USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0435) USER MOD Single : A 2 ASN : amide:sc= -0.958 K(o=-0.96,f=-2.5!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.125 (180deg=-0.677) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 33:sc= 1.26 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -176:sc= 0 (180deg=-0.00963) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 19:sc= 0.701 USER MOD Single : A 17 GLN : amide:sc=-0.000353 K(o=-0.00035,f=-0.98) USER MOD Single : A 19 ASN : amide:sc= -0.751 K(o=-0.75,f=0) USER MOD Single : A 20 SER OG : rot 66:sc= 1.24 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 1.06 (180deg=-0.11) USER MOD Single : A 31 THR OG1 : rot 21:sc= 0.768 USER MOD Single : A 32 SER OG : rot 55:sc= 0.0419 USER MOD Single : A 42 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=-0.00087) USER MOD Single : A 49 MET CE :methyl 179:sc= 0 (180deg=-0.0012) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 20:sc= 0.988 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.03 K(o=-1,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 1.055 13.271 -1.245 1.00 20.00 N ATOM 2 CA MET A -7 1.112 11.801 -1.089 1.00 20.00 C ATOM 3 C MET A -7 1.495 11.421 0.336 1.00 20.00 C ATOM 4 O MET A -7 2.602 10.942 0.590 1.00 20.00 O ATOM 5 CB MET A -7 2.110 11.195 -2.083 1.00 20.00 C ATOM 6 CG MET A -7 1.642 11.259 -3.526 1.00 20.00 C ATOM 7 SD MET A -7 0.077 10.402 -3.778 1.00 20.00 S ATOM 8 CE MET A -7 -0.213 10.727 -5.514 1.00 20.00 C ATOM 0 H1 MET A -7 0.727 13.506 -2.203 1.00 20.00 H new ATOM 0 H2 MET A -7 0.396 13.669 -0.546 1.00 20.00 H new ATOM 0 H3 MET A -7 2.002 13.673 -1.095 1.00 20.00 H new ATOM 0 HA MET A -7 0.120 11.400 -1.297 1.00 20.00 H new ATOM 0 HB2 MET A -7 3.062 11.718 -1.995 1.00 20.00 H new ATOM 0 HB3 MET A -7 2.292 10.154 -1.814 1.00 20.00 H new ATOM 0 HG2 MET A -7 1.534 12.302 -3.825 1.00 20.00 H new ATOM 0 HG3 MET A -7 2.402 10.819 -4.172 1.00 20.00 H new ATOM 0 HE1 MET A -7 -1.149 10.259 -5.820 1.00 20.00 H new ATOM 0 HE2 MET A -7 -0.275 11.803 -5.677 1.00 20.00 H new ATOM 0 HE3 MET A -7 0.607 10.317 -6.103 1.00 20.00 H new ATOM 20 N ASP A -6 0.577 11.639 1.266 1.00 20.00 N ATOM 21 CA ASP A -6 0.797 11.281 2.661 1.00 20.00 C ATOM 22 C ASP A -6 -0.310 10.357 3.133 1.00 20.00 C ATOM 23 O ASP A -6 -1.125 9.900 2.330 1.00 20.00 O ATOM 24 CB ASP A -6 0.843 12.525 3.556 1.00 20.00 C ATOM 25 CG ASP A -6 2.026 13.421 3.264 1.00 20.00 C ATOM 26 OD1 ASP A -6 3.153 13.076 3.670 1.00 20.00 O ATOM 27 OD2 ASP A -6 1.836 14.481 2.629 1.00 20.00 O ATOM 0 H ASP A -6 -0.331 12.064 1.079 1.00 20.00 H new ATOM 0 HA ASP A -6 1.759 10.774 2.732 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -0.077 13.094 3.425 1.00 20.00 H new ATOM 0 HB3 ASP A -6 0.879 12.213 4.600 1.00 20.00 H new ATOM 32 N TYR A -5 -0.348 10.084 4.427 1.00 20.00 N ATOM 33 CA TYR A -5 -1.412 9.264 4.984 1.00 20.00 C ATOM 34 C TYR A -5 -2.730 10.033 4.955 1.00 20.00 C ATOM 35 O TYR A -5 -2.751 11.257 5.115 1.00 20.00 O ATOM 36 CB TYR A -5 -1.077 8.818 6.420 1.00 20.00 C ATOM 37 CG TYR A -5 -0.937 9.948 7.427 1.00 20.00 C ATOM 38 CD1 TYR A -5 -2.057 10.509 8.032 1.00 20.00 C ATOM 39 CD2 TYR A -5 0.312 10.439 7.785 1.00 20.00 C ATOM 40 CE1 TYR A -5 -1.937 11.526 8.956 1.00 20.00 C ATOM 41 CE2 TYR A -5 0.440 11.455 8.715 1.00 20.00 C ATOM 42 CZ TYR A -5 -0.689 11.994 9.297 1.00 20.00 C ATOM 43 OH TYR A -5 -0.570 13.003 10.229 1.00 20.00 O ATOM 0 H TYR A -5 0.338 10.414 5.106 1.00 20.00 H new ATOM 0 HA TYR A -5 -1.511 8.367 4.373 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -1.857 8.139 6.765 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -0.146 8.251 6.401 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -3.039 10.141 7.773 1.00 20.00 H new ATOM 0 HD2 TYR A -5 1.198 10.021 7.330 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -2.819 11.953 9.410 1.00 20.00 H new ATOM 0 HE2 TYR A -5 1.419 11.824 8.984 1.00 20.00 H new ATOM 0 HH TYR A -5 -1.287 12.922 10.892 1.00 20.00 H new ATOM 53 N LYS A -4 -3.824 9.326 4.726 1.00 20.00 N ATOM 54 CA LYS A -4 -5.136 9.953 4.737 1.00 20.00 C ATOM 55 C LYS A -4 -5.825 9.692 6.067 1.00 20.00 C ATOM 56 O LYS A -4 -5.951 8.541 6.488 1.00 20.00 O ATOM 57 CB LYS A -4 -5.999 9.452 3.578 1.00 20.00 C ATOM 58 CG LYS A -4 -5.482 9.875 2.209 1.00 20.00 C ATOM 59 CD LYS A -4 -6.454 9.499 1.100 1.00 20.00 C ATOM 60 CE LYS A -4 -6.629 7.994 0.988 1.00 20.00 C ATOM 61 NZ LYS A -4 -7.619 7.628 -0.056 1.00 20.00 N ATOM 0 H LYS A -4 -3.831 8.325 4.531 1.00 20.00 H new ATOM 0 HA LYS A -4 -5.003 11.027 4.611 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -6.051 8.364 3.618 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -7.016 9.824 3.705 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -5.318 10.952 2.199 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -4.517 9.404 2.023 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -7.421 9.964 1.291 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -6.093 9.894 0.151 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -5.669 7.533 0.755 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -6.950 7.593 1.949 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -7.709 6.593 -0.101 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -8.542 8.046 0.179 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -7.300 7.988 -0.978 1.00 20.00 H new ATOM 75 N ASP A -3 -6.255 10.777 6.709 1.00 20.00 N ATOM 76 CA ASP A -3 -6.855 10.740 8.047 1.00 20.00 C ATOM 77 C ASP A -3 -5.798 10.384 9.093 1.00 20.00 C ATOM 78 O ASP A -3 -5.126 9.351 9.007 1.00 20.00 O ATOM 79 CB ASP A -3 -8.026 9.754 8.121 1.00 20.00 C ATOM 80 CG ASP A -3 -8.963 10.046 9.279 1.00 20.00 C ATOM 81 OD1 ASP A -3 -8.496 10.134 10.433 1.00 20.00 O ATOM 82 OD2 ASP A -3 -10.181 10.201 9.032 1.00 20.00 O ATOM 0 H ASP A -3 -6.197 11.716 6.314 1.00 20.00 H new ATOM 0 HA ASP A -3 -7.248 11.735 8.257 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -8.587 9.791 7.187 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -7.637 8.741 8.220 1.00 20.00 H new ATOM 87 N ASP A -2 -5.654 11.250 10.085 1.00 20.00 N ATOM 88 CA ASP A -2 -4.631 11.083 11.113 1.00 20.00 C ATOM 89 C ASP A -2 -5.006 9.962 12.070 1.00 20.00 C ATOM 90 O ASP A -2 -4.150 9.397 12.752 1.00 20.00 O ATOM 91 CB ASP A -2 -4.435 12.395 11.878 1.00 20.00 C ATOM 92 CG ASP A -2 -3.262 12.347 12.834 1.00 20.00 C ATOM 93 OD1 ASP A -2 -2.106 12.472 12.372 1.00 20.00 O ATOM 94 OD2 ASP A -2 -3.484 12.202 14.054 1.00 20.00 O ATOM 0 H ASP A -2 -6.235 12.080 10.202 1.00 20.00 H new ATOM 0 HA ASP A -2 -3.693 10.815 10.627 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -4.285 13.206 11.166 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -5.343 12.624 12.436 1.00 20.00 H new ATOM 99 N ASP A -1 -6.284 9.624 12.091 1.00 20.00 N ATOM 100 CA ASP A -1 -6.785 8.578 12.967 1.00 20.00 C ATOM 101 C ASP A -1 -7.308 7.417 12.143 1.00 20.00 C ATOM 102 O ASP A -1 -8.410 6.937 12.366 1.00 20.00 O ATOM 103 CB ASP A -1 -7.898 9.114 13.871 1.00 20.00 C ATOM 104 CG ASP A -1 -7.403 10.165 14.835 1.00 20.00 C ATOM 105 OD1 ASP A -1 -6.784 9.794 15.854 1.00 20.00 O ATOM 106 OD2 ASP A -1 -7.633 11.368 14.581 1.00 20.00 O ATOM 0 H ASP A -1 -6.997 10.062 11.508 1.00 20.00 H new ATOM 0 HA ASP A -1 -5.963 8.234 13.595 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -8.691 9.536 13.254 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -8.336 8.288 14.432 1.00 20.00 H new ATOM 111 N ASP A 0 -6.483 6.954 11.211 1.00 20.00 N ATOM 112 CA ASP A 0 -6.875 5.930 10.236 1.00 20.00 C ATOM 113 C ASP A 0 -7.417 4.659 10.895 1.00 20.00 C ATOM 114 O ASP A 0 -8.112 3.873 10.250 1.00 20.00 O ATOM 115 CB ASP A 0 -5.687 5.572 9.338 1.00 20.00 C ATOM 116 CG ASP A 0 -4.550 4.924 10.103 1.00 20.00 C ATOM 117 OD1 ASP A 0 -3.756 5.660 10.734 1.00 20.00 O ATOM 118 OD2 ASP A 0 -4.438 3.683 10.071 1.00 20.00 O ATOM 0 H ASP A 0 -5.521 7.275 11.106 1.00 20.00 H new ATOM 0 HA ASP A 0 -7.681 6.359 9.641 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -6.022 4.896 8.551 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -5.322 6.475 8.848 1.00 20.00 H new ATOM 123 N LYS A 1 -7.105 4.465 12.168 1.00 20.00 N ATOM 124 CA LYS A 1 -7.558 3.292 12.905 1.00 20.00 C ATOM 125 C LYS A 1 -9.086 3.274 13.054 1.00 20.00 C ATOM 126 O LYS A 1 -9.717 2.226 12.910 1.00 20.00 O ATOM 127 CB LYS A 1 -6.878 3.253 14.278 1.00 20.00 C ATOM 128 CG LYS A 1 -7.412 2.179 15.208 1.00 20.00 C ATOM 129 CD LYS A 1 -6.612 2.105 16.502 1.00 20.00 C ATOM 130 CE LYS A 1 -6.601 3.433 17.254 1.00 20.00 C ATOM 131 NZ LYS A 1 -7.968 3.872 17.643 1.00 20.00 N ATOM 0 H LYS A 1 -6.536 5.110 12.716 1.00 20.00 H new ATOM 0 HA LYS A 1 -7.279 2.402 12.340 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -5.809 3.096 14.137 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -6.997 4.225 14.757 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -8.458 2.384 15.438 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -7.380 1.213 14.705 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -7.033 1.331 17.143 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -5.587 1.809 16.276 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -5.984 3.337 18.148 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -6.140 4.198 16.629 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -7.904 4.733 18.223 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -8.525 4.071 16.788 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -8.432 3.119 18.190 1.00 20.00 H new ATOM 145 N ASN A 2 -9.681 4.430 13.320 1.00 20.00 N ATOM 146 CA ASN A 2 -11.132 4.515 13.513 1.00 20.00 C ATOM 147 C ASN A 2 -11.724 5.683 12.732 1.00 20.00 C ATOM 148 O ASN A 2 -12.832 5.585 12.194 1.00 20.00 O ATOM 149 CB ASN A 2 -11.471 4.649 15.004 1.00 20.00 C ATOM 150 CG ASN A 2 -12.950 4.894 15.249 1.00 20.00 C ATOM 151 OD1 ASN A 2 -13.396 6.036 15.315 1.00 20.00 O ATOM 152 ND2 ASN A 2 -13.717 3.825 15.390 1.00 20.00 N ATOM 0 H ASN A 2 -9.189 5.319 13.408 1.00 20.00 H new ATOM 0 HA ASN A 2 -11.573 3.593 13.133 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -11.166 3.741 15.525 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -10.895 5.470 15.431 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -14.717 3.934 15.560 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -13.308 2.892 15.328 1.00 20.00 H new ATOM 159 N ARG A 3 -10.965 6.777 12.676 1.00 20.00 N ATOM 160 CA ARG A 3 -11.319 7.988 11.928 1.00 20.00 C ATOM 161 C ARG A 3 -12.440 8.764 12.609 1.00 20.00 C ATOM 162 O ARG A 3 -12.262 9.928 12.974 1.00 20.00 O ATOM 163 CB ARG A 3 -11.691 7.658 10.476 1.00 20.00 C ATOM 164 CG ARG A 3 -10.596 6.917 9.721 1.00 20.00 C ATOM 165 CD ARG A 3 -10.945 6.758 8.253 1.00 20.00 C ATOM 166 NE ARG A 3 -11.089 8.052 7.588 1.00 20.00 N ATOM 167 CZ ARG A 3 -11.482 8.200 6.325 1.00 20.00 C ATOM 168 NH1 ARG A 3 -11.758 7.135 5.583 1.00 20.00 N ATOM 169 NH2 ARG A 3 -11.592 9.413 5.799 1.00 20.00 N ATOM 0 H ARG A 3 -10.069 6.850 13.158 1.00 20.00 H new ATOM 0 HA ARG A 3 -10.435 8.626 11.915 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -12.598 7.053 10.470 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -11.922 8.584 9.949 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -9.655 7.460 9.816 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -10.444 5.935 10.169 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -10.168 6.177 7.755 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -11.874 6.195 8.159 1.00 20.00 H new ATOM 0 HE ARG A 3 -10.875 8.893 8.125 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -11.669 6.200 5.980 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -12.059 7.252 4.615 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -11.375 10.235 6.363 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -11.893 9.524 4.831 1.00 20.00 H new ATOM 183 N ALA A 4 -13.579 8.117 12.778 1.00 20.00 N ATOM 184 CA ALA A 4 -14.731 8.723 13.420 1.00 20.00 C ATOM 185 C ALA A 4 -15.743 7.643 13.776 1.00 20.00 C ATOM 186 O ALA A 4 -16.267 6.964 12.892 1.00 20.00 O ATOM 187 CB ALA A 4 -15.365 9.765 12.510 1.00 20.00 C ATOM 0 H ALA A 4 -13.731 7.155 12.474 1.00 20.00 H new ATOM 0 HA ALA A 4 -14.406 9.223 14.332 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -16.227 10.208 13.009 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -14.636 10.544 12.285 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -15.687 9.291 11.583 1.00 20.00 H new ATOM 193 N LEU A 5 -15.999 7.461 15.063 1.00 20.00 N ATOM 194 CA LEU A 5 -16.943 6.448 15.506 1.00 20.00 C ATOM 195 C LEU A 5 -18.359 7.003 15.456 1.00 20.00 C ATOM 196 O LEU A 5 -19.331 6.264 15.277 1.00 20.00 O ATOM 197 CB LEU A 5 -16.591 5.969 16.917 1.00 20.00 C ATOM 198 CG LEU A 5 -17.392 4.768 17.421 1.00 20.00 C ATOM 199 CD1 LEU A 5 -17.237 3.582 16.480 1.00 20.00 C ATOM 200 CD2 LEU A 5 -16.946 4.394 18.823 1.00 20.00 C ATOM 0 H LEU A 5 -15.568 7.999 15.815 1.00 20.00 H new ATOM 0 HA LEU A 5 -16.884 5.590 14.837 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -15.532 5.714 16.942 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -16.736 6.798 17.610 1.00 20.00 H new ATOM 0 HG LEU A 5 -18.446 5.043 17.449 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -17.815 2.739 16.859 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -17.599 3.854 15.489 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -16.185 3.302 16.418 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -17.523 3.538 19.172 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -15.887 4.138 18.812 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -17.108 5.238 19.494 1.00 20.00 H new ATOM 212 N SER A 6 -18.459 8.311 15.618 1.00 20.00 N ATOM 213 CA SER A 6 -19.706 9.025 15.424 1.00 20.00 C ATOM 214 C SER A 6 -19.470 10.135 14.403 1.00 20.00 C ATOM 215 O SER A 6 -19.369 11.309 14.759 1.00 20.00 O ATOM 216 CB SER A 6 -20.195 9.613 16.749 1.00 20.00 C ATOM 217 OG SER A 6 -20.088 8.663 17.801 1.00 20.00 O ATOM 0 H SER A 6 -17.677 8.907 15.888 1.00 20.00 H new ATOM 0 HA SER A 6 -20.473 8.342 15.059 1.00 20.00 H new ATOM 0 HB2 SER A 6 -19.610 10.500 16.995 1.00 20.00 H new ATOM 0 HB3 SER A 6 -21.232 9.933 16.648 1.00 20.00 H new ATOM 0 HG SER A 6 -20.405 9.064 18.637 1.00 20.00 H new ATOM 223 N PRO A 7 -19.358 9.770 13.114 1.00 20.00 N ATOM 224 CA PRO A 7 -18.947 10.702 12.066 1.00 20.00 C ATOM 225 C PRO A 7 -20.001 11.760 11.772 1.00 20.00 C ATOM 226 O PRO A 7 -19.665 12.886 11.395 1.00 20.00 O ATOM 227 CB PRO A 7 -18.724 9.816 10.828 1.00 20.00 C ATOM 228 CG PRO A 7 -18.847 8.401 11.300 1.00 20.00 C ATOM 229 CD PRO A 7 -19.640 8.433 12.576 1.00 20.00 C ATOM 0 HA PRO A 7 -18.059 11.258 12.367 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -19.461 10.034 10.055 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -17.742 9.997 10.392 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -19.346 7.786 10.551 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -17.863 7.963 11.468 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -20.705 8.290 12.392 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -19.327 7.648 13.264 1.00 20.00 H new ATOM 237 N MET A 8 -21.270 11.382 11.948 1.00 20.00 N ATOM 238 CA MET A 8 -22.419 12.248 11.656 1.00 20.00 C ATOM 239 C MET A 8 -22.592 12.429 10.149 1.00 20.00 C ATOM 240 O MET A 8 -23.704 12.352 9.629 1.00 20.00 O ATOM 241 CB MET A 8 -22.294 13.606 12.357 1.00 20.00 C ATOM 242 CG MET A 8 -22.339 13.516 13.875 1.00 20.00 C ATOM 243 SD MET A 8 -22.256 15.128 14.678 1.00 20.00 S ATOM 244 CE MET A 8 -20.658 15.706 14.107 1.00 20.00 C ATOM 0 H MET A 8 -21.532 10.461 12.299 1.00 20.00 H new ATOM 0 HA MET A 8 -23.310 11.757 12.048 1.00 20.00 H new ATOM 0 HB2 MET A 8 -21.357 14.075 12.057 1.00 20.00 H new ATOM 0 HB3 MET A 8 -23.099 14.257 12.016 1.00 20.00 H new ATOM 0 HG2 MET A 8 -23.258 13.013 14.177 1.00 20.00 H new ATOM 0 HG3 MET A 8 -21.509 12.900 14.222 1.00 20.00 H new ATOM 0 HE1 MET A 8 -20.307 16.508 14.757 1.00 20.00 H new ATOM 0 HE2 MET A 8 -19.944 14.883 14.129 1.00 20.00 H new ATOM 0 HE3 MET A 8 -20.749 16.080 13.087 1.00 20.00 H new ATOM 254 N VAL A 9 -21.489 12.670 9.458 1.00 20.00 N ATOM 255 CA VAL A 9 -21.479 12.707 8.008 1.00 20.00 C ATOM 256 C VAL A 9 -21.385 11.282 7.466 1.00 20.00 C ATOM 257 O VAL A 9 -20.723 10.433 8.070 1.00 20.00 O ATOM 258 CB VAL A 9 -20.304 13.564 7.470 1.00 20.00 C ATOM 259 CG1 VAL A 9 -18.959 12.999 7.915 1.00 20.00 C ATOM 260 CG2 VAL A 9 -20.362 13.682 5.952 1.00 20.00 C ATOM 0 H VAL A 9 -20.580 12.845 9.886 1.00 20.00 H new ATOM 0 HA VAL A 9 -22.406 13.170 7.668 1.00 20.00 H new ATOM 0 HB VAL A 9 -20.406 14.564 7.893 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -18.155 13.621 7.522 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -18.911 12.989 9.004 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -18.848 11.982 7.537 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -19.526 14.288 5.602 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -20.301 12.689 5.507 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -21.300 14.154 5.659 1.00 20.00 H new ATOM 270 N SER A 10 -22.068 11.030 6.350 1.00 20.00 N ATOM 271 CA SER A 10 -22.130 9.702 5.735 1.00 20.00 C ATOM 272 C SER A 10 -22.997 8.757 6.573 1.00 20.00 C ATOM 273 O SER A 10 -22.899 8.736 7.801 1.00 20.00 O ATOM 274 CB SER A 10 -20.719 9.132 5.536 1.00 20.00 C ATOM 275 OG SER A 10 -19.905 10.047 4.815 1.00 20.00 O ATOM 0 H SER A 10 -22.596 11.742 5.845 1.00 20.00 H new ATOM 0 HA SER A 10 -22.594 9.798 4.753 1.00 20.00 H new ATOM 0 HB2 SER A 10 -20.267 8.921 6.505 1.00 20.00 H new ATOM 0 HB3 SER A 10 -20.776 8.186 4.998 1.00 20.00 H new ATOM 0 HG SER A 10 -19.009 9.667 4.699 1.00 20.00 H new ATOM 281 N GLU A 11 -23.856 7.996 5.892 1.00 20.00 N ATOM 282 CA GLU A 11 -24.812 7.100 6.543 1.00 20.00 C ATOM 283 C GLU A 11 -25.841 7.890 7.351 1.00 20.00 C ATOM 284 O GLU A 11 -25.596 8.277 8.496 1.00 20.00 O ATOM 285 CB GLU A 11 -24.119 6.067 7.442 1.00 20.00 C ATOM 286 CG GLU A 11 -23.436 4.933 6.689 1.00 20.00 C ATOM 287 CD GLU A 11 -22.120 5.333 6.051 1.00 20.00 C ATOM 288 OE1 GLU A 11 -21.077 5.238 6.731 1.00 20.00 O ATOM 289 OE2 GLU A 11 -22.120 5.718 4.863 1.00 20.00 O ATOM 0 H GLU A 11 -23.908 7.984 4.873 1.00 20.00 H new ATOM 0 HA GLU A 11 -25.325 6.558 5.748 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -23.377 6.578 8.056 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -24.857 5.642 8.122 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -23.260 4.106 7.377 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -24.109 4.566 5.914 1.00 20.00 H new ATOM 296 N PHE A 12 -26.992 8.133 6.740 1.00 20.00 N ATOM 297 CA PHE A 12 -28.073 8.872 7.386 1.00 20.00 C ATOM 298 C PHE A 12 -28.832 7.990 8.376 1.00 20.00 C ATOM 299 O PHE A 12 -29.986 7.631 8.138 1.00 20.00 O ATOM 300 CB PHE A 12 -29.052 9.425 6.348 1.00 20.00 C ATOM 301 CG PHE A 12 -28.462 10.459 5.429 1.00 20.00 C ATOM 302 CD1 PHE A 12 -28.327 11.775 5.843 1.00 20.00 C ATOM 303 CD2 PHE A 12 -28.053 10.119 4.147 1.00 20.00 C ATOM 304 CE1 PHE A 12 -27.795 12.729 4.999 1.00 20.00 C ATOM 305 CE2 PHE A 12 -27.522 11.071 3.302 1.00 20.00 C ATOM 306 CZ PHE A 12 -27.393 12.377 3.727 1.00 20.00 C ATOM 0 H PHE A 12 -27.204 7.827 5.790 1.00 20.00 H new ATOM 0 HA PHE A 12 -27.618 9.701 7.929 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -29.433 8.598 5.748 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -29.905 9.862 6.867 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -28.642 12.057 6.837 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -28.152 9.098 3.808 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -27.693 13.751 5.334 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -27.207 10.794 2.307 1.00 20.00 H new ATOM 0 HZ PHE A 12 -26.978 13.123 3.065 1.00 20.00 H new ATOM 316 N GLU A 13 -28.166 7.649 9.475 1.00 20.00 N ATOM 317 CA GLU A 13 -28.753 6.834 10.539 1.00 20.00 C ATOM 318 C GLU A 13 -29.187 5.466 10.012 1.00 20.00 C ATOM 319 O GLU A 13 -30.347 5.269 9.647 1.00 20.00 O ATOM 320 CB GLU A 13 -29.939 7.559 11.187 1.00 20.00 C ATOM 321 CG GLU A 13 -30.521 6.824 12.385 1.00 20.00 C ATOM 322 CD GLU A 13 -29.505 6.620 13.489 1.00 20.00 C ATOM 323 OE1 GLU A 13 -28.801 5.590 13.473 1.00 20.00 O ATOM 324 OE2 GLU A 13 -29.402 7.495 14.376 1.00 20.00 O ATOM 0 H GLU A 13 -27.202 7.929 9.655 1.00 20.00 H new ATOM 0 HA GLU A 13 -27.986 6.676 11.298 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.619 8.553 11.501 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -30.721 7.697 10.441 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.369 7.386 12.775 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -30.902 5.855 12.063 1.00 20.00 H new ATOM 331 N THR A 14 -28.241 4.533 9.987 1.00 20.00 N ATOM 332 CA THR A 14 -28.472 3.160 9.527 1.00 20.00 C ATOM 333 C THR A 14 -29.115 3.118 8.141 1.00 20.00 C ATOM 334 O THR A 14 -30.337 3.008 8.000 1.00 20.00 O ATOM 335 CB THR A 14 -29.302 2.322 10.538 1.00 20.00 C ATOM 336 OG1 THR A 14 -30.504 3.008 10.924 1.00 20.00 O ATOM 337 CG2 THR A 14 -28.476 2.004 11.773 1.00 20.00 C ATOM 0 H THR A 14 -27.282 4.706 10.288 1.00 20.00 H new ATOM 0 HA THR A 14 -27.485 2.703 9.456 1.00 20.00 H new ATOM 0 HB THR A 14 -29.580 1.392 10.042 1.00 20.00 H new ATOM 0 HG1 THR A 14 -30.710 3.703 10.265 1.00 20.00 H new ATOM 0 HG21 THR A 14 -29.074 1.417 12.470 1.00 20.00 H new ATOM 0 HG22 THR A 14 -27.593 1.435 11.483 1.00 20.00 H new ATOM 0 HG23 THR A 14 -28.167 2.933 12.253 1.00 20.00 H new ATOM 345 N ILE A 15 -28.272 3.204 7.122 1.00 20.00 N ATOM 346 CA ILE A 15 -28.712 3.125 5.740 1.00 20.00 C ATOM 347 C ILE A 15 -29.414 1.793 5.479 1.00 20.00 C ATOM 348 O ILE A 15 -28.858 0.723 5.743 1.00 20.00 O ATOM 349 CB ILE A 15 -27.517 3.282 4.774 1.00 20.00 C ATOM 350 CG1 ILE A 15 -26.906 4.683 4.892 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.937 3.005 3.341 1.00 20.00 C ATOM 352 CD1 ILE A 15 -27.818 5.794 4.419 1.00 20.00 C ATOM 0 H ILE A 15 -27.266 3.330 7.232 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.414 3.940 5.563 1.00 20.00 H new ATOM 0 HB ILE A 15 -26.760 2.550 5.054 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -26.638 4.865 5.933 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -25.982 4.715 4.315 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -27.078 3.122 2.681 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.318 1.987 3.264 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.718 3.707 3.048 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -27.313 6.753 4.535 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -28.066 5.639 3.369 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -28.733 5.791 5.012 1.00 20.00 H new ATOM 364 N GLU A 16 -30.642 1.876 4.976 1.00 20.00 N ATOM 365 CA GLU A 16 -31.467 0.697 4.725 1.00 20.00 C ATOM 366 C GLU A 16 -30.848 -0.210 3.666 1.00 20.00 C ATOM 367 O GLU A 16 -31.108 -1.411 3.637 1.00 20.00 O ATOM 368 CB GLU A 16 -32.876 1.118 4.296 1.00 20.00 C ATOM 369 CG GLU A 16 -32.919 1.943 3.017 1.00 20.00 C ATOM 370 CD GLU A 16 -34.330 2.301 2.611 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.993 1.463 1.967 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.789 3.418 2.943 1.00 20.00 O ATOM 0 H GLU A 16 -31.092 2.758 4.732 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.526 0.132 5.655 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -33.484 0.224 4.159 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.332 1.693 5.102 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.341 2.856 3.157 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.442 1.385 2.211 1.00 20.00 H new ATOM 379 N GLN A 17 -30.021 0.367 2.803 1.00 20.00 N ATOM 380 CA GLN A 17 -29.339 -0.401 1.763 1.00 20.00 C ATOM 381 C GLN A 17 -28.349 -1.383 2.382 1.00 20.00 C ATOM 382 O GLN A 17 -28.039 -2.417 1.795 1.00 20.00 O ATOM 383 CB GLN A 17 -28.605 0.530 0.793 1.00 20.00 C ATOM 384 CG GLN A 17 -29.518 1.493 0.049 1.00 20.00 C ATOM 385 CD GLN A 17 -28.742 2.498 -0.782 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.610 2.855 -0.444 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.340 2.967 -1.866 1.00 20.00 N ATOM 0 H GLN A 17 -29.805 1.364 2.801 1.00 20.00 H new ATOM 0 HA GLN A 17 -30.094 -0.960 1.210 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.863 1.104 1.348 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.062 -0.074 0.066 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -30.187 0.928 -0.600 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -30.144 2.024 0.766 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -30.277 2.646 -2.111 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.864 3.649 -2.456 1.00 20.00 H new ATOM 396 N GLU A 18 -27.887 -1.069 3.591 1.00 20.00 N ATOM 397 CA GLU A 18 -26.914 -1.907 4.291 1.00 20.00 C ATOM 398 C GLU A 18 -27.572 -3.211 4.745 1.00 20.00 C ATOM 399 O GLU A 18 -26.912 -4.122 5.239 1.00 20.00 O ATOM 400 CB GLU A 18 -26.340 -1.157 5.500 1.00 20.00 C ATOM 401 CG GLU A 18 -25.090 -1.789 6.097 1.00 20.00 C ATOM 402 CD GLU A 18 -23.869 -1.631 5.211 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.219 -0.566 5.276 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.550 -2.565 4.447 1.00 20.00 O ATOM 0 H GLU A 18 -28.172 -0.237 4.108 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.099 -2.143 3.606 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.108 -0.135 5.201 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.107 -1.097 6.273 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.889 -1.337 7.068 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.272 -2.850 6.270 1.00 20.00 H new ATOM 411 N ASN A 19 -28.885 -3.299 4.574 1.00 20.00 N ATOM 412 CA ASN A 19 -29.608 -4.538 4.847 1.00 20.00 C ATOM 413 C ASN A 19 -29.209 -5.605 3.837 1.00 20.00 C ATOM 414 O ASN A 19 -29.324 -6.800 4.102 1.00 20.00 O ATOM 415 CB ASN A 19 -31.125 -4.320 4.810 1.00 20.00 C ATOM 416 CG ASN A 19 -31.690 -3.814 6.126 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.843 -4.084 6.459 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.889 -3.085 6.889 1.00 20.00 N ATOM 0 H ASN A 19 -29.471 -2.530 4.248 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.341 -4.870 5.850 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.364 -3.606 4.021 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.614 -5.259 4.549 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.223 -2.728 7.784 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.938 -2.881 6.581 1.00 20.00 H new ATOM 425 N SER A 20 -28.709 -5.164 2.687 1.00 20.00 N ATOM 426 CA SER A 20 -28.263 -6.077 1.645 1.00 20.00 C ATOM 427 C SER A 20 -26.982 -6.785 2.086 1.00 20.00 C ATOM 428 O SER A 20 -26.647 -7.858 1.588 1.00 20.00 O ATOM 429 CB SER A 20 -28.038 -5.317 0.332 1.00 20.00 C ATOM 430 OG SER A 20 -27.832 -6.210 -0.750 1.00 20.00 O ATOM 0 H SER A 20 -28.603 -4.177 2.454 1.00 20.00 H new ATOM 0 HA SER A 20 -29.035 -6.828 1.476 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.900 -4.683 0.124 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.175 -4.659 0.433 1.00 20.00 H new ATOM 0 HG SER A 20 -28.654 -6.718 -0.916 1.00 20.00 H new ATOM 436 N TYR A 21 -26.288 -6.185 3.049 1.00 20.00 N ATOM 437 CA TYR A 21 -25.079 -6.769 3.623 1.00 20.00 C ATOM 438 C TYR A 21 -25.393 -8.125 4.250 1.00 20.00 C ATOM 439 O TYR A 21 -24.569 -9.041 4.234 1.00 20.00 O ATOM 440 CB TYR A 21 -24.500 -5.808 4.668 1.00 20.00 C ATOM 441 CG TYR A 21 -23.283 -6.323 5.406 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.029 -6.314 4.811 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.389 -6.803 6.706 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.917 -6.772 5.489 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.280 -7.260 7.391 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.048 -7.243 6.779 1.00 20.00 C ATOM 447 OH TYR A 21 -19.939 -7.698 7.459 1.00 20.00 O ATOM 0 H TYR A 21 -26.546 -5.284 3.452 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.341 -6.925 2.836 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.238 -4.873 4.174 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.277 -5.576 5.397 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.922 -5.943 3.802 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.355 -6.819 7.189 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.948 -6.762 5.011 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.379 -7.629 8.401 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.203 -7.994 8.355 1.00 20.00 H new ATOM 457 N ASN A 22 -26.609 -8.253 4.773 1.00 20.00 N ATOM 458 CA ASN A 22 -27.062 -9.499 5.386 1.00 20.00 C ATOM 459 C ASN A 22 -27.169 -10.603 4.339 1.00 20.00 C ATOM 460 O ASN A 22 -26.949 -11.778 4.638 1.00 20.00 O ATOM 461 CB ASN A 22 -28.415 -9.297 6.077 1.00 20.00 C ATOM 462 CG ASN A 22 -28.909 -10.548 6.787 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.605 -11.378 6.200 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.561 -10.690 8.057 1.00 20.00 N ATOM 0 H ASN A 22 -27.302 -7.505 4.785 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.328 -9.797 6.134 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.331 -8.485 6.799 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.153 -8.990 5.336 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.871 -11.508 8.582 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.983 -9.982 8.510 1.00 20.00 H new ATOM 471 N GLU A 23 -27.479 -10.216 3.107 1.00 20.00 N ATOM 472 CA GLU A 23 -27.599 -11.169 2.012 1.00 20.00 C ATOM 473 C GLU A 23 -26.242 -11.792 1.711 1.00 20.00 C ATOM 474 O GLU A 23 -26.131 -13.001 1.510 1.00 20.00 O ATOM 475 CB GLU A 23 -28.152 -10.491 0.757 1.00 20.00 C ATOM 476 CG GLU A 23 -29.523 -9.862 0.948 1.00 20.00 C ATOM 477 CD GLU A 23 -30.047 -9.223 -0.320 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.643 -8.084 -0.632 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.865 -9.859 -1.016 1.00 20.00 O ATOM 0 H GLU A 23 -27.652 -9.246 2.842 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.295 -11.952 2.315 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.452 -9.721 0.434 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.209 -11.226 -0.046 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.226 -10.624 1.284 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.468 -9.110 1.735 1.00 20.00 H new ATOM 486 N TRP A 24 -25.209 -10.958 1.716 1.00 20.00 N ATOM 487 CA TRP A 24 -23.845 -11.416 1.478 1.00 20.00 C ATOM 488 C TRP A 24 -23.375 -12.313 2.619 1.00 20.00 C ATOM 489 O TRP A 24 -22.491 -13.154 2.448 1.00 20.00 O ATOM 490 CB TRP A 24 -22.897 -10.223 1.320 1.00 20.00 C ATOM 491 CG TRP A 24 -23.187 -9.385 0.110 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.230 -8.523 -0.058 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.419 -9.323 -1.099 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.170 -7.943 -1.300 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.063 -8.412 -1.955 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.250 -9.952 -1.542 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.579 -8.114 -3.228 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.770 -9.653 -2.804 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.433 -8.741 -3.633 1.00 20.00 C ATOM 0 H TRP A 24 -25.291 -9.955 1.883 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.835 -11.994 0.554 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.962 -9.597 2.210 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.872 -10.589 1.262 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.993 -8.325 0.680 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.841 -7.272 -1.674 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.732 -10.658 -0.910 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.091 -7.413 -3.871 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.868 -10.132 -3.156 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.031 -8.528 -4.613 1.00 20.00 H new ATOM 510 N LEU A 25 -23.970 -12.125 3.788 1.00 20.00 N ATOM 511 CA LEU A 25 -23.670 -12.964 4.936 1.00 20.00 C ATOM 512 C LEU A 25 -24.344 -14.321 4.781 1.00 20.00 C ATOM 513 O LEU A 25 -23.710 -15.363 4.943 1.00 20.00 O ATOM 514 CB LEU A 25 -24.131 -12.290 6.232 1.00 20.00 C ATOM 515 CG LEU A 25 -23.491 -10.931 6.532 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.018 -10.375 7.847 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.973 -11.046 6.575 1.00 20.00 C ATOM 0 H LEU A 25 -24.663 -11.398 3.965 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.591 -13.108 4.988 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.213 -12.161 6.189 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.923 -12.962 7.065 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.759 -10.243 5.730 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.554 -9.409 8.046 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.099 -10.251 7.783 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.779 -11.066 8.656 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.540 -10.069 6.789 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.683 -11.750 7.355 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.608 -11.401 5.611 1.00 20.00 H new ATOM 529 N ARG A 26 -25.625 -14.300 4.429 1.00 20.00 N ATOM 530 CA ARG A 26 -26.394 -15.528 4.258 1.00 20.00 C ATOM 531 C ARG A 26 -25.871 -16.343 3.081 1.00 20.00 C ATOM 532 O ARG A 26 -25.971 -17.571 3.073 1.00 20.00 O ATOM 533 CB ARG A 26 -27.877 -15.213 4.065 1.00 20.00 C ATOM 534 CG ARG A 26 -28.551 -14.659 5.311 1.00 20.00 C ATOM 535 CD ARG A 26 -28.540 -15.668 6.453 1.00 20.00 C ATOM 536 NE ARG A 26 -29.201 -16.921 6.084 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.088 -18.062 6.767 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.349 -18.115 7.871 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.721 -19.150 6.344 1.00 20.00 N ATOM 0 H ARG A 26 -26.154 -13.445 4.256 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.278 -16.123 5.164 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.984 -14.493 3.254 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.395 -16.121 3.755 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.042 -13.748 5.625 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.580 -14.385 5.077 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.510 -15.874 6.745 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.038 -15.238 7.322 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.787 -16.922 5.249 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.864 -17.280 8.201 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.267 -18.990 8.388 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.292 -19.112 5.499 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -29.637 -20.024 6.864 1.00 20.00 H new ATOM 553 N ALA A 27 -25.317 -15.659 2.088 1.00 20.00 N ATOM 554 CA ALA A 27 -24.691 -16.327 0.957 1.00 20.00 C ATOM 555 C ALA A 27 -23.498 -17.150 1.421 1.00 20.00 C ATOM 556 O ALA A 27 -23.279 -18.270 0.959 1.00 20.00 O ATOM 557 CB ALA A 27 -24.263 -15.313 -0.091 1.00 20.00 C ATOM 0 H ALA A 27 -25.289 -14.640 2.044 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.421 -16.999 0.506 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.797 -15.831 -0.929 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.136 -14.764 -0.444 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.549 -14.616 0.347 1.00 20.00 H new ATOM 563 N LYS A 28 -22.742 -16.588 2.356 1.00 20.00 N ATOM 564 CA LYS A 28 -21.582 -17.270 2.913 1.00 20.00 C ATOM 565 C LYS A 28 -22.011 -18.420 3.814 1.00 20.00 C ATOM 566 O LYS A 28 -21.397 -19.486 3.804 1.00 20.00 O ATOM 567 CB LYS A 28 -20.694 -16.295 3.695 1.00 20.00 C ATOM 568 CG LYS A 28 -19.897 -15.345 2.810 1.00 20.00 C ATOM 569 CD LYS A 28 -18.873 -14.554 3.613 1.00 20.00 C ATOM 570 CE LYS A 28 -19.519 -13.460 4.457 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.085 -12.376 3.613 1.00 20.00 N ATOM 0 H LYS A 28 -22.912 -15.660 2.745 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.005 -17.674 2.081 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.319 -15.710 4.370 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.002 -16.865 4.315 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.389 -15.913 2.031 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.578 -14.656 2.309 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.321 -15.233 4.263 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.149 -14.105 2.933 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.309 -13.893 5.071 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.779 -13.041 5.139 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.094 -11.486 4.151 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.501 -12.259 2.760 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -21.057 -12.623 3.336 1.00 20.00 H new ATOM 585 N VAL A 29 -23.073 -18.203 4.581 1.00 20.00 N ATOM 586 CA VAL A 29 -23.596 -19.227 5.479 1.00 20.00 C ATOM 587 C VAL A 29 -24.091 -20.442 4.696 1.00 20.00 C ATOM 588 O VAL A 29 -23.952 -21.581 5.139 1.00 20.00 O ATOM 589 CB VAL A 29 -24.741 -18.677 6.357 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.317 -19.768 7.244 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.254 -17.510 7.200 1.00 20.00 C ATOM 0 H VAL A 29 -23.591 -17.324 4.599 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.775 -19.532 6.128 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.532 -18.322 5.697 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.122 -19.355 7.852 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.709 -20.573 6.622 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.535 -20.159 7.894 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.075 -17.136 7.812 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.442 -17.842 7.846 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.896 -16.714 6.547 1.00 20.00 H new ATOM 601 N ALA A 30 -24.657 -20.190 3.521 1.00 20.00 N ATOM 602 CA ALA A 30 -25.147 -21.263 2.662 1.00 20.00 C ATOM 603 C ALA A 30 -23.990 -22.113 2.144 1.00 20.00 C ATOM 604 O ALA A 30 -24.173 -23.270 1.766 1.00 20.00 O ATOM 605 CB ALA A 30 -25.946 -20.689 1.501 1.00 20.00 C ATOM 0 H ALA A 30 -24.788 -19.253 3.141 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.802 -21.903 3.253 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.305 -21.502 0.869 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.796 -20.127 1.887 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.310 -20.027 0.914 1.00 20.00 H new ATOM 611 N THR A 31 -22.802 -21.530 2.132 1.00 20.00 N ATOM 612 CA THR A 31 -21.609 -22.225 1.685 1.00 20.00 C ATOM 613 C THR A 31 -20.689 -22.525 2.867 1.00 20.00 C ATOM 614 O THR A 31 -19.539 -22.085 2.902 1.00 20.00 O ATOM 615 CB THR A 31 -20.852 -21.387 0.636 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.730 -20.035 1.092 1.00 20.00 O ATOM 617 CG2 THR A 31 -21.571 -21.413 -0.703 1.00 20.00 C ATOM 0 H THR A 31 -22.639 -20.568 2.430 1.00 20.00 H new ATOM 0 HA THR A 31 -21.918 -23.165 1.228 1.00 20.00 H new ATOM 0 HB THR A 31 -19.860 -21.819 0.503 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.833 -20.008 2.066 1.00 20.00 H new ATOM 0 HG21 THR A 31 -21.016 -20.814 -1.425 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.639 -22.441 -1.060 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.574 -21.003 -0.585 1.00 20.00 H new ATOM 625 N SER A 32 -21.212 -23.266 3.835 1.00 20.00 N ATOM 626 CA SER A 32 -20.467 -23.590 5.044 1.00 20.00 C ATOM 627 C SER A 32 -19.423 -24.676 4.782 1.00 20.00 C ATOM 628 O SER A 32 -19.627 -25.845 5.111 1.00 20.00 O ATOM 629 CB SER A 32 -21.438 -24.028 6.144 1.00 20.00 C ATOM 630 OG SER A 32 -22.428 -24.905 5.626 1.00 20.00 O ATOM 0 H SER A 32 -22.154 -23.656 3.806 1.00 20.00 H new ATOM 0 HA SER A 32 -19.933 -22.697 5.370 1.00 20.00 H new ATOM 0 HB2 SER A 32 -20.888 -24.525 6.943 1.00 20.00 H new ATOM 0 HB3 SER A 32 -21.916 -23.152 6.583 1.00 20.00 H new ATOM 0 HG SER A 32 -21.994 -25.658 5.174 1.00 20.00 H new ATOM 636 N LEU A 33 -18.310 -24.281 4.178 1.00 20.00 N ATOM 637 CA LEU A 33 -17.215 -25.203 3.907 1.00 20.00 C ATOM 638 C LEU A 33 -16.444 -25.482 5.195 1.00 20.00 C ATOM 639 O LEU A 33 -15.881 -26.560 5.377 1.00 20.00 O ATOM 640 CB LEU A 33 -16.280 -24.619 2.838 1.00 20.00 C ATOM 641 CG LEU A 33 -15.189 -25.566 2.326 1.00 20.00 C ATOM 642 CD1 LEU A 33 -15.797 -26.749 1.586 1.00 20.00 C ATOM 643 CD2 LEU A 33 -14.217 -24.819 1.424 1.00 20.00 C ATOM 0 H LEU A 33 -18.141 -23.325 3.865 1.00 20.00 H new ATOM 0 HA LEU A 33 -17.624 -26.141 3.531 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -16.884 -24.296 1.990 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -15.802 -23.729 3.246 1.00 20.00 H new ATOM 0 HG LEU A 33 -14.642 -25.949 3.188 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -15.001 -27.405 1.233 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.452 -27.302 2.260 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -16.374 -26.388 0.735 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -13.449 -25.506 1.069 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -14.756 -24.406 0.572 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -13.749 -24.010 1.985 1.00 20.00 H new ATOM 655 N ALA A 34 -16.444 -24.504 6.089 1.00 20.00 N ATOM 656 CA ALA A 34 -15.789 -24.643 7.380 1.00 20.00 C ATOM 657 C ALA A 34 -16.603 -25.551 8.292 1.00 20.00 C ATOM 658 O ALA A 34 -17.832 -25.456 8.344 1.00 20.00 O ATOM 659 CB ALA A 34 -15.597 -23.277 8.024 1.00 20.00 C ATOM 0 H ALA A 34 -16.894 -23.600 5.942 1.00 20.00 H new ATOM 0 HA ALA A 34 -14.809 -25.095 7.227 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -15.106 -23.396 8.990 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -14.980 -22.653 7.377 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -16.568 -22.802 8.167 1.00 20.00 H new ATOM 665 N ASP A 35 -15.915 -26.436 8.998 1.00 20.00 N ATOM 666 CA ASP A 35 -16.568 -27.367 9.910 1.00 20.00 C ATOM 667 C ASP A 35 -17.100 -26.629 11.129 1.00 20.00 C ATOM 668 O ASP A 35 -16.425 -25.755 11.677 1.00 20.00 O ATOM 669 CB ASP A 35 -15.594 -28.460 10.362 1.00 20.00 C ATOM 670 CG ASP A 35 -15.181 -29.387 9.237 1.00 20.00 C ATOM 671 OD1 ASP A 35 -15.940 -30.326 8.926 1.00 20.00 O ATOM 672 OD2 ASP A 35 -14.084 -29.191 8.667 1.00 20.00 O ATOM 0 H ASP A 35 -14.900 -26.530 8.957 1.00 20.00 H new ATOM 0 HA ASP A 35 -17.398 -27.831 9.378 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.705 -27.994 10.786 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -16.057 -29.045 11.156 1.00 20.00 H new ATOM 677 N PRO A 36 -18.330 -26.970 11.561 1.00 20.00 N ATOM 678 CA PRO A 36 -18.953 -26.366 12.745 1.00 20.00 C ATOM 679 C PRO A 36 -18.143 -26.622 14.011 1.00 20.00 C ATOM 680 O PRO A 36 -18.333 -25.928 15.010 1.00 20.00 O ATOM 681 CB PRO A 36 -20.330 -27.043 12.829 1.00 20.00 C ATOM 682 CG PRO A 36 -20.233 -28.260 11.975 1.00 20.00 C ATOM 683 CD PRO A 36 -19.210 -27.958 10.915 1.00 20.00 C ATOM 0 HA PRO A 36 -19.016 -25.281 12.662 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -20.575 -27.305 13.858 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -21.116 -26.377 12.474 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -19.935 -29.126 12.566 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -21.198 -28.497 11.527 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -18.661 -28.852 10.620 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -19.672 -27.556 10.014 1.00 20.00 H new ATOM 691 N ARG A 37 -17.250 -27.612 13.954 1.00 20.00 N ATOM 692 CA ARG A 37 -16.267 -27.863 15.009 1.00 20.00 C ATOM 693 C ARG A 37 -16.932 -28.199 16.344 1.00 20.00 C ATOM 694 O ARG A 37 -17.435 -27.313 17.038 1.00 20.00 O ATOM 695 CB ARG A 37 -15.340 -26.654 15.175 1.00 20.00 C ATOM 696 CG ARG A 37 -14.174 -26.900 16.121 1.00 20.00 C ATOM 697 CD ARG A 37 -13.263 -27.998 15.601 1.00 20.00 C ATOM 698 NE ARG A 37 -12.130 -28.244 16.488 1.00 20.00 N ATOM 699 CZ ARG A 37 -11.111 -29.045 16.185 1.00 20.00 C ATOM 700 NH1 ARG A 37 -11.097 -29.699 15.029 1.00 20.00 N ATOM 701 NH2 ARG A 37 -10.112 -29.201 17.043 1.00 20.00 N ATOM 0 H ARG A 37 -17.188 -28.264 13.172 1.00 20.00 H new ATOM 0 HA ARG A 37 -15.680 -28.729 14.704 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -14.949 -26.371 14.198 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -15.922 -25.809 15.543 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -13.603 -25.980 16.245 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -14.553 -27.175 17.105 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -13.836 -28.918 15.484 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -12.895 -27.724 14.612 1.00 20.00 H new ATOM 0 HE ARG A 37 -12.119 -27.774 17.393 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -11.868 -29.588 14.371 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -10.315 -30.312 14.799 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -10.124 -28.707 17.935 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -9.331 -29.815 16.811 1.00 20.00 H new ATOM 715 N PRO A 38 -16.918 -29.487 16.723 1.00 20.00 N ATOM 716 CA PRO A 38 -17.504 -29.956 17.984 1.00 20.00 C ATOM 717 C PRO A 38 -17.014 -29.145 19.180 1.00 20.00 C ATOM 718 O PRO A 38 -15.838 -28.770 19.242 1.00 20.00 O ATOM 719 CB PRO A 38 -17.019 -31.405 18.088 1.00 20.00 C ATOM 720 CG PRO A 38 -16.775 -31.825 16.680 1.00 20.00 C ATOM 721 CD PRO A 38 -16.316 -30.591 15.952 1.00 20.00 C ATOM 0 HA PRO A 38 -18.589 -29.857 17.992 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -16.110 -31.476 18.685 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -17.766 -32.039 18.566 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -16.020 -32.610 16.632 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -17.682 -32.228 16.230 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -15.229 -30.519 15.932 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -16.655 -30.588 14.916 1.00 20.00 H new ATOM 729 N ALA A 39 -17.932 -28.879 20.111 1.00 20.00 N ATOM 730 CA ALA A 39 -17.662 -28.074 21.304 1.00 20.00 C ATOM 731 C ALA A 39 -17.507 -26.595 20.958 1.00 20.00 C ATOM 732 O ALA A 39 -16.905 -26.238 19.942 1.00 20.00 O ATOM 733 CB ALA A 39 -16.442 -28.588 22.055 1.00 20.00 C ATOM 0 H ALA A 39 -18.892 -29.219 20.058 1.00 20.00 H new ATOM 0 HA ALA A 39 -18.525 -28.172 21.962 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -16.269 -27.969 22.935 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -16.613 -29.619 22.365 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -15.569 -28.545 21.404 1.00 20.00 H new ATOM 739 N ILE A 40 -18.055 -25.746 21.823 1.00 20.00 N ATOM 740 CA ILE A 40 -18.071 -24.299 21.623 1.00 20.00 C ATOM 741 C ILE A 40 -18.959 -23.924 20.437 1.00 20.00 C ATOM 742 O ILE A 40 -18.508 -23.888 19.289 1.00 20.00 O ATOM 743 CB ILE A 40 -16.661 -23.708 21.415 1.00 20.00 C ATOM 744 CG1 ILE A 40 -15.716 -24.167 22.529 1.00 20.00 C ATOM 745 CG2 ILE A 40 -16.738 -22.188 21.371 1.00 20.00 C ATOM 746 CD1 ILE A 40 -14.289 -23.698 22.343 1.00 20.00 C ATOM 0 H ILE A 40 -18.504 -26.044 22.689 1.00 20.00 H new ATOM 0 HA ILE A 40 -18.478 -23.870 22.539 1.00 20.00 H new ATOM 0 HB ILE A 40 -16.265 -24.068 20.465 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -16.089 -23.800 23.485 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -15.728 -25.256 22.579 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -15.739 -21.777 21.224 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -17.382 -21.880 20.547 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -17.148 -21.817 22.310 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -13.676 -24.060 23.169 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -13.898 -24.087 21.403 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -14.264 -22.608 22.323 1.00 20.00 H new ATOM 758 N PRO A 41 -20.243 -23.656 20.706 1.00 20.00 N ATOM 759 CA PRO A 41 -21.207 -23.265 19.677 1.00 20.00 C ATOM 760 C PRO A 41 -20.881 -21.892 19.094 1.00 20.00 C ATOM 761 O PRO A 41 -20.861 -20.890 19.815 1.00 20.00 O ATOM 762 CB PRO A 41 -22.552 -23.218 20.419 1.00 20.00 C ATOM 763 CG PRO A 41 -22.314 -23.866 21.741 1.00 20.00 C ATOM 764 CD PRO A 41 -20.853 -23.705 22.038 1.00 20.00 C ATOM 0 HA PRO A 41 -21.204 -23.958 18.836 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -22.893 -22.190 20.544 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -23.325 -23.745 19.860 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -22.921 -23.399 22.517 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -22.590 -24.920 21.711 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -20.655 -22.795 22.605 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -20.468 -24.538 22.627 1.00 20.00 H new ATOM 772 N HIS A 42 -20.635 -21.845 17.789 1.00 20.00 N ATOM 773 CA HIS A 42 -20.266 -20.598 17.129 1.00 20.00 C ATOM 774 C HIS A 42 -21.446 -19.638 17.079 1.00 20.00 C ATOM 775 O HIS A 42 -21.263 -18.421 17.097 1.00 20.00 O ATOM 776 CB HIS A 42 -19.733 -20.850 15.711 1.00 20.00 C ATOM 777 CG HIS A 42 -18.455 -21.631 15.680 1.00 20.00 C ATOM 778 ND1 HIS A 42 -18.191 -22.607 14.745 1.00 20.00 N ATOM 779 CD2 HIS A 42 -17.358 -21.567 16.473 1.00 20.00 C ATOM 780 CE1 HIS A 42 -16.993 -23.114 14.966 1.00 20.00 C ATOM 781 NE2 HIS A 42 -16.467 -22.499 16.007 1.00 20.00 N ATOM 0 H HIS A 42 -20.684 -22.653 17.169 1.00 20.00 H new ATOM 0 HA HIS A 42 -19.469 -20.144 17.718 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.490 -21.385 15.137 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -19.576 -19.892 15.216 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -17.213 -20.906 17.314 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -16.523 -23.899 14.392 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -15.545 -22.686 16.402 1.00 20.00 H new ATOM 790 N ASP A 43 -22.658 -20.187 17.052 1.00 20.00 N ATOM 791 CA ASP A 43 -23.859 -19.359 16.993 1.00 20.00 C ATOM 792 C ASP A 43 -24.058 -18.627 18.317 1.00 20.00 C ATOM 793 O ASP A 43 -24.634 -17.541 18.357 1.00 20.00 O ATOM 794 CB ASP A 43 -25.103 -20.194 16.640 1.00 20.00 C ATOM 795 CG ASP A 43 -25.632 -21.027 17.795 1.00 20.00 C ATOM 796 OD1 ASP A 43 -24.939 -21.973 18.226 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.765 -20.762 18.252 1.00 20.00 O ATOM 0 H ASP A 43 -22.834 -21.192 17.070 1.00 20.00 H new ATOM 0 HA ASP A 43 -23.724 -18.623 16.200 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -25.892 -19.525 16.296 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -24.861 -20.856 15.808 1.00 20.00 H new ATOM 802 N GLU A 44 -23.548 -19.217 19.392 1.00 20.00 N ATOM 803 CA GLU A 44 -23.600 -18.595 20.710 1.00 20.00 C ATOM 804 C GLU A 44 -22.580 -17.469 20.814 1.00 20.00 C ATOM 805 O GLU A 44 -22.808 -16.461 21.482 1.00 20.00 O ATOM 806 CB GLU A 44 -23.341 -19.632 21.803 1.00 20.00 C ATOM 807 CG GLU A 44 -24.511 -20.569 22.042 1.00 20.00 C ATOM 808 CD GLU A 44 -25.702 -19.860 22.646 1.00 20.00 C ATOM 809 OE1 GLU A 44 -25.664 -19.561 23.859 1.00 20.00 O ATOM 810 OE2 GLU A 44 -26.682 -19.599 21.919 1.00 20.00 O ATOM 0 H GLU A 44 -23.092 -20.129 19.376 1.00 20.00 H new ATOM 0 HA GLU A 44 -24.598 -18.178 20.847 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -22.464 -20.221 21.533 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -23.104 -19.116 22.733 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -24.805 -21.027 21.098 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -24.198 -21.376 22.704 1.00 20.00 H new ATOM 817 N VAL A 45 -21.454 -17.649 20.145 1.00 20.00 N ATOM 818 CA VAL A 45 -20.401 -16.646 20.141 1.00 20.00 C ATOM 819 C VAL A 45 -20.799 -15.465 19.263 1.00 20.00 C ATOM 820 O VAL A 45 -20.655 -14.304 19.652 1.00 20.00 O ATOM 821 CB VAL A 45 -19.064 -17.239 19.641 1.00 20.00 C ATOM 822 CG1 VAL A 45 -17.959 -16.195 19.665 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.675 -18.447 20.476 1.00 20.00 C ATOM 0 H VAL A 45 -21.244 -18.483 19.596 1.00 20.00 H new ATOM 0 HA VAL A 45 -20.263 -16.304 21.167 1.00 20.00 H new ATOM 0 HB VAL A 45 -19.201 -17.559 18.608 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -17.030 -16.640 19.308 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -18.233 -15.360 19.020 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -17.821 -15.835 20.684 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -17.731 -18.853 20.111 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -18.563 -18.148 21.518 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -19.451 -19.208 20.399 1.00 20.00 H new ATOM 833 N GLU A 46 -21.335 -15.780 18.090 1.00 20.00 N ATOM 834 CA GLU A 46 -21.743 -14.770 17.119 1.00 20.00 C ATOM 835 C GLU A 46 -22.835 -13.861 17.684 1.00 20.00 C ATOM 836 O GLU A 46 -22.784 -12.642 17.521 1.00 20.00 O ATOM 837 CB GLU A 46 -22.226 -15.450 15.834 1.00 20.00 C ATOM 838 CG GLU A 46 -22.596 -14.489 14.718 1.00 20.00 C ATOM 839 CD GLU A 46 -22.917 -15.205 13.425 1.00 20.00 C ATOM 840 OE1 GLU A 46 -23.872 -16.010 13.405 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.212 -14.974 12.421 1.00 20.00 O ATOM 0 H GLU A 46 -21.499 -16.739 17.785 1.00 20.00 H new ATOM 0 HA GLU A 46 -20.879 -14.146 16.893 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -21.444 -16.120 15.476 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -23.093 -16.068 16.068 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -23.457 -13.894 15.024 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -21.772 -13.795 14.551 1.00 20.00 H new ATOM 848 N ARG A 47 -23.810 -14.451 18.368 1.00 20.00 N ATOM 849 CA ARG A 47 -24.910 -13.678 18.940 1.00 20.00 C ATOM 850 C ARG A 47 -24.419 -12.806 20.093 1.00 20.00 C ATOM 851 O ARG A 47 -25.040 -11.798 20.432 1.00 20.00 O ATOM 852 CB ARG A 47 -26.036 -14.606 19.409 1.00 20.00 C ATOM 853 CG ARG A 47 -25.651 -15.498 20.577 1.00 20.00 C ATOM 854 CD ARG A 47 -26.701 -16.565 20.840 1.00 20.00 C ATOM 855 NE ARG A 47 -27.995 -15.997 21.207 1.00 20.00 N ATOM 856 CZ ARG A 47 -29.008 -16.714 21.687 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.855 -18.011 21.931 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.165 -16.125 21.953 1.00 20.00 N ATOM 0 H ARG A 47 -23.862 -15.455 18.540 1.00 20.00 H new ATOM 0 HA ARG A 47 -25.305 -13.024 18.162 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -26.897 -14.001 19.694 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -26.349 -15.232 18.574 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -24.692 -15.974 20.371 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.519 -14.889 21.472 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -26.818 -17.182 19.949 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.356 -17.221 21.639 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.130 -14.993 21.089 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.958 -18.462 21.750 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -29.635 -18.556 22.299 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -30.277 -15.124 21.790 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -30.943 -16.672 22.321 1.00 20.00 H new ATOM 872 N ARG A 48 -23.295 -13.188 20.686 1.00 20.00 N ATOM 873 CA ARG A 48 -22.695 -12.403 21.752 1.00 20.00 C ATOM 874 C ARG A 48 -21.895 -11.253 21.149 1.00 20.00 C ATOM 875 O ARG A 48 -21.774 -10.180 21.740 1.00 20.00 O ATOM 876 CB ARG A 48 -21.809 -13.290 22.632 1.00 20.00 C ATOM 877 CG ARG A 48 -21.220 -12.574 23.839 1.00 20.00 C ATOM 878 CD ARG A 48 -20.552 -13.552 24.795 1.00 20.00 C ATOM 879 NE ARG A 48 -19.474 -14.304 24.154 1.00 20.00 N ATOM 880 CZ ARG A 48 -19.341 -15.632 24.224 1.00 20.00 C ATOM 881 NH1 ARG A 48 -20.253 -16.370 24.850 1.00 20.00 N ATOM 882 NH2 ARG A 48 -18.299 -16.224 23.654 1.00 20.00 N ATOM 0 H ARG A 48 -22.782 -14.036 20.446 1.00 20.00 H new ATOM 0 HA ARG A 48 -23.481 -11.987 22.383 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -22.395 -14.142 22.978 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -20.995 -13.688 22.026 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -20.492 -11.835 23.505 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -22.008 -12.032 24.362 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -20.153 -13.006 25.650 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -21.298 -14.247 25.180 1.00 20.00 H new ATOM 0 HE ARG A 48 -18.780 -13.782 23.620 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -21.062 -15.923 25.282 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -20.144 -17.383 24.899 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -17.601 -15.666 23.163 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -18.196 -17.237 23.707 1.00 20.00 H new ATOM 896 N MET A 49 -21.374 -11.482 19.948 1.00 20.00 N ATOM 897 CA MET A 49 -20.666 -10.445 19.208 1.00 20.00 C ATOM 898 C MET A 49 -21.624 -9.330 18.816 1.00 20.00 C ATOM 899 O MET A 49 -21.225 -8.174 18.677 1.00 20.00 O ATOM 900 CB MET A 49 -20.009 -11.028 17.959 1.00 20.00 C ATOM 901 CG MET A 49 -18.908 -12.028 18.260 1.00 20.00 C ATOM 902 SD MET A 49 -17.542 -11.304 19.191 1.00 20.00 S ATOM 903 CE MET A 49 -16.433 -12.706 19.300 1.00 20.00 C ATOM 0 H MET A 49 -21.429 -12.379 19.466 1.00 20.00 H new ATOM 0 HA MET A 49 -19.888 -10.036 19.853 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.772 -11.513 17.351 1.00 20.00 H new ATOM 0 HB3 MET A 49 -19.596 -10.214 17.363 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.325 -12.862 18.825 1.00 20.00 H new ATOM 0 HG3 MET A 49 -18.528 -12.436 17.323 1.00 20.00 H new ATOM 0 HE1 MET A 49 -15.529 -12.414 19.834 1.00 20.00 H new ATOM 0 HE2 MET A 49 -16.925 -13.518 19.835 1.00 20.00 H new ATOM 0 HE3 MET A 49 -16.169 -13.040 18.297 1.00 20.00 H new ATOM 913 N ALA A 50 -22.891 -9.691 18.648 1.00 20.00 N ATOM 914 CA ALA A 50 -23.934 -8.725 18.327 1.00 20.00 C ATOM 915 C ALA A 50 -24.032 -7.657 19.408 1.00 20.00 C ATOM 916 O ALA A 50 -24.159 -6.468 19.110 1.00 20.00 O ATOM 917 CB ALA A 50 -25.271 -9.429 18.153 1.00 20.00 C ATOM 0 H ALA A 50 -23.222 -10.652 18.730 1.00 20.00 H new ATOM 0 HA ALA A 50 -23.672 -8.237 17.388 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -26.040 -8.695 17.914 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -25.197 -10.155 17.343 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -25.535 -9.943 19.078 1.00 20.00 H new ATOM 923 N GLU A 51 -23.954 -8.085 20.663 1.00 20.00 N ATOM 924 CA GLU A 51 -23.987 -7.159 21.788 1.00 20.00 C ATOM 925 C GLU A 51 -22.736 -6.291 21.800 1.00 20.00 C ATOM 926 O GLU A 51 -22.784 -5.117 22.170 1.00 20.00 O ATOM 927 CB GLU A 51 -24.115 -7.908 23.116 1.00 20.00 C ATOM 928 CG GLU A 51 -25.471 -8.558 23.328 1.00 20.00 C ATOM 929 CD GLU A 51 -25.655 -9.066 24.743 1.00 20.00 C ATOM 930 OE1 GLU A 51 -25.816 -8.237 25.664 1.00 20.00 O ATOM 931 OE2 GLU A 51 -25.662 -10.299 24.943 1.00 20.00 O ATOM 0 H GLU A 51 -23.868 -9.067 20.926 1.00 20.00 H new ATOM 0 HA GLU A 51 -24.862 -6.520 21.668 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -23.343 -8.676 23.164 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -23.924 -7.213 23.934 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.256 -7.837 23.099 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -25.586 -9.387 22.630 1.00 20.00 H new ATOM 938 N ARG A 52 -21.623 -6.871 21.377 1.00 20.00 N ATOM 939 CA ARG A 52 -20.364 -6.145 21.311 1.00 20.00 C ATOM 940 C ARG A 52 -20.413 -5.076 20.228 1.00 20.00 C ATOM 941 O ARG A 52 -19.815 -4.017 20.372 1.00 20.00 O ATOM 942 CB ARG A 52 -19.197 -7.099 21.054 1.00 20.00 C ATOM 943 CG ARG A 52 -18.853 -7.987 22.238 1.00 20.00 C ATOM 944 CD ARG A 52 -17.667 -8.878 21.926 1.00 20.00 C ATOM 945 NE ARG A 52 -17.198 -9.602 23.103 1.00 20.00 N ATOM 946 CZ ARG A 52 -16.103 -10.359 23.119 1.00 20.00 C ATOM 947 NH1 ARG A 52 -15.375 -10.500 22.018 1.00 20.00 N ATOM 948 NH2 ARG A 52 -15.731 -10.969 24.237 1.00 20.00 N ATOM 0 H ARG A 52 -21.566 -7.843 21.074 1.00 20.00 H new ATOM 0 HA ARG A 52 -20.209 -5.659 22.274 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -19.438 -7.729 20.198 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -18.317 -6.516 20.783 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -18.628 -7.369 23.107 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -19.715 -8.601 22.498 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -17.944 -9.591 21.149 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -16.854 -8.272 21.526 1.00 20.00 H new ATOM 0 HE ARG A 52 -17.741 -9.524 23.963 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -15.654 -10.028 21.158 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -14.536 -11.080 22.032 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -16.284 -10.858 25.087 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -14.892 -11.548 24.247 1.00 20.00 H new ATOM 962 N PHE A 53 -21.141 -5.356 19.151 1.00 20.00 N ATOM 963 CA PHE A 53 -21.307 -4.393 18.066 1.00 20.00 C ATOM 964 C PHE A 53 -22.010 -3.134 18.571 1.00 20.00 C ATOM 965 O PHE A 53 -21.740 -2.025 18.109 1.00 20.00 O ATOM 966 CB PHE A 53 -22.098 -5.016 16.912 1.00 20.00 C ATOM 967 CG PHE A 53 -22.292 -4.088 15.743 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.244 -3.812 14.875 1.00 20.00 C ATOM 969 CD2 PHE A 53 -23.521 -3.484 15.516 1.00 20.00 C ATOM 970 CE1 PHE A 53 -21.420 -2.955 13.806 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.699 -2.628 14.448 1.00 20.00 C ATOM 972 CZ PHE A 53 -22.648 -2.362 13.592 1.00 20.00 C ATOM 0 H PHE A 53 -21.626 -6.242 19.006 1.00 20.00 H new ATOM 0 HA PHE A 53 -20.319 -4.116 17.699 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -21.581 -5.913 16.571 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -23.074 -5.331 17.280 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.281 -4.272 15.037 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -24.347 -3.686 16.182 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.597 -2.749 13.138 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -24.661 -2.166 14.281 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.787 -1.691 12.757 1.00 20.00 H new ATOM 982 N ALA A 54 -22.902 -3.315 19.536 1.00 20.00 N ATOM 983 CA ALA A 54 -23.603 -2.197 20.148 1.00 20.00 C ATOM 984 C ALA A 54 -22.625 -1.314 20.918 1.00 20.00 C ATOM 985 O ALA A 54 -22.784 -0.093 20.981 1.00 20.00 O ATOM 986 CB ALA A 54 -24.706 -2.705 21.063 1.00 20.00 C ATOM 0 H ALA A 54 -23.157 -4.228 19.912 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.059 -1.596 19.361 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -25.223 -1.858 21.515 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -25.415 -3.296 20.484 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.272 -3.325 21.847 1.00 20.00 H new ATOM 992 N LYS A 55 -21.604 -1.941 21.491 1.00 20.00 N ATOM 993 CA LYS A 55 -20.559 -1.219 22.205 1.00 20.00 C ATOM 994 C LYS A 55 -19.507 -0.708 21.228 1.00 20.00 C ATOM 995 O LYS A 55 -18.767 0.232 21.527 1.00 20.00 O ATOM 996 CB LYS A 55 -19.905 -2.115 23.258 1.00 20.00 C ATOM 997 CG LYS A 55 -20.865 -2.605 24.334 1.00 20.00 C ATOM 998 CD LYS A 55 -21.462 -1.454 25.127 1.00 20.00 C ATOM 999 CE LYS A 55 -22.281 -1.960 26.304 1.00 20.00 C ATOM 1000 NZ LYS A 55 -22.881 -0.849 27.085 1.00 20.00 N ATOM 0 H LYS A 55 -21.478 -2.953 21.474 1.00 20.00 H new ATOM 0 HA LYS A 55 -21.016 -0.368 22.710 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -19.460 -2.978 22.761 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -19.092 -1.566 23.733 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -21.666 -3.181 23.871 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -20.339 -3.278 25.011 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -20.664 -0.806 25.489 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -22.093 -0.849 24.475 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -23.072 -2.615 25.940 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -21.646 -2.559 26.956 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -23.430 -1.239 27.877 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -22.126 -0.237 27.455 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.508 -0.291 26.470 1.00 20.00 H new ATOM 1014 N MET A 56 -19.436 -1.345 20.067 1.00 20.00 N ATOM 1015 CA MET A 56 -18.564 -0.896 18.991 1.00 20.00 C ATOM 1016 C MET A 56 -19.029 0.463 18.493 1.00 20.00 C ATOM 1017 O MET A 56 -18.229 1.382 18.344 1.00 20.00 O ATOM 1018 CB MET A 56 -18.543 -1.930 17.851 1.00 20.00 C ATOM 1019 CG MET A 56 -17.766 -1.504 16.607 1.00 20.00 C ATOM 1020 SD MET A 56 -18.721 -0.445 15.498 1.00 20.00 S ATOM 1021 CE MET A 56 -17.547 -0.196 14.169 1.00 20.00 C ATOM 0 H MET A 56 -19.977 -2.181 19.846 1.00 20.00 H new ATOM 0 HA MET A 56 -17.546 -0.797 19.367 1.00 20.00 H new ATOM 0 HB2 MET A 56 -18.113 -2.857 18.230 1.00 20.00 H new ATOM 0 HB3 MET A 56 -19.571 -2.150 17.561 1.00 20.00 H new ATOM 0 HG2 MET A 56 -16.863 -0.977 16.914 1.00 20.00 H new ATOM 0 HG3 MET A 56 -17.447 -2.393 16.064 1.00 20.00 H new ATOM 0 HE1 MET A 56 -17.993 0.440 13.404 1.00 20.00 H new ATOM 0 HE2 MET A 56 -16.649 0.282 14.561 1.00 20.00 H new ATOM 0 HE3 MET A 56 -17.283 -1.159 13.731 1.00 20.00 H new ATOM 1031 N ARG A 57 -20.334 0.586 18.266 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.924 1.852 17.853 1.00 20.00 C ATOM 1033 C ARG A 57 -20.766 2.878 18.973 1.00 20.00 C ATOM 1034 O ARG A 57 -20.424 4.030 18.714 1.00 20.00 O ATOM 1035 CB ARG A 57 -22.401 1.655 17.492 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.086 2.908 16.963 1.00 20.00 C ATOM 1037 CD ARG A 57 -22.360 3.488 15.753 1.00 20.00 C ATOM 1038 NE ARG A 57 -22.261 2.534 14.647 1.00 20.00 N ATOM 1039 CZ ARG A 57 -21.261 2.519 13.767 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -20.271 3.403 13.861 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -21.254 1.624 12.787 1.00 20.00 N ATOM 0 H ARG A 57 -21.003 -0.178 18.362 1.00 20.00 H new ATOM 0 HA ARG A 57 -20.408 2.222 16.967 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -22.478 0.868 16.742 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -22.936 1.307 18.376 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -24.114 2.671 16.690 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.131 3.658 17.753 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.885 4.381 15.412 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -21.359 3.800 16.050 1.00 20.00 H new ATOM 0 HE ARG A 57 -23.001 1.840 14.544 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -20.276 4.096 14.609 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -19.508 3.387 13.185 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.014 0.948 12.708 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -20.489 1.612 12.113 1.00 20.00 H new ATOM 1055 N LYS A 58 -21.014 2.437 20.207 1.00 20.00 N ATOM 1056 CA LYS A 58 -20.720 3.223 21.411 1.00 20.00 C ATOM 1057 C LYS A 58 -21.581 4.485 21.525 1.00 20.00 C ATOM 1058 O LYS A 58 -21.478 5.411 20.714 1.00 20.00 O ATOM 1059 CB LYS A 58 -19.231 3.590 21.457 1.00 20.00 C ATOM 1060 CG LYS A 58 -18.802 4.300 22.735 1.00 20.00 C ATOM 1061 CD LYS A 58 -19.007 3.426 23.964 1.00 20.00 C ATOM 1062 CE LYS A 58 -18.548 4.131 25.232 1.00 20.00 C ATOM 1063 NZ LYS A 58 -18.748 3.289 26.442 1.00 20.00 N ATOM 0 H LYS A 58 -21.425 1.524 20.402 1.00 20.00 H new ATOM 0 HA LYS A 58 -20.968 2.594 22.266 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -18.641 2.681 21.344 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -18.999 4.229 20.605 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -17.751 4.580 22.660 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -19.371 5.223 22.846 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -20.061 3.164 24.054 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -18.455 2.493 23.845 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -17.493 4.390 25.141 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -19.097 5.066 25.346 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -18.422 3.807 27.283 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -19.758 3.063 26.544 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -18.204 2.408 26.346 1.00 20.00 H new ATOM 1077 N GLU A 59 -22.421 4.497 22.558 1.00 20.00 N ATOM 1078 CA GLU A 59 -23.248 5.654 22.907 1.00 20.00 C ATOM 1079 C GLU A 59 -24.344 5.906 21.878 1.00 20.00 C ATOM 1080 O GLU A 59 -24.142 6.613 20.891 1.00 20.00 O ATOM 1081 CB GLU A 59 -22.396 6.912 23.081 1.00 20.00 C ATOM 1082 CG GLU A 59 -21.437 6.847 24.257 1.00 20.00 C ATOM 1083 CD GLU A 59 -20.641 8.122 24.419 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -21.164 9.077 25.029 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -19.491 8.179 23.935 1.00 20.00 O ATOM 0 H GLU A 59 -22.549 3.700 23.181 1.00 20.00 H new ATOM 0 HA GLU A 59 -23.727 5.419 23.858 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -21.825 7.082 22.168 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -23.055 7.771 23.209 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -21.999 6.653 25.171 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -20.753 6.009 24.120 1.00 20.00 H new ATOM 1092 N ARG A 60 -25.509 5.326 22.120 1.00 20.00 N ATOM 1093 CA ARG A 60 -26.676 5.582 21.292 1.00 20.00 C ATOM 1094 C ARG A 60 -27.804 6.117 22.163 1.00 20.00 C ATOM 1095 O ARG A 60 -27.615 6.273 23.371 1.00 20.00 O ATOM 1096 CB ARG A 60 -27.112 4.315 20.556 1.00 20.00 C ATOM 1097 CG ARG A 60 -26.069 3.803 19.577 1.00 20.00 C ATOM 1098 CD ARG A 60 -26.589 2.636 18.756 1.00 20.00 C ATOM 1099 NE ARG A 60 -26.894 1.465 19.576 1.00 20.00 N ATOM 1100 CZ ARG A 60 -27.059 0.239 19.079 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -26.974 0.033 17.769 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -27.321 -0.776 19.891 1.00 20.00 N ATOM 0 H ARG A 60 -25.671 4.672 22.886 1.00 20.00 H new ATOM 0 HA ARG A 60 -26.421 6.327 20.539 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -27.330 3.535 21.286 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -28.038 4.516 20.018 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -25.769 4.611 18.910 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -25.178 3.494 20.124 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -27.487 2.944 18.221 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -25.847 2.366 18.005 1.00 20.00 H new ATOM 0 HE ARG A 60 -26.986 1.593 20.584 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -26.782 0.814 17.141 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -27.101 -0.906 17.391 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -27.396 -0.619 20.896 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -27.447 -1.714 19.511 1.00 20.00 H new ATOM 1116 N SER A 61 -28.964 6.384 21.558 1.00 20.00 N ATOM 1117 CA SER A 61 -30.111 6.969 22.263 1.00 20.00 C ATOM 1118 C SER A 61 -29.680 8.167 23.115 1.00 20.00 C ATOM 1119 O SER A 61 -29.473 8.043 24.326 1.00 20.00 O ATOM 1120 CB SER A 61 -30.833 5.911 23.117 1.00 20.00 C ATOM 1121 OG SER A 61 -29.953 5.262 24.025 1.00 20.00 O ATOM 0 H SER A 61 -29.136 6.202 20.569 1.00 20.00 H new ATOM 0 HA SER A 61 -30.816 7.330 21.514 1.00 20.00 H new ATOM 0 HB2 SER A 61 -31.641 6.386 23.673 1.00 20.00 H new ATOM 0 HB3 SER A 61 -31.290 5.168 22.463 1.00 20.00 H new ATOM 0 HG SER A 61 -29.155 5.815 24.159 1.00 20.00 H new ATOM 1127 N LYS A 62 -29.533 9.321 22.469 1.00 20.00 N ATOM 1128 CA LYS A 62 -29.046 10.525 23.136 1.00 20.00 C ATOM 1129 C LYS A 62 -29.906 10.871 24.349 1.00 20.00 C ATOM 1130 O LYS A 62 -31.134 10.953 24.254 1.00 20.00 O ATOM 1131 CB LYS A 62 -29.022 11.702 22.160 1.00 20.00 C ATOM 1132 CG LYS A 62 -28.382 12.953 22.743 1.00 20.00 C ATOM 1133 CD LYS A 62 -28.338 14.089 21.733 1.00 20.00 C ATOM 1134 CE LYS A 62 -29.730 14.586 21.371 1.00 20.00 C ATOM 1135 NZ LYS A 62 -29.678 15.708 20.398 1.00 20.00 N ATOM 0 H LYS A 62 -29.745 9.448 21.479 1.00 20.00 H new ATOM 0 HA LYS A 62 -28.031 10.327 23.482 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -28.479 11.409 21.262 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -30.043 11.933 21.854 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -28.941 13.271 23.623 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -27.370 12.722 23.075 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -27.754 14.914 22.141 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -27.828 13.752 20.831 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -30.311 13.766 20.950 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -30.246 14.911 22.274 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -30.645 16.020 20.176 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -29.145 16.500 20.810 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -29.208 15.390 19.527 1.00 20.00 H new ATOM 1149 N GLN A 63 -29.256 11.062 25.486 1.00 20.00 N ATOM 1150 CA GLN A 63 -29.943 11.389 26.722 1.00 20.00 C ATOM 1151 C GLN A 63 -29.071 12.309 27.570 1.00 20.00 C ATOM 1152 O GLN A 63 -28.222 11.797 28.331 1.00 20.00 O ATOM 1153 CB GLN A 63 -30.286 10.108 27.491 1.00 20.00 C ATOM 1154 CG GLN A 63 -31.058 10.342 28.782 1.00 20.00 C ATOM 1155 CD GLN A 63 -32.414 10.989 28.564 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -32.906 11.722 29.421 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -33.033 10.719 27.425 1.00 20.00 N ATOM 1158 OXT GLN A 63 -29.230 13.541 27.459 1.00 20.00 O ATOM 0 H GLN A 63 -28.242 10.995 25.577 1.00 20.00 H new ATOM 0 HA GLN A 63 -30.873 11.907 26.489 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -30.872 9.455 26.844 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -29.362 9.579 27.724 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -31.196 9.389 29.292 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -30.464 10.974 29.443 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -32.593 10.106 26.738 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -33.950 11.124 27.234 1.00 20.00 H new TER 1167 GLN A 63