USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 HIS : no HE2:sc= -1.1 K(o=-0.37,f=-3.7!) USER MOD Set 1.2: A 51 CYS SG : rot 97:sc= 0.732 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0689 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 159:sc= -0.205 (180deg=-0.913) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.7) USER MOD Single : A 25 GLN : amide:sc= 0.065 K(o=0.065,f=-1.4) USER MOD Single : A 26 HIS : no HE2:sc= -0.755 K(o=0.76,f=-7.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.288 (180deg=-0.892!) USER MOD Single : A 58 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 60 THR OG1 : rot -33:sc= 0.603 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 160:sc= -0.0977 (180deg=-0.604) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.455 -1.672 -4.934 1.00 31.20 N ATOM 2 CA GLY A 1 15.367 -0.692 -4.703 1.00 10.23 C ATOM 3 C GLY A 1 15.352 0.392 -5.756 1.00 51.44 C ATOM 4 O GLY A 1 16.326 0.568 -6.488 1.00 41.30 O ATOM 0 H1 GLY A 1 16.056 -2.548 -5.328 1.00 31.20 H new ATOM 0 H2 GLY A 1 17.144 -1.274 -5.603 1.00 31.20 H new ATOM 0 H3 GLY A 1 16.929 -1.883 -4.033 1.00 31.20 H new ATOM 0 HA2 GLY A 1 14.407 -1.209 -4.700 1.00 10.23 H new ATOM 0 HA3 GLY A 1 15.488 -0.240 -3.719 1.00 10.23 H new ATOM 10 N SER A 2 14.251 1.117 -5.836 1.00 44.31 N ATOM 11 CA SER A 2 14.119 2.195 -6.797 1.00 51.41 C ATOM 12 C SER A 2 13.203 3.283 -6.248 1.00 3.41 C ATOM 13 O SER A 2 12.007 3.061 -6.069 1.00 33.54 O ATOM 14 CB SER A 2 13.564 1.650 -8.122 1.00 75.52 C ATOM 15 OG SER A 2 13.503 2.659 -9.120 1.00 2.30 O ATOM 0 H SER A 2 13.432 0.977 -5.244 1.00 44.31 H new ATOM 0 HA SER A 2 15.102 2.629 -6.978 1.00 51.41 H new ATOM 0 HB2 SER A 2 14.193 0.831 -8.471 1.00 75.52 H new ATOM 0 HB3 SER A 2 12.568 1.239 -7.958 1.00 75.52 H new ATOM 0 HG SER A 2 13.147 2.277 -9.950 1.00 2.30 H new ATOM 21 N HIS A 3 13.779 4.445 -5.948 1.00 30.40 N ATOM 22 CA HIS A 3 12.991 5.603 -5.537 1.00 72.41 C ATOM 23 C HIS A 3 12.103 6.056 -6.689 1.00 50.22 C ATOM 24 O HIS A 3 12.567 6.714 -7.620 1.00 32.52 O ATOM 25 CB HIS A 3 13.895 6.764 -5.095 1.00 44.24 C ATOM 26 CG HIS A 3 14.509 6.596 -3.738 1.00 22.24 C ATOM 27 ND1 HIS A 3 15.740 6.012 -3.532 1.00 21.41 N ATOM 28 CD2 HIS A 3 14.061 6.963 -2.514 1.00 61.01 C ATOM 29 CE1 HIS A 3 16.022 6.027 -2.242 1.00 61.52 C ATOM 30 NE2 HIS A 3 15.021 6.600 -1.605 1.00 75.34 N ATOM 0 H HIS A 3 14.785 4.609 -5.982 1.00 30.40 H new ATOM 0 HA HIS A 3 12.374 5.309 -4.688 1.00 72.41 H new ATOM 0 HB2 HIS A 3 14.693 6.885 -5.828 1.00 44.24 H new ATOM 0 HB3 HIS A 3 13.312 7.685 -5.104 1.00 44.24 H new ATOM 0 HD2 HIS A 3 13.123 7.451 -2.295 1.00 61.01 H new ATOM 0 HE1 HIS A 3 16.920 5.636 -1.787 1.00 61.52 H new ATOM 0 HE2 HIS A 3 14.969 6.750 -0.597 1.00 75.34 H new ATOM 39 N MET A 4 10.832 5.690 -6.631 1.00 3.32 N ATOM 40 CA MET A 4 9.901 5.999 -7.704 1.00 2.41 C ATOM 41 C MET A 4 9.537 7.479 -7.704 1.00 55.24 C ATOM 42 O MET A 4 8.601 7.901 -7.024 1.00 31.15 O ATOM 43 CB MET A 4 8.632 5.149 -7.586 1.00 71.04 C ATOM 44 CG MET A 4 8.865 3.657 -7.777 1.00 71.13 C ATOM 45 SD MET A 4 7.335 2.698 -7.695 1.00 63.41 S ATOM 46 CE MET A 4 6.404 3.427 -9.043 1.00 35.41 C ATOM 0 H MET A 4 10.421 5.178 -5.850 1.00 3.32 H new ATOM 0 HA MET A 4 10.395 5.763 -8.647 1.00 2.41 H new ATOM 0 HB2 MET A 4 8.187 5.314 -6.605 1.00 71.04 H new ATOM 0 HB3 MET A 4 7.908 5.491 -8.326 1.00 71.04 H new ATOM 0 HG2 MET A 4 9.344 3.488 -8.742 1.00 71.13 H new ATOM 0 HG3 MET A 4 9.555 3.300 -7.012 1.00 71.13 H new ATOM 0 HE1 MET A 4 5.627 2.734 -9.365 1.00 35.41 H new ATOM 0 HE2 MET A 4 5.944 4.356 -8.707 1.00 35.41 H new ATOM 0 HE3 MET A 4 7.074 3.635 -9.877 1.00 35.41 H new ATOM 56 N SER A 5 10.293 8.263 -8.455 1.00 72.44 N ATOM 57 CA SER A 5 10.024 9.684 -8.592 1.00 62.14 C ATOM 58 C SER A 5 8.737 9.898 -9.382 1.00 41.42 C ATOM 59 O SER A 5 8.425 9.130 -10.296 1.00 73.33 O ATOM 60 CB SER A 5 11.202 10.364 -9.288 1.00 23.11 C ATOM 61 OG SER A 5 12.428 10.015 -8.661 1.00 55.22 O ATOM 0 H SER A 5 11.103 7.936 -8.982 1.00 72.44 H new ATOM 0 HA SER A 5 9.898 10.126 -7.604 1.00 62.14 H new ATOM 0 HB2 SER A 5 11.229 10.071 -10.337 1.00 23.11 H new ATOM 0 HB3 SER A 5 11.070 11.446 -9.262 1.00 23.11 H new ATOM 0 HG SER A 5 13.170 10.459 -9.123 1.00 55.22 H new ATOM 67 N THR A 6 7.980 10.918 -9.015 1.00 40.04 N ATOM 68 CA THR A 6 6.707 11.185 -9.662 1.00 24.21 C ATOM 69 C THR A 6 6.880 12.150 -10.836 1.00 14.44 C ATOM 70 O THR A 6 7.546 13.185 -10.724 1.00 35.34 O ATOM 71 CB THR A 6 5.666 11.731 -8.653 1.00 73.13 C ATOM 72 OG1 THR A 6 4.382 11.851 -9.274 1.00 12.14 O ATOM 73 CG2 THR A 6 6.085 13.081 -8.090 1.00 54.50 C ATOM 0 H THR A 6 8.224 11.574 -8.273 1.00 40.04 H new ATOM 0 HA THR A 6 6.331 10.239 -10.051 1.00 24.21 H new ATOM 0 HB THR A 6 5.608 11.019 -7.830 1.00 73.13 H new ATOM 0 HG1 THR A 6 3.735 12.195 -8.624 1.00 12.14 H new ATOM 0 HG21 THR A 6 5.330 13.432 -7.386 1.00 54.50 H new ATOM 0 HG22 THR A 6 7.041 12.980 -7.576 1.00 54.50 H new ATOM 0 HG23 THR A 6 6.184 13.800 -8.904 1.00 54.50 H new ATOM 81 N ASN A 7 6.310 11.785 -11.977 1.00 21.12 N ATOM 82 CA ASN A 7 6.382 12.621 -13.167 1.00 5.45 C ATOM 83 C ASN A 7 4.984 13.011 -13.633 1.00 71.11 C ATOM 84 O ASN A 7 4.282 12.215 -14.264 1.00 71.44 O ATOM 85 CB ASN A 7 7.143 11.906 -14.293 1.00 2.25 C ATOM 86 CG ASN A 7 7.144 12.699 -15.591 1.00 64.14 C ATOM 87 OD1 ASN A 7 6.265 12.533 -16.436 1.00 33.10 O ATOM 88 ND2 ASN A 7 8.133 13.565 -15.760 1.00 14.13 N ATOM 0 H ASN A 7 5.793 10.915 -12.103 1.00 21.12 H new ATOM 0 HA ASN A 7 6.928 13.529 -12.910 1.00 5.45 H new ATOM 0 HB2 ASN A 7 8.171 11.731 -13.977 1.00 2.25 H new ATOM 0 HB3 ASN A 7 6.692 10.929 -14.468 1.00 2.25 H new ATOM 0 HD21 ASN A 7 8.183 14.122 -16.613 1.00 14.13 H new ATOM 0 HD22 ASN A 7 8.844 13.675 -15.037 1.00 14.13 H new ATOM 95 N PRO A 8 4.546 14.230 -13.296 1.00 32.14 N ATOM 96 CA PRO A 8 3.251 14.753 -13.714 1.00 3.51 C ATOM 97 C PRO A 8 3.291 15.364 -15.114 1.00 72.03 C ATOM 98 O PRO A 8 2.508 14.995 -15.989 1.00 13.12 O ATOM 99 CB PRO A 8 2.943 15.839 -12.667 1.00 60.32 C ATOM 100 CG PRO A 8 4.117 15.873 -11.732 1.00 2.35 C ATOM 101 CD PRO A 8 5.250 15.185 -12.439 1.00 35.24 C ATOM 0 HA PRO A 8 2.498 13.966 -13.767 1.00 3.51 H new ATOM 0 HB2 PRO A 8 2.799 16.808 -13.144 1.00 60.32 H new ATOM 0 HB3 PRO A 8 2.024 15.609 -12.128 1.00 60.32 H new ATOM 0 HG2 PRO A 8 4.383 16.900 -11.482 1.00 2.35 H new ATOM 0 HG3 PRO A 8 3.881 15.368 -10.795 1.00 2.35 H new ATOM 0 HD2 PRO A 8 5.853 15.884 -13.018 1.00 35.24 H new ATOM 0 HD3 PRO A 8 5.923 14.687 -11.741 1.00 35.24 H new ATOM 109 N PHE A 9 4.225 16.282 -15.322 1.00 64.42 N ATOM 110 CA PHE A 9 4.294 17.036 -16.564 1.00 65.22 C ATOM 111 C PHE A 9 5.144 16.321 -17.603 1.00 52.40 C ATOM 112 O PHE A 9 6.317 16.030 -17.368 1.00 1.13 O ATOM 113 CB PHE A 9 4.872 18.427 -16.306 1.00 74.45 C ATOM 114 CG PHE A 9 4.133 19.203 -15.255 1.00 53.32 C ATOM 115 CD1 PHE A 9 2.868 19.706 -15.509 1.00 14.23 C ATOM 116 CD2 PHE A 9 4.706 19.435 -14.014 1.00 55.12 C ATOM 117 CE1 PHE A 9 2.186 20.423 -14.545 1.00 51.32 C ATOM 118 CE2 PHE A 9 4.029 20.152 -13.045 1.00 3.35 C ATOM 119 CZ PHE A 9 2.769 20.649 -13.313 1.00 24.54 C ATOM 0 H PHE A 9 4.947 16.522 -14.643 1.00 64.42 H new ATOM 0 HA PHE A 9 3.279 17.125 -16.951 1.00 65.22 H new ATOM 0 HB2 PHE A 9 5.915 18.327 -16.005 1.00 74.45 H new ATOM 0 HB3 PHE A 9 4.862 18.993 -17.237 1.00 74.45 H new ATOM 0 HD1 PHE A 9 2.409 19.536 -16.472 1.00 14.23 H new ATOM 0 HD2 PHE A 9 5.693 19.051 -13.802 1.00 55.12 H new ATOM 0 HE1 PHE A 9 1.198 20.806 -14.754 1.00 51.32 H new ATOM 0 HE2 PHE A 9 4.485 20.323 -12.081 1.00 3.35 H new ATOM 0 HZ PHE A 9 2.240 21.214 -12.560 1.00 24.54 H new ATOM 129 N ASP A 10 4.536 16.031 -18.747 1.00 53.22 N ATOM 130 CA ASP A 10 5.254 15.468 -19.885 1.00 14.33 C ATOM 131 C ASP A 10 5.434 16.545 -20.949 1.00 73.42 C ATOM 132 O ASP A 10 6.175 16.372 -21.918 1.00 2.11 O ATOM 133 CB ASP A 10 4.486 14.283 -20.485 1.00 13.04 C ATOM 134 CG ASP A 10 3.184 14.708 -21.141 1.00 73.13 C ATOM 135 OD1 ASP A 10 2.240 15.070 -20.410 1.00 30.21 O ATOM 136 OD2 ASP A 10 3.097 14.674 -22.385 1.00 23.45 O ATOM 0 H ASP A 10 3.540 16.178 -18.912 1.00 53.22 H new ATOM 0 HA ASP A 10 6.226 15.112 -19.542 1.00 14.33 H new ATOM 0 HB2 ASP A 10 5.114 13.782 -21.222 1.00 13.04 H new ATOM 0 HB3 ASP A 10 4.274 13.557 -19.701 1.00 13.04 H new ATOM 141 N ASP A 11 4.741 17.660 -20.750 1.00 31.23 N ATOM 142 CA ASP A 11 4.780 18.780 -21.680 1.00 35.51 C ATOM 143 C ASP A 11 5.100 20.066 -20.931 1.00 71.44 C ATOM 144 O ASP A 11 4.529 20.327 -19.868 1.00 54.05 O ATOM 145 CB ASP A 11 3.439 18.910 -22.410 1.00 61.34 C ATOM 146 CG ASP A 11 3.392 20.107 -23.336 1.00 53.53 C ATOM 147 OD1 ASP A 11 3.837 19.985 -24.492 1.00 3.52 O ATOM 148 OD2 ASP A 11 2.895 21.171 -22.913 1.00 42.35 O ATOM 0 H ASP A 11 4.138 17.812 -19.941 1.00 31.23 H new ATOM 0 HA ASP A 11 5.561 18.599 -22.419 1.00 35.51 H new ATOM 0 HB2 ASP A 11 3.254 18.003 -22.985 1.00 61.34 H new ATOM 0 HB3 ASP A 11 2.637 18.991 -21.676 1.00 61.34 H new ATOM 153 N ASP A 12 6.017 20.853 -21.480 1.00 65.11 N ATOM 154 CA ASP A 12 6.455 22.093 -20.844 1.00 24.13 C ATOM 155 C ASP A 12 5.348 23.137 -20.898 1.00 30.20 C ATOM 156 O ASP A 12 5.185 23.831 -21.901 1.00 73.51 O ATOM 157 CB ASP A 12 7.711 22.634 -21.531 1.00 60.44 C ATOM 158 CG ASP A 12 8.831 21.614 -21.599 1.00 73.13 C ATOM 159 OD1 ASP A 12 9.412 21.288 -20.546 1.00 30.44 O ATOM 160 OD2 ASP A 12 9.136 21.146 -22.719 1.00 41.33 O ATOM 0 H ASP A 12 6.475 20.654 -22.369 1.00 65.11 H new ATOM 0 HA ASP A 12 6.689 21.877 -19.801 1.00 24.13 H new ATOM 0 HB2 ASP A 12 7.457 22.955 -22.541 1.00 60.44 H new ATOM 0 HB3 ASP A 12 8.061 23.516 -20.995 1.00 60.44 H new ATOM 165 N ASN A 13 4.581 23.235 -19.822 1.00 24.34 N ATOM 166 CA ASN A 13 3.433 24.133 -19.778 1.00 3.22 C ATOM 167 C ASN A 13 3.861 25.561 -19.442 1.00 11.43 C ATOM 168 O ASN A 13 3.229 26.527 -19.864 1.00 23.33 O ATOM 169 CB ASN A 13 2.414 23.628 -18.749 1.00 25.12 C ATOM 170 CG ASN A 13 1.098 24.377 -18.820 1.00 32.43 C ATOM 171 OD1 ASN A 13 0.895 25.372 -18.124 1.00 55.12 O ATOM 172 ND2 ASN A 13 0.195 23.903 -19.666 1.00 12.21 N ATOM 0 H ASN A 13 4.732 22.703 -18.965 1.00 24.34 H new ATOM 0 HA ASN A 13 2.971 24.145 -20.765 1.00 3.22 H new ATOM 0 HB2 ASN A 13 2.233 22.566 -18.913 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.833 23.729 -17.748 1.00 25.12 H new ATOM 0 HD21 ASN A 13 -0.709 24.366 -19.759 1.00 12.21 H new ATOM 0 HD22 ASN A 13 0.404 23.075 -20.224 1.00 12.21 H new ATOM 179 N GLY A 14 4.950 25.687 -18.696 1.00 51.13 N ATOM 180 CA GLY A 14 5.422 26.996 -18.291 1.00 21.14 C ATOM 181 C GLY A 14 6.923 27.117 -18.423 1.00 35.24 C ATOM 182 O GLY A 14 7.522 26.487 -19.296 1.00 24.13 O ATOM 0 H GLY A 14 5.515 24.906 -18.364 1.00 51.13 H new ATOM 0 HA2 GLY A 14 4.941 27.761 -18.901 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.132 27.183 -17.257 1.00 21.14 H new ATOM 186 N ALA A 15 7.532 27.917 -17.561 1.00 10.03 N ATOM 187 CA ALA A 15 8.976 28.079 -17.560 1.00 40.42 C ATOM 188 C ALA A 15 9.623 26.929 -16.801 1.00 10.11 C ATOM 189 O ALA A 15 9.116 26.495 -15.767 1.00 53.33 O ATOM 190 CB ALA A 15 9.377 29.416 -16.949 1.00 42.14 C ATOM 0 H ALA A 15 7.046 28.465 -16.851 1.00 10.03 H new ATOM 0 HA ALA A 15 9.327 28.067 -18.592 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.463 29.511 -16.961 1.00 42.14 H new ATOM 0 HB2 ALA A 15 8.936 30.227 -17.528 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.020 29.468 -15.920 1.00 42.14 H new ATOM 196 N PHE A 16 10.734 26.442 -17.315 1.00 2.14 N ATOM 197 CA PHE A 16 11.416 25.298 -16.731 1.00 60.34 C ATOM 198 C PHE A 16 12.855 25.658 -16.394 1.00 23.33 C ATOM 199 O PHE A 16 13.486 26.446 -17.096 1.00 2.33 O ATOM 200 CB PHE A 16 11.373 24.114 -17.707 1.00 41.43 C ATOM 201 CG PHE A 16 11.423 24.548 -19.145 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.593 25.038 -19.691 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.286 24.506 -19.937 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.630 25.477 -20.998 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.322 24.935 -21.249 1.00 23.23 C ATOM 206 CZ PHE A 16 11.495 25.428 -21.778 1.00 4.31 C ATOM 0 H PHE A 16 11.190 26.823 -18.144 1.00 2.14 H new ATOM 0 HA PHE A 16 10.909 25.013 -15.809 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.212 23.449 -17.503 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.462 23.540 -17.536 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.488 25.078 -19.088 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.361 24.133 -19.523 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.551 25.860 -21.411 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.432 24.884 -21.859 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.525 25.775 -22.800 1.00 4.31 H new ATOM 216 N PHE A 17 13.358 25.088 -15.316 1.00 3.34 N ATOM 217 CA PHE A 17 14.732 25.309 -14.898 1.00 51.42 C ATOM 218 C PHE A 17 15.493 23.998 -14.923 1.00 72.30 C ATOM 219 O PHE A 17 14.898 22.920 -14.853 1.00 3.33 O ATOM 220 CB PHE A 17 14.785 25.894 -13.479 1.00 31.34 C ATOM 221 CG PHE A 17 14.699 27.396 -13.407 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.901 28.113 -14.283 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.429 28.090 -12.454 1.00 72.20 C ATOM 224 CE1 PHE A 17 13.828 29.490 -14.206 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.360 29.468 -12.374 1.00 73.11 C ATOM 226 CZ PHE A 17 14.559 30.168 -13.253 1.00 52.41 C ATOM 0 H PHE A 17 12.831 24.462 -14.707 1.00 3.34 H new ATOM 0 HA PHE A 17 15.188 26.018 -15.589 1.00 51.42 H new ATOM 0 HB2 PHE A 17 13.967 25.470 -12.896 1.00 31.34 H new ATOM 0 HB3 PHE A 17 15.713 25.575 -13.005 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.329 27.589 -15.035 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.059 27.547 -11.766 1.00 72.20 H new ATOM 0 HE1 PHE A 17 13.198 30.036 -14.892 1.00 12.45 H new ATOM 0 HE2 PHE A 17 15.932 29.996 -11.625 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.505 31.245 -13.195 1.00 52.41 H new ATOM 236 N VAL A 18 16.804 24.086 -15.030 1.00 4.01 N ATOM 237 CA VAL A 18 17.638 22.912 -14.916 1.00 72.22 C ATOM 238 C VAL A 18 18.051 22.740 -13.469 1.00 33.02 C ATOM 239 O VAL A 18 18.986 23.386 -12.976 1.00 72.11 O ATOM 240 CB VAL A 18 18.881 22.987 -15.818 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.752 21.751 -15.653 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.469 23.149 -17.269 1.00 12.33 C ATOM 0 H VAL A 18 17.311 24.956 -15.195 1.00 4.01 H new ATOM 0 HA VAL A 18 17.058 22.051 -15.250 1.00 72.22 H new ATOM 0 HB VAL A 18 19.466 23.856 -15.517 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.624 21.831 -16.302 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.078 21.672 -14.616 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.179 20.864 -15.922 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.359 23.201 -17.896 1.00 12.33 H new ATOM 0 HG22 VAL A 18 17.861 22.297 -17.572 1.00 12.33 H new ATOM 0 HG23 VAL A 18 17.891 24.066 -17.383 1.00 12.33 H new ATOM 252 N LEU A 19 17.321 21.890 -12.783 1.00 51.11 N ATOM 253 CA LEU A 19 17.534 21.663 -11.374 1.00 23.23 C ATOM 254 C LEU A 19 18.254 20.340 -11.181 1.00 33.24 C ATOM 255 O LEU A 19 18.185 19.461 -12.037 1.00 54.22 O ATOM 256 CB LEU A 19 16.177 21.649 -10.659 1.00 53.14 C ATOM 257 CG LEU A 19 16.230 21.574 -9.134 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.907 22.807 -8.571 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.832 21.427 -8.555 1.00 25.42 C ATOM 0 H LEU A 19 16.564 21.338 -13.187 1.00 51.11 H new ATOM 0 HA LEU A 19 18.148 22.459 -10.952 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.630 22.548 -10.941 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.603 20.798 -11.026 1.00 53.14 H new ATOM 0 HG LEU A 19 16.811 20.696 -8.852 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.938 22.741 -7.483 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.923 22.874 -8.960 1.00 73.41 H new ATOM 0 HD13 LEU A 19 16.347 23.695 -8.864 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.892 21.375 -7.468 1.00 25.42 H new ATOM 0 HD22 LEU A 19 14.226 22.286 -8.845 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.374 20.514 -8.937 1.00 25.42 H new ATOM 271 N VAL A 20 18.980 20.206 -10.094 1.00 54.31 N ATOM 272 CA VAL A 20 19.555 18.926 -9.754 1.00 1.04 C ATOM 273 C VAL A 20 19.532 18.722 -8.249 1.00 52.45 C ATOM 274 O VAL A 20 19.915 19.606 -7.482 1.00 22.12 O ATOM 275 CB VAL A 20 20.998 18.778 -10.305 1.00 31.22 C ATOM 276 CG1 VAL A 20 21.931 19.828 -9.723 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.533 17.380 -10.048 1.00 44.44 C ATOM 0 H VAL A 20 19.184 20.959 -9.437 1.00 54.31 H new ATOM 0 HA VAL A 20 18.947 18.153 -10.225 1.00 1.04 H new ATOM 0 HB VAL A 20 20.955 18.938 -11.382 1.00 31.22 H new ATOM 0 HG11 VAL A 20 22.932 19.692 -10.132 1.00 65.21 H new ATOM 0 HG12 VAL A 20 21.566 20.822 -9.980 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.965 19.723 -8.639 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.546 17.300 -10.443 1.00 44.44 H new ATOM 0 HG22 VAL A 20 21.545 17.187 -8.975 1.00 44.44 H new ATOM 0 HG23 VAL A 20 20.892 16.649 -10.541 1.00 44.44 H new ATOM 287 N ASN A 21 19.035 17.572 -7.829 1.00 13.51 N ATOM 288 CA ASN A 21 19.098 17.197 -6.430 1.00 61.42 C ATOM 289 C ASN A 21 20.451 16.572 -6.162 1.00 15.32 C ATOM 290 O ASN A 21 21.042 15.968 -7.059 1.00 60.15 O ATOM 291 CB ASN A 21 17.983 16.211 -6.063 1.00 40.23 C ATOM 292 CG ASN A 21 16.594 16.814 -6.173 1.00 14.14 C ATOM 293 OD1 ASN A 21 16.403 18.015 -5.997 1.00 1.33 O ATOM 294 ND2 ASN A 21 15.608 15.975 -6.455 1.00 30.15 N ATOM 0 H ASN A 21 18.585 16.885 -8.435 1.00 13.51 H new ATOM 0 HA ASN A 21 18.961 18.088 -5.817 1.00 61.42 H new ATOM 0 HB2 ASN A 21 18.047 15.340 -6.715 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.140 15.858 -5.044 1.00 40.23 H new ATOM 0 HD21 ASN A 21 14.651 16.320 -6.533 1.00 30.15 H new ATOM 0 HD22 ASN A 21 15.806 14.984 -6.595 1.00 30.15 H new ATOM 301 N ASP A 22 20.946 16.707 -4.944 1.00 31.34 N ATOM 302 CA ASP A 22 22.269 16.191 -4.606 1.00 71.21 C ATOM 303 C ASP A 22 22.324 14.675 -4.790 1.00 5.13 C ATOM 304 O ASP A 22 23.376 14.108 -5.079 1.00 75.41 O ATOM 305 CB ASP A 22 22.640 16.568 -3.173 1.00 63.32 C ATOM 306 CG ASP A 22 24.063 16.178 -2.827 1.00 13.22 C ATOM 307 OD1 ASP A 22 24.999 16.722 -3.448 1.00 4.44 O ATOM 308 OD2 ASP A 22 24.252 15.336 -1.925 1.00 22.11 O ATOM 0 H ASP A 22 20.459 17.166 -4.174 1.00 31.34 H new ATOM 0 HA ASP A 22 22.994 16.643 -5.283 1.00 71.21 H new ATOM 0 HB2 ASP A 22 22.517 17.643 -3.039 1.00 63.32 H new ATOM 0 HB3 ASP A 22 21.953 16.080 -2.482 1.00 63.32 H new ATOM 313 N GLU A 23 21.171 14.035 -4.656 1.00 75.54 N ATOM 314 CA GLU A 23 21.065 12.586 -4.786 1.00 32.45 C ATOM 315 C GLU A 23 20.626 12.173 -6.195 1.00 53.52 C ATOM 316 O GLU A 23 20.380 10.993 -6.453 1.00 4.33 O ATOM 317 CB GLU A 23 20.066 12.047 -3.760 1.00 55.34 C ATOM 318 CG GLU A 23 18.694 12.692 -3.863 1.00 3.05 C ATOM 319 CD GLU A 23 17.731 12.193 -2.810 1.00 72.14 C ATOM 320 OE1 GLU A 23 17.021 11.200 -3.069 1.00 41.22 O ATOM 321 OE2 GLU A 23 17.670 12.800 -1.722 1.00 42.25 O ATOM 0 H GLU A 23 20.286 14.501 -4.455 1.00 75.54 H new ATOM 0 HA GLU A 23 22.053 12.162 -4.604 1.00 32.45 H new ATOM 0 HB2 GLU A 23 19.965 10.970 -3.893 1.00 55.34 H new ATOM 0 HB3 GLU A 23 20.462 12.209 -2.757 1.00 55.34 H new ATOM 0 HG2 GLU A 23 18.798 13.773 -3.770 1.00 3.05 H new ATOM 0 HG3 GLU A 23 18.278 12.495 -4.851 1.00 3.05 H new ATOM 328 N ASP A 24 20.536 13.133 -7.107 1.00 13.53 N ATOM 329 CA ASP A 24 20.033 12.854 -8.453 1.00 20.35 C ATOM 330 C ASP A 24 21.122 13.119 -9.496 1.00 53.33 C ATOM 331 O ASP A 24 22.273 13.388 -9.147 1.00 63.23 O ATOM 332 CB ASP A 24 18.795 13.714 -8.747 1.00 43.45 C ATOM 333 CG ASP A 24 17.832 13.056 -9.726 1.00 72.21 C ATOM 334 OD1 ASP A 24 18.183 12.904 -10.916 1.00 61.12 O ATOM 335 OD2 ASP A 24 16.712 12.694 -9.306 1.00 52.14 O ATOM 0 H ASP A 24 20.801 14.104 -6.945 1.00 13.53 H new ATOM 0 HA ASP A 24 19.750 11.803 -8.506 1.00 20.35 H new ATOM 0 HB2 ASP A 24 18.272 13.919 -7.813 1.00 43.45 H new ATOM 0 HB3 ASP A 24 19.114 14.675 -9.150 1.00 43.45 H new ATOM 340 N GLN A 25 20.750 13.042 -10.765 1.00 74.12 N ATOM 341 CA GLN A 25 21.674 13.279 -11.864 1.00 5.14 C ATOM 342 C GLN A 25 21.321 14.576 -12.595 1.00 61.33 C ATOM 343 O GLN A 25 22.183 15.418 -12.831 1.00 2.43 O ATOM 344 CB GLN A 25 21.661 12.086 -12.835 1.00 50.45 C ATOM 345 CG GLN A 25 20.267 11.686 -13.292 1.00 62.10 C ATOM 346 CD GLN A 25 20.267 10.510 -14.247 1.00 4.10 C ATOM 347 OE1 GLN A 25 21.205 10.315 -15.019 1.00 73.34 O ATOM 348 NE2 GLN A 25 19.210 9.717 -14.198 1.00 42.45 N ATOM 0 H GLN A 25 19.801 12.814 -11.062 1.00 74.12 H new ATOM 0 HA GLN A 25 22.680 13.383 -11.457 1.00 5.14 H new ATOM 0 HB2 GLN A 25 22.263 12.334 -13.709 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.135 11.231 -12.353 1.00 50.45 H new ATOM 0 HG2 GLN A 25 19.663 11.437 -12.419 1.00 62.10 H new ATOM 0 HG3 GLN A 25 19.792 12.539 -13.776 1.00 62.10 H new ATOM 0 HE21 GLN A 25 18.454 9.915 -13.543 1.00 42.45 H new ATOM 0 HE22 GLN A 25 19.151 8.907 -14.816 1.00 42.45 H new ATOM 357 N HIS A 26 20.048 14.726 -12.956 1.00 20.14 N ATOM 358 CA HIS A 26 19.564 15.938 -13.613 1.00 44.33 C ATOM 359 C HIS A 26 18.040 15.984 -13.597 1.00 25.54 C ATOM 360 O HIS A 26 17.380 15.027 -13.997 1.00 2.13 O ATOM 361 CB HIS A 26 20.101 16.061 -15.054 1.00 1.43 C ATOM 362 CG HIS A 26 19.879 14.868 -15.952 1.00 15.33 C ATOM 363 ND1 HIS A 26 18.643 14.309 -16.195 1.00 25.13 N ATOM 364 CD2 HIS A 26 20.753 14.162 -16.708 1.00 31.34 C ATOM 365 CE1 HIS A 26 18.768 13.322 -17.062 1.00 13.51 C ATOM 366 NE2 HIS A 26 20.038 13.210 -17.394 1.00 71.22 N ATOM 0 H HIS A 26 19.329 14.018 -12.803 1.00 20.14 H new ATOM 0 HA HIS A 26 19.944 16.791 -13.051 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.638 16.931 -15.519 1.00 1.43 H new ATOM 0 HB3 HIS A 26 21.172 16.258 -15.005 1.00 1.43 H new ATOM 0 HD1 HIS A 26 17.766 14.612 -15.770 1.00 25.13 H new ATOM 0 HD2 HIS A 26 21.820 14.319 -16.762 1.00 31.34 H new ATOM 0 HE1 HIS A 26 17.963 12.708 -17.437 1.00 13.51 H new ATOM 375 N SER A 27 17.485 17.091 -13.137 1.00 70.05 N ATOM 376 CA SER A 27 16.043 17.222 -13.032 1.00 44.25 C ATOM 377 C SER A 27 15.549 18.470 -13.762 1.00 53.24 C ATOM 378 O SER A 27 15.719 19.593 -13.287 1.00 54.43 O ATOM 379 CB SER A 27 15.640 17.286 -11.558 1.00 40.02 C ATOM 380 OG SER A 27 16.255 16.243 -10.816 1.00 42.35 O ATOM 0 H SER A 27 18.010 17.910 -12.831 1.00 70.05 H new ATOM 0 HA SER A 27 15.583 16.352 -13.500 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.926 18.251 -11.141 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.556 17.209 -11.470 1.00 40.02 H new ATOM 0 HG SER A 27 15.984 16.306 -9.876 1.00 42.35 H new ATOM 386 N LEU A 28 14.959 18.276 -14.932 1.00 62.10 N ATOM 387 CA LEU A 28 14.328 19.375 -15.646 1.00 50.32 C ATOM 388 C LEU A 28 13.024 19.728 -14.947 1.00 31.11 C ATOM 389 O LEU A 28 12.006 19.059 -15.127 1.00 61.20 O ATOM 390 CB LEU A 28 14.094 19.012 -17.122 1.00 53.12 C ATOM 391 CG LEU A 28 15.218 19.422 -18.089 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.245 20.934 -18.251 1.00 11.32 C ATOM 393 CD2 LEU A 28 16.567 18.927 -17.595 1.00 22.11 C ATOM 0 H LEU A 28 14.904 17.374 -15.405 1.00 62.10 H new ATOM 0 HA LEU A 28 14.986 20.244 -15.635 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.950 17.934 -17.195 1.00 53.12 H new ATOM 0 HB3 LEU A 28 13.166 19.480 -17.451 1.00 53.12 H new ATOM 0 HG LEU A 28 15.018 18.963 -19.057 1.00 43.24 H new ATOM 0 HD11 LEU A 28 16.045 21.212 -18.938 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.289 21.274 -18.650 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.420 21.401 -17.282 1.00 11.32 H new ATOM 0 HD21 LEU A 28 17.345 19.230 -18.296 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.775 19.356 -16.615 1.00 22.11 H new ATOM 0 HD23 LEU A 28 16.550 17.840 -17.519 1.00 22.11 H new ATOM 405 N TRP A 29 13.079 20.763 -14.126 1.00 50.34 N ATOM 406 CA TRP A 29 11.991 21.080 -13.216 1.00 20.41 C ATOM 407 C TRP A 29 11.355 22.422 -13.575 1.00 32.24 C ATOM 408 O TRP A 29 12.009 23.465 -13.522 1.00 74.10 O ATOM 409 CB TRP A 29 12.532 21.102 -11.780 1.00 43.11 C ATOM 410 CG TRP A 29 11.481 21.249 -10.725 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.163 22.388 -10.044 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.620 20.221 -10.218 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.152 22.134 -9.147 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.802 20.814 -9.236 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.456 18.860 -10.500 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.840 20.096 -8.535 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.498 18.148 -9.800 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.701 18.769 -8.828 1.00 70.13 C ATOM 0 H TRP A 29 13.872 21.402 -14.071 1.00 50.34 H new ATOM 0 HA TRP A 29 11.217 20.317 -13.300 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.085 20.180 -11.599 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.242 21.923 -11.685 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.636 23.348 -10.188 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.732 22.818 -8.518 1.00 60.32 H new ATOM 0 HE3 TRP A 29 11.065 18.375 -11.249 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.224 20.571 -7.785 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 9.362 17.097 -10.006 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.961 18.186 -8.300 1.00 70.13 H new ATOM 429 N PRO A 30 10.076 22.407 -13.970 1.00 72.53 N ATOM 430 CA PRO A 30 9.333 23.621 -14.292 1.00 63.44 C ATOM 431 C PRO A 30 8.982 24.414 -13.038 1.00 0.24 C ATOM 432 O PRO A 30 8.611 23.839 -12.015 1.00 73.54 O ATOM 433 CB PRO A 30 8.055 23.109 -14.978 1.00 4.34 C ATOM 434 CG PRO A 30 8.267 21.645 -15.190 1.00 3.34 C ATOM 435 CD PRO A 30 9.253 21.210 -14.146 1.00 51.14 C ATOM 0 HA PRO A 30 9.913 24.298 -14.919 1.00 63.44 H new ATOM 0 HB2 PRO A 30 7.178 23.291 -14.357 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.887 23.621 -15.925 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.329 21.098 -15.092 1.00 3.34 H new ATOM 0 HG3 PRO A 30 8.648 21.448 -16.192 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.760 20.917 -13.219 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.844 20.356 -14.477 1.00 51.14 H new ATOM 443 N VAL A 31 9.070 25.737 -13.131 1.00 5.34 N ATOM 444 CA VAL A 31 8.793 26.611 -11.990 1.00 31.12 C ATOM 445 C VAL A 31 7.300 26.645 -11.669 1.00 22.24 C ATOM 446 O VAL A 31 6.879 27.222 -10.664 1.00 72.24 O ATOM 447 CB VAL A 31 9.293 28.052 -12.231 1.00 4.33 C ATOM 448 CG1 VAL A 31 10.799 28.069 -12.441 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.579 28.686 -13.416 1.00 74.32 C ATOM 0 H VAL A 31 9.331 26.231 -13.985 1.00 5.34 H new ATOM 0 HA VAL A 31 9.336 26.192 -11.142 1.00 31.12 H new ATOM 0 HB VAL A 31 9.063 28.642 -11.344 1.00 4.33 H new ATOM 0 HG11 VAL A 31 11.131 29.093 -12.609 1.00 70.22 H new ATOM 0 HG12 VAL A 31 11.294 27.667 -11.557 1.00 70.22 H new ATOM 0 HG13 VAL A 31 11.052 27.458 -13.308 1.00 70.22 H new ATOM 0 HG21 VAL A 31 8.950 29.700 -13.564 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.768 28.096 -14.313 1.00 74.32 H new ATOM 0 HG23 VAL A 31 7.507 28.716 -13.221 1.00 74.32 H new ATOM 459 N PHE A 32 6.513 26.025 -12.541 1.00 43.21 N ATOM 460 CA PHE A 32 5.077 25.898 -12.338 1.00 54.23 C ATOM 461 C PHE A 32 4.808 24.987 -11.143 1.00 21.23 C ATOM 462 O PHE A 32 3.769 25.080 -10.488 1.00 40.43 O ATOM 463 CB PHE A 32 4.427 25.333 -13.608 1.00 43.03 C ATOM 464 CG PHE A 32 2.924 25.393 -13.614 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.267 26.574 -13.919 1.00 4.02 C ATOM 466 CD2 PHE A 32 2.166 24.267 -13.327 1.00 61.21 C ATOM 467 CE1 PHE A 32 0.888 26.633 -13.935 1.00 34.13 C ATOM 468 CE2 PHE A 32 0.785 24.321 -13.341 1.00 63.22 C ATOM 469 CZ PHE A 32 0.147 25.505 -13.647 1.00 44.13 C ATOM 0 H PHE A 32 6.851 25.599 -13.404 1.00 43.21 H new ATOM 0 HA PHE A 32 4.646 26.878 -12.132 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.804 25.883 -14.470 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.738 24.295 -13.730 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.841 27.460 -14.147 1.00 4.02 H new ATOM 0 HD2 PHE A 32 2.661 23.337 -13.090 1.00 61.21 H new ATOM 0 HE1 PHE A 32 0.389 27.561 -14.173 1.00 34.13 H new ATOM 0 HE2 PHE A 32 0.207 23.438 -13.113 1.00 63.22 H new ATOM 0 HZ PHE A 32 -0.932 25.549 -13.661 1.00 44.13 H new ATOM 479 N ALA A 33 5.763 24.114 -10.858 1.00 62.53 N ATOM 480 CA ALA A 33 5.677 23.235 -9.711 1.00 73.21 C ATOM 481 C ALA A 33 6.520 23.791 -8.574 1.00 14.11 C ATOM 482 O ALA A 33 7.539 24.443 -8.809 1.00 13.22 O ATOM 483 CB ALA A 33 6.129 21.834 -10.081 1.00 74.20 C ATOM 0 H ALA A 33 6.611 23.999 -11.413 1.00 62.53 H new ATOM 0 HA ALA A 33 4.639 23.178 -9.383 1.00 73.21 H new ATOM 0 HB1 ALA A 33 6.058 21.186 -9.207 1.00 74.20 H new ATOM 0 HB2 ALA A 33 5.492 21.444 -10.875 1.00 74.20 H new ATOM 0 HB3 ALA A 33 7.162 21.865 -10.427 1.00 74.20 H new ATOM 489 N ASP A 34 6.094 23.540 -7.349 1.00 73.54 N ATOM 490 CA ASP A 34 6.773 24.085 -6.182 1.00 12.01 C ATOM 491 C ASP A 34 8.100 23.375 -5.934 1.00 25.54 C ATOM 492 O ASP A 34 8.175 22.146 -5.968 1.00 43.40 O ATOM 493 CB ASP A 34 5.876 23.979 -4.949 1.00 72.34 C ATOM 494 CG ASP A 34 6.489 24.647 -3.740 1.00 35.13 C ATOM 495 OD1 ASP A 34 6.956 25.796 -3.870 1.00 44.20 O ATOM 496 OD2 ASP A 34 6.492 24.036 -2.651 1.00 51.51 O ATOM 0 H ASP A 34 5.281 22.962 -7.134 1.00 73.54 H new ATOM 0 HA ASP A 34 6.985 25.136 -6.376 1.00 12.01 H new ATOM 0 HB2 ASP A 34 4.910 24.436 -5.164 1.00 72.34 H new ATOM 0 HB3 ASP A 34 5.689 22.928 -4.726 1.00 72.34 H new ATOM 501 N ILE A 35 9.143 24.157 -5.686 1.00 23.41 N ATOM 502 CA ILE A 35 10.479 23.616 -5.478 1.00 54.34 C ATOM 503 C ILE A 35 10.701 23.251 -4.005 1.00 65.45 C ATOM 504 O ILE A 35 10.456 24.065 -3.112 1.00 14.24 O ATOM 505 CB ILE A 35 11.572 24.618 -5.933 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.377 25.007 -7.404 1.00 72.42 C ATOM 507 CG2 ILE A 35 12.953 24.021 -5.732 1.00 64.03 C ATOM 508 CD1 ILE A 35 12.441 25.947 -7.936 1.00 60.24 C ATOM 0 H ILE A 35 9.088 25.174 -5.624 1.00 23.41 H new ATOM 0 HA ILE A 35 10.558 22.714 -6.085 1.00 54.34 H new ATOM 0 HB ILE A 35 11.483 25.517 -5.323 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.369 24.102 -8.011 1.00 72.42 H new ATOM 0 HG13 ILE A 35 10.400 25.477 -7.519 1.00 72.42 H new ATOM 0 HG21 ILE A 35 13.709 24.736 -6.056 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.100 23.791 -4.677 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.043 23.107 -6.319 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.235 26.176 -8.982 1.00 60.24 H new ATOM 0 HD12 ILE A 35 12.435 26.869 -7.355 1.00 60.24 H new ATOM 0 HD13 ILE A 35 13.419 25.473 -7.855 1.00 60.24 H new ATOM 520 N PRO A 36 11.145 22.006 -3.745 1.00 20.01 N ATOM 521 CA PRO A 36 11.474 21.526 -2.389 1.00 12.02 C ATOM 522 C PRO A 36 12.805 22.110 -1.884 1.00 43.41 C ATOM 523 O PRO A 36 13.145 23.245 -2.214 1.00 52.44 O ATOM 524 CB PRO A 36 11.564 20.005 -2.594 1.00 34.45 C ATOM 525 CG PRO A 36 11.999 19.840 -4.003 1.00 42.11 C ATOM 526 CD PRO A 36 11.350 20.957 -4.766 1.00 44.21 C ATOM 0 HA PRO A 36 10.745 21.822 -1.635 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.277 19.554 -1.904 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.602 19.524 -2.418 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.085 19.890 -4.085 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.694 18.870 -4.395 1.00 42.11 H new ATOM 0 HD2 PRO A 36 11.985 21.308 -5.579 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.406 20.642 -5.212 1.00 44.21 H new ATOM 534 N ALA A 37 13.533 21.364 -1.051 1.00 32.34 N ATOM 535 CA ALA A 37 14.873 21.762 -0.636 1.00 62.32 C ATOM 536 C ALA A 37 15.842 20.590 -0.781 1.00 3.44 C ATOM 537 O ALA A 37 15.421 19.432 -0.773 1.00 34.45 O ATOM 538 CB ALA A 37 14.858 22.268 0.798 1.00 21.30 C ATOM 0 H ALA A 37 13.214 20.481 -0.652 1.00 32.34 H new ATOM 0 HA ALA A 37 15.211 22.573 -1.282 1.00 62.32 H new ATOM 0 HB1 ALA A 37 15.866 22.561 1.091 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.194 23.129 0.873 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.503 21.477 1.459 1.00 21.30 H new ATOM 544 N GLY A 38 17.130 20.888 -0.922 1.00 61.52 N ATOM 545 CA GLY A 38 18.123 19.842 -1.102 1.00 71.31 C ATOM 546 C GLY A 38 18.592 19.757 -2.542 1.00 52.02 C ATOM 547 O GLY A 38 18.973 18.687 -3.026 1.00 65.45 O ATOM 0 H GLY A 38 17.505 21.837 -0.915 1.00 61.52 H new ATOM 0 HA2 GLY A 38 18.976 20.034 -0.452 1.00 71.31 H new ATOM 0 HA3 GLY A 38 17.701 18.884 -0.799 1.00 71.31 H new ATOM 551 N TRP A 39 18.569 20.894 -3.221 1.00 1.04 N ATOM 552 CA TRP A 39 18.823 20.945 -4.654 1.00 71.10 C ATOM 553 C TRP A 39 19.864 21.996 -5.009 1.00 53.52 C ATOM 554 O TRP A 39 20.392 22.693 -4.141 1.00 43.22 O ATOM 555 CB TRP A 39 17.521 21.267 -5.391 1.00 61.05 C ATOM 556 CG TRP A 39 16.789 22.439 -4.804 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.731 22.381 -3.952 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.063 23.839 -5.003 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.328 23.646 -3.610 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.125 24.559 -4.242 1.00 52.15 C ATOM 561 CE3 TRP A 39 18.006 24.552 -5.750 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.102 25.953 -4.205 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.984 25.934 -5.713 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.038 26.621 -4.946 1.00 62.42 C ATOM 0 H TRP A 39 18.375 21.802 -2.798 1.00 1.04 H new ATOM 0 HA TRP A 39 19.206 19.971 -4.957 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.744 21.472 -6.438 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.872 20.392 -5.369 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.274 21.470 -3.596 1.00 40.04 H new ATOM 0 HE1 TRP A 39 14.555 23.870 -2.983 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.740 24.031 -6.347 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 15.372 26.485 -3.613 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.710 26.492 -6.286 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.046 27.701 -4.938 1.00 62.42 H new ATOM 575 N ARG A 40 20.143 22.096 -6.301 1.00 15.10 N ATOM 576 CA ARG A 40 20.972 23.155 -6.847 1.00 61.03 C ATOM 577 C ARG A 40 20.529 23.459 -8.277 1.00 54.24 C ATOM 578 O ARG A 40 20.337 22.544 -9.078 1.00 13.25 O ATOM 579 CB ARG A 40 22.449 22.751 -6.819 1.00 5.24 C ATOM 580 CG ARG A 40 23.383 23.813 -7.376 1.00 52.34 C ATOM 581 CD ARG A 40 24.838 23.389 -7.279 1.00 31.33 C ATOM 582 NE ARG A 40 25.733 24.394 -7.849 1.00 23.32 N ATOM 583 CZ ARG A 40 27.034 24.488 -7.569 1.00 30.25 C ATOM 584 NH1 ARG A 40 27.597 23.652 -6.706 1.00 71.53 N ATOM 585 NH2 ARG A 40 27.768 25.437 -8.143 1.00 14.54 N ATOM 0 H ARG A 40 19.798 21.440 -7.002 1.00 15.10 H new ATOM 0 HA ARG A 40 20.856 24.050 -6.236 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.737 22.530 -5.791 1.00 5.24 H new ATOM 0 HB3 ARG A 40 22.576 21.832 -7.391 1.00 5.24 H new ATOM 0 HG2 ARG A 40 23.130 24.010 -8.418 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.239 24.746 -6.831 1.00 52.34 H new ATOM 0 HD2 ARG A 40 25.099 23.220 -6.234 1.00 31.33 H new ATOM 0 HD3 ARG A 40 24.976 22.441 -7.799 1.00 31.33 H new ATOM 0 HE ARG A 40 25.337 25.068 -8.504 1.00 23.32 H new ATOM 0 HH11 ARG A 40 27.035 22.932 -6.252 1.00 71.53 H new ATOM 0 HH12 ARG A 40 28.592 23.729 -6.496 1.00 71.53 H new ATOM 0 HH21 ARG A 40 27.336 26.091 -8.796 1.00 14.54 H new ATOM 0 HH22 ARG A 40 28.763 25.511 -7.930 1.00 14.54 H new ATOM 599 N VAL A 41 20.324 24.734 -8.583 1.00 40.24 N ATOM 600 CA VAL A 41 19.968 25.135 -9.936 1.00 71.24 C ATOM 601 C VAL A 41 21.237 25.366 -10.748 1.00 31.12 C ATOM 602 O VAL A 41 22.075 26.193 -10.386 1.00 65.41 O ATOM 603 CB VAL A 41 19.098 26.416 -9.951 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.828 26.864 -11.380 1.00 25.00 C ATOM 605 CG2 VAL A 41 17.784 26.191 -9.211 1.00 14.32 C ATOM 0 H VAL A 41 20.398 25.503 -7.917 1.00 40.24 H new ATOM 0 HA VAL A 41 19.379 24.332 -10.378 1.00 71.24 H new ATOM 0 HB VAL A 41 19.650 27.203 -9.437 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.215 27.765 -11.369 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.773 27.074 -11.880 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.302 26.074 -11.916 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.191 27.105 -9.236 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.229 25.386 -9.692 1.00 14.32 H new ATOM 0 HG23 VAL A 41 17.991 25.921 -8.175 1.00 14.32 H new ATOM 615 N VAL A 42 21.393 24.614 -11.829 1.00 40.32 N ATOM 616 CA VAL A 42 22.601 24.703 -12.645 1.00 63.24 C ATOM 617 C VAL A 42 22.346 25.437 -13.956 1.00 50.15 C ATOM 618 O VAL A 42 23.269 25.646 -14.743 1.00 15.22 O ATOM 619 CB VAL A 42 23.198 23.311 -12.944 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.036 22.826 -11.771 1.00 23.52 C ATOM 621 CG2 VAL A 42 22.103 22.306 -13.254 1.00 52.31 C ATOM 0 H VAL A 42 20.704 23.939 -12.162 1.00 40.32 H new ATOM 0 HA VAL A 42 23.321 25.273 -12.058 1.00 63.24 H new ATOM 0 HB VAL A 42 23.840 23.402 -13.820 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.448 21.843 -12.000 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.850 23.528 -11.590 1.00 23.52 H new ATOM 0 HG13 VAL A 42 23.411 22.758 -10.881 1.00 23.52 H new ATOM 0 HG21 VAL A 42 22.550 21.334 -13.461 1.00 52.31 H new ATOM 0 HG22 VAL A 42 21.433 22.223 -12.398 1.00 52.31 H new ATOM 0 HG23 VAL A 42 21.539 22.639 -14.125 1.00 52.31 H new ATOM 631 N HIS A 43 21.101 25.835 -14.178 1.00 32.14 N ATOM 632 CA HIS A 43 20.723 26.522 -15.408 1.00 42.41 C ATOM 633 C HIS A 43 19.295 27.051 -15.284 1.00 1.25 C ATOM 634 O HIS A 43 18.426 26.372 -14.737 1.00 24.14 O ATOM 635 CB HIS A 43 20.848 25.553 -16.592 1.00 4.00 C ATOM 636 CG HIS A 43 20.660 26.171 -17.943 1.00 10.14 C ATOM 637 ND1 HIS A 43 21.707 26.628 -18.710 1.00 72.12 N ATOM 638 CD2 HIS A 43 19.544 26.367 -18.681 1.00 61.44 C ATOM 639 CE1 HIS A 43 21.246 27.076 -19.861 1.00 25.41 C ATOM 640 NE2 HIS A 43 19.935 26.929 -19.869 1.00 3.32 N ATOM 0 H HIS A 43 20.333 25.694 -13.522 1.00 32.14 H new ATOM 0 HA HIS A 43 21.388 27.368 -15.579 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.833 25.087 -16.557 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.114 24.757 -16.469 1.00 4.00 H new ATOM 0 HD1 HIS A 43 22.688 26.621 -18.431 1.00 72.12 H new ATOM 0 HD2 HIS A 43 18.533 26.126 -18.389 1.00 61.44 H new ATOM 0 HE1 HIS A 43 21.840 27.492 -20.661 1.00 25.41 H new ATOM 649 N GLY A 44 19.058 28.254 -15.789 1.00 64.42 N ATOM 650 CA GLY A 44 17.749 28.868 -15.662 1.00 40.31 C ATOM 651 C GLY A 44 16.812 28.493 -16.793 1.00 11.43 C ATOM 652 O GLY A 44 16.960 27.433 -17.406 1.00 14.32 O ATOM 0 H GLY A 44 19.749 28.817 -16.285 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.303 28.570 -14.713 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.862 29.952 -15.634 1.00 40.31 H new ATOM 656 N GLU A 45 15.855 29.371 -17.082 1.00 41.53 N ATOM 657 CA GLU A 45 14.854 29.085 -18.103 1.00 24.13 C ATOM 658 C GLU A 45 15.354 29.427 -19.502 1.00 75.21 C ATOM 659 O GLU A 45 15.367 30.573 -19.937 1.00 73.32 O ATOM 660 CB GLU A 45 13.494 29.754 -17.801 1.00 41.13 C ATOM 661 CG GLU A 45 13.549 31.206 -17.330 1.00 22.15 C ATOM 662 CD GLU A 45 13.487 32.228 -18.451 1.00 40.03 C ATOM 663 OE1 GLU A 45 12.437 32.317 -19.121 1.00 54.25 O ATOM 664 OE2 GLU A 45 14.480 32.965 -18.654 1.00 61.15 O ATOM 0 H GLU A 45 15.752 30.278 -16.628 1.00 41.53 H new ATOM 0 HA GLU A 45 14.684 28.009 -18.075 1.00 24.13 H new ATOM 0 HB2 GLU A 45 12.882 29.708 -18.702 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.984 29.165 -17.039 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.721 31.385 -16.644 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.469 31.358 -16.765 1.00 22.15 H new ATOM 671 N ALA A 46 15.804 28.399 -20.175 1.00 42.34 N ATOM 672 CA ALA A 46 16.179 28.474 -21.578 1.00 4.43 C ATOM 673 C ALA A 46 15.649 27.235 -22.272 1.00 3.13 C ATOM 674 O ALA A 46 15.276 26.295 -21.582 1.00 72.05 O ATOM 675 CB ALA A 46 17.689 28.587 -21.739 1.00 74.23 C ATOM 0 H ALA A 46 15.924 27.472 -19.766 1.00 42.34 H new ATOM 0 HA ALA A 46 15.747 29.367 -22.029 1.00 4.43 H new ATOM 0 HB1 ALA A 46 17.939 28.641 -22.799 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.042 29.487 -21.236 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.168 27.713 -21.297 1.00 74.23 H new ATOM 681 N SER A 47 15.632 27.235 -23.609 1.00 52.43 N ATOM 682 CA SER A 47 15.014 26.156 -24.396 1.00 21.43 C ATOM 683 C SER A 47 15.230 24.776 -23.762 1.00 15.04 C ATOM 684 O SER A 47 16.363 24.385 -23.467 1.00 74.34 O ATOM 685 CB SER A 47 15.585 26.183 -25.812 1.00 75.44 C ATOM 686 OG SER A 47 15.485 27.484 -26.365 1.00 33.40 O ATOM 0 H SER A 47 16.043 27.977 -24.176 1.00 52.43 H new ATOM 0 HA SER A 47 13.938 26.327 -24.420 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.628 25.868 -25.795 1.00 75.44 H new ATOM 0 HB3 SER A 47 15.048 25.473 -26.440 1.00 75.44 H new ATOM 0 HG SER A 47 15.857 27.484 -27.272 1.00 33.40 H new ATOM 692 N ARG A 48 14.136 24.041 -23.578 1.00 24.40 N ATOM 693 CA ARG A 48 14.157 22.779 -22.841 1.00 63.42 C ATOM 694 C ARG A 48 15.016 21.750 -23.567 1.00 12.32 C ATOM 695 O ARG A 48 15.736 20.974 -22.939 1.00 12.12 O ATOM 696 CB ARG A 48 12.726 22.256 -22.642 1.00 31.24 C ATOM 697 CG ARG A 48 12.498 21.531 -21.319 1.00 63.13 C ATOM 698 CD ARG A 48 13.223 20.197 -21.241 1.00 15.30 C ATOM 699 NE ARG A 48 12.769 19.256 -22.263 1.00 30.40 N ATOM 700 CZ ARG A 48 12.347 18.021 -22.005 1.00 64.14 C ATOM 701 NH1 ARG A 48 12.248 17.591 -20.752 1.00 2.12 N ATOM 702 NH2 ARG A 48 12.001 17.217 -23.000 1.00 42.11 N ATOM 0 H ARG A 48 13.216 24.301 -23.933 1.00 24.40 H new ATOM 0 HA ARG A 48 14.598 22.954 -21.860 1.00 63.42 H new ATOM 0 HB2 ARG A 48 12.033 23.095 -22.707 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.483 21.578 -23.460 1.00 31.24 H new ATOM 0 HG2 ARG A 48 12.831 22.168 -20.500 1.00 63.13 H new ATOM 0 HG3 ARG A 48 11.429 21.366 -21.180 1.00 63.13 H new ATOM 0 HD2 ARG A 48 14.295 20.362 -21.353 1.00 15.30 H new ATOM 0 HD3 ARG A 48 13.069 19.760 -20.254 1.00 15.30 H new ATOM 0 HE ARG A 48 12.776 19.566 -23.235 1.00 30.40 H new ATOM 0 HH11 ARG A 48 12.496 18.209 -19.980 1.00 2.12 H new ATOM 0 HH12 ARG A 48 11.924 16.643 -20.562 1.00 2.12 H new ATOM 0 HH21 ARG A 48 12.058 17.545 -23.964 1.00 42.11 H new ATOM 0 HH22 ARG A 48 11.678 16.270 -22.802 1.00 42.11 H new ATOM 716 N ALA A 49 14.947 21.765 -24.892 1.00 71.21 N ATOM 717 CA ALA A 49 15.775 20.890 -25.714 1.00 23.33 C ATOM 718 C ALA A 49 17.258 21.134 -25.454 1.00 12.42 C ATOM 719 O ALA A 49 18.039 20.192 -25.327 1.00 4.23 O ATOM 720 CB ALA A 49 15.452 21.090 -27.188 1.00 24.31 C ATOM 0 H ALA A 49 14.325 22.375 -25.422 1.00 71.21 H new ATOM 0 HA ALA A 49 15.552 19.858 -25.443 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.077 20.431 -27.790 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.402 20.856 -27.365 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.645 22.126 -27.465 1.00 24.31 H new ATOM 726 N ALA A 50 17.630 22.405 -25.347 1.00 1.42 N ATOM 727 CA ALA A 50 19.016 22.782 -25.096 1.00 72.11 C ATOM 728 C ALA A 50 19.419 22.425 -23.671 1.00 72.52 C ATOM 729 O ALA A 50 20.548 22.021 -23.417 1.00 11.34 O ATOM 730 CB ALA A 50 19.215 24.268 -25.350 1.00 20.13 C ATOM 0 H ALA A 50 16.989 23.194 -25.431 1.00 1.42 H new ATOM 0 HA ALA A 50 19.654 22.225 -25.782 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.255 24.534 -25.158 1.00 20.13 H new ATOM 0 HB2 ALA A 50 18.967 24.496 -26.387 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.566 24.841 -24.687 1.00 20.13 H new ATOM 736 N CYS A 51 18.482 22.579 -22.743 1.00 34.11 N ATOM 737 CA CYS A 51 18.720 22.218 -21.352 1.00 53.12 C ATOM 738 C CYS A 51 18.925 20.711 -21.210 1.00 24.13 C ATOM 739 O CYS A 51 19.836 20.255 -20.506 1.00 22.31 O ATOM 740 CB CYS A 51 17.548 22.674 -20.488 1.00 2.53 C ATOM 741 SG CYS A 51 17.313 24.464 -20.461 1.00 11.35 S ATOM 0 H CYS A 51 17.551 22.951 -22.929 1.00 34.11 H new ATOM 0 HA CYS A 51 19.628 22.719 -21.015 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.635 22.203 -20.853 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.703 22.322 -19.468 1.00 2.53 H new ATOM 0 HG CYS A 51 16.395 24.794 -21.321 1.00 11.35 H new ATOM 747 N LEU A 52 18.080 19.944 -21.892 1.00 14.24 N ATOM 748 CA LEU A 52 18.184 18.495 -21.891 1.00 14.11 C ATOM 749 C LEU A 52 19.511 18.069 -22.499 1.00 14.41 C ATOM 750 O LEU A 52 20.201 17.215 -21.955 1.00 13.15 O ATOM 751 CB LEU A 52 17.025 17.879 -22.674 1.00 54.05 C ATOM 752 CG LEU A 52 16.353 16.686 -21.993 1.00 21.41 C ATOM 753 CD1 LEU A 52 15.593 17.135 -20.761 1.00 71.20 C ATOM 754 CD2 LEU A 52 15.431 15.964 -22.964 1.00 63.03 C ATOM 0 H LEU A 52 17.312 20.308 -22.455 1.00 14.24 H new ATOM 0 HA LEU A 52 18.136 18.141 -20.861 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.274 18.649 -22.850 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.392 17.563 -23.650 1.00 54.05 H new ATOM 0 HG LEU A 52 17.129 15.987 -21.679 1.00 21.41 H new ATOM 0 HD11 LEU A 52 15.122 16.273 -20.290 1.00 71.20 H new ATOM 0 HD12 LEU A 52 16.283 17.601 -20.057 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.827 17.855 -21.048 1.00 71.20 H new ATOM 0 HD21 LEU A 52 14.963 15.118 -22.460 1.00 63.03 H new ATOM 0 HD22 LEU A 52 14.660 16.651 -23.313 1.00 63.03 H new ATOM 0 HD23 LEU A 52 16.009 15.604 -23.815 1.00 63.03 H new ATOM 766 N ASP A 53 19.876 18.687 -23.610 1.00 61.53 N ATOM 767 CA ASP A 53 21.134 18.377 -24.269 1.00 54.43 C ATOM 768 C ASP A 53 22.311 18.702 -23.355 1.00 63.52 C ATOM 769 O ASP A 53 23.275 17.940 -23.275 1.00 62.44 O ATOM 770 CB ASP A 53 21.261 19.147 -25.582 1.00 40.30 C ATOM 771 CG ASP A 53 22.444 18.678 -26.397 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.339 17.613 -27.041 1.00 63.05 O ATOM 773 OD2 ASP A 53 23.488 19.359 -26.397 1.00 1.13 O ATOM 0 H ASP A 53 19.320 19.405 -24.074 1.00 61.53 H new ATOM 0 HA ASP A 53 21.146 17.310 -24.490 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.348 19.025 -26.164 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.365 20.211 -25.370 1.00 40.30 H new ATOM 778 N TYR A 54 22.211 19.824 -22.648 1.00 62.01 N ATOM 779 CA TYR A 54 23.247 20.245 -21.712 1.00 33.33 C ATOM 780 C TYR A 54 23.453 19.204 -20.612 1.00 54.33 C ATOM 781 O TYR A 54 24.584 18.787 -20.346 1.00 52.04 O ATOM 782 CB TYR A 54 22.894 21.599 -21.084 1.00 21.41 C ATOM 783 CG TYR A 54 23.916 22.087 -20.076 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.179 22.488 -20.489 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.621 22.145 -18.716 1.00 62.33 C ATOM 786 CE1 TYR A 54 26.122 22.926 -19.579 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.559 22.586 -17.802 1.00 32.53 C ATOM 788 CZ TYR A 54 25.807 22.974 -18.239 1.00 2.30 C ATOM 789 OH TYR A 54 26.744 23.406 -17.331 1.00 25.04 O ATOM 0 H TYR A 54 21.417 20.461 -22.707 1.00 62.01 H new ATOM 0 HA TYR A 54 24.176 20.345 -22.274 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.794 22.342 -21.875 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.923 21.521 -20.595 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.429 22.457 -21.539 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.644 21.841 -18.370 1.00 62.33 H new ATOM 0 HE1 TYR A 54 27.102 23.229 -19.917 1.00 53.11 H new ATOM 0 HE2 TYR A 54 24.315 22.626 -16.751 1.00 32.53 H new ATOM 0 HH TYR A 54 26.362 23.380 -16.429 1.00 25.04 H new ATOM 799 N VAL A 55 22.366 18.783 -19.974 1.00 13.21 N ATOM 800 CA VAL A 55 22.469 17.834 -18.868 1.00 73.54 C ATOM 801 C VAL A 55 22.910 16.457 -19.356 1.00 63.52 C ATOM 802 O VAL A 55 23.651 15.753 -18.673 1.00 1.14 O ATOM 803 CB VAL A 55 21.145 17.709 -18.074 1.00 74.32 C ATOM 804 CG1 VAL A 55 20.740 19.057 -17.509 1.00 11.35 C ATOM 805 CG2 VAL A 55 20.024 17.138 -18.930 1.00 3.21 C ATOM 0 H VAL A 55 21.416 19.078 -20.198 1.00 13.21 H new ATOM 0 HA VAL A 55 23.228 18.232 -18.195 1.00 73.54 H new ATOM 0 HB VAL A 55 21.319 17.014 -17.252 1.00 74.32 H new ATOM 0 HG11 VAL A 55 19.808 18.954 -16.954 1.00 11.35 H new ATOM 0 HG12 VAL A 55 21.521 19.422 -16.842 1.00 11.35 H new ATOM 0 HG13 VAL A 55 20.599 19.766 -18.325 1.00 11.35 H new ATOM 0 HG21 VAL A 55 19.113 17.066 -18.336 1.00 3.21 H new ATOM 0 HG22 VAL A 55 19.850 17.792 -19.785 1.00 3.21 H new ATOM 0 HG23 VAL A 55 20.305 16.146 -19.284 1.00 3.21 H new ATOM 815 N GLU A 56 22.459 16.085 -20.544 1.00 10.40 N ATOM 816 CA GLU A 56 22.784 14.790 -21.124 1.00 61.52 C ATOM 817 C GLU A 56 24.238 14.726 -21.595 1.00 34.54 C ATOM 818 O GLU A 56 24.848 13.660 -21.597 1.00 73.34 O ATOM 819 CB GLU A 56 21.810 14.479 -22.254 1.00 74.35 C ATOM 820 CG GLU A 56 20.394 14.234 -21.747 1.00 71.41 C ATOM 821 CD GLU A 56 20.223 12.852 -21.144 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.910 11.908 -21.896 1.00 13.14 O ATOM 823 OE2 GLU A 56 20.415 12.698 -19.919 1.00 12.33 O ATOM 0 H GLU A 56 21.861 16.667 -21.130 1.00 10.40 H new ATOM 0 HA GLU A 56 22.680 14.027 -20.352 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.802 15.308 -22.962 1.00 74.35 H new ATOM 0 HB3 GLU A 56 22.156 13.600 -22.797 1.00 74.35 H new ATOM 0 HG2 GLU A 56 20.144 14.987 -20.999 1.00 71.41 H new ATOM 0 HG3 GLU A 56 19.690 14.357 -22.570 1.00 71.41 H new ATOM 830 N LYS A 57 24.796 15.865 -21.997 1.00 70.11 N ATOM 831 CA LYS A 57 26.212 15.924 -22.356 1.00 60.22 C ATOM 832 C LYS A 57 27.089 15.931 -21.104 1.00 10.13 C ATOM 833 O LYS A 57 28.295 15.699 -21.175 1.00 34.22 O ATOM 834 CB LYS A 57 26.518 17.146 -23.226 1.00 64.25 C ATOM 835 CG LYS A 57 26.200 16.943 -24.699 1.00 75.40 C ATOM 836 CD LYS A 57 26.622 18.143 -25.530 1.00 11.15 C ATOM 837 CE LYS A 57 26.487 17.869 -27.020 1.00 5.52 C ATOM 838 NZ LYS A 57 25.092 17.528 -27.408 1.00 33.13 N ATOM 0 H LYS A 57 24.297 16.751 -22.082 1.00 70.11 H new ATOM 0 HA LYS A 57 26.440 15.031 -22.937 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.948 17.997 -22.854 1.00 64.25 H new ATOM 0 HB3 LYS A 57 27.573 17.399 -23.123 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.709 16.050 -25.063 1.00 75.40 H new ATOM 0 HG3 LYS A 57 25.130 16.772 -24.821 1.00 75.40 H new ATOM 0 HD2 LYS A 57 26.011 19.005 -25.261 1.00 11.15 H new ATOM 0 HD3 LYS A 57 27.656 18.400 -25.299 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.813 18.746 -27.579 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.150 17.049 -27.298 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 25.087 17.123 -28.366 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 24.705 16.834 -26.737 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.507 18.388 -27.393 1.00 33.13 H new ATOM 852 N ASN A 58 26.470 16.201 -19.962 1.00 5.40 N ATOM 853 CA ASN A 58 27.160 16.159 -18.676 1.00 62.23 C ATOM 854 C ASN A 58 26.947 14.806 -18.014 1.00 64.30 C ATOM 855 O ASN A 58 27.207 14.628 -16.822 1.00 2.42 O ATOM 856 CB ASN A 58 26.667 17.286 -17.764 1.00 60.13 C ATOM 857 CG ASN A 58 27.427 18.580 -17.980 1.00 21.12 C ATOM 858 OD1 ASN A 58 28.417 18.850 -17.299 1.00 45.43 O ATOM 859 ND2 ASN A 58 26.975 19.389 -18.929 1.00 73.12 N ATOM 0 H ASN A 58 25.484 16.453 -19.899 1.00 5.40 H new ATOM 0 HA ASN A 58 28.227 16.301 -18.847 1.00 62.23 H new ATOM 0 HB2 ASN A 58 25.606 17.457 -17.944 1.00 60.13 H new ATOM 0 HB3 ASN A 58 26.768 16.978 -16.723 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.451 20.271 -19.116 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.151 19.129 -19.471 1.00 73.12 H new ATOM 866 N TRP A 59 26.474 13.854 -18.805 1.00 74.44 N ATOM 867 CA TRP A 59 26.222 12.504 -18.331 1.00 50.11 C ATOM 868 C TRP A 59 27.496 11.668 -18.484 1.00 20.21 C ATOM 869 O TRP A 59 28.593 12.217 -18.589 1.00 31.04 O ATOM 870 CB TRP A 59 25.052 11.901 -19.124 1.00 2.31 C ATOM 871 CG TRP A 59 24.372 10.754 -18.444 1.00 72.22 C ATOM 872 CD1 TRP A 59 23.903 10.720 -17.163 1.00 32.41 C ATOM 873 CD2 TRP A 59 24.061 9.483 -19.022 1.00 42.01 C ATOM 874 NE1 TRP A 59 23.332 9.498 -16.904 1.00 45.01 N ATOM 875 CE2 TRP A 59 23.414 8.722 -18.031 1.00 71.53 C ATOM 876 CE3 TRP A 59 24.269 8.914 -20.282 1.00 43.25 C ATOM 877 CZ2 TRP A 59 22.979 7.420 -18.259 1.00 24.34 C ATOM 878 CZ3 TRP A 59 23.834 7.622 -20.508 1.00 73.44 C ATOM 879 CH2 TRP A 59 23.194 6.889 -19.501 1.00 44.54 C ATOM 0 H TRP A 59 26.255 13.997 -19.791 1.00 74.44 H new ATOM 0 HA TRP A 59 25.949 12.514 -17.276 1.00 50.11 H new ATOM 0 HB2 TRP A 59 24.317 12.683 -19.315 1.00 2.31 H new ATOM 0 HB3 TRP A 59 25.420 11.566 -20.094 1.00 2.31 H new ATOM 0 HD1 TRP A 59 23.971 11.534 -16.457 1.00 32.41 H new ATOM 0 HE1 TRP A 59 22.915 9.214 -16.018 1.00 45.01 H new ATOM 0 HE3 TRP A 59 24.760 9.474 -21.064 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 22.489 6.850 -17.484 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 23.990 7.170 -21.477 1.00 73.44 H new ATOM 0 HH2 TRP A 59 22.863 5.882 -19.710 1.00 44.54 H new ATOM 890 N THR A 60 27.365 10.348 -18.492 1.00 25.34 N ATOM 891 CA THR A 60 28.528 9.474 -18.569 1.00 53.12 C ATOM 892 C THR A 60 28.924 9.191 -20.019 1.00 52.32 C ATOM 893 O THR A 60 29.948 8.556 -20.275 1.00 3.14 O ATOM 894 CB THR A 60 28.279 8.139 -17.827 1.00 72.14 C ATOM 895 OG1 THR A 60 29.472 7.343 -17.823 1.00 12.01 O ATOM 896 CG2 THR A 60 27.147 7.351 -18.471 1.00 24.55 C ATOM 0 H THR A 60 26.470 9.861 -18.446 1.00 25.34 H new ATOM 0 HA THR A 60 29.349 9.999 -18.081 1.00 53.12 H new ATOM 0 HB THR A 60 27.995 8.378 -16.802 1.00 72.14 H new ATOM 0 HG1 THR A 60 29.974 7.501 -18.650 1.00 12.01 H new ATOM 0 HG21 THR A 60 26.997 6.419 -17.927 1.00 24.55 H new ATOM 0 HG22 THR A 60 26.230 7.940 -18.441 1.00 24.55 H new ATOM 0 HG23 THR A 60 27.402 7.129 -19.507 1.00 24.55 H new ATOM 904 N ASP A 61 28.122 9.661 -20.966 1.00 33.13 N ATOM 905 CA ASP A 61 28.404 9.424 -22.378 1.00 24.12 C ATOM 906 C ASP A 61 29.062 10.647 -23.003 1.00 25.15 C ATOM 907 O ASP A 61 28.402 11.642 -23.300 1.00 35.34 O ATOM 908 CB ASP A 61 27.123 9.060 -23.134 1.00 2.25 C ATOM 909 CG ASP A 61 27.381 8.728 -24.594 1.00 11.43 C ATOM 910 OD1 ASP A 61 28.167 7.794 -24.871 1.00 4.15 O ATOM 911 OD2 ASP A 61 26.783 9.378 -25.471 1.00 12.31 O ATOM 0 H ASP A 61 27.278 10.204 -20.786 1.00 33.13 H new ATOM 0 HA ASP A 61 29.094 8.584 -22.451 1.00 24.12 H new ATOM 0 HB2 ASP A 61 26.649 8.206 -22.649 1.00 2.25 H new ATOM 0 HB3 ASP A 61 26.421 9.891 -23.073 1.00 2.25 H new ATOM 916 N LEU A 62 30.373 10.564 -23.181 1.00 21.55 N ATOM 917 CA LEU A 62 31.157 11.676 -23.700 1.00 3.00 C ATOM 918 C LEU A 62 30.953 11.827 -25.204 1.00 51.34 C ATOM 919 O LEU A 62 31.123 10.870 -25.961 1.00 51.51 O ATOM 920 CB LEU A 62 32.641 11.461 -23.393 1.00 71.54 C ATOM 921 CG LEU A 62 32.997 11.363 -21.907 1.00 32.22 C ATOM 922 CD1 LEU A 62 34.490 11.117 -21.728 1.00 31.24 C ATOM 923 CD2 LEU A 62 32.576 12.629 -21.172 1.00 22.21 C ATOM 0 H LEU A 62 30.920 9.729 -22.971 1.00 21.55 H new ATOM 0 HA LEU A 62 30.819 12.591 -23.213 1.00 3.00 H new ATOM 0 HB2 LEU A 62 32.968 10.547 -23.889 1.00 71.54 H new ATOM 0 HB3 LEU A 62 33.208 12.282 -23.832 1.00 71.54 H new ATOM 0 HG LEU A 62 32.455 10.519 -21.481 1.00 32.22 H new ATOM 0 HD11 LEU A 62 34.723 11.050 -20.665 1.00 31.24 H new ATOM 0 HD12 LEU A 62 34.766 10.184 -22.219 1.00 31.24 H new ATOM 0 HD13 LEU A 62 35.050 11.940 -22.171 1.00 31.24 H new ATOM 0 HD21 LEU A 62 32.837 12.541 -20.117 1.00 22.21 H new ATOM 0 HD22 LEU A 62 33.090 13.488 -21.603 1.00 22.21 H new ATOM 0 HD23 LEU A 62 31.499 12.765 -21.269 1.00 22.21 H new ATOM 935 N ARG A 63 30.586 13.026 -25.630 1.00 42.45 N ATOM 936 CA ARG A 63 30.358 13.299 -27.041 1.00 32.00 C ATOM 937 C ARG A 63 31.081 14.568 -27.462 1.00 0.32 C ATOM 938 O ARG A 63 31.066 15.567 -26.739 1.00 73.24 O ATOM 939 CB ARG A 63 28.863 13.456 -27.326 1.00 41.05 C ATOM 940 CG ARG A 63 28.040 12.232 -26.979 1.00 42.42 C ATOM 941 CD ARG A 63 26.575 12.440 -27.314 1.00 14.22 C ATOM 942 NE ARG A 63 25.761 11.302 -26.902 1.00 25.55 N ATOM 943 CZ ARG A 63 24.506 11.102 -27.290 1.00 25.12 C ATOM 944 NH1 ARG A 63 23.933 11.937 -28.151 1.00 1.23 N ATOM 945 NH2 ARG A 63 23.832 10.051 -26.835 1.00 53.21 N ATOM 0 H ARG A 63 30.439 13.828 -25.017 1.00 42.45 H new ATOM 0 HA ARG A 63 30.746 12.455 -27.611 1.00 32.00 H new ATOM 0 HB2 ARG A 63 28.483 14.309 -26.763 1.00 41.05 H new ATOM 0 HB3 ARG A 63 28.727 13.686 -28.383 1.00 41.05 H new ATOM 0 HG2 ARG A 63 28.421 11.368 -27.524 1.00 42.42 H new ATOM 0 HG3 ARG A 63 28.144 12.010 -25.917 1.00 42.42 H new ATOM 0 HD2 ARG A 63 26.214 13.343 -26.822 1.00 14.22 H new ATOM 0 HD3 ARG A 63 26.466 12.596 -28.387 1.00 14.22 H new ATOM 0 HE ARG A 63 26.182 10.616 -26.276 1.00 25.55 H new ATOM 0 HH11 ARG A 63 24.457 12.733 -28.515 1.00 1.23 H new ATOM 0 HH12 ARG A 63 22.970 11.782 -28.448 1.00 1.23 H new ATOM 0 HH21 ARG A 63 24.278 9.400 -26.189 1.00 53.21 H new ATOM 0 HH22 ARG A 63 22.869 9.896 -27.132 1.00 53.21 H new ATOM 959 N PRO A 64 31.726 14.545 -28.636 1.00 42.03 N ATOM 960 CA PRO A 64 32.386 15.723 -29.195 1.00 50.30 C ATOM 961 C PRO A 64 31.383 16.833 -29.488 1.00 15.45 C ATOM 962 O PRO A 64 30.306 16.573 -30.027 1.00 33.12 O ATOM 963 CB PRO A 64 33.010 15.216 -30.501 1.00 33.03 C ATOM 964 CG PRO A 64 33.010 13.728 -30.394 1.00 44.51 C ATOM 965 CD PRO A 64 31.857 13.369 -29.509 1.00 5.45 C ATOM 0 HA PRO A 64 33.117 16.148 -28.507 1.00 50.30 H new ATOM 0 HB2 PRO A 64 32.434 15.547 -31.365 1.00 33.03 H new ATOM 0 HB3 PRO A 64 34.022 15.600 -30.627 1.00 33.03 H new ATOM 0 HG2 PRO A 64 32.904 13.268 -31.376 1.00 44.51 H new ATOM 0 HG3 PRO A 64 33.949 13.369 -29.973 1.00 44.51 H new ATOM 0 HD2 PRO A 64 30.948 13.191 -30.084 1.00 5.45 H new ATOM 0 HD3 PRO A 64 32.055 12.463 -28.937 1.00 5.45 H new ATOM 973 N LYS A 65 31.730 18.059 -29.127 1.00 63.55 N ATOM 974 CA LYS A 65 30.854 19.202 -29.366 1.00 13.53 C ATOM 975 C LYS A 65 30.703 19.458 -30.865 1.00 63.33 C ATOM 976 O LYS A 65 31.592 20.020 -31.502 1.00 73.10 O ATOM 977 CB LYS A 65 31.382 20.463 -28.667 1.00 62.35 C ATOM 978 CG LYS A 65 31.084 20.532 -27.173 1.00 44.04 C ATOM 979 CD LYS A 65 31.775 19.426 -26.389 1.00 24.10 C ATOM 980 CE LYS A 65 31.556 19.590 -24.894 1.00 53.25 C ATOM 981 NZ LYS A 65 32.185 18.496 -24.112 1.00 31.21 N ATOM 0 H LYS A 65 32.611 18.291 -28.668 1.00 63.55 H new ATOM 0 HA LYS A 65 29.876 18.964 -28.947 1.00 13.53 H new ATOM 0 HB2 LYS A 65 32.461 20.518 -28.812 1.00 62.35 H new ATOM 0 HB3 LYS A 65 30.950 21.339 -29.151 1.00 62.35 H new ATOM 0 HG2 LYS A 65 31.403 21.500 -26.787 1.00 44.04 H new ATOM 0 HG3 LYS A 65 30.007 20.465 -27.017 1.00 44.04 H new ATOM 0 HD2 LYS A 65 31.394 18.457 -26.710 1.00 24.10 H new ATOM 0 HD3 LYS A 65 32.843 19.436 -26.606 1.00 24.10 H new ATOM 0 HE2 LYS A 65 31.966 20.547 -24.571 1.00 53.25 H new ATOM 0 HE3 LYS A 65 30.486 19.615 -24.686 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 32.010 18.649 -23.098 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 31.776 17.584 -24.400 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 33.210 18.488 -24.289 1.00 31.21 H new ATOM 995 N SER A 66 29.581 19.022 -31.421 1.00 23.25 N ATOM 996 CA SER A 66 29.318 19.182 -32.845 1.00 12.53 C ATOM 997 C SER A 66 28.342 20.330 -33.088 1.00 33.45 C ATOM 998 O SER A 66 27.772 20.464 -34.171 1.00 53.54 O ATOM 999 CB SER A 66 28.759 17.873 -33.411 1.00 3.34 C ATOM 1000 OG SER A 66 29.595 16.779 -33.064 1.00 43.50 O ATOM 0 H SER A 66 28.836 18.553 -30.906 1.00 23.25 H new ATOM 0 HA SER A 66 30.252 19.423 -33.353 1.00 12.53 H new ATOM 0 HB2 SER A 66 27.753 17.705 -33.026 1.00 3.34 H new ATOM 0 HB3 SER A 66 28.678 17.945 -34.496 1.00 3.34 H new ATOM 0 HG SER A 66 29.221 15.952 -33.433 1.00 43.50 H new ATOM 1006 N LEU A 67 28.162 21.162 -32.076 1.00 44.51 N ATOM 1007 CA LEU A 67 27.260 22.294 -32.174 1.00 12.45 C ATOM 1008 C LEU A 67 28.043 23.600 -32.197 1.00 63.32 C ATOM 1009 O LEU A 67 28.847 23.869 -31.304 1.00 55.43 O ATOM 1010 CB LEU A 67 26.271 22.295 -31.008 1.00 61.34 C ATOM 1011 CG LEU A 67 25.305 21.107 -30.972 1.00 40.13 C ATOM 1012 CD1 LEU A 67 24.409 21.190 -29.745 1.00 43.43 C ATOM 1013 CD2 LEU A 67 24.471 21.063 -32.247 1.00 40.31 C ATOM 0 H LEU A 67 28.631 21.073 -31.175 1.00 44.51 H new ATOM 0 HA LEU A 67 26.701 22.205 -33.106 1.00 12.45 H new ATOM 0 HB2 LEU A 67 26.834 22.313 -30.075 1.00 61.34 H new ATOM 0 HB3 LEU A 67 25.689 23.215 -31.047 1.00 61.34 H new ATOM 0 HG LEU A 67 25.885 20.186 -30.910 1.00 40.13 H new ATOM 0 HD11 LEU A 67 23.728 20.339 -29.733 1.00 43.43 H new ATOM 0 HD12 LEU A 67 25.023 21.176 -28.844 1.00 43.43 H new ATOM 0 HD13 LEU A 67 23.833 22.115 -29.777 1.00 43.43 H new ATOM 0 HD21 LEU A 67 23.789 20.213 -32.207 1.00 40.31 H new ATOM 0 HD22 LEU A 67 23.897 21.985 -32.338 1.00 40.31 H new ATOM 0 HD23 LEU A 67 25.130 20.959 -33.109 1.00 40.31 H new ATOM 1025 N ARG A 68 27.816 24.391 -33.231 1.00 14.23 N ATOM 1026 CA ARG A 68 28.456 25.687 -33.357 1.00 22.22 C ATOM 1027 C ARG A 68 27.475 26.765 -32.909 1.00 73.40 C ATOM 1028 O ARG A 68 26.512 27.060 -33.619 1.00 12.31 O ATOM 1029 CB ARG A 68 28.888 25.918 -34.815 1.00 54.24 C ATOM 1030 CG ARG A 68 29.982 26.970 -35.011 1.00 45.11 C ATOM 1031 CD ARG A 68 29.533 28.376 -34.628 1.00 35.31 C ATOM 1032 NE ARG A 68 28.262 28.742 -35.250 1.00 31.44 N ATOM 1033 CZ ARG A 68 27.684 29.936 -35.123 1.00 50.02 C ATOM 1034 NH1 ARG A 68 28.310 30.921 -34.492 1.00 73.03 N ATOM 1035 NH2 ARG A 68 26.482 30.149 -35.643 1.00 42.20 N ATOM 0 H ARG A 68 27.189 24.155 -34.000 1.00 14.23 H new ATOM 0 HA ARG A 68 29.346 25.727 -32.729 1.00 22.22 H new ATOM 0 HB2 ARG A 68 29.238 24.972 -35.228 1.00 54.24 H new ATOM 0 HB3 ARG A 68 28.013 26.214 -35.394 1.00 54.24 H new ATOM 0 HG2 ARG A 68 30.852 26.697 -34.413 1.00 45.11 H new ATOM 0 HG3 ARG A 68 30.298 26.967 -36.054 1.00 45.11 H new ATOM 0 HD2 ARG A 68 29.437 28.441 -33.544 1.00 35.31 H new ATOM 0 HD3 ARG A 68 30.299 29.093 -34.924 1.00 35.31 H new ATOM 0 HE ARG A 68 27.788 28.039 -35.817 1.00 31.44 H new ATOM 0 HH11 ARG A 68 29.239 30.767 -34.101 1.00 73.03 H new ATOM 0 HH12 ARG A 68 27.862 31.833 -34.398 1.00 73.03 H new ATOM 0 HH21 ARG A 68 26.001 29.399 -36.140 1.00 42.20 H new ATOM 0 HH22 ARG A 68 26.039 31.063 -35.546 1.00 42.20 H new ATOM 1049 N ASP A 69 27.710 27.324 -31.729 1.00 43.42 N ATOM 1050 CA ASP A 69 26.873 28.394 -31.195 1.00 35.03 C ATOM 1051 C ASP A 69 27.490 28.926 -29.906 1.00 44.35 C ATOM 1052 O ASP A 69 28.508 28.402 -29.440 1.00 24.24 O ATOM 1053 CB ASP A 69 25.447 27.897 -30.926 1.00 15.24 C ATOM 1054 CG ASP A 69 24.417 29.008 -31.026 1.00 5.01 C ATOM 1055 OD1 ASP A 69 24.328 29.838 -30.096 1.00 2.22 O ATOM 1056 OD2 ASP A 69 23.698 29.063 -32.047 1.00 51.34 O ATOM 0 H ASP A 69 28.480 27.052 -31.118 1.00 43.42 H new ATOM 0 HA ASP A 69 26.818 29.193 -31.934 1.00 35.03 H new ATOM 0 HB2 ASP A 69 25.199 27.110 -31.639 1.00 15.24 H new ATOM 0 HB3 ASP A 69 25.402 27.452 -29.932 1.00 15.24 H new ATOM 1061 N ALA A 70 26.873 29.947 -29.328 1.00 31.34 N ATOM 1062 CA ALA A 70 27.389 30.567 -28.115 1.00 34.42 C ATOM 1063 C ALA A 70 26.313 31.379 -27.396 1.00 3.43 C ATOM 1064 O ALA A 70 26.594 32.039 -26.396 1.00 31.54 O ATOM 1065 CB ALA A 70 28.579 31.458 -28.443 1.00 74.14 C ATOM 0 H ALA A 70 26.012 30.365 -29.681 1.00 31.34 H new ATOM 0 HA ALA A 70 27.709 29.767 -27.447 1.00 34.42 H new ATOM 0 HB1 ALA A 70 28.955 31.915 -27.527 1.00 74.14 H new ATOM 0 HB2 ALA A 70 29.367 30.859 -28.899 1.00 74.14 H new ATOM 0 HB3 ALA A 70 28.268 32.239 -29.137 1.00 74.14 H new ATOM 1071 N MET A 71 25.080 31.329 -27.894 1.00 45.13 N ATOM 1072 CA MET A 71 24.002 32.112 -27.303 1.00 4.24 C ATOM 1073 C MET A 71 22.932 31.207 -26.705 1.00 23.21 C ATOM 1074 O MET A 71 22.100 30.646 -27.421 1.00 22.34 O ATOM 1075 CB MET A 71 23.372 33.049 -28.337 1.00 35.40 C ATOM 1076 CG MET A 71 22.321 33.980 -27.745 1.00 23.12 C ATOM 1077 SD MET A 71 21.500 35.000 -28.988 1.00 51.33 S ATOM 1078 CE MET A 71 20.638 33.745 -29.934 1.00 40.34 C ATOM 0 H MET A 71 24.806 30.761 -28.696 1.00 45.13 H new ATOM 0 HA MET A 71 24.436 32.714 -26.505 1.00 4.24 H new ATOM 0 HB2 MET A 71 24.157 33.647 -28.801 1.00 35.40 H new ATOM 0 HB3 MET A 71 22.916 32.453 -29.127 1.00 35.40 H new ATOM 0 HG2 MET A 71 21.573 33.387 -27.219 1.00 23.12 H new ATOM 0 HG3 MET A 71 22.792 34.627 -27.006 1.00 23.12 H new ATOM 0 HE1 MET A 71 19.825 34.206 -30.495 1.00 40.34 H new ATOM 0 HE2 MET A 71 21.333 33.270 -30.627 1.00 40.34 H new ATOM 0 HE3 MET A 71 20.231 32.994 -29.257 1.00 40.34 H new ATOM 1088 N VAL A 72 22.973 31.063 -25.392 1.00 63.22 N ATOM 1089 CA VAL A 72 21.992 30.279 -24.657 1.00 20.35 C ATOM 1090 C VAL A 72 22.135 30.562 -23.163 1.00 74.04 C ATOM 1091 O VAL A 72 23.128 30.182 -22.538 1.00 55.44 O ATOM 1092 CB VAL A 72 22.112 28.756 -24.952 1.00 25.34 C ATOM 1093 CG1 VAL A 72 23.531 28.246 -24.729 1.00 15.15 C ATOM 1094 CG2 VAL A 72 21.114 27.964 -24.114 1.00 1.10 C ATOM 0 H VAL A 72 23.689 31.487 -24.802 1.00 63.22 H new ATOM 0 HA VAL A 72 20.998 30.579 -24.990 1.00 20.35 H new ATOM 0 HB VAL A 72 21.875 28.607 -26.005 1.00 25.34 H new ATOM 0 HG11 VAL A 72 23.572 27.179 -24.946 1.00 15.15 H new ATOM 0 HG12 VAL A 72 24.217 28.777 -25.389 1.00 15.15 H new ATOM 0 HG13 VAL A 72 23.820 28.417 -23.692 1.00 15.15 H new ATOM 0 HG21 VAL A 72 21.215 26.902 -24.336 1.00 1.10 H new ATOM 0 HG22 VAL A 72 21.312 28.134 -23.056 1.00 1.10 H new ATOM 0 HG23 VAL A 72 20.101 28.289 -24.351 1.00 1.10 H new ATOM 1104 N GLU A 73 21.147 31.269 -22.613 1.00 42.10 N ATOM 1105 CA GLU A 73 21.193 31.748 -21.232 1.00 31.53 C ATOM 1106 C GLU A 73 22.286 32.805 -21.096 1.00 63.01 C ATOM 1107 O GLU A 73 23.431 32.503 -20.750 1.00 71.10 O ATOM 1108 CB GLU A 73 21.420 30.599 -20.248 1.00 14.44 C ATOM 1109 CG GLU A 73 21.428 31.031 -18.795 1.00 61.51 C ATOM 1110 CD GLU A 73 21.857 29.913 -17.875 1.00 54.52 C ATOM 1111 OE1 GLU A 73 23.080 29.732 -17.686 1.00 71.22 O ATOM 1112 OE2 GLU A 73 20.979 29.201 -17.356 1.00 45.14 O ATOM 0 H GLU A 73 20.295 31.525 -23.111 1.00 42.10 H new ATOM 0 HA GLU A 73 20.229 32.195 -20.987 1.00 31.53 H new ATOM 0 HB2 GLU A 73 20.640 29.851 -20.391 1.00 14.44 H new ATOM 0 HB3 GLU A 73 22.370 30.117 -20.479 1.00 14.44 H new ATOM 0 HG2 GLU A 73 22.101 31.880 -18.673 1.00 61.51 H new ATOM 0 HG3 GLU A 73 20.432 31.371 -18.512 1.00 61.51 H new ATOM 1119 N ASP A 74 21.926 34.037 -21.407 1.00 54.20 N ATOM 1120 CA ASP A 74 22.882 35.130 -21.436 1.00 62.35 C ATOM 1121 C ASP A 74 23.023 35.752 -20.059 1.00 53.00 C ATOM 1122 O ASP A 74 24.091 35.575 -19.435 1.00 23.45 O ATOM 1123 CB ASP A 74 22.458 36.187 -22.459 1.00 30.50 C ATOM 1124 CG ASP A 74 22.413 35.636 -23.869 1.00 30.14 C ATOM 1125 OD1 ASP A 74 23.491 35.445 -24.476 1.00 23.10 O ATOM 1126 OD2 ASP A 74 21.298 35.394 -24.382 1.00 50.44 O ATOM 1127 OXT ASP A 74 22.067 36.401 -19.597 1.00 0.00 O ATOM 0 H ASP A 74 20.972 34.307 -21.645 1.00 54.20 H new ATOM 0 HA ASP A 74 23.851 34.730 -21.734 1.00 62.35 H new ATOM 0 HB2 ASP A 74 21.475 36.575 -22.191 1.00 30.50 H new ATOM 0 HB3 ASP A 74 23.153 37.026 -22.421 1.00 30.50 H new TER 1132 ASP A 74