USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 765 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 ALA N :NH3+ 158:sc= -0.693 (180deg=-2.29!) USER MOD Single : A 6 ASN : amide:sc= -0.685 X(o=-0.68,f=-0.31) USER MOD Single : A 9 THR OG1 : rot 79:sc= 0.175 USER MOD Single : A 11 ASN : amide:sc= -4.03! C(o=-4!,f=-4.5!) USER MOD Single : A 13 ASN : amide:sc= -0.964! C(o=-0.96!,f=-1.3!) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= -1.08 (180deg=-1.37) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= -1.07 (180deg=-3.2!) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.34! C(o=-8.8!,f=-2.3!) USER MOD Single : A 25 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -3.94! C(o=-3.9!,f=-5.3!) USER MOD Single : A 42 LYS NZ :NH3+ -144:sc= -0.297 (180deg=-1.59!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -1.85 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.015) USER MOD Single : A 71 GLN :FLIP amide:sc= -8.34! C(o=-9.8!,f=-8.3!) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -2.55! (180deg=-3.24!) USER MOD Single : A 80 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.2!) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= -0.0511 (180deg=-0.687) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.022 (180deg=-0.514) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.18! C(o=-6.7!,f=-3.2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 97:sc= 0.234 USER MOD Single : A 102 ASN : amide:sc= 0.675 K(o=0.68,f=-0.56) USER MOD Single : A 103 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.25) USER MOD Single : A 104 LYS NZ :NH3+ -131:sc=-0.00541 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.409 -5.332 14.432 1.00 0.00 N ATOM 2 CA ALA A 1 -3.874 -4.188 13.599 1.00 0.00 C ATOM 3 C ALA A 1 -2.656 -3.446 13.040 1.00 0.00 C ATOM 4 O ALA A 1 -2.040 -2.645 13.713 1.00 0.00 O ATOM 5 CB ALA A 1 -4.712 -3.236 14.460 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.160 -5.605 15.097 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.181 -6.139 13.817 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.561 -5.052 14.964 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.485 -4.556 12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.052 -2.399 13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.575 -3.770 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.105 -2.862 15.284 1.00 0.00 H new ATOM 13 N ASP A 2 -2.301 -3.717 11.810 1.00 0.00 N ATOM 14 CA ASP A 2 -1.119 -3.040 11.201 1.00 0.00 C ATOM 15 C ASP A 2 0.111 -3.266 12.091 1.00 0.00 C ATOM 16 O ASP A 2 0.304 -2.590 13.083 1.00 0.00 O ATOM 17 CB ASP A 2 -1.396 -1.538 11.067 1.00 0.00 C ATOM 18 CG ASP A 2 -2.783 -1.325 10.457 1.00 0.00 C ATOM 19 OD1 ASP A 2 -2.879 -1.325 9.241 1.00 0.00 O ATOM 20 OD2 ASP A 2 -3.727 -1.167 11.215 1.00 0.00 O ATOM 0 H ASP A 2 -2.781 -4.380 11.201 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.931 -3.456 10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.340 -1.059 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.636 -1.072 10.440 1.00 0.00 H new ATOM 25 N LEU A 3 0.942 -4.219 11.743 1.00 0.00 N ATOM 26 CA LEU A 3 2.162 -4.506 12.561 1.00 0.00 C ATOM 27 C LEU A 3 3.273 -5.036 11.644 1.00 0.00 C ATOM 28 O LEU A 3 4.185 -4.321 11.282 1.00 0.00 O ATOM 29 CB LEU A 3 1.836 -5.567 13.637 1.00 0.00 C ATOM 30 CG LEU A 3 0.778 -6.583 13.109 1.00 0.00 C ATOM 31 CD1 LEU A 3 1.154 -8.011 13.539 1.00 0.00 C ATOM 32 CD2 LEU A 3 -0.613 -6.233 13.669 1.00 0.00 C ATOM 0 H LEU A 3 0.826 -4.814 10.922 1.00 0.00 H new ATOM 0 HA LEU A 3 2.492 -3.589 13.050 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.746 -6.096 13.920 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.460 -5.077 14.535 1.00 0.00 H new ATOM 0 HG LEU A 3 0.756 -6.528 12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.408 -8.712 13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.131 -8.269 13.131 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.190 -8.066 14.627 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.346 -6.948 13.295 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.588 -6.275 14.758 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.891 -5.228 13.351 1.00 0.00 H new ATOM 44 N GLU A 4 3.198 -6.289 11.281 1.00 0.00 N ATOM 45 CA GLU A 4 4.235 -6.901 10.395 1.00 0.00 C ATOM 46 C GLU A 4 5.641 -6.464 10.852 1.00 0.00 C ATOM 47 O GLU A 4 5.865 -6.229 12.022 1.00 0.00 O ATOM 48 CB GLU A 4 3.959 -6.507 8.927 1.00 0.00 C ATOM 49 CG GLU A 4 4.188 -5.002 8.690 1.00 0.00 C ATOM 50 CD GLU A 4 4.296 -4.731 7.188 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.217 -5.680 6.425 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.460 -3.578 6.826 1.00 0.00 O ATOM 0 H GLU A 4 2.452 -6.924 11.564 1.00 0.00 H new ATOM 0 HA GLU A 4 4.189 -7.988 10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.608 -7.083 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.932 -6.764 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.366 -4.427 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.098 -4.678 9.195 1.00 0.00 H new ATOM 59 N ASP A 5 6.587 -6.363 9.949 1.00 0.00 N ATOM 60 CA ASP A 5 7.970 -5.949 10.333 1.00 0.00 C ATOM 61 C ASP A 5 8.461 -6.794 11.514 1.00 0.00 C ATOM 62 O ASP A 5 9.505 -6.538 12.079 1.00 0.00 O ATOM 63 CB ASP A 5 7.977 -4.451 10.693 1.00 0.00 C ATOM 64 CG ASP A 5 7.521 -4.234 12.144 1.00 0.00 C ATOM 65 OD1 ASP A 5 8.231 -4.663 13.038 1.00 0.00 O ATOM 66 OD2 ASP A 5 6.471 -3.644 12.330 1.00 0.00 O ATOM 0 H ASP A 5 6.457 -6.552 8.955 1.00 0.00 H new ATOM 0 HA ASP A 5 8.646 -6.111 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.980 -4.045 10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.319 -3.907 10.015 1.00 0.00 H new ATOM 71 N ASN A 6 7.711 -7.795 11.893 1.00 0.00 N ATOM 72 CA ASN A 6 8.117 -8.660 13.036 1.00 0.00 C ATOM 73 C ASN A 6 8.745 -9.954 12.509 1.00 0.00 C ATOM 74 O ASN A 6 8.087 -10.768 11.891 1.00 0.00 O ATOM 75 CB ASN A 6 6.872 -8.969 13.867 1.00 0.00 C ATOM 76 CG ASN A 6 6.443 -7.697 14.603 1.00 0.00 C ATOM 77 OD1 ASN A 6 7.224 -7.100 15.315 1.00 0.00 O ATOM 78 ND2 ASN A 6 5.230 -7.248 14.443 1.00 0.00 N ATOM 0 H ASN A 6 6.827 -8.051 11.454 1.00 0.00 H new ATOM 0 HA ASN A 6 8.856 -8.151 13.655 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.067 -9.323 13.223 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.083 -9.765 14.581 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.936 -6.394 14.916 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.575 -7.751 13.844 1.00 0.00 H new ATOM 85 N ASP A 7 10.019 -10.149 12.750 1.00 0.00 N ATOM 86 CA ASP A 7 10.703 -11.387 12.265 1.00 0.00 C ATOM 87 C ASP A 7 11.712 -11.854 13.315 1.00 0.00 C ATOM 88 O ASP A 7 12.874 -11.502 13.282 1.00 0.00 O ATOM 89 CB ASP A 7 11.428 -11.084 10.949 1.00 0.00 C ATOM 90 CG ASP A 7 12.063 -9.694 11.026 1.00 0.00 C ATOM 91 OD1 ASP A 7 12.793 -9.448 11.972 1.00 0.00 O ATOM 92 OD2 ASP A 7 11.804 -8.897 10.139 1.00 0.00 O ATOM 0 H ASP A 7 10.616 -9.501 13.264 1.00 0.00 H new ATOM 0 HA ASP A 7 9.966 -12.173 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.195 -11.836 10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.727 -11.130 10.116 1.00 0.00 H new ATOM 97 N GLU A 8 11.271 -12.653 14.244 1.00 0.00 N ATOM 98 CA GLU A 8 12.187 -13.158 15.298 1.00 0.00 C ATOM 99 C GLU A 8 12.906 -11.989 15.968 1.00 0.00 C ATOM 100 O GLU A 8 14.018 -12.122 16.440 1.00 0.00 O ATOM 101 CB GLU A 8 13.214 -14.095 14.671 1.00 0.00 C ATOM 102 CG GLU A 8 12.491 -15.180 13.872 1.00 0.00 C ATOM 103 CD GLU A 8 13.495 -16.233 13.406 1.00 0.00 C ATOM 104 OE1 GLU A 8 14.638 -15.874 13.177 1.00 0.00 O ATOM 105 OE2 GLU A 8 13.103 -17.382 13.281 1.00 0.00 O ATOM 0 H GLU A 8 10.307 -12.980 14.318 1.00 0.00 H new ATOM 0 HA GLU A 8 11.608 -13.697 16.047 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.884 -13.534 14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.830 -14.549 15.447 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.721 -15.645 14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.988 -14.738 13.012 1.00 0.00 H new ATOM 112 N THR A 9 12.278 -10.845 16.029 1.00 0.00 N ATOM 113 CA THR A 9 12.911 -9.674 16.684 1.00 0.00 C ATOM 114 C THR A 9 12.457 -9.654 18.137 1.00 0.00 C ATOM 115 O THR A 9 12.778 -8.768 18.901 1.00 0.00 O ATOM 116 CB THR A 9 12.463 -8.393 15.968 1.00 0.00 C ATOM 117 OG1 THR A 9 13.090 -8.322 14.695 1.00 0.00 O ATOM 118 CG2 THR A 9 12.846 -7.157 16.790 1.00 0.00 C ATOM 0 H THR A 9 11.347 -10.675 15.649 1.00 0.00 H new ATOM 0 HA THR A 9 13.998 -9.737 16.635 1.00 0.00 H new ATOM 0 HB THR A 9 11.380 -8.417 15.850 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.625 -8.914 14.068 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.521 -6.257 16.267 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.362 -7.205 17.766 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.928 -7.129 16.922 1.00 0.00 H new ATOM 126 N GLY A 10 11.715 -10.655 18.513 1.00 0.00 N ATOM 127 CA GLY A 10 11.214 -10.761 19.915 1.00 0.00 C ATOM 128 C GLY A 10 11.098 -12.240 20.282 1.00 0.00 C ATOM 129 O GLY A 10 11.448 -12.656 21.368 1.00 0.00 O ATOM 0 H GLY A 10 11.428 -11.418 17.900 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.895 -10.254 20.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.245 -10.271 20.008 1.00 0.00 H new ATOM 133 N ASN A 11 10.612 -13.031 19.368 1.00 0.00 N ATOM 134 CA ASN A 11 10.468 -14.489 19.621 1.00 0.00 C ATOM 135 C ASN A 11 9.850 -14.734 21.002 1.00 0.00 C ATOM 136 O ASN A 11 10.004 -15.790 21.583 1.00 0.00 O ATOM 137 CB ASN A 11 11.838 -15.165 19.511 1.00 0.00 C ATOM 138 CG ASN A 11 12.684 -14.877 20.755 1.00 0.00 C ATOM 139 OD1 ASN A 11 13.477 -13.956 20.764 1.00 0.00 O ATOM 140 ND2 ASN A 11 12.546 -15.631 21.811 1.00 0.00 N ATOM 0 H ASN A 11 10.305 -12.724 18.445 1.00 0.00 H new ATOM 0 HA ASN A 11 9.801 -14.919 18.874 1.00 0.00 H new ATOM 0 HB2 ASN A 11 11.710 -16.241 19.393 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.356 -14.806 18.622 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.104 -15.448 22.645 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.880 -16.404 21.802 1.00 0.00 H new ATOM 147 N ASP A 12 9.122 -13.778 21.518 1.00 0.00 N ATOM 148 CA ASP A 12 8.462 -13.969 22.842 1.00 0.00 C ATOM 149 C ASP A 12 7.033 -14.442 22.575 1.00 0.00 C ATOM 150 O ASP A 12 6.350 -14.942 23.447 1.00 0.00 O ATOM 151 CB ASP A 12 8.439 -12.646 23.617 1.00 0.00 C ATOM 152 CG ASP A 12 7.954 -12.898 25.046 1.00 0.00 C ATOM 153 OD1 ASP A 12 8.047 -14.030 25.493 1.00 0.00 O ATOM 154 OD2 ASP A 12 7.499 -11.955 25.671 1.00 0.00 O ATOM 0 H ASP A 12 8.956 -12.873 21.078 1.00 0.00 H new ATOM 0 HA ASP A 12 9.006 -14.700 23.440 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.435 -12.204 23.633 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.782 -11.933 23.119 1.00 0.00 H new ATOM 159 N ASN A 13 6.595 -14.296 21.354 1.00 0.00 N ATOM 160 CA ASN A 13 5.226 -14.744 20.975 1.00 0.00 C ATOM 161 C ASN A 13 5.160 -14.912 19.453 1.00 0.00 C ATOM 162 O ASN A 13 4.096 -14.929 18.866 1.00 0.00 O ATOM 163 CB ASN A 13 4.195 -13.706 21.422 1.00 0.00 C ATOM 164 CG ASN A 13 2.796 -14.191 21.032 1.00 0.00 C ATOM 165 OD1 ASN A 13 2.452 -15.331 21.268 1.00 0.00 O ATOM 166 ND2 ASN A 13 1.977 -13.372 20.431 1.00 0.00 N ATOM 0 H ASN A 13 7.135 -13.880 20.595 1.00 0.00 H new ATOM 0 HA ASN A 13 5.005 -15.694 21.462 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.254 -13.557 22.500 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.403 -12.743 20.955 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.047 -13.689 20.159 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.267 -12.414 20.233 1.00 0.00 H new ATOM 173 N GLY A 14 6.292 -15.022 18.810 1.00 0.00 N ATOM 174 CA GLY A 14 6.313 -15.173 17.326 1.00 0.00 C ATOM 175 C GLY A 14 6.012 -13.820 16.692 1.00 0.00 C ATOM 176 O GLY A 14 6.606 -13.438 15.703 1.00 0.00 O ATOM 0 H GLY A 14 7.211 -15.014 19.253 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.287 -15.536 16.997 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.575 -15.910 17.011 1.00 0.00 H new ATOM 180 N LYS A 15 5.105 -13.091 17.281 1.00 0.00 N ATOM 181 CA LYS A 15 4.743 -11.738 16.760 1.00 0.00 C ATOM 182 C LYS A 15 4.706 -11.739 15.227 1.00 0.00 C ATOM 183 O LYS A 15 4.891 -10.722 14.595 1.00 0.00 O ATOM 184 CB LYS A 15 5.775 -10.723 17.267 1.00 0.00 C ATOM 185 CG LYS A 15 5.611 -10.524 18.799 1.00 0.00 C ATOM 186 CD LYS A 15 6.979 -10.504 19.496 1.00 0.00 C ATOM 187 CE LYS A 15 6.811 -10.024 20.941 1.00 0.00 C ATOM 188 NZ LYS A 15 5.797 -10.871 21.635 1.00 0.00 N ATOM 0 H LYS A 15 4.591 -13.378 18.114 1.00 0.00 H new ATOM 0 HA LYS A 15 3.750 -11.466 17.117 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.783 -11.073 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.646 -9.771 16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.085 -9.590 18.995 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.000 -11.327 19.211 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.420 -11.500 19.482 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.662 -9.845 18.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.765 -10.077 21.466 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.498 -8.980 20.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.793 -10.646 22.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.855 -10.683 21.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.035 -11.875 21.503 1.00 0.00 H new ATOM 202 N GLY A 16 4.465 -12.875 14.628 1.00 0.00 N ATOM 203 CA GLY A 16 4.414 -12.943 13.134 1.00 0.00 C ATOM 204 C GLY A 16 2.975 -12.697 12.667 1.00 0.00 C ATOM 205 O GLY A 16 2.607 -11.593 12.321 1.00 0.00 O ATOM 0 H GLY A 16 4.301 -13.760 15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.082 -12.198 12.701 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.759 -13.918 12.790 1.00 0.00 H new ATOM 209 N GLY A 17 2.159 -13.716 12.674 1.00 0.00 N ATOM 210 CA GLY A 17 0.736 -13.546 12.247 1.00 0.00 C ATOM 211 C GLY A 17 0.662 -13.208 10.752 1.00 0.00 C ATOM 212 O GLY A 17 -0.402 -13.196 10.161 1.00 0.00 O ATOM 0 H GLY A 17 2.415 -14.662 12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.178 -14.461 12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.267 -12.753 12.829 1.00 0.00 H new ATOM 216 N GLU A 18 1.778 -12.938 10.132 1.00 0.00 N ATOM 217 CA GLU A 18 1.775 -12.610 8.675 1.00 0.00 C ATOM 218 C GLU A 18 2.046 -13.883 7.870 1.00 0.00 C ATOM 219 O GLU A 18 1.758 -13.956 6.695 1.00 0.00 O ATOM 220 CB GLU A 18 2.875 -11.588 8.390 1.00 0.00 C ATOM 221 CG GLU A 18 2.834 -11.172 6.918 1.00 0.00 C ATOM 222 CD GLU A 18 3.632 -9.879 6.741 1.00 0.00 C ATOM 223 OE1 GLU A 18 4.814 -9.895 7.039 1.00 0.00 O ATOM 224 OE2 GLU A 18 3.047 -8.895 6.323 1.00 0.00 O ATOM 0 H GLU A 18 2.698 -12.930 10.573 1.00 0.00 H new ATOM 0 HA GLU A 18 0.807 -12.198 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.744 -10.713 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.849 -12.014 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.252 -11.961 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.803 -11.024 6.598 1.00 0.00 H new ATOM 231 N LYS A 19 2.599 -14.882 8.505 1.00 0.00 N ATOM 232 CA LYS A 19 2.903 -16.163 7.797 1.00 0.00 C ATOM 233 C LYS A 19 3.731 -15.882 6.536 1.00 0.00 C ATOM 234 O LYS A 19 3.894 -14.756 6.110 1.00 0.00 O ATOM 235 CB LYS A 19 1.571 -16.900 7.454 1.00 0.00 C ATOM 236 CG LYS A 19 1.280 -16.927 5.935 1.00 0.00 C ATOM 237 CD LYS A 19 -0.131 -17.482 5.696 1.00 0.00 C ATOM 238 CE LYS A 19 -0.217 -18.946 6.158 1.00 0.00 C ATOM 239 NZ LYS A 19 -0.569 -18.989 7.607 1.00 0.00 N ATOM 0 H LYS A 19 2.856 -14.867 9.492 1.00 0.00 H new ATOM 0 HA LYS A 19 3.493 -16.811 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.619 -17.922 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.745 -16.409 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.363 -15.923 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.017 -17.545 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.862 -16.880 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.381 -17.413 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.967 -19.479 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.735 -19.449 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.215 -19.413 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.741 -18.023 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.427 -19.561 7.739 1.00 0.00 H new ATOM 253 N ALA A 20 4.230 -16.923 5.936 1.00 0.00 N ATOM 254 CA ALA A 20 5.031 -16.787 4.693 1.00 0.00 C ATOM 255 C ALA A 20 4.807 -18.053 3.870 1.00 0.00 C ATOM 256 O ALA A 20 5.704 -18.850 3.672 1.00 0.00 O ATOM 257 CB ALA A 20 6.515 -16.653 5.043 1.00 0.00 C ATOM 0 H ALA A 20 4.113 -17.882 6.263 1.00 0.00 H new ATOM 0 HA ALA A 20 4.730 -15.901 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.097 -16.554 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.664 -15.770 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.842 -17.539 5.586 1.00 0.00 H new ATOM 263 N ASP A 21 3.605 -18.246 3.397 1.00 0.00 N ATOM 264 CA ASP A 21 3.308 -19.463 2.600 1.00 0.00 C ATOM 265 C ASP A 21 3.877 -19.270 1.206 1.00 0.00 C ATOM 266 O ASP A 21 3.550 -19.980 0.276 1.00 0.00 O ATOM 267 CB ASP A 21 1.791 -19.673 2.525 1.00 0.00 C ATOM 268 CG ASP A 21 1.489 -21.127 2.155 1.00 0.00 C ATOM 269 OD1 ASP A 21 1.812 -22.000 2.943 1.00 0.00 O ATOM 270 OD2 ASP A 21 0.942 -21.343 1.085 1.00 0.00 O ATOM 0 H ASP A 21 2.818 -17.611 3.530 1.00 0.00 H new ATOM 0 HA ASP A 21 3.757 -20.340 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.333 -19.429 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.357 -19.001 1.784 1.00 0.00 H new ATOM 275 N ASN A 22 4.715 -18.291 1.058 1.00 0.00 N ATOM 276 CA ASN A 22 5.302 -18.017 -0.275 1.00 0.00 C ATOM 277 C ASN A 22 4.146 -17.714 -1.240 1.00 0.00 C ATOM 278 O ASN A 22 3.444 -18.607 -1.663 1.00 0.00 O ATOM 279 CB ASN A 22 6.110 -19.254 -0.756 1.00 0.00 C ATOM 280 CG ASN A 22 7.609 -18.932 -0.838 1.00 0.00 C ATOM 281 OD1 ASN A 22 8.073 -18.279 -1.866 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.363 -19.278 0.051 1.00 0.00 N flip ATOM 0 H ASN A 22 5.020 -17.667 1.805 1.00 0.00 H new ATOM 0 HA ASN A 22 5.984 -17.167 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.950 -20.087 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.748 -19.572 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.001 -19.789 0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.357 -19.057 -0.009 1.00 0.00 H new ATOM 289 N ALA A 23 3.955 -16.452 -1.554 1.00 0.00 N ATOM 290 CA ALA A 23 2.856 -16.000 -2.480 1.00 0.00 C ATOM 291 C ALA A 23 1.649 -15.528 -1.666 1.00 0.00 C ATOM 292 O ALA A 23 0.991 -14.571 -2.026 1.00 0.00 O ATOM 293 CB ALA A 23 2.425 -17.112 -3.452 1.00 0.00 C ATOM 0 H ALA A 23 4.533 -15.691 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 23 3.248 -15.175 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.631 -16.741 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.278 -17.415 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.061 -17.969 -2.886 1.00 0.00 H new ATOM 299 N ALA A 24 1.354 -16.163 -0.565 1.00 0.00 N ATOM 300 CA ALA A 24 0.198 -15.700 0.252 1.00 0.00 C ATOM 301 C ALA A 24 0.548 -14.336 0.843 1.00 0.00 C ATOM 302 O ALA A 24 -0.107 -13.347 0.589 1.00 0.00 O ATOM 303 CB ALA A 24 -0.072 -16.689 1.385 1.00 0.00 C ATOM 0 H ALA A 24 1.856 -16.972 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.693 -15.630 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.919 -16.342 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.300 -17.669 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.810 -16.762 2.022 1.00 0.00 H new ATOM 309 N GLN A 25 1.587 -14.279 1.628 1.00 0.00 N ATOM 310 CA GLN A 25 1.995 -12.984 2.228 1.00 0.00 C ATOM 311 C GLN A 25 2.307 -11.974 1.118 1.00 0.00 C ATOM 312 O GLN A 25 2.270 -10.778 1.322 1.00 0.00 O ATOM 313 CB GLN A 25 3.244 -13.204 3.104 1.00 0.00 C ATOM 314 CG GLN A 25 4.477 -13.507 2.233 1.00 0.00 C ATOM 315 CD GLN A 25 5.698 -13.709 3.135 1.00 0.00 C ATOM 316 OE1 GLN A 25 5.583 -13.690 4.344 1.00 0.00 O ATOM 317 NE2 GLN A 25 6.875 -13.893 2.595 1.00 0.00 N ATOM 0 H GLN A 25 2.171 -15.077 1.879 1.00 0.00 H new ATOM 0 HA GLN A 25 1.184 -12.593 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.430 -12.317 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.069 -14.029 3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.302 -14.400 1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.656 -12.687 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.973 -13.909 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.694 -14.020 3.189 1.00 0.00 H new ATOM 326 N VAL A 26 2.655 -12.450 -0.049 1.00 0.00 N ATOM 327 CA VAL A 26 3.015 -11.516 -1.156 1.00 0.00 C ATOM 328 C VAL A 26 1.791 -10.751 -1.669 1.00 0.00 C ATOM 329 O VAL A 26 1.786 -9.542 -1.687 1.00 0.00 O ATOM 330 CB VAL A 26 3.617 -12.294 -2.327 1.00 0.00 C ATOM 331 CG1 VAL A 26 4.194 -11.308 -3.345 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.732 -13.215 -1.828 1.00 0.00 C ATOM 0 H VAL A 26 2.705 -13.442 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 26 3.738 -10.806 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 26 2.838 -12.897 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.624 -11.859 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.401 -10.656 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.969 -10.706 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.154 -13.764 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.513 -12.618 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.325 -13.919 -1.102 1.00 0.00 H new ATOM 342 N LYS A 27 0.774 -11.434 -2.122 1.00 0.00 N ATOM 343 CA LYS A 27 -0.407 -10.710 -2.681 1.00 0.00 C ATOM 344 C LYS A 27 -1.043 -9.806 -1.622 1.00 0.00 C ATOM 345 O LYS A 27 -1.364 -8.665 -1.885 1.00 0.00 O ATOM 346 CB LYS A 27 -1.439 -11.725 -3.181 1.00 0.00 C ATOM 347 CG LYS A 27 -2.102 -12.426 -1.994 1.00 0.00 C ATOM 348 CD LYS A 27 -2.855 -13.668 -2.485 1.00 0.00 C ATOM 349 CE LYS A 27 -3.613 -14.339 -1.318 1.00 0.00 C ATOM 350 NZ LYS A 27 -4.951 -14.787 -1.798 1.00 0.00 N ATOM 0 H LYS A 27 0.708 -12.452 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.072 -10.086 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.194 -11.221 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.956 -12.460 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.348 -12.712 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.791 -11.745 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.558 -13.388 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.153 -14.376 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.045 -15.189 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.726 -13.638 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.466 -15.240 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.490 -13.966 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.831 -15.469 -2.574 1.00 0.00 H new ATOM 364 N ASP A 28 -1.231 -10.297 -0.434 1.00 0.00 N ATOM 365 CA ASP A 28 -1.848 -9.450 0.618 1.00 0.00 C ATOM 366 C ASP A 28 -1.003 -8.187 0.816 1.00 0.00 C ATOM 367 O ASP A 28 -1.511 -7.126 1.116 1.00 0.00 O ATOM 368 CB ASP A 28 -1.909 -10.240 1.928 1.00 0.00 C ATOM 369 CG ASP A 28 -2.725 -9.460 2.957 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.565 -8.253 3.020 1.00 0.00 O ATOM 371 OD2 ASP A 28 -3.495 -10.084 3.669 1.00 0.00 O ATOM 0 H ASP A 28 -0.986 -11.244 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.856 -9.165 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.361 -11.217 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.902 -10.417 2.305 1.00 0.00 H new ATOM 376 N ALA A 29 0.286 -8.298 0.643 1.00 0.00 N ATOM 377 CA ALA A 29 1.177 -7.119 0.811 1.00 0.00 C ATOM 378 C ALA A 29 0.868 -6.092 -0.267 1.00 0.00 C ATOM 379 O ALA A 29 0.745 -4.916 0.001 1.00 0.00 O ATOM 380 CB ALA A 29 2.635 -7.571 0.720 1.00 0.00 C ATOM 0 H ALA A 29 0.762 -9.164 0.390 1.00 0.00 H new ATOM 0 HA ALA A 29 1.010 -6.662 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.291 -6.709 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.840 -8.298 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.814 -8.028 -0.253 1.00 0.00 H new ATOM 386 N LEU A 30 0.729 -6.515 -1.484 1.00 0.00 N ATOM 387 CA LEU A 30 0.410 -5.539 -2.544 1.00 0.00 C ATOM 388 C LEU A 30 -0.927 -4.888 -2.193 1.00 0.00 C ATOM 389 O LEU A 30 -1.069 -3.681 -2.203 1.00 0.00 O ATOM 390 CB LEU A 30 0.329 -6.240 -3.900 1.00 0.00 C ATOM 391 CG LEU A 30 1.514 -7.197 -4.064 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.359 -7.983 -5.363 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.823 -6.405 -4.108 1.00 0.00 C ATOM 0 H LEU A 30 0.822 -7.485 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 30 1.189 -4.780 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.608 -6.791 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.333 -5.502 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 30 1.536 -7.884 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.202 -8.664 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.432 -8.556 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.332 -7.292 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.661 -7.093 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.802 -5.713 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.940 -5.844 -3.181 1.00 0.00 H new ATOM 405 N THR A 31 -1.903 -5.689 -1.862 1.00 0.00 N ATOM 406 CA THR A 31 -3.233 -5.139 -1.485 1.00 0.00 C ATOM 407 C THR A 31 -3.090 -4.303 -0.198 1.00 0.00 C ATOM 408 O THR A 31 -3.842 -3.387 0.046 1.00 0.00 O ATOM 409 CB THR A 31 -4.219 -6.307 -1.272 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.734 -7.447 -1.966 1.00 0.00 O ATOM 411 CG2 THR A 31 -5.614 -5.951 -1.807 1.00 0.00 C ATOM 0 H THR A 31 -1.834 -6.706 -1.837 1.00 0.00 H new ATOM 0 HA THR A 31 -3.616 -4.496 -2.277 1.00 0.00 H new ATOM 0 HB THR A 31 -4.298 -6.510 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.352 -8.196 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.291 -6.790 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.992 -5.074 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.551 -5.736 -2.874 1.00 0.00 H new ATOM 419 N LYS A 32 -2.124 -4.601 0.629 1.00 0.00 N ATOM 420 CA LYS A 32 -1.959 -3.792 1.867 1.00 0.00 C ATOM 421 C LYS A 32 -1.692 -2.357 1.434 1.00 0.00 C ATOM 422 O LYS A 32 -2.354 -1.433 1.861 1.00 0.00 O ATOM 423 CB LYS A 32 -0.771 -4.319 2.695 1.00 0.00 C ATOM 424 CG LYS A 32 -0.645 -3.540 4.031 1.00 0.00 C ATOM 425 CD LYS A 32 0.395 -2.407 3.903 1.00 0.00 C ATOM 426 CE LYS A 32 0.431 -1.566 5.194 1.00 0.00 C ATOM 427 NZ LYS A 32 1.821 -1.087 5.426 1.00 0.00 N ATOM 0 H LYS A 32 -1.452 -5.358 0.503 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.853 -3.853 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.906 -5.381 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.151 -4.219 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.613 -3.123 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.352 -4.222 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.381 -2.829 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.147 -1.771 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.249 -0.719 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.093 -2.163 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.852 -0.519 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.458 -1.903 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.126 -0.504 4.621 1.00 0.00 H new ATOM 441 N MET A 33 -0.727 -2.168 0.577 1.00 0.00 N ATOM 442 CA MET A 33 -0.420 -0.790 0.102 1.00 0.00 C ATOM 443 C MET A 33 -1.652 -0.226 -0.620 1.00 0.00 C ATOM 444 O MET A 33 -1.899 0.964 -0.609 1.00 0.00 O ATOM 445 CB MET A 33 0.771 -0.827 -0.860 1.00 0.00 C ATOM 446 CG MET A 33 1.946 -1.555 -0.200 1.00 0.00 C ATOM 447 SD MET A 33 3.461 -1.225 -1.133 1.00 0.00 S ATOM 448 CE MET A 33 4.494 -2.502 -0.372 1.00 0.00 C ATOM 0 H MET A 33 -0.140 -2.905 0.186 1.00 0.00 H new ATOM 0 HA MET A 33 -0.168 -0.156 0.952 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.489 -1.333 -1.783 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.065 0.187 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.061 -1.221 0.831 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.752 -2.627 -0.168 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.491 -2.473 -0.811 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.564 -2.322 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.049 -3.482 -0.547 1.00 0.00 H new ATOM 458 N ARG A 34 -2.432 -1.077 -1.243 1.00 0.00 N ATOM 459 CA ARG A 34 -3.654 -0.597 -1.960 1.00 0.00 C ATOM 460 C ARG A 34 -4.587 0.118 -0.981 1.00 0.00 C ATOM 461 O ARG A 34 -4.795 1.313 -1.064 1.00 0.00 O ATOM 462 CB ARG A 34 -4.391 -1.792 -2.575 1.00 0.00 C ATOM 463 CG ARG A 34 -5.585 -1.286 -3.373 1.00 0.00 C ATOM 464 CD ARG A 34 -6.163 -2.422 -4.218 1.00 0.00 C ATOM 465 NE ARG A 34 -7.435 -1.959 -4.846 1.00 0.00 N ATOM 466 CZ ARG A 34 -8.356 -2.819 -5.196 1.00 0.00 C ATOM 467 NH1 ARG A 34 -8.181 -4.096 -4.986 1.00 0.00 N ATOM 468 NH2 ARG A 34 -9.455 -2.407 -5.768 1.00 0.00 N ATOM 0 H ARG A 34 -2.274 -2.084 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.354 0.096 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.719 -2.356 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.724 -2.472 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.348 -0.899 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.280 -0.461 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.450 -2.720 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.347 -3.298 -3.596 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.588 -0.963 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.322 -4.428 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.903 -4.762 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.597 -1.412 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.172 -3.080 -6.040 1.00 0.00 H new ATOM 482 N ALA A 35 -5.158 -0.607 -0.061 1.00 0.00 N ATOM 483 CA ALA A 35 -6.093 0.028 0.915 1.00 0.00 C ATOM 484 C ALA A 35 -5.366 1.109 1.720 1.00 0.00 C ATOM 485 O ALA A 35 -5.968 2.061 2.176 1.00 0.00 O ATOM 486 CB ALA A 35 -6.622 -1.038 1.873 1.00 0.00 C ATOM 0 H ALA A 35 -5.020 -1.610 0.059 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.919 0.484 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.305 -0.578 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.151 -1.805 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.788 -1.492 2.409 1.00 0.00 H new ATOM 492 N ALA A 36 -4.081 0.976 1.904 1.00 0.00 N ATOM 493 CA ALA A 36 -3.334 2.004 2.687 1.00 0.00 C ATOM 494 C ALA A 36 -3.469 3.370 2.012 1.00 0.00 C ATOM 495 O ALA A 36 -3.740 4.366 2.652 1.00 0.00 O ATOM 496 CB ALA A 36 -1.856 1.620 2.761 1.00 0.00 C ATOM 0 H ALA A 36 -3.517 0.204 1.548 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.749 2.055 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.313 2.372 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.756 0.651 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.444 1.563 1.753 1.00 0.00 H new ATOM 502 N ALA A 37 -3.269 3.426 0.724 1.00 0.00 N ATOM 503 CA ALA A 37 -3.373 4.726 0.007 1.00 0.00 C ATOM 504 C ALA A 37 -4.789 5.288 0.158 1.00 0.00 C ATOM 505 O ALA A 37 -4.977 6.471 0.364 1.00 0.00 O ATOM 506 CB ALA A 37 -3.064 4.508 -1.475 1.00 0.00 C ATOM 0 H ALA A 37 -3.037 2.625 0.137 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.661 5.434 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.139 5.457 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.054 4.111 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.778 3.800 -1.895 1.00 0.00 H new ATOM 512 N LEU A 38 -5.787 4.454 0.062 1.00 0.00 N ATOM 513 CA LEU A 38 -7.183 4.952 0.202 1.00 0.00 C ATOM 514 C LEU A 38 -7.401 5.500 1.615 1.00 0.00 C ATOM 515 O LEU A 38 -7.921 6.582 1.799 1.00 0.00 O ATOM 516 CB LEU A 38 -8.168 3.811 -0.048 1.00 0.00 C ATOM 517 CG LEU A 38 -7.754 3.021 -1.289 1.00 0.00 C ATOM 518 CD1 LEU A 38 -8.791 1.928 -1.556 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.672 3.958 -2.499 1.00 0.00 C ATOM 0 H LEU A 38 -5.696 3.452 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.348 5.745 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.199 3.151 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.173 4.211 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.776 2.569 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.502 1.360 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.844 1.259 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.767 2.385 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.376 3.389 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.646 4.415 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.935 4.737 -2.306 1.00 0.00 H new ATOM 531 N ASP A 39 -7.021 4.754 2.614 1.00 0.00 N ATOM 532 CA ASP A 39 -7.225 5.225 4.012 1.00 0.00 C ATOM 533 C ASP A 39 -6.484 6.544 4.241 1.00 0.00 C ATOM 534 O ASP A 39 -7.027 7.484 4.787 1.00 0.00 O ATOM 535 CB ASP A 39 -6.696 4.165 4.982 1.00 0.00 C ATOM 536 CG ASP A 39 -7.311 4.375 6.365 1.00 0.00 C ATOM 537 OD1 ASP A 39 -8.514 4.218 6.485 1.00 0.00 O ATOM 538 OD2 ASP A 39 -6.570 4.695 7.279 1.00 0.00 O ATOM 0 H ASP A 39 -6.578 3.839 2.523 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.289 5.386 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.939 3.168 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.609 4.226 5.044 1.00 0.00 H new ATOM 543 N ALA A 40 -5.249 6.623 3.836 1.00 0.00 N ATOM 544 CA ALA A 40 -4.486 7.882 4.042 1.00 0.00 C ATOM 545 C ALA A 40 -5.087 8.979 3.168 1.00 0.00 C ATOM 546 O ALA A 40 -4.762 10.142 3.296 1.00 0.00 O ATOM 547 CB ALA A 40 -3.024 7.662 3.653 1.00 0.00 C ATOM 0 H ALA A 40 -4.737 5.873 3.373 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.539 8.177 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.464 8.585 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.597 6.873 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.966 7.370 2.604 1.00 0.00 H new ATOM 553 N GLN A 41 -5.956 8.609 2.273 1.00 0.00 N ATOM 554 CA GLN A 41 -6.582 9.603 1.375 1.00 0.00 C ATOM 555 C GLN A 41 -7.574 10.462 2.158 1.00 0.00 C ATOM 556 O GLN A 41 -7.383 10.781 3.315 1.00 0.00 O ATOM 557 CB GLN A 41 -7.313 8.841 0.256 1.00 0.00 C ATOM 558 CG GLN A 41 -7.311 9.657 -1.047 1.00 0.00 C ATOM 559 CD GLN A 41 -8.512 9.252 -1.911 1.00 0.00 C ATOM 560 OE1 GLN A 41 -9.270 10.093 -2.344 1.00 0.00 O ATOM 561 NE2 GLN A 41 -8.723 7.990 -2.168 1.00 0.00 N ATOM 0 H GLN A 41 -6.260 7.646 2.127 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.822 10.259 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.830 7.878 0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.339 8.634 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.356 10.722 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.383 9.486 -1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.085 7.282 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.525 7.712 -2.733 1.00 0.00 H new ATOM 570 N LYS A 42 -8.643 10.819 1.515 1.00 0.00 N ATOM 571 CA LYS A 42 -9.699 11.642 2.169 1.00 0.00 C ATOM 572 C LYS A 42 -10.473 10.762 3.157 1.00 0.00 C ATOM 573 O LYS A 42 -11.678 10.633 3.067 1.00 0.00 O ATOM 574 CB LYS A 42 -10.668 12.187 1.101 1.00 0.00 C ATOM 575 CG LYS A 42 -9.886 12.855 -0.053 1.00 0.00 C ATOM 576 CD LYS A 42 -9.515 14.311 0.311 1.00 0.00 C ATOM 577 CE LYS A 42 -10.599 15.282 -0.181 1.00 0.00 C ATOM 578 NZ LYS A 42 -10.766 15.133 -1.654 1.00 0.00 N ATOM 0 H LYS A 42 -8.837 10.572 0.544 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.239 12.478 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.281 11.375 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.347 12.910 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.981 12.285 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.488 12.844 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.399 14.404 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.556 14.571 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.542 15.078 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.322 16.308 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.966 16.062 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.893 14.746 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.557 14.487 -1.850 1.00 0.00 H new ATOM 592 N ALA A 43 -9.793 10.145 4.093 1.00 0.00 N ATOM 593 CA ALA A 43 -10.506 9.258 5.079 1.00 0.00 C ATOM 594 C ALA A 43 -9.854 9.357 6.464 1.00 0.00 C ATOM 595 O ALA A 43 -10.527 9.446 7.472 1.00 0.00 O ATOM 596 CB ALA A 43 -10.444 7.806 4.594 1.00 0.00 C ATOM 0 H ALA A 43 -8.783 10.213 4.220 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.544 9.583 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.960 7.162 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.925 7.727 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.403 7.494 4.511 1.00 0.00 H new ATOM 602 N THR A 44 -8.550 9.346 6.523 1.00 0.00 N ATOM 603 CA THR A 44 -7.840 9.443 7.826 1.00 0.00 C ATOM 604 C THR A 44 -6.616 10.340 7.609 1.00 0.00 C ATOM 605 O THR A 44 -5.504 9.997 7.954 1.00 0.00 O ATOM 606 CB THR A 44 -7.413 8.036 8.266 1.00 0.00 C ATOM 607 OG1 THR A 44 -8.530 7.166 8.165 1.00 0.00 O ATOM 608 CG2 THR A 44 -6.921 8.056 9.714 1.00 0.00 C ATOM 0 H THR A 44 -7.939 9.273 5.709 1.00 0.00 H new ATOM 0 HA THR A 44 -8.477 9.865 8.603 1.00 0.00 H new ATOM 0 HB THR A 44 -6.603 7.691 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.268 6.263 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.622 7.051 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.067 8.728 9.799 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.723 8.403 10.366 1.00 0.00 H new ATOM 616 N PRO A 45 -6.848 11.503 7.041 1.00 0.00 N ATOM 617 CA PRO A 45 -5.800 12.513 6.766 1.00 0.00 C ATOM 618 C PRO A 45 -4.631 12.457 7.771 1.00 0.00 C ATOM 619 O PRO A 45 -4.688 13.064 8.823 1.00 0.00 O ATOM 620 CB PRO A 45 -6.570 13.829 6.908 1.00 0.00 C ATOM 621 CG PRO A 45 -7.961 13.519 6.425 1.00 0.00 C ATOM 622 CD PRO A 45 -8.163 11.996 6.588 1.00 0.00 C ATOM 0 HA PRO A 45 -5.327 12.366 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.579 14.172 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.113 14.620 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.702 14.071 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.083 13.816 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.944 11.773 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.461 11.531 5.648 1.00 0.00 H new ATOM 630 N PRO A 46 -3.581 11.733 7.453 1.00 0.00 N ATOM 631 CA PRO A 46 -2.397 11.602 8.342 1.00 0.00 C ATOM 632 C PRO A 46 -1.367 12.727 8.129 1.00 0.00 C ATOM 633 O PRO A 46 -1.484 13.796 8.692 1.00 0.00 O ATOM 634 CB PRO A 46 -1.822 10.226 7.961 1.00 0.00 C ATOM 635 CG PRO A 46 -2.274 9.960 6.545 1.00 0.00 C ATOM 636 CD PRO A 46 -3.408 10.952 6.219 1.00 0.00 C ATOM 0 HA PRO A 46 -2.660 11.683 9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.734 10.226 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.184 9.452 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.445 10.086 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.624 8.933 6.442 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.145 11.593 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.326 10.430 5.948 1.00 0.00 H new ATOM 644 N LYS A 47 -0.354 12.491 7.338 1.00 0.00 N ATOM 645 CA LYS A 47 0.679 13.542 7.116 1.00 0.00 C ATOM 646 C LYS A 47 0.059 14.744 6.401 1.00 0.00 C ATOM 647 O LYS A 47 0.716 15.742 6.175 1.00 0.00 O ATOM 648 CB LYS A 47 1.819 12.969 6.272 1.00 0.00 C ATOM 649 CG LYS A 47 1.238 12.138 5.124 1.00 0.00 C ATOM 650 CD LYS A 47 2.340 11.804 4.118 1.00 0.00 C ATOM 651 CE LYS A 47 1.731 11.068 2.925 1.00 0.00 C ATOM 652 NZ LYS A 47 2.801 10.746 1.941 1.00 0.00 N ATOM 0 H LYS A 47 -0.198 11.616 6.837 1.00 0.00 H new ATOM 0 HA LYS A 47 1.070 13.868 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.433 13.777 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.468 12.350 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.798 11.220 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.438 12.691 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.832 12.718 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.103 11.186 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.243 10.153 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.965 11.685 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.387 10.245 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.248 11.626 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.517 10.141 2.392 1.00 0.00 H new ATOM 666 N LEU A 48 -1.198 14.674 6.055 1.00 0.00 N ATOM 667 CA LEU A 48 -1.834 15.837 5.375 1.00 0.00 C ATOM 668 C LEU A 48 -2.152 16.895 6.429 1.00 0.00 C ATOM 669 O LEU A 48 -3.276 17.040 6.868 1.00 0.00 O ATOM 670 CB LEU A 48 -3.125 15.400 4.671 1.00 0.00 C ATOM 671 CG LEU A 48 -2.807 14.425 3.524 1.00 0.00 C ATOM 672 CD1 LEU A 48 -4.121 13.845 2.992 1.00 0.00 C ATOM 673 CD2 LEU A 48 -2.078 15.158 2.385 1.00 0.00 C ATOM 0 H LEU A 48 -1.806 13.870 6.212 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.155 16.243 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.794 14.923 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.647 16.273 4.280 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.164 13.628 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.910 13.152 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.637 13.317 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.753 14.653 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.860 14.455 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.711 15.960 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.146 15.579 2.761 1.00 0.00 H new ATOM 685 N GLU A 49 -1.157 17.636 6.837 1.00 0.00 N ATOM 686 CA GLU A 49 -1.367 18.690 7.867 1.00 0.00 C ATOM 687 C GLU A 49 -0.375 19.831 7.621 1.00 0.00 C ATOM 688 O GLU A 49 0.180 20.398 8.542 1.00 0.00 O ATOM 689 CB GLU A 49 -1.152 18.089 9.257 1.00 0.00 C ATOM 690 CG GLU A 49 0.043 17.136 9.227 1.00 0.00 C ATOM 691 CD GLU A 49 0.351 16.661 10.649 1.00 0.00 C ATOM 692 OE1 GLU A 49 1.114 17.331 11.324 1.00 0.00 O ATOM 693 OE2 GLU A 49 -0.189 15.640 11.040 1.00 0.00 O ATOM 0 H GLU A 49 -0.199 17.554 6.496 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.383 19.079 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.979 18.882 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.047 17.555 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.175 16.282 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.912 17.639 8.803 1.00 0.00 H new ATOM 700 N ASP A 50 -0.156 20.165 6.378 1.00 0.00 N ATOM 701 CA ASP A 50 0.794 21.262 6.044 1.00 0.00 C ATOM 702 C ASP A 50 0.707 21.559 4.544 1.00 0.00 C ATOM 703 O ASP A 50 1.655 22.009 3.933 1.00 0.00 O ATOM 704 CB ASP A 50 2.220 20.839 6.400 1.00 0.00 C ATOM 705 CG ASP A 50 3.151 22.049 6.299 1.00 0.00 C ATOM 706 OD1 ASP A 50 2.912 23.016 7.004 1.00 0.00 O ATOM 707 OD2 ASP A 50 4.087 21.987 5.518 1.00 0.00 O ATOM 0 H ASP A 50 -0.599 19.720 5.574 1.00 0.00 H new ATOM 0 HA ASP A 50 0.535 22.155 6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.248 20.429 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.556 20.051 5.726 1.00 0.00 H new ATOM 712 N LYS A 51 -0.435 21.312 3.952 1.00 0.00 N ATOM 713 CA LYS A 51 -0.627 21.573 2.491 1.00 0.00 C ATOM 714 C LYS A 51 -1.920 22.365 2.293 1.00 0.00 C ATOM 715 O LYS A 51 -1.914 23.430 1.712 1.00 0.00 O ATOM 716 CB LYS A 51 -0.714 20.242 1.732 1.00 0.00 C ATOM 717 CG LYS A 51 0.691 19.651 1.546 1.00 0.00 C ATOM 718 CD LYS A 51 0.580 18.161 1.194 1.00 0.00 C ATOM 719 CE LYS A 51 1.897 17.673 0.588 1.00 0.00 C ATOM 720 NZ LYS A 51 1.836 16.195 0.411 1.00 0.00 N ATOM 0 H LYS A 51 -1.255 20.935 4.427 1.00 0.00 H new ATOM 0 HA LYS A 51 0.218 22.145 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.343 19.541 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.184 20.398 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.219 20.184 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.273 19.777 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.344 17.583 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.236 18.004 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.072 18.159 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.731 17.940 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.729 15.858 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.687 15.741 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.049 15.954 -0.224 1.00 0.00 H new ATOM 734 N SER A 52 -3.034 21.879 2.782 1.00 0.00 N ATOM 735 CA SER A 52 -4.298 22.648 2.609 1.00 0.00 C ATOM 736 C SER A 52 -4.452 22.987 1.121 1.00 0.00 C ATOM 737 O SER A 52 -3.664 22.545 0.309 1.00 0.00 O ATOM 738 CB SER A 52 -4.190 23.924 3.468 1.00 0.00 C ATOM 739 OG SER A 52 -5.417 24.156 4.149 1.00 0.00 O ATOM 0 H SER A 52 -3.120 20.996 3.286 1.00 0.00 H new ATOM 0 HA SER A 52 -5.172 22.079 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.379 23.820 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.948 24.779 2.836 1.00 0.00 H new ATOM 0 HG SER A 52 -5.340 24.967 4.694 1.00 0.00 H new ATOM 745 N PRO A 53 -5.442 23.760 0.766 1.00 0.00 N ATOM 746 CA PRO A 53 -5.679 24.172 -0.654 1.00 0.00 C ATOM 747 C PRO A 53 -4.471 24.936 -1.215 1.00 0.00 C ATOM 748 O PRO A 53 -4.585 26.049 -1.693 1.00 0.00 O ATOM 749 CB PRO A 53 -6.926 25.074 -0.561 1.00 0.00 C ATOM 750 CG PRO A 53 -7.592 24.652 0.705 1.00 0.00 C ATOM 751 CD PRO A 53 -6.462 24.322 1.661 1.00 0.00 C ATOM 0 HA PRO A 53 -5.822 23.327 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.653 26.129 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.582 24.936 -1.421 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.223 25.447 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.235 23.787 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.100 25.208 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.771 23.607 2.423 1.00 0.00 H new ATOM 759 N ASP A 54 -3.312 24.338 -1.146 1.00 0.00 N ATOM 760 CA ASP A 54 -2.073 24.992 -1.650 1.00 0.00 C ATOM 761 C ASP A 54 -1.838 24.533 -3.088 1.00 0.00 C ATOM 762 O ASP A 54 -0.904 24.973 -3.728 1.00 0.00 O ATOM 763 CB ASP A 54 -0.886 24.595 -0.744 1.00 0.00 C ATOM 764 CG ASP A 54 0.445 24.770 -1.489 1.00 0.00 C ATOM 765 OD1 ASP A 54 0.709 25.872 -1.942 1.00 0.00 O ATOM 766 OD2 ASP A 54 1.177 23.799 -1.588 1.00 0.00 O ATOM 0 H ASP A 54 -3.171 23.407 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.171 26.077 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.888 25.209 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.996 23.559 -0.424 1.00 0.00 H new ATOM 771 N SER A 55 -2.714 23.671 -3.576 1.00 0.00 N ATOM 772 CA SER A 55 -2.657 23.126 -4.979 1.00 0.00 C ATOM 773 C SER A 55 -2.194 21.646 -5.017 1.00 0.00 C ATOM 774 O SER A 55 -2.831 20.852 -5.681 1.00 0.00 O ATOM 775 CB SER A 55 -1.809 24.009 -5.906 1.00 0.00 C ATOM 776 OG SER A 55 -2.198 23.782 -7.254 1.00 0.00 O ATOM 0 H SER A 55 -3.498 23.310 -3.032 1.00 0.00 H new ATOM 0 HA SER A 55 -3.678 23.148 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.942 25.060 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.751 23.781 -5.777 1.00 0.00 H new ATOM 0 HG SER A 55 -1.660 24.345 -7.849 1.00 0.00 H new ATOM 782 N PRO A 56 -1.141 21.224 -4.330 1.00 0.00 N ATOM 783 CA PRO A 56 -0.734 19.786 -4.369 1.00 0.00 C ATOM 784 C PRO A 56 -1.794 18.876 -3.721 1.00 0.00 C ATOM 785 O PRO A 56 -1.702 17.667 -3.769 1.00 0.00 O ATOM 786 CB PRO A 56 0.590 19.723 -3.583 1.00 0.00 C ATOM 787 CG PRO A 56 1.032 21.143 -3.437 1.00 0.00 C ATOM 788 CD PRO A 56 -0.231 22.002 -3.477 1.00 0.00 C ATOM 0 HA PRO A 56 -0.625 19.432 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.447 19.254 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.335 19.132 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.568 21.287 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.714 21.421 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.646 22.155 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.033 22.989 -3.895 1.00 0.00 H new ATOM 796 N GLU A 57 -2.792 19.459 -3.109 1.00 0.00 N ATOM 797 CA GLU A 57 -3.854 18.635 -2.451 1.00 0.00 C ATOM 798 C GLU A 57 -4.686 17.961 -3.544 1.00 0.00 C ATOM 799 O GLU A 57 -5.898 18.025 -3.570 1.00 0.00 O ATOM 800 CB GLU A 57 -4.737 19.534 -1.561 1.00 0.00 C ATOM 801 CG GLU A 57 -5.732 18.677 -0.766 1.00 0.00 C ATOM 802 CD GLU A 57 -6.276 19.482 0.420 1.00 0.00 C ATOM 803 OE1 GLU A 57 -5.973 20.662 0.500 1.00 0.00 O ATOM 804 OE2 GLU A 57 -6.987 18.906 1.227 1.00 0.00 O ATOM 0 H GLU A 57 -2.919 20.468 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.406 17.871 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.112 20.108 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.276 20.252 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.552 18.363 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.242 17.771 -0.409 1.00 0.00 H new ATOM 811 N MET A 58 -4.015 17.321 -4.456 1.00 0.00 N ATOM 812 CA MET A 58 -4.702 16.628 -5.579 1.00 0.00 C ATOM 813 C MET A 58 -3.618 16.008 -6.469 1.00 0.00 C ATOM 814 O MET A 58 -3.703 14.872 -6.885 1.00 0.00 O ATOM 815 CB MET A 58 -5.536 17.660 -6.377 1.00 0.00 C ATOM 816 CG MET A 58 -7.035 17.333 -6.286 1.00 0.00 C ATOM 817 SD MET A 58 -7.990 18.660 -7.070 1.00 0.00 S ATOM 818 CE MET A 58 -8.544 19.486 -5.558 1.00 0.00 C ATOM 0 H MET A 58 -2.998 17.247 -4.471 1.00 0.00 H new ATOM 0 HA MET A 58 -5.374 15.851 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.353 18.662 -5.988 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.221 17.661 -7.421 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.241 16.382 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 58 -7.332 17.224 -5.243 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.159 20.347 -5.818 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.130 18.790 -4.957 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.677 19.818 -4.987 1.00 0.00 H new ATOM 828 N LYS A 59 -2.599 16.766 -6.764 1.00 0.00 N ATOM 829 CA LYS A 59 -1.512 16.255 -7.629 1.00 0.00 C ATOM 830 C LYS A 59 -0.791 15.094 -6.931 1.00 0.00 C ATOM 831 O LYS A 59 -0.775 13.990 -7.434 1.00 0.00 O ATOM 832 CB LYS A 59 -0.500 17.379 -7.973 1.00 0.00 C ATOM 833 CG LYS A 59 -1.157 18.787 -8.028 1.00 0.00 C ATOM 834 CD LYS A 59 -1.719 19.069 -9.431 1.00 0.00 C ATOM 835 CE LYS A 59 -2.897 18.133 -9.756 1.00 0.00 C ATOM 836 NZ LYS A 59 -3.972 18.909 -10.432 1.00 0.00 N ATOM 0 H LYS A 59 -2.476 17.725 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.954 15.898 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.297 17.384 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.036 17.162 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.957 18.850 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.422 19.548 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.048 20.106 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.932 18.939 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.562 17.318 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.280 17.681 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.769 18.278 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.297 19.671 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.602 19.320 -11.313 1.00 0.00 H new ATOM 850 N ASP A 60 -0.191 15.308 -5.787 1.00 0.00 N ATOM 851 CA ASP A 60 0.500 14.154 -5.133 1.00 0.00 C ATOM 852 C ASP A 60 -0.531 13.093 -4.789 1.00 0.00 C ATOM 853 O ASP A 60 -0.223 11.929 -4.714 1.00 0.00 O ATOM 854 CB ASP A 60 1.224 14.561 -3.847 1.00 0.00 C ATOM 855 CG ASP A 60 2.045 13.374 -3.341 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.159 12.403 -4.072 1.00 0.00 O ATOM 857 OD2 ASP A 60 2.544 13.453 -2.230 1.00 0.00 O ATOM 0 H ASP A 60 -0.148 16.198 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 60 1.244 13.776 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.874 15.415 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.503 14.870 -3.090 1.00 0.00 H new ATOM 862 N PHE A 61 -1.760 13.474 -4.591 1.00 0.00 N ATOM 863 CA PHE A 61 -2.786 12.459 -4.272 1.00 0.00 C ATOM 864 C PHE A 61 -3.059 11.686 -5.554 1.00 0.00 C ATOM 865 O PHE A 61 -2.935 10.479 -5.599 1.00 0.00 O ATOM 866 CB PHE A 61 -4.053 13.153 -3.732 1.00 0.00 C ATOM 867 CG PHE A 61 -5.299 12.311 -3.958 1.00 0.00 C ATOM 868 CD1 PHE A 61 -5.236 10.915 -3.880 1.00 0.00 C ATOM 869 CD2 PHE A 61 -6.522 12.937 -4.241 1.00 0.00 C ATOM 870 CE1 PHE A 61 -6.388 10.145 -4.093 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.674 12.167 -4.452 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.607 10.771 -4.378 1.00 0.00 C ATOM 0 H PHE A 61 -2.092 14.437 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.450 11.771 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.934 13.348 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.174 14.120 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.298 10.430 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.576 14.014 -4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.335 9.068 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.614 12.651 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.495 10.178 -4.541 1.00 0.00 H new ATOM 882 N ARG A 62 -3.415 12.377 -6.603 1.00 0.00 N ATOM 883 CA ARG A 62 -3.686 11.677 -7.881 1.00 0.00 C ATOM 884 C ARG A 62 -2.427 10.942 -8.344 1.00 0.00 C ATOM 885 O ARG A 62 -2.438 9.746 -8.554 1.00 0.00 O ATOM 886 CB ARG A 62 -4.118 12.683 -8.961 1.00 0.00 C ATOM 887 CG ARG A 62 -5.507 13.299 -8.615 1.00 0.00 C ATOM 888 CD ARG A 62 -6.494 13.116 -9.780 1.00 0.00 C ATOM 889 NE ARG A 62 -7.628 14.066 -9.617 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.744 13.867 -10.262 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.860 12.846 -11.068 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.744 14.690 -10.101 1.00 0.00 N ATOM 0 H ARG A 62 -3.528 13.390 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.491 10.960 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.374 13.475 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.166 12.186 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.906 12.826 -7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.394 14.360 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.990 13.293 -10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.863 12.091 -9.801 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.532 14.873 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.078 12.204 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.733 12.691 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.652 15.487 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.617 14.536 -10.605 1.00 0.00 H new ATOM 906 N HIS A 63 -1.347 11.649 -8.517 1.00 0.00 N ATOM 907 CA HIS A 63 -0.097 10.988 -8.980 1.00 0.00 C ATOM 908 C HIS A 63 0.415 10.011 -7.912 1.00 0.00 C ATOM 909 O HIS A 63 1.179 9.116 -8.201 1.00 0.00 O ATOM 910 CB HIS A 63 0.964 12.067 -9.256 1.00 0.00 C ATOM 911 CG HIS A 63 1.988 11.559 -10.244 1.00 0.00 C ATOM 912 ND1 HIS A 63 3.347 11.799 -10.090 1.00 0.00 N ATOM 913 CD2 HIS A 63 1.871 10.832 -11.407 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.983 11.229 -11.131 1.00 0.00 C ATOM 915 NE2 HIS A 63 3.130 10.627 -11.962 1.00 0.00 N ATOM 0 H HIS A 63 -1.276 12.654 -8.358 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.299 10.426 -9.892 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.486 12.965 -9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.456 12.349 -8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.942 10.475 -11.826 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.053 11.256 -11.276 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.353 10.124 -12.821 1.00 0.00 H new ATOM 923 N GLY A 64 0.016 10.182 -6.679 1.00 0.00 N ATOM 924 CA GLY A 64 0.513 9.270 -5.599 1.00 0.00 C ATOM 925 C GLY A 64 -0.276 7.953 -5.573 1.00 0.00 C ATOM 926 O GLY A 64 0.296 6.883 -5.647 1.00 0.00 O ATOM 0 H GLY A 64 -0.629 10.909 -6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.571 9.059 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.427 9.767 -4.633 1.00 0.00 H new ATOM 930 N PHE A 65 -1.577 8.006 -5.437 1.00 0.00 N ATOM 931 CA PHE A 65 -2.364 6.736 -5.372 1.00 0.00 C ATOM 932 C PHE A 65 -2.265 5.976 -6.704 1.00 0.00 C ATOM 933 O PHE A 65 -2.364 4.770 -6.731 1.00 0.00 O ATOM 934 CB PHE A 65 -3.842 7.035 -4.999 1.00 0.00 C ATOM 935 CG PHE A 65 -4.722 7.171 -6.231 1.00 0.00 C ATOM 936 CD1 PHE A 65 -5.122 6.029 -6.931 1.00 0.00 C ATOM 937 CD2 PHE A 65 -5.139 8.435 -6.663 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.932 6.151 -8.065 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.950 8.557 -7.798 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.346 7.415 -8.500 1.00 0.00 C ATOM 0 H PHE A 65 -2.124 8.864 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.944 6.100 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.225 6.235 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.890 7.954 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.806 5.052 -6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.835 9.318 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.238 5.268 -8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.270 9.533 -8.131 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.970 7.508 -9.376 1.00 0.00 H new ATOM 950 N ASP A 66 -2.066 6.659 -7.800 1.00 0.00 N ATOM 951 CA ASP A 66 -1.959 5.938 -9.103 1.00 0.00 C ATOM 952 C ASP A 66 -0.643 5.168 -9.145 1.00 0.00 C ATOM 953 O ASP A 66 -0.593 4.026 -9.551 1.00 0.00 O ATOM 954 CB ASP A 66 -2.010 6.936 -10.261 1.00 0.00 C ATOM 955 CG ASP A 66 -1.799 6.194 -11.582 1.00 0.00 C ATOM 956 OD1 ASP A 66 -0.768 5.556 -11.727 1.00 0.00 O ATOM 957 OD2 ASP A 66 -2.675 6.273 -12.429 1.00 0.00 O ATOM 0 H ASP A 66 -1.974 7.674 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.794 5.244 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.971 7.451 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.241 7.698 -10.133 1.00 0.00 H new ATOM 962 N ILE A 67 0.421 5.778 -8.723 1.00 0.00 N ATOM 963 CA ILE A 67 1.725 5.070 -8.733 1.00 0.00 C ATOM 964 C ILE A 67 1.600 3.813 -7.871 1.00 0.00 C ATOM 965 O ILE A 67 1.881 2.721 -8.310 1.00 0.00 O ATOM 966 CB ILE A 67 2.794 6.023 -8.195 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.043 7.101 -9.255 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.097 5.267 -7.900 1.00 0.00 C ATOM 969 CD1 ILE A 67 3.859 8.243 -8.647 1.00 0.00 C ATOM 0 H ILE A 67 0.446 6.735 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 67 2.011 4.766 -9.740 1.00 0.00 H new ATOM 0 HB ILE A 67 2.452 6.474 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.575 6.673 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.093 7.480 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.843 5.964 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.908 4.494 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.466 4.806 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.034 9.008 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.310 8.678 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.815 7.858 -8.292 1.00 0.00 H new ATOM 981 N LEU A 68 1.144 3.955 -6.663 1.00 0.00 N ATOM 982 CA LEU A 68 0.965 2.764 -5.780 1.00 0.00 C ATOM 983 C LEU A 68 -0.005 1.785 -6.467 1.00 0.00 C ATOM 984 O LEU A 68 0.305 0.627 -6.664 1.00 0.00 O ATOM 985 CB LEU A 68 0.378 3.218 -4.418 1.00 0.00 C ATOM 986 CG LEU A 68 1.479 3.285 -3.352 1.00 0.00 C ATOM 987 CD1 LEU A 68 2.422 4.447 -3.654 1.00 0.00 C ATOM 988 CD2 LEU A 68 0.836 3.495 -1.984 1.00 0.00 C ATOM 0 H LEU A 68 0.885 4.847 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 68 1.923 2.274 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.091 4.196 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.400 2.524 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 68 2.046 2.354 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.202 4.490 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.878 4.301 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.861 5.381 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.613 3.544 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.271 4.427 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.165 2.664 -1.766 1.00 0.00 H new ATOM 1000 N VAL A 69 -1.176 2.239 -6.825 1.00 0.00 N ATOM 1001 CA VAL A 69 -2.168 1.336 -7.485 1.00 0.00 C ATOM 1002 C VAL A 69 -1.597 0.799 -8.807 1.00 0.00 C ATOM 1003 O VAL A 69 -1.704 -0.372 -9.104 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.467 2.125 -7.738 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -4.345 1.408 -8.779 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -4.243 2.271 -6.419 1.00 0.00 C ATOM 0 H VAL A 69 -1.491 3.200 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.381 0.485 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.208 3.111 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.257 1.982 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.798 1.320 -9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.603 0.413 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.162 2.829 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.488 1.283 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.630 2.805 -5.693 1.00 0.00 H new ATOM 1016 N GLY A 70 -1.009 1.641 -9.605 1.00 0.00 N ATOM 1017 CA GLY A 70 -0.453 1.169 -10.907 1.00 0.00 C ATOM 1018 C GLY A 70 0.617 0.091 -10.680 1.00 0.00 C ATOM 1019 O GLY A 70 0.848 -0.753 -11.524 1.00 0.00 O ATOM 0 H GLY A 70 -0.888 2.636 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.255 0.768 -11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.021 2.009 -11.450 1.00 0.00 H new ATOM 1023 N GLN A 71 1.281 0.117 -9.557 1.00 0.00 N ATOM 1024 CA GLN A 71 2.348 -0.896 -9.292 1.00 0.00 C ATOM 1025 C GLN A 71 1.742 -2.142 -8.665 1.00 0.00 C ATOM 1026 O GLN A 71 2.235 -3.240 -8.828 1.00 0.00 O ATOM 1027 CB GLN A 71 3.379 -0.280 -8.345 1.00 0.00 C ATOM 1028 CG GLN A 71 4.059 0.906 -9.038 1.00 0.00 C ATOM 1029 CD GLN A 71 4.712 1.819 -7.994 1.00 0.00 C ATOM 1030 OE1 GLN A 71 3.967 2.493 -7.155 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 5.919 1.934 -7.950 1.00 0.00 N flip ATOM 0 H GLN A 71 1.132 0.795 -8.810 1.00 0.00 H new ATOM 0 HA GLN A 71 2.828 -1.182 -10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.894 0.050 -7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.122 -1.026 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.811 0.545 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.327 1.468 -9.617 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.505 1.412 -8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.348 2.553 -7.262 1.00 0.00 H new ATOM 1040 N ILE A 72 0.669 -1.985 -7.960 1.00 0.00 N ATOM 1041 CA ILE A 72 0.024 -3.163 -7.332 1.00 0.00 C ATOM 1042 C ILE A 72 -0.420 -4.112 -8.441 1.00 0.00 C ATOM 1043 O ILE A 72 -0.239 -5.309 -8.354 1.00 0.00 O ATOM 1044 CB ILE A 72 -1.163 -2.671 -6.503 1.00 0.00 C ATOM 1045 CG1 ILE A 72 -0.615 -1.999 -5.231 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -2.077 -3.847 -6.131 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -1.671 -1.090 -4.593 1.00 0.00 C ATOM 0 H ILE A 72 0.207 -1.092 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 72 0.708 -3.698 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.751 -1.957 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.307 -2.762 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.272 -1.415 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.918 -3.482 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.450 -4.320 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.514 -4.575 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.259 -0.627 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.959 -0.314 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.547 -1.681 -4.326 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.963 -3.592 -9.500 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.371 -4.472 -10.625 1.00 0.00 C ATOM 1061 C ASP A 73 -0.104 -5.078 -11.247 1.00 0.00 C ATOM 1062 O ASP A 73 -0.055 -6.252 -11.558 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.119 -3.646 -11.674 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.566 -4.556 -12.819 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -2.599 -5.757 -12.616 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -2.865 -4.035 -13.881 1.00 0.00 O ATOM 0 H ASP A 73 -1.142 -2.597 -9.636 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.028 -5.265 -10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.984 -3.162 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.474 -2.854 -12.056 1.00 0.00 H new ATOM 1071 N ASP A 74 0.923 -4.279 -11.435 1.00 0.00 N ATOM 1072 CA ASP A 74 2.188 -4.809 -12.041 1.00 0.00 C ATOM 1073 C ASP A 74 2.861 -5.833 -11.115 1.00 0.00 C ATOM 1074 O ASP A 74 3.257 -6.897 -11.542 1.00 0.00 O ATOM 1075 CB ASP A 74 3.159 -3.653 -12.304 1.00 0.00 C ATOM 1076 CG ASP A 74 2.380 -2.437 -12.809 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.299 -2.632 -13.342 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.874 -1.334 -12.655 1.00 0.00 O ATOM 0 H ASP A 74 0.939 -3.288 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 74 1.932 -5.304 -12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.696 -3.400 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.905 -3.951 -13.040 1.00 0.00 H new ATOM 1083 N ALA A 75 3.026 -5.513 -9.860 1.00 0.00 N ATOM 1084 CA ALA A 75 3.700 -6.468 -8.936 1.00 0.00 C ATOM 1085 C ALA A 75 2.782 -7.661 -8.671 1.00 0.00 C ATOM 1086 O ALA A 75 3.232 -8.746 -8.356 1.00 0.00 O ATOM 1087 CB ALA A 75 4.038 -5.756 -7.620 1.00 0.00 C ATOM 0 H ALA A 75 2.725 -4.635 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 75 4.623 -6.828 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.531 -6.455 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.703 -4.916 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.121 -5.391 -7.158 1.00 0.00 H new ATOM 1093 N LEU A 76 1.500 -7.471 -8.789 1.00 0.00 N ATOM 1094 CA LEU A 76 0.561 -8.593 -8.539 1.00 0.00 C ATOM 1095 C LEU A 76 0.616 -9.569 -9.715 1.00 0.00 C ATOM 1096 O LEU A 76 0.838 -10.751 -9.530 1.00 0.00 O ATOM 1097 CB LEU A 76 -0.853 -8.034 -8.349 1.00 0.00 C ATOM 1098 CG LEU A 76 -1.855 -9.172 -8.091 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -3.132 -8.581 -7.485 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.200 -9.930 -9.401 1.00 0.00 C ATOM 0 H LEU A 76 1.063 -6.587 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 76 0.844 -9.130 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.864 -7.336 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.151 -7.474 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.403 -9.885 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.850 -9.380 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.892 -8.082 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.564 -7.860 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.910 -10.728 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.641 -9.237 -10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.291 -10.359 -9.823 1.00 0.00 H new ATOM 1112 N LYS A 77 0.433 -9.106 -10.926 1.00 0.00 N ATOM 1113 CA LYS A 77 0.505 -10.064 -12.066 1.00 0.00 C ATOM 1114 C LYS A 77 1.872 -10.725 -12.031 1.00 0.00 C ATOM 1115 O LYS A 77 2.029 -11.865 -12.409 1.00 0.00 O ATOM 1116 CB LYS A 77 0.288 -9.384 -13.439 1.00 0.00 C ATOM 1117 CG LYS A 77 1.200 -8.141 -13.640 1.00 0.00 C ATOM 1118 CD LYS A 77 2.536 -8.492 -14.337 1.00 0.00 C ATOM 1119 CE LYS A 77 2.302 -9.113 -15.729 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.950 -8.732 -16.235 1.00 0.00 N ATOM 0 H LYS A 77 0.242 -8.134 -11.169 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.297 -10.793 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.483 -10.105 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.756 -9.083 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.669 -7.397 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.408 -7.687 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.143 -7.592 -14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.099 -9.189 -13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.069 -8.771 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.386 -10.198 -15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.892 -8.930 -17.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.224 -9.283 -15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.791 -7.718 -16.070 1.00 0.00 H new ATOM 1134 N LEU A 78 2.870 -10.027 -11.559 1.00 0.00 N ATOM 1135 CA LEU A 78 4.214 -10.636 -11.486 1.00 0.00 C ATOM 1136 C LEU A 78 4.136 -11.810 -10.518 1.00 0.00 C ATOM 1137 O LEU A 78 4.551 -12.902 -10.818 1.00 0.00 O ATOM 1138 CB LEU A 78 5.231 -9.577 -11.005 1.00 0.00 C ATOM 1139 CG LEU A 78 6.574 -9.711 -11.755 1.00 0.00 C ATOM 1140 CD1 LEU A 78 7.179 -11.095 -11.486 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.373 -9.492 -13.277 1.00 0.00 C ATOM 0 H LEU A 78 2.806 -9.066 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 78 4.543 -10.992 -12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.822 -8.579 -11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.397 -9.689 -9.934 1.00 0.00 H new ATOM 0 HG LEU A 78 7.260 -8.946 -11.392 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.127 -11.187 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.349 -11.216 -10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.492 -11.866 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.331 -9.590 -13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.677 -10.237 -13.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.970 -8.494 -13.451 1.00 0.00 H new ATOM 1153 N ALA A 79 3.579 -11.605 -9.366 1.00 0.00 N ATOM 1154 CA ALA A 79 3.466 -12.732 -8.416 1.00 0.00 C ATOM 1155 C ALA A 79 2.671 -13.848 -9.092 1.00 0.00 C ATOM 1156 O ALA A 79 3.097 -14.981 -9.146 1.00 0.00 O ATOM 1157 CB ALA A 79 2.750 -12.273 -7.147 1.00 0.00 C ATOM 0 H ALA A 79 3.200 -10.714 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 79 4.457 -13.093 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.670 -13.109 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.316 -11.466 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.752 -11.916 -7.401 1.00 0.00 H new ATOM 1163 N ASN A 80 1.526 -13.530 -9.632 1.00 0.00 N ATOM 1164 CA ASN A 80 0.722 -14.571 -10.332 1.00 0.00 C ATOM 1165 C ASN A 80 1.548 -15.148 -11.483 1.00 0.00 C ATOM 1166 O ASN A 80 1.968 -16.287 -11.463 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.535 -13.943 -10.909 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.400 -13.401 -9.782 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -1.001 -13.399 -8.632 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.578 -12.940 -10.072 1.00 0.00 N ATOM 0 H ASN A 80 1.114 -12.597 -9.619 1.00 0.00 H new ATOM 0 HA ASN A 80 0.453 -15.356 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.269 -13.139 -11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.092 -14.683 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.178 -12.572 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.904 -12.946 -11.038 1.00 0.00 H new ATOM 1177 N GLU A 81 1.759 -14.349 -12.495 1.00 0.00 N ATOM 1178 CA GLU A 81 2.534 -14.798 -13.693 1.00 0.00 C ATOM 1179 C GLU A 81 4.020 -14.979 -13.354 1.00 0.00 C ATOM 1180 O GLU A 81 4.833 -15.180 -14.231 1.00 0.00 O ATOM 1181 CB GLU A 81 2.373 -13.738 -14.801 1.00 0.00 C ATOM 1182 CG GLU A 81 3.194 -14.115 -16.057 1.00 0.00 C ATOM 1183 CD GLU A 81 4.552 -13.393 -16.064 1.00 0.00 C ATOM 1184 OE1 GLU A 81 4.958 -12.913 -15.019 1.00 0.00 O ATOM 1185 OE2 GLU A 81 5.163 -13.340 -17.121 1.00 0.00 O ATOM 0 H GLU A 81 1.422 -13.388 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 81 2.151 -15.762 -14.029 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.320 -13.642 -15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.698 -12.766 -14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.351 -15.193 -16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.634 -13.853 -16.954 1.00 0.00 H new ATOM 1192 N GLY A 82 4.394 -14.916 -12.098 1.00 0.00 N ATOM 1193 CA GLY A 82 5.841 -15.084 -11.735 1.00 0.00 C ATOM 1194 C GLY A 82 5.980 -15.909 -10.462 1.00 0.00 C ATOM 1195 O GLY A 82 5.026 -16.151 -9.751 1.00 0.00 O ATOM 0 H GLY A 82 3.765 -14.756 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.372 -15.573 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.302 -14.107 -11.594 1.00 0.00 H new ATOM 1199 N LYS A 83 7.173 -16.336 -10.165 1.00 0.00 N ATOM 1200 CA LYS A 83 7.390 -17.137 -8.927 1.00 0.00 C ATOM 1201 C LYS A 83 7.351 -16.169 -7.741 1.00 0.00 C ATOM 1202 O LYS A 83 6.956 -15.025 -7.875 1.00 0.00 O ATOM 1203 CB LYS A 83 8.770 -17.849 -9.004 1.00 0.00 C ATOM 1204 CG LYS A 83 8.683 -19.324 -8.556 1.00 0.00 C ATOM 1205 CD LYS A 83 8.641 -19.433 -7.025 1.00 0.00 C ATOM 1206 CE LYS A 83 8.939 -20.876 -6.614 1.00 0.00 C ATOM 1207 NZ LYS A 83 8.163 -21.807 -7.483 1.00 0.00 N ATOM 0 H LYS A 83 8.009 -16.166 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 83 6.621 -17.901 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.146 -17.802 -10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.487 -17.320 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.792 -19.785 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.541 -19.876 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.372 -18.758 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.661 -19.132 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.006 -21.079 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.674 -21.030 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.042 -22.718 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.229 -21.396 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.676 -21.958 -8.375 1.00 0.00 H new ATOM 1221 N VAL A 84 7.771 -16.602 -6.588 1.00 0.00 N ATOM 1222 CA VAL A 84 7.768 -15.702 -5.409 1.00 0.00 C ATOM 1223 C VAL A 84 9.120 -15.000 -5.334 1.00 0.00 C ATOM 1224 O VAL A 84 9.209 -13.821 -5.052 1.00 0.00 O ATOM 1225 CB VAL A 84 7.521 -16.530 -4.152 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.697 -15.644 -2.909 1.00 0.00 C ATOM 1227 CG2 VAL A 84 6.090 -17.081 -4.213 1.00 0.00 C ATOM 0 H VAL A 84 8.117 -17.545 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 84 6.980 -14.954 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 84 8.232 -17.354 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.520 -16.237 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.711 -15.246 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.984 -14.820 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.891 -17.677 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.383 -16.253 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.978 -17.705 -5.100 1.00 0.00 H new ATOM 1237 N LYS A 85 10.175 -15.718 -5.607 1.00 0.00 N ATOM 1238 CA LYS A 85 11.527 -15.107 -5.577 1.00 0.00 C ATOM 1239 C LYS A 85 11.586 -13.995 -6.634 1.00 0.00 C ATOM 1240 O LYS A 85 12.020 -12.892 -6.369 1.00 0.00 O ATOM 1241 CB LYS A 85 12.575 -16.194 -5.888 1.00 0.00 C ATOM 1242 CG LYS A 85 13.890 -15.876 -5.172 1.00 0.00 C ATOM 1243 CD LYS A 85 14.423 -14.521 -5.650 1.00 0.00 C ATOM 1244 CE LYS A 85 15.901 -14.383 -5.278 1.00 0.00 C ATOM 1245 NZ LYS A 85 16.080 -14.722 -3.842 1.00 0.00 N ATOM 0 H LYS A 85 10.155 -16.708 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 85 11.735 -14.683 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.205 -17.169 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.742 -16.252 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.733 -15.856 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.623 -16.657 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.301 -14.432 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.848 -13.714 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.507 -15.044 -5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.242 -13.366 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.983 -14.333 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.299 -14.315 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.084 -15.756 -3.727 1.00 0.00 H new ATOM 1259 N GLU A 86 11.141 -14.278 -7.830 1.00 0.00 N ATOM 1260 CA GLU A 86 11.162 -13.239 -8.900 1.00 0.00 C ATOM 1261 C GLU A 86 10.318 -12.059 -8.442 1.00 0.00 C ATOM 1262 O GLU A 86 10.715 -10.917 -8.557 1.00 0.00 O ATOM 1263 CB GLU A 86 10.577 -13.809 -10.198 1.00 0.00 C ATOM 1264 CG GLU A 86 11.369 -15.050 -10.623 1.00 0.00 C ATOM 1265 CD GLU A 86 12.673 -14.624 -11.301 1.00 0.00 C ATOM 1266 OE1 GLU A 86 13.506 -14.041 -10.626 1.00 0.00 O ATOM 1267 OE2 GLU A 86 12.817 -14.884 -12.485 1.00 0.00 O ATOM 0 H GLU A 86 10.764 -15.183 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 86 12.188 -12.923 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.528 -14.068 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.613 -13.056 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.586 -15.670 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.774 -15.656 -11.306 1.00 0.00 H new ATOM 1274 N ALA A 87 9.158 -12.326 -7.913 1.00 0.00 N ATOM 1275 CA ALA A 87 8.295 -11.207 -7.438 1.00 0.00 C ATOM 1276 C ALA A 87 9.016 -10.467 -6.300 1.00 0.00 C ATOM 1277 O ALA A 87 8.808 -9.291 -6.077 1.00 0.00 O ATOM 1278 CB ALA A 87 6.955 -11.762 -6.942 1.00 0.00 C ATOM 0 H ALA A 87 8.771 -13.262 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 87 8.104 -10.513 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.327 -10.941 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.453 -12.284 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.131 -12.456 -6.120 1.00 0.00 H new ATOM 1284 N GLN A 88 9.872 -11.151 -5.591 1.00 0.00 N ATOM 1285 CA GLN A 88 10.623 -10.503 -4.479 1.00 0.00 C ATOM 1286 C GLN A 88 11.441 -9.343 -5.057 1.00 0.00 C ATOM 1287 O GLN A 88 11.355 -8.214 -4.620 1.00 0.00 O ATOM 1288 CB GLN A 88 11.572 -11.553 -3.872 1.00 0.00 C ATOM 1289 CG GLN A 88 11.778 -11.366 -2.353 1.00 0.00 C ATOM 1290 CD GLN A 88 11.632 -9.904 -1.905 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.278 -8.962 -2.526 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 10.912 -9.622 -0.969 1.00 0.00 N flip ATOM 0 H GLN A 88 10.085 -12.138 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 88 9.945 -10.125 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.172 -12.549 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.538 -11.497 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.055 -11.979 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.769 -11.727 -2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.403 -10.357 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.816 -8.650 -0.674 1.00 0.00 H new ATOM 1301 N ALA A 89 12.239 -9.636 -6.045 1.00 0.00 N ATOM 1302 CA ALA A 89 13.083 -8.582 -6.669 1.00 0.00 C ATOM 1303 C ALA A 89 12.185 -7.429 -7.119 1.00 0.00 C ATOM 1304 O ALA A 89 12.571 -6.280 -7.061 1.00 0.00 O ATOM 1305 CB ALA A 89 13.813 -9.166 -7.881 1.00 0.00 C ATOM 0 H ALA A 89 12.343 -10.567 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 89 13.816 -8.219 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.432 -8.395 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.444 -9.995 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.083 -9.525 -8.607 1.00 0.00 H new ATOM 1311 N ALA A 90 10.981 -7.714 -7.537 1.00 0.00 N ATOM 1312 CA ALA A 90 10.076 -6.609 -7.949 1.00 0.00 C ATOM 1313 C ALA A 90 9.890 -5.671 -6.752 1.00 0.00 C ATOM 1314 O ALA A 90 9.925 -4.466 -6.882 1.00 0.00 O ATOM 1315 CB ALA A 90 8.724 -7.190 -8.384 1.00 0.00 C ATOM 0 H ALA A 90 10.591 -8.653 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 90 10.502 -6.058 -8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.060 -6.380 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.873 -7.869 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.277 -7.734 -7.552 1.00 0.00 H new ATOM 1321 N ALA A 91 9.704 -6.219 -5.584 1.00 0.00 N ATOM 1322 CA ALA A 91 9.529 -5.368 -4.376 1.00 0.00 C ATOM 1323 C ALA A 91 10.820 -4.589 -4.110 1.00 0.00 C ATOM 1324 O ALA A 91 10.795 -3.458 -3.668 1.00 0.00 O ATOM 1325 CB ALA A 91 9.220 -6.259 -3.172 1.00 0.00 C ATOM 0 H ALA A 91 9.666 -7.224 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 91 8.708 -4.669 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.091 -5.640 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.304 -6.819 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.044 -6.954 -3.013 1.00 0.00 H new ATOM 1331 N GLU A 92 11.947 -5.197 -4.358 1.00 0.00 N ATOM 1332 CA GLU A 92 13.245 -4.516 -4.108 1.00 0.00 C ATOM 1333 C GLU A 92 13.349 -3.230 -4.936 1.00 0.00 C ATOM 1334 O GLU A 92 13.689 -2.185 -4.417 1.00 0.00 O ATOM 1335 CB GLU A 92 14.381 -5.475 -4.470 1.00 0.00 C ATOM 1336 CG GLU A 92 14.293 -6.708 -3.562 1.00 0.00 C ATOM 1337 CD GLU A 92 15.596 -7.513 -3.638 1.00 0.00 C ATOM 1338 OE1 GLU A 92 16.547 -7.132 -2.973 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.619 -8.502 -4.352 1.00 0.00 O ATOM 0 H GLU A 92 12.023 -6.145 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 92 13.315 -4.242 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.307 -5.771 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.345 -4.982 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.107 -6.399 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.452 -7.333 -3.864 1.00 0.00 H new ATOM 1346 N GLN A 93 13.061 -3.275 -6.209 1.00 0.00 N ATOM 1347 CA GLN A 93 13.157 -2.019 -7.011 1.00 0.00 C ATOM 1348 C GLN A 93 12.127 -1.019 -6.484 1.00 0.00 C ATOM 1349 O GLN A 93 12.344 0.175 -6.496 1.00 0.00 O ATOM 1350 CB GLN A 93 12.905 -2.306 -8.495 1.00 0.00 C ATOM 1351 CG GLN A 93 11.656 -3.163 -8.648 1.00 0.00 C ATOM 1352 CD GLN A 93 11.272 -3.245 -10.126 1.00 0.00 C ATOM 1353 OE1 GLN A 93 10.765 -2.294 -10.686 1.00 0.00 O ATOM 1354 NE2 GLN A 93 11.496 -4.350 -10.786 1.00 0.00 N ATOM 0 H GLN A 93 12.769 -4.108 -6.721 1.00 0.00 H new ATOM 0 HA GLN A 93 14.160 -1.603 -6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.785 -1.370 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.764 -2.819 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.837 -4.162 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.836 -2.736 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.922 -5.148 -10.315 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.245 -4.415 -11.773 1.00 0.00 H new ATOM 1363 N LEU A 94 11.009 -1.500 -6.006 1.00 0.00 N ATOM 1364 CA LEU A 94 9.978 -0.568 -5.463 1.00 0.00 C ATOM 1365 C LEU A 94 10.388 -0.100 -4.063 1.00 0.00 C ATOM 1366 O LEU A 94 10.002 0.964 -3.622 1.00 0.00 O ATOM 1367 CB LEU A 94 8.616 -1.268 -5.353 1.00 0.00 C ATOM 1368 CG LEU A 94 8.045 -1.595 -6.744 1.00 0.00 C ATOM 1369 CD1 LEU A 94 6.833 -2.520 -6.588 1.00 0.00 C ATOM 1370 CD2 LEU A 94 7.608 -0.308 -7.463 1.00 0.00 C ATOM 0 H LEU A 94 10.767 -2.490 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 94 9.900 0.280 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.722 -2.186 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.918 -0.629 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 94 8.818 -2.085 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.425 -2.754 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.140 -3.442 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.071 -2.023 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.207 -0.558 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.840 0.195 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.467 0.353 -7.580 1.00 0.00 H new ATOM 1382 N LYS A 95 11.149 -0.884 -3.348 1.00 0.00 N ATOM 1383 CA LYS A 95 11.548 -0.466 -1.976 1.00 0.00 C ATOM 1384 C LYS A 95 12.540 0.695 -2.069 1.00 0.00 C ATOM 1385 O LYS A 95 12.428 1.675 -1.358 1.00 0.00 O ATOM 1386 CB LYS A 95 12.196 -1.661 -1.244 1.00 0.00 C ATOM 1387 CG LYS A 95 11.152 -2.405 -0.397 1.00 0.00 C ATOM 1388 CD LYS A 95 10.959 -1.683 0.946 1.00 0.00 C ATOM 1389 CE LYS A 95 9.905 -2.420 1.780 1.00 0.00 C ATOM 1390 NZ LYS A 95 9.944 -1.924 3.187 1.00 0.00 N ATOM 0 H LYS A 95 11.509 -1.789 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 95 10.670 -0.141 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.637 -2.344 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.006 -1.308 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.204 -2.455 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 95 11.475 -3.432 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.904 -1.644 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.647 -0.653 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.914 -2.261 1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.093 -3.493 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.228 -2.425 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.887 -2.097 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.744 -0.904 3.201 1.00 0.00 H new ATOM 1404 N THR A 96 13.508 0.592 -2.931 1.00 0.00 N ATOM 1405 CA THR A 96 14.498 1.694 -3.051 1.00 0.00 C ATOM 1406 C THR A 96 13.836 2.894 -3.723 1.00 0.00 C ATOM 1407 O THR A 96 14.271 4.017 -3.573 1.00 0.00 O ATOM 1408 CB THR A 96 15.692 1.228 -3.895 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.633 2.286 -4.006 1.00 0.00 O ATOM 1410 CG2 THR A 96 15.220 0.815 -5.293 1.00 0.00 C ATOM 0 H THR A 96 13.657 -0.202 -3.554 1.00 0.00 H new ATOM 0 HA THR A 96 14.849 1.977 -2.059 1.00 0.00 H new ATOM 0 HB THR A 96 16.158 0.370 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.397 1.989 -4.543 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.075 0.486 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.502 -0.001 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.746 1.666 -5.783 1.00 0.00 H new ATOM 1418 N THR A 97 12.781 2.669 -4.463 1.00 0.00 N ATOM 1419 CA THR A 97 12.091 3.792 -5.141 1.00 0.00 C ATOM 1420 C THR A 97 10.925 4.249 -4.273 1.00 0.00 C ATOM 1421 O THR A 97 11.040 5.162 -3.480 1.00 0.00 O ATOM 1422 CB THR A 97 11.577 3.302 -6.497 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.684 3.029 -7.345 1.00 0.00 O ATOM 1424 CG2 THR A 97 10.698 4.374 -7.135 1.00 0.00 C ATOM 0 H THR A 97 12.371 1.749 -4.624 1.00 0.00 H new ATOM 0 HA THR A 97 12.774 4.628 -5.293 1.00 0.00 H new ATOM 0 HB THR A 97 10.989 2.395 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.889 2.071 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.335 4.020 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.850 4.585 -6.483 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.280 5.284 -7.278 1.00 0.00 H new ATOM 1432 N GLY A 98 9.800 3.609 -4.418 1.00 0.00 N ATOM 1433 CA GLY A 98 8.612 3.981 -3.608 1.00 0.00 C ATOM 1434 C GLY A 98 8.425 5.503 -3.637 1.00 0.00 C ATOM 1435 O GLY A 98 7.721 6.066 -2.823 1.00 0.00 O ATOM 0 H GLY A 98 9.653 2.838 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.723 3.488 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.738 3.640 -2.581 1.00 0.00 H new ATOM 1439 N ARG A 99 9.061 6.178 -4.561 1.00 0.00 N ATOM 1440 CA ARG A 99 8.929 7.659 -4.625 1.00 0.00 C ATOM 1441 C ARG A 99 7.636 8.034 -5.343 1.00 0.00 C ATOM 1442 O ARG A 99 7.068 7.258 -6.088 1.00 0.00 O ATOM 1443 CB ARG A 99 10.133 8.259 -5.372 1.00 0.00 C ATOM 1444 CG ARG A 99 11.360 8.330 -4.442 1.00 0.00 C ATOM 1445 CD ARG A 99 11.302 9.594 -3.574 1.00 0.00 C ATOM 1446 NE ARG A 99 12.549 9.693 -2.764 1.00 0.00 N ATOM 1447 CZ ARG A 99 12.698 10.678 -1.923 1.00 0.00 C ATOM 1448 NH1 ARG A 99 11.772 11.591 -1.826 1.00 0.00 N ATOM 1449 NH2 ARG A 99 13.774 10.754 -1.189 1.00 0.00 N ATOM 0 H ARG A 99 9.665 5.765 -5.272 1.00 0.00 H new ATOM 0 HA ARG A 99 8.903 8.058 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.366 7.652 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.884 9.257 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.393 7.446 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.274 8.330 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.193 10.477 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.431 9.560 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 99 13.283 8.993 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.935 11.533 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.884 12.363 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.500 10.042 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.889 11.525 -0.531 1.00 0.00 H new ATOM 1463 N ALA A 100 7.170 9.225 -5.114 1.00 0.00 N ATOM 1464 CA ALA A 100 5.913 9.679 -5.765 1.00 0.00 C ATOM 1465 C ALA A 100 5.849 11.208 -5.731 1.00 0.00 C ATOM 1466 O ALA A 100 4.786 11.798 -5.778 1.00 0.00 O ATOM 1467 CB ALA A 100 4.720 9.106 -5.004 1.00 0.00 C ATOM 0 H ALA A 100 7.609 9.910 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 100 5.889 9.336 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.795 9.435 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.768 8.017 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.745 9.456 -3.972 1.00 0.00 H new ATOM 1473 N GLY A 101 6.981 11.851 -5.643 1.00 0.00 N ATOM 1474 CA GLY A 101 7.003 13.344 -5.600 1.00 0.00 C ATOM 1475 C GLY A 101 6.582 13.817 -4.206 1.00 0.00 C ATOM 1476 O GLY A 101 5.572 14.477 -4.045 1.00 0.00 O ATOM 0 H GLY A 101 7.897 11.405 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.002 13.711 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.329 13.751 -6.354 1.00 0.00 H new ATOM 1480 N ASN A 102 7.332 13.469 -3.193 1.00 0.00 N ATOM 1481 CA ASN A 102 6.955 13.880 -1.807 1.00 0.00 C ATOM 1482 C ASN A 102 7.444 15.304 -1.506 1.00 0.00 C ATOM 1483 O ASN A 102 7.311 15.783 -0.395 1.00 0.00 O ATOM 1484 CB ASN A 102 7.579 12.893 -0.805 1.00 0.00 C ATOM 1485 CG ASN A 102 6.753 12.863 0.487 1.00 0.00 C ATOM 1486 OD1 ASN A 102 6.110 11.875 0.788 1.00 0.00 O ATOM 1487 ND2 ASN A 102 6.732 13.913 1.259 1.00 0.00 N ATOM 0 H ASN A 102 8.188 12.919 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 102 5.869 13.868 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.621 11.896 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 102 8.605 13.187 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.177 13.906 2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.271 14.742 1.007 1.00 0.00 H new ATOM 1494 N GLN A 103 8.003 15.993 -2.479 1.00 0.00 N ATOM 1495 CA GLN A 103 8.494 17.387 -2.244 1.00 0.00 C ATOM 1496 C GLN A 103 7.585 18.378 -2.977 1.00 0.00 C ATOM 1497 O GLN A 103 6.381 18.238 -2.976 1.00 0.00 O ATOM 1498 CB GLN A 103 9.927 17.529 -2.782 1.00 0.00 C ATOM 1499 CG GLN A 103 10.602 18.768 -2.147 1.00 0.00 C ATOM 1500 CD GLN A 103 11.552 19.433 -3.153 1.00 0.00 C ATOM 1501 OE1 GLN A 103 12.598 18.900 -3.461 1.00 0.00 O ATOM 1502 NE2 GLN A 103 11.225 20.580 -3.683 1.00 0.00 N ATOM 0 H GLN A 103 8.139 15.645 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 103 8.483 17.595 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.502 16.632 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.910 17.628 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.842 19.481 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.155 18.472 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.346 21.029 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.848 21.027 -4.355 1.00 0.00 H new ATOM 1511 N LYS A 104 8.168 19.360 -3.624 1.00 0.00 N ATOM 1512 CA LYS A 104 7.374 20.374 -4.384 1.00 0.00 C ATOM 1513 C LYS A 104 6.433 21.137 -3.433 1.00 0.00 C ATOM 1514 O LYS A 104 6.269 22.335 -3.544 1.00 0.00 O ATOM 1515 CB LYS A 104 6.595 19.652 -5.514 1.00 0.00 C ATOM 1516 CG LYS A 104 5.134 20.135 -5.609 1.00 0.00 C ATOM 1517 CD LYS A 104 4.481 19.520 -6.857 1.00 0.00 C ATOM 1518 CE LYS A 104 2.952 19.629 -6.770 1.00 0.00 C ATOM 1519 NZ LYS A 104 2.372 19.500 -8.138 1.00 0.00 N ATOM 0 H LYS A 104 9.178 19.502 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 104 8.037 21.112 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.096 19.824 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.610 18.577 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.583 19.844 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.101 21.223 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.838 20.031 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.773 18.474 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.556 18.849 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.668 20.585 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.693 20.271 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.133 19.554 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.884 18.585 -8.224 1.00 0.00 H new ATOM 1533 N GLY A 105 5.804 20.460 -2.514 1.00 0.00 N ATOM 1534 CA GLY A 105 4.872 21.156 -1.585 1.00 0.00 C ATOM 1535 C GLY A 105 4.795 20.391 -0.260 1.00 0.00 C ATOM 1536 O GLY A 105 3.766 19.854 0.098 1.00 0.00 O ATOM 0 H GLY A 105 5.895 19.455 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.214 22.176 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.881 21.226 -2.034 1.00 0.00 H new ATOM 1540 N GLY A 106 5.881 20.341 0.474 1.00 0.00 N ATOM 1541 CA GLY A 106 5.894 19.614 1.782 1.00 0.00 C ATOM 1542 C GLY A 106 5.906 20.623 2.936 1.00 0.00 C ATOM 1543 O GLY A 106 6.210 20.219 4.047 1.00 0.00 O ATOM 1544 OXT GLY A 106 5.610 21.779 2.689 1.00 0.00 O ATOM 0 H GLY A 106 6.767 20.777 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.018 18.970 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.771 18.969 1.841 1.00 0.00 H new TER 1548 GLY A 106