USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 76 MET CE :methyl 169:sc=-0.00167 (180deg=-0.12) USER MOD Set 1.2: A 80 THR OG1 : rot 84:sc= 0.409 USER MOD Set 1.3: A 91 THR OG1 : rot -168:sc= 1.64 USER MOD Set 2.1: A 44 SER OG : rot -75:sc= 2.28 USER MOD Set 2.2: A 99 TYR OH : rot 151:sc= 1.25 USER MOD Set 3.1: A 9 CYS SG : rot 180:sc= 0.485 USER MOD Set 3.2: A 94 CYS SG : rot 116:sc= -0.954 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0621 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.93) USER MOD Single : A 5 THR OG1 : rot -123:sc= 1.23 USER MOD Single : A 11 MET CE :methyl 178:sc= -0.233 (180deg=-0.236) USER MOD Single : A 12 ASN : amide:sc= 0.929 K(o=0.93,f=-0.11) USER MOD Single : A 13 MET CE :methyl -159:sc= -3.54 (180deg=-5.37!) USER MOD Single : A 25 TYR OH : rot -178:sc= 0.239 USER MOD Single : A 36 CYS SG : rot -89:sc= -0.904 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.0808 (180deg=-0.526) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.941 (180deg=-1.04!) USER MOD Single : A 59 CYS SG : rot 180:sc=-0.000997 USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= 0.81 (180deg=0.592) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.231 USER MOD Single : A 68 SER OG : rot 2:sc= 0.364 USER MOD Single : A 72 CYS SG : rot 160:sc= -1.68 USER MOD Single : A 73 GLN : amide:sc= 0.919 K(o=0.92,f=-0.00029) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.342 K(o=0.34,f=-0.28) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00417 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0971 USER MOD Single : A 100 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.756 14.159 7.248 1.00 0.00 N ATOM 2 CA GLY A 1 15.377 13.931 5.939 1.00 0.00 C ATOM 3 C GLY A 1 14.334 13.535 4.912 1.00 0.00 C ATOM 4 O GLY A 1 13.295 12.969 5.265 1.00 0.00 O ATOM 0 H1 GLY A 1 15.405 13.849 7.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.552 15.172 7.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.870 13.618 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.891 14.835 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.130 13.148 6.020 1.00 0.00 H new ATOM 8 N GLY A 2 14.633 13.821 3.645 1.00 0.00 N ATOM 9 CA GLY A 2 13.714 13.680 2.530 1.00 0.00 C ATOM 10 C GLY A 2 12.848 14.925 2.414 1.00 0.00 C ATOM 11 O GLY A 2 12.274 15.377 3.407 1.00 0.00 O ATOM 0 H GLY A 2 15.550 14.167 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.271 13.526 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.086 12.801 2.674 1.00 0.00 H new ATOM 15 N HIS A 3 12.735 15.480 1.208 1.00 0.00 N ATOM 16 CA HIS A 3 11.688 16.448 0.903 1.00 0.00 C ATOM 17 C HIS A 3 10.333 15.721 0.901 1.00 0.00 C ATOM 18 O HIS A 3 10.289 14.516 0.626 1.00 0.00 O ATOM 19 CB HIS A 3 11.980 17.139 -0.441 1.00 0.00 C ATOM 20 CG HIS A 3 12.033 16.228 -1.646 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.038 15.341 -1.968 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.109 16.179 -2.654 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.720 14.764 -3.138 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.557 15.253 -3.604 1.00 0.00 N ATOM 0 H HIS A 3 13.358 15.274 0.427 1.00 0.00 H new ATOM 0 HA HIS A 3 11.658 17.231 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.215 17.896 -0.614 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.933 17.662 -0.361 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.196 16.753 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.315 14.012 -3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.093 15.000 -4.476 1.00 0.00 H new ATOM 32 N PRO A 4 9.221 16.413 1.201 1.00 0.00 N ATOM 33 CA PRO A 4 7.887 15.838 1.090 1.00 0.00 C ATOM 34 C PRO A 4 7.545 15.675 -0.391 1.00 0.00 C ATOM 35 O PRO A 4 7.938 16.516 -1.206 1.00 0.00 O ATOM 36 CB PRO A 4 6.957 16.837 1.793 1.00 0.00 C ATOM 37 CG PRO A 4 7.679 18.173 1.622 1.00 0.00 C ATOM 38 CD PRO A 4 9.155 17.793 1.650 1.00 0.00 C ATOM 0 HA PRO A 4 7.797 14.852 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.967 16.854 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.819 16.586 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.408 18.657 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.429 18.868 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.738 18.444 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.566 17.897 2.654 1.00 0.00 H new ATOM 46 N THR A 5 6.783 14.638 -0.735 1.00 0.00 N ATOM 47 CA THR A 5 6.363 14.357 -2.103 1.00 0.00 C ATOM 48 C THR A 5 4.885 13.951 -2.074 1.00 0.00 C ATOM 49 O THR A 5 4.341 13.649 -1.005 1.00 0.00 O ATOM 50 CB THR A 5 7.276 13.285 -2.739 1.00 0.00 C ATOM 51 OG1 THR A 5 7.025 12.007 -2.191 1.00 0.00 O ATOM 52 CG2 THR A 5 8.766 13.620 -2.597 1.00 0.00 C ATOM 0 H THR A 5 6.435 13.959 -0.058 1.00 0.00 H new ATOM 0 HA THR A 5 6.461 15.241 -2.733 1.00 0.00 H new ATOM 0 HB THR A 5 7.034 13.276 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.855 11.643 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.362 12.834 -3.061 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.974 14.570 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.023 13.694 -1.540 1.00 0.00 H new ATOM 60 N GLU A 6 4.220 13.909 -3.226 1.00 0.00 N ATOM 61 CA GLU A 6 2.798 13.563 -3.311 1.00 0.00 C ATOM 62 C GLU A 6 2.522 12.059 -3.232 1.00 0.00 C ATOM 63 O GLU A 6 1.365 11.650 -3.327 1.00 0.00 O ATOM 64 CB GLU A 6 2.163 14.240 -4.529 1.00 0.00 C ATOM 65 CG GLU A 6 2.659 13.730 -5.885 1.00 0.00 C ATOM 66 CD GLU A 6 2.371 14.746 -6.992 1.00 0.00 C ATOM 67 OE1 GLU A 6 1.492 15.622 -6.846 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.125 14.773 -7.995 1.00 0.00 O ATOM 0 H GLU A 6 4.649 14.113 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 6 2.311 13.958 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.083 14.104 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.352 15.312 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.730 13.536 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.174 12.783 -6.121 1.00 0.00 H new ATOM 75 N VAL A 7 3.564 11.246 -3.046 1.00 0.00 N ATOM 76 CA VAL A 7 3.459 9.803 -2.928 1.00 0.00 C ATOM 77 C VAL A 7 3.522 9.481 -1.439 1.00 0.00 C ATOM 78 O VAL A 7 4.599 9.312 -0.866 1.00 0.00 O ATOM 79 CB VAL A 7 4.545 9.123 -3.780 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.368 7.600 -3.745 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.477 9.640 -5.228 1.00 0.00 C ATOM 0 H VAL A 7 4.522 11.587 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 7 2.520 9.412 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 7 5.524 9.367 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.142 7.130 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.449 7.248 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.387 7.338 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.249 9.154 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.497 9.415 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.637 10.718 -5.237 1.00 0.00 H new ATOM 91 N LEU A 8 2.366 9.477 -0.785 1.00 0.00 N ATOM 92 CA LEU A 8 2.204 9.107 0.612 1.00 0.00 C ATOM 93 C LEU A 8 2.541 7.627 0.761 1.00 0.00 C ATOM 94 O LEU A 8 1.858 6.780 0.182 1.00 0.00 O ATOM 95 CB LEU A 8 0.751 9.384 1.021 1.00 0.00 C ATOM 96 CG LEU A 8 0.371 8.895 2.428 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.304 9.467 3.486 1.00 0.00 C ATOM 98 CD2 LEU A 8 -1.060 9.327 2.758 1.00 0.00 C ATOM 0 H LEU A 8 1.487 9.741 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 8 2.867 9.685 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.571 10.458 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.088 8.911 0.296 1.00 0.00 H new ATOM 0 HG LEU A 8 0.454 7.808 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.007 9.101 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.327 9.155 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.247 10.555 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.324 8.978 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.129 10.414 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.747 8.897 2.029 1.00 0.00 H new ATOM 110 N CYS A 9 3.575 7.305 1.533 1.00 0.00 N ATOM 111 CA CYS A 9 3.863 5.919 1.865 1.00 0.00 C ATOM 112 C CYS A 9 3.011 5.536 3.060 1.00 0.00 C ATOM 113 O CYS A 9 2.850 6.322 4.005 1.00 0.00 O ATOM 114 CB CYS A 9 5.331 5.755 2.251 1.00 0.00 C ATOM 115 SG CYS A 9 5.829 4.007 2.224 1.00 0.00 S ATOM 0 H CYS A 9 4.222 7.982 1.937 1.00 0.00 H new ATOM 0 HA CYS A 9 3.649 5.289 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.956 6.324 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.496 6.167 3.247 1.00 0.00 H new ATOM 0 HG CYS A 9 7.082 3.908 2.555 1.00 0.00 H new ATOM 121 N LEU A 10 2.538 4.295 3.053 1.00 0.00 N ATOM 122 CA LEU A 10 1.761 3.708 4.117 1.00 0.00 C ATOM 123 C LEU A 10 2.270 2.311 4.399 1.00 0.00 C ATOM 124 O LEU A 10 2.845 1.647 3.532 1.00 0.00 O ATOM 125 CB LEU A 10 0.302 3.616 3.689 1.00 0.00 C ATOM 126 CG LEU A 10 -0.351 4.967 3.378 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.713 4.749 2.744 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.520 5.821 4.630 1.00 0.00 C ATOM 0 H LEU A 10 2.695 3.655 2.275 1.00 0.00 H new ATOM 0 HA LEU A 10 1.850 4.327 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.234 2.981 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.266 3.125 4.479 1.00 0.00 H new ATOM 0 HG LEU A 10 0.309 5.495 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.171 5.714 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.597 4.184 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.350 4.192 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.986 6.769 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.151 5.295 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.456 6.010 5.076 1.00 0.00 H new ATOM 140 N MET A 11 2.014 1.854 5.617 1.00 0.00 N ATOM 141 CA MET A 11 2.374 0.539 6.114 1.00 0.00 C ATOM 142 C MET A 11 1.188 0.001 6.907 1.00 0.00 C ATOM 143 O MET A 11 0.298 0.761 7.299 1.00 0.00 O ATOM 144 CB MET A 11 3.616 0.666 7.007 1.00 0.00 C ATOM 145 CG MET A 11 4.871 1.073 6.221 1.00 0.00 C ATOM 146 SD MET A 11 6.024 2.134 7.124 1.00 0.00 S ATOM 147 CE MET A 11 5.078 3.681 7.179 1.00 0.00 C ATOM 0 H MET A 11 1.528 2.417 6.315 1.00 0.00 H new ATOM 0 HA MET A 11 2.607 -0.145 5.298 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.425 1.404 7.786 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.798 -0.285 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.397 0.170 5.912 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.561 1.589 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.639 4.431 7.737 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.905 4.038 6.164 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.121 3.505 7.670 1.00 0.00 H new ATOM 157 N ASN A 12 1.213 -1.301 7.185 1.00 0.00 N ATOM 158 CA ASN A 12 0.269 -2.054 8.009 1.00 0.00 C ATOM 159 C ASN A 12 -1.161 -1.988 7.451 1.00 0.00 C ATOM 160 O ASN A 12 -2.141 -2.068 8.194 1.00 0.00 O ATOM 161 CB ASN A 12 0.271 -1.572 9.460 1.00 0.00 C ATOM 162 CG ASN A 12 1.588 -1.385 10.201 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.671 -1.797 9.779 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.517 -0.734 11.352 1.00 0.00 N ATOM 0 H ASN A 12 1.948 -1.902 6.813 1.00 0.00 H new ATOM 0 HA ASN A 12 0.606 -3.090 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.252 -0.616 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.327 -2.278 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.363 -0.569 11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.617 -0.397 11.693 1.00 0.00 H new ATOM 171 N MET A 13 -1.313 -1.797 6.139 1.00 0.00 N ATOM 172 CA MET A 13 -2.547 -2.188 5.469 1.00 0.00 C ATOM 173 C MET A 13 -2.542 -3.712 5.412 1.00 0.00 C ATOM 174 O MET A 13 -3.228 -4.380 6.182 1.00 0.00 O ATOM 175 CB MET A 13 -2.625 -1.568 4.065 1.00 0.00 C ATOM 176 CG MET A 13 -3.381 -0.257 3.966 1.00 0.00 C ATOM 177 SD MET A 13 -2.381 1.196 3.589 1.00 0.00 S ATOM 178 CE MET A 13 -2.466 1.952 5.216 1.00 0.00 C ATOM 0 H MET A 13 -0.608 -1.381 5.531 1.00 0.00 H new ATOM 0 HA MET A 13 -3.424 -1.829 6.008 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.610 -1.409 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.095 -2.288 3.395 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.147 -0.358 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.898 -0.085 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.245 3.016 5.135 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.467 1.819 5.627 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.738 1.480 5.875 1.00 0.00 H new ATOM 188 N VAL A 14 -1.713 -4.255 4.526 1.00 0.00 N ATOM 189 CA VAL A 14 -1.784 -5.633 4.073 1.00 0.00 C ATOM 190 C VAL A 14 -0.886 -6.531 4.927 1.00 0.00 C ATOM 191 O VAL A 14 -0.088 -6.050 5.748 1.00 0.00 O ATOM 192 CB VAL A 14 -1.429 -5.669 2.565 1.00 0.00 C ATOM 193 CG1 VAL A 14 -2.447 -4.872 1.738 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.011 -5.140 2.309 1.00 0.00 C ATOM 0 H VAL A 14 -0.953 -3.730 4.093 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.793 -6.028 4.193 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.466 -6.712 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.173 -4.915 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.440 -5.301 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.452 -3.834 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.205 -5.180 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.061 -4.109 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.710 -5.755 2.848 1.00 0.00 H new ATOM 204 N LEU A 15 -0.980 -7.841 4.714 1.00 0.00 N ATOM 205 CA LEU A 15 -0.070 -8.833 5.279 1.00 0.00 C ATOM 206 C LEU A 15 0.495 -9.668 4.133 1.00 0.00 C ATOM 207 O LEU A 15 -0.138 -9.774 3.076 1.00 0.00 O ATOM 208 CB LEU A 15 -0.814 -9.715 6.301 1.00 0.00 C ATOM 209 CG LEU A 15 -1.146 -9.034 7.641 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.943 -10.000 8.523 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.118 -8.628 8.407 1.00 0.00 C ATOM 0 H LEU A 15 -1.708 -8.252 4.130 1.00 0.00 H new ATOM 0 HA LEU A 15 0.748 -8.344 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.743 -10.061 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.209 -10.599 6.502 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.723 -8.138 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.178 -9.517 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.868 -10.275 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.351 -10.896 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.163 -8.151 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.718 -9.514 8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.699 -7.929 7.805 1.00 0.00 H new ATOM 223 N PRO A 16 1.658 -10.319 4.313 1.00 0.00 N ATOM 224 CA PRO A 16 2.248 -11.147 3.266 1.00 0.00 C ATOM 225 C PRO A 16 1.437 -12.421 2.986 1.00 0.00 C ATOM 226 O PRO A 16 1.765 -13.145 2.049 1.00 0.00 O ATOM 227 CB PRO A 16 3.673 -11.456 3.744 1.00 0.00 C ATOM 228 CG PRO A 16 3.543 -11.418 5.265 1.00 0.00 C ATOM 229 CD PRO A 16 2.511 -10.315 5.496 1.00 0.00 C ATOM 0 HA PRO A 16 2.252 -10.624 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.014 -12.430 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.389 -10.718 3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.207 -12.375 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.494 -11.188 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.930 -10.505 6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.995 -9.347 5.627 1.00 0.00 H new ATOM 237 N GLU A 17 0.317 -12.636 3.675 1.00 0.00 N ATOM 238 CA GLU A 17 -0.568 -13.789 3.567 1.00 0.00 C ATOM 239 C GLU A 17 -2.013 -13.396 3.228 1.00 0.00 C ATOM 240 O GLU A 17 -2.909 -14.220 3.360 1.00 0.00 O ATOM 241 CB GLU A 17 -0.469 -14.605 4.863 1.00 0.00 C ATOM 242 CG GLU A 17 -0.868 -13.835 6.136 1.00 0.00 C ATOM 243 CD GLU A 17 -0.562 -14.582 7.435 1.00 0.00 C ATOM 244 OE1 GLU A 17 -1.040 -15.731 7.604 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.150 -14.034 8.309 1.00 0.00 O ATOM 0 H GLU A 17 -0.015 -11.965 4.367 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.245 -14.407 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.105 -15.486 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.555 -14.961 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.347 -12.878 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.935 -13.617 6.097 1.00 0.00 H new ATOM 252 N GLU A 18 -2.278 -12.150 2.826 1.00 0.00 N ATOM 253 CA GLU A 18 -3.644 -11.631 2.706 1.00 0.00 C ATOM 254 C GLU A 18 -3.823 -10.763 1.448 1.00 0.00 C ATOM 255 O GLU A 18 -4.698 -9.898 1.401 1.00 0.00 O ATOM 256 CB GLU A 18 -3.985 -10.841 3.979 1.00 0.00 C ATOM 257 CG GLU A 18 -3.952 -11.615 5.305 1.00 0.00 C ATOM 258 CD GLU A 18 -4.953 -12.765 5.454 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.771 -12.993 4.535 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.951 -13.382 6.550 1.00 0.00 O ATOM 0 H GLU A 18 -1.556 -11.475 2.575 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.331 -12.470 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.290 -10.005 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.982 -10.416 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.948 -12.018 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.123 -10.908 6.117 1.00 0.00 H new ATOM 267 N LEU A 19 -2.968 -10.943 0.438 1.00 0.00 N ATOM 268 CA LEU A 19 -3.037 -10.237 -0.857 1.00 0.00 C ATOM 269 C LEU A 19 -3.453 -11.148 -2.013 1.00 0.00 C ATOM 270 O LEU A 19 -3.367 -10.746 -3.171 1.00 0.00 O ATOM 271 CB LEU A 19 -1.682 -9.594 -1.199 1.00 0.00 C ATOM 272 CG LEU A 19 -1.321 -8.419 -0.285 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.123 -7.956 -0.520 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.294 -7.272 -0.621 1.00 0.00 C ATOM 0 H LEU A 19 -2.188 -11.598 0.493 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.803 -9.471 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.901 -10.351 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.702 -9.248 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.401 -8.720 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.350 -7.121 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.807 -8.779 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.239 -7.638 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.072 -6.411 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.181 -6.994 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.318 -7.599 -0.441 1.00 0.00 H new ATOM 286 N LEU A 20 -3.825 -12.394 -1.736 1.00 0.00 N ATOM 287 CA LEU A 20 -3.946 -13.409 -2.776 1.00 0.00 C ATOM 288 C LEU A 20 -5.301 -13.320 -3.479 1.00 0.00 C ATOM 289 O LEU A 20 -5.405 -13.611 -4.670 1.00 0.00 O ATOM 290 CB LEU A 20 -3.717 -14.803 -2.177 1.00 0.00 C ATOM 291 CG LEU A 20 -2.392 -15.021 -1.418 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.167 -14.445 -2.144 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.404 -14.534 0.041 1.00 0.00 C ATOM 0 H LEU A 20 -4.048 -12.725 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.180 -13.228 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.539 -15.020 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.771 -15.533 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.302 -16.107 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.271 -14.635 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.065 -14.920 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.294 -13.370 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.433 -14.727 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.610 -13.464 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.177 -15.065 0.596 1.00 0.00 H new ATOM 305 N ASP A 21 -6.324 -12.869 -2.754 1.00 0.00 N ATOM 306 CA ASP A 21 -7.660 -12.601 -3.266 1.00 0.00 C ATOM 307 C ASP A 21 -7.588 -11.401 -4.208 1.00 0.00 C ATOM 308 O ASP A 21 -7.333 -10.281 -3.760 1.00 0.00 O ATOM 309 CB ASP A 21 -8.630 -12.335 -2.105 1.00 0.00 C ATOM 310 CG ASP A 21 -9.142 -13.640 -1.504 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.476 -14.223 -0.623 1.00 0.00 O ATOM 312 OD2 ASP A 21 -10.214 -14.108 -1.955 1.00 0.00 O ATOM 0 H ASP A 21 -6.238 -12.674 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.032 -13.466 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.128 -11.749 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.472 -11.740 -2.460 1.00 0.00 H new ATOM 317 N ASP A 22 -7.770 -11.633 -5.511 1.00 0.00 N ATOM 318 CA ASP A 22 -7.821 -10.574 -6.528 1.00 0.00 C ATOM 319 C ASP A 22 -9.075 -9.715 -6.330 1.00 0.00 C ATOM 320 O ASP A 22 -9.007 -8.504 -6.515 1.00 0.00 O ATOM 321 CB ASP A 22 -7.782 -11.155 -7.961 1.00 0.00 C ATOM 322 CG ASP A 22 -6.376 -11.231 -8.583 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.368 -11.358 -7.846 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.253 -11.282 -9.829 1.00 0.00 O ATOM 0 H ASP A 22 -7.888 -12.570 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.937 -9.949 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.213 -12.156 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.417 -10.545 -8.604 1.00 0.00 H new ATOM 329 N GLU A 23 -10.197 -10.325 -5.922 1.00 0.00 N ATOM 330 CA GLU A 23 -11.463 -9.628 -5.677 1.00 0.00 C ATOM 331 C GLU A 23 -11.308 -8.660 -4.508 1.00 0.00 C ATOM 332 O GLU A 23 -11.407 -7.454 -4.697 1.00 0.00 O ATOM 333 CB GLU A 23 -12.613 -10.618 -5.408 1.00 0.00 C ATOM 334 CG GLU A 23 -13.023 -11.379 -6.674 1.00 0.00 C ATOM 335 CD GLU A 23 -14.177 -12.380 -6.491 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.726 -12.544 -5.372 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.474 -13.083 -7.489 1.00 0.00 O ATOM 0 H GLU A 23 -10.249 -11.329 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.718 -9.066 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.307 -11.329 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.474 -10.076 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.309 -10.655 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.154 -11.916 -7.053 1.00 0.00 H new ATOM 344 N GLU A 24 -11.055 -9.171 -3.299 1.00 0.00 N ATOM 345 CA GLU A 24 -11.048 -8.367 -2.088 1.00 0.00 C ATOM 346 C GLU A 24 -10.028 -7.221 -2.164 1.00 0.00 C ATOM 347 O GLU A 24 -10.290 -6.121 -1.679 1.00 0.00 O ATOM 348 CB GLU A 24 -10.790 -9.297 -0.895 1.00 0.00 C ATOM 349 CG GLU A 24 -11.270 -8.646 0.402 1.00 0.00 C ATOM 350 CD GLU A 24 -11.219 -9.588 1.607 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.278 -10.406 1.739 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.116 -9.488 2.474 1.00 0.00 O ATOM 0 H GLU A 24 -10.850 -10.157 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.017 -7.883 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.306 -10.245 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.726 -9.522 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.657 -7.769 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.293 -8.295 0.267 1.00 0.00 H new ATOM 359 N TYR A 25 -8.887 -7.457 -2.816 1.00 0.00 N ATOM 360 CA TYR A 25 -7.905 -6.441 -3.150 1.00 0.00 C ATOM 361 C TYR A 25 -8.545 -5.252 -3.894 1.00 0.00 C ATOM 362 O TYR A 25 -8.219 -4.106 -3.584 1.00 0.00 O ATOM 363 CB TYR A 25 -6.822 -7.139 -3.976 1.00 0.00 C ATOM 364 CG TYR A 25 -5.775 -6.261 -4.624 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.057 -5.654 -5.862 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.490 -6.157 -4.060 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.061 -4.937 -6.542 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.482 -5.452 -4.742 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.768 -4.844 -5.984 1.00 0.00 C ATOM 370 OH TYR A 25 -2.792 -4.168 -6.642 1.00 0.00 O ATOM 0 H TYR A 25 -8.620 -8.389 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.469 -6.005 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.311 -7.853 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.313 -7.714 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.045 -5.740 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.278 -6.617 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.282 -4.460 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.492 -5.376 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.955 -4.227 -6.136 1.00 0.00 H new ATOM 380 N GLU A 26 -9.421 -5.492 -4.872 1.00 0.00 N ATOM 381 CA GLU A 26 -10.048 -4.478 -5.716 1.00 0.00 C ATOM 382 C GLU A 26 -11.131 -3.717 -4.959 1.00 0.00 C ATOM 383 O GLU A 26 -11.268 -2.511 -5.182 1.00 0.00 O ATOM 384 CB GLU A 26 -10.626 -5.154 -6.981 1.00 0.00 C ATOM 385 CG GLU A 26 -9.838 -4.782 -8.241 1.00 0.00 C ATOM 386 CD GLU A 26 -10.267 -5.593 -9.473 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.252 -5.231 -10.160 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.539 -6.531 -9.863 1.00 0.00 O ATOM 0 H GLU A 26 -9.724 -6.438 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.293 -3.749 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.613 -6.236 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.668 -4.860 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.971 -3.720 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.775 -4.941 -8.059 1.00 0.00 H new ATOM 395 N GLU A 27 -11.842 -4.387 -4.054 1.00 0.00 N ATOM 396 CA GLU A 27 -12.829 -3.778 -3.165 1.00 0.00 C ATOM 397 C GLU A 27 -12.125 -2.725 -2.299 1.00 0.00 C ATOM 398 O GLU A 27 -12.516 -1.557 -2.249 1.00 0.00 O ATOM 399 CB GLU A 27 -13.494 -4.836 -2.271 1.00 0.00 C ATOM 400 CG GLU A 27 -14.153 -5.998 -3.027 1.00 0.00 C ATOM 401 CD GLU A 27 -15.399 -5.653 -3.853 1.00 0.00 C ATOM 402 OE1 GLU A 27 -16.018 -4.590 -3.597 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.841 -6.510 -4.657 1.00 0.00 O ATOM 0 H GLU A 27 -11.745 -5.393 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.611 -3.311 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.743 -5.242 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.249 -4.348 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.411 -6.436 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.424 -6.767 -2.303 1.00 0.00 H new ATOM 410 N ILE A 28 -11.055 -3.148 -1.617 1.00 0.00 N ATOM 411 CA ILE A 28 -10.335 -2.346 -0.635 1.00 0.00 C ATOM 412 C ILE A 28 -9.815 -1.054 -1.277 1.00 0.00 C ATOM 413 O ILE A 28 -9.869 0.014 -0.666 1.00 0.00 O ATOM 414 CB ILE A 28 -9.206 -3.203 -0.006 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.810 -4.306 0.897 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.264 -2.304 0.818 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.828 -5.434 1.240 1.00 0.00 C ATOM 0 H ILE A 28 -10.660 -4.081 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.006 -2.042 0.168 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.637 -3.678 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.164 -3.851 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.680 -4.734 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.473 -2.912 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.822 -1.548 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.829 -1.815 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.324 -6.168 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.493 -5.916 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.968 -5.020 1.767 1.00 0.00 H new ATOM 429 N VAL A 29 -9.274 -1.142 -2.489 1.00 0.00 N ATOM 430 CA VAL A 29 -8.674 -0.020 -3.200 1.00 0.00 C ATOM 431 C VAL A 29 -9.697 1.096 -3.445 1.00 0.00 C ATOM 432 O VAL A 29 -9.304 2.271 -3.487 1.00 0.00 O ATOM 433 CB VAL A 29 -8.121 -0.591 -4.510 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.685 0.461 -5.532 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.876 -1.456 -4.253 1.00 0.00 C ATOM 0 H VAL A 29 -9.240 -2.015 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.877 0.440 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.959 -1.159 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.308 -0.035 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.537 1.087 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.899 1.082 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.504 -1.849 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.102 -0.849 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.138 -2.284 -3.595 1.00 0.00 H new ATOM 445 N GLU A 30 -10.969 0.743 -3.643 1.00 0.00 N ATOM 446 CA GLU A 30 -12.026 1.729 -3.844 1.00 0.00 C ATOM 447 C GLU A 30 -12.388 2.402 -2.524 1.00 0.00 C ATOM 448 O GLU A 30 -12.406 3.633 -2.448 1.00 0.00 O ATOM 449 CB GLU A 30 -13.261 1.093 -4.498 1.00 0.00 C ATOM 450 CG GLU A 30 -12.992 0.584 -5.922 1.00 0.00 C ATOM 451 CD GLU A 30 -13.371 1.585 -7.018 1.00 0.00 C ATOM 452 OE1 GLU A 30 -12.634 2.581 -7.223 1.00 0.00 O ATOM 453 OE2 GLU A 30 -14.372 1.349 -7.741 1.00 0.00 O ATOM 0 H GLU A 30 -11.290 -0.225 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.652 2.494 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.605 0.263 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.068 1.825 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.934 0.339 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.548 -0.340 -6.079 1.00 0.00 H new ATOM 460 N ASP A 31 -12.628 1.609 -1.476 1.00 0.00 N ATOM 461 CA ASP A 31 -13.081 2.137 -0.170 1.00 0.00 C ATOM 462 C ASP A 31 -12.030 3.113 0.384 1.00 0.00 C ATOM 463 O ASP A 31 -12.336 4.189 0.913 1.00 0.00 O ATOM 464 CB ASP A 31 -13.329 0.985 0.836 1.00 0.00 C ATOM 465 CG ASP A 31 -14.148 1.375 2.085 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.285 2.576 2.419 1.00 0.00 O ATOM 467 OD2 ASP A 31 -14.636 0.482 2.810 1.00 0.00 O ATOM 0 H ASP A 31 -12.518 0.595 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.023 2.666 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.846 0.176 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.365 0.592 1.160 1.00 0.00 H new ATOM 472 N VAL A 32 -10.758 2.772 0.183 1.00 0.00 N ATOM 473 CA VAL A 32 -9.632 3.544 0.692 1.00 0.00 C ATOM 474 C VAL A 32 -9.471 4.831 -0.113 1.00 0.00 C ATOM 475 O VAL A 32 -9.122 5.878 0.447 1.00 0.00 O ATOM 476 CB VAL A 32 -8.364 2.666 0.652 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.088 3.487 0.862 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.441 1.589 1.742 1.00 0.00 C ATOM 0 H VAL A 32 -10.480 1.943 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.809 3.837 1.727 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.320 2.210 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.221 2.827 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.005 4.238 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.128 3.980 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.543 0.972 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.518 2.065 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.317 0.963 1.574 1.00 0.00 H new ATOM 488 N ARG A 33 -9.725 4.779 -1.422 1.00 0.00 N ATOM 489 CA ARG A 33 -9.684 5.981 -2.242 1.00 0.00 C ATOM 490 C ARG A 33 -10.694 6.985 -1.715 1.00 0.00 C ATOM 491 O ARG A 33 -10.330 8.150 -1.560 1.00 0.00 O ATOM 492 CB ARG A 33 -9.878 5.616 -3.717 1.00 0.00 C ATOM 493 CG ARG A 33 -9.851 6.798 -4.696 1.00 0.00 C ATOM 494 CD ARG A 33 -9.275 6.340 -6.046 1.00 0.00 C ATOM 495 NE ARG A 33 -9.681 7.202 -7.168 1.00 0.00 N ATOM 496 CZ ARG A 33 -10.689 6.941 -8.013 1.00 0.00 C ATOM 497 NH1 ARG A 33 -11.519 5.926 -7.789 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.867 7.700 -9.084 1.00 0.00 N ATOM 0 H ARG A 33 -9.958 3.925 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.707 6.461 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.099 4.910 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.832 5.099 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.858 7.191 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.246 7.607 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.187 6.323 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.599 5.318 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.155 8.064 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.393 5.336 -6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.282 5.738 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.238 8.482 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.633 7.502 -9.727 1.00 0.00 H new ATOM 512 N ASP A 34 -11.915 6.556 -1.391 1.00 0.00 N ATOM 513 CA ASP A 34 -12.914 7.468 -0.845 1.00 0.00 C ATOM 514 C ASP A 34 -12.516 7.990 0.523 1.00 0.00 C ATOM 515 O ASP A 34 -12.711 9.176 0.809 1.00 0.00 O ATOM 516 CB ASP A 34 -14.284 6.821 -0.689 1.00 0.00 C ATOM 517 CG ASP A 34 -15.357 7.908 -0.740 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.611 8.459 -1.843 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.914 8.240 0.338 1.00 0.00 O ATOM 0 H ASP A 34 -12.231 5.592 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.969 8.280 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.449 6.092 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.340 6.281 0.256 1.00 0.00 H new ATOM 524 N GLU A 35 -11.982 7.115 1.386 1.00 0.00 N ATOM 525 CA GLU A 35 -11.735 7.526 2.758 1.00 0.00 C ATOM 526 C GLU A 35 -10.629 8.568 2.808 1.00 0.00 C ATOM 527 O GLU A 35 -10.635 9.465 3.656 1.00 0.00 O ATOM 528 CB GLU A 35 -11.442 6.366 3.734 1.00 0.00 C ATOM 529 CG GLU A 35 -10.031 5.782 3.817 1.00 0.00 C ATOM 530 CD GLU A 35 -9.997 4.591 4.791 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.797 4.841 6.012 1.00 0.00 O ATOM 532 OE2 GLU A 35 -10.276 3.450 4.356 1.00 0.00 O ATOM 0 H GLU A 35 -11.724 6.154 1.163 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.671 7.963 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.713 6.706 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.118 5.549 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.706 5.460 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.332 6.550 4.148 1.00 0.00 H new ATOM 539 N CYS A 36 -9.659 8.411 1.912 1.00 0.00 N ATOM 540 CA CYS A 36 -8.524 9.287 1.782 1.00 0.00 C ATOM 541 C CYS A 36 -8.914 10.575 1.042 1.00 0.00 C ATOM 542 O CYS A 36 -8.430 11.655 1.387 1.00 0.00 O ATOM 543 CB CYS A 36 -7.427 8.504 1.067 1.00 0.00 C ATOM 544 SG CYS A 36 -5.890 9.375 1.411 1.00 0.00 S ATOM 0 H CYS A 36 -9.651 7.643 1.241 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.157 9.608 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.382 7.477 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.617 8.457 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.692 10.281 0.500 1.00 0.00 H new ATOM 550 N SER A 37 -9.858 10.494 0.097 1.00 0.00 N ATOM 551 CA SER A 37 -10.450 11.629 -0.605 1.00 0.00 C ATOM 552 C SER A 37 -11.078 12.645 0.366 1.00 0.00 C ATOM 553 O SER A 37 -11.318 13.799 0.009 1.00 0.00 O ATOM 554 CB SER A 37 -11.460 11.086 -1.626 1.00 0.00 C ATOM 555 OG SER A 37 -12.084 12.063 -2.430 1.00 0.00 O ATOM 0 H SER A 37 -10.242 9.600 -0.208 1.00 0.00 H new ATOM 0 HA SER A 37 -9.673 12.183 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.949 10.375 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.231 10.532 -1.091 1.00 0.00 H new ATOM 0 HG SER A 37 -12.707 11.628 -3.049 1.00 0.00 H new ATOM 561 N LYS A 38 -11.299 12.299 1.637 1.00 0.00 N ATOM 562 CA LYS A 38 -11.700 13.271 2.653 1.00 0.00 C ATOM 563 C LYS A 38 -10.662 14.374 2.878 1.00 0.00 C ATOM 564 O LYS A 38 -11.014 15.415 3.435 1.00 0.00 O ATOM 565 CB LYS A 38 -11.966 12.544 3.970 1.00 0.00 C ATOM 566 CG LYS A 38 -13.166 11.604 3.825 1.00 0.00 C ATOM 567 CD LYS A 38 -13.427 10.879 5.147 1.00 0.00 C ATOM 568 CE LYS A 38 -14.912 10.817 5.495 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.482 12.169 5.668 1.00 0.00 N ATOM 0 H LYS A 38 -11.206 11.345 1.987 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.604 13.759 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.084 11.976 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.157 13.269 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.049 12.171 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.976 10.878 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.028 9.866 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.890 11.386 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.450 10.292 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.049 10.243 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.315 12.118 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.769 12.794 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.764 12.548 4.741 1.00 0.00 H new ATOM 583 N TYR A 39 -9.406 14.168 2.480 1.00 0.00 N ATOM 584 CA TYR A 39 -8.289 15.069 2.744 1.00 0.00 C ATOM 585 C TYR A 39 -7.739 15.711 1.471 1.00 0.00 C ATOM 586 O TYR A 39 -6.866 16.575 1.570 1.00 0.00 O ATOM 587 CB TYR A 39 -7.177 14.292 3.458 1.00 0.00 C ATOM 588 CG TYR A 39 -7.540 13.824 4.853 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.222 12.606 5.034 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.193 14.609 5.968 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.578 12.183 6.326 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.527 14.179 7.264 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.227 12.966 7.448 1.00 0.00 C ATOM 594 OH TYR A 39 -8.583 12.575 8.700 1.00 0.00 O ATOM 0 H TYR A 39 -9.132 13.342 1.948 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.657 15.879 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.911 13.424 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.290 14.923 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.472 11.996 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.669 15.543 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.120 11.259 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.248 14.776 8.119 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.259 13.231 9.352 1.00 0.00 H new ATOM 604 N GLY A 40 -8.206 15.310 0.289 1.00 0.00 N ATOM 605 CA GLY A 40 -7.573 15.656 -0.970 1.00 0.00 C ATOM 606 C GLY A 40 -8.121 14.768 -2.068 1.00 0.00 C ATOM 607 O GLY A 40 -9.263 14.323 -1.974 1.00 0.00 O ATOM 0 H GLY A 40 -9.040 14.732 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.759 16.704 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.493 15.533 -0.893 1.00 0.00 H new ATOM 611 N LEU A 41 -7.338 14.506 -3.108 1.00 0.00 N ATOM 612 CA LEU A 41 -7.707 13.631 -4.201 1.00 0.00 C ATOM 613 C LEU A 41 -6.587 12.635 -4.408 1.00 0.00 C ATOM 614 O LEU A 41 -5.498 12.975 -4.865 1.00 0.00 O ATOM 615 CB LEU A 41 -8.002 14.473 -5.439 1.00 0.00 C ATOM 616 CG LEU A 41 -8.774 13.796 -6.582 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.978 12.781 -7.392 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.039 13.107 -6.080 1.00 0.00 C ATOM 0 H LEU A 41 -6.407 14.909 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.614 13.068 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.566 15.351 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.053 14.831 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.014 14.627 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.612 12.361 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.119 13.273 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.633 11.982 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.556 12.641 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.772 12.344 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.694 13.843 -5.614 1.00 0.00 H new ATOM 630 N VAL A 42 -6.873 11.400 -4.027 1.00 0.00 N ATOM 631 CA VAL A 42 -6.018 10.252 -4.268 1.00 0.00 C ATOM 632 C VAL A 42 -6.104 9.920 -5.754 1.00 0.00 C ATOM 633 O VAL A 42 -7.165 9.590 -6.297 1.00 0.00 O ATOM 634 CB VAL A 42 -6.428 9.092 -3.359 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.832 7.748 -3.806 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.015 9.357 -1.912 1.00 0.00 C ATOM 0 H VAL A 42 -7.731 11.164 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.977 10.463 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.514 9.025 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.156 6.962 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.172 7.517 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.744 7.811 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.318 8.517 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.933 9.477 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.499 10.267 -1.556 1.00 0.00 H new ATOM 646 N LYS A 43 -4.963 10.068 -6.407 1.00 0.00 N ATOM 647 CA LYS A 43 -4.762 9.959 -7.831 1.00 0.00 C ATOM 648 C LYS A 43 -4.628 8.486 -8.213 1.00 0.00 C ATOM 649 O LYS A 43 -5.363 8.033 -9.086 1.00 0.00 O ATOM 650 CB LYS A 43 -3.517 10.796 -8.130 1.00 0.00 C ATOM 651 CG LYS A 43 -3.313 11.100 -9.611 1.00 0.00 C ATOM 652 CD LYS A 43 -2.031 11.949 -9.750 1.00 0.00 C ATOM 653 CE LYS A 43 -1.263 11.804 -11.066 1.00 0.00 C ATOM 654 NZ LYS A 43 -1.237 10.422 -11.580 1.00 0.00 N ATOM 0 H LYS A 43 -4.096 10.282 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.597 10.333 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.584 11.736 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.640 10.270 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.222 10.175 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.172 11.638 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.300 12.998 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.359 11.691 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.715 12.454 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.239 12.149 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.353 10.263 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.293 9.755 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.047 10.272 -12.215 1.00 0.00 H new ATOM 668 N SER A 44 -3.759 7.726 -7.545 1.00 0.00 N ATOM 669 CA SER A 44 -3.654 6.276 -7.697 1.00 0.00 C ATOM 670 C SER A 44 -3.085 5.649 -6.418 1.00 0.00 C ATOM 671 O SER A 44 -2.678 6.366 -5.502 1.00 0.00 O ATOM 672 CB SER A 44 -2.840 5.943 -8.962 1.00 0.00 C ATOM 673 OG SER A 44 -1.514 6.441 -8.922 1.00 0.00 O ATOM 0 H SER A 44 -3.096 8.109 -6.871 1.00 0.00 H new ATOM 0 HA SER A 44 -4.642 5.838 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.811 4.861 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.350 6.356 -9.833 1.00 0.00 H new ATOM 0 HG SER A 44 -1.523 7.409 -9.074 1.00 0.00 H new ATOM 679 N ILE A 45 -3.117 4.316 -6.309 1.00 0.00 N ATOM 680 CA ILE A 45 -2.625 3.571 -5.156 1.00 0.00 C ATOM 681 C ILE A 45 -1.952 2.320 -5.703 1.00 0.00 C ATOM 682 O ILE A 45 -2.605 1.449 -6.281 1.00 0.00 O ATOM 683 CB ILE A 45 -3.733 3.158 -4.169 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.513 4.364 -3.656 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.079 2.427 -2.987 1.00 0.00 C ATOM 686 CD1 ILE A 45 -5.782 3.978 -2.878 1.00 0.00 C ATOM 0 H ILE A 45 -3.496 3.715 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.946 4.211 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.439 2.509 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.866 4.959 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.790 4.995 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.848 2.126 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.555 1.543 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.370 3.093 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.291 4.881 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.447 3.408 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.509 3.371 -2.015 1.00 0.00 H new ATOM 698 N GLU A 46 -0.659 2.235 -5.475 1.00 0.00 N ATOM 699 CA GLU A 46 0.145 1.039 -5.732 1.00 0.00 C ATOM 700 C GLU A 46 0.083 0.087 -4.534 1.00 0.00 C ATOM 701 O GLU A 46 0.310 0.497 -3.391 1.00 0.00 O ATOM 702 CB GLU A 46 1.616 1.377 -6.042 1.00 0.00 C ATOM 703 CG GLU A 46 1.952 1.509 -7.538 1.00 0.00 C ATOM 704 CD GLU A 46 1.989 0.147 -8.251 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.991 -0.612 -8.225 1.00 0.00 O ATOM 706 OE2 GLU A 46 3.043 -0.259 -8.787 1.00 0.00 O ATOM 0 H GLU A 46 -0.115 3.010 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.280 0.556 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.871 2.312 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.250 0.603 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.212 2.148 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.918 2.001 -7.649 1.00 0.00 H new ATOM 713 N ILE A 47 -0.178 -1.199 -4.799 1.00 0.00 N ATOM 714 CA ILE A 47 -0.212 -2.288 -3.821 1.00 0.00 C ATOM 715 C ILE A 47 0.535 -3.489 -4.430 1.00 0.00 C ATOM 716 O ILE A 47 -0.070 -4.292 -5.141 1.00 0.00 O ATOM 717 CB ILE A 47 -1.647 -2.646 -3.355 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.486 -1.393 -3.019 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.569 -3.642 -2.171 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.854 -1.688 -2.401 1.00 0.00 C ATOM 0 H ILE A 47 -0.380 -1.521 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 47 0.288 -1.968 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.171 -3.129 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.919 -0.766 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.631 -0.814 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.577 -3.895 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.053 -4.548 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.022 -3.185 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.372 -0.750 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.445 -2.286 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.721 -2.238 -1.469 1.00 0.00 H new ATOM 732 N PRO A 48 1.865 -3.599 -4.285 1.00 0.00 N ATOM 733 CA PRO A 48 2.593 -4.783 -4.736 1.00 0.00 C ATOM 734 C PRO A 48 2.122 -6.003 -3.932 1.00 0.00 C ATOM 735 O PRO A 48 1.654 -5.858 -2.798 1.00 0.00 O ATOM 736 CB PRO A 48 4.073 -4.469 -4.506 1.00 0.00 C ATOM 737 CG PRO A 48 4.054 -3.465 -3.359 1.00 0.00 C ATOM 738 CD PRO A 48 2.721 -2.735 -3.497 1.00 0.00 C ATOM 0 HA PRO A 48 2.420 -5.019 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.637 -5.365 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.537 -4.049 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.132 -3.966 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.893 -2.772 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.282 -2.539 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.855 -1.770 -3.985 1.00 0.00 H new ATOM 746 N ARG A 49 2.244 -7.213 -4.491 1.00 0.00 N ATOM 747 CA ARG A 49 1.771 -8.460 -3.872 1.00 0.00 C ATOM 748 C ARG A 49 2.728 -9.624 -4.149 1.00 0.00 C ATOM 749 O ARG A 49 3.475 -9.546 -5.132 1.00 0.00 O ATOM 750 CB ARG A 49 0.324 -8.783 -4.323 1.00 0.00 C ATOM 751 CG ARG A 49 0.061 -8.725 -5.839 1.00 0.00 C ATOM 752 CD ARG A 49 -0.815 -7.517 -6.205 1.00 0.00 C ATOM 753 NE ARG A 49 -0.637 -7.084 -7.598 1.00 0.00 N ATOM 754 CZ ARG A 49 -0.999 -7.750 -8.700 1.00 0.00 C ATOM 755 NH1 ARG A 49 -1.580 -8.944 -8.654 1.00 0.00 N ATOM 756 NH2 ARG A 49 -0.758 -7.196 -9.879 1.00 0.00 N ATOM 0 H ARG A 49 2.681 -7.357 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 49 1.756 -8.315 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.068 -9.781 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.353 -8.086 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.009 -8.665 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.429 -9.644 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.862 -7.770 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.578 -6.687 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.189 -6.178 -7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.766 -9.386 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.840 -9.418 -9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.306 -6.283 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.024 -7.683 -10.735 1.00 0.00 H new ATOM 770 N PRO A 50 2.748 -10.671 -3.297 1.00 0.00 N ATOM 771 CA PRO A 50 3.572 -11.858 -3.485 1.00 0.00 C ATOM 772 C PRO A 50 3.173 -12.579 -4.763 1.00 0.00 C ATOM 773 O PRO A 50 1.995 -12.820 -5.038 1.00 0.00 O ATOM 774 CB PRO A 50 3.390 -12.726 -2.236 1.00 0.00 C ATOM 775 CG PRO A 50 2.019 -12.314 -1.723 1.00 0.00 C ATOM 776 CD PRO A 50 1.972 -10.828 -2.074 1.00 0.00 C ATOM 0 HA PRO A 50 4.626 -11.606 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.428 -13.789 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.169 -12.538 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.219 -12.872 -2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.919 -12.482 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.944 -10.496 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.390 -10.225 -1.268 1.00 0.00 H new ATOM 784 N VAL A 51 4.189 -12.919 -5.547 1.00 0.00 N ATOM 785 CA VAL A 51 4.032 -13.800 -6.698 1.00 0.00 C ATOM 786 C VAL A 51 4.034 -15.229 -6.169 1.00 0.00 C ATOM 787 O VAL A 51 5.082 -15.738 -5.796 1.00 0.00 O ATOM 788 CB VAL A 51 5.159 -13.588 -7.732 1.00 0.00 C ATOM 789 CG1 VAL A 51 4.856 -14.355 -9.026 1.00 0.00 C ATOM 790 CG2 VAL A 51 5.350 -12.096 -8.051 1.00 0.00 C ATOM 0 H VAL A 51 5.144 -12.592 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 51 3.099 -13.582 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 51 6.081 -13.971 -7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.662 -14.193 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.774 -15.420 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.917 -13.998 -9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.150 -11.980 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.424 -11.690 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.611 -11.559 -7.139 1.00 0.00 H new ATOM 800 N ASP A 52 2.875 -15.875 -6.103 1.00 0.00 N ATOM 801 CA ASP A 52 2.742 -17.308 -5.813 1.00 0.00 C ATOM 802 C ASP A 52 3.357 -17.733 -4.471 1.00 0.00 C ATOM 803 O ASP A 52 3.688 -18.898 -4.245 1.00 0.00 O ATOM 804 CB ASP A 52 3.285 -18.083 -7.023 1.00 0.00 C ATOM 805 CG ASP A 52 2.694 -19.480 -7.168 1.00 0.00 C ATOM 806 OD1 ASP A 52 1.517 -19.693 -6.799 1.00 0.00 O ATOM 807 OD2 ASP A 52 3.359 -20.352 -7.775 1.00 0.00 O ATOM 0 H ASP A 52 1.979 -15.411 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 52 1.689 -17.551 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.079 -17.515 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.369 -18.163 -6.936 1.00 0.00 H new ATOM 812 N GLY A 53 3.446 -16.747 -3.574 1.00 0.00 N ATOM 813 CA GLY A 53 3.972 -16.809 -2.217 1.00 0.00 C ATOM 814 C GLY A 53 5.436 -16.401 -2.065 1.00 0.00 C ATOM 815 O GLY A 53 5.970 -16.472 -0.956 1.00 0.00 O ATOM 0 H GLY A 53 3.123 -15.807 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.365 -16.166 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.855 -17.827 -1.846 1.00 0.00 H new ATOM 819 N VAL A 54 6.090 -15.930 -3.126 1.00 0.00 N ATOM 820 CA VAL A 54 7.443 -15.397 -3.027 1.00 0.00 C ATOM 821 C VAL A 54 7.481 -14.101 -2.206 1.00 0.00 C ATOM 822 O VAL A 54 6.514 -13.332 -2.170 1.00 0.00 O ATOM 823 CB VAL A 54 8.019 -15.207 -4.441 1.00 0.00 C ATOM 824 CG1 VAL A 54 7.546 -13.895 -5.046 1.00 0.00 C ATOM 825 CG2 VAL A 54 9.547 -15.297 -4.453 1.00 0.00 C ATOM 0 H VAL A 54 5.700 -15.908 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 54 8.070 -16.110 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 54 7.644 -16.024 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.966 -13.783 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.458 -13.894 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.875 -13.066 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.912 -15.157 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.962 -14.522 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.857 -16.276 -4.088 1.00 0.00 H new ATOM 835 N GLU A 55 8.669 -13.790 -1.693 1.00 0.00 N ATOM 836 CA GLU A 55 9.027 -12.445 -1.273 1.00 0.00 C ATOM 837 C GLU A 55 9.217 -11.560 -2.520 1.00 0.00 C ATOM 838 O GLU A 55 9.914 -11.915 -3.471 1.00 0.00 O ATOM 839 CB GLU A 55 10.284 -12.475 -0.379 1.00 0.00 C ATOM 840 CG GLU A 55 11.578 -12.577 -1.197 1.00 0.00 C ATOM 841 CD GLU A 55 12.788 -13.149 -0.475 1.00 0.00 C ATOM 842 OE1 GLU A 55 13.036 -12.834 0.706 1.00 0.00 O ATOM 843 OE2 GLU A 55 13.502 -13.961 -1.120 1.00 0.00 O ATOM 0 H GLU A 55 9.414 -14.473 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 55 8.225 -12.016 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.314 -11.573 0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.221 -13.322 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.380 -13.193 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.834 -11.581 -1.558 1.00 0.00 H new ATOM 850 N VAL A 56 8.626 -10.377 -2.516 1.00 0.00 N ATOM 851 CA VAL A 56 8.893 -9.308 -3.468 1.00 0.00 C ATOM 852 C VAL A 56 9.490 -8.078 -2.772 1.00 0.00 C ATOM 853 O VAL A 56 9.315 -7.895 -1.557 1.00 0.00 O ATOM 854 CB VAL A 56 7.603 -8.954 -4.235 1.00 0.00 C ATOM 855 CG1 VAL A 56 7.565 -9.679 -5.590 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.304 -9.250 -3.489 1.00 0.00 C ATOM 0 H VAL A 56 7.920 -10.124 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 56 9.635 -9.658 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 56 7.650 -7.872 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.648 -9.417 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.425 -9.378 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.595 -10.756 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.455 -8.967 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.249 -10.315 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.280 -8.680 -2.560 1.00 0.00 H new ATOM 866 N PRO A 57 10.137 -7.176 -3.530 1.00 0.00 N ATOM 867 CA PRO A 57 10.548 -5.879 -3.024 1.00 0.00 C ATOM 868 C PRO A 57 9.299 -5.029 -2.805 1.00 0.00 C ATOM 869 O PRO A 57 8.392 -5.014 -3.649 1.00 0.00 O ATOM 870 CB PRO A 57 11.455 -5.288 -4.108 1.00 0.00 C ATOM 871 CG PRO A 57 10.904 -5.893 -5.391 1.00 0.00 C ATOM 872 CD PRO A 57 10.438 -7.282 -4.951 1.00 0.00 C ATOM 0 HA PRO A 57 11.079 -5.930 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.407 -4.199 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.499 -5.559 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.082 -5.302 -5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.666 -5.951 -6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.558 -7.594 -5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.212 -8.028 -5.131 1.00 0.00 H new ATOM 880 N GLY A 58 9.271 -4.313 -1.686 1.00 0.00 N ATOM 881 CA GLY A 58 8.229 -3.346 -1.408 1.00 0.00 C ATOM 882 C GLY A 58 6.964 -3.986 -0.855 1.00 0.00 C ATOM 883 O GLY A 58 5.951 -3.308 -0.715 1.00 0.00 O ATOM 0 H GLY A 58 9.973 -4.391 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.602 -2.612 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.987 -2.806 -2.323 1.00 0.00 H new ATOM 887 N CYS A 59 7.010 -5.275 -0.517 1.00 0.00 N ATOM 888 CA CYS A 59 5.859 -5.987 -0.005 1.00 0.00 C ATOM 889 C CYS A 59 5.517 -5.480 1.402 1.00 0.00 C ATOM 890 O CYS A 59 6.409 -5.190 2.212 1.00 0.00 O ATOM 891 CB CYS A 59 6.183 -7.483 -0.009 1.00 0.00 C ATOM 892 SG CYS A 59 4.648 -8.452 -0.097 1.00 0.00 S ATOM 0 H CYS A 59 7.851 -5.847 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 59 4.984 -5.814 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.823 -7.722 -0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.737 -7.746 0.892 1.00 0.00 H new ATOM 0 HG CYS A 59 4.935 -9.720 -0.102 1.00 0.00 H new ATOM 898 N GLY A 60 4.216 -5.361 1.667 1.00 0.00 N ATOM 899 CA GLY A 60 3.631 -4.833 2.891 1.00 0.00 C ATOM 900 C GLY A 60 3.250 -3.361 2.752 1.00 0.00 C ATOM 901 O GLY A 60 2.272 -2.910 3.347 1.00 0.00 O ATOM 0 H GLY A 60 3.506 -5.648 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.746 -5.414 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.340 -4.949 3.711 1.00 0.00 H new ATOM 905 N LYS A 61 4.007 -2.602 1.956 1.00 0.00 N ATOM 906 CA LYS A 61 3.810 -1.167 1.836 1.00 0.00 C ATOM 907 C LYS A 61 2.736 -0.933 0.796 1.00 0.00 C ATOM 908 O LYS A 61 2.562 -1.730 -0.135 1.00 0.00 O ATOM 909 CB LYS A 61 5.087 -0.405 1.437 1.00 0.00 C ATOM 910 CG LYS A 61 6.320 -0.681 2.312 1.00 0.00 C ATOM 911 CD LYS A 61 7.085 -1.891 1.771 1.00 0.00 C ATOM 912 CE LYS A 61 8.353 -2.202 2.549 1.00 0.00 C ATOM 913 NZ LYS A 61 8.852 -3.564 2.264 1.00 0.00 N ATOM 0 H LYS A 61 4.767 -2.968 1.383 1.00 0.00 H new ATOM 0 HA LYS A 61 3.521 -0.784 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.332 -0.656 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.875 0.664 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.970 0.194 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.012 -0.865 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.432 -2.763 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.343 -1.711 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.123 -1.473 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.158 -2.102 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.501 -3.861 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.050 -4.225 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.356 -3.566 1.354 1.00 0.00 H new ATOM 927 N ILE A 62 2.048 0.183 0.955 1.00 0.00 N ATOM 928 CA ILE A 62 1.116 0.750 0.008 1.00 0.00 C ATOM 929 C ILE A 62 1.651 2.159 -0.245 1.00 0.00 C ATOM 930 O ILE A 62 2.234 2.789 0.646 1.00 0.00 O ATOM 931 CB ILE A 62 -0.314 0.700 0.593 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.936 -0.709 0.556 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.272 1.609 -0.179 1.00 0.00 C ATOM 934 CD1 ILE A 62 -0.319 -1.766 1.464 1.00 0.00 C ATOM 0 H ILE A 62 2.133 0.748 1.800 1.00 0.00 H new ATOM 0 HA ILE A 62 1.040 0.210 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.195 1.028 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.992 -0.619 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.886 -1.074 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.267 1.547 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.917 2.638 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.316 1.290 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.851 -2.709 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.730 -1.904 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.393 -1.442 2.502 1.00 0.00 H new ATOM 946 N PHE A 63 1.475 2.651 -1.464 1.00 0.00 N ATOM 947 CA PHE A 63 1.965 3.947 -1.901 1.00 0.00 C ATOM 948 C PHE A 63 0.767 4.633 -2.550 1.00 0.00 C ATOM 949 O PHE A 63 0.166 4.063 -3.458 1.00 0.00 O ATOM 950 CB PHE A 63 3.145 3.768 -2.874 1.00 0.00 C ATOM 951 CG PHE A 63 4.166 2.696 -2.521 1.00 0.00 C ATOM 952 CD1 PHE A 63 3.863 1.345 -2.784 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.431 3.032 -1.999 1.00 0.00 C ATOM 954 CE1 PHE A 63 4.796 0.340 -2.496 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.385 2.021 -1.762 1.00 0.00 C ATOM 956 CZ PHE A 63 6.075 0.672 -2.018 1.00 0.00 C ATOM 0 H PHE A 63 0.974 2.145 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 63 2.351 4.552 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.741 3.541 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.667 4.721 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.906 1.083 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.670 4.062 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.530 -0.697 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.361 2.284 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.812 -0.099 -1.849 1.00 0.00 H new ATOM 966 N VAL A 64 0.354 5.791 -2.046 1.00 0.00 N ATOM 967 CA VAL A 64 -0.890 6.465 -2.403 1.00 0.00 C ATOM 968 C VAL A 64 -0.470 7.805 -2.998 1.00 0.00 C ATOM 969 O VAL A 64 0.068 8.666 -2.300 1.00 0.00 O ATOM 970 CB VAL A 64 -1.783 6.574 -1.150 1.00 0.00 C ATOM 971 CG1 VAL A 64 -3.069 7.393 -1.297 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.165 5.218 -0.566 1.00 0.00 C ATOM 0 H VAL A 64 0.896 6.305 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.493 5.929 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.125 7.121 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.609 7.395 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.819 8.417 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.696 6.951 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.793 5.364 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.713 4.642 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.262 4.677 -0.281 1.00 0.00 H new ATOM 982 N GLU A 65 -0.603 7.923 -4.312 1.00 0.00 N ATOM 983 CA GLU A 65 -0.306 9.117 -5.084 1.00 0.00 C ATOM 984 C GLU A 65 -1.485 10.083 -4.929 1.00 0.00 C ATOM 985 O GLU A 65 -2.645 9.651 -4.931 1.00 0.00 O ATOM 986 CB GLU A 65 -0.146 8.659 -6.538 1.00 0.00 C ATOM 987 CG GLU A 65 0.523 9.659 -7.488 1.00 0.00 C ATOM 988 CD GLU A 65 0.280 9.318 -8.963 1.00 0.00 C ATOM 989 OE1 GLU A 65 -0.860 8.929 -9.325 1.00 0.00 O ATOM 990 OE2 GLU A 65 1.194 9.521 -9.794 1.00 0.00 O ATOM 0 H GLU A 65 -0.936 7.153 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 65 0.599 9.627 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.435 7.737 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.133 8.418 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.144 10.660 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.596 9.678 -7.294 1.00 0.00 H new ATOM 997 N PHE A 66 -1.212 11.383 -4.850 1.00 0.00 N ATOM 998 CA PHE A 66 -2.225 12.435 -4.735 1.00 0.00 C ATOM 999 C PHE A 66 -2.124 13.440 -5.880 1.00 0.00 C ATOM 1000 O PHE A 66 -1.250 13.324 -6.741 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.106 13.137 -3.385 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.657 12.407 -2.186 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.868 11.437 -1.550 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.916 12.764 -1.650 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.293 10.887 -0.335 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.322 12.228 -0.415 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.489 11.315 0.255 1.00 0.00 C ATOM 0 H PHE A 66 -0.259 11.745 -4.864 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.206 11.965 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.052 13.343 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.611 14.100 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.938 11.116 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.562 13.444 -2.186 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.696 10.129 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.269 12.516 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.772 10.942 1.228 1.00 0.00 H new ATOM 1017 N THR A 67 -3.041 14.411 -5.901 1.00 0.00 N ATOM 1018 CA THR A 67 -2.989 15.500 -6.859 1.00 0.00 C ATOM 1019 C THR A 67 -1.866 16.492 -6.564 1.00 0.00 C ATOM 1020 O THR A 67 -1.411 17.152 -7.506 1.00 0.00 O ATOM 1021 CB THR A 67 -4.347 16.205 -6.988 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.943 16.636 -5.773 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.335 15.288 -7.696 1.00 0.00 C ATOM 0 H THR A 67 -3.831 14.458 -5.257 1.00 0.00 H new ATOM 0 HA THR A 67 -2.757 15.050 -7.824 1.00 0.00 H new ATOM 0 HB THR A 67 -4.127 17.110 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.527 16.167 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.298 15.791 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.958 15.045 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.457 14.371 -7.120 1.00 0.00 H new ATOM 1031 N SER A 68 -1.420 16.645 -5.312 1.00 0.00 N ATOM 1032 CA SER A 68 -0.355 17.579 -4.984 1.00 0.00 C ATOM 1033 C SER A 68 0.422 17.181 -3.728 1.00 0.00 C ATOM 1034 O SER A 68 -0.071 16.551 -2.798 1.00 0.00 O ATOM 1035 CB SER A 68 -0.977 18.965 -4.781 1.00 0.00 C ATOM 1036 OG SER A 68 -1.535 19.451 -5.985 1.00 0.00 O ATOM 0 H SER A 68 -1.786 16.129 -4.512 1.00 0.00 H new ATOM 0 HA SER A 68 0.358 17.577 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.749 18.912 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.217 19.659 -4.422 1.00 0.00 H new ATOM 0 HG SER A 68 -1.429 18.778 -6.690 1.00 0.00 H new ATOM 1042 N VAL A 69 1.634 17.720 -3.614 1.00 0.00 N ATOM 1043 CA VAL A 69 2.464 17.616 -2.413 1.00 0.00 C ATOM 1044 C VAL A 69 1.797 18.310 -1.206 1.00 0.00 C ATOM 1045 O VAL A 69 2.219 18.126 -0.067 1.00 0.00 O ATOM 1046 CB VAL A 69 3.872 18.169 -2.722 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.869 17.913 -1.581 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.442 17.532 -4.001 1.00 0.00 C ATOM 0 H VAL A 69 2.075 18.250 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 69 2.568 16.569 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 69 3.749 19.245 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.843 18.322 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.512 18.395 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.960 16.840 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.434 17.937 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.510 16.452 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.786 17.755 -4.842 1.00 0.00 H new ATOM 1058 N PHE A 70 0.745 19.107 -1.420 1.00 0.00 N ATOM 1059 CA PHE A 70 0.025 19.801 -0.363 1.00 0.00 C ATOM 1060 C PHE A 70 -1.219 19.053 0.113 1.00 0.00 C ATOM 1061 O PHE A 70 -1.660 19.345 1.224 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.359 21.210 -0.836 1.00 0.00 C ATOM 1063 CG PHE A 70 0.634 22.284 -0.432 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.848 22.436 -1.129 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.340 23.136 0.648 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.741 23.461 -0.771 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.241 24.150 1.015 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.437 24.320 0.299 1.00 0.00 C ATOM 0 H PHE A 70 0.369 19.287 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 70 0.699 19.859 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.453 21.205 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.339 21.464 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.093 21.765 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.581 23.010 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.663 23.589 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.014 24.799 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.122 25.110 0.570 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.805 18.130 -0.662 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.016 17.413 -0.238 1.00 0.00 C ATOM 1080 C ASP A 71 -2.666 16.071 0.391 1.00 0.00 C ATOM 1081 O ASP A 71 -3.295 15.676 1.379 1.00 0.00 O ATOM 1082 CB ASP A 71 -4.099 17.350 -1.331 1.00 0.00 C ATOM 1083 CG ASP A 71 -3.923 16.406 -2.498 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -2.802 16.348 -3.003 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.938 15.898 -3.033 1.00 0.00 O ATOM 0 H ASP A 71 -1.461 17.863 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.488 17.998 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.040 17.096 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.212 18.355 -1.738 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.561 15.455 -0.038 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.991 14.310 0.655 1.00 0.00 C ATOM 1092 C CYS A 72 -0.601 14.693 2.092 1.00 0.00 C ATOM 1093 O CYS A 72 -0.735 13.895 3.025 1.00 0.00 O ATOM 1094 CB CYS A 72 0.219 13.793 -0.134 1.00 0.00 C ATOM 1095 SG CYS A 72 1.553 15.024 -0.172 1.00 0.00 S ATOM 0 H CYS A 72 -1.044 15.738 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.732 13.513 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.584 12.871 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.084 13.550 -1.152 1.00 0.00 H new ATOM 0 HG CYS A 72 2.679 14.435 -0.446 1.00 0.00 H new ATOM 1101 N GLN A 73 -0.136 15.933 2.274 1.00 0.00 N ATOM 1102 CA GLN A 73 0.410 16.468 3.512 1.00 0.00 C ATOM 1103 C GLN A 73 -0.644 16.579 4.614 1.00 0.00 C ATOM 1104 O GLN A 73 -0.301 16.609 5.797 1.00 0.00 O ATOM 1105 CB GLN A 73 1.025 17.853 3.221 1.00 0.00 C ATOM 1106 CG GLN A 73 2.484 17.888 3.669 1.00 0.00 C ATOM 1107 CD GLN A 73 3.188 19.187 3.312 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.444 20.024 4.171 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.521 19.388 2.053 1.00 0.00 N ATOM 0 H GLN A 73 -0.133 16.620 1.520 1.00 0.00 H new ATOM 0 HA GLN A 73 1.172 15.779 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.959 18.071 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.459 18.626 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.530 17.742 4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.018 17.055 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.302 18.683 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.998 20.248 1.783 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.924 16.674 4.245 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.022 16.824 5.187 1.00 0.00 C ATOM 1120 C LYS A 74 -3.457 15.433 5.628 1.00 0.00 C ATOM 1121 O LYS A 74 -3.601 15.181 6.826 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.158 17.639 4.541 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.612 18.821 3.714 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.558 20.025 3.605 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.014 20.952 2.505 1.00 0.00 C ATOM 1126 NZ LYS A 74 -4.686 22.267 2.457 1.00 0.00 N ATOM 0 H LYS A 74 -2.224 16.648 3.271 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.716 17.380 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.753 16.989 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.824 18.015 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.674 19.154 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.381 18.467 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.568 19.696 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.615 20.554 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.946 21.104 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.125 20.460 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.272 22.841 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.701 22.132 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.559 22.755 3.366 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.607 14.523 4.659 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.914 13.125 4.902 1.00 0.00 C ATOM 1142 C ALA A 75 -2.873 12.504 5.827 1.00 0.00 C ATOM 1143 O ALA A 75 -3.247 11.899 6.828 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.975 12.366 3.572 1.00 0.00 C ATOM 0 H ALA A 75 -3.515 14.750 3.669 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.886 13.056 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.206 11.318 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.750 12.800 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.012 12.440 3.066 1.00 0.00 H new ATOM 1150 N MET A 76 -1.579 12.656 5.512 1.00 0.00 N ATOM 1151 CA MET A 76 -0.528 11.901 6.188 1.00 0.00 C ATOM 1152 C MET A 76 -0.553 12.121 7.696 1.00 0.00 C ATOM 1153 O MET A 76 -0.385 11.175 8.459 1.00 0.00 O ATOM 1154 CB MET A 76 0.846 12.185 5.563 1.00 0.00 C ATOM 1155 CG MET A 76 1.612 13.434 6.016 1.00 0.00 C ATOM 1156 SD MET A 76 2.482 13.283 7.603 1.00 0.00 S ATOM 1157 CE MET A 76 3.803 12.093 7.241 1.00 0.00 C ATOM 0 H MET A 76 -1.241 13.296 4.793 1.00 0.00 H new ATOM 0 HA MET A 76 -0.726 10.840 6.038 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.481 11.320 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.712 12.252 4.483 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.339 13.693 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.910 14.265 6.084 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.510 12.071 8.070 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.372 11.101 7.105 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.321 12.391 6.330 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.809 13.350 8.138 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.913 13.643 9.554 1.00 0.00 C ATOM 1169 C GLN A 77 -2.230 13.134 10.122 1.00 0.00 C ATOM 1170 O GLN A 77 -2.240 12.562 11.211 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.863 15.166 9.763 1.00 0.00 C ATOM 1172 CG GLN A 77 0.510 15.795 9.542 1.00 0.00 C ATOM 1173 CD GLN A 77 1.503 15.389 10.623 1.00 0.00 C ATOM 1174 OE1 GLN A 77 1.199 15.406 11.811 1.00 0.00 O ATOM 1175 NE2 GLN A 77 2.694 14.986 10.241 1.00 0.00 N ATOM 0 H GLN A 77 -0.948 14.157 7.529 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.085 13.149 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.576 15.636 9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.192 15.391 10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.893 15.496 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.414 16.881 9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.936 14.976 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.377 14.683 10.935 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.345 13.386 9.428 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.680 13.059 9.919 1.00 0.00 C ATOM 1186 C GLY A 78 -4.870 11.563 10.132 1.00 0.00 C ATOM 1187 O GLY A 78 -5.751 11.158 10.889 1.00 0.00 O ATOM 0 H GLY A 78 -3.343 13.824 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.857 13.582 10.859 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.424 13.419 9.208 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.046 10.753 9.466 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.261 9.336 9.267 1.00 0.00 C ATOM 1193 C LEU A 79 -3.016 8.516 9.616 1.00 0.00 C ATOM 1194 O LEU A 79 -2.930 7.353 9.240 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.719 9.119 7.815 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.048 9.808 7.434 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.341 9.558 5.956 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.189 9.238 8.270 1.00 0.00 C ATOM 0 H LEU A 79 -3.182 11.087 9.039 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.038 8.982 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.937 9.479 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.820 8.048 7.639 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.961 10.878 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.278 10.043 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.532 9.967 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.422 8.486 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.122 9.729 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.275 8.167 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.986 9.410 9.327 1.00 0.00 H new ATOM 1210 N THR A 80 -2.055 9.046 10.381 1.00 0.00 N ATOM 1211 CA THR A 80 -0.816 8.335 10.749 1.00 0.00 C ATOM 1212 C THR A 80 -1.032 7.161 11.756 1.00 0.00 C ATOM 1213 O THR A 80 -0.138 6.785 12.517 1.00 0.00 O ATOM 1214 CB THR A 80 0.208 9.369 11.251 1.00 0.00 C ATOM 1215 OG1 THR A 80 1.531 8.869 11.325 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.189 9.862 12.626 1.00 0.00 C ATOM 0 H THR A 80 -2.112 9.988 10.768 1.00 0.00 H new ATOM 0 HA THR A 80 -0.430 7.839 9.859 1.00 0.00 H new ATOM 0 HB THR A 80 0.200 10.176 10.518 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.955 8.935 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.540 10.593 12.975 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.174 10.327 12.576 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.220 9.021 13.319 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.240 6.609 11.802 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.730 5.702 12.837 1.00 0.00 C ATOM 1226 C GLY A 81 -4.123 5.120 12.583 1.00 0.00 C ATOM 1227 O GLY A 81 -4.630 4.431 13.476 1.00 0.00 O ATOM 0 H GLY A 81 -2.940 6.791 11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.023 4.879 12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.743 6.234 13.788 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.770 5.403 11.439 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.078 4.818 11.095 1.00 0.00 C ATOM 1233 C ARG A 82 -5.983 3.310 10.849 1.00 0.00 C ATOM 1234 O ARG A 82 -4.956 2.697 11.141 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.781 5.588 9.961 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.992 6.338 10.561 1.00 0.00 C ATOM 1237 CD ARG A 82 -9.101 6.570 9.543 1.00 0.00 C ATOM 1238 NE ARG A 82 -10.451 6.508 10.122 1.00 0.00 N ATOM 1239 CZ ARG A 82 -11.019 7.358 10.983 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.359 8.430 11.416 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -12.251 7.142 11.419 1.00 0.00 N ATOM 0 H ARG A 82 -4.404 6.039 10.731 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.725 4.934 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.091 6.292 9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.109 4.900 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.388 5.767 11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.660 7.298 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.958 7.545 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.019 5.825 8.752 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.026 5.718 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.409 8.610 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.803 9.071 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.770 6.325 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.681 7.793 12.076 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.075 2.681 10.403 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.203 1.227 10.358 1.00 0.00 C ATOM 1257 C LYS A 83 -7.764 0.807 9.007 1.00 0.00 C ATOM 1258 O LYS A 83 -8.956 0.525 8.872 1.00 0.00 O ATOM 1259 CB LYS A 83 -8.067 0.686 11.514 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.640 1.200 12.893 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.318 0.382 13.994 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.202 1.123 15.329 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.513 1.603 15.802 1.00 0.00 N ATOM 0 H LYS A 83 -7.900 3.174 10.061 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.211 0.793 10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.107 0.962 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.021 -0.403 11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.557 1.133 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.906 2.252 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.367 0.219 13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.852 -0.601 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.766 0.460 16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.523 1.969 15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.395 2.100 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.918 2.255 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.153 0.793 15.932 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.913 0.721 7.988 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.334 0.452 6.596 1.00 0.00 C ATOM 1279 C PHE A 84 -7.730 -1.021 6.355 1.00 0.00 C ATOM 1280 O PHE A 84 -7.857 -1.465 5.215 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.201 0.883 5.641 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.124 2.345 5.224 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.547 3.361 6.097 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.579 2.705 3.969 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.433 4.704 5.729 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.414 4.062 3.621 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.826 5.048 4.518 1.00 0.00 C ATOM 0 H PHE A 84 -5.905 0.835 8.094 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.234 1.034 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.253 0.621 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.284 0.283 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.963 3.102 7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.287 1.934 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.814 5.477 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.975 4.334 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.674 6.089 4.274 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.928 -1.783 7.426 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.460 -3.133 7.468 1.00 0.00 C ATOM 1299 C ALA A 85 -8.795 -3.392 8.936 1.00 0.00 C ATOM 1300 O ALA A 85 -9.910 -3.120 9.393 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.461 -4.156 6.891 1.00 0.00 C ATOM 0 H ALA A 85 -7.701 -1.441 8.360 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.348 -3.241 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.894 -5.155 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.242 -3.905 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.539 -4.132 7.472 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.804 -3.826 9.721 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.947 -4.032 11.161 1.00 0.00 C ATOM 1309 C ASN A 86 -6.713 -3.625 11.967 1.00 0.00 C ATOM 1310 O ASN A 86 -6.762 -3.692 13.192 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.270 -5.510 11.431 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.509 -5.657 12.298 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.588 -5.135 13.408 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.499 -6.386 11.810 1.00 0.00 N ATOM 0 H ASN A 86 -6.872 -4.046 9.369 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.759 -3.384 11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.422 -6.029 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.421 -5.986 11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.349 -6.524 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.413 -6.810 10.886 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.601 -3.235 11.330 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.356 -2.942 12.052 1.00 0.00 C ATOM 1323 C ARG A 87 -4.256 -1.439 12.259 1.00 0.00 C ATOM 1324 O ARG A 87 -5.107 -0.696 11.781 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.123 -3.494 11.313 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.306 -4.958 10.876 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.111 -5.904 11.100 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.601 -5.944 12.485 1.00 0.00 N ATOM 1329 CZ ARG A 87 -2.294 -6.108 13.623 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -3.589 -6.402 13.625 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -1.688 -5.937 14.788 1.00 0.00 N ATOM 0 H ARG A 87 -5.538 -3.115 10.319 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.378 -3.441 13.021 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.923 -2.878 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.250 -3.418 11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.166 -5.366 11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.552 -4.967 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.404 -6.912 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.299 -5.603 10.438 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.593 -5.833 12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.089 -6.510 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.084 -6.520 14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.701 -5.682 14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.209 -6.060 15.657 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.219 -0.987 12.954 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.863 0.429 12.992 1.00 0.00 C ATOM 1347 C VAL A 88 -2.054 0.724 11.749 1.00 0.00 C ATOM 1348 O VAL A 88 -1.182 -0.069 11.430 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.064 0.752 14.264 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.726 0.021 14.352 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.838 2.253 14.460 1.00 0.00 C ATOM 0 H VAL A 88 -2.604 -1.586 13.504 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.758 1.051 13.014 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.697 0.385 15.072 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.219 0.299 15.276 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.898 -1.055 14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.104 0.297 13.500 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.268 2.419 15.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.284 2.652 13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.800 2.759 14.535 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.300 1.833 11.071 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.491 2.326 9.966 1.00 0.00 C ATOM 1363 C VAL A 89 -0.402 3.257 10.525 1.00 0.00 C ATOM 1364 O VAL A 89 -0.482 3.714 11.660 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.455 2.997 8.968 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.740 3.739 7.832 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.393 1.926 8.365 1.00 0.00 C ATOM 0 H VAL A 89 -3.095 2.436 11.281 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.960 1.538 9.433 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.017 3.744 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.479 4.187 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.107 4.522 8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.125 3.037 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.076 2.397 7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.799 1.172 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.965 1.453 9.163 1.00 0.00 H new ATOM 1377 N VAL A 90 0.626 3.559 9.736 1.00 0.00 N ATOM 1378 CA VAL A 90 1.645 4.564 10.021 1.00 0.00 C ATOM 1379 C VAL A 90 1.868 5.274 8.686 1.00 0.00 C ATOM 1380 O VAL A 90 1.880 4.592 7.651 1.00 0.00 O ATOM 1381 CB VAL A 90 2.928 3.864 10.531 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.061 4.859 10.821 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.677 3.036 11.798 1.00 0.00 C ATOM 0 H VAL A 90 0.777 3.090 8.843 1.00 0.00 H new ATOM 0 HA VAL A 90 1.355 5.273 10.796 1.00 0.00 H new ATOM 0 HB VAL A 90 3.229 3.201 9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.938 4.318 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.313 5.400 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.737 5.566 11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.608 2.565 12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.311 3.687 12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.934 2.266 11.588 1.00 0.00 H new ATOM 1393 N THR A 91 2.025 6.602 8.672 1.00 0.00 N ATOM 1394 CA THR A 91 2.348 7.291 7.419 1.00 0.00 C ATOM 1395 C THR A 91 3.862 7.533 7.298 1.00 0.00 C ATOM 1396 O THR A 91 4.622 7.375 8.262 1.00 0.00 O ATOM 1397 CB THR A 91 1.489 8.562 7.305 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.611 9.339 8.465 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.011 8.205 7.090 1.00 0.00 C ATOM 0 H THR A 91 1.937 7.206 9.489 1.00 0.00 H new ATOM 0 HA THR A 91 2.097 6.665 6.563 1.00 0.00 H new ATOM 0 HB THR A 91 1.846 9.130 6.446 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.929 10.042 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.577 9.120 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.094 7.627 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.347 7.614 7.933 1.00 0.00 H new ATOM 1407 N LYS A 92 4.320 7.877 6.089 1.00 0.00 N ATOM 1408 CA LYS A 92 5.686 8.286 5.775 1.00 0.00 C ATOM 1409 C LYS A 92 5.644 9.186 4.547 1.00 0.00 C ATOM 1410 O LYS A 92 4.733 9.050 3.724 1.00 0.00 O ATOM 1411 CB LYS A 92 6.535 7.040 5.464 1.00 0.00 C ATOM 1412 CG LYS A 92 7.705 6.893 6.428 1.00 0.00 C ATOM 1413 CD LYS A 92 8.470 5.607 6.104 1.00 0.00 C ATOM 1414 CE LYS A 92 9.754 5.560 6.928 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.228 4.176 7.107 1.00 0.00 N ATOM 0 H LYS A 92 3.716 7.876 5.267 1.00 0.00 H new ATOM 0 HA LYS A 92 6.124 8.817 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.907 6.151 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.912 7.103 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.368 7.754 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.343 6.865 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.851 4.737 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.706 5.569 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.527 6.150 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.579 6.015 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.102 4.179 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.500 3.621 7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.417 3.751 6.177 1.00 0.00 H new ATOM 1429 N TYR A 93 6.624 10.073 4.369 1.00 0.00 N ATOM 1430 CA TYR A 93 6.893 10.609 3.035 1.00 0.00 C ATOM 1431 C TYR A 93 7.734 9.572 2.289 1.00 0.00 C ATOM 1432 O TYR A 93 8.602 8.940 2.907 1.00 0.00 O ATOM 1433 CB TYR A 93 7.589 11.978 3.096 1.00 0.00 C ATOM 1434 CG TYR A 93 6.728 13.080 3.694 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.586 13.543 3.012 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.044 13.630 4.948 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.753 14.514 3.590 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.211 14.600 5.536 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.053 15.043 4.863 1.00 0.00 C ATOM 1440 OH TYR A 93 4.230 15.965 5.429 1.00 0.00 O ATOM 0 H TYR A 93 7.230 10.427 5.109 1.00 0.00 H new ATOM 0 HA TYR A 93 5.957 10.785 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.502 11.885 3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.886 12.269 2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.349 13.147 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.935 13.305 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.878 14.858 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.459 15.006 6.505 1.00 0.00 H new ATOM 0 HH TYR A 93 4.582 16.223 6.306 1.00 0.00 H new ATOM 1450 N CYS A 94 7.457 9.399 0.995 1.00 0.00 N ATOM 1451 CA CYS A 94 8.202 8.549 0.066 1.00 0.00 C ATOM 1452 C CYS A 94 8.900 9.441 -0.972 1.00 0.00 C ATOM 1453 O CYS A 94 8.949 10.667 -0.809 1.00 0.00 O ATOM 1454 CB CYS A 94 7.243 7.526 -0.584 1.00 0.00 C ATOM 1455 SG CYS A 94 7.803 5.827 -0.274 1.00 0.00 S ATOM 0 H CYS A 94 6.671 9.870 0.546 1.00 0.00 H new ATOM 0 HA CYS A 94 8.970 7.981 0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.237 7.660 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.187 7.705 -1.658 1.00 0.00 H new ATOM 0 HG CYS A 94 6.925 5.207 0.458 1.00 0.00 H new ATOM 1461 N ASP A 95 9.427 8.839 -2.041 1.00 0.00 N ATOM 1462 CA ASP A 95 9.935 9.540 -3.220 1.00 0.00 C ATOM 1463 C ASP A 95 9.145 9.046 -4.443 1.00 0.00 C ATOM 1464 O ASP A 95 8.768 7.869 -4.472 1.00 0.00 O ATOM 1465 CB ASP A 95 11.434 9.285 -3.422 1.00 0.00 C ATOM 1466 CG ASP A 95 12.305 9.906 -2.328 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.513 11.143 -2.346 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.838 9.178 -1.459 1.00 0.00 O ATOM 0 H ASP A 95 9.514 7.825 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 95 9.806 10.614 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.612 8.210 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.737 9.686 -4.389 1.00 0.00 H new ATOM 1473 N PRO A 96 8.869 9.907 -5.441 1.00 0.00 N ATOM 1474 CA PRO A 96 8.013 9.582 -6.572 1.00 0.00 C ATOM 1475 C PRO A 96 8.734 8.876 -7.719 1.00 0.00 C ATOM 1476 O PRO A 96 8.062 8.191 -8.483 1.00 0.00 O ATOM 1477 CB PRO A 96 7.451 10.924 -7.053 1.00 0.00 C ATOM 1478 CG PRO A 96 8.598 11.872 -6.744 1.00 0.00 C ATOM 1479 CD PRO A 96 9.086 11.338 -5.406 1.00 0.00 C ATOM 0 HA PRO A 96 7.245 8.877 -6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.209 10.908 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.539 11.199 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.375 11.837 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.266 12.908 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.141 11.569 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.539 11.795 -4.581 1.00 0.00 H new ATOM 1487 N ASP A 97 10.061 8.988 -7.867 1.00 0.00 N ATOM 1488 CA ASP A 97 10.768 8.267 -8.946 1.00 0.00 C ATOM 1489 C ASP A 97 10.460 6.775 -8.850 1.00 0.00 C ATOM 1490 O ASP A 97 10.061 6.131 -9.822 1.00 0.00 O ATOM 1491 CB ASP A 97 12.291 8.436 -8.892 1.00 0.00 C ATOM 1492 CG ASP A 97 12.894 8.364 -10.302 1.00 0.00 C ATOM 1493 OD1 ASP A 97 13.087 7.250 -10.836 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.176 9.433 -10.897 1.00 0.00 O ATOM 0 H ASP A 97 10.660 9.557 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 97 10.414 8.696 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.540 9.393 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.726 7.658 -8.264 1.00 0.00 H new ATOM 1499 N SER A 98 10.568 6.252 -7.629 1.00 0.00 N ATOM 1500 CA SER A 98 10.342 4.867 -7.304 1.00 0.00 C ATOM 1501 C SER A 98 8.835 4.530 -7.245 1.00 0.00 C ATOM 1502 O SER A 98 8.477 3.411 -6.876 1.00 0.00 O ATOM 1503 CB SER A 98 11.084 4.541 -5.995 1.00 0.00 C ATOM 1504 OG SER A 98 11.080 5.629 -5.081 1.00 0.00 O ATOM 0 H SER A 98 10.826 6.813 -6.817 1.00 0.00 H new ATOM 0 HA SER A 98 10.743 4.233 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.620 3.674 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.114 4.267 -6.224 1.00 0.00 H new ATOM 0 HG SER A 98 11.561 5.373 -4.266 1.00 0.00 H new ATOM 1510 N TYR A 99 7.939 5.486 -7.528 1.00 0.00 N ATOM 1511 CA TYR A 99 6.521 5.268 -7.811 1.00 0.00 C ATOM 1512 C TYR A 99 6.324 5.162 -9.321 1.00 0.00 C ATOM 1513 O TYR A 99 5.571 4.308 -9.783 1.00 0.00 O ATOM 1514 CB TYR A 99 5.664 6.421 -7.256 1.00 0.00 C ATOM 1515 CG TYR A 99 4.172 6.132 -7.261 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.633 5.296 -6.267 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.319 6.686 -8.242 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.262 4.995 -6.270 1.00 0.00 C ATOM 1519 CE2 TYR A 99 1.956 6.335 -8.280 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.425 5.474 -7.293 1.00 0.00 C ATOM 1521 OH TYR A 99 0.112 5.124 -7.271 1.00 0.00 O ATOM 0 H TYR A 99 8.197 6.472 -7.567 1.00 0.00 H new ATOM 0 HA TYR A 99 6.204 4.345 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.980 6.637 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.853 7.318 -7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.274 4.885 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.715 7.382 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.846 4.389 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.318 6.722 -9.061 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.422 5.829 -7.693 1.00 0.00 H new ATOM 1531 N HIS A 100 7.009 6.008 -10.097 1.00 0.00 N ATOM 1532 CA HIS A 100 6.950 6.013 -11.552 1.00 0.00 C ATOM 1533 C HIS A 100 7.504 4.718 -12.157 1.00 0.00 C ATOM 1534 O HIS A 100 7.139 4.371 -13.287 1.00 0.00 O ATOM 1535 CB HIS A 100 7.747 7.209 -12.093 1.00 0.00 C ATOM 1536 CG HIS A 100 7.366 8.555 -11.525 1.00 0.00 C ATOM 1537 ND1 HIS A 100 8.220 9.618 -11.304 1.00 0.00 N ATOM 1538 CD2 HIS A 100 6.105 8.954 -11.177 1.00 0.00 C ATOM 1539 CE1 HIS A 100 7.480 10.645 -10.852 1.00 0.00 C ATOM 1540 NE2 HIS A 100 6.179 10.295 -10.782 1.00 0.00 N ATOM 0 H HIS A 100 7.632 6.721 -9.718 1.00 0.00 H new ATOM 0 HA HIS A 100 5.901 6.092 -11.839 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.805 7.037 -11.896 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.626 7.244 -13.176 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.214 8.345 -11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.872 11.615 -10.583 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.402 10.891 -10.497 1.00 0.00 H new ATOM 1548 N ARG A 101 8.385 4.019 -11.435 1.00 0.00 N ATOM 1549 CA ARG A 101 9.007 2.755 -11.814 1.00 0.00 C ATOM 1550 C ARG A 101 8.790 1.719 -10.712 1.00 0.00 C ATOM 1551 O ARG A 101 8.488 2.061 -9.575 1.00 0.00 O ATOM 1552 CB ARG A 101 10.506 2.999 -12.041 1.00 0.00 C ATOM 1553 CG ARG A 101 10.787 3.746 -13.349 1.00 0.00 C ATOM 1554 CD ARG A 101 12.296 3.772 -13.614 1.00 0.00 C ATOM 1555 NE ARG A 101 12.606 3.761 -15.051 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.789 3.452 -15.591 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.847 3.190 -14.830 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.916 3.349 -16.906 1.00 0.00 N ATOM 0 H ARG A 101 8.698 4.342 -10.519 1.00 0.00 H new ATOM 0 HA ARG A 101 8.558 2.373 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.908 3.572 -11.205 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.029 2.043 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.271 3.258 -14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.401 4.764 -13.288 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.728 4.662 -13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.762 2.910 -13.136 1.00 0.00 H new ATOM 0 HE ARG A 101 11.853 4.011 -15.692 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.765 3.223 -13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.741 2.956 -15.262 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.109 3.506 -17.510 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.821 3.113 -17.314 1.00 0.00 H new ATOM 1572 N ARG A 102 9.037 0.442 -11.027 1.00 0.00 N ATOM 1573 CA ARG A 102 8.806 -0.730 -10.166 1.00 0.00 C ATOM 1574 C ARG A 102 9.866 -0.868 -9.060 1.00 0.00 C ATOM 1575 O ARG A 102 10.208 -1.979 -8.656 1.00 0.00 O ATOM 1576 CB ARG A 102 8.686 -1.995 -11.064 1.00 0.00 C ATOM 1577 CG ARG A 102 7.602 -3.020 -10.652 1.00 0.00 C ATOM 1578 CD ARG A 102 8.038 -4.034 -9.581 1.00 0.00 C ATOM 1579 NE ARG A 102 6.964 -4.986 -9.218 1.00 0.00 N ATOM 1580 CZ ARG A 102 6.773 -6.228 -9.691 1.00 0.00 C ATOM 1581 NH1 ARG A 102 7.481 -6.709 -10.708 1.00 0.00 N ATOM 1582 NH2 ARG A 102 5.874 -7.024 -9.126 1.00 0.00 N ATOM 0 H ARG A 102 9.423 0.182 -11.935 1.00 0.00 H new ATOM 0 HA ARG A 102 7.868 -0.600 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.484 -1.673 -12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.651 -2.501 -11.075 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.732 -2.477 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.284 -3.567 -11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.902 -4.590 -9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.358 -3.497 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 102 6.289 -4.660 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.194 -6.130 -11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.312 -7.657 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.327 -6.693 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.730 -7.967 -9.486 1.00 0.00 H new ATOM 1596 N ASP A 103 10.529 0.221 -8.676 1.00 0.00 N ATOM 1597 CA ASP A 103 11.813 0.207 -7.965 1.00 0.00 C ATOM 1598 C ASP A 103 11.637 0.214 -6.436 1.00 0.00 C ATOM 1599 O ASP A 103 12.342 0.890 -5.687 1.00 0.00 O ATOM 1600 CB ASP A 103 12.678 1.365 -8.470 1.00 0.00 C ATOM 1601 CG ASP A 103 14.153 1.206 -8.073 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.628 0.048 -7.947 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.865 2.231 -8.022 1.00 0.00 O ATOM 0 H ASP A 103 10.182 1.164 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 103 12.328 -0.729 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.601 1.427 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.295 2.303 -8.069 1.00 0.00 H new ATOM 1608 N PHE A 104 10.652 -0.549 -5.963 1.00 0.00 N ATOM 1609 CA PHE A 104 10.073 -0.515 -4.618 1.00 0.00 C ATOM 1610 C PHE A 104 10.944 -1.107 -3.501 1.00 0.00 C ATOM 1611 O PHE A 104 10.429 -1.432 -2.431 1.00 0.00 O ATOM 1612 CB PHE A 104 8.749 -1.286 -4.649 1.00 0.00 C ATOM 1613 CG PHE A 104 7.813 -0.994 -5.808 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.598 0.330 -6.237 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.154 -2.053 -6.459 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.755 0.589 -7.330 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.307 -1.788 -7.549 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.113 -0.469 -7.989 1.00 0.00 C ATOM 0 H PHE A 104 10.206 -1.256 -6.548 1.00 0.00 H new ATOM 0 HA PHE A 104 9.959 0.541 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.977 -2.352 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.215 -1.081 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.082 1.148 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.299 -3.069 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.601 1.605 -7.663 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.804 -2.602 -8.050 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.470 -0.270 -8.834 1.00 0.00 H new ATOM 1628 N TRP A 105 12.215 -1.362 -3.785 1.00 0.00 N ATOM 1629 CA TRP A 105 13.133 -2.159 -2.976 1.00 0.00 C ATOM 1630 C TRP A 105 13.179 -1.652 -1.550 1.00 0.00 C ATOM 1631 O TRP A 105 13.668 -0.532 -1.332 1.00 0.00 O ATOM 1632 CB TRP A 105 14.524 -2.203 -3.624 1.00 0.00 C ATOM 1633 CG TRP A 105 15.346 -3.356 -3.147 1.00 0.00 C ATOM 1634 CD1 TRP A 105 15.749 -3.561 -1.873 1.00 0.00 C ATOM 1635 CD2 TRP A 105 15.805 -4.509 -3.908 1.00 0.00 C ATOM 1636 NE1 TRP A 105 16.374 -4.786 -1.781 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.414 -5.423 -3.001 1.00 0.00 C ATOM 1638 CE3 TRP A 105 15.769 -4.875 -5.269 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 16.916 -6.660 -3.414 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 16.316 -6.096 -5.702 1.00 0.00 C ATOM 1641 CH2 TRP A 105 16.878 -6.991 -4.778 1.00 0.00 C ATOM 0 H TRP A 105 12.658 -1.000 -4.630 1.00 0.00 H new ATOM 0 HA TRP A 105 12.763 -3.183 -2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 105 14.414 -2.264 -4.707 1.00 0.00 H new ATOM 0 HB3 TRP A 105 15.050 -1.273 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 105 15.604 -2.872 -1.054 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.758 -5.172 -0.918 1.00 0.00 H new ATOM 0 HE3 TRP A 105 15.316 -4.209 -5.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 17.328 -7.352 -2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 16.304 -6.347 -6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 105 17.281 -7.934 -5.116 1.00 0.00 H new TER 1652 TRP A 105