USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 683 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 19 HIS : no HD1:sc= -0.0284 X(o=-0.0013,f=-0.053) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -173:sc= 0.027 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0135 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-3.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= -0.755 (180deg=-2.25!) USER MOD Single : A 22 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-1.6) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.33 K(o=-1.3,f=-8.3!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.58! C(o=-6.6!,f=-9.5!) USER MOD Single : A 39 GLN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.29) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0635) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= -0.0583 (180deg=-0.378) USER MOD Single : A 64 MET CE :methyl -159:sc= -0.0018 (180deg=-1) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.995 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -0.614 (180deg=-1.69!) USER MOD Single : A 86 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.64) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 22:sc= 1.15 USER MOD Single : A 91 SER OG : rot 28:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.528 15.393 24.590 1.00 0.00 N ATOM 2 CA GLY A 1 1.780 15.456 23.348 1.00 0.00 C ATOM 3 C GLY A 1 2.634 15.127 22.140 1.00 0.00 C ATOM 4 O GLY A 1 3.528 14.284 22.214 1.00 0.00 O ATOM 0 H1 GLY A 1 2.001 14.825 25.284 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.454 14.954 24.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.665 16.355 24.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.942 14.761 23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.360 16.455 23.231 1.00 0.00 H new ATOM 8 N SER A 2 2.358 15.792 21.023 1.00 0.00 N ATOM 9 CA SER A 2 3.105 15.562 19.791 1.00 0.00 C ATOM 10 C SER A 2 3.888 16.808 19.390 1.00 0.00 C ATOM 11 O SER A 2 3.309 17.864 19.136 1.00 0.00 O ATOM 12 CB SER A 2 2.155 15.157 18.662 1.00 0.00 C ATOM 13 OG SER A 2 2.798 15.237 17.402 1.00 0.00 O ATOM 0 H SER A 2 1.623 16.495 20.945 1.00 0.00 H new ATOM 0 HA SER A 2 3.812 14.752 19.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.800 14.140 18.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.279 15.806 18.669 1.00 0.00 H new ATOM 0 HG SER A 2 2.171 14.972 16.697 1.00 0.00 H new ATOM 19 N SER A 3 5.210 16.676 19.335 1.00 0.00 N ATOM 20 CA SER A 3 6.075 17.792 18.968 1.00 0.00 C ATOM 21 C SER A 3 6.723 17.552 17.608 1.00 0.00 C ATOM 22 O SER A 3 7.815 16.991 17.519 1.00 0.00 O ATOM 23 CB SER A 3 7.155 17.998 20.032 1.00 0.00 C ATOM 24 OG SER A 3 6.578 18.225 21.306 1.00 0.00 O ATOM 0 H SER A 3 5.705 15.808 19.540 1.00 0.00 H new ATOM 0 HA SER A 3 5.461 18.691 18.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.802 17.121 20.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.784 18.845 19.758 1.00 0.00 H new ATOM 0 HG SER A 3 7.288 18.352 21.969 1.00 0.00 H new ATOM 30 N GLY A 4 6.042 17.981 16.550 1.00 0.00 N ATOM 31 CA GLY A 4 6.566 17.805 15.208 1.00 0.00 C ATOM 32 C GLY A 4 6.989 16.375 14.935 1.00 0.00 C ATOM 33 O GLY A 4 8.178 16.056 14.959 1.00 0.00 O ATOM 0 H GLY A 4 5.136 18.448 16.598 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.808 18.101 14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.420 18.467 15.065 1.00 0.00 H new ATOM 37 N SER A 5 6.013 15.510 14.675 1.00 0.00 N ATOM 38 CA SER A 5 6.289 14.105 14.402 1.00 0.00 C ATOM 39 C SER A 5 6.258 13.827 12.902 1.00 0.00 C ATOM 40 O SER A 5 5.271 14.118 12.226 1.00 0.00 O ATOM 41 CB SER A 5 5.273 13.214 15.118 1.00 0.00 C ATOM 42 OG SER A 5 5.683 12.940 16.447 1.00 0.00 O ATOM 0 H SER A 5 5.024 15.758 14.648 1.00 0.00 H new ATOM 0 HA SER A 5 7.287 13.878 14.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.299 13.703 15.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.155 12.279 14.570 1.00 0.00 H new ATOM 0 HG SER A 5 5.016 12.370 16.884 1.00 0.00 H new ATOM 48 N SER A 6 7.346 13.263 12.388 1.00 0.00 N ATOM 49 CA SER A 6 7.445 12.948 10.967 1.00 0.00 C ATOM 50 C SER A 6 6.303 12.036 10.531 1.00 0.00 C ATOM 51 O SER A 6 5.723 12.216 9.461 1.00 0.00 O ATOM 52 CB SER A 6 8.789 12.283 10.663 1.00 0.00 C ATOM 53 OG SER A 6 9.000 12.174 9.266 1.00 0.00 O ATOM 0 H SER A 6 8.171 13.015 12.934 1.00 0.00 H new ATOM 0 HA SER A 6 7.374 13.881 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.595 12.864 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.819 11.292 11.117 1.00 0.00 H new ATOM 0 HG SER A 6 9.866 11.747 9.098 1.00 0.00 H new ATOM 59 N GLY A 7 5.985 11.054 11.370 1.00 0.00 N ATOM 60 CA GLY A 7 4.913 10.128 11.054 1.00 0.00 C ATOM 61 C GLY A 7 3.547 10.782 11.103 1.00 0.00 C ATOM 62 O GLY A 7 3.422 11.949 11.478 1.00 0.00 O ATOM 0 H GLY A 7 6.450 10.884 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.078 9.712 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.939 9.295 11.756 1.00 0.00 H new ATOM 66 N LEU A 8 2.519 10.032 10.722 1.00 0.00 N ATOM 67 CA LEU A 8 1.154 10.546 10.722 1.00 0.00 C ATOM 68 C LEU A 8 0.206 9.574 11.415 1.00 0.00 C ATOM 69 O LEU A 8 0.438 8.364 11.428 1.00 0.00 O ATOM 70 CB LEU A 8 0.684 10.801 9.289 1.00 0.00 C ATOM 71 CG LEU A 8 0.789 9.617 8.328 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.298 9.693 7.267 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.166 9.574 7.681 1.00 0.00 C ATOM 0 H LEU A 8 2.605 9.065 10.409 1.00 0.00 H new ATOM 0 HA LEU A 8 1.146 11.486 11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.356 11.126 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.264 11.628 8.879 1.00 0.00 H new ATOM 0 HG LEU A 8 0.649 8.698 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.208 8.842 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.277 9.673 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.190 10.618 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.222 8.725 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.336 10.496 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.928 9.470 8.454 1.00 0.00 H new ATOM 85 N THR A 9 -0.867 10.109 11.990 1.00 0.00 N ATOM 86 CA THR A 9 -1.852 9.289 12.684 1.00 0.00 C ATOM 87 C THR A 9 -3.076 9.043 11.810 1.00 0.00 C ATOM 88 O THR A 9 -3.965 9.890 11.715 1.00 0.00 O ATOM 89 CB THR A 9 -2.301 9.946 14.003 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.165 10.191 14.839 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.296 9.060 14.737 1.00 0.00 C ATOM 0 H THR A 9 -1.076 11.107 11.989 1.00 0.00 H new ATOM 0 HA THR A 9 -1.370 8.337 12.906 1.00 0.00 H new ATOM 0 HB THR A 9 -2.788 10.892 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.458 10.610 15.675 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.599 9.544 15.665 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.172 8.899 14.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.831 8.101 14.963 1.00 0.00 H new ATOM 99 N VAL A 10 -3.118 7.877 11.172 1.00 0.00 N ATOM 100 CA VAL A 10 -4.235 7.519 10.307 1.00 0.00 C ATOM 101 C VAL A 10 -4.861 6.197 10.737 1.00 0.00 C ATOM 102 O VAL A 10 -4.158 5.229 11.028 1.00 0.00 O ATOM 103 CB VAL A 10 -3.792 7.410 8.835 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.515 6.592 8.721 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.902 6.803 7.989 1.00 0.00 C ATOM 0 H VAL A 10 -2.391 7.165 11.238 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.974 8.315 10.399 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.587 8.413 8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.217 6.526 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.722 7.073 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.689 5.590 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.573 6.733 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.140 5.807 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.789 7.434 8.046 1.00 0.00 H new ATOM 115 N THR A 11 -6.190 6.162 10.774 1.00 0.00 N ATOM 116 CA THR A 11 -6.912 4.959 11.169 1.00 0.00 C ATOM 117 C THR A 11 -7.252 4.099 9.957 1.00 0.00 C ATOM 118 O THR A 11 -7.587 4.616 8.891 1.00 0.00 O ATOM 119 CB THR A 11 -8.211 5.306 11.920 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.922 6.161 13.031 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.905 4.044 12.411 1.00 0.00 C ATOM 0 H THR A 11 -6.788 6.953 10.535 1.00 0.00 H new ATOM 0 HA THR A 11 -6.255 4.399 11.834 1.00 0.00 H new ATOM 0 HB THR A 11 -8.877 5.823 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.754 6.378 13.502 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.820 4.314 12.938 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.151 3.409 11.560 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.242 3.504 13.087 1.00 0.00 H new ATOM 129 N VAL A 12 -7.164 2.784 10.128 1.00 0.00 N ATOM 130 CA VAL A 12 -7.464 1.851 9.048 1.00 0.00 C ATOM 131 C VAL A 12 -8.718 1.041 9.355 1.00 0.00 C ATOM 132 O VAL A 12 -8.785 0.336 10.363 1.00 0.00 O ATOM 133 CB VAL A 12 -6.291 0.886 8.797 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.750 -0.311 7.979 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.146 1.609 8.103 1.00 0.00 C ATOM 0 H VAL A 12 -6.887 2.340 11.004 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.631 2.448 8.151 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.931 0.522 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.907 -0.982 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.534 -0.841 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.138 0.031 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.325 0.912 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.491 2.003 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.801 2.430 8.731 1.00 0.00 H new ATOM 145 N THR A 13 -9.713 1.144 8.479 1.00 0.00 N ATOM 146 CA THR A 13 -10.966 0.421 8.656 1.00 0.00 C ATOM 147 C THR A 13 -10.867 -0.995 8.099 1.00 0.00 C ATOM 148 O THR A 13 -10.959 -1.205 6.889 1.00 0.00 O ATOM 149 CB THR A 13 -12.137 1.150 7.970 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.200 2.507 8.420 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.456 0.451 8.264 1.00 0.00 C ATOM 0 H THR A 13 -9.675 1.722 7.639 1.00 0.00 H new ATOM 0 HA THR A 13 -11.155 0.374 9.728 1.00 0.00 H new ATOM 0 HB THR A 13 -11.967 1.132 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.946 2.964 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.268 0.984 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.415 -0.573 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.631 0.441 9.340 1.00 0.00 H new ATOM 159 N HIS A 14 -10.680 -1.964 8.989 1.00 0.00 N ATOM 160 CA HIS A 14 -10.570 -3.362 8.586 1.00 0.00 C ATOM 161 C HIS A 14 -11.649 -4.207 9.258 1.00 0.00 C ATOM 162 O HIS A 14 -11.846 -4.130 10.470 1.00 0.00 O ATOM 163 CB HIS A 14 -9.186 -3.908 8.936 1.00 0.00 C ATOM 164 CG HIS A 14 -8.899 -5.246 8.328 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.904 -6.419 9.053 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.599 -5.594 7.054 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.618 -7.430 8.252 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.429 -6.957 7.034 1.00 0.00 N ATOM 0 H HIS A 14 -10.601 -1.807 9.994 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.711 -3.416 7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.429 -3.197 8.604 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.098 -3.984 10.020 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.098 -6.494 10.052 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.510 -4.925 6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.550 -8.468 8.544 1.00 0.00 H new ATOM 177 N SER A 15 -12.344 -5.013 8.461 1.00 0.00 N ATOM 178 CA SER A 15 -13.405 -5.869 8.978 1.00 0.00 C ATOM 179 C SER A 15 -14.485 -5.040 9.665 1.00 0.00 C ATOM 180 O SER A 15 -14.959 -5.391 10.745 1.00 0.00 O ATOM 181 CB SER A 15 -12.831 -6.894 9.958 1.00 0.00 C ATOM 182 OG SER A 15 -12.278 -8.003 9.271 1.00 0.00 O ATOM 0 H SER A 15 -12.191 -5.091 7.456 1.00 0.00 H new ATOM 0 HA SER A 15 -13.856 -6.395 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.064 -6.424 10.573 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.616 -7.235 10.633 1.00 0.00 H new ATOM 0 HG SER A 15 -11.916 -8.642 9.920 1.00 0.00 H new ATOM 188 N ASN A 16 -14.871 -3.938 9.030 1.00 0.00 N ATOM 189 CA ASN A 16 -15.895 -3.057 9.580 1.00 0.00 C ATOM 190 C ASN A 16 -15.540 -2.632 11.002 1.00 0.00 C ATOM 191 O ASN A 16 -16.415 -2.504 11.858 1.00 0.00 O ATOM 192 CB ASN A 16 -17.256 -3.755 9.569 1.00 0.00 C ATOM 193 CG ASN A 16 -17.508 -4.511 8.279 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.773 -5.713 8.292 1.00 0.00 O ATOM 195 ND2 ASN A 16 -17.427 -3.806 7.156 1.00 0.00 N ATOM 0 H ASN A 16 -14.490 -3.634 8.134 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.946 -2.165 8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.313 -4.447 10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.042 -3.014 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.587 -4.259 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.205 -2.811 7.193 1.00 0.00 H new ATOM 202 N GLU A 17 -14.252 -2.415 11.245 1.00 0.00 N ATOM 203 CA GLU A 17 -13.782 -2.004 12.563 1.00 0.00 C ATOM 204 C GLU A 17 -12.902 -0.761 12.464 1.00 0.00 C ATOM 205 O GLU A 17 -12.705 -0.210 11.381 1.00 0.00 O ATOM 206 CB GLU A 17 -13.005 -3.141 13.229 1.00 0.00 C ATOM 207 CG GLU A 17 -13.879 -4.311 13.649 1.00 0.00 C ATOM 208 CD GLU A 17 -13.202 -5.209 14.667 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.325 -6.003 14.266 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.549 -5.119 15.863 1.00 0.00 O ATOM 0 H GLU A 17 -13.515 -2.517 10.547 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.653 -1.763 13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.240 -3.499 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.488 -2.752 14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.811 -3.932 14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.141 -4.898 12.769 1.00 0.00 H new ATOM 217 N LYS A 18 -12.374 -0.325 13.603 1.00 0.00 N ATOM 218 CA LYS A 18 -11.514 0.851 13.647 1.00 0.00 C ATOM 219 C LYS A 18 -10.198 0.537 14.351 1.00 0.00 C ATOM 220 O LYS A 18 -10.188 0.072 15.492 1.00 0.00 O ATOM 221 CB LYS A 18 -12.225 2.002 14.363 1.00 0.00 C ATOM 222 CG LYS A 18 -11.571 3.354 14.140 1.00 0.00 C ATOM 223 CD LYS A 18 -11.804 4.288 15.316 1.00 0.00 C ATOM 224 CE LYS A 18 -10.846 3.993 16.460 1.00 0.00 C ATOM 225 NZ LYS A 18 -11.388 2.960 17.385 1.00 0.00 N ATOM 0 H LYS A 18 -12.527 -0.769 14.508 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.295 1.148 12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.259 2.047 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.251 1.793 15.432 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.500 3.220 13.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.969 3.806 13.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.678 5.321 14.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.832 4.186 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.892 3.654 16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.650 4.910 17.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.124 3.197 18.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.424 2.931 17.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.995 2.030 17.136 1.00 0.00 H new ATOM 239 N HIS A 19 -9.089 0.794 13.665 1.00 0.00 N ATOM 240 CA HIS A 19 -7.767 0.541 14.227 1.00 0.00 C ATOM 241 C HIS A 19 -6.818 1.698 13.927 1.00 0.00 C ATOM 242 O HIS A 19 -6.370 1.868 12.794 1.00 0.00 O ATOM 243 CB HIS A 19 -7.193 -0.762 13.667 1.00 0.00 C ATOM 244 CG HIS A 19 -8.044 -1.961 13.951 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.131 -2.544 15.197 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.850 -2.687 13.141 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.952 -3.577 15.142 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.402 -3.685 13.904 1.00 0.00 N ATOM 0 H HIS A 19 -9.079 1.177 12.720 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.870 0.450 15.308 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.069 -0.661 12.589 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.201 -0.923 14.088 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.026 -2.513 12.090 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.211 -4.223 15.968 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.054 -4.395 13.570 1.00 0.00 H new ATOM 257 N ASP A 20 -6.518 2.490 14.951 1.00 0.00 N ATOM 258 CA ASP A 20 -5.623 3.631 14.798 1.00 0.00 C ATOM 259 C ASP A 20 -4.173 3.171 14.678 1.00 0.00 C ATOM 260 O ASP A 20 -3.685 2.400 15.505 1.00 0.00 O ATOM 261 CB ASP A 20 -5.772 4.586 15.983 1.00 0.00 C ATOM 262 CG ASP A 20 -5.259 3.987 17.278 1.00 0.00 C ATOM 263 OD1 ASP A 20 -4.051 4.129 17.560 1.00 0.00 O ATOM 264 OD2 ASP A 20 -6.067 3.376 18.009 1.00 0.00 O ATOM 0 H ASP A 20 -6.881 2.363 15.895 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.896 4.156 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.230 5.508 15.773 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.822 4.853 16.101 1.00 0.00 H new ATOM 269 N LEU A 21 -3.489 3.650 13.644 1.00 0.00 N ATOM 270 CA LEU A 21 -2.095 3.288 13.416 1.00 0.00 C ATOM 271 C LEU A 21 -1.242 4.530 13.176 1.00 0.00 C ATOM 272 O LEU A 21 -1.718 5.527 12.631 1.00 0.00 O ATOM 273 CB LEU A 21 -1.983 2.340 12.220 1.00 0.00 C ATOM 274 CG LEU A 21 -2.989 1.189 12.180 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.957 0.499 10.825 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.705 0.193 13.294 1.00 0.00 C ATOM 0 H LEU A 21 -3.877 4.290 12.951 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.726 2.783 14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.094 2.925 11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.978 1.918 12.209 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.987 1.599 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.679 -0.317 10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.210 1.217 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.958 0.102 10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.431 -0.619 13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.700 -0.212 13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.780 0.695 14.259 1.00 0.00 H new ATOM 288 N HIS A 22 0.021 4.462 13.584 1.00 0.00 N ATOM 289 CA HIS A 22 0.941 5.580 13.411 1.00 0.00 C ATOM 290 C HIS A 22 1.955 5.284 12.310 1.00 0.00 C ATOM 291 O HIS A 22 2.895 4.514 12.508 1.00 0.00 O ATOM 292 CB HIS A 22 1.668 5.878 14.723 1.00 0.00 C ATOM 293 CG HIS A 22 2.732 6.924 14.594 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.778 7.047 15.484 1.00 0.00 N ATOM 295 CD2 HIS A 22 2.908 7.899 13.672 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.551 8.053 15.115 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.045 8.587 14.018 1.00 0.00 N ATOM 0 H HIS A 22 0.431 3.645 14.037 1.00 0.00 H new ATOM 0 HA HIS A 22 0.360 6.455 13.120 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.940 6.202 15.467 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.118 4.958 15.097 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.931 6.454 16.300 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.272 8.099 12.822 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.445 8.383 15.624 1.00 0.00 H new ATOM 306 N VAL A 23 1.757 5.900 11.149 1.00 0.00 N ATOM 307 CA VAL A 23 2.654 5.703 10.016 1.00 0.00 C ATOM 308 C VAL A 23 3.939 6.507 10.186 1.00 0.00 C ATOM 309 O VAL A 23 3.914 7.650 10.642 1.00 0.00 O ATOM 310 CB VAL A 23 1.981 6.106 8.691 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.800 5.617 7.506 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.561 5.563 8.628 1.00 0.00 C ATOM 0 H VAL A 23 0.983 6.540 10.968 1.00 0.00 H new ATOM 0 HA VAL A 23 2.895 4.640 9.984 1.00 0.00 H new ATOM 0 HB VAL A 23 1.932 7.194 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.309 5.911 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.796 6.058 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.883 4.531 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.100 5.857 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.584 4.475 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.020 5.967 9.457 1.00 0.00 H new ATOM 322 N THR A 24 5.063 5.901 9.816 1.00 0.00 N ATOM 323 CA THR A 24 6.358 6.559 9.927 1.00 0.00 C ATOM 324 C THR A 24 7.242 6.239 8.727 1.00 0.00 C ATOM 325 O THR A 24 7.224 5.122 8.210 1.00 0.00 O ATOM 326 CB THR A 24 7.091 6.141 11.216 1.00 0.00 C ATOM 327 OG1 THR A 24 7.185 4.714 11.286 1.00 0.00 O ATOM 328 CG2 THR A 24 6.366 6.667 12.446 1.00 0.00 C ATOM 0 H THR A 24 5.102 4.955 9.437 1.00 0.00 H new ATOM 0 HA THR A 24 6.166 7.632 9.958 1.00 0.00 H new ATOM 0 HB THR A 24 8.093 6.570 11.193 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.654 4.457 12.107 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.902 6.359 13.344 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.322 7.755 12.405 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.354 6.264 12.472 1.00 0.00 H new ATOM 336 N SER A 25 8.016 7.227 8.289 1.00 0.00 N ATOM 337 CA SER A 25 8.906 7.051 7.147 1.00 0.00 C ATOM 338 C SER A 25 9.876 5.898 7.386 1.00 0.00 C ATOM 339 O SER A 25 9.816 5.227 8.415 1.00 0.00 O ATOM 340 CB SER A 25 9.684 8.340 6.877 1.00 0.00 C ATOM 341 OG SER A 25 10.543 8.653 7.960 1.00 0.00 O ATOM 0 H SER A 25 8.045 8.157 8.707 1.00 0.00 H new ATOM 0 HA SER A 25 8.296 6.814 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.269 8.231 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.987 9.162 6.712 1.00 0.00 H new ATOM 0 HG SER A 25 11.030 9.480 7.763 1.00 0.00 H new ATOM 347 N GLN A 26 10.769 5.676 6.427 1.00 0.00 N ATOM 348 CA GLN A 26 11.752 4.605 6.532 1.00 0.00 C ATOM 349 C GLN A 26 13.067 5.126 7.102 1.00 0.00 C ATOM 350 O GLN A 26 14.145 4.722 6.667 1.00 0.00 O ATOM 351 CB GLN A 26 11.993 3.968 5.162 1.00 0.00 C ATOM 352 CG GLN A 26 10.729 3.432 4.510 1.00 0.00 C ATOM 353 CD GLN A 26 10.027 4.470 3.657 1.00 0.00 C ATOM 354 OE1 GLN A 26 9.482 5.447 4.171 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.037 4.264 2.345 1.00 0.00 N ATOM 0 H GLN A 26 10.832 6.224 5.569 1.00 0.00 H new ATOM 0 HA GLN A 26 11.357 3.850 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.447 4.707 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.710 3.154 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.981 2.570 3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.046 3.081 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.501 3.440 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.581 4.929 1.721 1.00 0.00 H new ATOM 364 N GLN A 27 12.969 6.025 8.076 1.00 0.00 N ATOM 365 CA GLN A 27 14.152 6.602 8.704 1.00 0.00 C ATOM 366 C GLN A 27 15.122 7.132 7.654 1.00 0.00 C ATOM 367 O GLN A 27 16.337 6.993 7.789 1.00 0.00 O ATOM 368 CB GLN A 27 14.850 5.560 9.580 1.00 0.00 C ATOM 369 CG GLN A 27 13.980 5.034 10.711 1.00 0.00 C ATOM 370 CD GLN A 27 14.329 3.612 11.104 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.173 2.681 10.313 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.807 3.437 12.330 1.00 0.00 N ATOM 0 H GLN A 27 12.084 6.369 8.447 1.00 0.00 H new ATOM 0 HA GLN A 27 13.830 7.435 9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.164 4.724 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.754 5.999 10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.088 5.684 11.580 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.934 5.077 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.920 4.237 12.952 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.061 2.502 12.650 1.00 0.00 H new ATOM 381 N GLY A 28 14.577 7.741 6.605 1.00 0.00 N ATOM 382 CA GLY A 28 15.408 8.283 5.546 1.00 0.00 C ATOM 383 C GLY A 28 14.697 9.351 4.740 1.00 0.00 C ATOM 384 O GLY A 28 15.205 10.462 4.584 1.00 0.00 O ATOM 0 H GLY A 28 13.574 7.869 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.315 8.703 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.717 7.476 4.882 1.00 0.00 H new ATOM 388 N SER A 29 13.519 9.015 4.223 1.00 0.00 N ATOM 389 CA SER A 29 12.740 9.952 3.423 1.00 0.00 C ATOM 390 C SER A 29 12.095 11.015 4.307 1.00 0.00 C ATOM 391 O SER A 29 11.484 10.702 5.329 1.00 0.00 O ATOM 392 CB SER A 29 11.662 9.207 2.633 1.00 0.00 C ATOM 393 OG SER A 29 12.231 8.468 1.566 1.00 0.00 O ATOM 0 H SER A 29 13.084 8.101 4.344 1.00 0.00 H new ATOM 0 HA SER A 29 13.416 10.446 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.120 8.534 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.937 9.920 2.240 1.00 0.00 H new ATOM 0 HG SER A 29 11.522 8.000 1.078 1.00 0.00 H new ATOM 399 N SER A 30 12.236 12.274 3.906 1.00 0.00 N ATOM 400 CA SER A 30 11.671 13.386 4.662 1.00 0.00 C ATOM 401 C SER A 30 10.222 13.101 5.045 1.00 0.00 C ATOM 402 O SER A 30 9.834 13.254 6.202 1.00 0.00 O ATOM 403 CB SER A 30 11.751 14.678 3.847 1.00 0.00 C ATOM 404 OG SER A 30 11.732 15.816 4.692 1.00 0.00 O ATOM 0 H SER A 30 12.737 12.550 3.061 1.00 0.00 H new ATOM 0 HA SER A 30 12.253 13.505 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.663 14.679 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.914 14.725 3.150 1.00 0.00 H new ATOM 0 HG SER A 30 11.786 16.629 4.147 1.00 0.00 H new ATOM 410 N GLU A 31 9.427 12.687 4.063 1.00 0.00 N ATOM 411 CA GLU A 31 8.021 12.382 4.296 1.00 0.00 C ATOM 412 C GLU A 31 7.734 10.906 4.038 1.00 0.00 C ATOM 413 O GLU A 31 8.314 10.281 3.150 1.00 0.00 O ATOM 414 CB GLU A 31 7.133 13.249 3.401 1.00 0.00 C ATOM 415 CG GLU A 31 7.372 13.036 1.916 1.00 0.00 C ATOM 416 CD GLU A 31 6.489 13.914 1.051 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.683 15.148 1.064 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.604 13.367 0.361 1.00 0.00 O ATOM 0 H GLU A 31 9.733 12.555 3.099 1.00 0.00 H new ATOM 0 HA GLU A 31 7.797 12.601 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.088 13.037 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.304 14.298 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.418 13.241 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.191 11.990 1.669 1.00 0.00 H new ATOM 425 N PRO A 32 6.818 10.333 4.834 1.00 0.00 N ATOM 426 CA PRO A 32 6.433 8.924 4.711 1.00 0.00 C ATOM 427 C PRO A 32 5.642 8.648 3.437 1.00 0.00 C ATOM 428 O PRO A 32 5.204 9.573 2.753 1.00 0.00 O ATOM 429 CB PRO A 32 5.559 8.687 5.946 1.00 0.00 C ATOM 430 CG PRO A 32 5.017 10.031 6.290 1.00 0.00 C ATOM 431 CD PRO A 32 6.087 11.018 5.913 1.00 0.00 C ATOM 0 HA PRO A 32 7.301 8.267 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.758 7.979 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.141 8.272 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.093 10.230 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.782 10.097 7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.661 11.962 5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.738 11.247 6.757 1.00 0.00 H new ATOM 439 N VAL A 33 5.462 7.368 3.124 1.00 0.00 N ATOM 440 CA VAL A 33 4.722 6.970 1.932 1.00 0.00 C ATOM 441 C VAL A 33 3.847 5.754 2.210 1.00 0.00 C ATOM 442 O VAL A 33 3.837 5.223 3.321 1.00 0.00 O ATOM 443 CB VAL A 33 5.672 6.649 0.763 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.531 7.857 0.425 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.539 5.444 1.098 1.00 0.00 C ATOM 0 H VAL A 33 5.818 6.590 3.679 1.00 0.00 H new ATOM 0 HA VAL A 33 4.090 7.814 1.655 1.00 0.00 H new ATOM 0 HB VAL A 33 5.072 6.404 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.196 7.611 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.890 8.691 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.124 8.137 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.204 5.231 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.132 5.658 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.903 4.579 1.285 1.00 0.00 H new ATOM 455 N VAL A 34 3.111 5.316 1.193 1.00 0.00 N ATOM 456 CA VAL A 34 2.232 4.160 1.327 1.00 0.00 C ATOM 457 C VAL A 34 2.988 2.956 1.875 1.00 0.00 C ATOM 458 O VAL A 34 2.553 2.324 2.838 1.00 0.00 O ATOM 459 CB VAL A 34 1.594 3.782 -0.022 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.984 2.390 0.047 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.548 4.811 -0.424 1.00 0.00 C ATOM 0 H VAL A 34 3.106 5.744 0.267 1.00 0.00 H new ATOM 0 HA VAL A 34 1.445 4.440 2.027 1.00 0.00 H new ATOM 0 HB VAL A 34 2.374 3.774 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.538 2.140 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.761 1.664 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.216 2.367 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.108 4.528 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.232 4.853 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.018 5.790 -0.517 1.00 0.00 H new ATOM 471 N GLN A 35 4.122 2.644 1.256 1.00 0.00 N ATOM 472 CA GLN A 35 4.939 1.514 1.683 1.00 0.00 C ATOM 473 C GLN A 35 4.881 1.341 3.197 1.00 0.00 C ATOM 474 O GLN A 35 4.530 0.272 3.697 1.00 0.00 O ATOM 475 CB GLN A 35 6.388 1.707 1.234 1.00 0.00 C ATOM 476 CG GLN A 35 7.376 0.812 1.965 1.00 0.00 C ATOM 477 CD GLN A 35 6.762 -0.506 2.395 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.998 -0.981 3.506 1.00 0.00 O ATOM 479 NE2 GLN A 35 5.969 -1.105 1.514 1.00 0.00 N ATOM 0 H GLN A 35 4.496 3.157 0.458 1.00 0.00 H new ATOM 0 HA GLN A 35 4.539 0.613 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.457 1.512 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.671 2.748 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.231 0.616 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.754 1.336 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.801 -0.675 0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.528 -1.995 1.747 1.00 0.00 H new ATOM 488 N ASP A 36 5.229 2.399 3.921 1.00 0.00 N ATOM 489 CA ASP A 36 5.216 2.365 5.379 1.00 0.00 C ATOM 490 C ASP A 36 3.849 1.933 5.901 1.00 0.00 C ATOM 491 O ASP A 36 3.749 1.057 6.761 1.00 0.00 O ATOM 492 CB ASP A 36 5.582 3.737 5.946 1.00 0.00 C ATOM 493 CG ASP A 36 6.896 4.259 5.397 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.884 3.496 5.400 1.00 0.00 O ATOM 495 OD2 ASP A 36 6.935 5.430 4.965 1.00 0.00 O ATOM 0 H ASP A 36 5.523 3.291 3.522 1.00 0.00 H new ATOM 0 HA ASP A 36 5.957 1.636 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.787 4.446 5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.645 3.673 7.032 1.00 0.00 H new ATOM 500 N LEU A 37 2.799 2.555 5.376 1.00 0.00 N ATOM 501 CA LEU A 37 1.436 2.236 5.789 1.00 0.00 C ATOM 502 C LEU A 37 1.157 0.744 5.641 1.00 0.00 C ATOM 503 O LEU A 37 0.730 0.085 6.589 1.00 0.00 O ATOM 504 CB LEU A 37 0.431 3.039 4.963 1.00 0.00 C ATOM 505 CG LEU A 37 -0.979 2.455 4.868 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.630 2.405 6.242 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.830 3.267 3.902 1.00 0.00 C ATOM 0 H LEU A 37 2.865 3.283 4.664 1.00 0.00 H new ATOM 0 HA LEU A 37 1.329 2.504 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.360 4.040 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.826 3.148 3.953 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.904 1.437 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.633 1.987 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.032 1.780 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.692 3.413 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.830 2.836 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.897 4.297 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.373 3.250 2.912 1.00 0.00 H new ATOM 519 N ALA A 38 1.404 0.217 4.446 1.00 0.00 N ATOM 520 CA ALA A 38 1.183 -1.199 4.175 1.00 0.00 C ATOM 521 C ALA A 38 1.874 -2.071 5.218 1.00 0.00 C ATOM 522 O ALA A 38 1.332 -3.091 5.643 1.00 0.00 O ATOM 523 CB ALA A 38 1.675 -1.551 2.779 1.00 0.00 C ATOM 0 H ALA A 38 1.757 0.749 3.650 1.00 0.00 H new ATOM 0 HA ALA A 38 0.112 -1.393 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.504 -2.611 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.133 -0.959 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.741 -1.336 2.704 1.00 0.00 H new ATOM 529 N GLN A 39 3.072 -1.664 5.624 1.00 0.00 N ATOM 530 CA GLN A 39 3.836 -2.411 6.616 1.00 0.00 C ATOM 531 C GLN A 39 3.229 -2.249 8.006 1.00 0.00 C ATOM 532 O GLN A 39 3.095 -3.219 8.753 1.00 0.00 O ATOM 533 CB GLN A 39 5.293 -1.944 6.626 1.00 0.00 C ATOM 534 CG GLN A 39 6.184 -2.711 5.662 1.00 0.00 C ATOM 535 CD GLN A 39 6.698 -4.010 6.250 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.783 -4.057 6.830 1.00 0.00 O ATOM 537 NE2 GLN A 39 5.918 -5.076 6.103 1.00 0.00 N ATOM 0 H GLN A 39 3.534 -0.822 5.282 1.00 0.00 H new ATOM 0 HA GLN A 39 3.801 -3.466 6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.328 -0.884 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.692 -2.046 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.627 -2.925 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.030 -2.085 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.026 -4.992 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.211 -5.978 6.478 1.00 0.00 H new ATOM 546 N VAL A 40 2.862 -1.018 8.347 1.00 0.00 N ATOM 547 CA VAL A 40 2.268 -0.729 9.646 1.00 0.00 C ATOM 548 C VAL A 40 1.054 -1.615 9.905 1.00 0.00 C ATOM 549 O VAL A 40 0.768 -1.976 11.046 1.00 0.00 O ATOM 550 CB VAL A 40 1.845 0.748 9.754 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.959 0.962 10.972 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.069 1.650 9.810 1.00 0.00 C ATOM 0 H VAL A 40 2.966 -0.204 7.741 1.00 0.00 H new ATOM 0 HA VAL A 40 3.031 -0.936 10.396 1.00 0.00 H new ATOM 0 HB VAL A 40 1.270 1.009 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.670 2.011 11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.065 0.344 10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.506 0.684 11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.751 2.690 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.673 1.390 10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.661 1.517 8.904 1.00 0.00 H new ATOM 562 N VAL A 41 0.343 -1.961 8.836 1.00 0.00 N ATOM 563 CA VAL A 41 -0.840 -2.806 8.946 1.00 0.00 C ATOM 564 C VAL A 41 -0.455 -4.261 9.191 1.00 0.00 C ATOM 565 O VAL A 41 -0.856 -4.859 10.189 1.00 0.00 O ATOM 566 CB VAL A 41 -1.709 -2.723 7.678 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.770 -3.813 7.685 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.346 -1.347 7.558 1.00 0.00 C ATOM 0 H VAL A 41 0.566 -1.669 7.884 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.415 -2.437 9.796 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.069 -2.879 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.374 -3.738 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.288 -4.790 7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.409 -3.693 8.560 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.957 -1.306 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.973 -1.159 8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.565 -0.588 7.502 1.00 0.00 H new ATOM 578 N GLU A 42 0.326 -4.823 8.274 1.00 0.00 N ATOM 579 CA GLU A 42 0.764 -6.209 8.392 1.00 0.00 C ATOM 580 C GLU A 42 1.589 -6.413 9.659 1.00 0.00 C ATOM 581 O GLU A 42 1.757 -7.539 10.127 1.00 0.00 O ATOM 582 CB GLU A 42 1.586 -6.613 7.165 1.00 0.00 C ATOM 583 CG GLU A 42 2.045 -8.061 7.190 1.00 0.00 C ATOM 584 CD GLU A 42 2.889 -8.426 5.985 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.098 -7.550 5.120 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.341 -9.587 5.906 1.00 0.00 O ATOM 0 H GLU A 42 0.668 -4.341 7.443 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.123 -6.840 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.990 -6.445 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.460 -5.965 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.619 -8.241 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.173 -8.714 7.230 1.00 0.00 H new ATOM 593 N GLU A 43 2.101 -5.316 10.209 1.00 0.00 N ATOM 594 CA GLU A 43 2.909 -5.376 11.421 1.00 0.00 C ATOM 595 C GLU A 43 2.043 -5.177 12.662 1.00 0.00 C ATOM 596 O GLU A 43 2.277 -5.794 13.701 1.00 0.00 O ATOM 597 CB GLU A 43 4.010 -4.314 11.379 1.00 0.00 C ATOM 598 CG GLU A 43 5.083 -4.591 10.339 1.00 0.00 C ATOM 599 CD GLU A 43 5.956 -5.776 10.703 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.419 -5.837 11.862 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.178 -6.641 9.831 1.00 0.00 O ATOM 0 H GLU A 43 1.971 -4.376 9.835 1.00 0.00 H new ATOM 0 HA GLU A 43 3.368 -6.363 11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.559 -3.343 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.477 -4.247 12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.610 -4.776 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.708 -3.706 10.223 1.00 0.00 H new ATOM 608 N VAL A 44 1.042 -4.311 12.546 1.00 0.00 N ATOM 609 CA VAL A 44 0.141 -4.030 13.657 1.00 0.00 C ATOM 610 C VAL A 44 -1.101 -4.913 13.593 1.00 0.00 C ATOM 611 O VAL A 44 -1.388 -5.666 14.525 1.00 0.00 O ATOM 612 CB VAL A 44 -0.294 -2.552 13.668 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.314 -2.304 14.769 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.915 -1.644 13.835 1.00 0.00 C ATOM 0 H VAL A 44 0.834 -3.791 11.693 1.00 0.00 H new ATOM 0 HA VAL A 44 0.691 -4.246 14.573 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.764 -2.321 12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.610 -1.255 14.762 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.191 -2.929 14.600 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.873 -2.550 15.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.591 -0.603 13.841 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.415 -1.873 14.776 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.607 -1.804 13.008 1.00 0.00 H new ATOM 624 N ILE A 45 -1.834 -4.815 12.489 1.00 0.00 N ATOM 625 CA ILE A 45 -3.044 -5.606 12.304 1.00 0.00 C ATOM 626 C ILE A 45 -2.723 -7.095 12.243 1.00 0.00 C ATOM 627 O ILE A 45 -3.205 -7.879 13.060 1.00 0.00 O ATOM 628 CB ILE A 45 -3.791 -5.200 11.020 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.964 -3.681 10.963 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.142 -5.896 10.950 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.861 -3.216 9.837 1.00 0.00 C ATOM 0 H ILE A 45 -1.611 -4.196 11.710 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.684 -5.410 13.164 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.199 -5.512 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.376 -3.335 11.911 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.984 -3.216 10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.658 -5.599 10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.995 -6.976 10.949 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.743 -5.613 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.938 -2.129 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.440 -3.532 8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.853 -3.652 9.958 1.00 0.00 H new ATOM 643 N GLY A 46 -1.904 -7.479 11.268 1.00 0.00 N ATOM 644 CA GLY A 46 -1.532 -8.874 11.119 1.00 0.00 C ATOM 645 C GLY A 46 -1.919 -9.436 9.765 1.00 0.00 C ATOM 646 O GLY A 46 -1.831 -10.643 9.538 1.00 0.00 O ATOM 0 H GLY A 46 -1.492 -6.849 10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.456 -8.977 11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.011 -9.460 11.903 1.00 0.00 H new ATOM 650 N VAL A 47 -2.351 -8.560 8.864 1.00 0.00 N ATOM 651 CA VAL A 47 -2.755 -8.976 7.526 1.00 0.00 C ATOM 652 C VAL A 47 -1.675 -8.650 6.500 1.00 0.00 C ATOM 653 O VAL A 47 -1.153 -7.536 6.444 1.00 0.00 O ATOM 654 CB VAL A 47 -4.072 -8.299 7.101 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.332 -8.521 5.619 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.231 -8.818 7.938 1.00 0.00 C ATOM 0 H VAL A 47 -2.430 -7.558 9.036 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.905 -10.055 7.562 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.982 -7.226 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.266 -8.036 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.513 -8.097 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.403 -9.590 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.154 -8.329 7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.326 -9.895 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.045 -8.602 8.990 1.00 0.00 H new ATOM 666 N PRO A 48 -1.330 -9.643 5.668 1.00 0.00 N ATOM 667 CA PRO A 48 -0.309 -9.486 4.628 1.00 0.00 C ATOM 668 C PRO A 48 -0.768 -8.569 3.499 1.00 0.00 C ATOM 669 O PRO A 48 -1.964 -8.450 3.232 1.00 0.00 O ATOM 670 CB PRO A 48 -0.109 -10.912 4.109 1.00 0.00 C ATOM 671 CG PRO A 48 -1.393 -11.607 4.405 1.00 0.00 C ATOM 672 CD PRO A 48 -1.910 -10.997 5.678 1.00 0.00 C ATOM 0 HA PRO A 48 0.600 -9.027 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.107 -10.918 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.729 -11.400 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.106 -11.474 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.238 -12.680 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.999 -10.967 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.592 -11.564 6.553 1.00 0.00 H new ATOM 680 N GLN A 49 0.189 -7.923 2.842 1.00 0.00 N ATOM 681 CA GLN A 49 -0.118 -7.016 1.742 1.00 0.00 C ATOM 682 C GLN A 49 -0.847 -7.748 0.620 1.00 0.00 C ATOM 683 O GLN A 49 -1.354 -7.126 -0.313 1.00 0.00 O ATOM 684 CB GLN A 49 1.164 -6.380 1.204 1.00 0.00 C ATOM 685 CG GLN A 49 1.975 -5.652 2.265 1.00 0.00 C ATOM 686 CD GLN A 49 3.209 -4.979 1.697 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.346 -4.830 0.483 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.116 -4.567 2.576 1.00 0.00 N ATOM 0 H GLN A 49 1.183 -8.010 3.052 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.771 -6.231 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.783 -7.156 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.906 -5.678 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.347 -4.903 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.275 -6.360 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.961 -4.711 3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.967 -4.107 2.253 1.00 0.00 H new ATOM 697 N SER A 50 -0.894 -9.072 0.718 1.00 0.00 N ATOM 698 CA SER A 50 -1.557 -9.890 -0.292 1.00 0.00 C ATOM 699 C SER A 50 -3.004 -10.171 0.102 1.00 0.00 C ATOM 700 O SER A 50 -3.793 -10.669 -0.702 1.00 0.00 O ATOM 701 CB SER A 50 -0.804 -11.207 -0.486 1.00 0.00 C ATOM 702 OG SER A 50 0.221 -11.070 -1.455 1.00 0.00 O ATOM 0 H SER A 50 -0.481 -9.602 1.486 1.00 0.00 H new ATOM 0 HA SER A 50 -1.555 -9.337 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.372 -11.526 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.501 -11.986 -0.796 1.00 0.00 H new ATOM 0 HG SER A 50 0.689 -11.925 -1.560 1.00 0.00 H new ATOM 708 N PHE A 51 -3.346 -9.849 1.345 1.00 0.00 N ATOM 709 CA PHE A 51 -4.698 -10.067 1.847 1.00 0.00 C ATOM 710 C PHE A 51 -5.363 -8.743 2.211 1.00 0.00 C ATOM 711 O PHE A 51 -6.551 -8.702 2.530 1.00 0.00 O ATOM 712 CB PHE A 51 -4.668 -10.989 3.068 1.00 0.00 C ATOM 713 CG PHE A 51 -4.355 -12.419 2.732 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.227 -12.740 1.994 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.188 -13.442 3.155 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.935 -14.055 1.684 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.901 -14.759 2.848 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.774 -15.066 2.110 1.00 0.00 C ATOM 0 H PHE A 51 -2.706 -9.436 2.023 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.281 -10.540 1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.925 -10.619 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.634 -10.945 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.568 -11.953 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.071 -13.208 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.052 -14.292 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.557 -15.548 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.550 -16.094 1.867 1.00 0.00 H new ATOM 728 N GLN A 52 -4.588 -7.665 2.161 1.00 0.00 N ATOM 729 CA GLN A 52 -5.102 -6.340 2.487 1.00 0.00 C ATOM 730 C GLN A 52 -5.091 -5.435 1.259 1.00 0.00 C ATOM 731 O GLN A 52 -4.206 -5.535 0.409 1.00 0.00 O ATOM 732 CB GLN A 52 -4.273 -5.709 3.607 1.00 0.00 C ATOM 733 CG GLN A 52 -2.829 -5.437 3.216 1.00 0.00 C ATOM 734 CD GLN A 52 -2.246 -4.238 3.937 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.772 -3.128 3.847 1.00 0.00 O ATOM 736 NE2 GLN A 52 -1.152 -4.455 4.659 1.00 0.00 N ATOM 0 H GLN A 52 -3.603 -7.683 1.898 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.132 -6.451 2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.741 -4.773 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.288 -6.369 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.225 -6.317 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.773 -5.272 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.749 -5.391 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.715 -3.686 5.166 1.00 0.00 H new ATOM 745 N LYS A 53 -6.080 -4.552 1.172 1.00 0.00 N ATOM 746 CA LYS A 53 -6.185 -3.628 0.049 1.00 0.00 C ATOM 747 C LYS A 53 -6.558 -2.228 0.529 1.00 0.00 C ATOM 748 O LYS A 53 -7.638 -2.018 1.082 1.00 0.00 O ATOM 749 CB LYS A 53 -7.227 -4.128 -0.954 1.00 0.00 C ATOM 750 CG LYS A 53 -7.486 -3.161 -2.096 1.00 0.00 C ATOM 751 CD LYS A 53 -8.855 -3.383 -2.716 1.00 0.00 C ATOM 752 CE LYS A 53 -8.927 -4.716 -3.445 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.259 -4.658 -4.774 1.00 0.00 N ATOM 0 H LYS A 53 -6.821 -4.457 1.867 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.212 -3.579 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.895 -5.081 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.163 -4.316 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.413 -2.137 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.716 -3.283 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.618 -3.351 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.076 -2.574 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.458 -5.489 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.970 -5.003 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.330 -5.586 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.723 -3.938 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.257 -4.409 -4.648 1.00 0.00 H new ATOM 767 N LEU A 54 -5.658 -1.275 0.314 1.00 0.00 N ATOM 768 CA LEU A 54 -5.892 0.105 0.723 1.00 0.00 C ATOM 769 C LEU A 54 -6.827 0.811 -0.254 1.00 0.00 C ATOM 770 O LEU A 54 -6.751 0.598 -1.464 1.00 0.00 O ATOM 771 CB LEU A 54 -4.567 0.863 0.816 1.00 0.00 C ATOM 772 CG LEU A 54 -3.883 0.853 2.184 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.831 1.365 3.258 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.393 -0.546 2.526 1.00 0.00 C ATOM 0 H LEU A 54 -4.759 -1.433 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.365 0.091 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.878 0.441 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.743 1.899 0.528 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.020 1.518 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.327 1.351 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.133 2.385 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.713 0.726 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.909 -0.533 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.239 -1.232 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.679 -0.876 1.772 1.00 0.00 H new ATOM 786 N ILE A 55 -7.706 1.653 0.280 1.00 0.00 N ATOM 787 CA ILE A 55 -8.653 2.393 -0.545 1.00 0.00 C ATOM 788 C ILE A 55 -8.934 3.772 0.042 1.00 0.00 C ATOM 789 O ILE A 55 -9.422 3.891 1.166 1.00 0.00 O ATOM 790 CB ILE A 55 -9.982 1.631 -0.697 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.718 0.146 -0.955 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.810 2.230 -1.824 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.946 -0.723 -0.796 1.00 0.00 C ATOM 0 H ILE A 55 -7.782 1.840 1.280 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.194 2.506 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.545 1.725 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.326 0.025 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.945 -0.202 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.747 1.681 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.024 3.276 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.254 2.164 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.684 -1.762 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.327 -0.632 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.713 -0.402 -1.501 1.00 0.00 H new ATOM 805 N PHE A 56 -8.625 4.811 -0.726 1.00 0.00 N ATOM 806 CA PHE A 56 -8.845 6.182 -0.282 1.00 0.00 C ATOM 807 C PHE A 56 -9.564 6.993 -1.357 1.00 0.00 C ATOM 808 O PHE A 56 -9.114 7.066 -2.501 1.00 0.00 O ATOM 809 CB PHE A 56 -7.512 6.847 0.068 1.00 0.00 C ATOM 810 CG PHE A 56 -7.662 8.084 0.907 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.309 8.033 2.132 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.156 9.298 0.472 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.448 9.169 2.905 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.292 10.438 1.241 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.939 10.373 2.460 1.00 0.00 C ATOM 0 H PHE A 56 -8.221 4.730 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.474 6.153 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.886 6.130 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.990 7.104 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.709 7.094 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.649 9.354 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.955 9.116 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.893 11.378 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.046 11.262 3.064 1.00 0.00 H new ATOM 825 N LYS A 57 -10.684 7.600 -0.980 1.00 0.00 N ATOM 826 CA LYS A 57 -11.467 8.406 -1.909 1.00 0.00 C ATOM 827 C LYS A 57 -11.873 7.588 -3.131 1.00 0.00 C ATOM 828 O LYS A 57 -11.870 8.090 -4.255 1.00 0.00 O ATOM 829 CB LYS A 57 -10.668 9.636 -2.348 1.00 0.00 C ATOM 830 CG LYS A 57 -10.817 10.823 -1.412 1.00 0.00 C ATOM 831 CD LYS A 57 -10.451 10.456 0.017 1.00 0.00 C ATOM 832 CE LYS A 57 -10.674 11.623 0.967 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.997 11.161 2.345 1.00 0.00 N ATOM 0 H LYS A 57 -11.070 7.549 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.371 8.732 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.614 9.368 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.989 9.930 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.180 11.639 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.844 11.186 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.049 9.604 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.407 10.146 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.780 12.246 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.486 12.246 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.192 11.984 2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.835 10.545 2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.190 10.630 2.731 1.00 0.00 H new ATOM 847 N GLY A 58 -12.223 6.326 -2.904 1.00 0.00 N ATOM 848 CA GLY A 58 -12.628 5.460 -3.995 1.00 0.00 C ATOM 849 C GLY A 58 -11.471 5.094 -4.904 1.00 0.00 C ATOM 850 O GLY A 58 -11.668 4.796 -6.083 1.00 0.00 O ATOM 0 H GLY A 58 -12.233 5.888 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.069 4.550 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.403 5.955 -4.580 1.00 0.00 H new ATOM 854 N LYS A 59 -10.261 5.118 -4.358 1.00 0.00 N ATOM 855 CA LYS A 59 -9.067 4.786 -5.126 1.00 0.00 C ATOM 856 C LYS A 59 -8.233 3.730 -4.408 1.00 0.00 C ATOM 857 O LYS A 59 -7.797 3.935 -3.275 1.00 0.00 O ATOM 858 CB LYS A 59 -8.224 6.041 -5.365 1.00 0.00 C ATOM 859 CG LYS A 59 -8.812 6.981 -6.403 1.00 0.00 C ATOM 860 CD LYS A 59 -8.449 6.549 -7.814 1.00 0.00 C ATOM 861 CE LYS A 59 -8.951 7.545 -8.849 1.00 0.00 C ATOM 862 NZ LYS A 59 -8.176 8.816 -8.817 1.00 0.00 N ATOM 0 H LYS A 59 -10.081 5.364 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.385 4.380 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.112 6.578 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.225 5.742 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.897 7.009 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.448 7.993 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.367 6.450 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.876 5.567 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.882 7.102 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.005 7.757 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.443 9.406 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.383 9.327 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.159 8.604 -8.863 1.00 0.00 H new ATOM 876 N SER A 60 -8.013 2.602 -5.075 1.00 0.00 N ATOM 877 CA SER A 60 -7.233 1.513 -4.499 1.00 0.00 C ATOM 878 C SER A 60 -5.747 1.855 -4.490 1.00 0.00 C ATOM 879 O SER A 60 -5.121 1.983 -5.543 1.00 0.00 O ATOM 880 CB SER A 60 -7.466 0.220 -5.283 1.00 0.00 C ATOM 881 OG SER A 60 -7.656 0.487 -6.662 1.00 0.00 O ATOM 0 H SER A 60 -8.364 2.418 -6.015 1.00 0.00 H new ATOM 0 HA SER A 60 -7.561 1.369 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.614 -0.447 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.339 -0.298 -4.886 1.00 0.00 H new ATOM 0 HG SER A 60 -7.801 -0.355 -7.141 1.00 0.00 H new ATOM 887 N LEU A 61 -5.187 2.001 -3.294 1.00 0.00 N ATOM 888 CA LEU A 61 -3.773 2.329 -3.146 1.00 0.00 C ATOM 889 C LEU A 61 -2.901 1.104 -3.400 1.00 0.00 C ATOM 890 O LEU A 61 -2.667 0.297 -2.501 1.00 0.00 O ATOM 891 CB LEU A 61 -3.501 2.880 -1.745 1.00 0.00 C ATOM 892 CG LEU A 61 -4.508 3.904 -1.219 1.00 0.00 C ATOM 893 CD1 LEU A 61 -3.985 4.568 0.044 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.814 4.947 -2.285 1.00 0.00 C ATOM 0 H LEU A 61 -5.690 1.897 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.523 3.091 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.466 2.043 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.512 3.338 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.433 3.382 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.715 5.293 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.818 3.811 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.046 5.077 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.532 5.667 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.895 5.464 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.234 4.457 -3.164 1.00 0.00 H new ATOM 906 N LYS A 62 -2.421 0.972 -4.632 1.00 0.00 N ATOM 907 CA LYS A 62 -1.571 -0.153 -5.006 1.00 0.00 C ATOM 908 C LYS A 62 -0.101 0.256 -5.017 1.00 0.00 C ATOM 909 O LYS A 62 0.782 -0.564 -4.770 1.00 0.00 O ATOM 910 CB LYS A 62 -1.972 -0.686 -6.383 1.00 0.00 C ATOM 911 CG LYS A 62 -1.858 0.345 -7.492 1.00 0.00 C ATOM 912 CD LYS A 62 -2.885 0.103 -8.586 1.00 0.00 C ATOM 913 CE LYS A 62 -4.172 0.869 -8.322 1.00 0.00 C ATOM 914 NZ LYS A 62 -3.975 2.341 -8.440 1.00 0.00 N ATOM 0 H LYS A 62 -2.606 1.630 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.706 -0.940 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.344 -1.542 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.000 -1.047 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.995 1.344 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.856 0.312 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.471 0.405 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.102 -0.963 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.938 0.547 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.539 0.630 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.289 2.805 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.968 2.545 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.531 2.703 -9.241 1.00 0.00 H new ATOM 928 N GLU A 63 0.152 1.529 -5.303 1.00 0.00 N ATOM 929 CA GLU A 63 1.516 2.046 -5.344 1.00 0.00 C ATOM 930 C GLU A 63 2.052 2.279 -3.935 1.00 0.00 C ATOM 931 O GLU A 63 1.389 2.896 -3.101 1.00 0.00 O ATOM 932 CB GLU A 63 1.567 3.349 -6.144 1.00 0.00 C ATOM 933 CG GLU A 63 2.897 3.585 -6.839 1.00 0.00 C ATOM 934 CD GLU A 63 3.066 2.731 -8.080 1.00 0.00 C ATOM 935 OE1 GLU A 63 2.539 1.599 -8.099 1.00 0.00 O ATOM 936 OE2 GLU A 63 3.726 3.195 -9.033 1.00 0.00 O ATOM 0 H GLU A 63 -0.568 2.221 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 63 2.145 1.303 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.773 3.338 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.363 4.185 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.978 4.637 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.709 3.373 -6.143 1.00 0.00 H new ATOM 943 N MET A 64 3.257 1.780 -3.677 1.00 0.00 N ATOM 944 CA MET A 64 3.883 1.935 -2.369 1.00 0.00 C ATOM 945 C MET A 64 4.847 3.117 -2.364 1.00 0.00 C ATOM 946 O MET A 64 4.963 3.830 -1.367 1.00 0.00 O ATOM 947 CB MET A 64 4.626 0.655 -1.981 1.00 0.00 C ATOM 948 CG MET A 64 3.772 -0.599 -2.087 1.00 0.00 C ATOM 949 SD MET A 64 2.894 -0.972 -0.557 1.00 0.00 S ATOM 950 CE MET A 64 1.194 -0.795 -1.090 1.00 0.00 C ATOM 0 H MET A 64 3.819 1.266 -4.356 1.00 0.00 H new ATOM 0 HA MET A 64 3.097 2.127 -1.638 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.501 0.544 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.990 0.752 -0.958 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.050 -0.475 -2.895 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.406 -1.445 -2.353 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.557 -0.623 -0.223 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.113 0.050 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.876 -1.705 -1.599 1.00 0.00 H new ATOM 960 N GLU A 65 5.535 3.319 -3.483 1.00 0.00 N ATOM 961 CA GLU A 65 6.489 4.415 -3.605 1.00 0.00 C ATOM 962 C GLU A 65 5.769 5.758 -3.668 1.00 0.00 C ATOM 963 O GLU A 65 6.402 6.815 -3.691 1.00 0.00 O ATOM 964 CB GLU A 65 7.356 4.229 -4.852 1.00 0.00 C ATOM 965 CG GLU A 65 8.350 3.086 -4.738 1.00 0.00 C ATOM 966 CD GLU A 65 9.557 3.444 -3.892 1.00 0.00 C ATOM 967 OE1 GLU A 65 10.547 3.955 -4.455 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.510 3.212 -2.665 1.00 0.00 O ATOM 0 H GLU A 65 5.450 2.739 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 65 7.128 4.407 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.709 4.052 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.899 5.153 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.852 2.218 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.683 2.798 -5.735 1.00 0.00 H new ATOM 975 N THR A 66 4.441 5.711 -3.696 1.00 0.00 N ATOM 976 CA THR A 66 3.634 6.923 -3.758 1.00 0.00 C ATOM 977 C THR A 66 3.455 7.535 -2.374 1.00 0.00 C ATOM 978 O THR A 66 3.073 6.863 -1.415 1.00 0.00 O ATOM 979 CB THR A 66 2.247 6.643 -4.367 1.00 0.00 C ATOM 980 OG1 THR A 66 2.373 6.363 -5.765 1.00 0.00 O ATOM 981 CG2 THR A 66 1.318 7.831 -4.165 1.00 0.00 C ATOM 0 H THR A 66 3.901 4.846 -3.677 1.00 0.00 H new ATOM 0 HA THR A 66 4.168 7.627 -4.397 1.00 0.00 H new ATOM 0 HB THR A 66 1.820 5.777 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.484 6.342 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.345 7.610 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.201 8.024 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.742 8.711 -4.648 1.00 0.00 H new ATOM 989 N PRO A 67 3.736 8.842 -2.263 1.00 0.00 N ATOM 990 CA PRO A 67 3.611 9.575 -0.999 1.00 0.00 C ATOM 991 C PRO A 67 2.158 9.751 -0.572 1.00 0.00 C ATOM 992 O PRO A 67 1.330 10.245 -1.339 1.00 0.00 O ATOM 993 CB PRO A 67 4.245 10.933 -1.313 1.00 0.00 C ATOM 994 CG PRO A 67 4.093 11.091 -2.786 1.00 0.00 C ATOM 995 CD PRO A 67 4.196 9.706 -3.364 1.00 0.00 C ATOM 0 HA PRO A 67 4.087 9.047 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.744 11.738 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.294 10.958 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.134 11.546 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.868 11.741 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.572 9.593 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.218 9.469 -3.661 1.00 0.00 H new ATOM 1003 N LEU A 68 1.854 9.344 0.656 1.00 0.00 N ATOM 1004 CA LEU A 68 0.500 9.458 1.186 1.00 0.00 C ATOM 1005 C LEU A 68 -0.048 10.867 0.983 1.00 0.00 C ATOM 1006 O LEU A 68 -1.261 11.073 0.954 1.00 0.00 O ATOM 1007 CB LEU A 68 0.481 9.100 2.673 1.00 0.00 C ATOM 1008 CG LEU A 68 0.957 7.692 3.031 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.538 7.665 4.436 1.00 0.00 C ATOM 1010 CD2 LEU A 68 -0.187 6.695 2.905 1.00 0.00 C ATOM 0 H LEU A 68 2.527 8.932 1.303 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.136 8.759 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.103 9.819 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.537 9.223 3.043 1.00 0.00 H new ATOM 0 HG LEU A 68 1.742 7.405 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.871 6.655 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.385 8.349 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.775 7.972 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.169 5.698 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.993 6.979 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.557 6.694 1.880 1.00 0.00 H new ATOM 1022 N SER A 69 0.854 11.832 0.841 1.00 0.00 N ATOM 1023 CA SER A 69 0.461 13.222 0.642 1.00 0.00 C ATOM 1024 C SER A 69 -0.255 13.399 -0.693 1.00 0.00 C ATOM 1025 O SER A 69 -1.264 14.098 -0.781 1.00 0.00 O ATOM 1026 CB SER A 69 1.688 14.135 0.700 1.00 0.00 C ATOM 1027 OG SER A 69 1.379 15.435 0.229 1.00 0.00 O ATOM 0 H SER A 69 1.862 11.677 0.860 1.00 0.00 H new ATOM 0 HA SER A 69 -0.226 13.497 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.053 14.194 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.491 13.709 0.099 1.00 0.00 H new ATOM 0 HG SER A 69 2.179 15.999 0.278 1.00 0.00 H new ATOM 1033 N ALA A 70 0.274 12.759 -1.731 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.315 12.842 -3.061 1.00 0.00 C ATOM 1035 C ALA A 70 -1.706 12.218 -3.086 1.00 0.00 C ATOM 1036 O ALA A 70 -2.608 12.713 -3.763 1.00 0.00 O ATOM 1037 CB ALA A 70 0.589 12.165 -4.082 1.00 0.00 C ATOM 0 H ALA A 70 1.110 12.177 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.414 13.896 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.137 12.235 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.561 12.659 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.718 11.116 -3.815 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.873 11.128 -2.346 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.155 10.434 -2.284 1.00 0.00 C ATOM 1045 C LEU A 71 -4.186 11.264 -1.525 1.00 0.00 C ATOM 1046 O LEU A 71 -5.390 11.052 -1.662 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.987 9.070 -1.613 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.022 8.100 -2.295 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.512 7.067 -1.303 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.698 7.419 -3.476 1.00 0.00 C ATOM 0 H LEU A 71 -1.137 10.705 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.512 10.288 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.647 9.230 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.966 8.594 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.169 8.668 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.827 6.386 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.990 7.571 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.353 6.503 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.997 6.732 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.569 6.865 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.013 8.172 -4.199 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.705 12.211 -0.726 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.598 13.060 0.040 1.00 0.00 C ATOM 1064 C GLY A 72 -4.678 12.651 1.498 1.00 0.00 C ATOM 1065 O GLY A 72 -5.432 13.238 2.273 1.00 0.00 O ATOM 0 H GLY A 72 -2.712 12.405 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.258 14.093 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.595 13.024 -0.400 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.899 11.641 1.870 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.886 11.154 3.244 1.00 0.00 C ATOM 1071 C ILE A 73 -2.893 11.938 4.096 1.00 0.00 C ATOM 1072 O ILE A 73 -1.797 12.267 3.644 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.528 9.657 3.308 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.622 8.820 2.640 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.327 9.221 4.751 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -4.140 7.471 2.157 1.00 0.00 C ATOM 0 H ILE A 73 -3.269 11.144 1.240 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.892 11.296 3.638 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.594 9.499 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.439 8.673 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.028 9.376 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.075 8.161 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.517 9.799 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.245 9.390 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.968 6.933 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.344 7.610 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.761 6.896 3.002 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.286 12.233 5.331 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.430 12.979 6.246 1.00 0.00 C ATOM 1090 C GLN A 74 -2.759 12.640 7.697 1.00 0.00 C ATOM 1091 O GLN A 74 -3.765 11.989 7.979 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.585 14.482 6.013 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.749 15.008 4.858 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.934 16.496 4.633 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.622 16.914 3.702 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.318 17.305 5.487 1.00 0.00 N ATOM 0 H GLN A 74 -4.190 11.967 5.721 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.396 12.694 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.635 14.705 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.307 15.013 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.697 14.802 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.015 14.471 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.757 16.915 6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.405 18.316 5.385 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.905 13.086 8.611 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.105 12.831 10.033 1.00 0.00 C ATOM 1107 C ASP A 75 -3.483 13.308 10.481 1.00 0.00 C ATOM 1108 O ASP A 75 -3.698 14.499 10.702 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.019 13.526 10.855 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.839 14.980 10.466 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.413 15.240 9.320 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.125 15.859 11.306 1.00 0.00 O ATOM 0 H ASP A 75 -1.068 13.626 8.393 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.041 11.755 10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.274 13.465 11.913 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.074 12.998 10.723 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.415 12.368 10.614 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.761 12.711 11.034 1.00 0.00 C ATOM 1119 C GLY A 76 -6.803 12.349 9.994 1.00 0.00 C ATOM 1120 O GLY A 76 -7.758 13.095 9.777 1.00 0.00 O ATOM 0 H GLY A 76 -4.261 11.375 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.989 12.196 11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.813 13.780 11.239 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.619 11.202 9.349 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.550 10.744 8.324 1.00 0.00 C ATOM 1126 C CYS A 77 -7.949 9.291 8.563 1.00 0.00 C ATOM 1127 O CYS A 77 -7.301 8.577 9.328 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.926 10.892 6.936 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.864 12.596 6.333 1.00 0.00 S ATOM 0 H CYS A 77 -5.834 10.573 9.518 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.446 11.362 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.913 10.489 6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.493 10.288 6.228 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.318 12.619 5.153 1.00 0.00 H new ATOM 1135 N ARG A 78 -9.021 8.862 7.905 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.509 7.495 8.049 1.00 0.00 C ATOM 1137 C ARG A 78 -9.509 6.775 6.704 1.00 0.00 C ATOM 1138 O ARG A 78 -10.282 7.113 5.806 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.919 7.494 8.641 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.942 7.468 10.160 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.228 8.067 10.709 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.192 9.527 10.717 1.00 0.00 N ATOM 1143 CZ ARG A 78 -12.979 10.277 11.480 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -13.859 9.708 12.292 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.887 11.600 11.432 1.00 0.00 N ATOM 0 H ARG A 78 -9.568 9.440 7.267 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.839 6.965 8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.450 8.380 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.462 6.628 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.840 6.440 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.087 8.022 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.071 7.729 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.394 7.703 11.723 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.526 9.996 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.933 8.691 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.462 10.287 12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.211 12.042 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.492 12.175 12.018 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.638 5.780 6.571 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.538 5.011 5.336 1.00 0.00 C ATOM 1161 C VAL A 79 -9.222 3.655 5.476 1.00 0.00 C ATOM 1162 O VAL A 79 -9.259 3.077 6.561 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.069 4.793 4.928 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.987 4.030 3.614 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.342 6.125 4.826 1.00 0.00 C ATOM 0 H VAL A 79 -7.991 5.487 7.303 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.040 5.590 4.561 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.581 4.196 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.941 3.885 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.470 3.059 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.490 4.598 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.305 5.952 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.829 6.749 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.370 6.630 5.792 1.00 0.00 H new ATOM 1175 N MET A 80 -9.762 3.154 4.370 1.00 0.00 N ATOM 1176 CA MET A 80 -10.443 1.865 4.369 1.00 0.00 C ATOM 1177 C MET A 80 -9.482 0.742 3.991 1.00 0.00 C ATOM 1178 O MET A 80 -8.570 0.937 3.187 1.00 0.00 O ATOM 1179 CB MET A 80 -11.625 1.889 3.398 1.00 0.00 C ATOM 1180 CG MET A 80 -12.280 0.531 3.205 1.00 0.00 C ATOM 1181 SD MET A 80 -13.576 0.207 4.416 1.00 0.00 S ATOM 1182 CE MET A 80 -14.388 -1.206 3.673 1.00 0.00 C ATOM 0 H MET A 80 -9.741 3.621 3.463 1.00 0.00 H new ATOM 0 HA MET A 80 -10.814 1.678 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.371 2.594 3.764 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.283 2.259 2.431 1.00 0.00 H new ATOM 0 HG2 MET A 80 -12.703 0.475 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.520 -0.248 3.274 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.215 -1.525 4.307 1.00 0.00 H new ATOM 0 HE2 MET A 80 -14.769 -0.931 2.690 1.00 0.00 H new ATOM 0 HE3 MET A 80 -13.674 -2.023 3.570 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.692 -0.432 4.576 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.843 -1.586 4.301 1.00 0.00 C ATOM 1194 C LEU A 81 -9.675 -2.860 4.193 1.00 0.00 C ATOM 1195 O LEU A 81 -10.419 -3.207 5.111 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.790 -1.743 5.399 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.800 -2.895 5.220 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.885 -2.633 4.034 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.986 -3.101 6.489 1.00 0.00 C ATOM 0 H LEU A 81 -10.442 -0.610 5.243 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.342 -1.419 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.226 -0.813 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.304 -1.877 6.351 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.364 -3.806 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.188 -3.463 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.483 -2.537 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.328 -1.711 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.287 -3.925 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.432 -2.191 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.655 -3.336 7.317 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.543 -3.553 3.067 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.280 -4.791 2.841 1.00 0.00 C ATOM 1213 C ILE A 82 -9.357 -6.002 2.917 1.00 0.00 C ATOM 1214 O ILE A 82 -8.322 -6.050 2.253 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.986 -4.783 1.472 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.970 -3.614 1.389 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.704 -6.104 1.239 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.759 -3.579 0.098 1.00 0.00 C ATOM 0 H ILE A 82 -8.933 -3.279 2.297 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.031 -4.860 3.628 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.235 -4.658 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.664 -3.673 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.420 -2.679 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.198 -6.083 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.981 -6.920 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.448 -6.257 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.436 -2.725 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.074 -3.489 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.336 -4.498 -0.001 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.740 -6.981 3.731 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.937 -8.181 3.878 1.00 0.00 C ATOM 1232 C GLY A 83 -9.430 -9.075 4.997 1.00 0.00 C ATOM 1233 O GLY A 83 -10.345 -8.711 5.736 1.00 0.00 O ATOM 0 H GLY A 83 -10.592 -6.964 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.947 -8.738 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.902 -7.900 4.071 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.824 -10.251 5.124 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.207 -11.202 6.161 1.00 0.00 C ATOM 1239 C LYS A 84 -8.108 -11.334 7.210 1.00 0.00 C ATOM 1240 O LYS A 84 -6.942 -11.551 6.880 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.503 -12.570 5.543 1.00 0.00 C ATOM 1242 CG LYS A 84 -8.319 -13.176 4.810 1.00 0.00 C ATOM 1243 CD LYS A 84 -8.718 -14.425 4.042 1.00 0.00 C ATOM 1244 CE LYS A 84 -8.570 -15.676 4.894 1.00 0.00 C ATOM 1245 NZ LYS A 84 -9.525 -15.685 6.037 1.00 0.00 N ATOM 0 H LYS A 84 -8.065 -10.568 4.521 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.107 -10.828 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.821 -13.254 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.338 -12.473 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.902 -12.442 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.535 -13.423 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.751 -14.332 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.100 -14.517 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.735 -16.558 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.550 -15.739 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.693 -16.665 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.125 -15.141 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.425 -15.255 5.741 1.00 0.00 H new ATOM 1259 N LYS A 85 -8.486 -11.203 8.477 1.00 0.00 N ATOM 1260 CA LYS A 85 -7.534 -11.310 9.576 1.00 0.00 C ATOM 1261 C LYS A 85 -6.895 -12.694 9.609 1.00 0.00 C ATOM 1262 O LYS A 85 -7.532 -13.673 9.996 1.00 0.00 O ATOM 1263 CB LYS A 85 -8.229 -11.025 10.910 1.00 0.00 C ATOM 1264 CG LYS A 85 -8.652 -9.576 11.078 1.00 0.00 C ATOM 1265 CD LYS A 85 -8.707 -9.178 12.543 1.00 0.00 C ATOM 1266 CE LYS A 85 -8.516 -7.679 12.721 1.00 0.00 C ATOM 1267 NZ LYS A 85 -9.201 -7.174 13.943 1.00 0.00 N ATOM 0 H LYS A 85 -9.447 -11.022 8.768 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.749 -10.570 9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.108 -11.664 10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.558 -11.296 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.952 -8.928 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.631 -9.427 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.666 -9.476 12.966 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.934 -9.712 13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.451 -7.453 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.903 -7.157 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.149 -6.136 13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.198 -7.470 13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.736 -7.563 14.788 1.00 0.00 H new ATOM 1281 N ASN A 86 -5.632 -12.768 9.202 1.00 0.00 N ATOM 1282 CA ASN A 86 -4.906 -14.033 9.186 1.00 0.00 C ATOM 1283 C ASN A 86 -3.576 -13.906 9.922 1.00 0.00 C ATOM 1284 O ASN A 86 -2.534 -13.676 9.307 1.00 0.00 O ATOM 1285 CB ASN A 86 -4.664 -14.488 7.745 1.00 0.00 C ATOM 1286 CG ASN A 86 -3.518 -15.475 7.636 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -3.639 -16.631 8.043 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -2.398 -15.023 7.084 1.00 0.00 N ATOM 0 H ASN A 86 -5.090 -11.967 8.879 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.514 -14.779 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.573 -14.946 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.452 -13.618 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.593 -15.642 6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.342 -14.057 6.761 1.00 0.00 H new ATOM 1295 N SER A 87 -3.619 -14.057 11.242 1.00 0.00 N ATOM 1296 CA SER A 87 -2.417 -13.957 12.062 1.00 0.00 C ATOM 1297 C SER A 87 -1.302 -14.833 11.501 1.00 0.00 C ATOM 1298 O SER A 87 -1.538 -15.964 11.078 1.00 0.00 O ATOM 1299 CB SER A 87 -2.724 -14.363 13.505 1.00 0.00 C ATOM 1300 OG SER A 87 -1.799 -13.780 14.406 1.00 0.00 O ATOM 0 H SER A 87 -4.473 -14.249 11.766 1.00 0.00 H new ATOM 0 HA SER A 87 -2.082 -12.920 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.736 -14.053 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.690 -15.449 13.596 1.00 0.00 H new ATOM 0 HG SER A 87 -2.017 -14.053 15.321 1.00 0.00 H new ATOM 1306 N GLY A 88 -0.083 -14.301 11.501 1.00 0.00 N ATOM 1307 CA GLY A 88 1.052 -15.047 10.990 1.00 0.00 C ATOM 1308 C GLY A 88 2.217 -15.066 11.960 1.00 0.00 C ATOM 1309 O GLY A 88 3.176 -14.305 11.826 1.00 0.00 O ATOM 0 H GLY A 88 0.138 -13.367 11.846 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.744 -16.071 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.376 -14.608 10.046 1.00 0.00 H new ATOM 1313 N PRO A 89 2.142 -15.952 12.964 1.00 0.00 N ATOM 1314 CA PRO A 89 3.190 -16.088 13.980 1.00 0.00 C ATOM 1315 C PRO A 89 4.472 -16.690 13.414 1.00 0.00 C ATOM 1316 O PRO A 89 4.436 -17.461 12.455 1.00 0.00 O ATOM 1317 CB PRO A 89 2.565 -17.032 15.010 1.00 0.00 C ATOM 1318 CG PRO A 89 1.559 -17.818 14.242 1.00 0.00 C ATOM 1319 CD PRO A 89 1.029 -16.891 13.184 1.00 0.00 C ATOM 0 HA PRO A 89 3.487 -15.123 14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.316 -17.682 15.459 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.097 -16.477 15.823 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.013 -18.702 13.794 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.757 -18.167 14.893 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.771 -17.429 12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.128 -16.375 13.516 1.00 0.00 H new ATOM 1327 N SER A 90 5.603 -16.333 14.014 1.00 0.00 N ATOM 1328 CA SER A 90 6.897 -16.835 13.568 1.00 0.00 C ATOM 1329 C SER A 90 7.965 -16.609 14.633 1.00 0.00 C ATOM 1330 O SER A 90 8.406 -15.482 14.856 1.00 0.00 O ATOM 1331 CB SER A 90 7.310 -16.153 12.262 1.00 0.00 C ATOM 1332 OG SER A 90 7.639 -14.792 12.481 1.00 0.00 O ATOM 0 H SER A 90 5.649 -15.698 14.811 1.00 0.00 H new ATOM 0 HA SER A 90 6.803 -17.907 13.396 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.166 -16.673 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.498 -16.222 11.539 1.00 0.00 H new ATOM 0 HG SER A 90 7.876 -14.660 13.423 1.00 0.00 H new ATOM 1338 N SER A 91 8.375 -17.690 15.290 1.00 0.00 N ATOM 1339 CA SER A 91 9.388 -17.610 16.335 1.00 0.00 C ATOM 1340 C SER A 91 10.218 -18.890 16.387 1.00 0.00 C ATOM 1341 O SER A 91 9.697 -19.988 16.200 1.00 0.00 O ATOM 1342 CB SER A 91 8.731 -17.360 17.694 1.00 0.00 C ATOM 1343 OG SER A 91 8.551 -15.973 17.926 1.00 0.00 O ATOM 0 H SER A 91 8.021 -18.631 15.117 1.00 0.00 H new ATOM 0 HA SER A 91 10.051 -16.777 16.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.767 -17.867 17.734 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.349 -17.787 18.484 1.00 0.00 H new ATOM 0 HG SER A 91 8.452 -15.508 17.069 1.00 0.00 H new ATOM 1349 N GLY A 92 11.514 -18.738 16.642 1.00 0.00 N ATOM 1350 CA GLY A 92 12.395 -19.888 16.714 1.00 0.00 C ATOM 1351 C GLY A 92 12.647 -20.338 18.139 1.00 0.00 C ATOM 1352 O GLY A 92 13.494 -19.776 18.834 1.00 0.00 O ATOM 0 H GLY A 92 11.969 -17.839 16.800 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.959 -20.711 16.148 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.346 -19.644 16.240 1.00 0.00 H new TER 1356 GLY A 92