USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -1.13 K(o=-4.5,f=-8.4) USER MOD Set 1.2: A 90 HIS :FLIP no HD1:sc= -3.38! C(o=-5.2!,f=-4.5!) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -10.3! C(o=-12!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.43 USER MOD Set 3.1: A 32 THR OG1 : rot -38:sc= 0.322 USER MOD Set 3.2: A 89 GLN : amide:sc= -0.619! X(o=-0.3!,f=-0.41) USER MOD Set 4.1: A 10 MET CE :methyl 155:sc= -11.4! (180deg=-10.9!) USER MOD Set 4.2: A 70 MET CE :methyl 164:sc= -4.42! (180deg=-5.26!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.618 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.92! F(o=-2.7,f=-1.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.7! C(o=-2.7!,f=-2.5!) USER MOD Single : A 33 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.664 F(o=-1.5,f=-0.66) USER MOD Single : A 42 ASN : amide:sc= -2.38 K(o=-2.4,f=-7.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.292 X(o=-0.29,f=0.025) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.113 USER MOD Single : A 56 THR OG1 : rot -101:sc= 0.657 USER MOD Single : A 60 ASN : amide:sc= -0.51 K(o=-0.51,f=-4.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.039 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 67 SER OG : rot 137:sc= 0.222 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.4) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0294 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.748 -4.191 -7.496 1.00 0.00 N ATOM 32 CA LEU A 3 -0.285 -4.304 -6.464 1.00 0.00 C ATOM 33 C LEU A 3 -1.472 -5.144 -6.928 1.00 0.00 C ATOM 34 O LEU A 3 -2.222 -4.744 -7.818 1.00 0.00 O ATOM 35 CB LEU A 3 -0.767 -2.914 -6.051 1.00 0.00 C ATOM 36 CG LEU A 3 -1.870 -2.896 -4.992 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.818 -1.606 -4.189 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.234 -3.067 -5.640 1.00 0.00 C ATOM 0 HA LEU A 3 0.164 -4.809 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.085 -2.348 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.128 -2.394 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.706 -3.731 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.610 -1.611 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.851 -1.525 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.956 -0.756 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.007 -3.052 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.407 -2.253 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.268 -4.019 -6.170 1.00 0.00 H new ATOM 44 N ASN A 4 -1.649 -6.303 -6.304 1.00 0.00 N ATOM 45 CA ASN A 4 -2.759 -7.187 -6.645 1.00 0.00 C ATOM 46 C ASN A 4 -3.968 -6.895 -5.760 1.00 0.00 C ATOM 47 O ASN A 4 -3.826 -6.407 -4.637 1.00 0.00 O ATOM 48 CB ASN A 4 -2.350 -8.654 -6.502 1.00 0.00 C ATOM 49 CG ASN A 4 -0.915 -8.908 -6.922 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.451 -8.389 -7.937 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.203 -9.711 -6.139 1.00 0.00 N ATOM 0 H ASN A 4 -1.042 -6.652 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.029 -7.001 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.480 -8.963 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.015 -9.272 -7.105 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.769 -9.919 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.628 -10.120 -5.307 1.00 0.00 H new ATOM 56 N ILE A 5 -5.156 -7.187 -6.276 1.00 0.00 N ATOM 57 CA ILE A 5 -6.390 -6.945 -5.537 1.00 0.00 C ATOM 58 C ILE A 5 -7.249 -8.202 -5.469 1.00 0.00 C ATOM 59 O ILE A 5 -7.316 -8.974 -6.425 1.00 0.00 O ATOM 60 CB ILE A 5 -7.224 -5.806 -6.167 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.331 -4.651 -6.615 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.258 -5.297 -5.169 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.388 -4.979 -7.742 1.00 0.00 C ATOM 0 H ILE A 5 -5.291 -7.591 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.092 -6.651 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.732 -6.209 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.965 -3.819 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.747 -4.309 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.839 -4.495 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.924 -6.113 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.751 -4.919 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.796 -4.098 -7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.724 -5.788 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.960 -5.289 -8.616 1.00 0.00 H new ATOM 67 N THR A 6 -7.911 -8.395 -4.334 1.00 0.00 N ATOM 68 CA THR A 6 -8.776 -9.553 -4.137 1.00 0.00 C ATOM 69 C THR A 6 -10.242 -9.136 -4.153 1.00 0.00 C ATOM 70 O THR A 6 -10.989 -9.487 -5.065 1.00 0.00 O ATOM 71 CB THR A 6 -8.443 -10.248 -2.815 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.048 -10.228 -2.574 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.896 -11.691 -2.765 1.00 0.00 C ATOM 0 H THR A 6 -7.865 -7.763 -3.534 1.00 0.00 H new ATOM 0 HA THR A 6 -8.604 -10.252 -4.956 1.00 0.00 H new ATOM 0 HB THR A 6 -8.984 -9.688 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.856 -10.676 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.628 -12.123 -1.801 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.977 -11.738 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.409 -12.253 -3.562 1.00 0.00 H new ATOM 78 N SER A 7 -10.643 -8.377 -3.137 1.00 0.00 N ATOM 79 CA SER A 7 -12.017 -7.898 -3.024 1.00 0.00 C ATOM 80 C SER A 7 -13.018 -9.046 -3.154 1.00 0.00 C ATOM 81 O SER A 7 -13.311 -9.508 -4.257 1.00 0.00 O ATOM 82 CB SER A 7 -12.295 -6.828 -4.081 1.00 0.00 C ATOM 83 OG SER A 7 -11.152 -6.017 -4.296 1.00 0.00 O ATOM 0 H SER A 7 -10.032 -8.079 -2.376 1.00 0.00 H new ATOM 0 HA SER A 7 -12.139 -7.458 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.589 -7.304 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.132 -6.206 -3.763 1.00 0.00 H new ATOM 0 HG SER A 7 -11.354 -5.342 -4.977 1.00 0.00 H new ATOM 89 N LYS A 8 -13.529 -9.505 -2.015 1.00 0.00 N ATOM 90 CA LYS A 8 -14.486 -10.608 -1.987 1.00 0.00 C ATOM 91 C LYS A 8 -15.803 -10.250 -2.678 1.00 0.00 C ATOM 92 O LYS A 8 -16.355 -11.057 -3.426 1.00 0.00 O ATOM 93 CB LYS A 8 -14.752 -11.040 -0.539 1.00 0.00 C ATOM 94 CG LYS A 8 -15.704 -10.124 0.217 1.00 0.00 C ATOM 95 CD LYS A 8 -15.535 -10.266 1.721 1.00 0.00 C ATOM 96 CE LYS A 8 -15.961 -11.644 2.202 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.282 -11.649 3.656 1.00 0.00 N ATOM 0 H LYS A 8 -13.296 -9.129 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.043 -11.436 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.162 -12.050 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.804 -11.082 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.524 -9.089 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.732 -10.358 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.493 -10.092 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.126 -9.504 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.833 -11.973 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.164 -12.360 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.568 -12.606 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.443 -11.360 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.060 -10.984 3.842 1.00 0.00 H new ATOM 111 N GLN A 9 -16.311 -9.049 -2.417 1.00 0.00 N ATOM 112 CA GLN A 9 -17.572 -8.614 -3.012 1.00 0.00 C ATOM 113 C GLN A 9 -17.338 -7.638 -4.167 1.00 0.00 C ATOM 114 O GLN A 9 -17.134 -8.060 -5.305 1.00 0.00 O ATOM 115 CB GLN A 9 -18.488 -7.990 -1.952 1.00 0.00 C ATOM 116 CG GLN A 9 -17.745 -7.305 -0.816 1.00 0.00 C ATOM 117 CD GLN A 9 -18.670 -6.519 0.092 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.204 -5.415 -0.418 1.00 0.00 O flip ATOM 119 NE2 GLN A 9 -18.903 -6.901 1.239 1.00 0.00 N flip ATOM 0 H GLN A 9 -15.873 -8.363 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.067 -9.496 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.142 -7.264 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.128 -8.768 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.215 -8.055 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.992 -6.635 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.471 -7.756 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.528 -6.363 1.839 1.00 0.00 H new ATOM 126 N MET A 10 -17.373 -6.336 -3.880 1.00 0.00 N ATOM 127 CA MET A 10 -17.168 -5.329 -4.916 1.00 0.00 C ATOM 128 C MET A 10 -15.890 -5.606 -5.696 1.00 0.00 C ATOM 129 O MET A 10 -14.785 -5.401 -5.194 1.00 0.00 O ATOM 130 CB MET A 10 -17.123 -3.927 -4.314 1.00 0.00 C ATOM 131 CG MET A 10 -16.150 -3.778 -3.158 1.00 0.00 C ATOM 132 SD MET A 10 -15.392 -2.143 -3.109 1.00 0.00 S ATOM 133 CE MET A 10 -14.961 -2.019 -1.377 1.00 0.00 C ATOM 0 H MET A 10 -17.540 -5.959 -2.947 1.00 0.00 H new ATOM 0 HA MET A 10 -18.013 -5.383 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.853 -3.217 -5.095 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.122 -3.659 -3.970 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.673 -3.962 -2.220 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.370 -4.535 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.131 -1.323 -1.258 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.821 -1.658 -0.813 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.669 -3.000 -1.004 1.00 0.00 H new ATOM 143 N ASP A 11 -16.049 -6.082 -6.924 1.00 0.00 N ATOM 144 CA ASP A 11 -14.908 -6.399 -7.770 1.00 0.00 C ATOM 145 C ASP A 11 -14.016 -5.179 -7.972 1.00 0.00 C ATOM 146 O ASP A 11 -14.198 -4.150 -7.323 1.00 0.00 O ATOM 147 CB ASP A 11 -15.380 -6.932 -9.124 1.00 0.00 C ATOM 148 CG ASP A 11 -16.439 -8.008 -8.984 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.334 -8.826 -8.048 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.375 -8.031 -9.812 1.00 0.00 O ATOM 0 H ASP A 11 -16.957 -6.257 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.324 -7.170 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.779 -6.109 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.527 -7.334 -9.670 1.00 0.00 H new ATOM 155 N ILE A 12 -13.051 -5.303 -8.878 1.00 0.00 N ATOM 156 CA ILE A 12 -12.132 -4.206 -9.163 1.00 0.00 C ATOM 157 C ILE A 12 -12.504 -3.506 -10.463 1.00 0.00 C ATOM 158 O ILE A 12 -12.999 -4.128 -11.403 1.00 0.00 O ATOM 159 CB ILE A 12 -10.652 -4.665 -9.256 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.521 -6.181 -9.065 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.798 -3.928 -8.229 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.919 -6.656 -7.684 1.00 0.00 C ATOM 0 H ILE A 12 -12.885 -6.148 -9.425 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.225 -3.518 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.293 -4.421 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.140 -6.687 -9.806 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.489 -6.475 -9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.764 -4.262 -8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.848 -2.855 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.171 -4.139 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.800 -7.738 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.284 -6.179 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.960 -6.394 -7.495 1.00 0.00 H new ATOM 166 N THR A 13 -12.256 -2.206 -10.502 1.00 0.00 N ATOM 167 CA THR A 13 -12.548 -1.393 -11.670 1.00 0.00 C ATOM 168 C THR A 13 -11.486 -0.305 -11.828 1.00 0.00 C ATOM 169 O THR A 13 -10.631 -0.142 -10.959 1.00 0.00 O ATOM 170 CB THR A 13 -13.935 -0.767 -11.532 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.351 -0.763 -10.178 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.001 -1.482 -12.335 1.00 0.00 C ATOM 0 H THR A 13 -11.847 -1.686 -9.725 1.00 0.00 H new ATOM 0 HA THR A 13 -12.535 -2.024 -12.559 1.00 0.00 H new ATOM 0 HB THR A 13 -13.831 0.247 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.240 -0.357 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.960 -0.985 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.736 -1.460 -13.392 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.075 -2.517 -12.001 1.00 0.00 H new ATOM 177 N PRO A 14 -11.521 0.455 -12.937 1.00 0.00 N ATOM 178 CA PRO A 14 -10.552 1.525 -13.193 1.00 0.00 C ATOM 179 C PRO A 14 -10.234 2.348 -11.947 1.00 0.00 C ATOM 180 O PRO A 14 -9.069 2.592 -11.635 1.00 0.00 O ATOM 181 CB PRO A 14 -11.267 2.381 -14.230 1.00 0.00 C ATOM 182 CG PRO A 14 -12.088 1.411 -15.007 1.00 0.00 C ATOM 183 CD PRO A 14 -12.503 0.334 -14.036 1.00 0.00 C ATOM 0 HA PRO A 14 -9.587 1.136 -13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.890 3.140 -13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.558 2.904 -14.871 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.960 1.900 -15.441 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.514 0.990 -15.833 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.522 0.486 -13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.470 -0.654 -14.496 1.00 0.00 H new ATOM 191 N ALA A 15 -11.276 2.772 -11.235 1.00 0.00 N ATOM 192 CA ALA A 15 -11.100 3.564 -10.022 1.00 0.00 C ATOM 193 C ALA A 15 -10.198 2.841 -9.028 1.00 0.00 C ATOM 194 O ALA A 15 -9.031 3.194 -8.867 1.00 0.00 O ATOM 195 CB ALA A 15 -12.448 3.876 -9.391 1.00 0.00 C ATOM 0 H ALA A 15 -12.248 2.581 -11.477 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.619 4.503 -10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.299 4.467 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.058 4.440 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.955 2.945 -9.136 1.00 0.00 H new ATOM 201 N ILE A 16 -10.743 1.817 -8.372 1.00 0.00 N ATOM 202 CA ILE A 16 -9.978 1.033 -7.405 1.00 0.00 C ATOM 203 C ILE A 16 -8.617 0.654 -7.985 1.00 0.00 C ATOM 204 O ILE A 16 -7.580 1.078 -7.479 1.00 0.00 O ATOM 205 CB ILE A 16 -10.747 -0.245 -6.993 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.802 0.079 -5.940 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.800 -1.310 -6.464 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.150 0.444 -6.524 1.00 0.00 C ATOM 0 H ILE A 16 -11.709 1.512 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.830 1.648 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.241 -0.634 -7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.922 -0.781 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.447 0.905 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.369 -2.196 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.079 -1.573 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.272 -0.926 -5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.849 0.662 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.045 1.323 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.528 -0.389 -7.116 1.00 0.00 H new ATOM 212 N ARG A 17 -8.633 -0.134 -9.060 1.00 0.00 N ATOM 213 CA ARG A 17 -7.403 -0.566 -9.723 1.00 0.00 C ATOM 214 C ARG A 17 -6.389 0.574 -9.788 1.00 0.00 C ATOM 215 O ARG A 17 -5.309 0.497 -9.202 1.00 0.00 O ATOM 216 CB ARG A 17 -7.711 -1.061 -11.136 1.00 0.00 C ATOM 217 CG ARG A 17 -6.525 -1.716 -11.823 1.00 0.00 C ATOM 218 CD ARG A 17 -6.501 -1.403 -13.310 1.00 0.00 C ATOM 219 NE ARG A 17 -7.589 -2.063 -14.026 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.615 -2.228 -15.346 1.00 0.00 C ATOM 221 NH1 ARG A 17 -6.615 -1.785 -16.098 1.00 0.00 N ATOM 222 NH2 ARG A 17 -8.645 -2.839 -15.917 1.00 0.00 N ATOM 0 H ARG A 17 -9.487 -0.487 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.974 -1.381 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.534 -1.775 -11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.051 -0.220 -11.740 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.600 -1.370 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.569 -2.795 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.573 -0.325 -13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.546 -1.718 -13.731 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.375 -2.418 -13.482 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.820 -1.315 -15.665 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.641 -1.915 -17.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.416 -3.182 -15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.666 -2.966 -16.929 1.00 0.00 H new ATOM 236 N GLU A 18 -6.758 1.636 -10.497 1.00 0.00 N ATOM 237 CA GLU A 18 -5.896 2.804 -10.638 1.00 0.00 C ATOM 238 C GLU A 18 -5.531 3.375 -9.271 1.00 0.00 C ATOM 239 O GLU A 18 -4.389 3.771 -9.036 1.00 0.00 O ATOM 240 CB GLU A 18 -6.588 3.873 -11.486 1.00 0.00 C ATOM 241 CG GLU A 18 -5.760 5.135 -11.672 1.00 0.00 C ATOM 242 CD GLU A 18 -4.510 4.894 -12.495 1.00 0.00 C ATOM 243 OE1 GLU A 18 -4.631 4.753 -13.731 1.00 0.00 O ATOM 244 OE2 GLU A 18 -3.411 4.848 -11.905 1.00 0.00 O ATOM 0 H GLU A 18 -7.651 1.712 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.979 2.494 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.820 3.454 -12.465 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.537 4.137 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.369 5.897 -12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.478 5.528 -10.695 1.00 0.00 H new ATOM 251 N HIS A 19 -6.507 3.399 -8.366 1.00 0.00 N ATOM 252 CA HIS A 19 -6.290 3.903 -7.019 1.00 0.00 C ATOM 253 C HIS A 19 -5.201 3.083 -6.335 1.00 0.00 C ATOM 254 O HIS A 19 -4.090 3.566 -6.110 1.00 0.00 O ATOM 255 CB HIS A 19 -7.597 3.819 -6.234 1.00 0.00 C ATOM 256 CG HIS A 19 -7.677 4.737 -5.068 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.045 5.958 -5.002 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.354 4.598 -3.917 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.334 6.535 -3.847 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.130 5.726 -3.169 1.00 0.00 N ATOM 0 H HIS A 19 -7.457 3.074 -8.545 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.967 4.943 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.425 4.036 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.731 2.795 -5.884 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.963 3.753 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.981 7.500 -3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.514 5.910 -2.242 1.00 0.00 H new ATOM 269 N LEU A 20 -5.528 1.831 -6.033 1.00 0.00 N ATOM 270 CA LEU A 20 -4.580 0.914 -5.403 1.00 0.00 C ATOM 271 C LEU A 20 -3.229 0.966 -6.112 1.00 0.00 C ATOM 272 O LEU A 20 -2.189 1.171 -5.482 1.00 0.00 O ATOM 273 CB LEU A 20 -5.120 -0.514 -5.431 1.00 0.00 C ATOM 274 CG LEU A 20 -6.638 -0.634 -5.262 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.097 -2.070 -5.420 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.065 -0.079 -3.917 1.00 0.00 C ATOM 0 H LEU A 20 -6.446 1.425 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.447 1.224 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.837 -0.975 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.635 -1.086 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.113 -0.046 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.179 -2.122 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.829 -2.430 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.614 -2.691 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.146 -0.171 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.574 -0.638 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.782 0.972 -3.851 1.00 0.00 H new ATOM 282 N GLU A 21 -3.255 0.791 -7.433 1.00 0.00 N ATOM 283 CA GLU A 21 -2.036 0.832 -8.234 1.00 0.00 C ATOM 284 C GLU A 21 -1.275 2.124 -7.971 1.00 0.00 C ATOM 285 O GLU A 21 -0.094 2.104 -7.618 1.00 0.00 O ATOM 286 CB GLU A 21 -2.371 0.715 -9.722 1.00 0.00 C ATOM 287 CG GLU A 21 -2.789 -0.685 -10.142 1.00 0.00 C ATOM 288 CD GLU A 21 -2.971 -0.814 -11.642 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.160 0.226 -12.308 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.927 -1.954 -12.149 1.00 0.00 O ATOM 0 H GLU A 21 -4.106 0.620 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.407 -0.012 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.174 1.412 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.502 1.017 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.037 -1.400 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.722 -0.947 -9.643 1.00 0.00 H new ATOM 297 N GLU A 22 -1.967 3.251 -8.124 1.00 0.00 N ATOM 298 CA GLU A 22 -1.360 4.554 -7.881 1.00 0.00 C ATOM 299 C GLU A 22 -0.739 4.587 -6.489 1.00 0.00 C ATOM 300 O GLU A 22 0.396 5.035 -6.311 1.00 0.00 O ATOM 301 CB GLU A 22 -2.402 5.669 -8.017 1.00 0.00 C ATOM 302 CG GLU A 22 -1.834 7.061 -7.792 1.00 0.00 C ATOM 303 CD GLU A 22 -2.886 8.051 -7.332 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.711 7.683 -6.471 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.884 9.195 -7.834 1.00 0.00 O ATOM 0 H GLU A 22 -2.944 3.287 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.580 4.717 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.845 5.622 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.206 5.493 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.039 7.009 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.383 7.419 -8.717 1.00 0.00 H new ATOM 312 N ARG A 23 -1.486 4.085 -5.507 1.00 0.00 N ATOM 313 CA ARG A 23 -1.003 4.032 -4.134 1.00 0.00 C ATOM 314 C ARG A 23 0.289 3.230 -4.069 1.00 0.00 C ATOM 315 O ARG A 23 1.253 3.630 -3.414 1.00 0.00 O ATOM 316 CB ARG A 23 -2.058 3.409 -3.221 1.00 0.00 C ATOM 317 CG ARG A 23 -3.290 4.278 -3.024 1.00 0.00 C ATOM 318 CD ARG A 23 -2.930 5.739 -2.792 1.00 0.00 C ATOM 319 NE ARG A 23 -4.007 6.471 -2.129 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.126 7.797 -2.149 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.236 8.541 -2.793 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.138 8.380 -1.521 1.00 0.00 N ATOM 0 H ARG A 23 -2.426 3.711 -5.639 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.807 5.048 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.365 2.450 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.609 3.206 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.933 4.198 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.863 3.907 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.026 5.797 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.705 6.213 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.710 5.934 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.455 8.098 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.333 9.556 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.824 7.813 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.230 9.396 -1.536 1.00 0.00 H new ATOM 336 N LEU A 24 0.309 2.101 -4.776 1.00 0.00 N ATOM 337 CA LEU A 24 1.491 1.251 -4.823 1.00 0.00 C ATOM 338 C LEU A 24 2.648 2.016 -5.451 1.00 0.00 C ATOM 339 O LEU A 24 3.723 2.138 -4.860 1.00 0.00 O ATOM 340 CB LEU A 24 1.202 -0.022 -5.622 1.00 0.00 C ATOM 341 CG LEU A 24 2.428 -0.887 -5.946 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.454 -2.132 -5.075 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.443 -1.267 -7.422 1.00 0.00 C ATOM 0 H LEU A 24 -0.480 1.757 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 24 1.762 0.965 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.488 -0.628 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.718 0.258 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 24 3.322 -0.302 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.331 -2.730 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.497 -1.841 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.553 -2.719 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.320 -1.880 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.541 -1.830 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.479 -0.363 -8.030 1.00 0.00 H new ATOM 349 N ALA A 25 2.412 2.546 -6.650 1.00 0.00 N ATOM 350 CA ALA A 25 3.427 3.319 -7.353 1.00 0.00 C ATOM 351 C ALA A 25 3.928 4.453 -6.469 1.00 0.00 C ATOM 352 O ALA A 25 5.084 4.864 -6.559 1.00 0.00 O ATOM 353 CB ALA A 25 2.868 3.866 -8.658 1.00 0.00 C ATOM 0 H ALA A 25 1.529 2.453 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 25 4.266 2.664 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.639 4.441 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.550 3.039 -9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.015 4.510 -8.447 1.00 0.00 H new ATOM 359 N LYS A 26 3.047 4.942 -5.600 1.00 0.00 N ATOM 360 CA LYS A 26 3.396 6.014 -4.680 1.00 0.00 C ATOM 361 C LYS A 26 4.209 5.461 -3.515 1.00 0.00 C ATOM 362 O LYS A 26 5.120 6.119 -3.013 1.00 0.00 O ATOM 363 CB LYS A 26 2.132 6.705 -4.162 1.00 0.00 C ATOM 364 CG LYS A 26 2.293 8.204 -3.961 1.00 0.00 C ATOM 365 CD LYS A 26 1.801 8.988 -5.171 1.00 0.00 C ATOM 366 CE LYS A 26 0.674 9.941 -4.803 1.00 0.00 C ATOM 367 NZ LYS A 26 -0.647 9.446 -5.280 1.00 0.00 N ATOM 0 H LYS A 26 2.086 4.611 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 26 3.999 6.749 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.318 6.527 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.842 6.250 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.738 8.515 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.342 8.437 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.629 9.552 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.456 8.295 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.645 10.069 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.872 10.922 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.389 10.123 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.628 9.348 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.848 8.521 -4.848 1.00 0.00 H new ATOM 381 N LEU A 27 3.879 4.240 -3.098 1.00 0.00 N ATOM 382 CA LEU A 27 4.590 3.594 -2.000 1.00 0.00 C ATOM 383 C LEU A 27 5.910 2.993 -2.484 1.00 0.00 C ATOM 384 O LEU A 27 6.738 2.564 -1.681 1.00 0.00 O ATOM 385 CB LEU A 27 3.718 2.516 -1.341 1.00 0.00 C ATOM 386 CG LEU A 27 2.873 3.002 -0.157 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.215 1.826 0.548 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.721 3.805 0.824 1.00 0.00 C ATOM 0 H LEU A 27 3.127 3.682 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 27 4.814 4.356 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.052 2.097 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.363 1.706 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 27 2.091 3.655 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.620 2.190 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.570 1.296 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.983 1.147 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.099 4.138 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.529 3.179 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.142 4.672 0.316 1.00 0.00 H new ATOM 394 N GLY A 28 6.109 2.973 -3.801 1.00 0.00 N ATOM 395 CA GLY A 28 7.340 2.437 -4.355 1.00 0.00 C ATOM 396 C GLY A 28 8.546 3.262 -3.953 1.00 0.00 C ATOM 397 O GLY A 28 9.623 2.723 -3.698 1.00 0.00 O ATOM 0 H GLY A 28 5.442 3.317 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.474 1.410 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.266 2.407 -5.442 1.00 0.00 H new ATOM 401 N LYS A 29 8.360 4.576 -3.898 1.00 0.00 N ATOM 402 CA LYS A 29 9.433 5.494 -3.525 1.00 0.00 C ATOM 403 C LYS A 29 9.677 5.500 -2.018 1.00 0.00 C ATOM 404 O LYS A 29 10.600 6.156 -1.535 1.00 0.00 O ATOM 405 CB LYS A 29 9.098 6.916 -3.984 1.00 0.00 C ATOM 406 CG LYS A 29 7.991 7.591 -3.178 1.00 0.00 C ATOM 407 CD LYS A 29 8.415 8.964 -2.675 1.00 0.00 C ATOM 408 CE LYS A 29 8.143 9.123 -1.184 1.00 0.00 C ATOM 409 NZ LYS A 29 8.935 10.237 -0.592 1.00 0.00 N ATOM 0 H LYS A 29 7.472 5.032 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 29 10.340 5.146 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.999 7.526 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.802 6.887 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.099 7.690 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.722 6.960 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.477 9.111 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.880 9.736 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.081 9.309 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.384 8.193 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.722 10.313 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.950 10.048 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.687 11.129 -1.065 1.00 0.00 H new ATOM 423 N TRP A 30 8.838 4.790 -1.277 1.00 0.00 N ATOM 424 CA TRP A 30 8.957 4.743 0.174 1.00 0.00 C ATOM 425 C TRP A 30 10.106 3.853 0.632 1.00 0.00 C ATOM 426 O TRP A 30 9.903 2.913 1.399 1.00 0.00 O ATOM 427 CB TRP A 30 7.638 4.284 0.795 1.00 0.00 C ATOM 428 CG TRP A 30 6.778 5.423 1.246 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.854 6.105 0.507 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.774 6.019 2.541 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.271 7.087 1.272 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.822 7.054 2.526 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.485 5.774 3.713 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.566 7.843 3.645 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.233 6.557 4.821 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.279 7.581 4.780 1.00 0.00 C ATOM 0 H TRP A 30 8.068 4.239 -1.656 1.00 0.00 H new ATOM 0 HA TRP A 30 9.183 5.753 0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.088 3.687 0.068 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.849 3.636 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.616 5.902 -0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.547 7.734 0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.221 4.985 3.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.830 8.633 3.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.780 6.377 5.734 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.103 8.176 5.664 1.00 0.00 H new ATOM 447 N GLN A 31 11.317 4.190 0.183 1.00 0.00 N ATOM 448 CA GLN A 31 12.534 3.470 0.561 1.00 0.00 C ATOM 449 C GLN A 31 12.255 1.982 0.853 1.00 0.00 C ATOM 450 O GLN A 31 12.816 1.384 1.765 1.00 0.00 O ATOM 451 CB GLN A 31 13.169 4.222 1.754 1.00 0.00 C ATOM 452 CG GLN A 31 13.755 3.367 2.866 1.00 0.00 C ATOM 453 CD GLN A 31 15.000 2.613 2.434 1.00 0.00 C ATOM 454 OE1 GLN A 31 15.128 1.412 2.672 1.00 0.00 O ATOM 455 NE2 GLN A 31 15.926 3.319 1.794 1.00 0.00 N ATOM 0 H GLN A 31 11.481 4.970 -0.453 1.00 0.00 H new ATOM 0 HA GLN A 31 13.243 3.455 -0.267 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.959 4.867 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.410 4.873 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.998 4.003 3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.003 2.654 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.778 4.313 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.784 2.867 1.479 1.00 0.00 H new ATOM 462 N THR A 32 11.376 1.386 0.055 1.00 0.00 N ATOM 463 CA THR A 32 11.027 -0.010 0.229 1.00 0.00 C ATOM 464 C THR A 32 10.809 -0.687 -1.122 1.00 0.00 C ATOM 465 O THR A 32 10.625 -0.028 -2.145 1.00 0.00 O ATOM 466 CB THR A 32 9.768 -0.116 1.101 1.00 0.00 C ATOM 467 OG1 THR A 32 10.101 0.037 2.468 1.00 0.00 O ATOM 468 CG2 THR A 32 9.021 -1.426 0.963 1.00 0.00 C ATOM 0 H THR A 32 10.896 1.851 -0.716 1.00 0.00 H new ATOM 0 HA THR A 32 11.850 -0.523 0.727 1.00 0.00 H new ATOM 0 HB THR A 32 9.116 0.682 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.955 -0.408 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.146 -1.416 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.703 -1.556 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.675 -2.250 1.248 1.00 0.00 H new ATOM 473 N GLN A 33 10.807 -2.010 -1.096 1.00 0.00 N ATOM 474 CA GLN A 33 10.583 -2.816 -2.282 1.00 0.00 C ATOM 475 C GLN A 33 9.415 -3.734 -2.016 1.00 0.00 C ATOM 476 O GLN A 33 9.576 -4.849 -1.521 1.00 0.00 O ATOM 477 CB GLN A 33 11.817 -3.635 -2.644 1.00 0.00 C ATOM 478 CG GLN A 33 12.667 -4.032 -1.447 1.00 0.00 C ATOM 479 CD GLN A 33 13.678 -2.959 -1.079 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.500 -1.787 -1.417 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.743 -3.346 -0.385 1.00 0.00 N ATOM 0 H GLN A 33 10.961 -2.556 -0.248 1.00 0.00 H new ATOM 0 HA GLN A 33 10.371 -2.158 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.501 -4.537 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.431 -3.061 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.019 -4.227 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.191 -4.962 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.853 -4.326 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.450 -2.663 -0.113 1.00 0.00 H new ATOM 488 N LEU A 34 8.235 -3.229 -2.307 1.00 0.00 N ATOM 489 CA LEU A 34 7.006 -3.955 -2.066 1.00 0.00 C ATOM 490 C LEU A 34 7.106 -5.416 -2.484 1.00 0.00 C ATOM 491 O LEU A 34 6.960 -5.756 -3.659 1.00 0.00 O ATOM 492 CB LEU A 34 5.848 -3.272 -2.787 1.00 0.00 C ATOM 493 CG LEU A 34 5.248 -2.064 -2.063 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.319 -1.301 -1.289 1.00 0.00 C ATOM 495 CD2 LEU A 34 4.546 -1.151 -3.060 1.00 0.00 C ATOM 0 H LEU A 34 8.101 -2.305 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 34 6.823 -3.943 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.192 -2.951 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.059 -4.006 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 34 4.513 -2.424 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.865 -0.448 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.773 -1.961 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.085 -0.948 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.123 -0.295 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.264 -0.802 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.748 -1.702 -3.558 1.00 0.00 H new ATOM 501 N ILE A 35 7.344 -6.275 -1.502 1.00 0.00 N ATOM 502 CA ILE A 35 7.453 -7.704 -1.739 1.00 0.00 C ATOM 503 C ILE A 35 6.071 -8.318 -1.932 1.00 0.00 C ATOM 504 O ILE A 35 5.441 -8.766 -0.974 1.00 0.00 O ATOM 505 CB ILE A 35 8.162 -8.402 -0.567 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.614 -7.916 -0.479 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.101 -9.919 -0.733 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.483 -8.791 0.386 1.00 0.00 C ATOM 0 H ILE A 35 7.466 -6.002 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 35 8.043 -7.848 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 35 7.653 -8.148 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.037 -7.874 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.627 -6.900 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.608 -10.397 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.060 -10.241 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.592 -10.203 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.497 -8.391 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.082 -8.813 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.499 -9.802 -0.020 1.00 0.00 H new ATOM 512 N SER A 36 5.605 -8.335 -3.174 1.00 0.00 N ATOM 513 CA SER A 36 4.293 -8.895 -3.485 1.00 0.00 C ATOM 514 C SER A 36 3.205 -8.210 -2.664 1.00 0.00 C ATOM 515 O SER A 36 2.942 -8.580 -1.519 1.00 0.00 O ATOM 516 CB SER A 36 4.297 -10.399 -3.217 1.00 0.00 C ATOM 517 OG SER A 36 2.982 -10.927 -3.236 1.00 0.00 O ATOM 0 H SER A 36 6.112 -7.970 -3.980 1.00 0.00 H new ATOM 0 HA SER A 36 4.079 -8.722 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.905 -10.903 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.757 -10.597 -2.249 1.00 0.00 H new ATOM 0 HG SER A 36 3.014 -11.891 -3.063 1.00 0.00 H new ATOM 523 N PRO A 37 2.573 -7.179 -3.245 1.00 0.00 N ATOM 524 CA PRO A 37 1.529 -6.397 -2.602 1.00 0.00 C ATOM 525 C PRO A 37 0.116 -6.834 -2.976 1.00 0.00 C ATOM 526 O PRO A 37 -0.176 -7.109 -4.141 1.00 0.00 O ATOM 527 CB PRO A 37 1.799 -4.996 -3.153 1.00 0.00 C ATOM 528 CG PRO A 37 2.540 -5.198 -4.447 1.00 0.00 C ATOM 529 CD PRO A 37 2.847 -6.662 -4.582 1.00 0.00 C ATOM 0 HA PRO A 37 1.562 -6.492 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.867 -4.454 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.391 -4.408 -2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.938 -4.856 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.460 -4.613 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.220 -7.138 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.883 -6.832 -4.876 1.00 0.00 H new ATOM 537 N HIS A 38 -0.764 -6.862 -1.980 1.00 0.00 N ATOM 538 CA HIS A 38 -2.159 -7.228 -2.195 1.00 0.00 C ATOM 539 C HIS A 38 -3.074 -6.151 -1.649 1.00 0.00 C ATOM 540 O HIS A 38 -2.632 -5.229 -0.964 1.00 0.00 O ATOM 541 CB HIS A 38 -2.501 -8.545 -1.506 1.00 0.00 C ATOM 542 CG HIS A 38 -2.711 -9.691 -2.441 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.591 -9.861 -3.456 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.985 -10.857 -2.363 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.383 -11.119 -3.965 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.409 -11.699 -3.287 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.534 -6.635 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.303 -7.338 -3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.698 -8.799 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.404 -8.407 -0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.192 -11.053 -1.656 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.927 -11.562 -4.786 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.046 -12.638 -3.450 1.00 0.00 H new ATOM 555 N PHE A 39 -4.353 -6.292 -1.940 1.00 0.00 N ATOM 556 CA PHE A 39 -5.339 -5.348 -1.461 1.00 0.00 C ATOM 557 C PHE A 39 -6.698 -6.012 -1.284 1.00 0.00 C ATOM 558 O PHE A 39 -7.435 -6.215 -2.246 1.00 0.00 O ATOM 559 CB PHE A 39 -5.439 -4.157 -2.406 1.00 0.00 C ATOM 560 CG PHE A 39 -4.803 -2.910 -1.861 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.428 -2.739 -1.896 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.585 -1.911 -1.304 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.845 -1.593 -1.385 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.009 -0.764 -0.794 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.639 -0.604 -0.835 1.00 0.00 C ATOM 0 H PHE A 39 -4.732 -7.052 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.016 -4.989 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.966 -4.413 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.489 -3.958 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.805 -3.509 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.658 -2.031 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.772 -1.471 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.630 0.007 -0.363 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.187 0.293 -0.438 1.00 0.00 H new ATOM 575 N VAL A 40 -7.028 -6.341 -0.040 1.00 0.00 N ATOM 576 CA VAL A 40 -8.295 -6.965 0.272 1.00 0.00 C ATOM 577 C VAL A 40 -9.340 -5.888 0.535 1.00 0.00 C ATOM 578 O VAL A 40 -9.604 -5.513 1.678 1.00 0.00 O ATOM 579 CB VAL A 40 -8.162 -7.886 1.495 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.467 -8.606 1.759 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.027 -8.881 1.290 1.00 0.00 C ATOM 0 H VAL A 40 -6.427 -6.182 0.769 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.607 -7.573 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.927 -7.275 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.356 -9.254 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.253 -7.876 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.733 -9.207 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.946 -9.526 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.231 -9.489 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.091 -8.341 1.149 1.00 0.00 H new ATOM 585 N LEU A 41 -9.900 -5.376 -0.553 1.00 0.00 N ATOM 586 CA LEU A 41 -10.895 -4.309 -0.503 1.00 0.00 C ATOM 587 C LEU A 41 -12.312 -4.863 -0.403 1.00 0.00 C ATOM 588 O LEU A 41 -12.668 -5.810 -1.097 1.00 0.00 O ATOM 589 CB LEU A 41 -10.760 -3.450 -1.759 1.00 0.00 C ATOM 590 CG LEU A 41 -11.770 -2.316 -1.908 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.159 -0.990 -1.485 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.262 -2.246 -3.347 1.00 0.00 C ATOM 0 H LEU A 41 -9.678 -5.689 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.715 -3.709 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.758 -3.021 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.843 -4.100 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.619 -2.517 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.897 -0.196 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.848 -1.049 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.293 -0.773 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.983 -1.434 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.418 -2.065 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.739 -3.189 -3.615 1.00 0.00 H new ATOM 598 N ASN A 42 -13.121 -4.256 0.456 1.00 0.00 N ATOM 599 CA ASN A 42 -14.505 -4.690 0.627 1.00 0.00 C ATOM 600 C ASN A 42 -15.414 -3.535 1.031 1.00 0.00 C ATOM 601 O ASN A 42 -14.956 -2.482 1.476 1.00 0.00 O ATOM 602 CB ASN A 42 -14.606 -5.814 1.656 1.00 0.00 C ATOM 603 CG ASN A 42 -13.764 -7.015 1.283 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.877 -7.550 0.180 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.915 -7.450 2.204 1.00 0.00 N ATOM 0 H ASN A 42 -12.847 -3.467 1.042 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.841 -5.065 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.290 -5.441 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.647 -6.120 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.323 -8.258 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.854 -6.977 3.105 1.00 0.00 H new ATOM 610 N LYS A 43 -16.710 -3.747 0.859 1.00 0.00 N ATOM 611 CA LYS A 43 -17.708 -2.739 1.188 1.00 0.00 C ATOM 612 C LYS A 43 -18.826 -3.339 2.022 1.00 0.00 C ATOM 613 O LYS A 43 -19.044 -4.549 2.007 1.00 0.00 O ATOM 614 CB LYS A 43 -18.326 -2.162 -0.091 1.00 0.00 C ATOM 615 CG LYS A 43 -19.817 -1.853 0.045 1.00 0.00 C ATOM 616 CD LYS A 43 -20.368 -1.182 -1.203 1.00 0.00 C ATOM 617 CE LYS A 43 -21.748 -0.591 -0.960 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.799 -1.300 -1.742 1.00 0.00 N ATOM 0 H LYS A 43 -17.098 -4.615 0.490 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.206 -1.953 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.796 -1.249 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.181 -2.870 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.364 -2.777 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.977 -1.206 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.686 -0.395 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.421 -1.908 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.985 -0.647 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.744 0.465 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.725 -0.868 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.586 -1.225 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.820 -2.302 -1.466 1.00 0.00 H new ATOM 632 N VAL A 44 -19.567 -2.473 2.699 1.00 0.00 N ATOM 633 CA VAL A 44 -20.705 -2.901 3.484 1.00 0.00 C ATOM 634 C VAL A 44 -21.669 -1.741 3.735 1.00 0.00 C ATOM 635 O VAL A 44 -21.274 -0.575 3.723 1.00 0.00 O ATOM 636 CB VAL A 44 -20.294 -3.530 4.823 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.346 -4.703 4.617 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.682 -2.503 5.766 1.00 0.00 C ATOM 0 H VAL A 44 -19.396 -1.468 2.717 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.209 -3.668 2.896 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.204 -3.907 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.074 -5.126 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -19.837 -5.466 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.447 -4.359 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -19.405 -2.988 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.794 -2.069 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -20.408 -1.715 5.967 1.00 0.00 H new ATOM 642 N PRO A 45 -22.957 -2.044 3.958 1.00 0.00 N ATOM 643 CA PRO A 45 -23.976 -1.020 4.203 1.00 0.00 C ATOM 644 C PRO A 45 -23.517 0.041 5.198 1.00 0.00 C ATOM 645 O PRO A 45 -23.663 1.238 4.957 1.00 0.00 O ATOM 646 CB PRO A 45 -25.142 -1.824 4.776 1.00 0.00 C ATOM 647 CG PRO A 45 -25.003 -3.174 4.161 1.00 0.00 C ATOM 648 CD PRO A 45 -23.525 -3.407 3.986 1.00 0.00 C ATOM 0 HA PRO A 45 -24.221 -0.463 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.091 -1.876 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.100 -1.369 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.445 -3.940 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.520 -3.220 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -23.113 -3.996 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.311 -3.949 3.065 1.00 0.00 H new ATOM 656 N ASN A 46 -22.968 -0.411 6.318 1.00 0.00 N ATOM 657 CA ASN A 46 -22.490 0.492 7.361 1.00 0.00 C ATOM 658 C ASN A 46 -21.094 1.045 7.061 1.00 0.00 C ATOM 659 O ASN A 46 -20.337 1.344 7.985 1.00 0.00 O ATOM 660 CB ASN A 46 -22.480 -0.227 8.712 1.00 0.00 C ATOM 661 CG ASN A 46 -21.551 -1.424 8.722 1.00 0.00 C ATOM 662 OD1 ASN A 46 -20.355 -1.296 8.981 1.00 0.00 O ATOM 663 ND2 ASN A 46 -22.099 -2.600 8.439 1.00 0.00 N ATOM 0 H ASN A 46 -22.842 -1.401 6.529 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.177 1.338 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.175 0.472 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.491 -0.553 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -21.523 -3.442 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.095 -2.661 8.230 1.00 0.00 H new ATOM 668 N GLY A 47 -20.748 1.185 5.781 1.00 0.00 N ATOM 669 CA GLY A 47 -19.449 1.703 5.429 1.00 0.00 C ATOM 670 C GLY A 47 -18.650 0.731 4.593 1.00 0.00 C ATOM 671 O GLY A 47 -19.073 -0.392 4.345 1.00 0.00 O ATOM 0 H GLY A 47 -21.347 0.948 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.570 2.637 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.895 1.937 6.338 1.00 0.00 H new ATOM 675 N PHE A 48 -17.486 1.167 4.167 1.00 0.00 N ATOM 676 CA PHE A 48 -16.606 0.345 3.363 1.00 0.00 C ATOM 677 C PHE A 48 -15.476 -0.203 4.211 1.00 0.00 C ATOM 678 O PHE A 48 -14.873 0.528 5.000 1.00 0.00 O ATOM 679 CB PHE A 48 -16.009 1.158 2.217 1.00 0.00 C ATOM 680 CG PHE A 48 -16.969 1.476 1.114 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.143 2.163 1.363 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.682 1.089 -0.179 1.00 0.00 C ATOM 683 CE1 PHE A 48 -19.017 2.457 0.333 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.547 1.375 -1.213 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.716 2.060 -0.958 1.00 0.00 C ATOM 0 H PHE A 48 -17.122 2.099 4.367 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.195 -0.478 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.614 2.092 2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.165 0.608 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.379 2.472 2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.766 0.554 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.932 2.995 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.310 1.064 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.396 2.287 -1.765 1.00 0.00 H new ATOM 695 N SER A 49 -15.170 -1.479 4.022 1.00 0.00 N ATOM 696 CA SER A 49 -14.085 -2.111 4.747 1.00 0.00 C ATOM 697 C SER A 49 -12.963 -2.431 3.788 1.00 0.00 C ATOM 698 O SER A 49 -13.146 -3.146 2.803 1.00 0.00 O ATOM 699 CB SER A 49 -14.536 -3.376 5.463 1.00 0.00 C ATOM 700 OG SER A 49 -15.896 -3.668 5.195 1.00 0.00 O ATOM 0 H SER A 49 -15.660 -2.094 3.372 1.00 0.00 H new ATOM 0 HA SER A 49 -13.739 -1.414 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.914 -4.214 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.393 -3.258 6.537 1.00 0.00 H new ATOM 0 HG SER A 49 -16.154 -4.487 5.668 1.00 0.00 H new ATOM 706 N VAL A 50 -11.810 -1.884 4.073 1.00 0.00 N ATOM 707 CA VAL A 50 -10.649 -2.085 3.226 1.00 0.00 C ATOM 708 C VAL A 50 -9.457 -2.587 4.030 1.00 0.00 C ATOM 709 O VAL A 50 -9.063 -1.966 5.017 1.00 0.00 O ATOM 710 CB VAL A 50 -10.256 -0.781 2.509 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.309 -1.072 1.357 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.492 -0.042 2.018 1.00 0.00 C ATOM 0 H VAL A 50 -11.643 -1.293 4.887 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.922 -2.837 2.486 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.740 -0.139 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.042 -0.139 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.408 -1.551 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.798 -1.735 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.191 0.877 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.041 -0.675 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.131 0.202 2.867 1.00 0.00 H new ATOM 716 N GLU A 51 -8.885 -3.704 3.596 1.00 0.00 N ATOM 717 CA GLU A 51 -7.730 -4.286 4.267 1.00 0.00 C ATOM 718 C GLU A 51 -6.633 -4.590 3.257 1.00 0.00 C ATOM 719 O GLU A 51 -6.859 -5.290 2.271 1.00 0.00 O ATOM 720 CB GLU A 51 -8.131 -5.558 5.016 1.00 0.00 C ATOM 721 CG GLU A 51 -6.966 -6.290 5.666 1.00 0.00 C ATOM 722 CD GLU A 51 -7.242 -7.768 5.858 1.00 0.00 C ATOM 723 OE1 GLU A 51 -8.373 -8.114 6.257 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.326 -8.580 5.609 1.00 0.00 O ATOM 0 H GLU A 51 -9.204 -4.226 2.780 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.349 -3.565 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.858 -5.300 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.629 -6.234 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.075 -6.167 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.750 -5.836 6.633 1.00 0.00 H new ATOM 731 N ALA A 52 -5.452 -4.047 3.504 1.00 0.00 N ATOM 732 CA ALA A 52 -4.316 -4.244 2.611 1.00 0.00 C ATOM 733 C ALA A 52 -3.237 -5.103 3.259 1.00 0.00 C ATOM 734 O ALA A 52 -3.120 -5.157 4.484 1.00 0.00 O ATOM 735 CB ALA A 52 -3.741 -2.901 2.195 1.00 0.00 C ATOM 0 H ALA A 52 -5.252 -3.464 4.317 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.672 -4.772 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.893 -3.059 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.506 -2.322 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.410 -2.357 3.080 1.00 0.00 H new ATOM 741 N SER A 53 -2.444 -5.767 2.423 1.00 0.00 N ATOM 742 CA SER A 53 -1.367 -6.619 2.901 1.00 0.00 C ATOM 743 C SER A 53 -0.204 -6.629 1.916 1.00 0.00 C ATOM 744 O SER A 53 -0.266 -7.272 0.867 1.00 0.00 O ATOM 745 CB SER A 53 -1.870 -8.045 3.128 1.00 0.00 C ATOM 746 OG SER A 53 -3.212 -8.046 3.585 1.00 0.00 O ATOM 0 H SER A 53 -2.530 -5.729 1.407 1.00 0.00 H new ATOM 0 HA SER A 53 -1.015 -6.214 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.798 -8.611 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.234 -8.547 3.857 1.00 0.00 H new ATOM 0 HG SER A 53 -3.511 -8.969 3.721 1.00 0.00 H new ATOM 752 N ILE A 54 0.856 -5.912 2.264 1.00 0.00 N ATOM 753 CA ILE A 54 2.045 -5.828 1.424 1.00 0.00 C ATOM 754 C ILE A 54 3.260 -6.382 2.163 1.00 0.00 C ATOM 755 O ILE A 54 3.185 -6.675 3.355 1.00 0.00 O ATOM 756 CB ILE A 54 2.330 -4.370 0.995 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.025 -3.647 0.645 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.292 -4.339 -0.183 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.225 -2.236 0.128 1.00 0.00 C ATOM 0 H ILE A 54 0.917 -5.376 3.129 1.00 0.00 H new ATOM 0 HA ILE A 54 1.857 -6.424 0.531 1.00 0.00 H new ATOM 0 HB ILE A 54 2.796 -3.850 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.490 -4.227 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.391 -3.613 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.481 -3.305 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.231 -4.814 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.854 -4.876 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.256 -1.790 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.731 -1.639 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.832 -2.263 -0.777 1.00 0.00 H new ATOM 763 N GLY A 55 4.378 -6.520 1.459 1.00 0.00 N ATOM 764 CA GLY A 55 5.583 -7.026 2.073 1.00 0.00 C ATOM 765 C GLY A 55 6.751 -6.096 1.873 1.00 0.00 C ATOM 766 O GLY A 55 6.843 -5.399 0.864 1.00 0.00 O ATOM 0 H GLY A 55 4.467 -6.288 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.413 -7.171 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.821 -8.003 1.653 1.00 0.00 H new ATOM 770 N THR A 56 7.640 -6.093 2.840 1.00 0.00 N ATOM 771 CA THR A 56 8.826 -5.251 2.788 1.00 0.00 C ATOM 772 C THR A 56 10.012 -5.949 3.437 1.00 0.00 C ATOM 773 O THR A 56 9.874 -6.537 4.509 1.00 0.00 O ATOM 774 CB THR A 56 8.600 -3.906 3.492 1.00 0.00 C ATOM 775 OG1 THR A 56 9.252 -3.885 4.759 1.00 0.00 O ATOM 776 CG2 THR A 56 7.140 -3.560 3.703 1.00 0.00 C ATOM 0 H THR A 56 7.568 -6.667 3.680 1.00 0.00 H new ATOM 0 HA THR A 56 9.035 -5.067 1.734 1.00 0.00 H new ATOM 0 HB THR A 56 9.023 -3.159 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.595 -4.049 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.064 -2.596 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.636 -3.507 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.669 -4.328 4.317 1.00 0.00 H new ATOM 781 N PRO A 57 11.208 -5.870 2.829 1.00 0.00 N ATOM 782 CA PRO A 57 12.399 -6.480 3.414 1.00 0.00 C ATOM 783 C PRO A 57 12.614 -6.018 4.853 1.00 0.00 C ATOM 784 O PRO A 57 13.367 -6.635 5.607 1.00 0.00 O ATOM 785 CB PRO A 57 13.543 -5.980 2.530 1.00 0.00 C ATOM 786 CG PRO A 57 12.904 -5.600 1.242 1.00 0.00 C ATOM 787 CD PRO A 57 11.502 -5.169 1.565 1.00 0.00 C ATOM 0 HA PRO A 57 12.323 -7.567 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.049 -5.128 2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.295 -6.756 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.455 -4.793 0.760 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.900 -6.441 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.431 -4.087 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.804 -5.452 0.777 1.00 0.00 H new ATOM 795 N LEU A 58 11.948 -4.922 5.231 1.00 0.00 N ATOM 796 CA LEU A 58 12.076 -4.384 6.579 1.00 0.00 C ATOM 797 C LEU A 58 10.921 -4.848 7.463 1.00 0.00 C ATOM 798 O LEU A 58 11.007 -4.793 8.691 1.00 0.00 O ATOM 799 CB LEU A 58 12.122 -2.854 6.544 1.00 0.00 C ATOM 800 CG LEU A 58 13.513 -2.237 6.359 1.00 0.00 C ATOM 801 CD1 LEU A 58 14.332 -2.395 7.631 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.239 -2.858 5.170 1.00 0.00 C ATOM 0 H LEU A 58 11.320 -4.397 4.623 1.00 0.00 H new ATOM 0 HA LEU A 58 13.009 -4.758 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.480 -2.508 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.696 -2.474 7.473 1.00 0.00 H new ATOM 0 HG LEU A 58 13.389 -1.174 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.318 -1.953 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.826 -1.892 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.440 -3.454 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.222 -2.400 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.353 -3.930 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.661 -2.689 4.262 1.00 0.00 H new ATOM 808 N GLY A 59 9.841 -5.305 6.835 1.00 0.00 N ATOM 809 CA GLY A 59 8.691 -5.771 7.586 1.00 0.00 C ATOM 810 C GLY A 59 7.417 -5.777 6.767 1.00 0.00 C ATOM 811 O GLY A 59 7.084 -4.790 6.116 1.00 0.00 O ATOM 0 H GLY A 59 9.743 -5.360 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.886 -6.779 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.552 -5.135 8.460 1.00 0.00 H new ATOM 815 N ASN A 60 6.700 -6.896 6.808 1.00 0.00 N ATOM 816 CA ASN A 60 5.451 -7.031 6.073 1.00 0.00 C ATOM 817 C ASN A 60 4.465 -5.940 6.482 1.00 0.00 C ATOM 818 O ASN A 60 4.423 -5.535 7.644 1.00 0.00 O ATOM 819 CB ASN A 60 4.840 -8.410 6.326 1.00 0.00 C ATOM 820 CG ASN A 60 5.835 -9.534 6.114 1.00 0.00 C ATOM 821 OD1 ASN A 60 7.009 -9.295 5.830 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.368 -10.770 6.250 1.00 0.00 N ATOM 0 H ASN A 60 6.965 -7.722 7.344 1.00 0.00 H new ATOM 0 HA ASN A 60 5.663 -6.924 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.460 -8.454 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.988 -8.554 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.990 -11.568 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.387 -10.922 6.486 1.00 0.00 H new ATOM 827 N LEU A 61 3.680 -5.460 5.523 1.00 0.00 N ATOM 828 CA LEU A 61 2.705 -4.408 5.793 1.00 0.00 C ATOM 829 C LEU A 61 1.276 -4.932 5.718 1.00 0.00 C ATOM 830 O LEU A 61 0.919 -5.667 4.798 1.00 0.00 O ATOM 831 CB LEU A 61 2.866 -3.256 4.797 1.00 0.00 C ATOM 832 CG LEU A 61 4.081 -2.350 5.013 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.702 -1.971 3.677 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.689 -1.095 5.785 1.00 0.00 C ATOM 0 H LEU A 61 3.699 -5.781 4.555 1.00 0.00 H new ATOM 0 HA LEU A 61 2.893 -4.051 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.924 -3.675 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.967 -2.641 4.834 1.00 0.00 H new ATOM 0 HG LEU A 61 4.816 -2.900 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.565 -1.327 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.020 -2.873 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.967 -1.441 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.568 -0.466 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.935 -0.543 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.284 -1.377 6.757 1.00 0.00 H new ATOM 840 N LEU A 62 0.456 -4.516 6.676 1.00 0.00 N ATOM 841 CA LEU A 62 -0.944 -4.901 6.721 1.00 0.00 C ATOM 842 C LEU A 62 -1.775 -3.720 7.190 1.00 0.00 C ATOM 843 O LEU A 62 -1.292 -2.864 7.929 1.00 0.00 O ATOM 844 CB LEU A 62 -1.179 -6.085 7.666 1.00 0.00 C ATOM 845 CG LEU A 62 -0.227 -7.274 7.505 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.224 -7.773 6.067 1.00 0.00 C ATOM 847 CD2 LEU A 62 1.179 -6.902 7.957 1.00 0.00 C ATOM 0 H LEU A 62 0.744 -3.904 7.440 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.239 -5.205 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.107 -5.725 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.199 -6.441 7.523 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.582 -8.085 8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.459 -8.618 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.230 -8.088 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.101 -6.971 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.840 -7.760 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.547 -6.072 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.158 -6.607 9.006 1.00 0.00 H new ATOM 853 N ALA A 63 -3.021 -3.678 6.763 1.00 0.00 N ATOM 854 CA ALA A 63 -3.920 -2.602 7.146 1.00 0.00 C ATOM 855 C ALA A 63 -5.371 -3.022 6.979 1.00 0.00 C ATOM 856 O ALA A 63 -5.676 -3.949 6.230 1.00 0.00 O ATOM 857 CB ALA A 63 -3.631 -1.350 6.334 1.00 0.00 C ATOM 0 H ALA A 63 -3.437 -4.378 6.149 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.750 -2.378 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.314 -0.556 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.604 -1.031 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.768 -1.564 5.274 1.00 0.00 H new ATOM 863 N SER A 64 -6.261 -2.334 7.682 1.00 0.00 N ATOM 864 CA SER A 64 -7.686 -2.630 7.617 1.00 0.00 C ATOM 865 C SER A 64 -8.495 -1.516 8.269 1.00 0.00 C ATOM 866 O SER A 64 -8.181 -1.079 9.376 1.00 0.00 O ATOM 867 CB SER A 64 -7.990 -3.964 8.302 1.00 0.00 C ATOM 868 OG SER A 64 -6.943 -4.337 9.181 1.00 0.00 O ATOM 0 H SER A 64 -6.020 -1.564 8.306 1.00 0.00 H new ATOM 0 HA SER A 64 -7.969 -2.701 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.925 -3.886 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.130 -4.739 7.549 1.00 0.00 H new ATOM 0 HG SER A 64 -7.162 -5.192 9.607 1.00 0.00 H new ATOM 874 N ALA A 65 -9.532 -1.054 7.579 1.00 0.00 N ATOM 875 CA ALA A 65 -10.371 0.015 8.112 1.00 0.00 C ATOM 876 C ALA A 65 -11.775 -0.011 7.518 1.00 0.00 C ATOM 877 O ALA A 65 -11.970 -0.399 6.364 1.00 0.00 O ATOM 878 CB ALA A 65 -9.718 1.366 7.859 1.00 0.00 C ATOM 0 H ALA A 65 -9.810 -1.398 6.660 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.468 -0.146 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.351 2.157 8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.745 1.397 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.589 1.513 6.787 1.00 0.00 H new ATOM 884 N THR A 66 -12.747 0.419 8.318 1.00 0.00 N ATOM 885 CA THR A 66 -14.141 0.470 7.893 1.00 0.00 C ATOM 886 C THR A 66 -14.700 1.872 8.086 1.00 0.00 C ATOM 887 O THR A 66 -14.901 2.317 9.216 1.00 0.00 O ATOM 888 CB THR A 66 -14.984 -0.530 8.686 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.432 -1.832 8.608 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.421 -0.604 8.213 1.00 0.00 C ATOM 0 H THR A 66 -12.591 0.740 9.274 1.00 0.00 H new ATOM 0 HA THR A 66 -14.183 0.207 6.836 1.00 0.00 H new ATOM 0 HB THR A 66 -14.975 -0.165 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.987 -2.454 9.124 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.965 -1.331 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.889 0.375 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.444 -0.910 7.167 1.00 0.00 H new ATOM 895 N SER A 67 -14.947 2.570 6.985 1.00 0.00 N ATOM 896 CA SER A 67 -15.478 3.925 7.059 1.00 0.00 C ATOM 897 C SER A 67 -16.590 4.132 6.043 1.00 0.00 C ATOM 898 O SER A 67 -16.753 3.342 5.119 1.00 0.00 O ATOM 899 CB SER A 67 -14.364 4.946 6.826 1.00 0.00 C ATOM 900 OG SER A 67 -13.988 5.578 8.037 1.00 0.00 O ATOM 0 H SER A 67 -14.790 2.224 6.038 1.00 0.00 H new ATOM 0 HA SER A 67 -15.892 4.069 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.498 4.450 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.698 5.696 6.110 1.00 0.00 H new ATOM 0 HG SER A 67 -13.011 5.636 8.086 1.00 0.00 H new ATOM 906 N ASP A 68 -17.349 5.208 6.214 1.00 0.00 N ATOM 907 CA ASP A 68 -18.441 5.520 5.306 1.00 0.00 C ATOM 908 C ASP A 68 -17.940 6.268 4.074 1.00 0.00 C ATOM 909 O ASP A 68 -18.688 7.018 3.448 1.00 0.00 O ATOM 910 CB ASP A 68 -19.499 6.356 6.027 1.00 0.00 C ATOM 911 CG ASP A 68 -18.904 7.545 6.755 1.00 0.00 C ATOM 912 OD1 ASP A 68 -18.455 7.371 7.909 1.00 0.00 O ATOM 913 OD2 ASP A 68 -18.885 8.650 6.173 1.00 0.00 O ATOM 0 H ASP A 68 -17.227 5.878 6.974 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.884 4.580 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.234 6.708 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.031 5.726 6.740 1.00 0.00 H new ATOM 918 N ASP A 69 -16.669 6.066 3.726 1.00 0.00 N ATOM 919 CA ASP A 69 -16.089 6.728 2.567 1.00 0.00 C ATOM 920 C ASP A 69 -15.053 5.841 1.878 1.00 0.00 C ATOM 921 O ASP A 69 -13.951 5.646 2.381 1.00 0.00 O ATOM 922 CB ASP A 69 -15.451 8.054 2.980 1.00 0.00 C ATOM 923 CG ASP A 69 -16.433 9.208 2.933 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.325 9.194 2.058 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.312 10.126 3.771 1.00 0.00 O ATOM 0 H ASP A 69 -16.028 5.452 4.229 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.893 6.922 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.051 7.962 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.609 8.270 2.322 1.00 0.00 H new ATOM 930 N MET A 70 -15.437 5.312 0.724 1.00 0.00 N ATOM 931 CA MET A 70 -14.588 4.437 -0.081 1.00 0.00 C ATOM 932 C MET A 70 -13.120 4.871 -0.092 1.00 0.00 C ATOM 933 O MET A 70 -12.250 4.203 0.481 1.00 0.00 O ATOM 934 CB MET A 70 -15.138 4.435 -1.514 1.00 0.00 C ATOM 935 CG MET A 70 -14.186 3.889 -2.570 1.00 0.00 C ATOM 936 SD MET A 70 -14.755 2.336 -3.277 1.00 0.00 S ATOM 937 CE MET A 70 -13.613 1.210 -2.491 1.00 0.00 C ATOM 0 H MET A 70 -16.356 5.479 0.314 1.00 0.00 H new ATOM 0 HA MET A 70 -14.610 3.440 0.360 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.055 3.846 -1.534 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.409 5.456 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 70 -14.070 4.625 -3.365 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.202 3.743 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.986 0.190 -2.583 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.638 1.285 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.517 1.467 -1.436 1.00 0.00 H new ATOM 947 N TYR A 71 -12.846 5.971 -0.778 1.00 0.00 N ATOM 948 CA TYR A 71 -11.483 6.463 -0.905 1.00 0.00 C ATOM 949 C TYR A 71 -10.923 6.959 0.412 1.00 0.00 C ATOM 950 O TYR A 71 -9.710 6.992 0.585 1.00 0.00 O ATOM 951 CB TYR A 71 -11.390 7.514 -2.009 1.00 0.00 C ATOM 952 CG TYR A 71 -11.118 6.876 -3.357 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.424 5.535 -3.569 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.546 7.590 -4.401 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.176 4.923 -4.774 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.294 6.983 -5.620 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.611 5.650 -5.802 1.00 0.00 C ATOM 958 OH TYR A 71 -10.362 5.047 -7.014 1.00 0.00 O ATOM 0 H TYR A 71 -13.548 6.538 -1.254 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.854 5.622 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.320 8.080 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.596 8.223 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.867 4.962 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.295 8.631 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.421 3.881 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.851 7.549 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.963 5.699 -7.628 1.00 0.00 H new ATOM 968 N LYS A 72 -11.795 7.286 1.359 1.00 0.00 N ATOM 969 CA LYS A 72 -11.336 7.706 2.673 1.00 0.00 C ATOM 970 C LYS A 72 -10.888 6.470 3.439 1.00 0.00 C ATOM 971 O LYS A 72 -9.891 6.490 4.156 1.00 0.00 O ATOM 972 CB LYS A 72 -12.426 8.412 3.437 1.00 0.00 C ATOM 973 CG LYS A 72 -11.939 9.102 4.702 1.00 0.00 C ATOM 974 CD LYS A 72 -13.095 9.465 5.621 1.00 0.00 C ATOM 975 CE LYS A 72 -13.466 10.934 5.497 1.00 0.00 C ATOM 976 NZ LYS A 72 -13.737 11.553 6.824 1.00 0.00 N ATOM 0 H LYS A 72 -12.808 7.268 1.243 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.510 8.408 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.892 9.152 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.198 7.690 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.245 8.448 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.387 10.004 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.961 8.848 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.824 9.243 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.657 11.472 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.347 11.033 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.986 12.554 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.526 11.056 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.888 11.481 7.420 1.00 0.00 H new ATOM 990 N ALA A 73 -11.619 5.371 3.237 1.00 0.00 N ATOM 991 CA ALA A 73 -11.277 4.102 3.857 1.00 0.00 C ATOM 992 C ALA A 73 -9.927 3.696 3.312 1.00 0.00 C ATOM 993 O ALA A 73 -8.999 3.372 4.057 1.00 0.00 O ATOM 994 CB ALA A 73 -12.327 3.045 3.552 1.00 0.00 C ATOM 0 H ALA A 73 -12.451 5.341 2.647 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.241 4.201 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.046 2.105 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.294 3.371 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.394 2.900 2.474 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.811 3.803 1.990 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.555 3.538 1.315 1.00 0.00 C ATOM 1002 C ILE A 74 -7.551 4.565 1.819 1.00 0.00 C ATOM 1003 O ILE A 74 -6.379 4.267 2.060 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.733 3.642 -0.219 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.251 2.316 -0.764 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.439 4.034 -0.921 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.574 2.427 -1.478 1.00 0.00 C ATOM 0 H ILE A 74 -10.575 4.072 1.370 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.204 2.528 1.527 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.458 4.431 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.512 1.902 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.352 1.610 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.612 4.095 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.104 5.003 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.674 3.285 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.877 1.444 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.328 2.810 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.475 3.108 -2.324 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.071 5.772 2.023 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.315 6.884 2.551 1.00 0.00 C ATOM 1013 C ASN A 75 -6.742 6.504 3.910 1.00 0.00 C ATOM 1014 O ASN A 75 -5.604 6.836 4.240 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.259 8.084 2.657 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.571 9.392 2.387 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.851 9.926 3.232 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.795 9.916 1.194 1.00 0.00 N ATOM 0 H ASN A 75 -9.044 6.000 1.821 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.480 7.141 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.080 7.958 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.697 8.109 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.363 10.803 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.400 9.433 0.530 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.549 5.779 4.678 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.149 5.308 5.997 1.00 0.00 C ATOM 1025 C GLU A 76 -6.125 4.180 5.867 1.00 0.00 C ATOM 1026 O GLU A 76 -5.017 4.264 6.404 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.377 4.824 6.773 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.589 5.549 8.091 1.00 0.00 C ATOM 1029 CD GLU A 76 -10.021 6.012 8.280 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.922 5.426 7.644 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -10.241 6.958 9.064 1.00 0.00 O ATOM 0 H GLU A 76 -8.492 5.503 4.405 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.690 6.132 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.263 4.952 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.276 3.756 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.314 4.888 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.923 6.411 8.138 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.497 3.124 5.137 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.607 1.987 4.922 1.00 0.00 C ATOM 1040 C VAL A 77 -4.231 2.461 4.499 1.00 0.00 C ATOM 1041 O VAL A 77 -3.218 2.067 5.076 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.140 1.040 3.835 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.374 -0.273 3.846 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.624 0.803 4.021 1.00 0.00 C ATOM 0 H VAL A 77 -7.408 3.036 4.687 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.552 1.450 5.869 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.990 1.509 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.766 -0.930 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.318 -0.080 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.488 -0.753 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.985 0.130 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.801 0.355 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.155 1.753 3.955 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.204 3.316 3.483 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.950 3.849 2.983 1.00 0.00 C ATOM 1050 C GLU A 78 -2.191 4.549 4.101 1.00 0.00 C ATOM 1051 O GLU A 78 -0.961 4.518 4.147 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.199 4.814 1.821 1.00 0.00 C ATOM 1053 CG GLU A 78 -2.253 4.611 0.649 1.00 0.00 C ATOM 1054 CD GLU A 78 -2.234 3.178 0.153 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -3.325 2.623 -0.100 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -1.131 2.611 0.018 1.00 0.00 O ATOM 0 H GLU A 78 -5.034 3.651 2.994 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.345 3.020 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.225 4.694 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.102 5.838 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.547 5.270 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.245 4.902 0.946 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.937 5.164 5.013 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.334 5.852 6.143 1.00 0.00 C ATOM 1065 C GLU A 79 -1.726 4.837 7.100 1.00 0.00 C ATOM 1066 O GLU A 79 -0.624 5.035 7.614 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.371 6.713 6.869 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.281 8.192 6.528 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.765 9.027 7.684 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.000 8.642 8.848 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -2.124 10.068 7.424 1.00 0.00 O ATOM 0 H GLU A 79 -3.956 5.199 4.990 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.547 6.509 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.369 6.352 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.245 6.588 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.624 8.323 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.266 8.554 6.235 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.439 3.734 7.318 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.946 2.681 8.196 1.00 0.00 C ATOM 1080 C LYS A 80 -0.765 1.977 7.540 1.00 0.00 C ATOM 1081 O LYS A 80 0.244 1.691 8.188 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.058 1.675 8.510 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.357 1.544 9.996 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.731 2.095 10.339 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.666 3.568 10.709 1.00 0.00 C ATOM 1086 NZ LYS A 80 -6.012 4.205 10.696 1.00 0.00 N ATOM 0 H LYS A 80 -3.352 3.549 6.902 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.619 3.129 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.967 1.977 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.775 0.698 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.301 0.495 10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.597 2.076 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.400 1.962 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.154 1.529 11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.224 3.674 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.011 4.089 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.924 5.209 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.424 4.127 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.630 3.725 11.381 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.895 1.716 6.242 1.00 0.00 N ATOM 1101 CA LEU A 81 0.163 1.060 5.484 1.00 0.00 C ATOM 1102 C LEU A 81 1.404 1.951 5.431 1.00 0.00 C ATOM 1103 O LEU A 81 2.518 1.487 5.678 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.327 0.713 4.065 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.367 -0.782 3.714 1.00 0.00 C ATOM 1106 CD1 LEU A 81 0.961 -1.225 3.123 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.722 -1.628 4.930 1.00 0.00 C ATOM 0 H LEU A 81 -1.723 1.949 5.694 1.00 0.00 H new ATOM 0 HA LEU A 81 0.430 0.130 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.329 1.123 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.318 1.218 3.346 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.147 -0.930 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.915 -2.287 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.165 -0.654 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.757 -1.053 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.742 -2.681 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.024 -1.476 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.703 -1.334 5.304 1.00 0.00 H new ATOM 1113 N GLU A 82 1.210 3.236 5.131 1.00 0.00 N ATOM 1114 CA GLU A 82 2.327 4.172 5.080 1.00 0.00 C ATOM 1115 C GLU A 82 2.916 4.353 6.470 1.00 0.00 C ATOM 1116 O GLU A 82 4.109 4.133 6.692 1.00 0.00 O ATOM 1117 CB GLU A 82 1.871 5.519 4.529 1.00 0.00 C ATOM 1118 CG GLU A 82 3.012 6.487 4.271 1.00 0.00 C ATOM 1119 CD GLU A 82 3.171 7.508 5.381 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.537 7.109 6.507 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.928 8.706 5.126 1.00 0.00 O ATOM 0 H GLU A 82 0.300 3.646 4.922 1.00 0.00 H new ATOM 0 HA GLU A 82 3.091 3.766 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.326 5.356 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.173 5.972 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.941 5.927 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.838 7.005 3.328 1.00 0.00 H new ATOM 1128 N ARG A 83 2.061 4.736 7.414 1.00 0.00 N ATOM 1129 CA ARG A 83 2.489 4.922 8.796 1.00 0.00 C ATOM 1130 C ARG A 83 3.266 3.697 9.260 1.00 0.00 C ATOM 1131 O ARG A 83 4.344 3.810 9.848 1.00 0.00 O ATOM 1132 CB ARG A 83 1.281 5.157 9.706 1.00 0.00 C ATOM 1133 CG ARG A 83 1.654 5.637 11.099 1.00 0.00 C ATOM 1134 CD ARG A 83 0.510 6.400 11.749 1.00 0.00 C ATOM 1135 NE ARG A 83 0.533 6.284 13.205 1.00 0.00 N ATOM 1136 CZ ARG A 83 -0.513 6.543 13.986 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.666 6.933 13.456 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.406 6.411 15.302 1.00 0.00 N ATOM 0 H ARG A 83 1.072 4.923 7.248 1.00 0.00 H new ATOM 0 HA ARG A 83 3.134 5.799 8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.624 5.892 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.714 4.230 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.922 4.782 11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.534 6.278 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.570 7.451 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.440 6.022 11.370 1.00 0.00 H new ATOM 0 HE ARG A 83 1.402 5.987 13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.754 7.036 12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.464 7.130 14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.477 6.111 15.714 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.207 6.609 15.901 1.00 0.00 H new ATOM 1152 N GLN A 84 2.721 2.521 8.957 1.00 0.00 N ATOM 1153 CA GLN A 84 3.372 1.270 9.309 1.00 0.00 C ATOM 1154 C GLN A 84 4.699 1.168 8.570 1.00 0.00 C ATOM 1155 O GLN A 84 5.692 0.686 9.116 1.00 0.00 O ATOM 1156 CB GLN A 84 2.473 0.083 8.965 1.00 0.00 C ATOM 1157 CG GLN A 84 1.411 -0.195 10.011 1.00 0.00 C ATOM 1158 CD GLN A 84 0.525 -1.370 9.649 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.013 -2.453 9.323 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.786 -1.163 9.704 1.00 0.00 N ATOM 0 H GLN A 84 1.832 2.412 8.469 1.00 0.00 H new ATOM 0 HA GLN A 84 3.557 1.251 10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.988 0.271 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.091 -0.806 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.893 -0.391 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.793 0.694 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.147 -0.250 9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.432 -1.917 9.471 1.00 0.00 H new ATOM 1167 N LEU A 85 4.714 1.658 7.330 1.00 0.00 N ATOM 1168 CA LEU A 85 5.928 1.658 6.522 1.00 0.00 C ATOM 1169 C LEU A 85 7.010 2.447 7.244 1.00 0.00 C ATOM 1170 O LEU A 85 8.124 1.962 7.462 1.00 0.00 O ATOM 1171 CB LEU A 85 5.653 2.289 5.151 1.00 0.00 C ATOM 1172 CG LEU A 85 5.737 1.340 3.957 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.827 1.823 2.836 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.175 1.222 3.470 1.00 0.00 C ATOM 0 H LEU A 85 3.899 2.059 6.866 1.00 0.00 H new ATOM 0 HA LEU A 85 6.260 0.631 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.658 2.734 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.363 3.102 4.997 1.00 0.00 H new ATOM 0 HG LEU A 85 5.402 0.352 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.896 1.138 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.797 1.857 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.135 2.820 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.216 0.542 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.539 2.204 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.801 0.835 4.274 1.00 0.00 H new ATOM 1180 N ASN A 86 6.660 3.665 7.637 1.00 0.00 N ATOM 1181 CA ASN A 86 7.584 4.518 8.363 1.00 0.00 C ATOM 1182 C ASN A 86 7.964 3.848 9.676 1.00 0.00 C ATOM 1183 O ASN A 86 9.101 3.948 10.130 1.00 0.00 O ATOM 1184 CB ASN A 86 6.956 5.890 8.623 1.00 0.00 C ATOM 1185 CG ASN A 86 7.926 7.027 8.368 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.139 6.863 8.490 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.393 8.190 8.011 1.00 0.00 N ATOM 0 H ASN A 86 5.745 4.081 7.464 1.00 0.00 H new ATOM 0 HA ASN A 86 8.482 4.666 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.081 6.013 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.608 5.938 9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.996 8.992 7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.381 8.281 7.922 1.00 0.00 H new ATOM 1192 N LYS A 87 7.002 3.145 10.267 1.00 0.00 N ATOM 1193 CA LYS A 87 7.230 2.438 11.521 1.00 0.00 C ATOM 1194 C LYS A 87 8.232 1.308 11.335 1.00 0.00 C ATOM 1195 O LYS A 87 9.244 1.253 12.030 1.00 0.00 O ATOM 1196 CB LYS A 87 5.919 1.867 12.063 1.00 0.00 C ATOM 1197 CG LYS A 87 5.540 2.404 13.432 1.00 0.00 C ATOM 1198 CD LYS A 87 4.857 1.339 14.277 1.00 0.00 C ATOM 1199 CE LYS A 87 5.312 1.402 15.726 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.731 0.978 15.882 1.00 0.00 N ATOM 0 H LYS A 87 6.056 3.050 9.896 1.00 0.00 H new ATOM 0 HA LYS A 87 7.634 3.155 12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.117 2.091 11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.001 0.781 12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.434 2.760 13.945 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.876 3.261 13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.776 1.472 14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.076 0.353 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.194 2.419 16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.673 0.763 16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.911 0.725 16.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.916 0.153 15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.359 1.759 15.605 1.00 0.00 H new ATOM 1214 N LEU A 88 7.951 0.400 10.400 1.00 0.00 N ATOM 1215 CA LEU A 88 8.851 -0.718 10.158 1.00 0.00 C ATOM 1216 C LEU A 88 10.228 -0.202 9.790 1.00 0.00 C ATOM 1217 O LEU A 88 11.235 -0.605 10.371 1.00 0.00 O ATOM 1218 CB LEU A 88 8.306 -1.649 9.073 1.00 0.00 C ATOM 1219 CG LEU A 88 8.268 -1.101 7.647 1.00 0.00 C ATOM 1220 CD1 LEU A 88 9.554 -1.432 6.909 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.074 -1.675 6.901 1.00 0.00 C ATOM 0 H LEU A 88 7.120 0.418 9.808 1.00 0.00 H new ATOM 0 HA LEU A 88 8.928 -1.302 11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.908 -2.557 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.293 -1.939 9.352 1.00 0.00 H new ATOM 0 HG LEU A 88 8.170 -0.017 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.505 -1.033 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.400 -0.988 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.681 -2.514 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.055 -1.279 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.155 -2.761 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.155 -1.397 7.416 1.00 0.00 H new ATOM 1227 N GLN A 89 10.256 0.719 8.844 1.00 0.00 N ATOM 1228 CA GLN A 89 11.512 1.327 8.418 1.00 0.00 C ATOM 1229 C GLN A 89 12.184 2.015 9.606 1.00 0.00 C ATOM 1230 O GLN A 89 13.411 2.090 9.687 1.00 0.00 O ATOM 1231 CB GLN A 89 11.269 2.338 7.296 1.00 0.00 C ATOM 1232 CG GLN A 89 11.021 1.696 5.943 1.00 0.00 C ATOM 1233 CD GLN A 89 10.890 2.710 4.837 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.877 3.918 5.077 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.793 2.222 3.612 1.00 0.00 N ATOM 0 H GLN A 89 9.430 1.064 8.355 1.00 0.00 H new ATOM 0 HA GLN A 89 12.167 0.543 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.412 2.959 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.131 3.000 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.841 1.015 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.112 1.096 5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.808 1.213 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.703 2.854 2.817 1.00 0.00 H new ATOM 1242 N HIS A 90 11.360 2.505 10.530 1.00 0.00 N ATOM 1243 CA HIS A 90 11.846 3.181 11.730 1.00 0.00 C ATOM 1244 C HIS A 90 12.285 2.172 12.778 1.00 0.00 C ATOM 1245 O HIS A 90 13.187 2.437 13.574 1.00 0.00 O ATOM 1246 CB HIS A 90 10.738 4.047 12.326 1.00 0.00 C ATOM 1247 CG HIS A 90 10.631 5.406 11.706 1.00 0.00 C ATOM 1248 ND1 HIS A 90 9.783 6.432 11.960 1.00 0.00 N flip ATOM 1249 CD2 HIS A 90 11.462 5.840 10.694 1.00 0.00 C flip ATOM 1250 CE1 HIS A 90 10.117 7.455 11.106 1.00 0.00 C flip ATOM 1251 NE2 HIS A 90 11.132 7.074 10.354 1.00 0.00 N flip ATOM 0 H HIS A 90 10.344 2.445 10.469 1.00 0.00 H new ATOM 0 HA HIS A 90 12.697 3.800 11.444 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.785 3.530 12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.914 4.159 13.396 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.258 5.262 10.249 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.627 8.416 11.058 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.585 7.636 9.633 1.00 0.00 H new