USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 735 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 49 LYS NZ :NH3+ -124:sc= 1.38 (180deg=-0.146) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.207 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.91 K(o=-2.9,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.26 K(o=-1.3,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.87) USER MOD Single : A 34 SER OG : rot 31:sc= 0.67 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.32) USER MOD Single : A 45 THR OG1 : rot -140:sc= -0.205 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= -1.67 (180deg=-1.69) USER MOD Single : A 63 GLN : amide:sc= -0.0072 K(o=-0.0072,f=-1.8!) USER MOD Single : A 66 SER OG : rot 19:sc= -1 USER MOD Single : A 67 TYR OH : rot 30:sc= 0.654 USER MOD Single : A 71 SER OG : rot 39:sc= -2.07! USER MOD Single : A 78 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.25) USER MOD Single : A 82 GLN :FLIP amide:sc= -7.53! C(o=-8.8!,f=-7.5!) USER MOD Single : A 84 GLN : amide:sc= -0.909 K(o=-0.91,f=-1.6!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.398 F(o=-2,f=-0.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0701 F(o=-0.99,f=-0.07) USER MOD Single : A 89 SER OG : rot 31:sc= 0.603 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -36:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.888 5.330 -8.568 1.00 0.00 N ATOM 36 CA PRO A 3 -11.335 4.641 -7.362 1.00 0.00 C ATOM 37 C PRO A 3 -11.500 5.468 -6.077 1.00 0.00 C ATOM 38 O PRO A 3 -11.397 6.683 -6.069 1.00 0.00 O ATOM 39 CB PRO A 3 -9.844 4.423 -7.698 1.00 0.00 C ATOM 40 CG PRO A 3 -9.536 5.386 -8.805 1.00 0.00 C ATOM 41 CD PRO A 3 -10.844 5.602 -9.570 1.00 0.00 C ATOM 0 HA PRO A 3 -11.865 3.711 -7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.215 4.611 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.658 3.395 -8.010 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.160 6.328 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.763 4.987 -9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.917 6.618 -9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.924 4.929 -10.423 1.00 0.00 H new ATOM 49 N GLN A 4 -11.751 4.802 -4.983 1.00 0.00 N ATOM 50 CA GLN A 4 -11.927 5.523 -3.693 1.00 0.00 C ATOM 51 C GLN A 4 -10.564 5.732 -3.036 1.00 0.00 C ATOM 52 O GLN A 4 -10.097 4.929 -2.248 1.00 0.00 O ATOM 53 CB GLN A 4 -12.831 4.702 -2.777 1.00 0.00 C ATOM 54 CG GLN A 4 -14.249 4.692 -3.351 1.00 0.00 C ATOM 55 CD GLN A 4 -15.153 3.810 -2.487 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.735 3.311 -1.460 1.00 0.00 O ATOM 57 NE2 GLN A 4 -16.386 3.595 -2.863 1.00 0.00 N ATOM 0 H GLN A 4 -11.842 3.788 -4.928 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.386 6.495 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.453 3.683 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.835 5.127 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.644 5.707 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.234 4.319 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.737 4.014 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.998 3.009 -2.295 1.00 0.00 H new ATOM 66 N LEU A 5 -9.932 6.823 -3.364 1.00 0.00 N ATOM 67 CA LEU A 5 -8.595 7.131 -2.785 1.00 0.00 C ATOM 68 C LEU A 5 -8.749 7.610 -1.345 1.00 0.00 C ATOM 69 O LEU A 5 -9.643 8.370 -1.017 1.00 0.00 O ATOM 70 CB LEU A 5 -7.925 8.226 -3.627 1.00 0.00 C ATOM 71 CG LEU A 5 -7.191 7.596 -4.819 1.00 0.00 C ATOM 72 CD1 LEU A 5 -5.951 6.808 -4.336 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.149 6.655 -5.565 1.00 0.00 C ATOM 0 H LEU A 5 -10.288 7.522 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.979 6.232 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.675 8.932 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.222 8.790 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.857 8.388 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.443 6.368 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.270 7.483 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.265 6.017 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.631 6.206 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.488 5.870 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.009 7.221 -5.924 1.00 0.00 H new ATOM 85 N THR A 6 -7.869 7.162 -0.486 1.00 0.00 N ATOM 86 CA THR A 6 -7.921 7.567 0.949 1.00 0.00 C ATOM 87 C THR A 6 -6.581 8.187 1.353 1.00 0.00 C ATOM 88 O THR A 6 -5.523 7.634 1.113 1.00 0.00 O ATOM 89 CB THR A 6 -8.208 6.339 1.809 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.446 5.768 1.414 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.283 6.755 3.278 1.00 0.00 C ATOM 0 H THR A 6 -7.108 6.525 -0.722 1.00 0.00 H new ATOM 0 HA THR A 6 -8.712 8.302 1.096 1.00 0.00 H new ATOM 0 HB THR A 6 -7.411 5.606 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.789 5.199 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.488 5.879 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.333 7.197 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.081 7.486 3.409 1.00 0.00 H new ATOM 99 N LYS A 7 -6.628 9.341 1.962 1.00 0.00 N ATOM 100 CA LYS A 7 -5.377 10.027 2.387 1.00 0.00 C ATOM 101 C LYS A 7 -4.857 9.425 3.695 1.00 0.00 C ATOM 102 O LYS A 7 -5.605 8.877 4.485 1.00 0.00 O ATOM 103 CB LYS A 7 -5.664 11.517 2.592 1.00 0.00 C ATOM 104 CG LYS A 7 -5.969 12.168 1.240 1.00 0.00 C ATOM 105 CD LYS A 7 -6.107 13.687 1.410 1.00 0.00 C ATOM 106 CE LYS A 7 -7.401 14.023 2.160 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.704 15.472 2.000 1.00 0.00 N ATOM 0 H LYS A 7 -7.489 9.841 2.185 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.620 9.896 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.509 11.646 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.806 12.003 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.172 11.944 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.889 11.755 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.249 14.078 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.109 14.170 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.225 13.423 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.296 13.777 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.582 15.701 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.921 16.035 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.821 15.693 0.990 1.00 0.00 H new ATOM 121 N ILE A 8 -3.574 9.521 3.919 1.00 0.00 N ATOM 122 CA ILE A 8 -2.976 8.961 5.164 1.00 0.00 C ATOM 123 C ILE A 8 -3.550 9.679 6.389 1.00 0.00 C ATOM 124 O ILE A 8 -3.881 9.069 7.390 1.00 0.00 O ATOM 125 CB ILE A 8 -1.456 9.151 5.132 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.851 8.285 4.023 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.860 8.736 6.482 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.610 8.687 3.798 1.00 0.00 C ATOM 0 H ILE A 8 -2.910 9.967 3.287 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.213 7.899 5.226 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.229 10.199 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.911 7.232 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.419 8.408 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.221 8.871 6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.286 9.353 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.091 7.688 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.040 8.070 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.658 9.736 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.174 8.541 4.720 1.00 0.00 H new ATOM 140 N VAL A 9 -3.652 10.977 6.317 1.00 0.00 N ATOM 141 CA VAL A 9 -4.194 11.752 7.469 1.00 0.00 C ATOM 142 C VAL A 9 -5.667 11.388 7.687 1.00 0.00 C ATOM 143 O VAL A 9 -6.201 11.529 8.773 1.00 0.00 O ATOM 144 CB VAL A 9 -4.064 13.250 7.175 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.956 13.627 5.990 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.488 14.052 8.407 1.00 0.00 C ATOM 0 H VAL A 9 -3.383 11.536 5.508 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.632 11.510 8.371 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.026 13.478 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.859 14.693 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.651 13.060 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.994 13.396 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.395 15.118 8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.524 13.820 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.847 13.791 9.249 1.00 0.00 H new ATOM 156 N ASP A 10 -6.324 10.913 6.663 1.00 0.00 N ATOM 157 CA ASP A 10 -7.759 10.530 6.800 1.00 0.00 C ATOM 158 C ASP A 10 -7.864 9.160 7.479 1.00 0.00 C ATOM 159 O ASP A 10 -8.944 8.682 7.777 1.00 0.00 O ATOM 160 CB ASP A 10 -8.396 10.460 5.408 1.00 0.00 C ATOM 161 CG ASP A 10 -8.570 11.870 4.843 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.469 12.812 5.609 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.807 11.986 3.650 1.00 0.00 O ATOM 0 H ASP A 10 -5.927 10.773 5.734 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.279 11.272 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.770 9.867 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.363 9.960 5.466 1.00 0.00 H new ATOM 168 N ILE A 11 -6.751 8.525 7.731 1.00 0.00 N ATOM 169 CA ILE A 11 -6.785 7.187 8.389 1.00 0.00 C ATOM 170 C ILE A 11 -6.923 7.361 9.904 1.00 0.00 C ATOM 171 O ILE A 11 -6.082 7.949 10.560 1.00 0.00 O ATOM 172 CB ILE A 11 -5.495 6.426 8.062 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.440 6.160 6.553 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.471 5.093 8.819 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.075 5.582 6.166 1.00 0.00 C ATOM 0 H ILE A 11 -5.819 8.875 7.509 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.639 6.620 8.019 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.634 7.022 8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.231 5.465 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.619 7.086 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.552 4.557 8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.515 5.283 9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.329 4.490 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.049 5.398 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.291 6.291 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.912 4.645 6.699 1.00 0.00 H new ATOM 187 N VAL A 12 -7.991 6.850 10.460 1.00 0.00 N ATOM 188 CA VAL A 12 -8.223 6.966 11.928 1.00 0.00 C ATOM 189 C VAL A 12 -8.957 5.717 12.424 1.00 0.00 C ATOM 190 O VAL A 12 -9.372 5.646 13.565 1.00 0.00 O ATOM 191 CB VAL A 12 -9.075 8.209 12.218 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.199 9.459 12.144 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.199 8.315 11.181 1.00 0.00 C ATOM 0 H VAL A 12 -8.721 6.351 9.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.266 7.057 12.442 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.506 8.125 13.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.805 10.341 12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.400 9.387 12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.766 9.541 11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.803 9.198 11.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.767 8.397 10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.827 7.426 11.233 1.00 0.00 H new ATOM 203 N GLU A 13 -9.131 4.732 11.573 1.00 0.00 N ATOM 204 CA GLU A 13 -9.852 3.488 11.993 1.00 0.00 C ATOM 205 C GLU A 13 -9.139 2.253 11.442 1.00 0.00 C ATOM 206 O GLU A 13 -8.802 2.177 10.275 1.00 0.00 O ATOM 207 CB GLU A 13 -11.290 3.530 11.476 1.00 0.00 C ATOM 208 CG GLU A 13 -12.074 4.591 12.252 1.00 0.00 C ATOM 209 CD GLU A 13 -13.481 4.722 11.668 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.809 3.952 10.782 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.210 5.591 12.121 1.00 0.00 O ATOM 0 H GLU A 13 -8.805 4.737 10.607 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.860 3.432 13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.299 3.761 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.760 2.554 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.131 4.317 13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.557 5.549 12.200 1.00 0.00 H new ATOM 218 N ASN A 14 -8.912 1.287 12.292 1.00 0.00 N ATOM 219 CA ASN A 14 -8.219 0.042 11.864 1.00 0.00 C ATOM 220 C ASN A 14 -9.216 -0.936 11.235 1.00 0.00 C ATOM 221 O ASN A 14 -10.395 -0.930 11.539 1.00 0.00 O ATOM 222 CB ASN A 14 -7.564 -0.619 13.080 1.00 0.00 C ATOM 223 CG ASN A 14 -8.637 -1.013 14.103 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.817 -0.846 13.865 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.268 -1.535 15.243 1.00 0.00 N ATOM 0 H ASN A 14 -9.181 1.310 13.276 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.460 0.299 11.125 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.006 -1.502 12.768 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.849 0.066 13.536 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.970 -1.802 15.933 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.278 -1.675 15.443 1.00 0.00 H new ATOM 232 N GLY A 15 -8.736 -1.777 10.362 1.00 0.00 N ATOM 233 CA GLY A 15 -9.620 -2.776 9.699 1.00 0.00 C ATOM 234 C GLY A 15 -10.551 -2.077 8.707 1.00 0.00 C ATOM 235 O GLY A 15 -11.682 -1.752 9.018 1.00 0.00 O ATOM 0 H GLY A 15 -7.758 -1.815 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.016 -3.520 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.207 -3.308 10.448 1.00 0.00 H new ATOM 239 N GLN A 16 -10.083 -1.850 7.511 1.00 0.00 N ATOM 240 CA GLN A 16 -10.936 -1.179 6.492 1.00 0.00 C ATOM 241 C GLN A 16 -10.270 -1.265 5.121 1.00 0.00 C ATOM 242 O GLN A 16 -9.078 -1.053 4.975 1.00 0.00 O ATOM 243 CB GLN A 16 -11.153 0.289 6.866 1.00 0.00 C ATOM 244 CG GLN A 16 -11.978 0.971 5.767 1.00 0.00 C ATOM 245 CD GLN A 16 -12.408 2.362 6.233 1.00 0.00 C ATOM 246 OE1 GLN A 16 -13.512 2.537 6.715 1.00 0.00 O ATOM 247 NE2 GLN A 16 -11.579 3.362 6.117 1.00 0.00 N ATOM 0 H GLN A 16 -9.146 -2.101 7.196 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.902 -1.683 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.670 0.361 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.194 0.793 6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.390 1.049 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.855 0.369 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.654 3.214 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.855 4.293 6.430 1.00 0.00 H new ATOM 256 N TRP A 17 -11.047 -1.576 4.115 1.00 0.00 N ATOM 257 CA TRP A 17 -10.501 -1.691 2.734 1.00 0.00 C ATOM 258 C TRP A 17 -10.615 -0.350 2.011 1.00 0.00 C ATOM 259 O TRP A 17 -11.596 0.361 2.137 1.00 0.00 O ATOM 260 CB TRP A 17 -11.294 -2.751 1.970 1.00 0.00 C ATOM 261 CG TRP A 17 -11.329 -4.011 2.771 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.183 -4.264 3.790 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.487 -5.190 2.641 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.916 -5.525 4.293 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.880 -6.137 3.617 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.430 -5.528 1.776 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.244 -7.374 3.731 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.790 -6.772 1.889 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.196 -7.694 2.863 1.00 0.00 C ATOM 0 H TRP A 17 -12.048 -1.757 4.195 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.450 -1.977 2.784 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.308 -2.398 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.835 -2.936 0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.947 -3.592 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.423 -5.951 5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.109 -4.826 1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.560 -8.080 4.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.979 -7.020 1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.700 -8.650 2.943 1.00 0.00 H new ATOM 280 N ALA A 18 -9.612 -0.001 1.255 1.00 0.00 N ATOM 281 CA ALA A 18 -9.644 1.292 0.517 1.00 0.00 C ATOM 282 C ALA A 18 -8.504 1.329 -0.500 1.00 0.00 C ATOM 283 O ALA A 18 -7.633 0.469 -0.512 1.00 0.00 O ATOM 284 CB ALA A 18 -9.493 2.452 1.501 1.00 0.00 C ATOM 0 H ALA A 18 -8.769 -0.558 1.116 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.597 1.386 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.517 3.396 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.311 2.427 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.543 2.361 2.028 1.00 0.00 H new ATOM 290 N ASN A 19 -8.511 2.318 -1.364 1.00 0.00 N ATOM 291 CA ASN A 19 -7.445 2.433 -2.405 1.00 0.00 C ATOM 292 C ASN A 19 -6.414 3.480 -1.983 1.00 0.00 C ATOM 293 O ASN A 19 -6.735 4.480 -1.365 1.00 0.00 O ATOM 294 CB ASN A 19 -8.078 2.860 -3.731 1.00 0.00 C ATOM 295 CG ASN A 19 -9.146 1.844 -4.140 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.833 0.741 -4.536 1.00 0.00 O ATOM 297 ND2 ASN A 19 -10.406 2.168 -4.059 1.00 0.00 N ATOM 0 H ASN A 19 -9.216 3.055 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.952 1.468 -2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.523 3.850 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.313 2.931 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.124 1.495 -4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.674 3.094 -3.727 1.00 0.00 H new ATOM 304 N LEU A 20 -5.171 3.252 -2.316 1.00 0.00 N ATOM 305 CA LEU A 20 -4.099 4.220 -1.946 1.00 0.00 C ATOM 306 C LEU A 20 -3.020 4.239 -3.032 1.00 0.00 C ATOM 307 O LEU A 20 -2.580 3.208 -3.509 1.00 0.00 O ATOM 308 CB LEU A 20 -3.471 3.799 -0.611 1.00 0.00 C ATOM 309 CG LEU A 20 -2.308 4.740 -0.247 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.800 6.195 -0.192 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.744 4.335 1.119 1.00 0.00 C ATOM 0 H LEU A 20 -4.851 2.432 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.531 5.216 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.225 3.820 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.110 2.773 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.530 4.662 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.969 6.851 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.199 6.481 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.582 6.286 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.920 4.997 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.527 4.412 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.383 3.307 1.074 1.00 0.00 H new ATOM 323 N LYS A 21 -2.584 5.413 -3.410 1.00 0.00 N ATOM 324 CA LYS A 21 -1.520 5.549 -4.453 1.00 0.00 C ATOM 325 C LYS A 21 -0.322 6.280 -3.851 1.00 0.00 C ATOM 326 O LYS A 21 -0.473 7.250 -3.128 1.00 0.00 O ATOM 327 CB LYS A 21 -2.062 6.345 -5.637 1.00 0.00 C ATOM 328 CG LYS A 21 -0.942 6.556 -6.657 1.00 0.00 C ATOM 329 CD LYS A 21 -1.530 7.061 -7.977 1.00 0.00 C ATOM 330 CE LYS A 21 -2.194 8.423 -7.763 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.388 9.090 -9.082 1.00 0.00 N ATOM 0 H LYS A 21 -2.925 6.298 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.214 4.561 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.894 5.813 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.447 7.307 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.218 7.275 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.406 5.621 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.744 7.144 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.260 6.346 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.154 8.298 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.575 9.044 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.839 10.016 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.465 9.222 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.995 8.498 -9.684 1.00 0.00 H new ATOM 345 N ALA A 22 0.869 5.822 -4.129 1.00 0.00 N ATOM 346 CA ALA A 22 2.064 6.501 -3.548 1.00 0.00 C ATOM 347 C ALA A 22 3.323 6.149 -4.335 1.00 0.00 C ATOM 348 O ALA A 22 3.316 5.299 -5.211 1.00 0.00 O ATOM 349 CB ALA A 22 2.248 6.061 -2.098 1.00 0.00 C ATOM 0 H ALA A 22 1.066 5.018 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 22 1.904 7.578 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.121 6.558 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.363 6.329 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.391 4.981 -2.061 1.00 0.00 H new ATOM 355 N LYS A 23 4.411 6.805 -4.012 1.00 0.00 N ATOM 356 CA LYS A 23 5.707 6.550 -4.709 1.00 0.00 C ATOM 357 C LYS A 23 6.698 5.922 -3.732 1.00 0.00 C ATOM 358 O LYS A 23 6.752 6.270 -2.567 1.00 0.00 O ATOM 359 CB LYS A 23 6.265 7.874 -5.234 1.00 0.00 C ATOM 360 CG LYS A 23 7.355 7.600 -6.275 1.00 0.00 C ATOM 361 CD LYS A 23 7.798 8.915 -6.924 1.00 0.00 C ATOM 362 CE LYS A 23 8.605 9.753 -5.925 1.00 0.00 C ATOM 363 NZ LYS A 23 9.362 10.803 -6.660 1.00 0.00 N ATOM 0 H LYS A 23 4.454 7.517 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 23 5.547 5.867 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.465 8.466 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.674 8.459 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.207 7.112 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.979 6.917 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.402 8.708 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.925 9.476 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.938 10.213 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.292 9.115 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.910 11.373 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.009 10.353 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.696 11.417 -7.171 1.00 0.00 H new ATOM 377 N VAL A 24 7.473 4.983 -4.203 1.00 0.00 N ATOM 378 CA VAL A 24 8.456 4.304 -3.314 1.00 0.00 C ATOM 379 C VAL A 24 9.684 5.190 -3.095 1.00 0.00 C ATOM 380 O VAL A 24 10.263 5.718 -4.030 1.00 0.00 O ATOM 381 CB VAL A 24 8.887 2.985 -3.954 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.941 2.302 -3.079 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.669 2.067 -4.091 1.00 0.00 C ATOM 0 H VAL A 24 7.467 4.656 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 24 7.986 4.114 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 24 9.312 3.184 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.244 1.362 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.809 2.954 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.522 2.103 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.973 1.125 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.247 1.873 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.919 2.549 -4.718 1.00 0.00 H new ATOM 393 N ILE A 25 10.091 5.336 -1.858 1.00 0.00 N ATOM 394 CA ILE A 25 11.293 6.161 -1.530 1.00 0.00 C ATOM 395 C ILE A 25 12.282 5.303 -0.741 1.00 0.00 C ATOM 396 O ILE A 25 13.483 5.490 -0.806 1.00 0.00 O ATOM 397 CB ILE A 25 10.877 7.372 -0.694 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.075 6.914 0.531 1.00 0.00 C ATOM 399 CG2 ILE A 25 10.018 8.301 -1.551 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.860 8.105 1.462 1.00 0.00 C ATOM 0 H ILE A 25 9.634 4.912 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 25 11.761 6.512 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 25 11.768 7.901 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.115 6.502 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.608 6.120 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.718 9.167 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.593 8.633 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.130 7.767 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.290 7.786 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.826 8.496 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.310 8.884 0.935 1.00 0.00 H new ATOM 412 N GLN A 26 11.783 4.354 0.011 1.00 0.00 N ATOM 413 CA GLN A 26 12.686 3.476 0.806 1.00 0.00 C ATOM 414 C GLN A 26 12.044 2.097 0.971 1.00 0.00 C ATOM 415 O GLN A 26 10.922 1.966 1.430 1.00 0.00 O ATOM 416 CB GLN A 26 12.926 4.099 2.181 1.00 0.00 C ATOM 417 CG GLN A 26 13.967 3.277 2.947 1.00 0.00 C ATOM 418 CD GLN A 26 15.325 3.394 2.252 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.697 4.458 1.792 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.086 2.339 2.149 1.00 0.00 N ATOM 0 H GLN A 26 10.788 4.152 0.107 1.00 0.00 H new ATOM 0 HA GLN A 26 13.639 3.371 0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.271 5.127 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.992 4.135 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.041 3.632 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.659 2.232 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.776 1.447 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.991 2.407 1.684 1.00 0.00 H new ATOM 429 N LEU A 27 12.759 1.068 0.601 1.00 0.00 N ATOM 430 CA LEU A 27 12.223 -0.322 0.721 1.00 0.00 C ATOM 431 C LEU A 27 13.320 -1.264 1.224 1.00 0.00 C ATOM 432 O LEU A 27 14.450 -1.219 0.772 1.00 0.00 O ATOM 433 CB LEU A 27 11.692 -0.803 -0.638 1.00 0.00 C ATOM 434 CG LEU A 27 12.842 -1.034 -1.637 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.248 -1.436 -2.992 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.669 0.249 -1.806 1.00 0.00 C ATOM 0 H LEU A 27 13.702 1.131 0.217 1.00 0.00 H new ATOM 0 HA LEU A 27 11.402 -0.324 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.131 -1.728 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.999 -0.065 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 27 13.492 -1.824 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.053 -1.602 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.669 -2.352 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.599 -0.640 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.478 0.070 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.029 1.048 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.088 0.541 -0.843 1.00 0.00 H new ATOM 448 N TRP A 28 12.984 -2.116 2.161 1.00 0.00 N ATOM 449 CA TRP A 28 13.979 -3.082 2.722 1.00 0.00 C ATOM 450 C TRP A 28 13.411 -4.501 2.630 1.00 0.00 C ATOM 451 O TRP A 28 12.336 -4.791 3.130 1.00 0.00 O ATOM 452 CB TRP A 28 14.262 -2.730 4.182 1.00 0.00 C ATOM 453 CG TRP A 28 15.266 -3.687 4.738 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.601 -3.610 4.535 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.045 -4.854 5.584 1.00 0.00 C ATOM 456 NE1 TRP A 28 17.214 -4.658 5.195 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.298 -5.453 5.855 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.893 -5.449 6.129 1.00 0.00 C ATOM 459 CZ2 TRP A 28 16.406 -6.596 6.647 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.999 -6.600 6.927 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.252 -7.174 7.182 1.00 0.00 C ATOM 0 H TRP A 28 12.050 -2.184 2.566 1.00 0.00 H new ATOM 0 HA TRP A 28 14.908 -3.027 2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.637 -1.709 4.255 1.00 0.00 H new ATOM 0 HB3 TRP A 28 13.341 -2.774 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 28 17.105 -2.853 3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 28 18.220 -4.824 5.195 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.922 -5.019 5.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.374 -7.031 6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.109 -7.046 7.347 1.00 0.00 H new ATOM 0 HH2 TRP A 28 15.325 -8.062 7.792 1.00 0.00 H new ATOM 472 N GLU A 29 14.129 -5.384 1.987 1.00 0.00 N ATOM 473 CA GLU A 29 13.655 -6.789 1.837 1.00 0.00 C ATOM 474 C GLU A 29 13.463 -7.427 3.213 1.00 0.00 C ATOM 475 O GLU A 29 14.261 -7.246 4.116 1.00 0.00 O ATOM 476 CB GLU A 29 14.683 -7.590 1.037 1.00 0.00 C ATOM 477 CG GLU A 29 14.158 -9.011 0.807 1.00 0.00 C ATOM 478 CD GLU A 29 15.151 -9.799 -0.050 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.267 -9.334 -0.209 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.777 -10.857 -0.529 1.00 0.00 O ATOM 0 H GLU A 29 15.032 -5.188 1.556 1.00 0.00 H new ATOM 0 HA GLU A 29 12.701 -6.791 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.875 -7.103 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.631 -7.624 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.011 -9.513 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.187 -8.974 0.313 1.00 0.00 H new ATOM 547 N SER A 34 6.550 -15.189 6.472 1.00 0.00 N ATOM 548 CA SER A 34 5.222 -14.523 6.587 1.00 0.00 C ATOM 549 C SER A 34 5.274 -13.154 5.904 1.00 0.00 C ATOM 550 O SER A 34 4.339 -12.744 5.242 1.00 0.00 O ATOM 551 CB SER A 34 4.853 -14.353 8.069 1.00 0.00 C ATOM 552 OG SER A 34 5.394 -15.435 8.809 1.00 0.00 O ATOM 0 HA SER A 34 4.466 -15.139 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.241 -13.407 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.770 -14.322 8.186 1.00 0.00 H new ATOM 0 HG SER A 34 6.223 -15.740 8.384 1.00 0.00 H new ATOM 558 N ILE A 35 6.362 -12.445 6.067 1.00 0.00 N ATOM 559 CA ILE A 35 6.494 -11.097 5.440 1.00 0.00 C ATOM 560 C ILE A 35 7.504 -11.149 4.292 1.00 0.00 C ATOM 561 O ILE A 35 8.669 -11.451 4.480 1.00 0.00 O ATOM 562 CB ILE A 35 6.965 -10.099 6.498 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.923 -10.022 7.619 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.134 -8.718 5.861 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.493 -9.237 8.803 1.00 0.00 C ATOM 0 H ILE A 35 7.170 -12.746 6.612 1.00 0.00 H new ATOM 0 HA ILE A 35 5.528 -10.785 5.043 1.00 0.00 H new ATOM 0 HB ILE A 35 7.921 -10.426 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.017 -9.539 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.643 -11.026 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.470 -8.008 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.873 -8.774 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.180 -8.387 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.748 -9.185 9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.387 -9.738 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.751 -8.228 8.481 1.00 0.00 H new ATOM 577 N SER A 36 7.057 -10.845 3.103 1.00 0.00 N ATOM 578 CA SER A 36 7.967 -10.856 1.924 1.00 0.00 C ATOM 579 C SER A 36 8.856 -9.608 1.948 1.00 0.00 C ATOM 580 O SER A 36 10.066 -9.679 1.828 1.00 0.00 O ATOM 581 CB SER A 36 7.123 -10.860 0.645 1.00 0.00 C ATOM 582 OG SER A 36 7.901 -11.364 -0.431 1.00 0.00 O ATOM 0 H SER A 36 6.092 -10.587 2.898 1.00 0.00 H new ATOM 0 HA SER A 36 8.598 -11.744 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.234 -11.475 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.780 -9.850 0.419 1.00 0.00 H new ATOM 0 HG SER A 36 7.362 -11.369 -1.250 1.00 0.00 H new ATOM 588 N GLN A 37 8.255 -8.457 2.097 1.00 0.00 N ATOM 589 CA GLN A 37 9.048 -7.192 2.122 1.00 0.00 C ATOM 590 C GLN A 37 8.346 -6.146 2.985 1.00 0.00 C ATOM 591 O GLN A 37 7.143 -6.174 3.169 1.00 0.00 O ATOM 592 CB GLN A 37 9.198 -6.652 0.697 1.00 0.00 C ATOM 593 CG GLN A 37 9.942 -5.312 0.732 1.00 0.00 C ATOM 594 CD GLN A 37 10.289 -4.877 -0.693 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.446 -4.893 -1.569 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.505 -4.489 -0.962 1.00 0.00 N ATOM 0 H GLN A 37 7.248 -8.338 2.203 1.00 0.00 H new ATOM 0 HA GLN A 37 10.031 -7.402 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.744 -7.367 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.217 -6.523 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.324 -4.554 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.851 -5.405 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.211 -4.476 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.750 -4.198 -1.909 1.00 0.00 H new ATOM 605 N VAL A 38 9.099 -5.212 3.506 1.00 0.00 N ATOM 606 CA VAL A 38 8.501 -4.139 4.353 1.00 0.00 C ATOM 607 C VAL A 38 9.214 -2.817 4.076 1.00 0.00 C ATOM 608 O VAL A 38 10.421 -2.770 3.915 1.00 0.00 O ATOM 609 CB VAL A 38 8.638 -4.507 5.832 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.116 -4.674 6.199 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.027 -3.394 6.687 1.00 0.00 C ATOM 0 H VAL A 38 10.109 -5.147 3.380 1.00 0.00 H new ATOM 0 HA VAL A 38 7.443 -4.035 4.113 1.00 0.00 H new ATOM 0 HB VAL A 38 8.117 -5.447 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.202 -4.936 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.554 -5.466 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.645 -3.739 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.122 -3.652 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.550 -2.458 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.973 -3.279 6.435 1.00 0.00 H new ATOM 621 N GLY A 39 8.476 -1.744 4.016 1.00 0.00 N ATOM 622 CA GLY A 39 9.108 -0.423 3.744 1.00 0.00 C ATOM 623 C GLY A 39 8.080 0.690 3.919 1.00 0.00 C ATOM 624 O GLY A 39 7.040 0.501 4.524 1.00 0.00 O ATOM 0 H GLY A 39 7.464 -1.724 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.947 -0.265 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.509 -0.404 2.731 1.00 0.00 H new ATOM 628 N LEU A 40 8.370 1.859 3.402 1.00 0.00 N ATOM 629 CA LEU A 40 7.427 3.008 3.538 1.00 0.00 C ATOM 630 C LEU A 40 7.282 3.720 2.198 1.00 0.00 C ATOM 631 O LEU A 40 8.202 3.770 1.401 1.00 0.00 O ATOM 632 CB LEU A 40 7.960 3.988 4.588 1.00 0.00 C ATOM 633 CG LEU A 40 9.466 4.276 4.343 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.786 5.728 4.721 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.331 3.338 5.201 1.00 0.00 C ATOM 0 H LEU A 40 9.226 2.066 2.888 1.00 0.00 H new ATOM 0 HA LEU A 40 6.452 2.636 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.394 4.918 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.820 3.573 5.586 1.00 0.00 H new ATOM 0 HG LEU A 40 9.684 4.110 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.844 5.925 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.186 6.403 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.555 5.889 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.385 3.549 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.104 3.497 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.118 2.302 4.936 1.00 0.00 H new ATOM 647 N LEU A 41 6.118 4.269 1.949 1.00 0.00 N ATOM 648 CA LEU A 41 5.863 4.981 0.662 1.00 0.00 C ATOM 649 C LEU A 41 5.670 6.473 0.932 1.00 0.00 C ATOM 650 O LEU A 41 5.016 6.875 1.883 1.00 0.00 O ATOM 651 CB LEU A 41 4.600 4.417 0.009 1.00 0.00 C ATOM 652 CG LEU A 41 4.718 2.895 -0.142 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.416 2.342 -0.730 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.884 2.550 -1.077 1.00 0.00 C ATOM 0 H LEU A 41 5.326 4.253 2.592 1.00 0.00 H new ATOM 0 HA LEU A 41 6.714 4.839 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.728 4.663 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.450 4.876 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 41 4.900 2.451 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.496 1.260 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.586 2.579 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.238 2.792 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.961 1.467 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.709 2.995 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.812 2.942 -0.661 1.00 0.00 H new ATOM 666 N GLY A 42 6.249 7.289 0.094 1.00 0.00 N ATOM 667 CA GLY A 42 6.140 8.762 0.261 1.00 0.00 C ATOM 668 C GLY A 42 4.837 9.281 -0.344 1.00 0.00 C ATOM 669 O GLY A 42 4.370 8.804 -1.368 1.00 0.00 O ATOM 0 H GLY A 42 6.801 6.991 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.181 9.017 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.989 9.251 -0.218 1.00 0.00 H new ATOM 673 N ASP A 43 4.254 10.267 0.287 1.00 0.00 N ATOM 674 CA ASP A 43 2.985 10.857 -0.220 1.00 0.00 C ATOM 675 C ASP A 43 2.925 12.336 0.162 1.00 0.00 C ATOM 676 O ASP A 43 3.611 12.787 1.061 1.00 0.00 O ATOM 677 CB ASP A 43 1.794 10.117 0.398 1.00 0.00 C ATOM 678 CG ASP A 43 1.620 8.759 -0.284 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.013 8.639 -1.432 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.085 7.866 0.351 1.00 0.00 O ATOM 0 H ASP A 43 4.610 10.692 1.143 1.00 0.00 H new ATOM 0 HA ASP A 43 2.946 10.761 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.954 9.980 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.887 10.710 0.285 1.00 0.00 H new ATOM 685 N GLU A 44 2.107 13.089 -0.519 1.00 0.00 N ATOM 686 CA GLU A 44 1.986 14.542 -0.210 1.00 0.00 C ATOM 687 C GLU A 44 1.392 14.722 1.190 1.00 0.00 C ATOM 688 O GLU A 44 1.545 15.754 1.816 1.00 0.00 O ATOM 689 CB GLU A 44 1.070 15.206 -1.242 1.00 0.00 C ATOM 690 CG GLU A 44 1.016 16.712 -0.975 1.00 0.00 C ATOM 691 CD GLU A 44 0.182 17.407 -2.056 1.00 0.00 C ATOM 692 OE1 GLU A 44 -0.063 16.790 -3.079 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.191 18.548 -1.841 1.00 0.00 O ATOM 0 H GLU A 44 1.514 12.759 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 44 2.973 15.004 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.441 15.017 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.069 14.779 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.582 16.900 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.025 17.124 -0.962 1.00 0.00 H new ATOM 700 N THR A 45 0.713 13.720 1.686 1.00 0.00 N ATOM 701 CA THR A 45 0.103 13.824 3.044 1.00 0.00 C ATOM 702 C THR A 45 1.101 13.331 4.091 1.00 0.00 C ATOM 703 O THR A 45 0.845 13.381 5.280 1.00 0.00 O ATOM 704 CB THR A 45 -1.169 12.972 3.100 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.832 11.600 2.935 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.123 13.407 1.985 1.00 0.00 C ATOM 0 H THR A 45 0.555 12.833 1.208 1.00 0.00 H new ATOM 0 HA THR A 45 -0.151 14.864 3.250 1.00 0.00 H new ATOM 0 HB THR A 45 -1.656 13.108 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.502 11.165 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.028 12.801 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.383 14.457 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.638 13.273 1.018 1.00 0.00 H new ATOM 714 N GLY A 46 2.246 12.866 3.659 1.00 0.00 N ATOM 715 CA GLY A 46 3.282 12.381 4.624 1.00 0.00 C ATOM 716 C GLY A 46 3.836 11.033 4.174 1.00 0.00 C ATOM 717 O GLY A 46 3.945 10.751 2.995 1.00 0.00 O ATOM 0 H GLY A 46 2.510 12.801 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.091 13.108 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.847 12.289 5.619 1.00 0.00 H new ATOM 721 N ILE A 47 4.194 10.201 5.121 1.00 0.00 N ATOM 722 CA ILE A 47 4.757 8.857 4.794 1.00 0.00 C ATOM 723 C ILE A 47 3.955 7.777 5.505 1.00 0.00 C ATOM 724 O ILE A 47 3.365 8.007 6.548 1.00 0.00 O ATOM 725 CB ILE A 47 6.220 8.790 5.244 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.328 9.064 6.753 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.033 9.832 4.481 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.780 8.864 7.201 1.00 0.00 C ATOM 0 H ILE A 47 4.118 10.400 6.119 1.00 0.00 H new ATOM 0 HA ILE A 47 4.701 8.696 3.717 1.00 0.00 H new ATOM 0 HB ILE A 47 6.608 7.793 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.004 10.081 6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.669 8.393 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.074 9.786 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.972 9.630 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.635 10.826 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.861 9.057 8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.087 7.839 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.427 9.553 6.658 1.00 0.00 H new ATOM 740 N ILE A 48 3.925 6.598 4.946 1.00 0.00 N ATOM 741 CA ILE A 48 3.159 5.490 5.578 1.00 0.00 C ATOM 742 C ILE A 48 3.910 4.170 5.408 1.00 0.00 C ATOM 743 O ILE A 48 4.482 3.887 4.370 1.00 0.00 O ATOM 744 CB ILE A 48 1.772 5.393 4.931 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.947 4.300 5.627 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.914 5.058 3.444 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.735 4.653 7.107 1.00 0.00 C ATOM 0 H ILE A 48 4.400 6.355 4.076 1.00 0.00 H new ATOM 0 HA ILE A 48 3.046 5.693 6.643 1.00 0.00 H new ATOM 0 HB ILE A 48 1.264 6.351 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.017 4.191 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.458 3.341 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.925 4.990 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.488 5.840 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.430 4.104 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.149 3.870 7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.702 4.739 7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.204 5.602 7.182 1.00 0.00 H new ATOM 759 N LYS A 49 3.902 3.359 6.434 1.00 0.00 N ATOM 760 CA LYS A 49 4.600 2.044 6.376 1.00 0.00 C ATOM 761 C LYS A 49 3.662 0.979 5.811 1.00 0.00 C ATOM 762 O LYS A 49 2.461 1.000 6.038 1.00 0.00 O ATOM 763 CB LYS A 49 5.042 1.640 7.778 1.00 0.00 C ATOM 764 CG LYS A 49 6.175 2.558 8.236 1.00 0.00 C ATOM 765 CD LYS A 49 6.696 2.096 9.602 1.00 0.00 C ATOM 766 CE LYS A 49 5.702 2.477 10.707 1.00 0.00 C ATOM 767 NZ LYS A 49 6.344 2.292 12.038 1.00 0.00 N ATOM 0 H LYS A 49 3.435 3.556 7.319 1.00 0.00 H new ATOM 0 HA LYS A 49 5.472 2.132 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.202 1.707 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.376 0.602 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.983 2.546 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.819 3.586 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.847 1.016 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.666 2.552 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.386 3.513 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.807 1.860 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.765 1.651 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.292 1.884 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.424 3.212 12.516 1.00 0.00 H new ATOM 781 N PHE A 50 4.206 0.041 5.078 1.00 0.00 N ATOM 782 CA PHE A 50 3.365 -1.037 4.486 1.00 0.00 C ATOM 783 C PHE A 50 4.070 -2.380 4.632 1.00 0.00 C ATOM 784 O PHE A 50 5.289 -2.461 4.705 1.00 0.00 O ATOM 785 CB PHE A 50 3.120 -0.746 3.002 1.00 0.00 C ATOM 786 CG PHE A 50 4.407 -0.891 2.215 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.332 0.159 2.175 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.658 -2.071 1.502 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.513 0.024 1.432 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.838 -2.207 0.762 1.00 0.00 C ATOM 791 CZ PHE A 50 6.763 -1.159 0.722 1.00 0.00 C ATOM 0 H PHE A 50 5.201 -0.023 4.865 1.00 0.00 H new ATOM 0 HA PHE A 50 2.410 -1.072 5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.368 -1.431 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.725 0.263 2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.136 1.073 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.939 -2.877 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.230 0.831 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.034 -3.121 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.670 -1.261 0.144 1.00 0.00 H new ATOM 801 N THR A 51 3.299 -3.436 4.680 1.00 0.00 N ATOM 802 CA THR A 51 3.876 -4.804 4.823 1.00 0.00 C ATOM 803 C THR A 51 3.276 -5.716 3.756 1.00 0.00 C ATOM 804 O THR A 51 2.073 -5.767 3.569 1.00 0.00 O ATOM 805 CB THR A 51 3.549 -5.347 6.214 1.00 0.00 C ATOM 806 OG1 THR A 51 4.054 -4.451 7.191 1.00 0.00 O ATOM 807 CG2 THR A 51 4.201 -6.717 6.394 1.00 0.00 C ATOM 0 H THR A 51 2.281 -3.407 4.625 1.00 0.00 H new ATOM 0 HA THR A 51 4.958 -4.765 4.698 1.00 0.00 H new ATOM 0 HB THR A 51 2.469 -5.445 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.846 -4.792 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.967 -7.104 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.820 -7.404 5.638 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.282 -6.623 6.287 1.00 0.00 H new ATOM 815 N ILE A 52 4.109 -6.438 3.052 1.00 0.00 N ATOM 816 CA ILE A 52 3.612 -7.355 1.983 1.00 0.00 C ATOM 817 C ILE A 52 3.654 -8.797 2.473 1.00 0.00 C ATOM 818 O ILE A 52 4.663 -9.280 2.956 1.00 0.00 O ATOM 819 CB ILE A 52 4.492 -7.217 0.740 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.307 -5.818 0.147 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.089 -8.274 -0.293 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.354 -5.570 -0.941 1.00 0.00 C ATOM 0 H ILE A 52 5.122 -6.431 3.173 1.00 0.00 H new ATOM 0 HA ILE A 52 2.584 -7.089 1.736 1.00 0.00 H new ATOM 0 HB ILE A 52 5.538 -7.363 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.305 -5.721 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.400 -5.066 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.717 -8.175 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.219 -9.268 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.045 -8.132 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.216 -4.573 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.352 -5.648 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.241 -6.313 -1.731 1.00 0.00 H new ATOM 834 N TRP A 53 2.559 -9.493 2.334 1.00 0.00 N ATOM 835 CA TRP A 53 2.511 -10.913 2.773 1.00 0.00 C ATOM 836 C TRP A 53 2.913 -11.816 1.606 1.00 0.00 C ATOM 837 O TRP A 53 2.399 -11.708 0.506 1.00 0.00 O ATOM 838 CB TRP A 53 1.094 -11.246 3.236 1.00 0.00 C ATOM 839 CG TRP A 53 0.795 -10.468 4.476 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.302 -9.208 4.503 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.964 -10.872 5.864 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.160 -8.813 5.821 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.551 -9.805 6.698 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.426 -12.050 6.477 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.604 -9.901 8.088 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.478 -12.151 7.877 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.065 -11.079 8.681 1.00 0.00 C ATOM 0 H TRP A 53 1.692 -9.136 1.933 1.00 0.00 H new ATOM 0 HA TRP A 53 3.203 -11.073 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.375 -11.001 2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.002 -12.315 3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.059 -8.609 3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.191 -7.900 6.110 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.743 -12.883 5.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.291 -9.070 8.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.838 -13.059 8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.103 -11.164 9.757 1.00 0.00 H new ATOM 858 N LYS A 54 3.832 -12.707 1.852 1.00 0.00 N ATOM 859 CA LYS A 54 4.300 -13.638 0.789 1.00 0.00 C ATOM 860 C LYS A 54 3.173 -14.598 0.403 1.00 0.00 C ATOM 861 O LYS A 54 3.234 -15.279 -0.605 1.00 0.00 O ATOM 862 CB LYS A 54 5.494 -14.428 1.324 1.00 0.00 C ATOM 863 CG LYS A 54 5.204 -14.903 2.753 1.00 0.00 C ATOM 864 CD LYS A 54 6.222 -15.980 3.155 1.00 0.00 C ATOM 865 CE LYS A 54 7.631 -15.380 3.212 1.00 0.00 C ATOM 866 NZ LYS A 54 7.604 -14.109 3.986 1.00 0.00 N ATOM 0 H LYS A 54 4.285 -12.831 2.758 1.00 0.00 H new ATOM 0 HA LYS A 54 4.594 -13.073 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.693 -15.284 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.389 -13.805 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.257 -14.062 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.192 -15.303 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.957 -16.397 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.197 -16.801 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.319 -16.086 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.999 -15.195 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.555 -13.687 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.935 -13.447 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.303 -14.303 4.962 1.00 0.00 H new ATOM 919 N LEU A 58 3.069 -11.689 -4.292 1.00 0.00 N ATOM 920 CA LEU A 58 3.110 -10.467 -5.154 1.00 0.00 C ATOM 921 C LEU A 58 4.575 -10.054 -5.383 1.00 0.00 C ATOM 922 O LEU A 58 5.413 -10.238 -4.523 1.00 0.00 O ATOM 923 CB LEU A 58 2.366 -9.324 -4.460 1.00 0.00 C ATOM 924 CG LEU A 58 0.939 -9.769 -4.123 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.282 -8.731 -3.210 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.111 -9.910 -5.411 1.00 0.00 C ATOM 0 HA LEU A 58 2.634 -10.682 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.892 -9.034 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.341 -8.447 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 58 0.979 -10.733 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.733 -9.048 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.860 -8.638 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.251 -7.767 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.901 -10.227 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.074 -8.950 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.573 -10.653 -6.061 1.00 0.00 H new ATOM 938 N PRO A 59 4.883 -9.509 -6.539 1.00 0.00 N ATOM 939 CA PRO A 59 6.270 -9.064 -6.885 1.00 0.00 C ATOM 940 C PRO A 59 6.728 -7.832 -6.091 1.00 0.00 C ATOM 941 O PRO A 59 5.933 -7.043 -5.612 1.00 0.00 O ATOM 942 CB PRO A 59 6.181 -8.760 -8.389 1.00 0.00 C ATOM 943 CG PRO A 59 4.751 -8.397 -8.618 1.00 0.00 C ATOM 944 CD PRO A 59 3.945 -9.251 -7.646 1.00 0.00 C ATOM 0 HA PRO A 59 7.011 -9.823 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.847 -7.943 -8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.471 -9.625 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.583 -7.335 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.457 -8.595 -9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.053 -8.729 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.611 -10.179 -8.111 1.00 0.00 H new ATOM 952 N LEU A 60 8.019 -7.679 -5.948 1.00 0.00 N ATOM 953 CA LEU A 60 8.576 -6.526 -5.181 1.00 0.00 C ATOM 954 C LEU A 60 8.401 -5.219 -5.961 1.00 0.00 C ATOM 955 O LEU A 60 8.542 -5.168 -7.171 1.00 0.00 O ATOM 956 CB LEU A 60 10.063 -6.770 -4.923 1.00 0.00 C ATOM 957 CG LEU A 60 10.250 -8.116 -4.212 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.745 -8.383 -4.012 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.546 -8.089 -2.845 1.00 0.00 C ATOM 0 H LEU A 60 8.719 -8.312 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 60 8.039 -6.439 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.611 -6.766 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.473 -5.965 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 60 9.815 -8.907 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.879 -9.339 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.242 -8.412 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.179 -7.588 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.683 -9.048 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.974 -7.296 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.481 -7.903 -2.988 1.00 0.00 H new ATOM 971 N LEU A 61 8.095 -4.161 -5.256 1.00 0.00 N ATOM 972 CA LEU A 61 7.898 -2.834 -5.906 1.00 0.00 C ATOM 973 C LEU A 61 9.255 -2.178 -6.184 1.00 0.00 C ATOM 974 O LEU A 61 10.195 -2.303 -5.419 1.00 0.00 O ATOM 975 CB LEU A 61 7.071 -1.939 -4.980 1.00 0.00 C ATOM 976 CG LEU A 61 5.591 -2.318 -5.080 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.396 -3.764 -4.612 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.766 -1.377 -4.198 1.00 0.00 C ATOM 0 H LEU A 61 7.972 -4.162 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 61 7.373 -2.969 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.415 -2.047 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.207 -0.893 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 61 5.262 -2.229 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.342 -4.031 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.983 -4.432 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.724 -3.859 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.712 -1.645 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.096 -1.466 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.902 -0.349 -4.535 1.00 0.00 H new ATOM 990 N GLU A 62 9.357 -1.483 -7.285 1.00 0.00 N ATOM 991 CA GLU A 62 10.641 -0.818 -7.646 1.00 0.00 C ATOM 992 C GLU A 62 10.774 0.533 -6.944 1.00 0.00 C ATOM 993 O GLU A 62 9.799 1.187 -6.613 1.00 0.00 O ATOM 994 CB GLU A 62 10.690 -0.604 -9.158 1.00 0.00 C ATOM 995 CG GLU A 62 10.718 -1.958 -9.871 1.00 0.00 C ATOM 996 CD GLU A 62 12.009 -2.698 -9.518 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.950 -2.040 -9.106 1.00 0.00 O ATOM 998 OE2 GLU A 62 12.035 -3.909 -9.664 1.00 0.00 O ATOM 0 H GLU A 62 8.600 -1.347 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 62 11.463 -1.458 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.822 -0.030 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.573 -0.024 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.854 -2.553 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.653 -1.814 -10.949 1.00 0.00 H new ATOM 1005 N GLN A 63 11.992 0.939 -6.720 1.00 0.00 N ATOM 1006 CA GLN A 63 12.261 2.231 -6.039 1.00 0.00 C ATOM 1007 C GLN A 63 12.175 3.396 -7.031 1.00 0.00 C ATOM 1008 O GLN A 63 12.676 3.330 -8.141 1.00 0.00 O ATOM 1009 CB GLN A 63 13.662 2.182 -5.431 1.00 0.00 C ATOM 1010 CG GLN A 63 13.934 3.462 -4.638 1.00 0.00 C ATOM 1011 CD GLN A 63 15.267 3.332 -3.893 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.779 2.241 -3.726 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.851 4.404 -3.435 1.00 0.00 N ATOM 0 H GLN A 63 12.827 0.418 -6.986 1.00 0.00 H new ATOM 0 HA GLN A 63 11.514 2.387 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.754 1.314 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.406 2.068 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.964 4.319 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.126 3.641 -3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.421 5.318 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.738 4.328 -2.936 1.00 0.00 H new ATOM 1022 N GLY A 64 11.546 4.465 -6.625 1.00 0.00 N ATOM 1023 CA GLY A 64 11.418 5.658 -7.510 1.00 0.00 C ATOM 1024 C GLY A 64 10.251 5.471 -8.482 1.00 0.00 C ATOM 1025 O GLY A 64 10.025 6.292 -9.353 1.00 0.00 O ATOM 0 H GLY A 64 11.111 4.564 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.259 6.552 -6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.343 5.809 -8.066 1.00 0.00 H new ATOM 1029 N GLU A 65 9.512 4.398 -8.346 1.00 0.00 N ATOM 1030 CA GLU A 65 8.358 4.143 -9.267 1.00 0.00 C ATOM 1031 C GLU A 65 7.029 4.289 -8.523 1.00 0.00 C ATOM 1032 O GLU A 65 6.916 3.995 -7.342 1.00 0.00 O ATOM 1033 CB GLU A 65 8.468 2.729 -9.844 1.00 0.00 C ATOM 1034 CG GLU A 65 9.699 2.630 -10.756 1.00 0.00 C ATOM 1035 CD GLU A 65 9.542 3.574 -11.954 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.418 3.942 -12.251 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.550 3.916 -12.549 1.00 0.00 O ATOM 0 H GLU A 65 9.658 3.683 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 65 8.388 4.876 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.544 2.002 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.567 2.486 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.598 2.887 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.822 1.605 -11.104 1.00 0.00 H new ATOM 1044 N SER A 66 6.023 4.754 -9.223 1.00 0.00 N ATOM 1045 CA SER A 66 4.682 4.940 -8.607 1.00 0.00 C ATOM 1046 C SER A 66 3.895 3.632 -8.652 1.00 0.00 C ATOM 1047 O SER A 66 4.092 2.798 -9.520 1.00 0.00 O ATOM 1048 CB SER A 66 3.915 6.014 -9.376 1.00 0.00 C ATOM 1049 OG SER A 66 3.968 5.720 -10.767 1.00 0.00 O ATOM 0 H SER A 66 6.080 5.015 -10.208 1.00 0.00 H new ATOM 0 HA SER A 66 4.809 5.245 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.879 6.050 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.347 6.996 -9.183 1.00 0.00 H new ATOM 0 HG SER A 66 4.210 4.779 -10.893 1.00 0.00 H new ATOM 1055 N TYR A 67 2.994 3.447 -7.723 1.00 0.00 N ATOM 1056 CA TYR A 67 2.179 2.201 -7.702 1.00 0.00 C ATOM 1057 C TYR A 67 0.766 2.501 -7.205 1.00 0.00 C ATOM 1058 O TYR A 67 0.552 3.343 -6.340 1.00 0.00 O ATOM 1059 CB TYR A 67 2.830 1.171 -6.780 1.00 0.00 C ATOM 1060 CG TYR A 67 4.096 0.662 -7.420 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.021 -0.267 -8.463 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.343 1.116 -6.974 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.193 -0.745 -9.060 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.516 0.637 -7.571 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.440 -0.293 -8.615 1.00 0.00 C ATOM 1066 OH TYR A 67 7.593 -0.768 -9.202 1.00 0.00 O ATOM 0 H TYR A 67 2.788 4.110 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 67 2.125 1.803 -8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.053 1.621 -5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.144 0.344 -6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.059 -0.615 -8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.400 1.835 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.135 -1.463 -9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.479 0.985 -7.226 1.00 0.00 H new ATOM 0 HH TYR A 67 7.414 -0.994 -10.139 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.196 1.799 -7.749 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.617 1.985 -7.343 1.00 0.00 C ATOM 1078 C LEU A 68 -2.063 0.773 -6.529 1.00 0.00 C ATOM 1079 O LEU A 68 -2.021 -0.356 -6.995 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.486 2.124 -8.600 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.976 2.107 -8.225 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.259 3.160 -7.149 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.813 2.419 -9.470 1.00 0.00 C ATOM 0 H LEU A 68 -0.051 1.093 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.721 2.885 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.245 3.053 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.269 1.310 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.237 1.122 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.318 3.140 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.664 2.943 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.997 4.148 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.871 2.408 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.544 3.404 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.620 1.667 -10.236 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.485 1.002 -5.312 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.934 -0.115 -4.434 1.00 0.00 C ATOM 1097 C LEU A 69 -4.457 -0.178 -4.424 1.00 0.00 C ATOM 1098 O LEU A 69 -5.131 0.828 -4.279 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.436 0.123 -3.010 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.917 0.313 -3.019 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.427 0.549 -1.587 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.237 -0.935 -3.602 1.00 0.00 C ATOM 0 H LEU A 69 -2.537 1.927 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.530 -1.054 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.920 1.004 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.703 -0.722 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.664 1.175 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.655 0.685 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.903 1.442 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.683 -0.311 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.844 -0.793 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.487 -1.804 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.585 -1.096 -4.622 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.002 -1.358 -4.584 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.486 -1.521 -4.593 1.00 0.00 C ATOM 1116 C ARG A 70 -6.901 -2.628 -3.621 1.00 0.00 C ATOM 1117 O ARG A 70 -6.236 -3.641 -3.483 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.947 -1.869 -6.009 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.698 -0.668 -6.922 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.037 -1.027 -8.370 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.490 -1.337 -8.484 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.366 -0.386 -8.694 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.981 0.858 -8.805 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.630 -0.684 -8.794 1.00 0.00 N ATOM 0 H ARG A 70 -4.476 -2.223 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.953 -0.588 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.406 -2.741 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.006 -2.128 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.305 0.177 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.656 -0.358 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.779 -0.199 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.446 -1.885 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.807 -2.303 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.992 1.094 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.670 1.592 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.934 -1.654 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.316 0.053 -8.957 1.00 0.00 H new ATOM 1138 N SER A 71 -8.005 -2.414 -2.948 1.00 0.00 N ATOM 1139 CA SER A 71 -8.529 -3.406 -1.963 1.00 0.00 C ATOM 1140 C SER A 71 -7.447 -3.767 -0.942 1.00 0.00 C ATOM 1141 O SER A 71 -7.056 -4.912 -0.810 1.00 0.00 O ATOM 1142 CB SER A 71 -9.021 -4.663 -2.690 1.00 0.00 C ATOM 1143 OG SER A 71 -8.127 -4.993 -3.741 1.00 0.00 O ATOM 0 H SER A 71 -8.576 -1.574 -3.044 1.00 0.00 H new ATOM 0 HA SER A 71 -9.369 -2.960 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.094 -5.494 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.021 -4.494 -3.090 1.00 0.00 H new ATOM 0 HG SER A 71 -7.205 -4.835 -3.448 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.979 -2.787 -0.201 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.934 -3.045 0.841 1.00 0.00 C ATOM 1151 C VAL A 72 -6.527 -2.780 2.220 1.00 0.00 C ATOM 1152 O VAL A 72 -7.178 -1.776 2.449 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.720 -2.136 0.615 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.875 -2.686 -0.535 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.189 -0.719 0.264 1.00 0.00 C ATOM 0 H VAL A 72 -7.279 -1.815 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.608 -4.083 0.773 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.124 -2.105 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.012 -2.039 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.534 -3.691 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.476 -2.720 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.322 -0.078 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.790 -0.749 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.789 -0.321 1.082 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.307 -3.689 3.140 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.859 -3.529 4.515 1.00 0.00 C ATOM 1167 C VAL A 73 -5.808 -2.903 5.430 1.00 0.00 C ATOM 1168 O VAL A 73 -4.647 -3.275 5.417 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.268 -4.900 5.065 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.027 -5.768 5.316 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.026 -4.711 6.380 1.00 0.00 C ATOM 0 H VAL A 73 -5.764 -4.540 2.992 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.731 -2.877 4.476 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.906 -5.398 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.334 -6.738 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.486 -5.908 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.378 -5.275 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.319 -5.684 6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.383 -4.206 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.917 -4.108 6.203 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.215 -1.944 6.224 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.260 -1.264 7.149 1.00 0.00 C ATOM 1183 C VAL A 74 -5.287 -1.951 8.513 1.00 0.00 C ATOM 1184 O VAL A 74 -6.323 -2.099 9.136 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.649 0.216 7.289 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.023 1.021 6.149 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -7.173 0.353 7.223 1.00 0.00 C ATOM 0 H VAL A 74 -7.175 -1.602 6.270 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.250 -1.328 6.744 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.287 0.594 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.300 2.070 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.938 0.926 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.385 0.641 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.449 1.403 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.531 -0.027 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.625 -0.219 8.033 1.00 0.00 H new ATOM 1197 N GLY A 75 -4.138 -2.372 8.973 1.00 0.00 N ATOM 1198 CA GLY A 75 -4.048 -3.065 10.292 1.00 0.00 C ATOM 1199 C GLY A 75 -3.568 -2.096 11.374 1.00 0.00 C ATOM 1200 O GLY A 75 -2.727 -1.244 11.145 1.00 0.00 O ATOM 0 H GLY A 75 -3.249 -2.264 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.023 -3.470 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.361 -3.909 10.220 1.00 0.00 H new ATOM 1204 N GLU A 76 -4.107 -2.237 12.556 1.00 0.00 N ATOM 1205 CA GLU A 76 -3.716 -1.350 13.688 1.00 0.00 C ATOM 1206 C GLU A 76 -2.220 -1.473 13.957 1.00 0.00 C ATOM 1207 O GLU A 76 -1.655 -2.552 13.939 1.00 0.00 O ATOM 1208 CB GLU A 76 -4.492 -1.767 14.942 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.129 -3.207 15.328 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.031 -3.675 16.474 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.406 -2.843 17.284 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.331 -4.858 16.522 1.00 0.00 O ATOM 0 H GLU A 76 -4.811 -2.939 12.787 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.948 -0.316 13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.260 -1.091 15.765 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.564 -1.690 14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.246 -3.865 14.467 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.083 -3.261 15.630 1.00 0.00 H new ATOM 1219 N TYR A 77 -1.575 -0.368 14.217 1.00 0.00 N ATOM 1220 CA TYR A 77 -0.114 -0.395 14.504 1.00 0.00 C ATOM 1221 C TYR A 77 0.171 0.534 15.683 1.00 0.00 C ATOM 1222 O TYR A 77 0.585 1.666 15.505 1.00 0.00 O ATOM 1223 CB TYR A 77 0.652 0.066 13.267 1.00 0.00 C ATOM 1224 CG TYR A 77 2.134 -0.057 13.518 1.00 0.00 C ATOM 1225 CD1 TYR A 77 2.737 -1.320 13.509 1.00 0.00 C ATOM 1226 CD2 TYR A 77 2.905 1.086 13.757 1.00 0.00 C ATOM 1227 CE1 TYR A 77 4.111 -1.441 13.740 1.00 0.00 C ATOM 1228 CE2 TYR A 77 4.281 0.965 13.988 1.00 0.00 C ATOM 1229 CZ TYR A 77 4.884 -0.299 13.980 1.00 0.00 C ATOM 1230 OH TYR A 77 6.239 -0.418 14.208 1.00 0.00 O ATOM 0 H TYR A 77 -2.002 0.558 14.243 1.00 0.00 H new ATOM 0 HA TYR A 77 0.205 -1.406 14.756 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.367 -0.537 12.404 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.397 1.099 13.032 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.141 -2.201 13.324 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.439 2.060 13.763 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.576 -2.416 13.733 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.877 1.846 14.172 1.00 0.00 H new ATOM 0 HH TYR A 77 6.625 0.471 14.356 1.00 0.00 H new ATOM 1240 N ASN A 78 -0.060 0.031 16.881 1.00 0.00 N ATOM 1241 CA ASN A 78 0.163 0.808 18.156 1.00 0.00 C ATOM 1242 C ASN A 78 0.317 2.313 17.897 1.00 0.00 C ATOM 1243 O ASN A 78 -0.603 3.088 18.078 1.00 0.00 O ATOM 1244 CB ASN A 78 1.433 0.282 18.831 1.00 0.00 C ATOM 1245 CG ASN A 78 1.688 1.046 20.133 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.493 1.958 20.168 1.00 0.00 O ATOM 1247 ND2 ASN A 78 1.037 0.708 21.212 1.00 0.00 N ATOM 0 H ASN A 78 -0.405 -0.917 17.032 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.710 0.671 18.795 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.330 -0.783 19.039 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.285 0.395 18.160 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.203 1.208 22.085 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.362 -0.056 21.182 1.00 0.00 H new ATOM 1254 N ASP A 79 1.483 2.726 17.480 1.00 0.00 N ATOM 1255 CA ASP A 79 1.718 4.174 17.210 1.00 0.00 C ATOM 1256 C ASP A 79 0.577 4.737 16.362 1.00 0.00 C ATOM 1257 O ASP A 79 -0.215 5.538 16.824 1.00 0.00 O ATOM 1258 CB ASP A 79 3.029 4.340 16.437 1.00 0.00 C ATOM 1259 CG ASP A 79 3.367 5.829 16.309 1.00 0.00 C ATOM 1260 OD1 ASP A 79 2.768 6.615 17.025 1.00 0.00 O ATOM 1261 OD2 ASP A 79 4.220 6.153 15.500 1.00 0.00 O ATOM 0 H ASP A 79 2.287 2.120 17.314 1.00 0.00 H new ATOM 0 HA ASP A 79 1.769 4.708 18.159 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.835 3.817 16.952 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.939 3.891 15.448 1.00 0.00 H new ATOM 1266 N ARG A 80 0.504 4.340 15.117 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.569 4.864 14.215 1.00 0.00 C ATOM 1268 C ARG A 80 -1.213 3.710 13.442 1.00 0.00 C ATOM 1269 O ARG A 80 -1.619 2.717 14.016 1.00 0.00 O ATOM 1270 CB ARG A 80 0.047 5.859 13.230 1.00 0.00 C ATOM 1271 CG ARG A 80 0.637 7.040 13.999 1.00 0.00 C ATOM 1272 CD ARG A 80 1.255 8.038 13.013 1.00 0.00 C ATOM 1273 NE ARG A 80 2.479 7.445 12.402 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.130 8.085 11.464 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.722 9.258 11.061 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.195 7.552 10.934 1.00 0.00 N ATOM 0 H ARG A 80 1.143 3.673 14.684 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.334 5.360 14.812 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.823 5.371 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.711 6.210 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.140 7.528 14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.395 6.689 14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.534 8.290 12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.506 8.965 13.528 1.00 0.00 H new ATOM 0 HE ARG A 80 2.812 6.534 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.892 9.680 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.233 9.752 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.519 6.638 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.704 8.049 10.203 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.331 3.849 12.143 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.970 2.788 11.311 1.00 0.00 C ATOM 1292 C PHE A 81 -1.068 2.435 10.129 1.00 0.00 C ATOM 1293 O PHE A 81 -0.262 3.234 9.687 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.307 3.310 10.789 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.192 3.682 11.956 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.994 2.709 12.561 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.209 5.000 12.433 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.815 3.052 13.643 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.031 5.342 13.514 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.833 4.367 14.120 1.00 0.00 C ATOM 0 H PHE A 81 -1.007 4.663 11.621 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.125 1.895 11.917 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.146 4.178 10.149 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.793 2.549 10.178 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.980 1.693 12.194 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.589 5.751 11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.435 2.300 14.109 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.046 6.358 13.880 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.465 4.630 14.955 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.199 1.236 9.621 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.356 0.796 8.467 1.00 0.00 C ATOM 1312 C GLN A 82 -1.233 0.137 7.404 1.00 0.00 C ATOM 1313 O GLN A 82 -2.350 -0.276 7.670 1.00 0.00 O ATOM 1314 CB GLN A 82 0.683 -0.210 8.960 1.00 0.00 C ATOM 1315 CG GLN A 82 1.660 0.493 9.899 1.00 0.00 C ATOM 1316 CD GLN A 82 2.720 -0.500 10.381 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.600 -0.115 11.267 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 2.750 -1.635 9.949 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.860 0.536 9.959 1.00 0.00 H new ATOM 0 HA GLN A 82 0.143 1.663 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.191 -1.033 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.219 -0.640 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.137 1.327 9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.124 0.909 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.063 -1.936 9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.462 -2.287 10.278 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.726 0.028 6.197 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.514 -0.609 5.096 1.00 0.00 C ATOM 1329 C VAL A 83 -0.977 -2.017 4.842 1.00 0.00 C ATOM 1330 O VAL A 83 0.213 -2.225 4.657 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.402 0.233 3.820 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.821 1.673 4.121 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.037 0.213 3.300 1.00 0.00 C ATOM 0 H VAL A 83 0.202 0.354 5.928 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.563 -0.668 5.386 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.058 -0.186 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.742 2.272 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.852 1.686 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.169 2.089 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.105 0.814 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.704 0.624 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.329 -0.813 3.077 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.853 -2.990 4.847 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.425 -4.404 4.626 1.00 0.00 C ATOM 1345 C GLN A 84 -1.843 -4.858 3.232 1.00 0.00 C ATOM 1346 O GLN A 84 -2.997 -4.763 2.852 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.089 -5.301 5.672 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.515 -4.975 7.049 1.00 0.00 C ATOM 1349 CD GLN A 84 -2.173 -5.860 8.108 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.924 -6.761 7.788 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.925 -5.635 9.370 1.00 0.00 N ATOM 0 H GLN A 84 -2.854 -2.864 4.996 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.341 -4.472 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.168 -5.147 5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.916 -6.350 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.436 -5.132 7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.684 -3.924 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.295 -4.879 9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.361 -6.215 10.087 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.907 -5.355 2.467 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.223 -5.829 1.088 1.00 0.00 C ATOM 1362 C VAL A 85 -1.245 -7.357 1.075 1.00 0.00 C ATOM 1363 O VAL A 85 -0.263 -8.014 1.388 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.160 -5.321 0.116 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.525 -5.765 -1.301 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.100 -3.792 0.179 1.00 0.00 C ATOM 0 H VAL A 85 0.071 -5.453 2.741 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.198 -5.448 0.783 1.00 0.00 H new ATOM 0 HB VAL A 85 0.814 -5.729 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.230 -5.406 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.568 -6.853 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.497 -5.353 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.658 -3.429 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.070 -3.378 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.155 -3.479 1.192 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.368 -7.925 0.720 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.491 -9.409 0.690 1.00 0.00 C ATOM 1378 C ASN A 86 -3.456 -9.832 -0.416 1.00 0.00 C ATOM 1379 O ASN A 86 -3.942 -9.017 -1.180 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.013 -9.916 2.038 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.249 -9.115 2.455 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.124 -7.851 2.760 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -5.343 -9.643 2.501 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.211 -7.419 0.448 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.508 -9.838 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.263 -10.975 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.236 -9.823 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.443 -10.630 2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.161 -9.099 2.777 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.721 -11.113 -0.502 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.640 -11.650 -1.550 1.00 0.00 C ATOM 1392 C LYS A 87 -5.812 -10.701 -1.789 1.00 0.00 C ATOM 1393 O LYS A 87 -6.159 -9.893 -0.947 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.174 -13.017 -1.108 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.920 -13.680 -2.274 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.329 -15.104 -1.888 1.00 0.00 C ATOM 1397 CE LYS A 87 -7.065 -15.757 -3.061 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.431 -17.157 -2.701 1.00 0.00 N ATOM 0 H LYS A 87 -3.331 -11.820 0.122 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.081 -11.750 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.350 -13.652 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.843 -12.899 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.803 -13.096 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.284 -13.702 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.447 -15.689 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.971 -15.084 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.961 -15.187 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.433 -15.752 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.931 -17.601 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.568 -17.698 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.049 -17.150 -1.865 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.414 -10.801 -2.948 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.566 -9.921 -3.292 1.00 0.00 C ATOM 1414 C ASN A 88 -7.031 -8.537 -3.682 1.00 0.00 C ATOM 1415 O ASN A 88 -7.630 -7.820 -4.462 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.511 -9.805 -2.076 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.954 -9.599 -2.543 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.181 -9.198 -3.763 1.00 0.00 O flip ATOM 1419 ND2 ASN A 88 -10.884 -9.804 -1.787 1.00 0.00 N flip ATOM 0 H ASN A 88 -6.151 -11.464 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.124 -10.344 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.444 -10.707 -1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.203 -8.971 -1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.706 -10.118 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.842 -9.662 -2.107 1.00 0.00 H new ATOM 1426 N SER A 89 -5.908 -8.167 -3.134 1.00 0.00 N ATOM 1427 CA SER A 89 -5.313 -6.837 -3.446 1.00 0.00 C ATOM 1428 C SER A 89 -4.671 -6.851 -4.831 1.00 0.00 C ATOM 1429 O SER A 89 -4.229 -7.877 -5.319 1.00 0.00 O ATOM 1430 CB SER A 89 -4.256 -6.501 -2.400 1.00 0.00 C ATOM 1431 OG SER A 89 -3.877 -5.138 -2.535 1.00 0.00 O ATOM 0 H SER A 89 -5.372 -8.734 -2.477 1.00 0.00 H new ATOM 0 HA SER A 89 -6.102 -6.085 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.647 -6.684 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.386 -7.146 -2.525 1.00 0.00 H new ATOM 0 HG SER A 89 -4.639 -4.618 -2.867 1.00 0.00 H new ATOM 1437 N SER A 90 -4.616 -5.709 -5.470 1.00 0.00 N ATOM 1438 CA SER A 90 -4.007 -5.623 -6.831 1.00 0.00 C ATOM 1439 C SER A 90 -3.039 -4.440 -6.889 1.00 0.00 C ATOM 1440 O SER A 90 -3.287 -3.387 -6.325 1.00 0.00 O ATOM 1441 CB SER A 90 -5.108 -5.426 -7.867 1.00 0.00 C ATOM 1442 OG SER A 90 -4.537 -5.448 -9.168 1.00 0.00 O ATOM 0 H SER A 90 -4.970 -4.826 -5.103 1.00 0.00 H new ATOM 0 HA SER A 90 -3.465 -6.545 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.857 -6.212 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.618 -4.478 -7.697 1.00 0.00 H new ATOM 0 HG SER A 90 -5.242 -5.323 -9.837 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.935 -4.616 -7.573 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.918 -3.529 -7.695 1.00 0.00 C ATOM 1450 C ILE A 91 -0.656 -3.239 -9.170 1.00 0.00 C ATOM 1451 O ILE A 91 -0.421 -4.138 -9.960 1.00 0.00 O ATOM 1452 CB ILE A 91 0.387 -3.973 -7.033 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.159 -4.152 -5.530 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.469 -2.913 -7.264 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.365 -4.859 -4.901 1.00 0.00 C ATOM 0 H ILE A 91 -1.694 -5.480 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.292 -2.630 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 91 0.711 -4.918 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.008 -3.181 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.746 -4.734 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.398 -3.232 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.632 -2.786 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.148 -1.965 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.197 -4.983 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.496 -5.837 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.262 -4.260 -5.060 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.692 -1.985 -9.546 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.443 -1.605 -10.972 1.00 0.00 C ATOM 1469 C GLU A 92 0.654 -0.539 -11.033 1.00 0.00 C ATOM 1470 O GLU A 92 0.641 0.433 -10.300 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.733 -1.062 -11.591 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.479 -0.716 -13.061 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.780 -0.249 -13.715 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.828 -0.470 -13.129 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.705 0.317 -14.792 1.00 0.00 O ATOM 0 H GLU A 92 -0.885 -1.202 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.121 -2.483 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.529 -1.803 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.066 -0.177 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.723 0.066 -13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.089 -1.587 -13.587 1.00 0.00 H new ATOM 1482 N LYS A 93 1.606 -0.730 -11.908 1.00 0.00 N ATOM 1483 CA LYS A 93 2.727 0.244 -12.040 1.00 0.00 C ATOM 1484 C LYS A 93 2.290 1.435 -12.895 1.00 0.00 C ATOM 1485 O LYS A 93 1.792 1.282 -13.997 1.00 0.00 O ATOM 1486 CB LYS A 93 3.919 -0.453 -12.696 1.00 0.00 C ATOM 1487 CG LYS A 93 5.103 0.516 -12.781 1.00 0.00 C ATOM 1488 CD LYS A 93 6.313 -0.202 -13.385 1.00 0.00 C ATOM 1489 CE LYS A 93 7.497 0.763 -13.454 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.679 0.062 -14.033 1.00 0.00 N ATOM 0 H LYS A 93 1.654 -1.527 -12.542 1.00 0.00 H new ATOM 0 HA LYS A 93 3.010 0.607 -11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.199 -1.335 -12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.647 -0.798 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.837 1.378 -13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.349 0.893 -11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.573 -1.071 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.071 -0.569 -14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.239 1.628 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.734 1.136 -12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.484 0.719 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.929 -0.750 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.449 -0.273 -14.991 1.00 0.00 H new ATOM 1504 N LEU A 94 2.473 2.624 -12.384 1.00 0.00 N ATOM 1505 CA LEU A 94 2.074 3.855 -13.132 1.00 0.00 C ATOM 1506 C LEU A 94 3.311 4.534 -13.725 1.00 0.00 C ATOM 1507 O LEU A 94 4.303 4.754 -13.054 1.00 0.00 O ATOM 1508 CB LEU A 94 1.364 4.813 -12.165 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.116 4.432 -12.055 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.247 2.978 -11.583 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.805 5.364 -11.058 1.00 0.00 C ATOM 0 H LEU A 94 2.887 2.798 -11.468 1.00 0.00 H new ATOM 0 HA LEU A 94 1.402 3.587 -13.947 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.835 4.769 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.460 5.840 -12.519 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.589 4.530 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.302 2.714 -11.507 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.242 2.318 -12.299 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.226 2.868 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.858 5.096 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.330 5.267 -10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.718 6.394 -11.403 1.00 0.00 H new ATOM 1523 N SER A 95 3.239 4.878 -14.980 1.00 0.00 N ATOM 1524 CA SER A 95 4.381 5.558 -15.646 1.00 0.00 C ATOM 1525 C SER A 95 4.397 7.026 -15.229 1.00 0.00 C ATOM 1526 O SER A 95 5.304 7.766 -15.563 1.00 0.00 O ATOM 1527 CB SER A 95 4.203 5.471 -17.160 1.00 0.00 C ATOM 1528 OG SER A 95 5.386 5.928 -17.801 1.00 0.00 O ATOM 0 H SER A 95 2.429 4.715 -15.578 1.00 0.00 H new ATOM 0 HA SER A 95 5.316 5.079 -15.357 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.991 4.443 -17.454 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.351 6.074 -17.472 1.00 0.00 H new ATOM 0 HG SER A 95 5.771 6.669 -17.288 1.00 0.00 H new ATOM 1534 N GLU A 96 3.394 7.459 -14.501 1.00 0.00 N ATOM 1535 CA GLU A 96 3.347 8.889 -14.064 1.00 0.00 C ATOM 1536 C GLU A 96 3.776 8.992 -12.586 1.00 0.00 C ATOM 1537 O GLU A 96 3.065 8.552 -11.706 1.00 0.00 O ATOM 1538 CB GLU A 96 1.925 9.426 -14.224 1.00 0.00 C ATOM 1539 CG GLU A 96 1.545 9.375 -15.706 1.00 0.00 C ATOM 1540 CD GLU A 96 0.310 10.237 -15.953 1.00 0.00 C ATOM 1541 OE1 GLU A 96 0.452 11.446 -15.973 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.756 9.670 -16.123 1.00 0.00 O ATOM 0 H GLU A 96 2.609 6.885 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 96 4.027 9.478 -14.679 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.228 8.831 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.863 10.449 -13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.375 9.730 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.347 8.346 -16.005 1.00 0.00 H new ATOM 1549 N PRO A 97 4.930 9.562 -12.314 1.00 0.00 N ATOM 1550 CA PRO A 97 5.457 9.697 -10.925 1.00 0.00 C ATOM 1551 C PRO A 97 4.751 10.808 -10.133 1.00 0.00 C ATOM 1552 O PRO A 97 4.258 11.774 -10.684 1.00 0.00 O ATOM 1553 CB PRO A 97 6.946 10.009 -11.130 1.00 0.00 C ATOM 1554 CG PRO A 97 7.023 10.683 -12.462 1.00 0.00 C ATOM 1555 CD PRO A 97 5.867 10.132 -13.299 1.00 0.00 C ATOM 0 HA PRO A 97 5.288 8.797 -10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.326 10.655 -10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.545 9.099 -11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.942 11.765 -12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.980 10.482 -12.943 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.394 10.919 -13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.213 9.374 -14.001 1.00 0.00 H new ATOM 1563 N ILE A 98 4.702 10.660 -8.837 1.00 0.00 N ATOM 1564 CA ILE A 98 4.032 11.677 -7.983 1.00 0.00 C ATOM 1565 C ILE A 98 4.983 12.839 -7.695 1.00 0.00 C ATOM 1566 O ILE A 98 6.157 12.659 -7.421 1.00 0.00 O ATOM 1567 CB ILE A 98 3.586 11.028 -6.673 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.738 9.792 -6.993 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.747 12.023 -5.865 1.00 0.00 C ATOM 1570 CD1 ILE A 98 2.375 9.062 -5.699 1.00 0.00 C ATOM 0 H ILE A 98 5.102 9.870 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 98 3.160 12.066 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 98 4.461 10.739 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.831 10.089 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.288 9.124 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.430 11.558 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.344 12.908 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.869 12.312 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.772 8.184 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.287 8.751 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.807 9.730 -5.051 1.00 0.00 H new