USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 27 TYR OH : rot 157:sc= 1.23 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.079 X(o=1.4,f=1.1) USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.226 K(o=1.4,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0903 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.0758 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0768 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.17) USER MOD Single : A 29 ASN : amide:sc= -0.0895 X(o=-0.09,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.1! C(o=-1.1!,f=-3.1!) USER MOD Single : A 38 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.9!) USER MOD Single : A 40 GLN : amide:sc= -3.22! C(o=-3.2!,f=-7.9!) USER MOD Single : A 42 MET CE :methyl -147:sc= -2 (180deg=-3.71!) USER MOD Single : A 44 SER OG : rot 92:sc= -0.386 USER MOD Single : A 45 ASN : amide:sc= -0.0929 X(o=-0.093,f=-0.33) USER MOD Single : A 47 MET CE :methyl -178:sc= -2.06 (180deg=-2.14) USER MOD Single : A 50 GLN : amide:sc= -0.658 K(o=-0.66,f=-0.035) USER MOD Single : A 60 SER OG : rot 180:sc= 0.03 USER MOD Single : A 64 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.8) USER MOD Single : A 68 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.1) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.904 16.276 -44.290 1.00 0.00 N ATOM 2 CA GLY A 1 12.483 14.915 -44.015 1.00 0.00 C ATOM 3 C GLY A 1 13.478 14.163 -43.154 1.00 0.00 C ATOM 4 O GLY A 1 14.537 14.691 -42.813 1.00 0.00 O ATOM 0 H1 GLY A 1 12.211 16.941 -43.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.835 16.445 -43.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.968 16.419 -45.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.514 14.932 -43.515 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.347 14.383 -44.956 1.00 0.00 H new ATOM 8 N SER A 2 13.138 12.928 -42.799 1.00 0.00 N ATOM 9 CA SER A 2 14.008 12.105 -41.968 1.00 0.00 C ATOM 10 C SER A 2 13.414 10.713 -41.773 1.00 0.00 C ATOM 11 O SER A 2 12.260 10.569 -41.368 1.00 0.00 O ATOM 12 CB SER A 2 14.230 12.771 -40.609 1.00 0.00 C ATOM 13 OG SER A 2 12.996 13.106 -39.997 1.00 0.00 O ATOM 0 H SER A 2 12.266 12.476 -43.074 1.00 0.00 H new ATOM 0 HA SER A 2 14.967 12.005 -42.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.791 12.100 -39.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.833 13.670 -40.735 1.00 0.00 H new ATOM 0 HG SER A 2 12.307 12.469 -40.279 1.00 0.00 H new ATOM 19 N SER A 3 14.211 9.690 -42.065 1.00 0.00 N ATOM 20 CA SER A 3 13.765 8.309 -41.926 1.00 0.00 C ATOM 21 C SER A 3 14.951 7.373 -41.718 1.00 0.00 C ATOM 22 O SER A 3 16.106 7.790 -41.793 1.00 0.00 O ATOM 23 CB SER A 3 12.973 7.880 -43.163 1.00 0.00 C ATOM 24 OG SER A 3 13.552 8.404 -44.346 1.00 0.00 O ATOM 0 H SER A 3 15.169 9.792 -42.399 1.00 0.00 H new ATOM 0 HA SER A 3 13.119 8.248 -41.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.943 6.792 -43.220 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.942 8.223 -43.076 1.00 0.00 H new ATOM 0 HG SER A 3 13.029 8.114 -45.122 1.00 0.00 H new ATOM 30 N GLY A 4 14.656 6.103 -41.454 1.00 0.00 N ATOM 31 CA GLY A 4 15.708 5.127 -41.239 1.00 0.00 C ATOM 32 C GLY A 4 15.194 3.853 -40.596 1.00 0.00 C ATOM 33 O GLY A 4 14.220 3.264 -41.064 1.00 0.00 O ATOM 0 H GLY A 4 13.708 5.733 -41.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.176 4.886 -42.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.481 5.564 -40.606 1.00 0.00 H new ATOM 37 N SER A 5 15.851 3.427 -39.522 1.00 0.00 N ATOM 38 CA SER A 5 15.458 2.212 -38.818 1.00 0.00 C ATOM 39 C SER A 5 14.438 2.523 -37.727 1.00 0.00 C ATOM 40 O SER A 5 14.578 3.499 -36.991 1.00 0.00 O ATOM 41 CB SER A 5 16.685 1.533 -38.206 1.00 0.00 C ATOM 42 OG SER A 5 16.635 0.129 -38.391 1.00 0.00 O ATOM 0 H SER A 5 16.658 3.905 -39.120 1.00 0.00 H new ATOM 0 HA SER A 5 14.999 1.536 -39.539 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.591 1.931 -38.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.738 1.761 -37.141 1.00 0.00 H new ATOM 0 HG SER A 5 17.431 -0.282 -37.993 1.00 0.00 H new ATOM 48 N SER A 6 13.411 1.684 -37.630 1.00 0.00 N ATOM 49 CA SER A 6 12.365 1.870 -36.632 1.00 0.00 C ATOM 50 C SER A 6 12.581 0.945 -35.438 1.00 0.00 C ATOM 51 O SER A 6 12.718 -0.268 -35.595 1.00 0.00 O ATOM 52 CB SER A 6 10.989 1.610 -37.250 1.00 0.00 C ATOM 53 OG SER A 6 11.059 1.606 -38.665 1.00 0.00 O ATOM 0 H SER A 6 13.282 0.870 -38.230 1.00 0.00 H new ATOM 0 HA SER A 6 12.410 2.902 -36.283 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.604 0.653 -36.899 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.288 2.376 -36.919 1.00 0.00 H new ATOM 0 HG SER A 6 10.168 1.436 -39.036 1.00 0.00 H new ATOM 59 N GLY A 7 12.612 1.527 -34.243 1.00 0.00 N ATOM 60 CA GLY A 7 12.812 0.741 -33.040 1.00 0.00 C ATOM 61 C GLY A 7 11.507 0.258 -32.439 1.00 0.00 C ATOM 62 O GLY A 7 10.424 0.713 -32.806 1.00 0.00 O ATOM 0 H GLY A 7 12.502 2.529 -34.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.442 -0.118 -33.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.348 1.340 -32.304 1.00 0.00 H new ATOM 66 N PRO A 8 11.601 -0.688 -31.493 1.00 0.00 N ATOM 67 CA PRO A 8 10.428 -1.255 -30.821 1.00 0.00 C ATOM 68 C PRO A 8 9.753 -0.254 -29.891 1.00 0.00 C ATOM 69 O PRO A 8 8.526 -0.214 -29.791 1.00 0.00 O ATOM 70 CB PRO A 8 11.009 -2.423 -30.019 1.00 0.00 C ATOM 71 CG PRO A 8 12.434 -2.054 -29.791 1.00 0.00 C ATOM 72 CD PRO A 8 12.860 -1.277 -31.006 1.00 0.00 C ATOM 0 HA PRO A 8 9.655 -1.550 -31.530 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.479 -2.558 -29.076 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.926 -3.361 -30.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.542 -1.455 -28.887 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.051 -2.943 -29.660 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.592 -0.509 -30.756 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.318 -1.922 -31.755 1.00 0.00 H new ATOM 80 N ARG A 9 10.560 0.554 -29.212 1.00 0.00 N ATOM 81 CA ARG A 9 10.040 1.556 -28.289 1.00 0.00 C ATOM 82 C ARG A 9 9.221 0.900 -27.180 1.00 0.00 C ATOM 83 O ARG A 9 9.049 -0.319 -27.161 1.00 0.00 O ATOM 84 CB ARG A 9 9.179 2.573 -29.039 1.00 0.00 C ATOM 85 CG ARG A 9 9.959 3.774 -29.548 1.00 0.00 C ATOM 86 CD ARG A 9 9.110 4.645 -30.461 1.00 0.00 C ATOM 87 NE ARG A 9 9.328 6.068 -30.217 1.00 0.00 N ATOM 88 CZ ARG A 9 10.423 6.719 -30.592 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.396 6.077 -31.225 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.548 8.015 -30.335 1.00 0.00 N ATOM 0 H ARG A 9 11.577 0.535 -29.284 1.00 0.00 H new ATOM 0 HA ARG A 9 10.887 2.071 -27.836 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.699 2.078 -29.883 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.384 2.920 -28.379 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.310 4.366 -28.703 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.843 3.433 -30.087 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.343 4.416 -31.501 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.057 4.409 -30.311 1.00 0.00 H new ATOM 0 HE ARG A 9 8.599 6.591 -29.732 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.304 5.081 -31.425 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.236 6.579 -31.512 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.802 8.513 -29.849 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.390 8.513 -30.624 1.00 0.00 H new ATOM 104 N CYS A 10 8.721 1.717 -26.260 1.00 0.00 N ATOM 105 CA CYS A 10 7.921 1.216 -25.147 1.00 0.00 C ATOM 106 C CYS A 10 6.436 1.233 -25.494 1.00 0.00 C ATOM 107 O CYS A 10 5.994 1.930 -26.407 1.00 0.00 O ATOM 108 CB CYS A 10 8.174 2.054 -23.893 1.00 0.00 C ATOM 109 SG CYS A 10 9.359 1.320 -22.742 1.00 0.00 S ATOM 0 H CYS A 10 8.855 2.728 -26.262 1.00 0.00 H new ATOM 0 HA CYS A 10 8.218 0.185 -24.953 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.536 3.037 -24.193 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.228 2.208 -23.375 1.00 0.00 H new ATOM 0 HG CYS A 10 9.508 2.103 -21.715 1.00 0.00 H new ATOM 115 N PRO A 11 5.646 0.446 -24.749 1.00 0.00 N ATOM 116 CA PRO A 11 4.198 0.352 -24.960 1.00 0.00 C ATOM 117 C PRO A 11 3.469 1.630 -24.558 1.00 0.00 C ATOM 118 O PRO A 11 3.427 1.988 -23.381 1.00 0.00 O ATOM 119 CB PRO A 11 3.782 -0.809 -24.052 1.00 0.00 C ATOM 120 CG PRO A 11 4.823 -0.848 -22.987 1.00 0.00 C ATOM 121 CD PRO A 11 6.104 -0.412 -23.644 1.00 0.00 C ATOM 0 HA PRO A 11 3.948 0.201 -26.010 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.790 -0.646 -23.630 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.744 -1.749 -24.603 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.562 -0.185 -22.162 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.919 -1.851 -22.572 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.745 0.133 -22.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.679 -1.263 -24.008 1.00 0.00 H new ATOM 129 N VAL A 12 2.896 2.313 -25.544 1.00 0.00 N ATOM 130 CA VAL A 12 2.167 3.551 -25.293 1.00 0.00 C ATOM 131 C VAL A 12 0.930 3.650 -26.179 1.00 0.00 C ATOM 132 O VAL A 12 0.969 3.295 -27.356 1.00 0.00 O ATOM 133 CB VAL A 12 3.057 4.785 -25.534 1.00 0.00 C ATOM 134 CG1 VAL A 12 3.483 4.861 -26.992 1.00 0.00 C ATOM 135 CG2 VAL A 12 2.332 6.054 -25.115 1.00 0.00 C ATOM 0 H VAL A 12 2.922 2.030 -26.524 1.00 0.00 H new ATOM 0 HA VAL A 12 1.861 3.531 -24.247 1.00 0.00 H new ATOM 0 HB VAL A 12 3.955 4.688 -24.924 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.111 5.739 -27.142 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.044 3.964 -27.254 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.599 4.934 -27.626 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.975 6.916 -25.292 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.416 6.159 -25.697 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.084 5.998 -24.055 1.00 0.00 H new ATOM 145 N GLN A 13 -0.165 4.134 -25.603 1.00 0.00 N ATOM 146 CA GLN A 13 -1.415 4.279 -26.341 1.00 0.00 C ATOM 147 C GLN A 13 -1.232 5.198 -27.545 1.00 0.00 C ATOM 148 O GLN A 13 -0.249 5.933 -27.635 1.00 0.00 O ATOM 149 CB GLN A 13 -2.511 4.828 -25.426 1.00 0.00 C ATOM 150 CG GLN A 13 -3.742 3.940 -25.351 1.00 0.00 C ATOM 151 CD GLN A 13 -4.358 3.912 -23.966 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.691 3.583 -22.984 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.637 4.258 -23.879 1.00 0.00 N ATOM 0 H GLN A 13 -0.213 4.432 -24.629 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.712 3.294 -26.701 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.105 4.957 -24.423 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.807 5.816 -25.779 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.484 4.293 -26.067 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.472 2.926 -25.645 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.152 4.524 -24.719 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.105 4.258 -22.973 1.00 0.00 H new ATOM 162 N THR A 14 -2.187 5.150 -28.469 1.00 0.00 N ATOM 163 CA THR A 14 -2.131 5.977 -29.668 1.00 0.00 C ATOM 164 C THR A 14 -3.346 6.893 -29.761 1.00 0.00 C ATOM 165 O THR A 14 -4.383 6.629 -29.153 1.00 0.00 O ATOM 166 CB THR A 14 -2.054 5.114 -30.942 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.318 4.489 -31.187 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.974 4.051 -30.811 1.00 0.00 C ATOM 0 H THR A 14 -3.008 4.547 -28.410 1.00 0.00 H new ATOM 0 HA THR A 14 -1.228 6.583 -29.593 1.00 0.00 H new ATOM 0 HB THR A 14 -1.802 5.764 -31.780 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.261 3.944 -31.999 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.938 3.454 -31.722 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.008 4.531 -30.654 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.200 3.405 -29.963 1.00 0.00 H new ATOM 176 N VAL A 15 -3.211 7.971 -30.527 1.00 0.00 N ATOM 177 CA VAL A 15 -4.299 8.926 -30.701 1.00 0.00 C ATOM 178 C VAL A 15 -5.586 8.223 -31.118 1.00 0.00 C ATOM 179 O VAL A 15 -6.675 8.590 -30.680 1.00 0.00 O ATOM 180 CB VAL A 15 -3.945 9.994 -31.754 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.038 11.049 -31.832 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.601 10.630 -31.437 1.00 0.00 C ATOM 0 H VAL A 15 -2.359 8.205 -31.037 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.451 9.413 -29.738 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.871 9.509 -32.727 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.771 11.795 -32.581 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.980 10.577 -32.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.147 11.532 -30.861 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.367 11.382 -32.191 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.644 11.102 -30.455 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.826 9.863 -31.437 1.00 0.00 H new ATOM 192 N GLY A 16 -5.451 7.210 -31.968 1.00 0.00 N ATOM 193 CA GLY A 16 -6.611 6.470 -32.430 1.00 0.00 C ATOM 194 C GLY A 16 -7.368 5.810 -31.295 1.00 0.00 C ATOM 195 O GLY A 16 -8.503 6.183 -30.998 1.00 0.00 O ATOM 0 H GLY A 16 -4.559 6.888 -32.345 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.280 7.145 -32.964 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.292 5.708 -33.141 1.00 0.00 H new ATOM 199 N GLN A 17 -6.740 4.826 -30.660 1.00 0.00 N ATOM 200 CA GLN A 17 -7.363 4.111 -29.553 1.00 0.00 C ATOM 201 C GLN A 17 -7.724 5.068 -28.421 1.00 0.00 C ATOM 202 O GLN A 17 -8.683 4.839 -27.684 1.00 0.00 O ATOM 203 CB GLN A 17 -6.428 3.018 -29.033 1.00 0.00 C ATOM 204 CG GLN A 17 -6.358 1.798 -29.937 1.00 0.00 C ATOM 205 CD GLN A 17 -6.009 0.531 -29.181 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.803 0.032 -28.382 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.817 0.002 -29.429 1.00 0.00 N ATOM 0 H GLN A 17 -5.800 4.506 -30.893 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.280 3.650 -29.922 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.427 3.433 -28.918 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.761 2.708 -28.042 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.317 1.666 -30.437 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.614 1.969 -30.715 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.190 0.448 -30.099 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.528 -0.851 -28.950 1.00 0.00 H new ATOM 216 N TRP A 18 -6.951 6.140 -28.291 1.00 0.00 N ATOM 217 CA TRP A 18 -7.189 7.132 -27.248 1.00 0.00 C ATOM 218 C TRP A 18 -8.461 7.924 -27.531 1.00 0.00 C ATOM 219 O TRP A 18 -9.250 8.194 -26.625 1.00 0.00 O ATOM 220 CB TRP A 18 -5.996 8.082 -27.138 1.00 0.00 C ATOM 221 CG TRP A 18 -6.239 9.236 -26.212 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.486 9.172 -24.871 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.260 10.624 -26.561 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.660 10.438 -24.364 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.525 11.346 -25.381 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.079 11.328 -27.754 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.614 12.735 -25.362 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.168 12.707 -27.735 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.433 13.399 -26.545 1.00 0.00 C ATOM 0 H TRP A 18 -6.154 6.345 -28.894 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.314 6.606 -26.302 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.127 7.524 -26.791 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.753 8.465 -28.129 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.537 8.261 -24.293 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.857 10.664 -23.389 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.873 10.804 -28.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.819 13.270 -24.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.031 13.261 -28.652 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.496 14.477 -26.562 1.00 0.00 H new ATOM 240 N LEU A 19 -8.654 8.293 -28.792 1.00 0.00 N ATOM 241 CA LEU A 19 -9.832 9.055 -29.194 1.00 0.00 C ATOM 242 C LEU A 19 -11.092 8.202 -29.093 1.00 0.00 C ATOM 243 O LEU A 19 -12.138 8.674 -28.649 1.00 0.00 O ATOM 244 CB LEU A 19 -9.666 9.571 -30.624 1.00 0.00 C ATOM 245 CG LEU A 19 -8.794 10.817 -30.791 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.376 10.985 -32.243 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.532 12.054 -30.300 1.00 0.00 C ATOM 0 H LEU A 19 -8.011 8.077 -29.554 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.934 9.903 -28.517 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.242 8.771 -31.231 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.655 9.787 -31.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.895 10.691 -30.188 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.756 11.876 -32.342 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.808 10.111 -32.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.263 11.088 -32.867 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.897 12.931 -30.426 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.448 12.184 -30.876 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.780 11.935 -29.245 1.00 0.00 H new ATOM 259 N GLU A 20 -10.984 6.943 -29.506 1.00 0.00 N ATOM 260 CA GLU A 20 -12.116 6.024 -29.460 1.00 0.00 C ATOM 261 C GLU A 20 -12.571 5.793 -28.022 1.00 0.00 C ATOM 262 O GLU A 20 -13.732 5.471 -27.771 1.00 0.00 O ATOM 263 CB GLU A 20 -11.744 4.690 -30.109 1.00 0.00 C ATOM 264 CG GLU A 20 -11.337 4.815 -31.568 1.00 0.00 C ATOM 265 CD GLU A 20 -12.289 4.097 -32.504 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.444 4.552 -32.639 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.879 3.080 -33.101 1.00 0.00 O ATOM 0 H GLU A 20 -10.125 6.536 -29.876 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.939 6.473 -30.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.924 4.239 -29.549 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.593 4.010 -30.034 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.293 5.870 -31.840 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.333 4.411 -31.697 1.00 0.00 H new ATOM 274 N SER A 21 -11.647 5.961 -27.081 1.00 0.00 N ATOM 275 CA SER A 21 -11.951 5.767 -25.668 1.00 0.00 C ATOM 276 C SER A 21 -12.934 6.823 -25.173 1.00 0.00 C ATOM 277 O SER A 21 -14.051 6.505 -24.766 1.00 0.00 O ATOM 278 CB SER A 21 -10.667 5.819 -24.836 1.00 0.00 C ATOM 279 OG SER A 21 -10.684 4.842 -23.810 1.00 0.00 O ATOM 0 H SER A 21 -10.682 6.231 -27.272 1.00 0.00 H new ATOM 0 HA SER A 21 -12.411 4.786 -25.553 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.804 5.657 -25.482 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.555 6.810 -24.397 1.00 0.00 H new ATOM 0 HG SER A 21 -9.852 4.895 -23.294 1.00 0.00 H new ATOM 285 N ILE A 22 -12.509 8.082 -25.213 1.00 0.00 N ATOM 286 CA ILE A 22 -13.352 9.186 -24.770 1.00 0.00 C ATOM 287 C ILE A 22 -14.714 9.147 -25.455 1.00 0.00 C ATOM 288 O ILE A 22 -15.730 9.505 -24.861 1.00 0.00 O ATOM 289 CB ILE A 22 -12.688 10.547 -25.050 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.233 10.628 -26.509 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.512 10.766 -24.110 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.591 11.949 -26.869 1.00 0.00 C ATOM 0 H ILE A 22 -11.587 8.362 -25.547 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.486 9.070 -23.694 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.421 11.335 -24.874 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.524 9.823 -26.705 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.092 10.462 -27.159 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.053 11.732 -24.320 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.863 10.748 -23.078 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.776 9.975 -24.257 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.293 11.935 -27.917 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.304 12.757 -26.705 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.712 12.109 -26.244 1.00 0.00 H new ATOM 304 N GLY A 23 -14.727 8.706 -26.710 1.00 0.00 N ATOM 305 CA GLY A 23 -15.970 8.626 -27.454 1.00 0.00 C ATOM 306 C GLY A 23 -16.093 9.721 -28.496 1.00 0.00 C ATOM 307 O GLY A 23 -17.151 10.336 -28.639 1.00 0.00 O ATOM 0 H GLY A 23 -13.899 8.403 -27.224 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.035 7.654 -27.943 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.809 8.691 -26.762 1.00 0.00 H new ATOM 311 N LEU A 24 -15.010 9.966 -29.225 1.00 0.00 N ATOM 312 CA LEU A 24 -15.001 10.995 -30.259 1.00 0.00 C ATOM 313 C LEU A 24 -14.013 10.645 -31.367 1.00 0.00 C ATOM 314 O LEU A 24 -12.985 11.299 -31.545 1.00 0.00 O ATOM 315 CB LEU A 24 -14.643 12.353 -29.651 1.00 0.00 C ATOM 316 CG LEU A 24 -15.770 13.074 -28.910 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.224 14.267 -28.140 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.852 13.516 -29.884 1.00 0.00 C ATOM 0 H LEU A 24 -14.127 9.466 -29.119 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.000 11.049 -30.692 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.813 12.212 -28.959 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.286 13.003 -30.449 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.213 12.379 -28.197 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.040 14.768 -27.619 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.486 13.925 -27.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.755 14.964 -28.834 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.646 14.027 -29.339 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.423 14.195 -30.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.264 12.643 -30.391 1.00 0.00 H new ATOM 330 N PRO A 25 -14.331 9.591 -32.132 1.00 0.00 N ATOM 331 CA PRO A 25 -13.485 9.132 -33.238 1.00 0.00 C ATOM 332 C PRO A 25 -13.485 10.107 -34.411 1.00 0.00 C ATOM 333 O PRO A 25 -12.558 10.116 -35.220 1.00 0.00 O ATOM 334 CB PRO A 25 -14.126 7.803 -33.647 1.00 0.00 C ATOM 335 CG PRO A 25 -15.549 7.923 -33.222 1.00 0.00 C ATOM 336 CD PRO A 25 -15.540 8.765 -31.977 1.00 0.00 C ATOM 0 HA PRO A 25 -12.440 9.043 -32.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.046 7.639 -34.722 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.637 6.960 -33.159 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.152 8.387 -34.003 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.982 6.942 -33.026 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.438 9.378 -31.900 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.495 8.151 -31.077 1.00 0.00 H new ATOM 344 N GLN A 26 -14.529 10.925 -34.494 1.00 0.00 N ATOM 345 CA GLN A 26 -14.648 11.903 -35.569 1.00 0.00 C ATOM 346 C GLN A 26 -13.425 12.814 -35.614 1.00 0.00 C ATOM 347 O GLN A 26 -13.087 13.365 -36.661 1.00 0.00 O ATOM 348 CB GLN A 26 -15.915 12.741 -35.387 1.00 0.00 C ATOM 349 CG GLN A 26 -15.945 13.522 -34.083 1.00 0.00 C ATOM 350 CD GLN A 26 -17.245 13.340 -33.324 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.703 12.216 -33.115 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.846 14.447 -32.904 1.00 0.00 N ATOM 0 H GLN A 26 -15.304 10.930 -33.831 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.711 11.362 -36.513 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.003 13.438 -36.220 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.784 12.084 -35.428 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.114 13.204 -33.454 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.797 14.581 -34.295 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.431 15.358 -33.099 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.723 14.386 -32.386 1.00 0.00 H new ATOM 361 N TYR A 27 -12.765 12.966 -34.471 1.00 0.00 N ATOM 362 CA TYR A 27 -11.581 13.812 -34.379 1.00 0.00 C ATOM 363 C TYR A 27 -10.309 12.990 -34.560 1.00 0.00 C ATOM 364 O TYR A 27 -9.307 13.219 -33.883 1.00 0.00 O ATOM 365 CB TYR A 27 -11.547 14.534 -33.031 1.00 0.00 C ATOM 366 CG TYR A 27 -12.778 15.370 -32.761 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.279 16.236 -33.725 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.440 15.293 -31.542 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.403 17.002 -33.482 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.565 16.054 -31.291 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.042 16.907 -32.264 1.00 0.00 C ATOM 372 OH TYR A 27 -16.163 17.668 -32.018 1.00 0.00 O ATOM 0 H TYR A 27 -13.030 12.514 -33.596 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.631 14.551 -35.178 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.437 13.797 -32.236 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.667 15.176 -32.994 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.781 16.312 -34.681 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.069 14.627 -30.778 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.779 17.671 -34.242 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.068 15.981 -30.338 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.692 17.251 -31.306 1.00 0.00 H new ATOM 382 N GLU A 28 -10.357 12.031 -35.479 1.00 0.00 N ATOM 383 CA GLU A 28 -9.209 11.173 -35.750 1.00 0.00 C ATOM 384 C GLU A 28 -8.283 11.813 -36.780 1.00 0.00 C ATOM 385 O GLU A 28 -7.065 11.657 -36.716 1.00 0.00 O ATOM 386 CB GLU A 28 -9.674 9.803 -36.247 1.00 0.00 C ATOM 387 CG GLU A 28 -8.546 8.795 -36.397 1.00 0.00 C ATOM 388 CD GLU A 28 -9.047 7.408 -36.747 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.277 7.197 -36.718 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.208 6.533 -37.050 1.00 0.00 O ATOM 0 H GLU A 28 -11.179 11.828 -36.049 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.656 11.045 -34.820 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.415 9.406 -35.553 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.172 9.925 -37.209 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.860 9.136 -37.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.979 8.749 -35.467 1.00 0.00 H new ATOM 397 N ASN A 29 -8.872 12.534 -37.729 1.00 0.00 N ATOM 398 CA ASN A 29 -8.100 13.197 -38.774 1.00 0.00 C ATOM 399 C ASN A 29 -7.778 14.636 -38.382 1.00 0.00 C ATOM 400 O ASN A 29 -6.788 15.208 -38.840 1.00 0.00 O ATOM 401 CB ASN A 29 -8.871 13.177 -40.096 1.00 0.00 C ATOM 402 CG ASN A 29 -7.984 13.487 -41.287 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.222 14.449 -42.018 1.00 0.00 O ATOM 404 ND2 ASN A 29 -6.956 12.671 -41.487 1.00 0.00 N ATOM 0 H ASN A 29 -9.880 12.674 -37.796 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.163 12.655 -38.899 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.328 12.197 -40.232 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.682 13.904 -40.052 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.325 12.829 -42.272 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.797 11.886 -40.855 1.00 0.00 H new ATOM 411 N HIS A 30 -8.619 15.215 -37.532 1.00 0.00 N ATOM 412 CA HIS A 30 -8.423 16.586 -37.076 1.00 0.00 C ATOM 413 C HIS A 30 -7.043 16.759 -36.449 1.00 0.00 C ATOM 414 O HIS A 30 -6.328 17.715 -36.751 1.00 0.00 O ATOM 415 CB HIS A 30 -9.506 16.971 -36.068 1.00 0.00 C ATOM 416 CG HIS A 30 -10.703 17.619 -36.693 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.732 16.903 -37.268 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.034 18.924 -36.829 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.642 17.740 -37.733 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.243 18.973 -37.478 1.00 0.00 N ATOM 0 H HIS A 30 -9.443 14.756 -37.145 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.494 17.244 -37.942 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.825 16.078 -35.531 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.079 17.650 -35.330 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.455 19.770 -36.490 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.557 17.463 -38.236 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.750 19.823 -37.723 1.00 0.00 H new ATOM 428 N LEU A 31 -6.675 15.828 -35.576 1.00 0.00 N ATOM 429 CA LEU A 31 -5.380 15.877 -34.905 1.00 0.00 C ATOM 430 C LEU A 31 -4.263 15.437 -35.846 1.00 0.00 C ATOM 431 O LEU A 31 -3.252 16.124 -35.988 1.00 0.00 O ATOM 432 CB LEU A 31 -5.395 14.988 -33.661 1.00 0.00 C ATOM 433 CG LEU A 31 -6.154 15.537 -32.452 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.491 14.830 -32.296 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.321 15.391 -31.187 1.00 0.00 C ATOM 0 H LEU A 31 -7.255 15.030 -35.316 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.192 16.908 -34.605 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.830 14.026 -33.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.364 14.799 -33.362 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.343 16.598 -32.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.017 15.233 -31.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.092 14.987 -33.192 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.324 13.762 -32.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.877 15.787 -30.337 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.100 14.337 -31.017 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.388 15.944 -31.300 1.00 0.00 H new ATOM 447 N MET A 32 -4.454 14.288 -36.487 1.00 0.00 N ATOM 448 CA MET A 32 -3.464 13.759 -37.417 1.00 0.00 C ATOM 449 C MET A 32 -3.076 14.808 -38.453 1.00 0.00 C ATOM 450 O MET A 32 -1.907 15.175 -38.572 1.00 0.00 O ATOM 451 CB MET A 32 -4.005 12.510 -38.115 1.00 0.00 C ATOM 452 CG MET A 32 -3.966 11.263 -37.247 1.00 0.00 C ATOM 453 SD MET A 32 -2.354 10.457 -37.260 1.00 0.00 S ATOM 454 CE MET A 32 -2.541 9.302 -35.904 1.00 0.00 C ATOM 0 H MET A 32 -5.285 13.706 -36.379 1.00 0.00 H new ATOM 0 HA MET A 32 -2.574 13.491 -36.848 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.033 12.694 -38.426 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.426 12.330 -39.021 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.226 11.530 -36.223 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.722 10.559 -37.595 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.622 8.727 -35.786 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.746 9.850 -34.985 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.368 8.624 -36.115 1.00 0.00 H new ATOM 464 N ALA A 33 -4.063 15.287 -39.203 1.00 0.00 N ATOM 465 CA ALA A 33 -3.825 16.295 -40.228 1.00 0.00 C ATOM 466 C ALA A 33 -3.057 17.484 -39.661 1.00 0.00 C ATOM 467 O ALA A 33 -2.077 17.940 -40.249 1.00 0.00 O ATOM 468 CB ALA A 33 -5.143 16.755 -40.832 1.00 0.00 C ATOM 0 H ALA A 33 -5.036 14.993 -39.120 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.217 15.844 -41.012 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.950 17.508 -41.596 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.654 15.904 -41.282 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.771 17.183 -40.051 1.00 0.00 H new ATOM 474 N ASN A 34 -3.509 17.982 -38.514 1.00 0.00 N ATOM 475 CA ASN A 34 -2.864 19.120 -37.869 1.00 0.00 C ATOM 476 C ASN A 34 -1.403 18.811 -37.555 1.00 0.00 C ATOM 477 O ASN A 34 -0.570 19.713 -37.478 1.00 0.00 O ATOM 478 CB ASN A 34 -3.606 19.491 -36.583 1.00 0.00 C ATOM 479 CG ASN A 34 -4.548 20.663 -36.777 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.176 21.816 -36.556 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.776 20.373 -37.192 1.00 0.00 N ATOM 0 H ASN A 34 -4.318 17.616 -38.013 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.899 19.964 -38.558 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.172 18.628 -36.231 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.881 19.735 -35.806 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.454 21.120 -37.340 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.041 19.403 -37.363 1.00 0.00 H new ATOM 488 N GLY A 35 -1.100 17.529 -37.375 1.00 0.00 N ATOM 489 CA GLY A 35 0.260 17.124 -37.073 1.00 0.00 C ATOM 490 C GLY A 35 0.410 16.606 -35.656 1.00 0.00 C ATOM 491 O GLY A 35 1.453 16.788 -35.028 1.00 0.00 O ATOM 0 H GLY A 35 -1.772 16.764 -37.433 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.569 16.349 -37.774 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.929 17.972 -37.219 1.00 0.00 H new ATOM 495 N PHE A 36 -0.636 15.960 -35.151 1.00 0.00 N ATOM 496 CA PHE A 36 -0.618 15.417 -33.798 1.00 0.00 C ATOM 497 C PHE A 36 -0.702 13.893 -33.822 1.00 0.00 C ATOM 498 O PHE A 36 -1.790 13.322 -33.902 1.00 0.00 O ATOM 499 CB PHE A 36 -1.777 15.990 -32.980 1.00 0.00 C ATOM 500 CG PHE A 36 -1.465 17.315 -32.345 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.601 17.395 -31.265 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.036 18.481 -32.829 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.312 18.613 -30.679 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.750 19.702 -32.247 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.888 19.767 -31.170 1.00 0.00 C ATOM 0 H PHE A 36 -1.506 15.800 -35.658 1.00 0.00 H new ATOM 0 HA PHE A 36 0.324 15.704 -33.331 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.647 16.102 -33.627 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.048 15.278 -32.201 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.148 16.495 -30.876 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.712 18.436 -33.670 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.364 18.662 -29.838 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.200 20.604 -32.634 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.665 20.720 -30.713 1.00 0.00 H new ATOM 515 N ASP A 37 0.454 13.242 -33.754 1.00 0.00 N ATOM 516 CA ASP A 37 0.512 11.785 -33.768 1.00 0.00 C ATOM 517 C ASP A 37 1.238 11.258 -32.534 1.00 0.00 C ATOM 518 O ASP A 37 1.812 10.170 -32.557 1.00 0.00 O ATOM 519 CB ASP A 37 1.213 11.293 -35.036 1.00 0.00 C ATOM 520 CG ASP A 37 2.601 11.883 -35.196 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.703 13.047 -35.638 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.584 11.182 -34.879 1.00 0.00 O ATOM 0 H ASP A 37 1.363 13.700 -33.689 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.510 11.405 -33.756 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.284 10.206 -35.010 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.609 11.552 -35.906 1.00 0.00 H new ATOM 527 N ASN A 38 1.208 12.038 -31.458 1.00 0.00 N ATOM 528 CA ASN A 38 1.865 11.651 -30.215 1.00 0.00 C ATOM 529 C ASN A 38 0.964 11.929 -29.015 1.00 0.00 C ATOM 530 O ASN A 38 1.073 12.973 -28.372 1.00 0.00 O ATOM 531 CB ASN A 38 3.189 12.402 -30.058 1.00 0.00 C ATOM 532 CG ASN A 38 4.315 11.758 -30.844 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.179 10.640 -31.342 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.434 12.463 -30.958 1.00 0.00 N ATOM 0 H ASN A 38 0.736 12.941 -31.422 1.00 0.00 H new ATOM 0 HA ASN A 38 2.065 10.580 -30.257 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.061 13.432 -30.390 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.460 12.438 -29.003 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.226 12.082 -31.475 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.501 13.386 -30.528 1.00 0.00 H new ATOM 541 N VAL A 39 0.074 10.987 -28.719 1.00 0.00 N ATOM 542 CA VAL A 39 -0.844 11.129 -27.595 1.00 0.00 C ATOM 543 C VAL A 39 -0.089 11.395 -26.298 1.00 0.00 C ATOM 544 O VAL A 39 -0.593 12.071 -25.403 1.00 0.00 O ATOM 545 CB VAL A 39 -1.716 9.872 -27.421 1.00 0.00 C ATOM 546 CG1 VAL A 39 -0.867 8.690 -26.979 1.00 0.00 C ATOM 547 CG2 VAL A 39 -2.837 10.135 -26.427 1.00 0.00 C ATOM 0 H VAL A 39 -0.031 10.117 -29.242 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.487 11.980 -27.817 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.165 9.626 -28.383 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.500 7.811 -26.861 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.104 8.489 -27.731 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.388 8.922 -26.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.443 9.236 -26.316 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.411 10.406 -25.461 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.461 10.951 -26.790 1.00 0.00 H new ATOM 557 N GLN A 40 1.124 10.857 -26.205 1.00 0.00 N ATOM 558 CA GLN A 40 1.949 11.036 -25.017 1.00 0.00 C ATOM 559 C GLN A 40 2.464 12.469 -24.922 1.00 0.00 C ATOM 560 O GLN A 40 2.761 12.962 -23.834 1.00 0.00 O ATOM 561 CB GLN A 40 3.125 10.059 -25.035 1.00 0.00 C ATOM 562 CG GLN A 40 3.963 10.139 -26.301 1.00 0.00 C ATOM 563 CD GLN A 40 4.273 8.774 -26.883 1.00 0.00 C ATOM 564 OE1 GLN A 40 4.530 7.818 -26.151 1.00 0.00 O ATOM 565 NE2 GLN A 40 4.249 8.676 -28.207 1.00 0.00 N ATOM 0 H GLN A 40 1.556 10.294 -26.938 1.00 0.00 H new ATOM 0 HA GLN A 40 1.331 10.833 -24.143 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.763 10.256 -24.174 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.745 9.043 -24.924 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.435 10.735 -27.045 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.897 10.657 -26.082 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.031 9.495 -28.775 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.448 7.782 -28.656 1.00 0.00 H new ATOM 574 N PHE A 41 2.567 13.132 -26.069 1.00 0.00 N ATOM 575 CA PHE A 41 3.048 14.508 -26.116 1.00 0.00 C ATOM 576 C PHE A 41 1.917 15.489 -25.823 1.00 0.00 C ATOM 577 O PHE A 41 2.153 16.605 -25.362 1.00 0.00 O ATOM 578 CB PHE A 41 3.659 14.811 -27.486 1.00 0.00 C ATOM 579 CG PHE A 41 5.110 14.437 -27.591 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.502 13.109 -27.552 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.082 15.415 -27.728 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.836 12.763 -27.647 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.419 15.075 -27.825 1.00 0.00 C ATOM 584 CZ PHE A 41 7.796 13.747 -27.785 1.00 0.00 C ATOM 0 H PHE A 41 2.324 12.739 -26.978 1.00 0.00 H new ATOM 0 HA PHE A 41 3.815 14.625 -25.350 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.098 14.276 -28.252 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.550 15.875 -27.696 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.756 12.335 -27.446 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.792 16.455 -27.759 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.128 11.724 -27.613 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.167 15.847 -27.932 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.839 13.478 -27.861 1.00 0.00 H new ATOM 594 N MET A 42 0.687 15.064 -26.096 1.00 0.00 N ATOM 595 CA MET A 42 -0.481 15.905 -25.861 1.00 0.00 C ATOM 596 C MET A 42 -0.483 16.448 -24.436 1.00 0.00 C ATOM 597 O MET A 42 -0.936 17.564 -24.187 1.00 0.00 O ATOM 598 CB MET A 42 -1.765 15.115 -26.120 1.00 0.00 C ATOM 599 CG MET A 42 -2.386 15.392 -27.480 1.00 0.00 C ATOM 600 SD MET A 42 -1.327 14.877 -28.845 1.00 0.00 S ATOM 601 CE MET A 42 -2.350 13.623 -29.613 1.00 0.00 C ATOM 0 H MET A 42 0.474 14.143 -26.480 1.00 0.00 H new ATOM 0 HA MET A 42 -0.436 16.747 -26.551 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.549 14.050 -26.039 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.491 15.353 -25.343 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.342 14.873 -27.551 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.595 16.458 -27.569 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.715 12.844 -30.035 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.013 13.186 -28.866 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.945 14.075 -30.406 1.00 0.00 H new ATOM 611 N GLY A 43 0.027 15.650 -23.502 1.00 0.00 N ATOM 612 CA GLY A 43 0.074 16.068 -22.113 1.00 0.00 C ATOM 613 C GLY A 43 1.183 17.065 -21.845 1.00 0.00 C ATOM 614 O GLY A 43 2.131 16.769 -21.118 1.00 0.00 O ATOM 0 H GLY A 43 0.408 14.721 -23.683 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.883 16.511 -21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.215 15.193 -21.478 1.00 0.00 H new ATOM 618 N SER A 44 1.066 18.251 -22.434 1.00 0.00 N ATOM 619 CA SER A 44 2.070 19.294 -22.260 1.00 0.00 C ATOM 620 C SER A 44 1.501 20.662 -22.626 1.00 0.00 C ATOM 621 O SER A 44 0.297 20.813 -22.823 1.00 0.00 O ATOM 622 CB SER A 44 3.301 18.995 -23.117 1.00 0.00 C ATOM 623 OG SER A 44 3.648 17.622 -23.049 1.00 0.00 O ATOM 0 H SER A 44 0.286 18.513 -23.036 1.00 0.00 H new ATOM 0 HA SER A 44 2.363 19.310 -21.210 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.103 19.273 -24.152 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.140 19.603 -22.779 1.00 0.00 H new ATOM 0 HG SER A 44 3.210 17.137 -23.779 1.00 0.00 H new ATOM 629 N ASN A 45 2.379 21.656 -22.715 1.00 0.00 N ATOM 630 CA ASN A 45 1.966 23.012 -23.057 1.00 0.00 C ATOM 631 C ASN A 45 1.283 23.045 -24.420 1.00 0.00 C ATOM 632 O ASN A 45 0.536 23.973 -24.730 1.00 0.00 O ATOM 633 CB ASN A 45 3.174 23.951 -23.056 1.00 0.00 C ATOM 634 CG ASN A 45 4.326 23.412 -23.883 1.00 0.00 C ATOM 635 OD1 ASN A 45 4.286 23.437 -25.113 1.00 0.00 O ATOM 636 ND2 ASN A 45 5.359 22.919 -23.209 1.00 0.00 N ATOM 0 H ASN A 45 3.381 21.548 -22.555 1.00 0.00 H new ATOM 0 HA ASN A 45 1.252 23.348 -22.305 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.875 24.924 -23.446 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.508 24.107 -22.030 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.162 22.541 -23.711 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.349 22.919 -22.189 1.00 0.00 H new ATOM 643 N VAL A 46 1.544 22.025 -25.232 1.00 0.00 N ATOM 644 CA VAL A 46 0.953 21.935 -26.561 1.00 0.00 C ATOM 645 C VAL A 46 -0.395 21.224 -26.517 1.00 0.00 C ATOM 646 O VAL A 46 -0.646 20.403 -25.636 1.00 0.00 O ATOM 647 CB VAL A 46 1.882 21.192 -27.539 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.990 19.722 -27.161 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.384 21.347 -28.969 1.00 0.00 C ATOM 0 H VAL A 46 2.161 21.249 -24.992 1.00 0.00 H new ATOM 0 HA VAL A 46 0.809 22.957 -26.913 1.00 0.00 H new ATOM 0 HB VAL A 46 2.876 21.634 -27.474 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.650 19.213 -27.863 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.395 19.634 -26.153 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.002 19.264 -27.196 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.052 20.816 -29.647 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.379 20.933 -29.051 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.363 22.404 -29.235 1.00 0.00 H new ATOM 659 N MET A 47 -1.259 21.544 -27.475 1.00 0.00 N ATOM 660 CA MET A 47 -2.581 20.934 -27.547 1.00 0.00 C ATOM 661 C MET A 47 -3.416 21.301 -26.324 1.00 0.00 C ATOM 662 O MET A 47 -3.857 20.427 -25.578 1.00 0.00 O ATOM 663 CB MET A 47 -2.459 19.413 -27.658 1.00 0.00 C ATOM 664 CG MET A 47 -3.732 18.735 -28.137 1.00 0.00 C ATOM 665 SD MET A 47 -3.602 18.128 -29.830 1.00 0.00 S ATOM 666 CE MET A 47 -5.240 18.502 -30.451 1.00 0.00 C ATOM 0 H MET A 47 -1.067 22.222 -28.212 1.00 0.00 H new ATOM 0 HA MET A 47 -3.083 21.317 -28.436 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.648 19.171 -28.344 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.185 19.007 -26.684 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.967 17.902 -27.474 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.561 19.439 -28.071 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.328 18.152 -31.480 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.986 18.003 -29.833 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.404 19.579 -30.419 1.00 0.00 H new ATOM 676 N GLU A 48 -3.628 22.598 -26.125 1.00 0.00 N ATOM 677 CA GLU A 48 -4.410 23.078 -24.991 1.00 0.00 C ATOM 678 C GLU A 48 -5.831 23.431 -25.420 1.00 0.00 C ATOM 679 O GLU A 48 -6.212 23.225 -26.573 1.00 0.00 O ATOM 680 CB GLU A 48 -3.737 24.300 -24.361 1.00 0.00 C ATOM 681 CG GLU A 48 -2.273 24.081 -24.020 1.00 0.00 C ATOM 682 CD GLU A 48 -1.611 25.326 -23.463 1.00 0.00 C ATOM 683 OE1 GLU A 48 -1.807 26.414 -24.044 1.00 0.00 O ATOM 684 OE2 GLU A 48 -0.897 25.212 -22.444 1.00 0.00 O ATOM 0 H GLU A 48 -3.270 23.334 -26.733 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.461 22.278 -24.252 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.819 25.143 -25.047 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.276 24.573 -23.454 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.190 23.274 -23.292 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.740 23.760 -24.915 1.00 0.00 H new ATOM 691 N ASP A 49 -6.610 23.962 -24.485 1.00 0.00 N ATOM 692 CA ASP A 49 -7.990 24.344 -24.764 1.00 0.00 C ATOM 693 C ASP A 49 -8.066 25.242 -25.995 1.00 0.00 C ATOM 694 O ASP A 49 -9.063 25.237 -26.717 1.00 0.00 O ATOM 695 CB ASP A 49 -8.598 25.059 -23.557 1.00 0.00 C ATOM 696 CG ASP A 49 -10.114 25.065 -23.591 1.00 0.00 C ATOM 697 OD1 ASP A 49 -10.687 24.577 -24.588 1.00 0.00 O ATOM 698 OD2 ASP A 49 -10.727 25.558 -22.621 1.00 0.00 O ATOM 0 H ASP A 49 -6.310 24.138 -23.526 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.560 23.436 -24.963 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.260 24.573 -22.642 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.234 26.086 -23.525 1.00 0.00 H new ATOM 703 N GLN A 50 -7.007 26.011 -26.227 1.00 0.00 N ATOM 704 CA GLN A 50 -6.955 26.915 -27.370 1.00 0.00 C ATOM 705 C GLN A 50 -6.563 26.166 -28.640 1.00 0.00 C ATOM 706 O GLN A 50 -7.182 26.338 -29.690 1.00 0.00 O ATOM 707 CB GLN A 50 -5.964 28.049 -27.106 1.00 0.00 C ATOM 708 CG GLN A 50 -6.450 29.407 -27.586 1.00 0.00 C ATOM 709 CD GLN A 50 -6.578 29.481 -29.094 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.608 29.269 -29.823 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.780 29.782 -29.573 1.00 0.00 N ATOM 0 H GLN A 50 -6.174 26.026 -25.639 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.950 27.337 -27.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.762 28.102 -26.036 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.019 27.816 -27.597 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.417 29.624 -27.132 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.758 30.177 -27.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.556 29.950 -28.933 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.926 29.845 -30.580 1.00 0.00 H new ATOM 720 N ASP A 51 -5.532 25.335 -28.536 1.00 0.00 N ATOM 721 CA ASP A 51 -5.057 24.559 -29.676 1.00 0.00 C ATOM 722 C ASP A 51 -6.174 23.688 -30.242 1.00 0.00 C ATOM 723 O ASP A 51 -6.140 23.299 -31.411 1.00 0.00 O ATOM 724 CB ASP A 51 -3.870 23.687 -29.267 1.00 0.00 C ATOM 725 CG ASP A 51 -2.690 24.506 -28.779 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.836 25.205 -27.755 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.622 24.446 -29.422 1.00 0.00 O ATOM 0 H ASP A 51 -5.009 25.181 -27.674 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.736 25.255 -30.451 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.182 23.000 -28.480 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.560 23.079 -30.117 1.00 0.00 H new ATOM 732 N LEU A 52 -7.161 23.383 -29.407 1.00 0.00 N ATOM 733 CA LEU A 52 -8.287 22.555 -29.824 1.00 0.00 C ATOM 734 C LEU A 52 -9.336 23.390 -30.552 1.00 0.00 C ATOM 735 O LEU A 52 -10.156 22.860 -31.302 1.00 0.00 O ATOM 736 CB LEU A 52 -8.918 21.868 -28.611 1.00 0.00 C ATOM 737 CG LEU A 52 -8.013 20.908 -27.838 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.624 20.569 -26.487 1.00 0.00 C ATOM 739 CD2 LEU A 52 -7.765 19.642 -28.646 1.00 0.00 C ATOM 0 H LEU A 52 -7.204 23.697 -28.437 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.913 21.795 -30.510 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.268 22.638 -27.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.796 21.317 -28.947 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.055 21.400 -27.667 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.966 19.885 -25.951 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.749 21.482 -25.905 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.595 20.097 -26.635 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.119 18.970 -28.081 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.715 19.147 -28.848 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.283 19.901 -29.589 1.00 0.00 H new ATOM 751 N LEU A 53 -9.303 24.699 -30.326 1.00 0.00 N ATOM 752 CA LEU A 53 -10.250 25.609 -30.962 1.00 0.00 C ATOM 753 C LEU A 53 -9.702 26.124 -32.289 1.00 0.00 C ATOM 754 O LEU A 53 -10.462 26.508 -33.177 1.00 0.00 O ATOM 755 CB LEU A 53 -10.560 26.784 -30.034 1.00 0.00 C ATOM 756 CG LEU A 53 -11.325 27.950 -30.660 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.745 27.531 -31.009 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.336 29.147 -29.721 1.00 0.00 C ATOM 0 H LEU A 53 -8.631 25.154 -29.708 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.170 25.058 -31.159 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.136 26.410 -29.188 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.619 27.165 -29.636 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.817 28.240 -31.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.274 28.374 -31.453 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.716 26.705 -31.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.263 27.213 -30.104 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.885 29.967 -30.184 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.819 28.870 -28.784 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.312 29.463 -29.522 1.00 0.00 H new ATOM 770 N GLU A 54 -8.379 26.128 -32.416 1.00 0.00 N ATOM 771 CA GLU A 54 -7.730 26.595 -33.635 1.00 0.00 C ATOM 772 C GLU A 54 -7.684 25.489 -34.685 1.00 0.00 C ATOM 773 O GLU A 54 -7.753 25.754 -35.885 1.00 0.00 O ATOM 774 CB GLU A 54 -6.312 27.083 -33.330 1.00 0.00 C ATOM 775 CG GLU A 54 -5.324 25.959 -33.069 1.00 0.00 C ATOM 776 CD GLU A 54 -3.920 26.467 -32.805 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.760 27.685 -32.585 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.980 25.644 -32.818 1.00 0.00 O ATOM 0 H GLU A 54 -7.736 25.813 -31.690 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.315 27.425 -34.032 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.955 27.682 -34.168 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.342 27.738 -32.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.662 25.375 -32.213 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.308 25.287 -33.927 1.00 0.00 H new ATOM 785 N ILE A 55 -7.565 24.248 -34.224 1.00 0.00 N ATOM 786 CA ILE A 55 -7.509 23.102 -35.122 1.00 0.00 C ATOM 787 C ILE A 55 -8.784 22.991 -35.952 1.00 0.00 C ATOM 788 O ILE A 55 -8.765 22.490 -37.075 1.00 0.00 O ATOM 789 CB ILE A 55 -7.299 21.788 -34.346 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.306 21.681 -33.199 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.875 21.707 -33.817 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.391 20.297 -32.596 1.00 0.00 C ATOM 0 H ILE A 55 -7.506 24.011 -33.234 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.659 23.262 -35.785 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.461 20.952 -35.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.033 22.392 -32.419 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.292 21.971 -33.564 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.742 20.773 -33.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.174 21.742 -34.651 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.687 22.548 -33.149 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.124 20.296 -31.789 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.694 19.584 -33.363 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.416 20.012 -32.201 1.00 0.00 H new ATOM 804 N GLY A 56 -9.892 23.465 -35.390 1.00 0.00 N ATOM 805 CA GLY A 56 -11.161 23.411 -36.092 1.00 0.00 C ATOM 806 C GLY A 56 -12.314 23.043 -35.180 1.00 0.00 C ATOM 807 O GLY A 56 -13.412 23.584 -35.307 1.00 0.00 O ATOM 0 H GLY A 56 -9.933 23.885 -34.462 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.360 24.379 -36.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.095 22.683 -36.900 1.00 0.00 H new ATOM 811 N ILE A 57 -12.065 22.118 -34.258 1.00 0.00 N ATOM 812 CA ILE A 57 -13.091 21.678 -33.322 1.00 0.00 C ATOM 813 C ILE A 57 -13.742 22.866 -32.621 1.00 0.00 C ATOM 814 O ILE A 57 -13.161 23.458 -31.710 1.00 0.00 O ATOM 815 CB ILE A 57 -12.512 20.724 -32.260 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.875 19.505 -32.931 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.600 20.291 -31.288 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.110 18.619 -31.974 1.00 0.00 C ATOM 0 H ILE A 57 -11.162 21.659 -34.140 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.843 21.147 -33.905 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.740 21.252 -31.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.656 18.916 -33.413 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.201 19.844 -33.717 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.176 19.617 -30.544 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -14.013 21.168 -30.790 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.392 19.777 -31.833 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.686 17.776 -32.519 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.307 19.192 -31.511 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.785 18.250 -31.202 1.00 0.00 H new ATOM 830 N LEU A 58 -14.951 23.209 -33.049 1.00 0.00 N ATOM 831 CA LEU A 58 -15.683 24.325 -32.462 1.00 0.00 C ATOM 832 C LEU A 58 -16.576 23.850 -31.320 1.00 0.00 C ATOM 833 O LEU A 58 -16.880 24.608 -30.400 1.00 0.00 O ATOM 834 CB LEU A 58 -16.528 25.025 -33.528 1.00 0.00 C ATOM 835 CG LEU A 58 -15.809 25.373 -34.832 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.723 26.170 -35.749 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.531 26.149 -34.545 1.00 0.00 C ATOM 0 H LEU A 58 -15.446 22.730 -33.801 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.957 25.032 -32.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.379 24.387 -33.765 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.928 25.944 -33.100 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.542 24.444 -35.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -16.194 26.409 -36.672 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.610 25.580 -35.981 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -17.021 27.093 -35.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.032 26.388 -35.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.776 27.072 -34.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.869 25.543 -33.926 1.00 0.00 H new ATOM 849 N ASN A 59 -16.993 22.590 -31.387 1.00 0.00 N ATOM 850 CA ASN A 59 -17.850 22.013 -30.357 1.00 0.00 C ATOM 851 C ASN A 59 -17.256 22.231 -28.969 1.00 0.00 C ATOM 852 O ASN A 59 -16.313 21.546 -28.572 1.00 0.00 O ATOM 853 CB ASN A 59 -18.049 20.517 -30.610 1.00 0.00 C ATOM 854 CG ASN A 59 -19.228 20.236 -31.522 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.320 20.769 -31.325 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.011 19.395 -32.526 1.00 0.00 N ATOM 0 H ASN A 59 -16.752 21.949 -32.143 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.817 22.514 -30.401 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.144 20.103 -31.053 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.200 20.007 -29.658 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.766 19.167 -33.173 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.089 18.977 -32.651 1.00 0.00 H new ATOM 863 N SER A 60 -17.814 23.189 -28.236 1.00 0.00 N ATOM 864 CA SER A 60 -17.338 23.500 -26.894 1.00 0.00 C ATOM 865 C SER A 60 -17.534 22.310 -25.959 1.00 0.00 C ATOM 866 O SER A 60 -16.618 21.914 -25.240 1.00 0.00 O ATOM 867 CB SER A 60 -18.071 24.724 -26.341 1.00 0.00 C ATOM 868 OG SER A 60 -19.450 24.683 -26.665 1.00 0.00 O ATOM 0 H SER A 60 -18.597 23.763 -28.549 1.00 0.00 H new ATOM 0 HA SER A 60 -16.272 23.720 -26.955 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.950 24.766 -25.259 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.626 25.632 -26.747 1.00 0.00 H new ATOM 0 HG SER A 60 -19.896 25.475 -26.299 1.00 0.00 H new ATOM 874 N GLY A 61 -18.737 21.745 -25.975 1.00 0.00 N ATOM 875 CA GLY A 61 -19.034 20.606 -25.125 1.00 0.00 C ATOM 876 C GLY A 61 -18.126 19.425 -25.401 1.00 0.00 C ATOM 877 O GLY A 61 -17.994 18.526 -24.570 1.00 0.00 O ATOM 0 H GLY A 61 -19.512 22.055 -26.561 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.935 20.900 -24.080 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.071 20.306 -25.274 1.00 0.00 H new ATOM 881 N HIS A 62 -17.498 19.424 -26.573 1.00 0.00 N ATOM 882 CA HIS A 62 -16.598 18.342 -26.957 1.00 0.00 C ATOM 883 C HIS A 62 -15.166 18.648 -26.527 1.00 0.00 C ATOM 884 O HIS A 62 -14.454 17.771 -26.038 1.00 0.00 O ATOM 885 CB HIS A 62 -16.652 18.119 -28.469 1.00 0.00 C ATOM 886 CG HIS A 62 -17.912 17.455 -28.932 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.319 17.449 -30.249 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.856 16.770 -28.244 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.461 16.791 -30.352 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.807 16.369 -29.149 1.00 0.00 N ATOM 0 H HIS A 62 -17.596 20.160 -27.273 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.924 17.433 -26.451 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.551 19.080 -28.973 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.799 17.510 -28.769 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.860 16.576 -27.182 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -20.016 16.627 -31.264 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.646 15.832 -28.928 1.00 0.00 H new ATOM 898 N ARG A 63 -14.752 19.897 -26.713 1.00 0.00 N ATOM 899 CA ARG A 63 -13.405 20.317 -26.346 1.00 0.00 C ATOM 900 C ARG A 63 -13.108 19.980 -24.888 1.00 0.00 C ATOM 901 O ARG A 63 -12.064 19.410 -24.573 1.00 0.00 O ATOM 902 CB ARG A 63 -13.235 21.820 -26.578 1.00 0.00 C ATOM 903 CG ARG A 63 -12.998 22.189 -28.033 1.00 0.00 C ATOM 904 CD ARG A 63 -12.206 23.481 -28.158 1.00 0.00 C ATOM 905 NE ARG A 63 -12.828 24.578 -27.421 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.878 25.260 -27.866 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.420 24.959 -29.038 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.388 26.245 -27.138 1.00 0.00 N ATOM 0 H ARG A 63 -15.330 20.635 -27.115 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.699 19.777 -26.977 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.126 22.337 -26.221 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.397 22.179 -25.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.461 21.382 -28.531 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.955 22.297 -28.543 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.194 23.323 -27.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.121 23.753 -29.210 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.435 24.835 -26.515 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.031 24.202 -29.600 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.226 25.484 -29.377 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.974 26.479 -26.236 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.194 26.768 -27.481 1.00 0.00 H new ATOM 922 N GLN A 64 -14.034 20.337 -24.003 1.00 0.00 N ATOM 923 CA GLN A 64 -13.870 20.073 -22.579 1.00 0.00 C ATOM 924 C GLN A 64 -13.536 18.605 -22.331 1.00 0.00 C ATOM 925 O GLN A 64 -12.740 18.280 -21.451 1.00 0.00 O ATOM 926 CB GLN A 64 -15.142 20.454 -21.819 1.00 0.00 C ATOM 927 CG GLN A 64 -16.357 19.631 -22.216 1.00 0.00 C ATOM 928 CD GLN A 64 -17.664 20.298 -21.833 1.00 0.00 C ATOM 929 OE1 GLN A 64 -17.783 21.523 -21.869 1.00 0.00 O ATOM 930 NE2 GLN A 64 -18.653 19.494 -21.463 1.00 0.00 N ATOM 0 H GLN A 64 -14.904 20.809 -24.247 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.041 20.681 -22.216 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.966 20.335 -20.750 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.356 21.509 -21.991 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.341 19.463 -23.293 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.300 18.652 -21.740 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -18.511 18.484 -21.448 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -19.555 19.886 -21.194 1.00 0.00 H new ATOM 939 N ARG A 65 -14.151 17.724 -23.114 1.00 0.00 N ATOM 940 CA ARG A 65 -13.920 16.291 -22.978 1.00 0.00 C ATOM 941 C ARG A 65 -12.493 15.930 -23.381 1.00 0.00 C ATOM 942 O ARG A 65 -11.860 15.076 -22.760 1.00 0.00 O ATOM 943 CB ARG A 65 -14.916 15.509 -23.836 1.00 0.00 C ATOM 944 CG ARG A 65 -16.114 14.989 -23.057 1.00 0.00 C ATOM 945 CD ARG A 65 -17.351 14.893 -23.936 1.00 0.00 C ATOM 946 NE ARG A 65 -18.578 14.827 -23.148 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.729 14.359 -23.618 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.809 13.918 -24.866 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.803 14.331 -22.840 1.00 0.00 N ATOM 0 H ARG A 65 -14.812 17.977 -23.848 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.063 16.023 -21.931 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.269 16.150 -24.644 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.401 14.667 -24.299 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.883 14.007 -22.644 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.316 15.650 -22.214 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.392 15.757 -24.599 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.278 14.008 -24.569 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.550 15.158 -22.184 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.986 13.938 -25.468 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.694 13.559 -25.224 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.746 14.669 -21.879 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.686 13.971 -23.202 1.00 0.00 H new ATOM 963 N ILE A 66 -11.994 16.586 -24.423 1.00 0.00 N ATOM 964 CA ILE A 66 -10.642 16.334 -24.908 1.00 0.00 C ATOM 965 C ILE A 66 -9.600 16.790 -23.892 1.00 0.00 C ATOM 966 O ILE A 66 -8.644 16.071 -23.601 1.00 0.00 O ATOM 967 CB ILE A 66 -10.383 17.047 -26.248 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.477 16.695 -27.258 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.012 16.671 -26.791 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.313 17.388 -28.592 1.00 0.00 C ATOM 0 H ILE A 66 -12.505 17.296 -24.948 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.555 15.258 -25.056 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.403 18.124 -26.080 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.481 15.617 -27.416 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.447 16.959 -26.837 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.843 17.183 -27.739 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.244 16.967 -26.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.966 15.593 -26.947 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.123 17.092 -29.258 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.339 18.468 -28.447 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.358 17.104 -29.034 1.00 0.00 H new ATOM 982 N LEU A 67 -9.793 17.989 -23.353 1.00 0.00 N ATOM 983 CA LEU A 67 -8.871 18.542 -22.367 1.00 0.00 C ATOM 984 C LEU A 67 -8.643 17.559 -21.224 1.00 0.00 C ATOM 985 O LEU A 67 -7.503 17.241 -20.885 1.00 0.00 O ATOM 986 CB LEU A 67 -9.412 19.864 -21.819 1.00 0.00 C ATOM 987 CG LEU A 67 -9.062 21.117 -22.622 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.035 22.242 -22.307 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.632 21.551 -22.337 1.00 0.00 C ATOM 0 H LEU A 67 -10.580 18.597 -23.582 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.916 18.724 -22.860 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.498 19.790 -21.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.040 19.992 -20.803 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.144 20.880 -23.683 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.770 23.126 -22.888 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.047 21.930 -22.563 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.986 22.478 -21.244 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.400 22.444 -22.917 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.523 21.770 -21.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.947 20.750 -22.615 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.734 17.081 -20.635 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.652 16.132 -19.530 1.00 0.00 C ATOM 1003 C GLN A 68 -8.810 14.920 -19.915 1.00 0.00 C ATOM 1004 O GLN A 68 -7.900 14.528 -19.185 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.053 15.683 -19.112 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.327 15.851 -17.626 1.00 0.00 C ATOM 1007 CD GLN A 68 -11.603 14.533 -16.930 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.426 13.737 -17.386 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -10.915 14.293 -15.820 1.00 0.00 N ATOM 0 H GLN A 68 -10.685 17.335 -20.904 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.172 16.632 -18.689 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.792 16.253 -19.676 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.185 14.635 -19.381 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.471 16.334 -17.155 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.181 16.515 -17.491 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.243 14.980 -15.478 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.058 13.422 -15.310 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.120 14.331 -21.065 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.391 13.165 -21.547 1.00 0.00 C ATOM 1020 C ALA A 69 -6.887 13.420 -21.549 1.00 0.00 C ATOM 1021 O ALA A 69 -6.107 12.587 -21.088 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.866 12.785 -22.942 1.00 0.00 C ATOM 0 H ALA A 69 -9.871 14.643 -21.680 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.591 12.336 -20.869 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.313 11.912 -23.290 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.930 12.552 -22.913 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.695 13.618 -23.624 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.489 14.575 -22.071 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.079 14.939 -22.132 1.00 0.00 C ATOM 1030 C ILE A 70 -4.505 15.152 -20.735 1.00 0.00 C ATOM 1031 O ILE A 70 -3.329 14.882 -20.489 1.00 0.00 O ATOM 1032 CB ILE A 70 -4.862 16.217 -22.964 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.394 16.022 -24.385 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.387 16.588 -22.990 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.292 17.263 -25.244 1.00 0.00 C ATOM 0 H ILE A 70 -7.123 15.275 -22.458 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.560 14.110 -22.613 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.413 17.034 -22.499 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.842 15.213 -24.863 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.437 15.710 -24.334 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.250 17.493 -23.582 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.038 16.763 -21.972 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.815 15.774 -23.435 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.687 17.051 -26.237 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.867 18.069 -24.789 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.248 17.564 -25.326 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.343 15.636 -19.824 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.919 15.883 -18.451 1.00 0.00 C ATOM 1049 C GLN A 71 -4.642 14.573 -17.722 1.00 0.00 C ATOM 1050 O GLN A 71 -3.697 14.474 -16.938 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.986 16.683 -17.702 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.764 18.186 -17.748 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.146 18.872 -16.451 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.322 18.932 -16.089 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.152 19.394 -15.742 1.00 0.00 N ATOM 0 H GLN A 71 -6.319 15.865 -20.012 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.996 16.462 -18.481 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.964 16.455 -18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.007 16.359 -16.661 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.715 18.388 -17.966 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.347 18.611 -18.565 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.192 19.321 -16.079 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.348 19.867 -14.860 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.471 13.569 -17.985 1.00 0.00 N ATOM 1065 CA LEU A 72 -5.316 12.263 -17.353 1.00 0.00 C ATOM 1066 C LEU A 72 -4.141 11.502 -17.958 1.00 0.00 C ATOM 1067 O LEU A 72 -3.517 10.673 -17.294 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.601 11.446 -17.505 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.873 12.086 -16.948 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -9.079 11.200 -17.220 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.729 12.350 -15.456 1.00 0.00 C ATOM 0 H LEU A 72 -6.257 13.634 -18.631 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.116 12.420 -16.293 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.755 11.242 -18.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.457 10.484 -17.013 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.027 13.040 -17.452 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.975 11.671 -16.817 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.194 11.062 -18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.933 10.231 -16.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.644 12.806 -15.077 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.550 11.409 -14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.890 13.025 -15.285 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.843 11.789 -19.220 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.741 11.133 -19.914 1.00 0.00 C ATOM 1085 C LEU A 73 -1.442 11.271 -19.127 1.00 0.00 C ATOM 1086 O LEU A 73 -1.291 12.153 -18.281 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.568 11.727 -21.313 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.485 11.165 -22.400 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.328 11.952 -23.692 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.193 9.690 -22.633 1.00 0.00 C ATOM 0 H LEU A 73 -4.349 12.472 -19.784 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.980 10.073 -20.002 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.729 12.803 -21.251 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.534 11.576 -21.624 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.517 11.262 -22.063 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.989 11.537 -24.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.588 12.996 -23.516 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.295 11.888 -24.034 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.855 9.306 -23.410 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.156 9.570 -22.947 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.359 9.136 -21.709 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.480 10.381 -19.410 1.00 0.00 N ATOM 1103 CA PRO A 74 0.824 10.384 -18.741 1.00 0.00 C ATOM 1104 C PRO A 74 1.679 11.582 -19.143 1.00 0.00 C ATOM 1105 O PRO A 74 1.868 11.852 -20.329 1.00 0.00 O ATOM 1106 CB PRO A 74 1.472 9.082 -19.219 1.00 0.00 C ATOM 1107 CG PRO A 74 0.818 8.791 -20.526 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.591 9.302 -20.407 1.00 0.00 C ATOM 0 HA PRO A 74 0.725 10.455 -17.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.550 9.195 -19.332 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.309 8.274 -18.506 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.344 9.284 -21.344 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.829 7.722 -20.738 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.966 9.673 -21.361 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.276 8.520 -20.078 1.00 0.00 H new ATOM 1116 N SER A 75 2.192 12.297 -18.147 1.00 0.00 N ATOM 1117 CA SER A 75 3.024 13.469 -18.397 1.00 0.00 C ATOM 1118 C SER A 75 4.490 13.073 -18.542 1.00 0.00 C ATOM 1119 O SER A 75 5.219 13.635 -19.358 1.00 0.00 O ATOM 1120 CB SER A 75 2.868 14.483 -17.262 1.00 0.00 C ATOM 1121 OG SER A 75 2.960 13.851 -15.997 1.00 0.00 O ATOM 0 H SER A 75 2.046 12.086 -17.160 1.00 0.00 H new ATOM 0 HA SER A 75 2.695 13.926 -19.330 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.639 15.249 -17.346 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.906 14.988 -17.351 1.00 0.00 H new ATOM 0 HG SER A 75 2.859 14.521 -15.289 1.00 0.00 H new ATOM 1127 N GLY A 76 4.916 12.099 -17.743 1.00 0.00 N ATOM 1128 CA GLY A 76 6.293 11.644 -17.797 1.00 0.00 C ATOM 1129 C GLY A 76 6.405 10.132 -17.766 1.00 0.00 C ATOM 1130 O GLY A 76 5.406 9.415 -17.714 1.00 0.00 O ATOM 0 H GLY A 76 4.332 11.617 -17.059 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.762 12.022 -18.706 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.844 12.064 -16.956 1.00 0.00 H new ATOM 1134 N PRO A 77 7.647 9.627 -17.799 1.00 0.00 N ATOM 1135 CA PRO A 77 7.916 8.186 -17.776 1.00 0.00 C ATOM 1136 C PRO A 77 7.590 7.556 -16.426 1.00 0.00 C ATOM 1137 O PRO A 77 8.243 7.844 -15.423 1.00 0.00 O ATOM 1138 CB PRO A 77 9.418 8.101 -18.057 1.00 0.00 C ATOM 1139 CG PRO A 77 9.964 9.409 -17.599 1.00 0.00 C ATOM 1140 CD PRO A 77 8.884 10.423 -17.860 1.00 0.00 C ATOM 0 HA PRO A 77 7.302 7.646 -18.497 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.875 7.271 -17.518 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.614 7.940 -19.117 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.220 9.376 -16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.876 9.662 -18.140 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.889 11.216 -17.113 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.007 10.900 -18.832 1.00 0.00 H new ATOM 1148 N SER A 78 6.577 6.696 -16.408 1.00 0.00 N ATOM 1149 CA SER A 78 6.162 6.028 -15.180 1.00 0.00 C ATOM 1150 C SER A 78 6.231 4.512 -15.336 1.00 0.00 C ATOM 1151 O SER A 78 5.422 3.781 -14.765 1.00 0.00 O ATOM 1152 CB SER A 78 4.742 6.450 -14.800 1.00 0.00 C ATOM 1153 OG SER A 78 4.457 7.758 -15.263 1.00 0.00 O ATOM 0 H SER A 78 6.028 6.445 -17.230 1.00 0.00 H new ATOM 0 HA SER A 78 6.846 6.325 -14.385 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.025 5.747 -15.223 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.625 6.411 -13.717 1.00 0.00 H new ATOM 0 HG SER A 78 3.543 8.003 -15.009 1.00 0.00 H new ATOM 1159 N SER A 79 7.202 4.047 -16.115 1.00 0.00 N ATOM 1160 CA SER A 79 7.375 2.618 -16.351 1.00 0.00 C ATOM 1161 C SER A 79 6.113 2.011 -16.956 1.00 0.00 C ATOM 1162 O SER A 79 5.156 2.719 -17.264 1.00 0.00 O ATOM 1163 CB SER A 79 7.724 1.903 -15.044 1.00 0.00 C ATOM 1164 OG SER A 79 8.985 2.323 -14.554 1.00 0.00 O ATOM 0 H SER A 79 7.881 4.639 -16.594 1.00 0.00 H new ATOM 0 HA SER A 79 8.194 2.487 -17.058 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.955 2.105 -14.299 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.734 0.825 -15.207 1.00 0.00 H new ATOM 0 HG SER A 79 9.184 1.853 -13.717 1.00 0.00 H new ATOM 1170 N GLY A 80 6.120 0.692 -17.123 1.00 0.00 N ATOM 1171 CA GLY A 80 4.972 0.010 -17.690 1.00 0.00 C ATOM 1172 C GLY A 80 4.831 -1.411 -17.180 1.00 0.00 C ATOM 1173 O GLY A 80 5.434 -1.778 -16.171 1.00 0.00 O ATOM 0 H GLY A 80 6.901 0.084 -16.876 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.067 0.569 -17.452 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.062 -0.004 -18.776 1.00 0.00 H new TER 1177 GLY A 80