USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 26 THR OG1 : rot 176:sc= -3.26! USER MOD Set 1.2: A 29 GLN : amide:sc= -2.05! C(o=-5.3!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0228 (180deg=-0.404) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 6 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.47) USER MOD Single : A 7 MET CE :methyl 156:sc= -0.184 (180deg=-1.36!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.512 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.9) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.291 USER MOD Single : A 46 SER OG : rot -85:sc= -0.343 USER MOD Single : A 48 GLN : amide:sc= -12! C(o=-12!,f=-11!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.172 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.569 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.361) USER MOD Single : A 91 SER OG : rot 63:sc= 0.118 USER MOD Single : A 94 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.544 -4.648 -4.198 1.00 0.00 N ATOM 2 CA MET A 1 -26.360 -5.109 -4.976 1.00 0.00 C ATOM 3 C MET A 1 -25.774 -3.934 -5.755 1.00 0.00 C ATOM 4 O MET A 1 -25.705 -3.965 -6.984 1.00 0.00 O ATOM 5 CB MET A 1 -26.789 -6.215 -5.947 1.00 0.00 C ATOM 6 CG MET A 1 -27.544 -7.308 -5.183 1.00 0.00 C ATOM 7 SD MET A 1 -27.606 -8.815 -6.188 1.00 0.00 S ATOM 8 CE MET A 1 -28.272 -9.915 -4.911 1.00 0.00 C ATOM 0 H1 MET A 1 -27.686 -5.273 -3.379 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.385 -3.675 -3.868 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.389 -4.674 -4.804 1.00 0.00 H new ATOM 0 HA MET A 1 -25.604 -5.501 -4.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.424 -5.799 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.914 -6.640 -6.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.049 -7.511 -4.234 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.554 -6.972 -4.950 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.393 -10.918 -5.321 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.585 -9.949 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.240 -9.541 -4.577 1.00 0.00 H new ATOM 18 N VAL A 2 -25.351 -2.899 -5.033 1.00 0.00 N ATOM 19 CA VAL A 2 -24.773 -1.722 -5.673 1.00 0.00 C ATOM 20 C VAL A 2 -23.345 -2.005 -6.130 1.00 0.00 C ATOM 21 O VAL A 2 -22.915 -1.531 -7.180 1.00 0.00 O ATOM 22 CB VAL A 2 -24.769 -0.539 -4.701 1.00 0.00 C ATOM 23 CG1 VAL A 2 -24.401 0.738 -5.456 1.00 0.00 C ATOM 24 CG2 VAL A 2 -26.159 -0.380 -4.080 1.00 0.00 C ATOM 0 H VAL A 2 -25.397 -2.852 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 2 -25.382 -1.475 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 2 -24.039 -0.721 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.398 1.581 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -23.411 0.627 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -25.132 0.918 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -26.154 0.462 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -26.891 -0.199 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -26.423 -1.290 -3.541 1.00 0.00 H new ATOM 34 N THR A 3 -22.617 -2.778 -5.331 1.00 0.00 N ATOM 35 CA THR A 3 -21.236 -3.119 -5.660 1.00 0.00 C ATOM 36 C THR A 3 -20.829 -4.419 -4.977 1.00 0.00 C ATOM 37 O THR A 3 -20.072 -4.412 -4.006 1.00 0.00 O ATOM 38 CB THR A 3 -20.293 -1.995 -5.218 1.00 0.00 C ATOM 39 OG1 THR A 3 -20.801 -0.746 -5.669 1.00 0.00 O ATOM 40 CG2 THR A 3 -18.903 -2.232 -5.814 1.00 0.00 C ATOM 0 H THR A 3 -22.957 -3.178 -4.456 1.00 0.00 H new ATOM 0 HA THR A 3 -21.165 -3.247 -6.740 1.00 0.00 H new ATOM 0 HB THR A 3 -20.222 -1.984 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 3 -20.199 -0.026 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.231 -1.433 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.516 -3.189 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.971 -2.243 -6.902 1.00 0.00 H new ATOM 48 N PRO A 4 -21.313 -5.528 -5.469 1.00 0.00 N ATOM 49 CA PRO A 4 -20.988 -6.867 -4.898 1.00 0.00 C ATOM 50 C PRO A 4 -19.482 -7.059 -4.739 1.00 0.00 C ATOM 51 O PRO A 4 -18.972 -7.191 -3.625 1.00 0.00 O ATOM 52 CB PRO A 4 -21.575 -7.851 -5.923 1.00 0.00 C ATOM 53 CG PRO A 4 -22.672 -7.092 -6.599 1.00 0.00 C ATOM 54 CD PRO A 4 -22.221 -5.630 -6.623 1.00 0.00 C ATOM 0 HA PRO A 4 -21.397 -7.007 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.819 -8.174 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.957 -8.748 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.839 -7.465 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -23.612 -7.201 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.714 -5.382 -7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.066 -4.948 -6.529 1.00 0.00 H new ATOM 62 N VAL A 5 -18.778 -7.066 -5.866 1.00 0.00 N ATOM 63 CA VAL A 5 -17.331 -7.236 -5.859 1.00 0.00 C ATOM 64 C VAL A 5 -16.777 -7.048 -7.267 1.00 0.00 C ATOM 65 O VAL A 5 -17.431 -7.396 -8.250 1.00 0.00 O ATOM 66 CB VAL A 5 -16.969 -8.630 -5.344 1.00 0.00 C ATOM 67 CG1 VAL A 5 -17.559 -9.691 -6.276 1.00 0.00 C ATOM 68 CG2 VAL A 5 -15.447 -8.775 -5.300 1.00 0.00 C ATOM 0 H VAL A 5 -19.186 -6.956 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.893 -6.487 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.377 -8.765 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -17.300 -10.684 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.644 -9.587 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -17.154 -9.560 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -15.187 -9.768 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.040 -8.640 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -15.029 -8.021 -4.633 1.00 0.00 H new ATOM 78 N ASN A 6 -15.570 -6.490 -7.365 1.00 0.00 N ATOM 79 CA ASN A 6 -14.941 -6.256 -8.666 1.00 0.00 C ATOM 80 C ASN A 6 -13.448 -6.566 -8.605 1.00 0.00 C ATOM 81 O ASN A 6 -13.024 -7.676 -8.925 1.00 0.00 O ATOM 82 CB ASN A 6 -15.148 -4.801 -9.091 1.00 0.00 C ATOM 83 CG ASN A 6 -16.637 -4.475 -9.123 1.00 0.00 C ATOM 84 OD1 ASN A 6 -17.391 -5.087 -9.878 1.00 0.00 O ATOM 85 ND2 ASN A 6 -17.108 -3.540 -8.343 1.00 0.00 N ATOM 0 H ASN A 6 -15.011 -6.193 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.406 -6.917 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.636 -4.134 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.710 -4.635 -10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.103 -3.316 -8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.481 -3.034 -7.718 1.00 0.00 H new ATOM 92 N MET A 7 -12.654 -5.582 -8.191 1.00 0.00 N ATOM 93 CA MET A 7 -11.212 -5.773 -8.094 1.00 0.00 C ATOM 94 C MET A 7 -10.894 -7.083 -7.387 1.00 0.00 C ATOM 95 O MET A 7 -11.660 -7.547 -6.542 1.00 0.00 O ATOM 96 CB MET A 7 -10.576 -4.618 -7.318 1.00 0.00 C ATOM 97 CG MET A 7 -10.570 -3.358 -8.181 1.00 0.00 C ATOM 98 SD MET A 7 -10.091 -1.938 -7.165 1.00 0.00 S ATOM 99 CE MET A 7 -8.446 -2.533 -6.696 1.00 0.00 C ATOM 0 H MET A 7 -12.981 -4.655 -7.920 1.00 0.00 H new ATOM 0 HA MET A 7 -10.805 -5.801 -9.105 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.131 -4.437 -6.397 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.557 -4.878 -7.030 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.875 -3.476 -9.012 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.557 -3.194 -8.612 1.00 0.00 H new ATOM 0 HE1 MET A 7 -7.812 -1.685 -6.439 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.531 -3.197 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 7 -8.004 -3.076 -7.531 1.00 0.00 H new ATOM 109 N SER A 8 -9.752 -7.665 -7.727 1.00 0.00 N ATOM 110 CA SER A 8 -9.333 -8.911 -7.104 1.00 0.00 C ATOM 111 C SER A 8 -9.115 -8.690 -5.614 1.00 0.00 C ATOM 112 O SER A 8 -9.760 -7.836 -5.006 1.00 0.00 O ATOM 113 CB SER A 8 -8.037 -9.405 -7.748 1.00 0.00 C ATOM 114 OG SER A 8 -7.747 -10.715 -7.280 1.00 0.00 O ATOM 0 H SER A 8 -9.105 -7.298 -8.425 1.00 0.00 H new ATOM 0 HA SER A 8 -10.110 -9.662 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.136 -9.408 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.217 -8.730 -7.504 1.00 0.00 H new ATOM 0 HG SER A 8 -6.918 -11.034 -7.693 1.00 0.00 H new ATOM 120 N ARG A 9 -8.190 -9.445 -5.031 1.00 0.00 N ATOM 121 CA ARG A 9 -7.875 -9.309 -3.614 1.00 0.00 C ATOM 122 C ARG A 9 -6.363 -9.349 -3.430 1.00 0.00 C ATOM 123 O ARG A 9 -5.769 -8.391 -2.944 1.00 0.00 O ATOM 124 CB ARG A 9 -8.559 -10.416 -2.795 1.00 0.00 C ATOM 125 CG ARG A 9 -8.252 -11.801 -3.384 1.00 0.00 C ATOM 126 CD ARG A 9 -9.280 -12.818 -2.878 1.00 0.00 C ATOM 127 NE ARG A 9 -9.209 -12.931 -1.422 1.00 0.00 N ATOM 128 CZ ARG A 9 -9.998 -12.214 -0.618 1.00 0.00 C ATOM 129 NH1 ARG A 9 -10.876 -11.386 -1.118 1.00 0.00 N ATOM 130 NH2 ARG A 9 -9.895 -12.346 0.676 1.00 0.00 N ATOM 0 H ARG A 9 -7.646 -10.157 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.252 -8.353 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.218 -10.372 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.637 -10.252 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.276 -11.757 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.247 -12.113 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.282 -12.511 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.095 -13.790 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.537 -13.577 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.962 -11.284 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.475 -10.842 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.214 -12.995 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.496 -11.800 1.294 1.00 0.00 H new ATOM 144 N GLU A 10 -5.740 -10.446 -3.847 1.00 0.00 N ATOM 145 CA GLU A 10 -4.288 -10.578 -3.736 1.00 0.00 C ATOM 146 C GLU A 10 -3.603 -9.254 -4.074 1.00 0.00 C ATOM 147 O GLU A 10 -2.488 -8.982 -3.629 1.00 0.00 O ATOM 148 CB GLU A 10 -3.794 -11.672 -4.683 1.00 0.00 C ATOM 149 CG GLU A 10 -3.916 -11.205 -6.138 1.00 0.00 C ATOM 150 CD GLU A 10 -3.707 -12.383 -7.082 1.00 0.00 C ATOM 151 OE1 GLU A 10 -2.564 -12.664 -7.405 1.00 0.00 O ATOM 152 OE2 GLU A 10 -4.692 -12.991 -7.468 1.00 0.00 O ATOM 0 H GLU A 10 -6.210 -11.251 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.040 -10.848 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.756 -11.917 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.376 -12.582 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.898 -10.764 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.179 -10.429 -6.343 1.00 0.00 H new ATOM 159 N THR A 11 -4.294 -8.438 -4.864 1.00 0.00 N ATOM 160 CA THR A 11 -3.776 -7.137 -5.272 1.00 0.00 C ATOM 161 C THR A 11 -4.019 -6.124 -4.162 1.00 0.00 C ATOM 162 O THR A 11 -3.104 -5.446 -3.703 1.00 0.00 O ATOM 163 CB THR A 11 -4.485 -6.688 -6.558 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.081 -7.522 -7.634 1.00 0.00 O ATOM 165 CG2 THR A 11 -4.129 -5.235 -6.881 1.00 0.00 C ATOM 0 H THR A 11 -5.218 -8.656 -5.236 1.00 0.00 H new ATOM 0 HA THR A 11 -2.705 -7.209 -5.460 1.00 0.00 H new ATOM 0 HB THR A 11 -5.563 -6.765 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.534 -7.238 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.639 -4.930 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.443 -4.592 -6.059 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.051 -5.147 -7.020 1.00 0.00 H new ATOM 173 N ALA A 12 -5.265 -6.049 -3.728 1.00 0.00 N ATOM 174 CA ALA A 12 -5.654 -5.142 -2.663 1.00 0.00 C ATOM 175 C ALA A 12 -5.048 -5.584 -1.338 1.00 0.00 C ATOM 176 O ALA A 12 -5.327 -5.015 -0.284 1.00 0.00 O ATOM 177 CB ALA A 12 -7.165 -5.176 -2.552 1.00 0.00 C ATOM 0 H ALA A 12 -6.030 -6.611 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.299 -4.136 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.487 -4.502 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.606 -4.860 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.490 -6.190 -2.321 1.00 0.00 H new ATOM 183 N LEU A 13 -4.225 -6.618 -1.416 1.00 0.00 N ATOM 184 CA LEU A 13 -3.563 -7.186 -0.243 1.00 0.00 C ATOM 185 C LEU A 13 -2.066 -6.865 -0.272 1.00 0.00 C ATOM 186 O LEU A 13 -1.471 -6.555 0.758 1.00 0.00 O ATOM 187 CB LEU A 13 -3.760 -8.717 -0.260 1.00 0.00 C ATOM 188 CG LEU A 13 -5.045 -9.151 0.485 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.216 -8.184 0.220 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.437 -10.558 0.003 1.00 0.00 C ATOM 0 H LEU A 13 -3.995 -7.089 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.995 -6.758 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.806 -9.064 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.896 -9.198 0.199 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.841 -9.143 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.099 -8.525 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.946 -7.184 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.432 -8.159 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.342 -10.880 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.619 -10.537 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.628 -11.255 0.220 1.00 0.00 H new ATOM 202 N ARG A 14 -1.466 -6.976 -1.456 1.00 0.00 N ATOM 203 CA ARG A 14 -0.026 -6.732 -1.618 1.00 0.00 C ATOM 204 C ARG A 14 0.296 -5.261 -1.901 1.00 0.00 C ATOM 205 O ARG A 14 1.341 -4.761 -1.481 1.00 0.00 O ATOM 206 CB ARG A 14 0.510 -7.600 -2.764 1.00 0.00 C ATOM 207 CG ARG A 14 0.586 -9.075 -2.321 1.00 0.00 C ATOM 208 CD ARG A 14 1.918 -9.358 -1.600 1.00 0.00 C ATOM 209 NE ARG A 14 2.934 -9.777 -2.559 1.00 0.00 N ATOM 210 CZ ARG A 14 2.870 -10.961 -3.158 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.867 -11.763 -2.920 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.807 -11.322 -3.990 1.00 0.00 N ATOM 0 H ARG A 14 -1.949 -7.232 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 14 0.456 -6.994 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.139 -7.507 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.498 -7.251 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.248 -9.304 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.491 -9.726 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.252 -8.464 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.775 -10.135 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 14 3.708 -9.149 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.131 -11.481 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.820 -12.672 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.589 -10.695 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.758 -12.231 -4.450 1.00 0.00 H new ATOM 226 N ILE A 15 -0.584 -4.576 -2.621 1.00 0.00 N ATOM 227 CA ILE A 15 -0.357 -3.174 -2.958 1.00 0.00 C ATOM 228 C ILE A 15 -0.297 -2.322 -1.685 1.00 0.00 C ATOM 229 O ILE A 15 0.088 -1.153 -1.732 1.00 0.00 O ATOM 230 CB ILE A 15 -1.483 -2.688 -3.913 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.114 -2.987 -5.379 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.715 -1.174 -3.781 1.00 0.00 C ATOM 233 CD1 ILE A 15 -0.599 -4.425 -5.539 1.00 0.00 C ATOM 0 H ILE A 15 -1.456 -4.964 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 15 0.601 -3.069 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.391 -3.222 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.987 -2.838 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.351 -2.285 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.508 -0.867 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.004 -0.938 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.797 -0.642 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.347 -4.607 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.288 -4.564 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.373 -5.126 -5.225 1.00 0.00 H new ATOM 245 N ALA A 16 -0.681 -2.905 -0.549 1.00 0.00 N ATOM 246 CA ALA A 16 -0.667 -2.176 0.720 1.00 0.00 C ATOM 247 C ALA A 16 0.616 -2.429 1.498 1.00 0.00 C ATOM 248 O ALA A 16 0.957 -1.671 2.403 1.00 0.00 O ATOM 249 CB ALA A 16 -1.880 -2.560 1.563 1.00 0.00 C ATOM 0 H ALA A 16 -1.003 -3.871 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.712 -1.111 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.858 -2.011 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.793 -2.313 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.857 -3.630 1.767 1.00 0.00 H new ATOM 255 N LEU A 17 1.342 -3.470 1.127 1.00 0.00 N ATOM 256 CA LEU A 17 2.605 -3.760 1.795 1.00 0.00 C ATOM 257 C LEU A 17 3.603 -2.678 1.409 1.00 0.00 C ATOM 258 O LEU A 17 4.507 -2.340 2.173 1.00 0.00 O ATOM 259 CB LEU A 17 3.134 -5.147 1.382 1.00 0.00 C ATOM 260 CG LEU A 17 2.553 -6.238 2.303 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.146 -6.129 3.725 1.00 0.00 C ATOM 262 CD2 LEU A 17 1.024 -6.093 2.361 1.00 0.00 C ATOM 0 H LEU A 17 1.088 -4.119 0.382 1.00 0.00 H new ATOM 0 HA LEU A 17 2.459 -3.771 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.863 -5.353 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.223 -5.159 1.435 1.00 0.00 H new ATOM 0 HG LEU A 17 2.815 -7.216 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.721 -6.909 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.228 -6.249 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.907 -5.152 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.610 -6.863 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.766 -5.109 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.610 -6.203 1.359 1.00 0.00 H new ATOM 274 N ALA A 18 3.410 -2.132 0.216 1.00 0.00 N ATOM 275 CA ALA A 18 4.271 -1.077 -0.284 1.00 0.00 C ATOM 276 C ALA A 18 4.320 0.069 0.717 1.00 0.00 C ATOM 277 O ALA A 18 5.392 0.571 1.042 1.00 0.00 O ATOM 278 CB ALA A 18 3.736 -0.587 -1.629 1.00 0.00 C ATOM 0 H ALA A 18 2.663 -2.405 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 18 5.282 -1.461 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.380 0.206 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.722 -1.415 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.724 -0.203 -1.500 1.00 0.00 H new ATOM 284 N ALA A 19 3.151 0.468 1.216 1.00 0.00 N ATOM 285 CA ALA A 19 3.084 1.549 2.200 1.00 0.00 C ATOM 286 C ALA A 19 4.211 1.385 3.217 1.00 0.00 C ATOM 287 O ALA A 19 4.800 2.363 3.678 1.00 0.00 O ATOM 288 CB ALA A 19 1.732 1.536 2.911 1.00 0.00 C ATOM 0 H ALA A 19 2.249 0.066 0.960 1.00 0.00 H new ATOM 0 HA ALA A 19 3.197 2.504 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.697 2.346 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.935 1.671 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.598 0.582 3.421 1.00 0.00 H new ATOM 294 N ARG A 20 4.512 0.130 3.541 1.00 0.00 N ATOM 295 CA ARG A 20 5.579 -0.175 4.482 1.00 0.00 C ATOM 296 C ARG A 20 6.922 0.247 3.893 1.00 0.00 C ATOM 297 O ARG A 20 7.761 0.831 4.578 1.00 0.00 O ATOM 298 CB ARG A 20 5.588 -1.680 4.776 1.00 0.00 C ATOM 299 CG ARG A 20 6.342 -1.957 6.081 1.00 0.00 C ATOM 300 CD ARG A 20 6.245 -3.447 6.419 1.00 0.00 C ATOM 301 NE ARG A 20 6.635 -3.678 7.806 1.00 0.00 N ATOM 302 CZ ARG A 20 6.236 -4.764 8.462 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.482 -5.645 7.866 1.00 0.00 N ATOM 304 NH2 ARG A 20 6.602 -4.948 9.702 1.00 0.00 N ATOM 0 H ARG A 20 4.032 -0.688 3.166 1.00 0.00 H new ATOM 0 HA ARG A 20 5.411 0.371 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.565 -2.050 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.060 -2.216 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.387 -1.663 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.921 -1.361 6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.226 -3.798 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.889 -4.021 5.753 1.00 0.00 H new ATOM 0 HE ARG A 20 7.224 -2.994 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.198 -5.501 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.176 -6.478 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.193 -4.259 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.296 -5.781 10.206 1.00 0.00 H new ATOM 318 N ALA A 21 7.110 -0.054 2.611 1.00 0.00 N ATOM 319 CA ALA A 21 8.344 0.293 1.915 1.00 0.00 C ATOM 320 C ALA A 21 8.585 1.788 1.963 1.00 0.00 C ATOM 321 O ALA A 21 9.630 2.268 1.529 1.00 0.00 O ATOM 322 CB ALA A 21 8.246 -0.117 0.450 1.00 0.00 C ATOM 0 H ALA A 21 6.423 -0.538 2.033 1.00 0.00 H new ATOM 0 HA ALA A 21 9.163 -0.230 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.171 0.145 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.086 -1.193 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.411 0.404 -0.018 1.00 0.00 H new ATOM 328 N LEU A 22 7.607 2.523 2.477 1.00 0.00 N ATOM 329 CA LEU A 22 7.700 3.976 2.562 1.00 0.00 C ATOM 330 C LEU A 22 7.650 4.413 4.036 1.00 0.00 C ATOM 331 O LEU A 22 6.680 4.103 4.728 1.00 0.00 O ATOM 332 CB LEU A 22 6.514 4.594 1.808 1.00 0.00 C ATOM 333 CG LEU A 22 6.237 3.828 0.503 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.958 4.378 -0.136 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.425 3.979 -0.468 1.00 0.00 C ATOM 0 H LEU A 22 6.737 2.136 2.843 1.00 0.00 H new ATOM 0 HA LEU A 22 8.639 4.311 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.626 4.577 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.725 5.640 1.583 1.00 0.00 H new ATOM 0 HG LEU A 22 6.109 2.768 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.754 3.841 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.122 4.247 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.087 5.438 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.215 3.432 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.574 5.034 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.327 3.578 -0.005 1.00 0.00 H new ATOM 347 N PRO A 23 8.649 5.107 4.543 1.00 0.00 N ATOM 348 CA PRO A 23 8.655 5.550 5.969 1.00 0.00 C ATOM 349 C PRO A 23 7.795 6.793 6.202 1.00 0.00 C ATOM 350 O PRO A 23 8.319 7.884 6.428 1.00 0.00 O ATOM 351 CB PRO A 23 10.135 5.843 6.230 1.00 0.00 C ATOM 352 CG PRO A 23 10.658 6.318 4.914 1.00 0.00 C ATOM 353 CD PRO A 23 9.873 5.549 3.841 1.00 0.00 C ATOM 0 HA PRO A 23 8.231 4.801 6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.260 6.601 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.663 4.951 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.517 7.393 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.727 6.126 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.636 6.184 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.443 4.702 3.460 1.00 0.00 H new ATOM 361 N GLY A 24 6.472 6.622 6.160 1.00 0.00 N ATOM 362 CA GLY A 24 5.552 7.740 6.383 1.00 0.00 C ATOM 363 C GLY A 24 4.360 7.684 5.430 1.00 0.00 C ATOM 364 O GLY A 24 3.208 7.736 5.861 1.00 0.00 O ATOM 0 H GLY A 24 6.016 5.728 5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.197 7.720 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.083 8.682 6.248 1.00 0.00 H new ATOM 368 N THR A 25 4.644 7.593 4.136 1.00 0.00 N ATOM 369 CA THR A 25 3.587 7.550 3.129 1.00 0.00 C ATOM 370 C THR A 25 2.656 6.363 3.347 1.00 0.00 C ATOM 371 O THR A 25 3.104 5.233 3.541 1.00 0.00 O ATOM 372 CB THR A 25 4.199 7.458 1.733 1.00 0.00 C ATOM 373 OG1 THR A 25 5.247 8.409 1.611 1.00 0.00 O ATOM 374 CG2 THR A 25 3.122 7.738 0.688 1.00 0.00 C ATOM 0 H THR A 25 5.591 7.548 3.760 1.00 0.00 H new ATOM 0 HA THR A 25 3.005 8.467 3.222 1.00 0.00 H new ATOM 0 HB THR A 25 4.603 6.458 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.641 8.349 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.557 7.673 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.322 7.004 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.717 8.738 0.842 1.00 0.00 H new ATOM 382 N THR A 26 1.353 6.633 3.304 1.00 0.00 N ATOM 383 CA THR A 26 0.345 5.598 3.487 1.00 0.00 C ATOM 384 C THR A 26 0.029 4.920 2.151 1.00 0.00 C ATOM 385 O THR A 26 0.512 5.336 1.098 1.00 0.00 O ATOM 386 CB THR A 26 -0.931 6.244 4.081 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.679 7.618 4.322 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.308 5.574 5.403 1.00 0.00 C ATOM 0 H THR A 26 0.972 7.565 3.143 1.00 0.00 H new ATOM 0 HA THR A 26 0.721 4.836 4.170 1.00 0.00 H new ATOM 0 HB THR A 26 -1.751 6.120 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.500 8.051 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.207 6.042 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.496 4.514 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.491 5.688 6.115 1.00 0.00 H new ATOM 396 N VAL A 27 -0.784 3.872 2.213 1.00 0.00 N ATOM 397 CA VAL A 27 -1.165 3.131 1.015 1.00 0.00 C ATOM 398 C VAL A 27 -1.914 4.030 0.042 1.00 0.00 C ATOM 399 O VAL A 27 -1.500 4.204 -1.106 1.00 0.00 O ATOM 400 CB VAL A 27 -2.072 1.946 1.382 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.246 1.039 0.160 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.463 1.132 2.528 1.00 0.00 C ATOM 0 H VAL A 27 -1.192 3.516 3.078 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.251 2.766 0.547 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.039 2.336 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.889 0.198 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.700 1.606 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.272 0.666 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.121 0.298 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.489 0.749 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.345 1.769 3.404 1.00 0.00 H new ATOM 412 N GLY A 28 -3.032 4.572 0.500 1.00 0.00 N ATOM 413 CA GLY A 28 -3.858 5.426 -0.341 1.00 0.00 C ATOM 414 C GLY A 28 -3.217 6.785 -0.602 1.00 0.00 C ATOM 415 O GLY A 28 -3.849 7.658 -1.193 1.00 0.00 O ATOM 0 H GLY A 28 -3.388 4.437 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.041 4.926 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.828 5.571 0.135 1.00 0.00 H new ATOM 419 N GLN A 29 -1.968 6.979 -0.171 1.00 0.00 N ATOM 420 CA GLN A 29 -1.298 8.263 -0.393 1.00 0.00 C ATOM 421 C GLN A 29 -0.412 8.184 -1.631 1.00 0.00 C ATOM 422 O GLN A 29 -0.094 9.204 -2.243 1.00 0.00 O ATOM 423 CB GLN A 29 -0.450 8.638 0.833 1.00 0.00 C ATOM 424 CG GLN A 29 -1.352 9.155 1.964 1.00 0.00 C ATOM 425 CD GLN A 29 -0.510 9.866 3.018 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.652 9.517 3.228 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.031 10.850 3.699 1.00 0.00 N ATOM 0 H GLN A 29 -1.411 6.282 0.322 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.056 9.031 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.112 7.769 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.278 9.402 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.099 9.839 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.893 8.324 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.994 11.138 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.475 11.331 4.406 1.00 0.00 H new ATOM 436 N LEU A 30 -0.017 6.967 -1.996 1.00 0.00 N ATOM 437 CA LEU A 30 0.838 6.764 -3.164 1.00 0.00 C ATOM 438 C LEU A 30 -0.003 6.555 -4.424 1.00 0.00 C ATOM 439 O LEU A 30 0.488 6.726 -5.539 1.00 0.00 O ATOM 440 CB LEU A 30 1.749 5.554 -2.908 1.00 0.00 C ATOM 441 CG LEU A 30 2.525 5.160 -4.174 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.386 6.335 -4.644 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.435 3.971 -3.848 1.00 0.00 C ATOM 0 H LEU A 30 -0.273 6.111 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 30 1.450 7.651 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.451 5.788 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.149 4.710 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 30 1.822 4.892 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.933 6.049 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.746 7.189 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.092 6.605 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.991 3.683 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.134 4.253 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.829 3.130 -3.511 1.00 0.00 H new ATOM 455 N LEU A 31 -1.274 6.184 -4.252 1.00 0.00 N ATOM 456 CA LEU A 31 -2.165 5.957 -5.394 1.00 0.00 C ATOM 457 C LEU A 31 -3.070 7.174 -5.616 1.00 0.00 C ATOM 458 O LEU A 31 -3.189 7.678 -6.733 1.00 0.00 O ATOM 459 CB LEU A 31 -3.036 4.711 -5.131 1.00 0.00 C ATOM 460 CG LEU A 31 -2.266 3.430 -5.484 1.00 0.00 C ATOM 461 CD1 LEU A 31 -1.106 3.237 -4.506 1.00 0.00 C ATOM 462 CD2 LEU A 31 -3.208 2.225 -5.386 1.00 0.00 C ATOM 0 H LEU A 31 -1.707 6.035 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.558 5.800 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.336 4.685 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.950 4.768 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.877 3.515 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.563 2.327 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.432 4.091 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.495 3.155 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.662 1.315 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.595 2.148 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.037 2.354 -6.082 1.00 0.00 H new ATOM 474 N GLU A 32 -3.717 7.625 -4.546 1.00 0.00 N ATOM 475 CA GLU A 32 -4.629 8.765 -4.624 1.00 0.00 C ATOM 476 C GLU A 32 -4.042 9.915 -5.444 1.00 0.00 C ATOM 477 O GLU A 32 -4.769 10.823 -5.848 1.00 0.00 O ATOM 478 CB GLU A 32 -4.959 9.260 -3.213 1.00 0.00 C ATOM 479 CG GLU A 32 -5.846 10.507 -3.297 1.00 0.00 C ATOM 480 CD GLU A 32 -6.491 10.778 -1.943 1.00 0.00 C ATOM 481 OE1 GLU A 32 -7.428 10.073 -1.605 1.00 0.00 O ATOM 482 OE2 GLU A 32 -6.039 11.684 -1.263 1.00 0.00 O ATOM 0 H GLU A 32 -3.628 7.220 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.536 8.427 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.469 8.476 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.040 9.491 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.251 11.367 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.617 10.365 -4.055 1.00 0.00 H new ATOM 489 N ILE A 33 -2.737 9.887 -5.684 1.00 0.00 N ATOM 490 CA ILE A 33 -2.103 10.955 -6.453 1.00 0.00 C ATOM 491 C ILE A 33 -2.490 10.862 -7.931 1.00 0.00 C ATOM 492 O ILE A 33 -2.730 11.879 -8.580 1.00 0.00 O ATOM 493 CB ILE A 33 -0.578 10.880 -6.305 1.00 0.00 C ATOM 494 CG1 ILE A 33 -0.128 9.422 -6.409 1.00 0.00 C ATOM 495 CG2 ILE A 33 -0.161 11.441 -4.942 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.390 9.369 -6.586 1.00 0.00 C ATOM 0 H ILE A 33 -2.105 9.152 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.452 11.911 -6.063 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.112 11.467 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.420 8.875 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.620 8.937 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.923 11.385 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.480 12.480 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.629 10.857 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.712 8.330 -6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.669 9.901 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.873 9.838 -5.729 1.00 0.00 H new ATOM 508 N LEU A 34 -2.550 9.640 -8.455 1.00 0.00 N ATOM 509 CA LEU A 34 -2.909 9.426 -9.859 1.00 0.00 C ATOM 510 C LEU A 34 -4.413 9.210 -9.998 1.00 0.00 C ATOM 511 O LEU A 34 -4.901 8.843 -11.068 1.00 0.00 O ATOM 512 CB LEU A 34 -2.163 8.201 -10.409 1.00 0.00 C ATOM 513 CG LEU A 34 -0.644 8.483 -10.472 1.00 0.00 C ATOM 514 CD1 LEU A 34 0.139 7.167 -10.359 1.00 0.00 C ATOM 515 CD2 LEU A 34 -0.289 9.166 -11.804 1.00 0.00 C ATOM 0 H LEU A 34 -2.356 8.785 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.624 10.311 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.353 7.335 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.536 7.955 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.378 9.139 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.208 7.375 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.097 6.684 -9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.138 6.507 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.783 9.361 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.567 8.514 -12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.831 10.108 -11.886 1.00 0.00 H new ATOM 527 N HIS A 35 -5.139 9.437 -8.911 1.00 0.00 N ATOM 528 CA HIS A 35 -6.587 9.262 -8.916 1.00 0.00 C ATOM 529 C HIS A 35 -7.205 9.873 -10.172 1.00 0.00 C ATOM 530 O HIS A 35 -7.578 11.046 -10.184 1.00 0.00 O ATOM 531 CB HIS A 35 -7.190 9.923 -7.677 1.00 0.00 C ATOM 532 CG HIS A 35 -8.612 9.466 -7.496 1.00 0.00 C ATOM 533 ND1 HIS A 35 -9.659 9.993 -8.236 1.00 0.00 N ATOM 534 CD2 HIS A 35 -9.175 8.534 -6.660 1.00 0.00 C ATOM 535 CE1 HIS A 35 -10.788 9.380 -7.833 1.00 0.00 C ATOM 536 NE2 HIS A 35 -10.549 8.482 -6.875 1.00 0.00 N ATOM 0 H HIS A 35 -4.752 9.741 -8.018 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.804 8.194 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.602 9.669 -6.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.157 11.008 -7.780 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -9.587 10.713 -8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.634 7.933 -5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.768 9.589 -8.236 1.00 0.00 H new ATOM 545 N GLN A 36 -7.312 9.068 -11.227 1.00 0.00 N ATOM 546 CA GLN A 36 -7.890 9.539 -12.482 1.00 0.00 C ATOM 547 C GLN A 36 -8.098 8.375 -13.447 1.00 0.00 C ATOM 548 O GLN A 36 -7.240 7.501 -13.578 1.00 0.00 O ATOM 549 CB GLN A 36 -6.972 10.579 -13.127 1.00 0.00 C ATOM 550 CG GLN A 36 -7.664 11.183 -14.350 1.00 0.00 C ATOM 551 CD GLN A 36 -6.771 12.247 -14.979 1.00 0.00 C ATOM 552 OE1 GLN A 36 -6.114 13.005 -14.265 1.00 0.00 O ATOM 553 NE2 GLN A 36 -6.703 12.346 -16.279 1.00 0.00 N ATOM 0 H GLN A 36 -7.009 8.094 -11.238 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.856 9.995 -12.264 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.731 11.362 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.030 10.116 -13.421 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.882 10.402 -15.078 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.618 11.622 -14.059 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.249 11.716 -16.868 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.104 13.053 -16.706 1.00 0.00 H new ATOM 562 N ARG A 37 -9.244 8.372 -14.120 1.00 0.00 N ATOM 563 CA ARG A 37 -9.563 7.314 -15.075 1.00 0.00 C ATOM 564 C ARG A 37 -9.507 5.943 -14.403 1.00 0.00 C ATOM 565 O ARG A 37 -9.075 4.965 -15.012 1.00 0.00 O ATOM 566 CB ARG A 37 -8.576 7.346 -16.256 1.00 0.00 C ATOM 567 CG ARG A 37 -9.205 6.662 -17.506 1.00 0.00 C ATOM 568 CD ARG A 37 -8.169 5.805 -18.265 1.00 0.00 C ATOM 569 NE ARG A 37 -8.234 4.421 -17.800 1.00 0.00 N ATOM 570 CZ ARG A 37 -7.878 3.406 -18.585 1.00 0.00 C ATOM 571 NH1 ARG A 37 -7.433 3.635 -19.788 1.00 0.00 N ATOM 572 NH2 ARG A 37 -7.972 2.180 -18.146 1.00 0.00 N ATOM 0 H ARG A 37 -9.965 9.087 -14.023 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.574 7.486 -15.444 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.313 8.377 -16.491 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.652 6.837 -15.981 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.041 6.034 -17.196 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.608 7.423 -18.174 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.364 5.848 -19.337 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.167 6.205 -18.107 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.559 4.228 -16.853 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.357 4.593 -20.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.161 2.856 -20.388 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.318 2.001 -17.203 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.700 1.401 -18.746 1.00 0.00 H new ATOM 586 N ILE A 38 -9.937 5.878 -13.147 1.00 0.00 N ATOM 587 CA ILE A 38 -9.922 4.618 -12.406 1.00 0.00 C ATOM 588 C ILE A 38 -11.216 3.840 -12.637 1.00 0.00 C ATOM 589 O ILE A 38 -11.200 2.614 -12.750 1.00 0.00 O ATOM 590 CB ILE A 38 -9.733 4.887 -10.910 1.00 0.00 C ATOM 591 CG1 ILE A 38 -10.827 5.837 -10.412 1.00 0.00 C ATOM 592 CG2 ILE A 38 -8.364 5.529 -10.679 1.00 0.00 C ATOM 593 CD1 ILE A 38 -10.556 6.199 -8.949 1.00 0.00 C ATOM 0 H ILE A 38 -10.298 6.675 -12.623 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.088 4.018 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.796 3.945 -10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.848 6.739 -11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.805 5.365 -10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.227 5.721 -9.615 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.582 4.855 -11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.306 6.469 -11.228 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.333 6.875 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.557 5.293 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.585 6.688 -8.869 1.00 0.00 H new ATOM 605 N GLU A 39 -12.334 4.556 -12.712 1.00 0.00 N ATOM 606 CA GLU A 39 -13.625 3.914 -12.937 1.00 0.00 C ATOM 607 C GLU A 39 -13.529 2.903 -14.077 1.00 0.00 C ATOM 608 O GLU A 39 -13.568 3.270 -15.251 1.00 0.00 O ATOM 609 CB GLU A 39 -14.677 4.972 -13.276 1.00 0.00 C ATOM 610 CG GLU A 39 -16.032 4.300 -13.515 1.00 0.00 C ATOM 611 CD GLU A 39 -17.118 5.358 -13.673 1.00 0.00 C ATOM 612 OE1 GLU A 39 -16.993 6.179 -14.570 1.00 0.00 O ATOM 613 OE2 GLU A 39 -18.059 5.335 -12.895 1.00 0.00 O ATOM 0 H GLU A 39 -12.373 5.571 -12.621 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.916 3.389 -12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.757 5.692 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.375 5.527 -14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.986 3.678 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.273 3.642 -12.680 1.00 0.00 H new ATOM 620 N GLY A 40 -13.400 1.627 -13.721 1.00 0.00 N ATOM 621 CA GLY A 40 -13.295 0.565 -14.722 1.00 0.00 C ATOM 622 C GLY A 40 -12.520 -0.632 -14.171 1.00 0.00 C ATOM 623 O GLY A 40 -12.072 -0.617 -13.023 1.00 0.00 O ATOM 0 H GLY A 40 -13.366 1.303 -12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.292 0.248 -15.027 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.796 0.947 -15.612 1.00 0.00 H new ATOM 627 N PRO A 41 -12.354 -1.657 -14.966 1.00 0.00 N ATOM 628 CA PRO A 41 -11.614 -2.887 -14.553 1.00 0.00 C ATOM 629 C PRO A 41 -10.104 -2.645 -14.495 1.00 0.00 C ATOM 630 O PRO A 41 -9.314 -3.442 -15.001 1.00 0.00 O ATOM 631 CB PRO A 41 -11.988 -3.905 -15.643 1.00 0.00 C ATOM 632 CG PRO A 41 -12.261 -3.077 -16.858 1.00 0.00 C ATOM 633 CD PRO A 41 -12.852 -1.758 -16.350 1.00 0.00 C ATOM 0 HA PRO A 41 -11.876 -3.225 -13.551 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.177 -4.612 -15.820 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.863 -4.488 -15.357 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.346 -2.902 -17.424 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.957 -3.584 -17.527 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.523 -0.913 -16.956 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.941 -1.769 -16.383 1.00 0.00 H new ATOM 641 N LEU A 42 -9.715 -1.532 -13.874 1.00 0.00 N ATOM 642 CA LEU A 42 -8.300 -1.183 -13.753 1.00 0.00 C ATOM 643 C LEU A 42 -7.653 -1.953 -12.603 1.00 0.00 C ATOM 644 O LEU A 42 -8.078 -1.848 -11.452 1.00 0.00 O ATOM 645 CB LEU A 42 -8.147 0.329 -13.514 1.00 0.00 C ATOM 646 CG LEU A 42 -8.333 1.095 -14.831 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.791 1.000 -15.289 1.00 0.00 C ATOM 648 CD2 LEU A 42 -7.968 2.566 -14.620 1.00 0.00 C ATOM 0 H LEU A 42 -10.355 -0.861 -13.450 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.799 -1.454 -14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.882 0.665 -12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.162 0.541 -13.097 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.686 0.658 -15.592 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.915 1.546 -16.224 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.057 -0.046 -15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.440 1.432 -14.528 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.100 3.111 -15.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.615 2.995 -13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.929 2.641 -14.300 1.00 0.00 H new ATOM 660 N THR A 43 -6.616 -2.722 -12.927 1.00 0.00 N ATOM 661 CA THR A 43 -5.889 -3.516 -11.931 1.00 0.00 C ATOM 662 C THR A 43 -4.484 -2.958 -11.765 1.00 0.00 C ATOM 663 O THR A 43 -4.136 -1.946 -12.371 1.00 0.00 O ATOM 664 CB THR A 43 -5.804 -4.985 -12.389 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.568 -5.204 -13.056 1.00 0.00 O ATOM 666 CG2 THR A 43 -6.957 -5.299 -13.346 1.00 0.00 C ATOM 0 H THR A 43 -6.256 -2.814 -13.877 1.00 0.00 H new ATOM 0 HA THR A 43 -6.419 -3.467 -10.980 1.00 0.00 H new ATOM 0 HB THR A 43 -5.871 -5.635 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.514 -6.139 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.891 -6.339 -13.666 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.907 -5.135 -12.837 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.895 -4.647 -14.217 1.00 0.00 H new ATOM 674 N GLU A 44 -3.672 -3.626 -10.955 1.00 0.00 N ATOM 675 CA GLU A 44 -2.303 -3.176 -10.748 1.00 0.00 C ATOM 676 C GLU A 44 -1.641 -2.920 -12.098 1.00 0.00 C ATOM 677 O GLU A 44 -0.863 -1.980 -12.254 1.00 0.00 O ATOM 678 CB GLU A 44 -1.517 -4.235 -9.976 1.00 0.00 C ATOM 679 CG GLU A 44 -1.577 -5.565 -10.728 1.00 0.00 C ATOM 680 CD GLU A 44 -0.944 -6.665 -9.883 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.483 -6.357 -8.796 1.00 0.00 O ATOM 682 OE2 GLU A 44 -0.929 -7.797 -10.335 1.00 0.00 O ATOM 0 H GLU A 44 -3.932 -4.467 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.312 -2.252 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.481 -3.919 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.931 -4.352 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.613 -5.819 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.054 -5.479 -11.680 1.00 0.00 H new ATOM 689 N GLU A 45 -1.976 -3.760 -13.072 1.00 0.00 N ATOM 690 CA GLU A 45 -1.429 -3.623 -14.416 1.00 0.00 C ATOM 691 C GLU A 45 -1.736 -2.238 -14.975 1.00 0.00 C ATOM 692 O GLU A 45 -0.926 -1.652 -15.692 1.00 0.00 O ATOM 693 CB GLU A 45 -2.037 -4.686 -15.333 1.00 0.00 C ATOM 694 CG GLU A 45 -1.814 -6.071 -14.725 1.00 0.00 C ATOM 695 CD GLU A 45 -2.565 -7.122 -15.535 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.078 -6.775 -16.587 1.00 0.00 O ATOM 697 OE2 GLU A 45 -2.617 -8.257 -15.093 1.00 0.00 O ATOM 0 H GLU A 45 -2.622 -4.541 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.348 -3.756 -14.367 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.103 -4.502 -15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.581 -4.633 -16.321 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.749 -6.304 -14.710 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.158 -6.083 -13.691 1.00 0.00 H new ATOM 704 N SER A 46 -2.918 -1.729 -14.646 1.00 0.00 N ATOM 705 CA SER A 46 -3.341 -0.415 -15.124 1.00 0.00 C ATOM 706 C SER A 46 -2.462 0.704 -14.561 1.00 0.00 C ATOM 707 O SER A 46 -2.294 1.745 -15.197 1.00 0.00 O ATOM 708 CB SER A 46 -4.791 -0.166 -14.722 1.00 0.00 C ATOM 709 OG SER A 46 -4.840 0.220 -13.356 1.00 0.00 O ATOM 0 H SER A 46 -3.599 -2.203 -14.053 1.00 0.00 H new ATOM 0 HA SER A 46 -3.243 -0.409 -16.210 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.225 0.614 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.384 -1.067 -14.879 1.00 0.00 H new ATOM 0 HG SER A 46 -4.853 -0.580 -12.790 1.00 0.00 H new ATOM 715 N LEU A 47 -1.916 0.493 -13.367 1.00 0.00 N ATOM 716 CA LEU A 47 -1.072 1.509 -12.734 1.00 0.00 C ATOM 717 C LEU A 47 0.271 1.615 -13.453 1.00 0.00 C ATOM 718 O LEU A 47 0.876 2.686 -13.504 1.00 0.00 O ATOM 719 CB LEU A 47 -0.841 1.157 -11.254 1.00 0.00 C ATOM 720 CG LEU A 47 -2.031 1.623 -10.408 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.324 1.003 -10.948 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.818 1.188 -8.957 1.00 0.00 C ATOM 0 H LEU A 47 -2.039 -0.360 -12.822 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.583 2.470 -12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.707 0.081 -11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.075 1.630 -10.899 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.110 2.709 -10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.168 1.337 -10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.473 1.314 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.253 -0.084 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.662 1.517 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.740 0.102 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.900 1.635 -8.574 1.00 0.00 H new ATOM 734 N GLN A 48 0.731 0.496 -13.995 1.00 0.00 N ATOM 735 CA GLN A 48 2.003 0.462 -14.699 1.00 0.00 C ATOM 736 C GLN A 48 1.962 1.382 -15.912 1.00 0.00 C ATOM 737 O GLN A 48 1.904 0.926 -17.055 1.00 0.00 O ATOM 738 CB GLN A 48 2.309 -0.972 -15.137 1.00 0.00 C ATOM 739 CG GLN A 48 2.800 -1.790 -13.936 1.00 0.00 C ATOM 740 CD GLN A 48 1.693 -1.967 -12.904 1.00 0.00 C ATOM 741 OE1 GLN A 48 1.151 -3.062 -12.762 1.00 0.00 O ATOM 742 NE2 GLN A 48 1.338 -0.961 -12.153 1.00 0.00 N ATOM 0 H GLN A 48 0.242 -0.399 -13.960 1.00 0.00 H new ATOM 0 HA GLN A 48 2.789 0.809 -14.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.415 -1.431 -15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.067 -0.969 -15.920 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.146 -2.767 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.653 -1.291 -13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.788 -0.053 -12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.611 -1.082 -11.448 1.00 0.00 H new ATOM 751 N GLY A 49 1.991 2.681 -15.644 1.00 0.00 N ATOM 752 CA GLY A 49 1.958 3.685 -16.703 1.00 0.00 C ATOM 753 C GLY A 49 2.648 4.966 -16.251 1.00 0.00 C ATOM 754 O GLY A 49 2.546 6.003 -16.906 1.00 0.00 O ATOM 0 H GLY A 49 2.037 3.066 -14.701 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.449 3.296 -17.595 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.925 3.899 -16.976 1.00 0.00 H new ATOM 758 N VAL A 50 3.352 4.885 -15.121 1.00 0.00 N ATOM 759 CA VAL A 50 4.069 6.043 -14.571 1.00 0.00 C ATOM 760 C VAL A 50 5.537 5.673 -14.319 1.00 0.00 C ATOM 761 O VAL A 50 5.927 4.518 -14.490 1.00 0.00 O ATOM 762 CB VAL A 50 3.358 6.514 -13.268 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.958 5.844 -12.022 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.469 8.039 -13.123 1.00 0.00 C ATOM 0 H VAL A 50 3.443 4.033 -14.568 1.00 0.00 H new ATOM 0 HA VAL A 50 4.056 6.869 -15.282 1.00 0.00 H new ATOM 0 HB VAL A 50 2.310 6.224 -13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.437 6.197 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.848 4.763 -12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.016 6.097 -11.947 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.968 8.355 -12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.520 8.325 -13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.998 8.521 -13.980 1.00 0.00 H new ATOM 774 N SER A 51 6.346 6.653 -13.913 1.00 0.00 N ATOM 775 CA SER A 51 7.767 6.419 -13.637 1.00 0.00 C ATOM 776 C SER A 51 8.026 6.618 -12.153 1.00 0.00 C ATOM 777 O SER A 51 7.220 7.241 -11.475 1.00 0.00 O ATOM 778 CB SER A 51 8.627 7.397 -14.440 1.00 0.00 C ATOM 779 OG SER A 51 8.372 7.220 -15.827 1.00 0.00 O ATOM 0 H SER A 51 6.043 7.616 -13.768 1.00 0.00 H new ATOM 0 HA SER A 51 8.026 5.400 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.403 8.422 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.683 7.228 -14.229 1.00 0.00 H new ATOM 0 HG SER A 51 8.921 7.847 -16.343 1.00 0.00 H new ATOM 785 N VAL A 52 9.150 6.100 -11.658 1.00 0.00 N ATOM 786 CA VAL A 52 9.485 6.239 -10.240 1.00 0.00 C ATOM 787 C VAL A 52 9.492 7.717 -9.818 1.00 0.00 C ATOM 788 O VAL A 52 9.002 8.064 -8.744 1.00 0.00 O ATOM 789 CB VAL A 52 10.859 5.587 -9.953 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.504 6.202 -8.697 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.672 4.078 -9.733 1.00 0.00 C ATOM 0 H VAL A 52 9.837 5.586 -12.210 1.00 0.00 H new ATOM 0 HA VAL A 52 8.722 5.727 -9.655 1.00 0.00 H new ATOM 0 HB VAL A 52 11.512 5.766 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.469 5.729 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.648 7.272 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.853 6.041 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.639 3.617 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.007 3.914 -8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.237 3.631 -10.627 1.00 0.00 H new ATOM 801 N THR A 53 10.076 8.572 -10.648 1.00 0.00 N ATOM 802 CA THR A 53 10.168 9.996 -10.328 1.00 0.00 C ATOM 803 C THR A 53 8.792 10.618 -10.084 1.00 0.00 C ATOM 804 O THR A 53 8.688 11.637 -9.417 1.00 0.00 O ATOM 805 CB THR A 53 10.877 10.742 -11.470 1.00 0.00 C ATOM 806 OG1 THR A 53 12.275 10.502 -11.389 1.00 0.00 O ATOM 807 CG2 THR A 53 10.611 12.251 -11.364 1.00 0.00 C ATOM 0 H THR A 53 10.491 8.310 -11.542 1.00 0.00 H new ATOM 0 HA THR A 53 10.743 10.090 -9.407 1.00 0.00 H new ATOM 0 HB THR A 53 10.493 10.381 -12.424 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.731 10.975 -12.117 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.119 12.768 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.539 12.437 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.987 12.621 -10.410 1.00 0.00 H new ATOM 815 N ASP A 54 7.750 10.027 -10.630 1.00 0.00 N ATOM 816 CA ASP A 54 6.410 10.577 -10.456 1.00 0.00 C ATOM 817 C ASP A 54 5.875 10.283 -9.057 1.00 0.00 C ATOM 818 O ASP A 54 5.072 11.041 -8.513 1.00 0.00 O ATOM 819 CB ASP A 54 5.471 9.982 -11.497 1.00 0.00 C ATOM 820 CG ASP A 54 4.119 10.689 -11.446 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.600 10.850 -10.354 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.625 11.057 -12.498 1.00 0.00 O ATOM 0 H ASP A 54 7.796 9.177 -11.192 1.00 0.00 H new ATOM 0 HA ASP A 54 6.465 11.658 -10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.906 10.083 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.340 8.916 -11.313 1.00 0.00 H new ATOM 827 N LEU A 55 6.291 9.156 -8.503 1.00 0.00 N ATOM 828 CA LEU A 55 5.822 8.731 -7.183 1.00 0.00 C ATOM 829 C LEU A 55 6.275 9.676 -6.069 1.00 0.00 C ATOM 830 O LEU A 55 5.449 10.314 -5.421 1.00 0.00 O ATOM 831 CB LEU A 55 6.334 7.319 -6.863 1.00 0.00 C ATOM 832 CG LEU A 55 5.662 6.281 -7.782 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.015 6.571 -9.243 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.157 4.875 -7.403 1.00 0.00 C ATOM 0 H LEU A 55 6.952 8.515 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 55 4.733 8.744 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.416 7.280 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.127 7.078 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 55 4.580 6.337 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.536 5.833 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.665 7.568 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.096 6.519 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.685 4.136 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.239 4.825 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.899 4.666 -6.365 1.00 0.00 H new ATOM 846 N LYS A 56 7.586 9.736 -5.827 1.00 0.00 N ATOM 847 CA LYS A 56 8.125 10.576 -4.752 1.00 0.00 C ATOM 848 C LYS A 56 7.649 12.024 -4.833 1.00 0.00 C ATOM 849 O LYS A 56 7.439 12.670 -3.806 1.00 0.00 O ATOM 850 CB LYS A 56 9.652 10.557 -4.791 1.00 0.00 C ATOM 851 CG LYS A 56 10.204 11.455 -3.683 1.00 0.00 C ATOM 852 CD LYS A 56 11.672 11.108 -3.398 1.00 0.00 C ATOM 853 CE LYS A 56 12.451 11.020 -4.711 1.00 0.00 C ATOM 854 NZ LYS A 56 13.914 11.047 -4.427 1.00 0.00 N ATOM 0 H LYS A 56 8.289 9.219 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 56 7.756 10.157 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.017 9.538 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.005 10.902 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.121 12.501 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.611 11.332 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.115 11.866 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.733 10.160 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.190 10.103 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.181 11.852 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.442 10.987 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.157 11.933 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.165 10.239 -3.822 1.00 0.00 H new ATOM 868 N ILE A 57 7.482 12.532 -6.042 1.00 0.00 N ATOM 869 CA ILE A 57 7.032 13.908 -6.217 1.00 0.00 C ATOM 870 C ILE A 57 5.524 13.979 -6.035 1.00 0.00 C ATOM 871 O ILE A 57 4.972 15.043 -5.782 1.00 0.00 O ATOM 872 CB ILE A 57 7.446 14.428 -7.602 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.608 13.744 -8.692 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.927 14.105 -7.812 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.077 14.185 -10.085 1.00 0.00 C ATOM 0 H ILE A 57 7.648 12.022 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 57 7.502 14.542 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 57 7.281 15.504 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.693 12.661 -8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.555 13.994 -8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.243 14.466 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.519 14.592 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.075 13.027 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.473 13.691 -10.846 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.968 15.265 -10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.124 13.912 -10.220 1.00 0.00 H new ATOM 887 N GLY A 58 4.869 12.831 -6.170 1.00 0.00 N ATOM 888 CA GLY A 58 3.420 12.760 -6.024 1.00 0.00 C ATOM 889 C GLY A 58 2.982 13.042 -4.587 1.00 0.00 C ATOM 890 O GLY A 58 1.955 13.684 -4.365 1.00 0.00 O ATOM 0 H GLY A 58 5.317 11.939 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.951 13.479 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.072 11.771 -6.323 1.00 0.00 H new ATOM 894 N LEU A 59 3.755 12.563 -3.614 1.00 0.00 N ATOM 895 CA LEU A 59 3.408 12.784 -2.212 1.00 0.00 C ATOM 896 C LEU A 59 3.734 14.214 -1.807 1.00 0.00 C ATOM 897 O LEU A 59 2.878 14.924 -1.281 1.00 0.00 O ATOM 898 CB LEU A 59 4.166 11.820 -1.288 1.00 0.00 C ATOM 899 CG LEU A 59 3.831 10.346 -1.601 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.311 10.121 -1.607 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.421 9.933 -2.961 1.00 0.00 C ATOM 0 H LEU A 59 4.611 12.029 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 59 2.338 12.602 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.239 11.980 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.914 12.038 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 59 4.275 9.730 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.099 9.075 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.902 10.374 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.852 10.754 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.174 8.891 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.003 10.564 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.504 10.051 -2.939 1.00 0.00 H new ATOM 913 N ALA A 60 4.967 14.640 -2.057 1.00 0.00 N ATOM 914 CA ALA A 60 5.363 15.996 -1.711 1.00 0.00 C ATOM 915 C ALA A 60 4.733 16.981 -2.684 1.00 0.00 C ATOM 916 O ALA A 60 4.389 18.101 -2.309 1.00 0.00 O ATOM 917 CB ALA A 60 6.887 16.133 -1.752 1.00 0.00 C ATOM 0 H ALA A 60 5.697 14.075 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 60 5.018 16.214 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.168 17.153 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.334 15.440 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.246 15.903 -2.755 1.00 0.00 H new ATOM 923 N GLY A 61 4.574 16.556 -3.939 1.00 0.00 N ATOM 924 CA GLY A 61 3.969 17.428 -4.947 1.00 0.00 C ATOM 925 C GLY A 61 5.004 18.376 -5.546 1.00 0.00 C ATOM 926 O GLY A 61 4.722 19.075 -6.520 1.00 0.00 O ATOM 0 H GLY A 61 4.849 15.634 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.526 16.822 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.161 18.004 -4.496 1.00 0.00 H new ATOM 930 N SER A 62 6.200 18.407 -4.954 1.00 0.00 N ATOM 931 CA SER A 62 7.266 19.291 -5.438 1.00 0.00 C ATOM 932 C SER A 62 8.618 18.591 -5.454 1.00 0.00 C ATOM 933 O SER A 62 9.250 18.412 -4.413 1.00 0.00 O ATOM 934 CB SER A 62 7.349 20.536 -4.553 1.00 0.00 C ATOM 935 OG SER A 62 8.631 21.132 -4.699 1.00 0.00 O ATOM 0 H SER A 62 6.455 17.837 -4.147 1.00 0.00 H new ATOM 0 HA SER A 62 7.020 19.574 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.571 21.247 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.177 20.267 -3.511 1.00 0.00 H new ATOM 0 HG SER A 62 8.687 21.931 -4.134 1.00 0.00 H new ATOM 941 N GLU A 63 9.061 18.213 -6.651 1.00 0.00 N ATOM 942 CA GLU A 63 10.346 17.548 -6.812 1.00 0.00 C ATOM 943 C GLU A 63 11.469 18.399 -6.233 1.00 0.00 C ATOM 944 O GLU A 63 12.631 17.992 -6.234 1.00 0.00 O ATOM 945 CB GLU A 63 10.614 17.271 -8.295 1.00 0.00 C ATOM 946 CG GLU A 63 10.873 18.591 -9.027 1.00 0.00 C ATOM 947 CD GLU A 63 10.815 18.371 -10.535 1.00 0.00 C ATOM 948 OE1 GLU A 63 9.717 18.298 -11.060 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.870 18.279 -11.141 1.00 0.00 O ATOM 0 H GLU A 63 8.548 18.357 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 63 10.313 16.602 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.474 16.610 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.761 16.759 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.131 19.332 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.849 18.987 -8.746 1.00 0.00 H new ATOM 956 N GLU A 64 11.117 19.574 -5.719 1.00 0.00 N ATOM 957 CA GLU A 64 12.102 20.462 -5.117 1.00 0.00 C ATOM 958 C GLU A 64 12.216 20.189 -3.620 1.00 0.00 C ATOM 959 O GLU A 64 13.314 20.197 -3.064 1.00 0.00 O ATOM 960 CB GLU A 64 11.696 21.920 -5.336 1.00 0.00 C ATOM 961 CG GLU A 64 11.477 22.171 -6.829 1.00 0.00 C ATOM 962 CD GLU A 64 10.931 23.578 -7.046 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.747 23.773 -6.828 1.00 0.00 O ATOM 964 OE2 GLU A 64 11.705 24.441 -7.426 1.00 0.00 O ATOM 0 H GLU A 64 10.161 19.931 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 64 13.067 20.279 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.784 22.142 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.471 22.585 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.416 22.049 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.781 21.436 -7.232 1.00 0.00 H new ATOM 971 N ASP A 65 11.073 19.972 -2.961 1.00 0.00 N ATOM 972 CA ASP A 65 11.057 19.729 -1.517 1.00 0.00 C ATOM 973 C ASP A 65 11.120 18.242 -1.173 1.00 0.00 C ATOM 974 O ASP A 65 11.340 17.887 -0.016 1.00 0.00 O ATOM 975 CB ASP A 65 9.782 20.330 -0.917 1.00 0.00 C ATOM 976 CG ASP A 65 9.889 21.852 -0.876 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.840 22.344 -0.292 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.018 22.502 -1.431 1.00 0.00 O ATOM 0 H ASP A 65 10.153 19.960 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 65 11.945 20.202 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.917 20.034 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.626 19.941 0.089 1.00 0.00 H new ATOM 983 N VAL A 66 10.915 17.371 -2.152 1.00 0.00 N ATOM 984 CA VAL A 66 10.950 15.937 -1.878 1.00 0.00 C ATOM 985 C VAL A 66 12.173 15.580 -1.037 1.00 0.00 C ATOM 986 O VAL A 66 12.143 14.629 -0.257 1.00 0.00 O ATOM 987 CB VAL A 66 10.964 15.122 -3.177 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.574 15.111 -3.800 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.931 15.728 -4.186 1.00 0.00 C ATOM 0 H VAL A 66 10.727 17.622 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 66 10.046 15.688 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 66 11.279 14.108 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.593 14.530 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.866 14.662 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.266 16.133 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.924 15.133 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.625 16.749 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.937 15.736 -3.766 1.00 0.00 H new ATOM 999 N ASP A 67 13.244 16.347 -1.198 1.00 0.00 N ATOM 1000 CA ASP A 67 14.462 16.094 -0.441 1.00 0.00 C ATOM 1001 C ASP A 67 14.151 16.025 1.052 1.00 0.00 C ATOM 1002 O ASP A 67 14.815 15.312 1.804 1.00 0.00 O ATOM 1003 CB ASP A 67 15.482 17.204 -0.711 1.00 0.00 C ATOM 1004 CG ASP A 67 15.459 17.583 -2.188 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.403 16.683 -3.011 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.499 18.768 -2.477 1.00 0.00 O ATOM 0 H ASP A 67 13.294 17.140 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 67 14.881 15.138 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.253 18.077 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.480 16.869 -0.428 1.00 0.00 H new ATOM 1011 N MET A 68 13.132 16.774 1.472 1.00 0.00 N ATOM 1012 CA MET A 68 12.730 16.796 2.876 1.00 0.00 C ATOM 1013 C MET A 68 11.798 15.628 3.195 1.00 0.00 C ATOM 1014 O MET A 68 11.790 15.120 4.316 1.00 0.00 O ATOM 1015 CB MET A 68 12.018 18.113 3.193 1.00 0.00 C ATOM 1016 CG MET A 68 12.971 19.286 2.948 1.00 0.00 C ATOM 1017 SD MET A 68 14.177 19.376 4.294 1.00 0.00 S ATOM 1018 CE MET A 68 15.534 20.093 3.333 1.00 0.00 C ATOM 0 H MET A 68 12.573 17.371 0.863 1.00 0.00 H new ATOM 0 HA MET A 68 13.628 16.705 3.488 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.130 18.217 2.569 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.682 18.115 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.483 19.159 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.409 20.218 2.886 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.400 20.238 3.979 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.798 19.420 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.222 21.054 2.924 1.00 0.00 H new ATOM 1028 N LEU A 69 11.014 15.209 2.206 1.00 0.00 N ATOM 1029 CA LEU A 69 10.082 14.101 2.402 1.00 0.00 C ATOM 1030 C LEU A 69 10.798 12.914 3.041 1.00 0.00 C ATOM 1031 O LEU A 69 11.785 12.410 2.505 1.00 0.00 O ATOM 1032 CB LEU A 69 9.476 13.682 1.057 1.00 0.00 C ATOM 1033 CG LEU A 69 8.337 12.670 1.274 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.140 13.340 1.978 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.893 12.117 -0.087 1.00 0.00 C ATOM 0 H LEU A 69 11.004 15.614 1.270 1.00 0.00 H new ATOM 0 HA LEU A 69 9.283 14.429 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.097 14.559 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.247 13.241 0.425 1.00 0.00 H new ATOM 0 HG LEU A 69 8.698 11.859 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.346 12.607 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.457 13.726 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.770 14.161 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.086 11.399 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.542 12.936 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.735 11.623 -0.571 1.00 0.00 H new ATOM 1047 N ASP A 70 10.299 12.477 4.196 1.00 0.00 N ATOM 1048 CA ASP A 70 10.899 11.351 4.912 1.00 0.00 C ATOM 1049 C ASP A 70 11.340 10.259 3.943 1.00 0.00 C ATOM 1050 O ASP A 70 12.237 9.471 4.244 1.00 0.00 O ATOM 1051 CB ASP A 70 9.893 10.772 5.908 1.00 0.00 C ATOM 1052 CG ASP A 70 10.595 9.802 6.853 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.719 9.429 6.560 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.999 9.449 7.857 1.00 0.00 O ATOM 0 H ASP A 70 9.484 12.883 4.655 1.00 0.00 H new ATOM 0 HA ASP A 70 11.776 11.717 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.429 11.577 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.094 10.258 5.374 1.00 0.00 H new ATOM 1059 N THR A 71 10.702 10.219 2.779 1.00 0.00 N ATOM 1060 CA THR A 71 11.033 9.221 1.770 1.00 0.00 C ATOM 1061 C THR A 71 12.469 9.444 1.259 1.00 0.00 C ATOM 1062 O THR A 71 12.776 10.528 0.763 1.00 0.00 O ATOM 1063 CB THR A 71 10.046 9.333 0.600 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.744 9.587 1.108 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.035 8.033 -0.204 1.00 0.00 C ATOM 0 H THR A 71 9.957 10.862 2.512 1.00 0.00 H new ATOM 0 HA THR A 71 10.965 8.227 2.212 1.00 0.00 H new ATOM 0 HB THR A 71 10.354 10.150 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.077 9.349 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.331 8.123 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.033 7.839 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.732 7.209 0.441 1.00 0.00 H new ATOM 1073 N PRO A 72 13.356 8.472 1.362 1.00 0.00 N ATOM 1074 CA PRO A 72 14.761 8.641 0.889 1.00 0.00 C ATOM 1075 C PRO A 72 14.869 8.596 -0.638 1.00 0.00 C ATOM 1076 O PRO A 72 14.839 9.633 -1.300 1.00 0.00 O ATOM 1077 CB PRO A 72 15.509 7.472 1.546 1.00 0.00 C ATOM 1078 CG PRO A 72 14.475 6.405 1.732 1.00 0.00 C ATOM 1079 CD PRO A 72 13.135 7.126 1.932 1.00 0.00 C ATOM 0 HA PRO A 72 15.174 9.613 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.327 7.123 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.945 7.769 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.436 5.747 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.712 5.781 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.324 6.606 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.866 7.180 2.987 1.00 0.00 H new ATOM 1087 N MET A 73 15.001 7.392 -1.188 1.00 0.00 N ATOM 1088 CA MET A 73 15.119 7.239 -2.638 1.00 0.00 C ATOM 1089 C MET A 73 15.066 5.773 -3.056 1.00 0.00 C ATOM 1090 O MET A 73 14.731 5.461 -4.195 1.00 0.00 O ATOM 1091 CB MET A 73 16.442 7.840 -3.116 1.00 0.00 C ATOM 1092 CG MET A 73 17.609 6.921 -2.731 1.00 0.00 C ATOM 1093 SD MET A 73 19.153 7.868 -2.724 1.00 0.00 S ATOM 1094 CE MET A 73 20.112 6.730 -1.693 1.00 0.00 C ATOM 0 H MET A 73 15.029 6.519 -0.662 1.00 0.00 H new ATOM 0 HA MET A 73 14.277 7.760 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.418 7.977 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.584 8.826 -2.673 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.433 6.486 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.681 6.094 -3.437 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.119 7.124 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.628 6.623 -0.722 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.167 5.756 -2.180 1.00 0.00 H new ATOM 1104 N SER A 74 15.406 4.881 -2.137 1.00 0.00 N ATOM 1105 CA SER A 74 15.393 3.451 -2.424 1.00 0.00 C ATOM 1106 C SER A 74 14.020 2.873 -2.109 1.00 0.00 C ATOM 1107 O SER A 74 13.693 1.758 -2.516 1.00 0.00 O ATOM 1108 CB SER A 74 16.450 2.739 -1.581 1.00 0.00 C ATOM 1109 OG SER A 74 16.166 2.939 -0.202 1.00 0.00 O ATOM 0 H SER A 74 15.694 5.120 -1.188 1.00 0.00 H new ATOM 0 HA SER A 74 15.615 3.302 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.458 1.674 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.441 3.124 -1.819 1.00 0.00 H new ATOM 0 HG SER A 74 16.842 2.482 0.341 1.00 0.00 H new ATOM 1115 N ALA A 75 13.220 3.644 -1.378 1.00 0.00 N ATOM 1116 CA ALA A 75 11.885 3.211 -1.008 1.00 0.00 C ATOM 1117 C ALA A 75 10.978 3.183 -2.231 1.00 0.00 C ATOM 1118 O ALA A 75 10.089 2.339 -2.338 1.00 0.00 O ATOM 1119 CB ALA A 75 11.313 4.159 0.039 1.00 0.00 C ATOM 0 H ALA A 75 13.476 4.569 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 75 11.942 2.204 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.311 3.833 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.953 4.155 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.266 5.168 -0.371 1.00 0.00 H new ATOM 1125 N LEU A 76 11.204 4.106 -3.158 1.00 0.00 N ATOM 1126 CA LEU A 76 10.388 4.140 -4.361 1.00 0.00 C ATOM 1127 C LEU A 76 10.636 2.876 -5.170 1.00 0.00 C ATOM 1128 O LEU A 76 9.698 2.209 -5.606 1.00 0.00 O ATOM 1129 CB LEU A 76 10.719 5.352 -5.234 1.00 0.00 C ATOM 1130 CG LEU A 76 10.611 6.670 -4.451 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.264 6.753 -3.731 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.755 6.810 -3.429 1.00 0.00 C ATOM 0 H LEU A 76 11.927 4.823 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 76 9.344 4.209 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.729 5.248 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.042 5.380 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 76 10.689 7.487 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.203 7.692 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.457 6.708 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.171 5.919 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.650 7.753 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.714 5.982 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.712 6.794 -3.950 1.00 0.00 H new ATOM 1144 N LYS A 77 11.911 2.546 -5.356 1.00 0.00 N ATOM 1145 CA LYS A 77 12.271 1.350 -6.103 1.00 0.00 C ATOM 1146 C LYS A 77 11.639 0.135 -5.440 1.00 0.00 C ATOM 1147 O LYS A 77 11.240 -0.819 -6.108 1.00 0.00 O ATOM 1148 CB LYS A 77 13.792 1.175 -6.151 1.00 0.00 C ATOM 1149 CG LYS A 77 14.403 2.209 -7.106 1.00 0.00 C ATOM 1150 CD LYS A 77 14.161 3.624 -6.561 1.00 0.00 C ATOM 1151 CE LYS A 77 15.200 4.599 -7.128 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.283 4.436 -8.608 1.00 0.00 N ATOM 0 H LYS A 77 12.702 3.084 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 77 11.904 1.451 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.213 1.295 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.041 0.167 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.472 2.029 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.960 2.110 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.158 3.956 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.216 3.616 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.925 5.624 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.174 4.412 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.769 5.258 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.814 3.571 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.324 4.366 -9.004 1.00 0.00 H new ATOM 1166 N ASP A 78 11.548 0.185 -4.113 1.00 0.00 N ATOM 1167 CA ASP A 78 10.959 -0.905 -3.354 1.00 0.00 C ATOM 1168 C ASP A 78 9.460 -0.977 -3.627 1.00 0.00 C ATOM 1169 O ASP A 78 8.953 -2.001 -4.084 1.00 0.00 O ATOM 1170 CB ASP A 78 11.209 -0.686 -1.856 1.00 0.00 C ATOM 1171 CG ASP A 78 12.652 -1.038 -1.509 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.510 -0.835 -2.352 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.878 -1.505 -0.405 1.00 0.00 O ATOM 0 H ASP A 78 11.875 0.968 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 78 11.419 -1.845 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.006 0.352 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.526 -1.302 -1.271 1.00 0.00 H new ATOM 1178 N ALA A 79 8.755 0.112 -3.340 1.00 0.00 N ATOM 1179 CA ALA A 79 7.315 0.159 -3.553 1.00 0.00 C ATOM 1180 C ALA A 79 6.965 -0.040 -5.029 1.00 0.00 C ATOM 1181 O ALA A 79 6.309 -1.019 -5.379 1.00 0.00 O ATOM 1182 CB ALA A 79 6.764 1.502 -3.063 1.00 0.00 C ATOM 0 H ALA A 79 9.156 0.970 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 79 6.860 -0.653 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.686 1.534 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.976 1.616 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.237 2.313 -3.616 1.00 0.00 H new ATOM 1188 N VAL A 80 7.385 0.908 -5.879 1.00 0.00 N ATOM 1189 CA VAL A 80 7.099 0.852 -7.322 1.00 0.00 C ATOM 1190 C VAL A 80 7.100 -0.586 -7.842 1.00 0.00 C ATOM 1191 O VAL A 80 6.476 -0.892 -8.853 1.00 0.00 O ATOM 1192 CB VAL A 80 8.119 1.700 -8.089 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.416 0.917 -8.307 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.542 2.102 -9.451 1.00 0.00 C ATOM 0 H VAL A 80 7.925 1.725 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 80 6.100 1.257 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 80 8.335 2.591 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.127 1.536 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.841 0.641 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.204 0.015 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.272 2.705 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.313 1.206 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.631 2.682 -9.303 1.00 0.00 H new ATOM 1204 N ARG A 81 7.801 -1.455 -7.133 1.00 0.00 N ATOM 1205 CA ARG A 81 7.876 -2.859 -7.513 1.00 0.00 C ATOM 1206 C ARG A 81 6.605 -3.573 -7.082 1.00 0.00 C ATOM 1207 O ARG A 81 5.899 -4.172 -7.892 1.00 0.00 O ATOM 1208 CB ARG A 81 9.078 -3.525 -6.839 1.00 0.00 C ATOM 1209 CG ARG A 81 9.307 -4.915 -7.447 1.00 0.00 C ATOM 1210 CD ARG A 81 10.240 -5.730 -6.546 1.00 0.00 C ATOM 1211 NE ARG A 81 11.595 -5.188 -6.600 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.453 -5.566 -7.543 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.089 -6.435 -8.446 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.658 -5.067 -7.567 1.00 0.00 N ATOM 0 H ARG A 81 8.326 -1.215 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 81 7.988 -2.924 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.968 -2.909 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.904 -3.611 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.355 -5.433 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.740 -4.819 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.874 -5.711 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.245 -6.773 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 81 11.889 -4.506 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.146 -6.824 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.747 -6.725 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.942 -4.387 -6.862 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.316 -5.357 -8.290 1.00 0.00 H new ATOM 1228 N ILE A 82 6.345 -3.514 -5.785 1.00 0.00 N ATOM 1229 CA ILE A 82 5.182 -4.162 -5.206 1.00 0.00 C ATOM 1230 C ILE A 82 3.902 -3.859 -5.997 1.00 0.00 C ATOM 1231 O ILE A 82 3.094 -4.762 -6.215 1.00 0.00 O ATOM 1232 CB ILE A 82 5.041 -3.733 -3.735 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.072 -4.490 -2.887 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.634 -4.051 -3.222 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.172 -3.851 -1.502 1.00 0.00 C ATOM 0 H ILE A 82 6.929 -3.020 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 82 5.328 -5.241 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 82 5.212 -2.659 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.782 -5.537 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.045 -4.471 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.548 -3.742 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.898 -3.514 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.452 -5.123 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.905 -4.392 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.482 -2.811 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.200 -3.894 -1.011 1.00 0.00 H new ATOM 1247 N LEU A 83 3.700 -2.611 -6.433 1.00 0.00 N ATOM 1248 CA LEU A 83 2.484 -2.305 -7.192 1.00 0.00 C ATOM 1249 C LEU A 83 2.629 -2.820 -8.615 1.00 0.00 C ATOM 1250 O LEU A 83 1.666 -3.298 -9.211 1.00 0.00 O ATOM 1251 CB LEU A 83 2.135 -0.788 -7.231 1.00 0.00 C ATOM 1252 CG LEU A 83 2.658 -0.009 -5.999 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.616 -0.845 -4.707 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.068 0.487 -6.267 1.00 0.00 C ATOM 0 H LEU A 83 4.334 -1.826 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 83 1.665 -2.804 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.555 -0.348 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.053 -0.672 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 83 1.993 0.840 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.994 -0.250 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.589 -1.145 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.236 -1.733 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.432 1.035 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.722 -0.363 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.063 1.146 -7.135 1.00 0.00 H new ATOM 1266 N TRP A 84 3.837 -2.724 -9.157 1.00 0.00 N ATOM 1267 CA TRP A 84 4.071 -3.198 -10.520 1.00 0.00 C ATOM 1268 C TRP A 84 3.495 -4.609 -10.685 1.00 0.00 C ATOM 1269 O TRP A 84 3.281 -5.076 -11.804 1.00 0.00 O ATOM 1270 CB TRP A 84 5.590 -3.196 -10.826 1.00 0.00 C ATOM 1271 CG TRP A 84 5.922 -2.198 -11.895 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.561 -2.489 -13.049 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.652 -0.767 -11.924 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.701 -1.330 -13.785 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.159 -0.242 -13.136 1.00 0.00 C ATOM 1276 CE3 TRP A 84 5.024 0.118 -11.031 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 6.050 1.110 -13.450 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.911 1.482 -11.345 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.425 1.975 -12.551 1.00 0.00 C ATOM 0 H TRP A 84 4.654 -2.332 -8.689 1.00 0.00 H new ATOM 0 HA TRP A 84 3.573 -2.531 -11.223 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.147 -2.961 -9.919 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.902 -4.191 -11.143 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.906 -3.468 -13.347 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.151 -1.284 -14.699 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.626 -0.253 -10.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.446 1.486 -14.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.425 2.154 -10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.338 3.026 -12.785 1.00 0.00 H new ATOM 1290 N GLY A 85 3.253 -5.276 -9.560 1.00 0.00 N ATOM 1291 CA GLY A 85 2.707 -6.630 -9.581 1.00 0.00 C ATOM 1292 C GLY A 85 3.820 -7.659 -9.744 1.00 0.00 C ATOM 1293 O GLY A 85 3.570 -8.804 -10.122 1.00 0.00 O ATOM 0 H GLY A 85 3.425 -4.903 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.161 -6.821 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.993 -6.727 -10.399 1.00 0.00 H new ATOM 1297 N GLU A 86 5.055 -7.243 -9.454 1.00 0.00 N ATOM 1298 CA GLU A 86 6.217 -8.131 -9.569 1.00 0.00 C ATOM 1299 C GLU A 86 6.794 -8.425 -8.186 1.00 0.00 C ATOM 1300 O GLU A 86 7.811 -9.107 -8.062 1.00 0.00 O ATOM 1301 CB GLU A 86 7.286 -7.468 -10.449 1.00 0.00 C ATOM 1302 CG GLU A 86 8.271 -8.520 -10.975 1.00 0.00 C ATOM 1303 CD GLU A 86 9.206 -7.887 -11.997 1.00 0.00 C ATOM 1304 OE1 GLU A 86 9.657 -6.781 -11.753 1.00 0.00 O ATOM 1305 OE2 GLU A 86 9.459 -8.517 -13.011 1.00 0.00 O ATOM 0 H GLU A 86 5.277 -6.299 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 86 5.903 -9.070 -10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.811 -6.955 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.822 -6.713 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.848 -8.936 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.725 -9.346 -11.431 1.00 0.00 H new ATOM 1312 N ALA A 87 6.131 -7.897 -7.154 1.00 0.00 N ATOM 1313 CA ALA A 87 6.561 -8.089 -5.765 1.00 0.00 C ATOM 1314 C ALA A 87 7.274 -9.433 -5.568 1.00 0.00 C ATOM 1315 O ALA A 87 8.208 -9.541 -4.774 1.00 0.00 O ATOM 1316 CB ALA A 87 5.334 -8.008 -4.840 1.00 0.00 C ATOM 0 H ALA A 87 5.289 -7.330 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 87 7.273 -7.301 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.648 -8.150 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.863 -7.031 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.621 -8.786 -5.113 1.00 0.00 H new ATOM 1322 N GLU A 88 6.821 -10.449 -6.296 1.00 0.00 N ATOM 1323 CA GLU A 88 7.420 -11.777 -6.192 1.00 0.00 C ATOM 1324 C GLU A 88 8.942 -11.688 -6.255 1.00 0.00 C ATOM 1325 O GLU A 88 9.509 -11.310 -7.280 1.00 0.00 O ATOM 1326 CB GLU A 88 6.908 -12.666 -7.326 1.00 0.00 C ATOM 1327 CG GLU A 88 5.380 -12.694 -7.301 1.00 0.00 C ATOM 1328 CD GLU A 88 4.852 -13.545 -8.452 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.932 -13.093 -9.582 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.376 -14.636 -8.185 1.00 0.00 O ATOM 0 H GLU A 88 6.049 -10.381 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 88 7.136 -12.211 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.260 -12.288 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.303 -13.676 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.032 -13.098 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.989 -11.680 -7.379 1.00 0.00 H new ATOM 1337 N VAL A 89 9.598 -12.039 -5.153 1.00 0.00 N ATOM 1338 CA VAL A 89 11.055 -11.994 -5.094 1.00 0.00 C ATOM 1339 C VAL A 89 11.665 -12.924 -6.140 1.00 0.00 C ATOM 1340 O VAL A 89 12.867 -12.881 -6.396 1.00 0.00 O ATOM 1341 CB VAL A 89 11.537 -12.401 -3.698 1.00 0.00 C ATOM 1342 CG1 VAL A 89 12.996 -11.979 -3.510 1.00 0.00 C ATOM 1343 CG2 VAL A 89 10.671 -11.710 -2.643 1.00 0.00 C ATOM 0 H VAL A 89 9.148 -12.356 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 89 11.376 -10.973 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 89 11.458 -13.483 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.334 -12.271 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.616 -12.468 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.079 -10.898 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.011 -11.997 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.753 -10.629 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.631 -12.011 -2.772 1.00 0.00 H new ATOM 1353 N ASP A 90 10.826 -13.762 -6.743 1.00 0.00 N ATOM 1354 CA ASP A 90 11.297 -14.695 -7.761 1.00 0.00 C ATOM 1355 C ASP A 90 11.884 -13.938 -8.947 1.00 0.00 C ATOM 1356 O ASP A 90 11.275 -13.866 -10.014 1.00 0.00 O ATOM 1357 CB ASP A 90 10.141 -15.577 -8.239 1.00 0.00 C ATOM 1358 CG ASP A 90 10.682 -16.757 -9.039 1.00 0.00 C ATOM 1359 OD1 ASP A 90 11.721 -17.275 -8.665 1.00 0.00 O ATOM 1360 OD2 ASP A 90 10.048 -17.127 -10.014 1.00 0.00 O ATOM 0 H ASP A 90 9.826 -13.814 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 90 12.073 -15.322 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.570 -15.938 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.457 -14.993 -8.855 1.00 0.00 H new ATOM 1365 N SER A 91 13.072 -13.373 -8.754 1.00 0.00 N ATOM 1366 CA SER A 91 13.733 -12.621 -9.814 1.00 0.00 C ATOM 1367 C SER A 91 14.311 -13.566 -10.862 1.00 0.00 C ATOM 1368 O SER A 91 14.041 -14.767 -10.846 1.00 0.00 O ATOM 1369 CB SER A 91 14.852 -11.762 -9.225 1.00 0.00 C ATOM 1370 OG SER A 91 14.294 -10.823 -8.315 1.00 0.00 O ATOM 0 H SER A 91 13.594 -13.421 -7.879 1.00 0.00 H new ATOM 0 HA SER A 91 12.994 -11.977 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.580 -12.393 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.384 -11.242 -10.021 1.00 0.00 H new ATOM 0 HG SER A 91 13.874 -11.300 -7.569 1.00 0.00 H new ATOM 1376 N LEU A 92 15.110 -13.016 -11.771 1.00 0.00 N ATOM 1377 CA LEU A 92 15.724 -13.818 -12.824 1.00 0.00 C ATOM 1378 C LEU A 92 16.947 -14.556 -12.268 1.00 0.00 C ATOM 1379 O LEU A 92 17.602 -14.063 -11.349 1.00 0.00 O ATOM 1380 CB LEU A 92 16.157 -12.910 -13.984 1.00 0.00 C ATOM 1381 CG LEU A 92 14.933 -12.404 -14.773 1.00 0.00 C ATOM 1382 CD1 LEU A 92 14.228 -13.569 -15.494 1.00 0.00 C ATOM 1383 CD2 LEU A 92 13.949 -11.710 -13.820 1.00 0.00 C ATOM 0 H LEU A 92 15.347 -12.024 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 92 14.997 -14.545 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.721 -12.062 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.823 -13.458 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 92 15.276 -11.691 -15.522 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.367 -13.189 -16.044 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.923 -14.041 -16.188 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.894 -14.302 -14.760 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.086 -11.355 -14.383 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.619 -12.417 -13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.442 -10.865 -13.340 1.00 0.00 H new ATOM 1395 N PRO A 93 17.276 -15.715 -12.794 1.00 0.00 N ATOM 1396 CA PRO A 93 18.452 -16.501 -12.315 1.00 0.00 C ATOM 1397 C PRO A 93 19.776 -15.851 -12.721 1.00 0.00 C ATOM 1398 O PRO A 93 19.790 -14.810 -13.379 1.00 0.00 O ATOM 1399 CB PRO A 93 18.270 -17.870 -12.987 1.00 0.00 C ATOM 1400 CG PRO A 93 17.493 -17.582 -14.231 1.00 0.00 C ATOM 1401 CD PRO A 93 16.572 -16.407 -13.893 1.00 0.00 C ATOM 0 HA PRO A 93 18.495 -16.565 -11.228 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.231 -18.329 -13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.735 -18.562 -12.337 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.158 -17.331 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.916 -18.453 -14.541 1.00 0.00 H new ATOM 0 HD2 PRO A 93 16.428 -15.751 -14.752 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.584 -16.749 -13.583 1.00 0.00 H new ATOM 1409 N GLN A 94 20.881 -16.473 -12.324 1.00 0.00 N ATOM 1410 CA GLN A 94 22.201 -15.947 -12.651 1.00 0.00 C ATOM 1411 C GLN A 94 22.519 -16.190 -14.130 1.00 0.00 C ATOM 1412 O GLN A 94 22.043 -17.164 -14.711 1.00 0.00 O ATOM 1413 CB GLN A 94 23.258 -16.636 -11.782 1.00 0.00 C ATOM 1414 CG GLN A 94 23.141 -16.137 -10.341 1.00 0.00 C ATOM 1415 CD GLN A 94 23.697 -14.721 -10.233 1.00 0.00 C ATOM 1416 OE1 GLN A 94 22.959 -13.750 -10.393 1.00 0.00 O ATOM 1417 NE2 GLN A 94 24.964 -14.546 -9.972 1.00 0.00 N ATOM 0 H GLN A 94 20.890 -17.335 -11.779 1.00 0.00 H new ATOM 0 HA GLN A 94 22.210 -14.874 -12.459 1.00 0.00 H new ATOM 0 HB2 GLN A 94 23.123 -17.717 -11.815 1.00 0.00 H new ATOM 0 HB3 GLN A 94 24.255 -16.427 -12.170 1.00 0.00 H new ATOM 0 HG2 GLN A 94 22.098 -16.152 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 94 23.686 -16.803 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.574 -15.353 -9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 94 25.344 -13.602 -9.900 1.00 0.00 H new ATOM 1426 N PRO A 95 23.312 -15.343 -14.753 1.00 0.00 N ATOM 1427 CA PRO A 95 23.679 -15.509 -16.187 1.00 0.00 C ATOM 1428 C PRO A 95 23.889 -16.975 -16.562 1.00 0.00 C ATOM 1429 O PRO A 95 24.298 -17.786 -15.732 1.00 0.00 O ATOM 1430 CB PRO A 95 24.982 -14.715 -16.303 1.00 0.00 C ATOM 1431 CG PRO A 95 24.843 -13.605 -15.306 1.00 0.00 C ATOM 1432 CD PRO A 95 23.945 -14.139 -14.174 1.00 0.00 C ATOM 0 HA PRO A 95 22.897 -15.162 -16.863 1.00 0.00 H new ATOM 0 HB2 PRO A 95 25.847 -15.340 -16.081 1.00 0.00 H new ATOM 0 HB3 PRO A 95 25.120 -14.326 -17.312 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.818 -13.307 -14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 95 24.400 -12.723 -15.768 1.00 0.00 H new ATOM 0 HD2 PRO A 95 24.527 -14.383 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 95 23.200 -13.402 -13.875 1.00 0.00 H new ATOM 1440 N VAL A 96 23.609 -17.307 -17.819 1.00 0.00 N ATOM 1441 CA VAL A 96 23.775 -18.676 -18.289 1.00 0.00 C ATOM 1442 C VAL A 96 25.250 -18.982 -18.536 1.00 0.00 C ATOM 1443 O VAL A 96 25.747 -19.924 -17.941 1.00 0.00 O ATOM 1444 CB VAL A 96 22.987 -18.884 -19.584 1.00 0.00 C ATOM 1445 CG1 VAL A 96 23.057 -20.357 -19.994 1.00 0.00 C ATOM 1446 CG2 VAL A 96 21.526 -18.488 -19.358 1.00 0.00 C ATOM 1447 OXT VAL A 96 25.859 -18.269 -19.315 1.00 0.00 O ATOM 0 H VAL A 96 23.269 -16.653 -18.524 1.00 0.00 H new ATOM 0 HA VAL A 96 23.397 -19.351 -17.521 1.00 0.00 H new ATOM 0 HB VAL A 96 23.415 -18.267 -20.374 1.00 0.00 H new ATOM 0 HG11 VAL A 96 22.496 -20.505 -20.917 1.00 0.00 H new ATOM 0 HG12 VAL A 96 24.097 -20.641 -20.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 22.628 -20.975 -19.205 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.962 -18.635 -20.279 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.099 -19.107 -18.569 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.474 -17.439 -19.065 1.00 0.00 H new TER 1457 VAL A 96