USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 466 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 53 GLN : amide:sc= -0.558 X(o=-1.3,f=-0.84) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.695 X(o=-1.3,f=-1) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.49) USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 15 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 16 GLN : amide:sc= -0.332 K(o=-0.33,f=-3!) USER MOD Single : A 18 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0911 K(o=-0.091,f=-0.62) USER MOD Single : A 26 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.4) USER MOD Single : A 29 THR OG1 : rot -87:sc= 0.0899! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -156:sc= -8.14! (180deg=-11!) USER MOD Single : A 36 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.88) USER MOD Single : A 37 CYS SG : rot -63:sc= -1.77 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HE2:sc= -7.93! C(o=-7.9!,f=-10!) USER MOD Single : A 45 ASN : amide:sc= -0.0995 K(o=-0.099,f=-2!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 59 GLN : amide:sc= -0.308 K(o=-0.31,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.720 14.030 17.720 1.00 0.00 N ATOM 2 CA GLY A 1 11.167 13.281 16.559 1.00 0.00 C ATOM 3 C GLY A 1 10.266 12.070 16.306 1.00 0.00 C ATOM 4 O GLY A 1 9.250 12.180 15.622 1.00 0.00 O ATOM 0 H1 GLY A 1 11.348 14.846 17.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.748 14.365 17.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.744 13.416 18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.166 13.928 15.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.194 12.949 16.710 1.00 0.00 H new ATOM 8 N SER A 2 10.670 10.943 16.874 1.00 0.00 N ATOM 9 CA SER A 2 9.912 9.714 16.719 1.00 0.00 C ATOM 10 C SER A 2 8.723 9.708 17.681 1.00 0.00 C ATOM 11 O SER A 2 8.900 9.818 18.894 1.00 0.00 O ATOM 12 CB SER A 2 10.795 8.488 16.959 1.00 0.00 C ATOM 13 OG SER A 2 10.038 7.281 16.991 1.00 0.00 O ATOM 0 H SER A 2 11.513 10.856 17.442 1.00 0.00 H new ATOM 0 HA SER A 2 9.543 9.667 15.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.547 8.423 16.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.329 8.605 17.902 1.00 0.00 H new ATOM 0 HG SER A 2 10.639 6.522 17.145 1.00 0.00 H new ATOM 19 N SER A 3 7.537 9.578 17.105 1.00 0.00 N ATOM 20 CA SER A 3 6.318 9.556 17.897 1.00 0.00 C ATOM 21 C SER A 3 5.257 8.701 17.201 1.00 0.00 C ATOM 22 O SER A 3 4.655 9.131 16.218 1.00 0.00 O ATOM 23 CB SER A 3 5.789 10.972 18.131 1.00 0.00 C ATOM 24 OG SER A 3 5.204 11.116 19.422 1.00 0.00 O ATOM 0 H SER A 3 7.394 9.487 16.099 1.00 0.00 H new ATOM 0 HA SER A 3 6.548 9.118 18.868 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.605 11.687 18.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.049 11.213 17.368 1.00 0.00 H new ATOM 0 HG SER A 3 4.880 12.034 19.534 1.00 0.00 H new ATOM 30 N GLY A 4 5.061 7.506 17.738 1.00 0.00 N ATOM 31 CA GLY A 4 4.083 6.586 17.181 1.00 0.00 C ATOM 32 C GLY A 4 2.719 7.262 17.032 1.00 0.00 C ATOM 33 O GLY A 4 2.044 7.532 18.024 1.00 0.00 O ATOM 0 H GLY A 4 5.563 7.153 18.553 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.425 6.230 16.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.992 5.712 17.826 1.00 0.00 H new ATOM 37 N SER A 5 2.352 7.514 15.784 1.00 0.00 N ATOM 38 CA SER A 5 1.080 8.153 15.492 1.00 0.00 C ATOM 39 C SER A 5 0.500 7.594 14.191 1.00 0.00 C ATOM 40 O SER A 5 1.202 6.930 13.430 1.00 0.00 O ATOM 41 CB SER A 5 1.236 9.672 15.394 1.00 0.00 C ATOM 42 OG SER A 5 2.041 10.055 14.283 1.00 0.00 O ATOM 0 H SER A 5 2.914 7.287 14.963 1.00 0.00 H new ATOM 0 HA SER A 5 0.393 7.938 16.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.252 10.132 15.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.683 10.051 16.313 1.00 0.00 H new ATOM 0 HG SER A 5 2.115 11.032 14.254 1.00 0.00 H new ATOM 48 N SER A 6 -0.775 7.883 13.977 1.00 0.00 N ATOM 49 CA SER A 6 -1.457 7.418 12.781 1.00 0.00 C ATOM 50 C SER A 6 -2.546 8.414 12.379 1.00 0.00 C ATOM 51 O SER A 6 -3.211 8.993 13.237 1.00 0.00 O ATOM 52 CB SER A 6 -2.061 6.029 12.997 1.00 0.00 C ATOM 53 OG SER A 6 -1.798 5.156 11.903 1.00 0.00 O ATOM 0 H SER A 6 -1.354 8.433 14.611 1.00 0.00 H new ATOM 0 HA SER A 6 -0.726 7.345 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.656 5.596 13.912 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.138 6.120 13.137 1.00 0.00 H new ATOM 0 HG SER A 6 -2.199 4.279 12.080 1.00 0.00 H new ATOM 59 N GLY A 7 -2.695 8.583 11.073 1.00 0.00 N ATOM 60 CA GLY A 7 -3.692 9.500 10.546 1.00 0.00 C ATOM 61 C GLY A 7 -3.583 10.872 11.214 1.00 0.00 C ATOM 62 O GLY A 7 -4.098 11.074 12.313 1.00 0.00 O ATOM 0 H GLY A 7 -2.142 8.101 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.562 9.605 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.689 9.091 10.708 1.00 0.00 H new ATOM 66 N ALA A 8 -2.909 11.779 10.523 1.00 0.00 N ATOM 67 CA ALA A 8 -2.726 13.126 11.036 1.00 0.00 C ATOM 68 C ALA A 8 -2.088 13.998 9.952 1.00 0.00 C ATOM 69 O ALA A 8 -1.405 13.490 9.064 1.00 0.00 O ATOM 70 CB ALA A 8 -1.885 13.077 12.313 1.00 0.00 C ATOM 0 H ALA A 8 -2.483 11.608 9.612 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.687 13.571 11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.748 14.088 12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.395 12.470 13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.912 12.638 12.091 1.00 0.00 H new ATOM 76 N PRO A 9 -2.341 15.329 10.062 1.00 0.00 N ATOM 77 CA PRO A 9 -1.800 16.276 9.102 1.00 0.00 C ATOM 78 C PRO A 9 -0.306 16.505 9.340 1.00 0.00 C ATOM 79 O PRO A 9 0.078 17.428 10.056 1.00 0.00 O ATOM 80 CB PRO A 9 -2.629 17.537 9.282 1.00 0.00 C ATOM 81 CG PRO A 9 -3.291 17.410 10.645 1.00 0.00 C ATOM 82 CD PRO A 9 -3.146 15.967 11.100 1.00 0.00 C ATOM 0 HA PRO A 9 -1.864 15.916 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.002 18.427 9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.375 17.630 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.823 18.085 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.343 17.688 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.658 15.906 12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.118 15.484 11.200 1.00 0.00 H new ATOM 90 N GLU A 10 0.497 15.648 8.726 1.00 0.00 N ATOM 91 CA GLU A 10 1.940 15.744 8.862 1.00 0.00 C ATOM 92 C GLU A 10 2.571 16.169 7.534 1.00 0.00 C ATOM 93 O GLU A 10 1.940 16.068 6.483 1.00 0.00 O ATOM 94 CB GLU A 10 2.534 14.423 9.354 1.00 0.00 C ATOM 95 CG GLU A 10 3.464 14.651 10.547 1.00 0.00 C ATOM 96 CD GLU A 10 2.934 13.946 11.798 1.00 0.00 C ATOM 97 OE1 GLU A 10 2.597 12.749 11.674 1.00 0.00 O ATOM 98 OE2 GLU A 10 2.879 14.621 12.848 1.00 0.00 O ATOM 0 H GLU A 10 0.175 14.883 8.133 1.00 0.00 H new ATOM 0 HA GLU A 10 2.165 16.505 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.731 13.743 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.085 13.944 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.461 14.280 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.559 15.720 10.740 1.00 0.00 H new ATOM 105 N GLU A 11 3.808 16.634 7.625 1.00 0.00 N ATOM 106 CA GLU A 11 4.531 17.074 6.444 1.00 0.00 C ATOM 107 C GLU A 11 5.715 16.144 6.170 1.00 0.00 C ATOM 108 O GLU A 11 6.008 15.255 6.967 1.00 0.00 O ATOM 109 CB GLU A 11 4.997 18.524 6.595 1.00 0.00 C ATOM 110 CG GLU A 11 3.871 19.500 6.248 1.00 0.00 C ATOM 111 CD GLU A 11 3.812 20.650 7.256 1.00 0.00 C ATOM 112 OE1 GLU A 11 4.826 21.374 7.349 1.00 0.00 O ATOM 113 OE2 GLU A 11 2.754 20.778 7.909 1.00 0.00 O ATOM 0 H GLU A 11 4.328 16.716 8.499 1.00 0.00 H new ATOM 0 HA GLU A 11 3.854 17.031 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.332 18.698 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.853 18.704 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.026 19.898 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.918 18.972 6.237 1.00 0.00 H new ATOM 120 N ARG A 12 6.362 16.381 5.038 1.00 0.00 N ATOM 121 CA ARG A 12 7.507 15.576 4.648 1.00 0.00 C ATOM 122 C ARG A 12 7.080 14.126 4.411 1.00 0.00 C ATOM 123 O ARG A 12 5.967 13.738 4.762 1.00 0.00 O ATOM 124 CB ARG A 12 8.596 15.610 5.722 1.00 0.00 C ATOM 125 CG ARG A 12 9.945 16.010 5.123 1.00 0.00 C ATOM 126 CD ARG A 12 11.089 15.700 6.090 1.00 0.00 C ATOM 127 NE ARG A 12 11.791 14.468 5.667 1.00 0.00 N ATOM 128 CZ ARG A 12 12.567 14.382 4.578 1.00 0.00 C ATOM 129 NH1 ARG A 12 12.745 15.456 3.796 1.00 0.00 N ATOM 130 NH2 ARG A 12 13.164 13.223 4.271 1.00 0.00 N ATOM 0 H ARG A 12 6.115 17.119 4.379 1.00 0.00 H new ATOM 0 HA ARG A 12 7.909 15.996 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.318 16.316 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.679 14.630 6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.103 15.477 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.941 17.074 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.789 16.535 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.699 15.577 7.100 1.00 0.00 H new ATOM 0 HE ARG A 12 11.677 13.632 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.290 16.338 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.336 15.391 2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.028 12.406 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.755 13.157 3.442 1.00 0.00 H new ATOM 144 N ASP A 13 7.987 13.365 3.816 1.00 0.00 N ATOM 145 CA ASP A 13 7.718 11.967 3.527 1.00 0.00 C ATOM 146 C ASP A 13 7.073 11.313 4.751 1.00 0.00 C ATOM 147 O ASP A 13 7.103 11.872 5.846 1.00 0.00 O ATOM 148 CB ASP A 13 9.010 11.211 3.213 1.00 0.00 C ATOM 149 CG ASP A 13 9.823 11.776 2.047 1.00 0.00 C ATOM 150 OD1 ASP A 13 9.861 13.020 1.931 1.00 0.00 O ATOM 151 OD2 ASP A 13 10.388 10.951 1.296 1.00 0.00 O ATOM 0 H ASP A 13 8.909 13.691 3.526 1.00 0.00 H new ATOM 0 HA ASP A 13 7.055 11.923 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.637 11.207 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.761 10.173 2.993 1.00 0.00 H new ATOM 156 N LEU A 14 6.504 10.138 4.523 1.00 0.00 N ATOM 157 CA LEU A 14 5.853 9.402 5.594 1.00 0.00 C ATOM 158 C LEU A 14 6.840 9.208 6.747 1.00 0.00 C ATOM 159 O LEU A 14 7.962 9.709 6.700 1.00 0.00 O ATOM 160 CB LEU A 14 5.263 8.094 5.063 1.00 0.00 C ATOM 161 CG LEU A 14 4.081 8.233 4.101 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.990 7.025 3.166 1.00 0.00 C ATOM 163 CD2 LEU A 14 2.777 8.467 4.865 1.00 0.00 C ATOM 0 H LEU A 14 6.480 9.678 3.613 1.00 0.00 H new ATOM 0 HA LEU A 14 5.009 9.969 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.054 7.541 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.945 7.490 5.913 1.00 0.00 H new ATOM 0 HG LEU A 14 4.250 9.111 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.142 7.149 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.908 6.946 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.856 6.118 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.953 8.562 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.589 7.624 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.859 9.382 5.452 1.00 0.00 H new ATOM 175 N THR A 15 6.385 8.480 7.756 1.00 0.00 N ATOM 176 CA THR A 15 7.213 8.213 8.920 1.00 0.00 C ATOM 177 C THR A 15 7.751 6.782 8.875 1.00 0.00 C ATOM 178 O THR A 15 7.116 5.894 8.308 1.00 0.00 O ATOM 179 CB THR A 15 6.383 8.512 10.170 1.00 0.00 C ATOM 180 OG1 THR A 15 5.554 7.363 10.319 1.00 0.00 O ATOM 181 CG2 THR A 15 5.394 9.660 9.955 1.00 0.00 C ATOM 0 H THR A 15 5.453 8.067 7.792 1.00 0.00 H new ATOM 0 HA THR A 15 8.093 8.857 8.936 1.00 0.00 H new ATOM 0 HB THR A 15 7.049 8.756 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.983 7.472 11.108 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.830 9.831 10.872 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.940 10.566 9.690 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.706 9.402 9.150 1.00 0.00 H new ATOM 189 N GLN A 16 8.916 6.602 9.481 1.00 0.00 N ATOM 190 CA GLN A 16 9.546 5.293 9.517 1.00 0.00 C ATOM 191 C GLN A 16 8.493 4.202 9.723 1.00 0.00 C ATOM 192 O GLN A 16 8.322 3.331 8.872 1.00 0.00 O ATOM 193 CB GLN A 16 10.619 5.231 10.606 1.00 0.00 C ATOM 194 CG GLN A 16 11.936 4.691 10.048 1.00 0.00 C ATOM 195 CD GLN A 16 12.476 3.554 10.919 1.00 0.00 C ATOM 196 OE1 GLN A 16 11.807 3.042 11.801 1.00 0.00 O ATOM 197 NE2 GLN A 16 13.721 3.191 10.624 1.00 0.00 N ATOM 0 H GLN A 16 9.440 7.341 9.951 1.00 0.00 H new ATOM 0 HA GLN A 16 10.036 5.121 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.777 6.226 11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.277 4.594 11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.784 4.333 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.670 5.495 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.225 3.662 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.172 2.442 11.149 1.00 0.00 H new ATOM 206 N GLU A 17 7.813 4.286 10.857 1.00 0.00 N ATOM 207 CA GLU A 17 6.782 3.317 11.185 1.00 0.00 C ATOM 208 C GLU A 17 5.896 3.052 9.966 1.00 0.00 C ATOM 209 O GLU A 17 5.781 1.914 9.514 1.00 0.00 O ATOM 210 CB GLU A 17 5.946 3.788 12.378 1.00 0.00 C ATOM 211 CG GLU A 17 5.582 2.615 13.289 1.00 0.00 C ATOM 212 CD GLU A 17 4.206 2.049 12.931 1.00 0.00 C ATOM 213 OE1 GLU A 17 3.211 2.623 13.424 1.00 0.00 O ATOM 214 OE2 GLU A 17 4.181 1.055 12.173 1.00 0.00 O ATOM 0 H GLU A 17 7.956 5.011 11.560 1.00 0.00 H new ATOM 0 HA GLU A 17 7.266 2.382 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.503 4.534 12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.037 4.272 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.336 1.833 13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.585 2.943 14.329 1.00 0.00 H new ATOM 221 N GLN A 18 5.292 4.121 9.469 1.00 0.00 N ATOM 222 CA GLN A 18 4.421 4.018 8.311 1.00 0.00 C ATOM 223 C GLN A 18 5.122 3.257 7.185 1.00 0.00 C ATOM 224 O GLN A 18 4.677 2.182 6.786 1.00 0.00 O ATOM 225 CB GLN A 18 3.969 5.402 7.840 1.00 0.00 C ATOM 226 CG GLN A 18 2.939 6.000 8.800 1.00 0.00 C ATOM 227 CD GLN A 18 1.617 5.233 8.733 1.00 0.00 C ATOM 228 OE1 GLN A 18 1.504 4.099 9.166 1.00 0.00 O ATOM 229 NE2 GLN A 18 0.625 5.915 8.165 1.00 0.00 N ATOM 0 H GLN A 18 5.389 5.063 9.847 1.00 0.00 H new ATOM 0 HA GLN A 18 3.530 3.460 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.831 6.065 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.540 5.327 6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.327 5.974 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.769 7.047 8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.788 6.862 7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.298 5.490 8.072 1.00 0.00 H new ATOM 238 N THR A 19 6.208 3.845 6.703 1.00 0.00 N ATOM 239 CA THR A 19 6.975 3.235 5.630 1.00 0.00 C ATOM 240 C THR A 19 7.116 1.730 5.864 1.00 0.00 C ATOM 241 O THR A 19 6.952 0.936 4.939 1.00 0.00 O ATOM 242 CB THR A 19 8.317 3.964 5.535 1.00 0.00 C ATOM 243 OG1 THR A 19 8.006 5.177 4.854 1.00 0.00 O ATOM 244 CG2 THR A 19 9.303 3.256 4.605 1.00 0.00 C ATOM 0 H THR A 19 6.574 4.737 7.036 1.00 0.00 H new ATOM 0 HA THR A 19 6.465 3.336 4.672 1.00 0.00 H new ATOM 0 HB THR A 19 8.755 4.050 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.820 5.712 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.239 3.814 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.494 2.249 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.880 3.199 3.602 1.00 0.00 H new ATOM 252 N GLU A 20 7.420 1.383 7.106 1.00 0.00 N ATOM 253 CA GLU A 20 7.586 -0.013 7.474 1.00 0.00 C ATOM 254 C GLU A 20 6.324 -0.807 7.127 1.00 0.00 C ATOM 255 O GLU A 20 6.406 -1.886 6.543 1.00 0.00 O ATOM 256 CB GLU A 20 7.931 -0.153 8.958 1.00 0.00 C ATOM 257 CG GLU A 20 6.920 -1.051 9.673 1.00 0.00 C ATOM 258 CD GLU A 20 7.337 -1.297 11.125 1.00 0.00 C ATOM 259 OE1 GLU A 20 8.419 -1.893 11.312 1.00 0.00 O ATOM 260 OE2 GLU A 20 6.563 -0.883 12.015 1.00 0.00 O ATOM 0 H GLU A 20 7.556 2.045 7.870 1.00 0.00 H new ATOM 0 HA GLU A 20 8.419 -0.422 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.932 -0.570 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.944 0.831 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.934 -0.587 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.838 -2.003 9.148 1.00 0.00 H new ATOM 267 N LYS A 21 5.186 -0.241 7.501 1.00 0.00 N ATOM 268 CA LYS A 21 3.909 -0.882 7.238 1.00 0.00 C ATOM 269 C LYS A 21 3.782 -1.157 5.738 1.00 0.00 C ATOM 270 O LYS A 21 3.229 -2.179 5.335 1.00 0.00 O ATOM 271 CB LYS A 21 2.762 -0.046 7.809 1.00 0.00 C ATOM 272 CG LYS A 21 2.241 -0.650 9.115 1.00 0.00 C ATOM 273 CD LYS A 21 0.771 -0.288 9.338 1.00 0.00 C ATOM 274 CE LYS A 21 0.128 -1.219 10.368 1.00 0.00 C ATOM 275 NZ LYS A 21 0.343 -0.702 11.739 1.00 0.00 N ATOM 0 H LYS A 21 5.122 0.655 7.984 1.00 0.00 H new ATOM 0 HA LYS A 21 3.854 -1.845 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.104 0.974 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.952 0.011 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.352 -1.734 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.839 -0.288 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.695 0.745 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.229 -0.354 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.940 -1.308 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.553 -2.219 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.100 -1.345 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.363 -0.640 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.084 0.243 11.825 1.00 0.00 H new ATOM 289 N LEU A 22 4.303 -0.226 4.952 1.00 0.00 N ATOM 290 CA LEU A 22 4.255 -0.356 3.505 1.00 0.00 C ATOM 291 C LEU A 22 5.053 -1.590 3.081 1.00 0.00 C ATOM 292 O LEU A 22 4.519 -2.483 2.424 1.00 0.00 O ATOM 293 CB LEU A 22 4.722 0.938 2.836 1.00 0.00 C ATOM 294 CG LEU A 22 3.645 1.740 2.101 1.00 0.00 C ATOM 295 CD1 LEU A 22 4.240 2.992 1.454 1.00 0.00 C ATOM 296 CD2 LEU A 22 2.908 0.865 1.084 1.00 0.00 C ATOM 0 H LEU A 22 4.760 0.621 5.289 1.00 0.00 H new ATOM 0 HA LEU A 22 3.229 -0.509 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.167 1.578 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.512 0.692 2.126 1.00 0.00 H new ATOM 0 HG LEU A 22 2.909 2.074 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.454 3.544 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.682 3.624 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.009 2.701 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.148 1.459 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.618 0.481 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.432 0.031 1.599 1.00 0.00 H new ATOM 308 N LEU A 23 6.318 -1.601 3.473 1.00 0.00 N ATOM 309 CA LEU A 23 7.195 -2.712 3.142 1.00 0.00 C ATOM 310 C LEU A 23 6.433 -4.027 3.315 1.00 0.00 C ATOM 311 O LEU A 23 6.428 -4.869 2.418 1.00 0.00 O ATOM 312 CB LEU A 23 8.486 -2.637 3.958 1.00 0.00 C ATOM 313 CG LEU A 23 9.058 -1.235 4.183 1.00 0.00 C ATOM 314 CD1 LEU A 23 10.477 -1.306 4.751 1.00 0.00 C ATOM 315 CD2 LEU A 23 8.995 -0.406 2.899 1.00 0.00 C ATOM 0 H LEU A 23 6.757 -0.858 4.017 1.00 0.00 H new ATOM 0 HA LEU A 23 7.502 -2.657 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.304 -3.094 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.244 -3.241 3.459 1.00 0.00 H new ATOM 0 HG LEU A 23 8.440 -0.728 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.860 -0.297 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.461 -1.834 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.122 -1.838 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.407 0.586 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.575 -0.899 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.958 -0.313 2.577 1.00 0.00 H new ATOM 327 N GLN A 24 5.806 -4.162 4.475 1.00 0.00 N ATOM 328 CA GLN A 24 5.043 -5.361 4.777 1.00 0.00 C ATOM 329 C GLN A 24 4.037 -5.645 3.660 1.00 0.00 C ATOM 330 O GLN A 24 4.171 -6.628 2.934 1.00 0.00 O ATOM 331 CB GLN A 24 4.339 -5.236 6.130 1.00 0.00 C ATOM 332 CG GLN A 24 5.138 -5.938 7.231 1.00 0.00 C ATOM 333 CD GLN A 24 4.261 -6.930 7.997 1.00 0.00 C ATOM 334 OE1 GLN A 24 3.960 -8.018 7.535 1.00 0.00 O ATOM 335 NE2 GLN A 24 3.870 -6.495 9.191 1.00 0.00 N ATOM 0 H GLN A 24 5.811 -3.461 5.216 1.00 0.00 H new ATOM 0 HA GLN A 24 5.734 -6.202 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.213 -4.183 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.341 -5.670 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.987 -6.462 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.543 -5.197 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.158 -5.573 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.282 -7.084 9.781 1.00 0.00 H new ATOM 344 N PHE A 25 3.050 -4.767 3.559 1.00 0.00 N ATOM 345 CA PHE A 25 2.021 -4.911 2.543 1.00 0.00 C ATOM 346 C PHE A 25 2.641 -5.183 1.170 1.00 0.00 C ATOM 347 O PHE A 25 2.354 -6.205 0.548 1.00 0.00 O ATOM 348 CB PHE A 25 1.256 -3.587 2.490 1.00 0.00 C ATOM 349 CG PHE A 25 -0.002 -3.630 1.620 1.00 0.00 C ATOM 350 CD1 PHE A 25 -1.097 -4.316 2.042 1.00 0.00 C ATOM 351 CD2 PHE A 25 -0.025 -2.981 0.425 1.00 0.00 C ATOM 352 CE1 PHE A 25 -2.265 -4.356 1.235 1.00 0.00 C ATOM 353 CE2 PHE A 25 -1.193 -3.021 -0.382 1.00 0.00 C ATOM 354 CZ PHE A 25 -2.288 -3.707 0.040 1.00 0.00 C ATOM 0 H PHE A 25 2.941 -3.953 4.164 1.00 0.00 H new ATOM 0 HA PHE A 25 1.368 -5.748 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.975 -3.301 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.920 -2.810 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.079 -4.831 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.845 -2.435 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.135 -4.902 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.211 -2.506 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.176 -3.737 -0.574 1.00 0.00 H new ATOM 364 N GLN A 26 3.478 -4.252 0.738 1.00 0.00 N ATOM 365 CA GLN A 26 4.140 -4.379 -0.549 1.00 0.00 C ATOM 366 C GLN A 26 4.592 -5.823 -0.772 1.00 0.00 C ATOM 367 O GLN A 26 4.203 -6.454 -1.754 1.00 0.00 O ATOM 368 CB GLN A 26 5.320 -3.411 -0.656 1.00 0.00 C ATOM 369 CG GLN A 26 5.254 -2.607 -1.956 1.00 0.00 C ATOM 370 CD GLN A 26 6.645 -2.132 -2.379 1.00 0.00 C ATOM 371 OE1 GLN A 26 7.623 -2.278 -1.664 1.00 0.00 O ATOM 372 NE2 GLN A 26 6.680 -1.558 -3.578 1.00 0.00 N ATOM 0 H GLN A 26 3.713 -3.406 1.257 1.00 0.00 H new ATOM 0 HA GLN A 26 3.427 -4.118 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.316 -2.732 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.256 -3.968 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.820 -3.221 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.597 -1.747 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.824 -1.467 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.563 -1.208 -3.950 1.00 0.00 H new ATOM 381 N ASP A 27 5.408 -6.304 0.154 1.00 0.00 N ATOM 382 CA ASP A 27 5.918 -7.662 0.070 1.00 0.00 C ATOM 383 C ASP A 27 4.744 -8.639 -0.016 1.00 0.00 C ATOM 384 O ASP A 27 4.656 -9.428 -0.955 1.00 0.00 O ATOM 385 CB ASP A 27 6.740 -8.019 1.310 1.00 0.00 C ATOM 386 CG ASP A 27 7.889 -9.000 1.065 1.00 0.00 C ATOM 387 OD1 ASP A 27 8.716 -8.694 0.179 1.00 0.00 O ATOM 388 OD2 ASP A 27 7.914 -10.032 1.768 1.00 0.00 O ATOM 0 H ASP A 27 5.729 -5.777 0.967 1.00 0.00 H new ATOM 0 HA ASP A 27 6.551 -7.730 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.150 -7.101 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.073 -8.445 2.059 1.00 0.00 H new ATOM 393 N LEU A 28 3.870 -8.553 0.976 1.00 0.00 N ATOM 394 CA LEU A 28 2.705 -9.420 1.024 1.00 0.00 C ATOM 395 C LEU A 28 1.978 -9.364 -0.321 1.00 0.00 C ATOM 396 O LEU A 28 1.963 -10.345 -1.063 1.00 0.00 O ATOM 397 CB LEU A 28 1.818 -9.059 2.218 1.00 0.00 C ATOM 398 CG LEU A 28 2.411 -9.334 3.601 1.00 0.00 C ATOM 399 CD1 LEU A 28 2.125 -8.177 4.560 1.00 0.00 C ATOM 400 CD2 LEU A 28 1.915 -10.672 4.154 1.00 0.00 C ATOM 0 H LEU A 28 3.945 -7.896 1.753 1.00 0.00 H new ATOM 0 HA LEU A 28 3.006 -10.456 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.571 -7.999 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.882 -9.610 2.130 1.00 0.00 H new ATOM 0 HG LEU A 28 3.494 -9.408 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.557 -8.398 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.566 -7.261 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.048 -8.046 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.351 -10.843 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.828 -10.651 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.211 -11.476 3.481 1.00 0.00 H new ATOM 412 N THR A 29 1.392 -8.207 -0.594 1.00 0.00 N ATOM 413 CA THR A 29 0.665 -8.011 -1.837 1.00 0.00 C ATOM 414 C THR A 29 1.543 -8.388 -3.032 1.00 0.00 C ATOM 415 O THR A 29 1.307 -9.405 -3.684 1.00 0.00 O ATOM 416 CB THR A 29 0.176 -6.562 -1.874 1.00 0.00 C ATOM 417 OG1 THR A 29 1.341 -5.794 -1.588 1.00 0.00 O ATOM 418 CG2 THR A 29 -0.777 -6.236 -0.723 1.00 0.00 C ATOM 0 H THR A 29 1.406 -7.396 0.024 1.00 0.00 H new ATOM 0 HA THR A 29 -0.206 -8.664 -1.895 1.00 0.00 H new ATOM 0 HB THR A 29 -0.324 -6.373 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.441 -5.700 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.094 -5.196 -0.797 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.650 -6.886 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.267 -6.394 0.227 1.00 0.00 H new ATOM 426 N GLY A 30 2.535 -7.548 -3.285 1.00 0.00 N ATOM 427 CA GLY A 30 3.449 -7.779 -4.391 1.00 0.00 C ATOM 428 C GLY A 30 3.316 -6.684 -5.451 1.00 0.00 C ATOM 429 O GLY A 30 3.828 -6.823 -6.560 1.00 0.00 O ATOM 0 H GLY A 30 2.726 -6.706 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.474 -7.809 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.244 -8.751 -4.840 1.00 0.00 H new ATOM 433 N ILE A 31 2.625 -5.619 -5.072 1.00 0.00 N ATOM 434 CA ILE A 31 2.418 -4.500 -5.975 1.00 0.00 C ATOM 435 C ILE A 31 3.744 -3.766 -6.183 1.00 0.00 C ATOM 436 O ILE A 31 4.583 -3.725 -5.284 1.00 0.00 O ATOM 437 CB ILE A 31 1.290 -3.600 -5.465 1.00 0.00 C ATOM 438 CG1 ILE A 31 -0.062 -4.309 -5.561 1.00 0.00 C ATOM 439 CG2 ILE A 31 1.287 -2.257 -6.197 1.00 0.00 C ATOM 440 CD1 ILE A 31 -1.008 -3.836 -4.455 1.00 0.00 C ATOM 0 H ILE A 31 2.201 -5.507 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 31 2.093 -4.855 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 31 1.469 -3.391 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.510 -4.115 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.082 -5.387 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.476 -1.637 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.239 -1.751 -6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.144 -2.425 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.962 -4.355 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.568 -4.053 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.169 -2.762 -4.549 1.00 0.00 H new ATOM 452 N GLU A 32 3.892 -3.204 -7.374 1.00 0.00 N ATOM 453 CA GLU A 32 5.102 -2.474 -7.712 1.00 0.00 C ATOM 454 C GLU A 32 4.932 -0.988 -7.392 1.00 0.00 C ATOM 455 O GLU A 32 5.700 -0.424 -6.614 1.00 0.00 O ATOM 456 CB GLU A 32 5.475 -2.680 -9.181 1.00 0.00 C ATOM 457 CG GLU A 32 6.200 -4.012 -9.382 1.00 0.00 C ATOM 458 CD GLU A 32 7.130 -3.953 -10.595 1.00 0.00 C ATOM 459 OE1 GLU A 32 8.182 -3.288 -10.471 1.00 0.00 O ATOM 460 OE2 GLU A 32 6.770 -4.574 -11.618 1.00 0.00 O ATOM 0 H GLU A 32 3.194 -3.240 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 32 5.920 -2.865 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.575 -2.656 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.112 -1.861 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.776 -4.255 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.470 -4.810 -9.517 1.00 0.00 H new ATOM 467 N SER A 33 3.920 -0.395 -8.009 1.00 0.00 N ATOM 468 CA SER A 33 3.639 1.015 -7.800 1.00 0.00 C ATOM 469 C SER A 33 3.297 1.268 -6.330 1.00 0.00 C ATOM 470 O SER A 33 2.215 0.909 -5.869 1.00 0.00 O ATOM 471 CB SER A 33 2.495 1.488 -8.699 1.00 0.00 C ATOM 472 OG SER A 33 2.897 2.548 -9.562 1.00 0.00 O ATOM 0 H SER A 33 3.285 -0.866 -8.654 1.00 0.00 H new ATOM 0 HA SER A 33 4.531 1.584 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.134 0.651 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.662 1.821 -8.080 1.00 0.00 H new ATOM 0 HG SER A 33 2.139 2.820 -10.121 1.00 0.00 H new ATOM 478 N MET A 34 4.241 1.886 -5.634 1.00 0.00 N ATOM 479 CA MET A 34 4.054 2.191 -4.226 1.00 0.00 C ATOM 480 C MET A 34 2.706 2.874 -3.988 1.00 0.00 C ATOM 481 O MET A 34 2.013 2.567 -3.019 1.00 0.00 O ATOM 482 CB MET A 34 5.182 3.107 -3.748 1.00 0.00 C ATOM 483 CG MET A 34 5.133 3.292 -2.230 1.00 0.00 C ATOM 484 SD MET A 34 6.346 2.242 -1.447 1.00 0.00 S ATOM 485 CE MET A 34 5.308 0.870 -0.972 1.00 0.00 C ATOM 0 H MET A 34 5.137 2.183 -6.019 1.00 0.00 H new ATOM 0 HA MET A 34 4.071 1.256 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.145 2.684 -4.035 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.100 4.077 -4.239 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.324 4.335 -1.976 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.137 3.051 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.764 0.342 -0.134 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.327 1.241 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.199 0.187 -1.815 1.00 0.00 H new ATOM 495 N ASP A 35 2.375 3.788 -4.888 1.00 0.00 N ATOM 496 CA ASP A 35 1.122 4.518 -4.787 1.00 0.00 C ATOM 497 C ASP A 35 -0.029 3.525 -4.610 1.00 0.00 C ATOM 498 O ASP A 35 -0.857 3.682 -3.715 1.00 0.00 O ATOM 499 CB ASP A 35 0.854 5.330 -6.056 1.00 0.00 C ATOM 500 CG ASP A 35 1.370 6.770 -6.023 1.00 0.00 C ATOM 501 OD1 ASP A 35 2.547 6.942 -5.638 1.00 0.00 O ATOM 502 OD2 ASP A 35 0.577 7.665 -6.385 1.00 0.00 O ATOM 0 H ASP A 35 2.952 4.040 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 35 1.193 5.193 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.311 4.816 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.221 5.349 -6.237 1.00 0.00 H new ATOM 507 N GLN A 36 -0.043 2.524 -5.478 1.00 0.00 N ATOM 508 CA GLN A 36 -1.078 1.506 -5.429 1.00 0.00 C ATOM 509 C GLN A 36 -1.165 0.905 -4.024 1.00 0.00 C ATOM 510 O GLN A 36 -2.259 0.662 -3.516 1.00 0.00 O ATOM 511 CB GLN A 36 -0.828 0.418 -6.476 1.00 0.00 C ATOM 512 CG GLN A 36 -1.468 0.789 -7.815 1.00 0.00 C ATOM 513 CD GLN A 36 -0.790 0.049 -8.970 1.00 0.00 C ATOM 514 OE1 GLN A 36 -0.233 0.641 -9.880 1.00 0.00 O ATOM 515 NE2 GLN A 36 -0.869 -1.276 -8.883 1.00 0.00 N ATOM 0 H GLN A 36 0.646 2.396 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.033 1.976 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.244 0.275 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.235 -0.530 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.530 0.544 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.392 1.865 -7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.350 -1.707 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.448 -1.861 -9.605 1.00 0.00 H new ATOM 524 N CYS A 37 0.001 0.682 -3.437 1.00 0.00 N ATOM 525 CA CYS A 37 0.071 0.114 -2.102 1.00 0.00 C ATOM 526 C CYS A 37 -0.533 1.121 -1.120 1.00 0.00 C ATOM 527 O CYS A 37 -1.644 0.924 -0.629 1.00 0.00 O ATOM 528 CB CYS A 37 1.504 -0.264 -1.722 1.00 0.00 C ATOM 529 SG CYS A 37 1.871 -1.967 -2.282 1.00 0.00 S ATOM 0 H CYS A 37 0.906 0.885 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.500 -0.814 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.206 0.436 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.634 -0.191 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 37 1.091 -2.804 -1.665 1.00 0.00 H new ATOM 535 N ARG A 38 0.224 2.177 -0.864 1.00 0.00 N ATOM 536 CA ARG A 38 -0.222 3.214 0.050 1.00 0.00 C ATOM 537 C ARG A 38 -1.717 3.483 -0.141 1.00 0.00 C ATOM 538 O ARG A 38 -2.423 3.793 0.817 1.00 0.00 O ATOM 539 CB ARG A 38 0.554 4.514 -0.170 1.00 0.00 C ATOM 540 CG ARG A 38 0.444 5.431 1.050 1.00 0.00 C ATOM 541 CD ARG A 38 0.971 6.832 0.731 1.00 0.00 C ATOM 542 NE ARG A 38 0.306 7.832 1.598 1.00 0.00 N ATOM 543 CZ ARG A 38 0.556 9.147 1.555 1.00 0.00 C ATOM 544 NH1 ARG A 38 1.456 9.631 0.688 1.00 0.00 N ATOM 545 NH2 ARG A 38 -0.095 9.980 2.379 1.00 0.00 N ATOM 0 H ARG A 38 1.144 2.337 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.039 2.862 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.602 4.287 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.169 5.027 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.596 5.494 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.008 5.007 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.050 6.867 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.788 7.068 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.385 7.498 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.951 8.998 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.646 10.633 0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.781 9.612 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.095 10.982 2.346 1.00 0.00 H new ATOM 559 N HIS A 39 -2.154 3.354 -1.385 1.00 0.00 N ATOM 560 CA HIS A 39 -3.551 3.579 -1.714 1.00 0.00 C ATOM 561 C HIS A 39 -4.427 2.598 -0.932 1.00 0.00 C ATOM 562 O HIS A 39 -5.221 3.007 -0.086 1.00 0.00 O ATOM 563 CB HIS A 39 -3.773 3.497 -3.226 1.00 0.00 C ATOM 564 CG HIS A 39 -5.200 3.200 -3.621 1.00 0.00 C ATOM 565 ND1 HIS A 39 -6.033 4.148 -4.190 1.00 0.00 N ATOM 566 CD2 HIS A 39 -5.931 2.053 -3.525 1.00 0.00 C ATOM 567 CE1 HIS A 39 -7.210 3.585 -4.421 1.00 0.00 C ATOM 568 NE2 HIS A 39 -7.145 2.287 -4.008 1.00 0.00 N ATOM 0 H HIS A 39 -1.565 3.097 -2.177 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.841 4.587 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.470 4.441 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.124 2.723 -3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.581 1.113 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.070 4.069 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.904 1.608 -4.061 1.00 0.00 H new ATOM 576 N THR A 40 -4.253 1.322 -1.243 1.00 0.00 N ATOM 577 CA THR A 40 -5.017 0.279 -0.580 1.00 0.00 C ATOM 578 C THR A 40 -4.952 0.453 0.938 1.00 0.00 C ATOM 579 O THR A 40 -5.928 0.191 1.639 1.00 0.00 O ATOM 580 CB THR A 40 -4.487 -1.074 -1.060 1.00 0.00 C ATOM 581 OG1 THR A 40 -5.086 -1.247 -2.341 1.00 0.00 O ATOM 582 CG2 THR A 40 -5.029 -2.242 -0.233 1.00 0.00 C ATOM 0 H THR A 40 -3.594 0.987 -1.946 1.00 0.00 H new ATOM 0 HA THR A 40 -6.074 0.340 -0.837 1.00 0.00 H new ATOM 0 HB THR A 40 -3.398 -1.073 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.795 -2.100 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.622 -3.178 -0.615 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.735 -2.117 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.117 -2.264 -0.303 1.00 0.00 H new ATOM 590 N LEU A 41 -3.792 0.894 1.402 1.00 0.00 N ATOM 591 CA LEU A 41 -3.587 1.107 2.824 1.00 0.00 C ATOM 592 C LEU A 41 -4.371 2.343 3.269 1.00 0.00 C ATOM 593 O LEU A 41 -5.359 2.229 3.993 1.00 0.00 O ATOM 594 CB LEU A 41 -2.092 1.178 3.145 1.00 0.00 C ATOM 595 CG LEU A 41 -1.364 -0.163 3.247 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.106 -0.021 2.847 1.00 0.00 C ATOM 597 CD2 LEU A 41 -1.522 -0.769 4.643 1.00 0.00 C ATOM 0 H LEU A 41 -2.984 1.110 0.818 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.973 0.262 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.604 1.777 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.968 1.709 4.089 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.824 -0.855 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.600 -0.989 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.171 0.334 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.596 0.693 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.995 -1.722 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.104 -0.088 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.580 -0.929 4.852 1.00 0.00 H new ATOM 609 N GLU A 42 -3.901 3.497 2.818 1.00 0.00 N ATOM 610 CA GLU A 42 -4.545 4.753 3.161 1.00 0.00 C ATOM 611 C GLU A 42 -6.066 4.587 3.160 1.00 0.00 C ATOM 612 O GLU A 42 -6.749 5.079 4.057 1.00 0.00 O ATOM 613 CB GLU A 42 -4.115 5.868 2.206 1.00 0.00 C ATOM 614 CG GLU A 42 -2.960 6.680 2.796 1.00 0.00 C ATOM 615 CD GLU A 42 -3.483 7.868 3.607 1.00 0.00 C ATOM 616 OE1 GLU A 42 -4.516 8.432 3.186 1.00 0.00 O ATOM 617 OE2 GLU A 42 -2.838 8.184 4.630 1.00 0.00 O ATOM 0 H GLU A 42 -3.081 3.588 2.218 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.231 5.038 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.811 5.437 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.961 6.525 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.350 6.040 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.315 7.038 1.993 1.00 0.00 H new ATOM 624 N GLN A 43 -6.553 3.892 2.142 1.00 0.00 N ATOM 625 CA GLN A 43 -7.980 3.655 2.012 1.00 0.00 C ATOM 626 C GLN A 43 -8.536 3.042 3.299 1.00 0.00 C ATOM 627 O GLN A 43 -9.402 3.628 3.947 1.00 0.00 O ATOM 628 CB GLN A 43 -8.281 2.762 0.806 1.00 0.00 C ATOM 629 CG GLN A 43 -8.773 3.593 -0.381 1.00 0.00 C ATOM 630 CD GLN A 43 -10.197 3.195 -0.775 1.00 0.00 C ATOM 631 OE1 GLN A 43 -10.430 2.527 -1.769 1.00 0.00 O ATOM 632 NE2 GLN A 43 -11.133 3.643 0.057 1.00 0.00 N ATOM 0 H GLN A 43 -5.984 3.485 1.400 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.473 4.613 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.383 2.212 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.036 2.023 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.745 4.652 -0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.104 3.453 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.869 4.197 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.115 3.432 -0.119 1.00 0.00 H new ATOM 641 N HIS A 44 -8.015 1.870 3.632 1.00 0.00 N ATOM 642 CA HIS A 44 -8.447 1.171 4.830 1.00 0.00 C ATOM 643 C HIS A 44 -7.935 1.910 6.068 1.00 0.00 C ATOM 644 O HIS A 44 -8.329 1.595 7.190 1.00 0.00 O ATOM 645 CB HIS A 44 -8.011 -0.295 4.792 1.00 0.00 C ATOM 646 CG HIS A 44 -9.099 -1.249 4.359 1.00 0.00 C ATOM 647 ND1 HIS A 44 -10.123 -1.650 5.200 1.00 0.00 N ATOM 648 CD2 HIS A 44 -9.313 -1.875 3.166 1.00 0.00 C ATOM 649 CE1 HIS A 44 -10.910 -2.480 4.534 1.00 0.00 C ATOM 650 NE2 HIS A 44 -10.407 -2.619 3.273 1.00 0.00 N ATOM 0 H HIS A 44 -7.297 1.387 3.092 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.536 1.164 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.164 -0.394 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.661 -0.585 5.783 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -10.249 -1.356 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.697 -1.781 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.795 -2.963 4.921 1.00 0.00 H new ATOM 658 N ASN A 45 -7.066 2.878 5.822 1.00 0.00 N ATOM 659 CA ASN A 45 -6.496 3.664 6.903 1.00 0.00 C ATOM 660 C ASN A 45 -5.250 2.957 7.440 1.00 0.00 C ATOM 661 O ASN A 45 -5.170 2.649 8.629 1.00 0.00 O ATOM 662 CB ASN A 45 -7.488 3.815 8.058 1.00 0.00 C ATOM 663 CG ASN A 45 -7.284 5.144 8.786 1.00 0.00 C ATOM 664 OD1 ASN A 45 -6.443 5.954 8.432 1.00 0.00 O ATOM 665 ND2 ASN A 45 -8.099 5.324 9.822 1.00 0.00 N ATOM 0 H ASN A 45 -6.742 3.136 4.890 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.249 4.650 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.507 3.758 7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.364 2.990 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.042 6.180 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.781 4.606 10.065 1.00 0.00 H new ATOM 672 N TRP A 46 -4.308 2.720 6.539 1.00 0.00 N ATOM 673 CA TRP A 46 -3.070 2.054 6.907 1.00 0.00 C ATOM 674 C TRP A 46 -3.423 0.846 7.777 1.00 0.00 C ATOM 675 O TRP A 46 -3.001 0.761 8.929 1.00 0.00 O ATOM 676 CB TRP A 46 -2.109 3.026 7.596 1.00 0.00 C ATOM 677 CG TRP A 46 -1.556 4.113 6.673 1.00 0.00 C ATOM 678 CD1 TRP A 46 -2.116 5.288 6.353 1.00 0.00 C ATOM 679 CD2 TRP A 46 -0.302 4.078 5.958 1.00 0.00 C ATOM 680 NE1 TRP A 46 -1.319 6.010 5.488 1.00 0.00 N ATOM 681 CE2 TRP A 46 -0.181 5.251 5.241 1.00 0.00 C ATOM 682 CE3 TRP A 46 0.696 3.089 5.920 1.00 0.00 C ATOM 683 CZ2 TRP A 46 0.924 5.544 4.433 1.00 0.00 C ATOM 684 CZ3 TRP A 46 1.793 3.397 5.107 1.00 0.00 C ATOM 685 CH2 TRP A 46 1.931 4.572 4.379 1.00 0.00 C ATOM 0 H TRP A 46 -4.377 2.977 5.554 1.00 0.00 H new ATOM 0 HA TRP A 46 -2.543 1.702 6.020 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.625 3.500 8.431 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.276 2.461 8.015 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.071 5.627 6.725 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.527 6.931 5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.622 2.165 6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.996 6.470 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.589 2.670 5.041 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.811 4.735 3.774 1.00 0.00 H new ATOM 696 N ASN A 47 -4.194 -0.059 7.191 1.00 0.00 N ATOM 697 CA ASN A 47 -4.609 -1.259 7.898 1.00 0.00 C ATOM 698 C ASN A 47 -4.267 -2.487 7.053 1.00 0.00 C ATOM 699 O ASN A 47 -5.146 -3.081 6.430 1.00 0.00 O ATOM 700 CB ASN A 47 -6.119 -1.259 8.144 1.00 0.00 C ATOM 701 CG ASN A 47 -6.438 -0.911 9.599 1.00 0.00 C ATOM 702 OD1 ASN A 47 -5.808 -0.067 10.215 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.448 -1.607 10.113 1.00 0.00 N ATOM 0 H ASN A 47 -4.542 0.015 6.235 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.088 -1.284 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.599 -0.539 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.530 -2.239 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.738 -1.449 11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.933 -2.299 9.542 1.00 0.00 H new ATOM 710 N ILE A 48 -2.987 -2.833 7.059 1.00 0.00 N ATOM 711 CA ILE A 48 -2.519 -3.980 6.300 1.00 0.00 C ATOM 712 C ILE A 48 -3.550 -5.106 6.397 1.00 0.00 C ATOM 713 O ILE A 48 -3.965 -5.661 5.381 1.00 0.00 O ATOM 714 CB ILE A 48 -1.117 -4.389 6.758 1.00 0.00 C ATOM 715 CG1 ILE A 48 -0.072 -3.369 6.301 1.00 0.00 C ATOM 716 CG2 ILE A 48 -0.779 -5.806 6.291 1.00 0.00 C ATOM 717 CD1 ILE A 48 1.319 -3.740 6.819 1.00 0.00 C ATOM 0 H ILE A 48 -2.261 -2.339 7.577 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.424 -3.725 5.245 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.102 -4.398 7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.058 -3.321 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.345 -2.377 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.222 -6.072 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.501 -6.508 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.817 -5.849 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.043 -2.999 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.307 -3.764 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.599 -4.722 6.438 1.00 0.00 H new ATOM 729 N GLU A 49 -3.933 -5.410 7.628 1.00 0.00 N ATOM 730 CA GLU A 49 -4.908 -6.460 7.871 1.00 0.00 C ATOM 731 C GLU A 49 -6.090 -6.319 6.910 1.00 0.00 C ATOM 732 O GLU A 49 -6.525 -7.300 6.309 1.00 0.00 O ATOM 733 CB GLU A 49 -5.380 -6.444 9.326 1.00 0.00 C ATOM 734 CG GLU A 49 -5.196 -7.816 9.977 1.00 0.00 C ATOM 735 CD GLU A 49 -6.311 -8.776 9.557 1.00 0.00 C ATOM 736 OE1 GLU A 49 -6.381 -9.068 8.344 1.00 0.00 O ATOM 737 OE2 GLU A 49 -7.068 -9.196 10.459 1.00 0.00 O ATOM 0 H GLU A 49 -3.586 -4.948 8.468 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.429 -7.422 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.821 -5.694 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.430 -6.155 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.229 -8.230 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.192 -7.710 11.062 1.00 0.00 H new ATOM 744 N ALA A 50 -6.575 -5.092 6.794 1.00 0.00 N ATOM 745 CA ALA A 50 -7.698 -4.811 5.916 1.00 0.00 C ATOM 746 C ALA A 50 -7.190 -4.651 4.482 1.00 0.00 C ATOM 747 O ALA A 50 -7.638 -5.355 3.579 1.00 0.00 O ATOM 748 CB ALA A 50 -8.437 -3.568 6.415 1.00 0.00 C ATOM 0 H ALA A 50 -6.211 -4.281 7.294 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.408 -5.638 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.280 -3.357 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.802 -3.744 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.756 -2.717 6.418 1.00 0.00 H new ATOM 754 N ALA A 51 -6.262 -3.720 4.317 1.00 0.00 N ATOM 755 CA ALA A 51 -5.689 -3.458 3.007 1.00 0.00 C ATOM 756 C ALA A 51 -5.422 -4.787 2.297 1.00 0.00 C ATOM 757 O ALA A 51 -5.807 -4.966 1.143 1.00 0.00 O ATOM 758 CB ALA A 51 -4.421 -2.616 3.164 1.00 0.00 C ATOM 0 H ALA A 51 -5.892 -3.138 5.068 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.385 -2.889 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.991 -2.419 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.669 -1.671 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.698 -3.157 3.775 1.00 0.00 H new ATOM 764 N VAL A 52 -4.766 -5.685 3.017 1.00 0.00 N ATOM 765 CA VAL A 52 -4.444 -6.992 2.471 1.00 0.00 C ATOM 766 C VAL A 52 -5.710 -7.622 1.887 1.00 0.00 C ATOM 767 O VAL A 52 -5.683 -8.172 0.787 1.00 0.00 O ATOM 768 CB VAL A 52 -3.784 -7.860 3.544 1.00 0.00 C ATOM 769 CG1 VAL A 52 -3.853 -9.342 3.169 1.00 0.00 C ATOM 770 CG2 VAL A 52 -2.339 -7.423 3.791 1.00 0.00 C ATOM 0 H VAL A 52 -4.449 -5.533 3.974 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.723 -6.899 1.659 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.338 -7.723 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.377 -9.937 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.896 -9.644 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.336 -9.502 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.893 -8.056 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.768 -7.516 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.325 -6.385 4.124 1.00 0.00 H new ATOM 780 N GLN A 53 -6.788 -7.520 2.649 1.00 0.00 N ATOM 781 CA GLN A 53 -8.062 -8.074 2.221 1.00 0.00 C ATOM 782 C GLN A 53 -8.561 -7.350 0.969 1.00 0.00 C ATOM 783 O GLN A 53 -8.727 -7.966 -0.083 1.00 0.00 O ATOM 784 CB GLN A 53 -9.097 -8.000 3.346 1.00 0.00 C ATOM 785 CG GLN A 53 -9.142 -9.310 4.136 1.00 0.00 C ATOM 786 CD GLN A 53 -10.524 -9.959 4.042 1.00 0.00 C ATOM 787 OE1 GLN A 53 -11.469 -9.568 4.707 1.00 0.00 O ATOM 788 NE2 GLN A 53 -10.589 -10.971 3.181 1.00 0.00 N ATOM 0 H GLN A 53 -6.806 -7.062 3.560 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.915 -9.126 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.853 -7.175 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.081 -7.790 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.387 -9.996 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.897 -9.118 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.760 -11.248 2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.468 -11.470 3.046 1.00 0.00 H new ATOM 797 N ASP A 54 -8.786 -6.054 1.123 1.00 0.00 N ATOM 798 CA ASP A 54 -9.262 -5.240 0.018 1.00 0.00 C ATOM 799 C ASP A 54 -8.364 -5.466 -1.200 1.00 0.00 C ATOM 800 O ASP A 54 -8.786 -5.251 -2.335 1.00 0.00 O ATOM 801 CB ASP A 54 -9.217 -3.752 0.369 1.00 0.00 C ATOM 802 CG ASP A 54 -10.101 -2.855 -0.499 1.00 0.00 C ATOM 803 OD1 ASP A 54 -10.199 -3.154 -1.709 1.00 0.00 O ATOM 804 OD2 ASP A 54 -10.660 -1.890 0.066 1.00 0.00 O ATOM 0 H ASP A 54 -8.647 -5.547 1.997 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.292 -5.529 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.514 -3.631 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.186 -3.407 0.290 1.00 0.00 H new ATOM 809 N ARG A 55 -7.142 -5.896 -0.923 1.00 0.00 N ATOM 810 CA ARG A 55 -6.181 -6.153 -1.981 1.00 0.00 C ATOM 811 C ARG A 55 -6.472 -7.499 -2.648 1.00 0.00 C ATOM 812 O ARG A 55 -6.673 -7.565 -3.860 1.00 0.00 O ATOM 813 CB ARG A 55 -4.751 -6.161 -1.437 1.00 0.00 C ATOM 814 CG ARG A 55 -3.813 -6.929 -2.370 1.00 0.00 C ATOM 815 CD ARG A 55 -3.718 -6.247 -3.736 1.00 0.00 C ATOM 816 NE ARG A 55 -2.952 -7.097 -4.674 1.00 0.00 N ATOM 817 CZ ARG A 55 -3.492 -8.078 -5.411 1.00 0.00 C ATOM 818 NH1 ARG A 55 -4.803 -8.339 -5.321 1.00 0.00 N ATOM 819 NH2 ARG A 55 -2.720 -8.799 -6.236 1.00 0.00 N ATOM 0 H ARG A 55 -6.795 -6.073 0.020 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.275 -5.352 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.396 -5.137 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.738 -6.616 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.821 -6.993 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.174 -7.950 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.717 -6.065 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.234 -5.276 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.951 -6.926 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.390 -7.791 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.214 -9.085 -5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.722 -8.601 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.131 -9.545 -6.797 1.00 0.00 H new ATOM 833 N LEU A 56 -6.487 -8.539 -1.827 1.00 0.00 N ATOM 834 CA LEU A 56 -6.750 -9.880 -2.322 1.00 0.00 C ATOM 835 C LEU A 56 -8.194 -9.959 -2.822 1.00 0.00 C ATOM 836 O LEU A 56 -8.435 -10.287 -3.983 1.00 0.00 O ATOM 837 CB LEU A 56 -6.411 -10.921 -1.254 1.00 0.00 C ATOM 838 CG LEU A 56 -4.945 -11.353 -1.180 1.00 0.00 C ATOM 839 CD1 LEU A 56 -4.333 -10.986 0.173 1.00 0.00 C ATOM 840 CD2 LEU A 56 -4.797 -12.844 -1.491 1.00 0.00 C ATOM 0 H LEU A 56 -6.321 -8.480 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.105 -10.107 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.701 -10.523 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.022 -11.806 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.389 -10.808 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.291 -11.304 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.387 -9.907 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.885 -11.485 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.746 -13.125 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.370 -13.425 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.170 -13.045 -2.495 1.00 0.00 H new ATOM 852 N ASN A 57 -9.116 -9.653 -1.921 1.00 0.00 N ATOM 853 CA ASN A 57 -10.530 -9.686 -2.257 1.00 0.00 C ATOM 854 C ASN A 57 -10.730 -9.112 -3.661 1.00 0.00 C ATOM 855 O ASN A 57 -11.326 -9.759 -4.520 1.00 0.00 O ATOM 856 CB ASN A 57 -11.347 -8.839 -1.279 1.00 0.00 C ATOM 857 CG ASN A 57 -11.654 -9.621 0.000 1.00 0.00 C ATOM 858 OD1 ASN A 57 -11.892 -10.818 -0.015 1.00 0.00 O ATOM 859 ND2 ASN A 57 -11.634 -8.880 1.104 1.00 0.00 N ATOM 0 H ASN A 57 -8.912 -9.381 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.865 -10.722 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.797 -7.931 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.279 -8.528 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.825 -9.309 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.427 -7.883 1.045 1.00 0.00 H new ATOM 866 N GLU A 58 -10.219 -7.904 -3.850 1.00 0.00 N ATOM 867 CA GLU A 58 -10.334 -7.236 -5.135 1.00 0.00 C ATOM 868 C GLU A 58 -11.771 -7.325 -5.653 1.00 0.00 C ATOM 869 O GLU A 58 -12.032 -7.981 -6.660 1.00 0.00 O ATOM 870 CB GLU A 58 -9.349 -7.823 -6.148 1.00 0.00 C ATOM 871 CG GLU A 58 -8.827 -6.741 -7.096 1.00 0.00 C ATOM 872 CD GLU A 58 -7.614 -7.240 -7.883 1.00 0.00 C ATOM 873 OE1 GLU A 58 -7.765 -8.281 -8.557 1.00 0.00 O ATOM 874 OE2 GLU A 58 -6.564 -6.568 -7.793 1.00 0.00 O ATOM 0 H GLU A 58 -9.724 -7.371 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.082 -6.184 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.513 -8.285 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.838 -8.610 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.617 -6.446 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.555 -5.853 -6.525 1.00 0.00 H new ATOM 881 N GLN A 59 -12.666 -6.656 -4.940 1.00 0.00 N ATOM 882 CA GLN A 59 -14.069 -6.651 -5.315 1.00 0.00 C ATOM 883 C GLN A 59 -14.285 -5.779 -6.554 1.00 0.00 C ATOM 884 O GLN A 59 -13.962 -4.593 -6.546 1.00 0.00 O ATOM 885 CB GLN A 59 -14.946 -6.179 -4.153 1.00 0.00 C ATOM 886 CG GLN A 59 -16.388 -6.659 -4.325 1.00 0.00 C ATOM 887 CD GLN A 59 -16.900 -7.326 -3.046 1.00 0.00 C ATOM 888 OE1 GLN A 59 -16.157 -7.595 -2.116 1.00 0.00 O ATOM 889 NE2 GLN A 59 -18.206 -7.577 -3.052 1.00 0.00 N ATOM 0 H GLN A 59 -12.446 -6.114 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.363 -7.672 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.543 -6.555 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.925 -5.091 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -17.028 -5.815 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.444 -7.364 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.770 -7.326 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.644 -8.021 -2.245 1.00 0.00 H new ATOM 898 N GLU A 60 -14.830 -6.402 -7.589 1.00 0.00 N ATOM 899 CA GLU A 60 -15.093 -5.698 -8.832 1.00 0.00 C ATOM 900 C GLU A 60 -13.869 -4.879 -9.247 1.00 0.00 C ATOM 901 O GLU A 60 -13.754 -3.706 -8.895 1.00 0.00 O ATOM 902 CB GLU A 60 -16.331 -4.808 -8.708 1.00 0.00 C ATOM 903 CG GLU A 60 -17.538 -5.450 -9.395 1.00 0.00 C ATOM 904 CD GLU A 60 -18.309 -6.348 -8.424 1.00 0.00 C ATOM 905 OE1 GLU A 60 -19.013 -5.779 -7.562 1.00 0.00 O ATOM 906 OE2 GLU A 60 -18.176 -7.582 -8.566 1.00 0.00 O ATOM 0 H GLU A 60 -15.096 -7.387 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.293 -6.436 -9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.556 -4.636 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.129 -3.834 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -18.198 -4.672 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.204 -6.036 -10.251 1.00 0.00 H new ATOM 913 N GLY A 61 -12.985 -5.529 -9.990 1.00 0.00 N ATOM 914 CA GLY A 61 -11.774 -4.876 -10.457 1.00 0.00 C ATOM 915 C GLY A 61 -10.917 -5.836 -11.285 1.00 0.00 C ATOM 916 O GLY A 61 -10.373 -6.803 -10.754 1.00 0.00 O ATOM 0 H GLY A 61 -13.084 -6.502 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.035 -4.005 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.200 -4.514 -9.604 1.00 0.00 H new ATOM 920 N SER A 62 -10.824 -5.535 -12.572 1.00 0.00 N ATOM 921 CA SER A 62 -10.043 -6.359 -13.478 1.00 0.00 C ATOM 922 C SER A 62 -9.024 -5.495 -14.224 1.00 0.00 C ATOM 923 O SER A 62 -9.280 -4.323 -14.497 1.00 0.00 O ATOM 924 CB SER A 62 -10.945 -7.093 -14.471 1.00 0.00 C ATOM 925 OG SER A 62 -11.956 -7.852 -13.814 1.00 0.00 O ATOM 0 H SER A 62 -11.277 -4.732 -13.009 1.00 0.00 H new ATOM 0 HA SER A 62 -9.513 -7.107 -12.889 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.412 -6.370 -15.140 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.339 -7.755 -15.090 1.00 0.00 H new ATOM 0 HG SER A 62 -12.512 -8.304 -14.482 1.00 0.00 H new ATOM 931 N GLY A 63 -7.890 -6.107 -14.534 1.00 0.00 N ATOM 932 CA GLY A 63 -6.832 -5.409 -15.243 1.00 0.00 C ATOM 933 C GLY A 63 -5.574 -6.274 -15.342 1.00 0.00 C ATOM 934 O GLY A 63 -4.794 -6.353 -14.394 1.00 0.00 O ATOM 0 H GLY A 63 -7.681 -7.079 -14.307 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.174 -5.143 -16.243 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.597 -4.478 -14.728 1.00 0.00 H new ATOM 938 N PRO A 64 -5.412 -6.918 -16.529 1.00 0.00 N ATOM 939 CA PRO A 64 -4.262 -7.775 -16.764 1.00 0.00 C ATOM 940 C PRO A 64 -2.999 -6.945 -17.002 1.00 0.00 C ATOM 941 O PRO A 64 -3.079 -5.739 -17.229 1.00 0.00 O ATOM 942 CB PRO A 64 -4.646 -8.629 -17.961 1.00 0.00 C ATOM 943 CG PRO A 64 -5.799 -7.905 -18.637 1.00 0.00 C ATOM 944 CD PRO A 64 -6.315 -6.849 -17.674 1.00 0.00 C ATOM 0 HA PRO A 64 -4.022 -8.402 -15.905 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.804 -8.746 -18.644 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.943 -9.630 -17.648 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.467 -7.444 -19.567 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.592 -8.607 -18.894 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.303 -5.859 -18.129 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.345 -7.051 -17.379 1.00 0.00 H new ATOM 952 N SER A 65 -1.863 -7.624 -16.942 1.00 0.00 N ATOM 953 CA SER A 65 -0.585 -6.964 -17.148 1.00 0.00 C ATOM 954 C SER A 65 0.555 -7.973 -16.999 1.00 0.00 C ATOM 955 O SER A 65 1.130 -8.110 -15.920 1.00 0.00 O ATOM 956 CB SER A 65 -0.399 -5.804 -16.168 1.00 0.00 C ATOM 957 OG SER A 65 0.069 -4.625 -16.818 1.00 0.00 O ATOM 0 H SER A 65 -1.801 -8.625 -16.754 1.00 0.00 H new ATOM 0 HA SER A 65 -0.570 -6.556 -18.158 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.347 -5.593 -15.672 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.309 -6.095 -15.392 1.00 0.00 H new ATOM 0 HG SER A 65 0.173 -3.907 -16.159 1.00 0.00 H new ATOM 963 N SER A 66 0.848 -8.653 -18.097 1.00 0.00 N ATOM 964 CA SER A 66 1.910 -9.646 -18.101 1.00 0.00 C ATOM 965 C SER A 66 2.085 -10.218 -19.509 1.00 0.00 C ATOM 966 O SER A 66 1.239 -10.010 -20.378 1.00 0.00 O ATOM 967 CB SER A 66 1.617 -10.769 -17.105 1.00 0.00 C ATOM 968 OG SER A 66 2.725 -11.020 -16.243 1.00 0.00 O ATOM 0 H SER A 66 0.369 -8.537 -18.990 1.00 0.00 H new ATOM 0 HA SER A 66 2.836 -9.159 -17.796 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.745 -10.505 -16.507 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.367 -11.680 -17.649 1.00 0.00 H new ATOM 0 HG SER A 66 2.498 -11.742 -15.621 1.00 0.00 H new ATOM 974 N GLY A 67 3.189 -10.927 -19.692 1.00 0.00 N ATOM 975 CA GLY A 67 3.487 -11.531 -20.980 1.00 0.00 C ATOM 976 C GLY A 67 3.954 -10.476 -21.985 1.00 0.00 C ATOM 977 O GLY A 67 5.101 -10.501 -22.429 1.00 0.00 O ATOM 0 H GLY A 67 3.889 -11.097 -18.969 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.259 -12.291 -20.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.600 -12.036 -21.363 1.00 0.00 H new TER 981 GLY A 67