USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot 180:sc= -0.915 USER MOD Set 1.2: A 71 GLN : amide:sc= -2.99 X(o=-3.9,f=-4.1!) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.8!) 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 9 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.31) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 155:sc= -0.0643 (180deg=-0.551) USER MOD Single : A 29 SER OG : rot -51:sc= 0.428 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -0.0137 (180deg=-0.0489) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -60:sc= -0.323 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -37:sc= -1.93 USER MOD Single : A 53 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-4.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -139:sc= -3.76! (180deg=-6.99!) USER MOD Single : A 75 ASN : amide:sc= -2.3 X(o=-2.3,f=-2.2!) USER MOD Single : A 76 THR OG1 : rot 93:sc= 0.0821 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0793) USER MOD Single : A 83 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.47) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -1.3 (180deg=-1.39) USER MOD Single : A 91 GLN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.39 F(o=-1.1,f=-0.39) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 44:sc= 0.0842 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.472 23.388 26.674 1.00 0.00 N ATOM 2 CA GLY A 1 -17.785 22.963 25.423 1.00 0.00 C ATOM 3 C GLY A 1 -17.559 21.465 25.363 1.00 0.00 C ATOM 4 O GLY A 1 -18.512 20.688 25.311 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.602 24.420 26.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.400 22.922 26.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.894 23.119 27.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.380 23.272 24.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.826 23.475 25.348 1.00 0.00 H new ATOM 10 N SER A 2 -16.294 21.058 25.372 1.00 0.00 N ATOM 11 CA SER A 2 -15.946 19.643 25.319 1.00 0.00 C ATOM 12 C SER A 2 -14.502 19.421 25.760 1.00 0.00 C ATOM 13 O SER A 2 -13.576 20.014 25.209 1.00 0.00 O ATOM 14 CB SER A 2 -16.148 19.100 23.903 1.00 0.00 C ATOM 15 OG SER A 2 -16.678 17.786 23.931 1.00 0.00 O ATOM 0 H SER A 2 -15.493 21.688 25.415 1.00 0.00 H new ATOM 0 HA SER A 2 -16.603 19.107 26.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.822 19.756 23.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.197 19.100 23.371 1.00 0.00 H new ATOM 0 HG SER A 2 -16.799 17.463 23.014 1.00 0.00 H new ATOM 21 N SER A 3 -14.320 18.562 26.757 1.00 0.00 N ATOM 22 CA SER A 3 -12.988 18.261 27.273 1.00 0.00 C ATOM 23 C SER A 3 -12.988 16.942 28.040 1.00 0.00 C ATOM 24 O SER A 3 -14.007 16.257 28.118 1.00 0.00 O ATOM 25 CB SER A 3 -12.503 19.392 28.180 1.00 0.00 C ATOM 26 OG SER A 3 -13.334 19.525 29.321 1.00 0.00 O ATOM 0 H SER A 3 -15.076 18.062 27.224 1.00 0.00 H new ATOM 0 HA SER A 3 -12.309 18.168 26.426 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.478 19.196 28.494 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.492 20.329 27.623 1.00 0.00 H new ATOM 0 HG SER A 3 -13.001 20.254 29.885 1.00 0.00 H new ATOM 32 N GLY A 4 -11.837 16.594 28.606 1.00 0.00 N ATOM 33 CA GLY A 4 -11.725 15.359 29.359 1.00 0.00 C ATOM 34 C GLY A 4 -11.556 14.147 28.465 1.00 0.00 C ATOM 35 O GLY A 4 -12.458 13.316 28.359 1.00 0.00 O ATOM 0 H GLY A 4 -10.980 17.145 28.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.875 15.427 30.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.615 15.231 29.975 1.00 0.00 H new ATOM 39 N SER A 5 -10.398 14.045 27.822 1.00 0.00 N ATOM 40 CA SER A 5 -10.114 12.925 26.932 1.00 0.00 C ATOM 41 C SER A 5 -9.945 11.632 27.723 1.00 0.00 C ATOM 42 O SER A 5 -10.002 11.633 28.952 1.00 0.00 O ATOM 43 CB SER A 5 -8.852 13.204 26.112 1.00 0.00 C ATOM 44 OG SER A 5 -9.172 13.816 24.876 1.00 0.00 O ATOM 0 H SER A 5 -9.641 14.724 27.900 1.00 0.00 H new ATOM 0 HA SER A 5 -10.960 12.808 26.255 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.182 13.851 26.679 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.318 12.271 25.932 1.00 0.00 H new ATOM 0 HG SER A 5 -8.349 13.985 24.372 1.00 0.00 H new ATOM 50 N SER A 6 -9.739 10.530 27.008 1.00 0.00 N ATOM 51 CA SER A 6 -9.562 9.230 27.644 1.00 0.00 C ATOM 52 C SER A 6 -8.193 9.129 28.307 1.00 0.00 C ATOM 53 O SER A 6 -8.087 8.812 29.491 1.00 0.00 O ATOM 54 CB SER A 6 -9.727 8.109 26.615 1.00 0.00 C ATOM 55 OG SER A 6 -11.068 8.023 26.165 1.00 0.00 O ATOM 0 H SER A 6 -9.691 10.512 25.989 1.00 0.00 H new ATOM 0 HA SER A 6 -10.326 9.124 28.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.066 8.289 25.767 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.427 7.159 27.056 1.00 0.00 H new ATOM 0 HG SER A 6 -11.147 7.301 25.507 1.00 0.00 H new ATOM 61 N GLY A 7 -7.146 9.402 27.535 1.00 0.00 N ATOM 62 CA GLY A 7 -5.796 9.336 28.065 1.00 0.00 C ATOM 63 C GLY A 7 -4.745 9.639 27.015 1.00 0.00 C ATOM 64 O GLY A 7 -3.855 8.824 26.767 1.00 0.00 O ATOM 0 H GLY A 7 -7.208 9.668 26.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.697 10.044 28.888 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.619 8.342 28.476 1.00 0.00 H new ATOM 68 N LEU A 8 -4.848 10.811 26.398 1.00 0.00 N ATOM 69 CA LEU A 8 -3.899 11.218 25.369 1.00 0.00 C ATOM 70 C LEU A 8 -3.363 12.619 25.648 1.00 0.00 C ATOM 71 O LEU A 8 -4.112 13.515 26.040 1.00 0.00 O ATOM 72 CB LEU A 8 -4.560 11.172 23.988 1.00 0.00 C ATOM 73 CG LEU A 8 -3.891 10.234 22.982 1.00 0.00 C ATOM 74 CD1 LEU A 8 -4.731 10.122 21.718 1.00 0.00 C ATOM 75 CD2 LEU A 8 -2.489 10.722 22.651 1.00 0.00 C ATOM 0 H LEU A 8 -5.579 11.495 26.593 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.062 10.521 25.384 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.600 10.868 24.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.569 12.180 23.572 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.813 9.244 23.431 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.240 9.451 21.013 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.716 9.728 21.969 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.840 11.107 21.265 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.027 10.043 21.934 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.544 11.722 22.221 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.890 10.751 23.561 1.00 0.00 H new ATOM 87 N GLN A 9 -2.062 12.802 25.445 1.00 0.00 N ATOM 88 CA GLN A 9 -1.426 14.094 25.674 1.00 0.00 C ATOM 89 C GLN A 9 -0.918 14.691 24.366 1.00 0.00 C ATOM 90 O GLN A 9 -1.306 15.796 23.984 1.00 0.00 O ATOM 91 CB GLN A 9 -0.269 13.947 26.664 1.00 0.00 C ATOM 92 CG GLN A 9 -0.679 14.149 28.113 1.00 0.00 C ATOM 93 CD GLN A 9 -1.301 15.510 28.359 1.00 0.00 C ATOM 94 OE1 GLN A 9 -0.615 16.531 28.338 1.00 0.00 O ATOM 95 NE2 GLN A 9 -2.608 15.529 28.596 1.00 0.00 N ATOM 0 H GLN A 9 -1.428 12.071 25.122 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.172 14.769 26.094 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.169 12.955 26.554 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.508 14.668 26.411 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.389 13.372 28.397 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.195 14.032 28.754 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.138 14.657 28.604 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.082 16.415 28.770 1.00 0.00 H new ATOM 104 N GLN A 10 -0.049 13.954 23.682 1.00 0.00 N ATOM 105 CA GLN A 10 0.512 14.412 22.416 1.00 0.00 C ATOM 106 C GLN A 10 1.128 13.249 21.643 1.00 0.00 C ATOM 107 O GLN A 10 1.780 12.381 22.223 1.00 0.00 O ATOM 108 CB GLN A 10 1.566 15.492 22.663 1.00 0.00 C ATOM 109 CG GLN A 10 1.666 16.512 21.540 1.00 0.00 C ATOM 110 CD GLN A 10 1.045 17.845 21.907 1.00 0.00 C ATOM 111 OE1 GLN A 10 1.747 18.802 22.232 1.00 0.00 O ATOM 112 NE2 GLN A 10 -0.280 17.915 21.857 1.00 0.00 N ATOM 0 H GLN A 10 0.282 13.037 23.983 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.296 14.834 21.819 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.333 16.010 23.593 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.537 15.016 22.798 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.715 16.662 21.283 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.173 16.118 20.651 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.824 17.097 21.582 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.754 18.787 22.093 1.00 0.00 H new ATOM 121 N GLN A 11 0.916 13.241 20.331 1.00 0.00 N ATOM 122 CA GLN A 11 1.452 12.185 19.479 1.00 0.00 C ATOM 123 C GLN A 11 1.991 12.761 18.173 1.00 0.00 C ATOM 124 O GLN A 11 1.866 13.957 17.912 1.00 0.00 O ATOM 125 CB GLN A 11 0.370 11.144 19.182 1.00 0.00 C ATOM 126 CG GLN A 11 0.902 9.721 19.100 1.00 0.00 C ATOM 127 CD GLN A 11 0.365 8.832 20.205 1.00 0.00 C ATOM 128 OE1 GLN A 11 -0.602 8.096 20.010 1.00 0.00 O ATOM 129 NE2 GLN A 11 0.991 8.897 21.375 1.00 0.00 N ATOM 0 H GLN A 11 0.378 13.952 19.835 1.00 0.00 H new ATOM 0 HA GLN A 11 2.274 11.705 20.010 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.393 11.194 19.958 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.117 11.396 18.240 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.636 9.293 18.133 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.991 9.741 19.152 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.789 9.521 21.492 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.674 8.322 22.156 1.00 0.00 H new ATOM 138 N GLU A 12 2.591 11.901 17.357 1.00 0.00 N ATOM 139 CA GLU A 12 3.150 12.324 16.078 1.00 0.00 C ATOM 140 C GLU A 12 2.042 12.636 15.078 1.00 0.00 C ATOM 141 O GLU A 12 0.934 12.109 15.178 1.00 0.00 O ATOM 142 CB GLU A 12 4.070 11.239 15.516 1.00 0.00 C ATOM 143 CG GLU A 12 3.391 9.888 15.353 1.00 0.00 C ATOM 144 CD GLU A 12 3.183 9.511 13.899 1.00 0.00 C ATOM 145 OE1 GLU A 12 2.609 10.327 13.149 1.00 0.00 O ATOM 146 OE2 GLU A 12 3.596 8.397 13.510 1.00 0.00 O ATOM 0 H GLU A 12 2.703 10.907 17.558 1.00 0.00 H new ATOM 0 HA GLU A 12 3.730 13.231 16.245 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.451 11.564 14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.930 11.126 16.176 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.994 9.122 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.427 9.907 15.861 1.00 0.00 H new ATOM 153 N GLU A 13 2.350 13.495 14.111 1.00 0.00 N ATOM 154 CA GLU A 13 1.380 13.878 13.091 1.00 0.00 C ATOM 155 C GLU A 13 1.735 13.258 11.743 1.00 0.00 C ATOM 156 O GLU A 13 2.906 13.027 11.444 1.00 0.00 O ATOM 157 CB GLU A 13 1.316 15.401 12.965 1.00 0.00 C ATOM 158 CG GLU A 13 0.300 16.047 13.891 1.00 0.00 C ATOM 159 CD GLU A 13 0.416 17.558 13.922 1.00 0.00 C ATOM 160 OE1 GLU A 13 1.350 18.069 14.574 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.428 18.231 13.294 1.00 0.00 O ATOM 0 H GLU A 13 3.263 13.939 14.012 1.00 0.00 H new ATOM 0 HA GLU A 13 0.402 13.505 13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.302 15.816 13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.073 15.662 11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.705 15.770 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.433 15.656 14.900 1.00 0.00 H new ATOM 168 N GLU A 14 0.715 12.992 10.934 1.00 0.00 N ATOM 169 CA GLU A 14 0.920 12.399 9.617 1.00 0.00 C ATOM 170 C GLU A 14 1.509 13.418 8.648 1.00 0.00 C ATOM 171 O GLU A 14 0.857 14.399 8.290 1.00 0.00 O ATOM 172 CB GLU A 14 -0.402 11.860 9.067 1.00 0.00 C ATOM 173 CG GLU A 14 -0.232 10.932 7.875 1.00 0.00 C ATOM 174 CD GLU A 14 -1.278 11.165 6.801 1.00 0.00 C ATOM 175 OE1 GLU A 14 -2.465 10.875 7.057 1.00 0.00 O ATOM 176 OE2 GLU A 14 -0.909 11.637 5.707 1.00 0.00 O ATOM 0 H GLU A 14 -0.261 13.177 11.166 1.00 0.00 H new ATOM 0 HA GLU A 14 1.625 11.575 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.925 11.327 9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.034 12.699 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.761 11.074 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.288 9.897 8.214 1.00 0.00 H new ATOM 183 N THR A 15 2.747 13.179 8.227 1.00 0.00 N ATOM 184 CA THR A 15 3.424 14.076 7.298 1.00 0.00 C ATOM 185 C THR A 15 4.155 13.289 6.214 1.00 0.00 C ATOM 186 O THR A 15 5.371 13.109 6.276 1.00 0.00 O ATOM 187 CB THR A 15 4.412 14.970 8.050 1.00 0.00 C ATOM 188 OG1 THR A 15 4.885 14.323 9.218 1.00 0.00 O ATOM 189 CG2 THR A 15 3.819 16.298 8.468 1.00 0.00 C ATOM 0 H THR A 15 3.301 12.372 8.514 1.00 0.00 H new ATOM 0 HA THR A 15 2.669 14.701 6.820 1.00 0.00 H new ATOM 0 HB THR A 15 5.224 15.159 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.516 14.910 9.684 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.572 16.883 8.996 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.490 16.844 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.967 16.125 9.126 1.00 0.00 H new ATOM 197 N TYR A 16 3.404 12.823 5.222 1.00 0.00 N ATOM 198 CA TYR A 16 3.979 12.055 4.123 1.00 0.00 C ATOM 199 C TYR A 16 3.710 12.737 2.784 1.00 0.00 C ATOM 200 O TYR A 16 2.669 12.521 2.165 1.00 0.00 O ATOM 201 CB TYR A 16 3.407 10.637 4.109 1.00 0.00 C ATOM 202 CG TYR A 16 3.529 9.920 5.436 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.775 9.667 5.998 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.400 9.497 6.125 1.00 0.00 C ATOM 205 CE1 TYR A 16 4.890 9.012 7.208 1.00 0.00 C ATOM 206 CE2 TYR A 16 2.508 8.842 7.337 1.00 0.00 C ATOM 207 CZ TYR A 16 3.754 8.602 7.874 1.00 0.00 C ATOM 208 OH TYR A 16 3.866 7.950 9.080 1.00 0.00 O ATOM 0 H TYR A 16 2.396 12.963 5.156 1.00 0.00 H new ATOM 0 HA TYR A 16 5.057 12.003 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.356 10.681 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.920 10.055 3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.667 9.988 5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.422 9.683 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.865 8.822 7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.620 8.520 7.861 1.00 0.00 H new ATOM 0 HH TYR A 16 2.972 7.730 9.417 1.00 0.00 H new ATOM 218 N ALA A 17 4.656 13.560 2.345 1.00 0.00 N ATOM 219 CA ALA A 17 4.522 14.272 1.081 1.00 0.00 C ATOM 220 C ALA A 17 5.557 13.797 0.068 1.00 0.00 C ATOM 221 O ALA A 17 6.005 14.564 -0.784 1.00 0.00 O ATOM 222 CB ALA A 17 4.651 15.772 1.305 1.00 0.00 C ATOM 0 H ALA A 17 5.524 13.750 2.846 1.00 0.00 H new ATOM 0 HA ALA A 17 3.533 14.058 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.549 16.292 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.869 16.107 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.627 15.993 1.736 1.00 0.00 H new ATOM 228 N ASP A 18 5.933 12.526 0.166 1.00 0.00 N ATOM 229 CA ASP A 18 6.917 11.948 -0.743 1.00 0.00 C ATOM 230 C ASP A 18 6.685 10.450 -0.920 1.00 0.00 C ATOM 231 O ASP A 18 7.613 9.700 -1.222 1.00 0.00 O ATOM 232 CB ASP A 18 8.333 12.198 -0.220 1.00 0.00 C ATOM 233 CG ASP A 18 9.315 12.507 -1.334 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.032 12.137 -2.493 1.00 0.00 O ATOM 235 OD2 ASP A 18 10.365 13.118 -1.047 1.00 0.00 O ATOM 0 H ASP A 18 5.572 11.877 0.865 1.00 0.00 H new ATOM 0 HA ASP A 18 6.804 12.431 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.315 13.029 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.675 11.321 0.329 1.00 0.00 H new ATOM 240 N ALA A 19 5.441 10.020 -0.732 1.00 0.00 N ATOM 241 CA ALA A 19 5.090 8.612 -0.871 1.00 0.00 C ATOM 242 C ALA A 19 4.462 8.336 -2.234 1.00 0.00 C ATOM 243 O ALA A 19 3.934 9.240 -2.880 1.00 0.00 O ATOM 244 CB ALA A 19 4.144 8.191 0.242 1.00 0.00 C ATOM 0 H ALA A 19 4.660 10.627 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 19 6.006 8.025 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.891 7.137 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.627 8.343 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.235 8.790 0.193 1.00 0.00 H new ATOM 250 N CYS A 20 4.524 7.080 -2.664 1.00 0.00 N ATOM 251 CA CYS A 20 3.962 6.684 -3.950 1.00 0.00 C ATOM 252 C CYS A 20 2.708 5.837 -3.758 1.00 0.00 C ATOM 253 O CYS A 20 2.392 5.422 -2.642 1.00 0.00 O ATOM 254 CB CYS A 20 4.996 5.906 -4.765 1.00 0.00 C ATOM 255 SG CYS A 20 6.088 6.950 -5.760 1.00 0.00 S ATOM 0 H CYS A 20 4.958 6.319 -2.141 1.00 0.00 H new ATOM 0 HA CYS A 20 3.689 7.589 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.603 5.307 -4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.476 5.211 -5.424 1.00 0.00 H new ATOM 0 HG CYS A 20 6.929 6.202 -6.411 1.00 0.00 H new ATOM 261 N ASP A 21 1.997 5.584 -4.852 1.00 0.00 N ATOM 262 CA ASP A 21 0.778 4.785 -4.804 1.00 0.00 C ATOM 263 C ASP A 21 1.060 3.387 -4.264 1.00 0.00 C ATOM 264 O ASP A 21 0.187 2.751 -3.673 1.00 0.00 O ATOM 265 CB ASP A 21 0.153 4.690 -6.197 1.00 0.00 C ATOM 266 CG ASP A 21 -0.856 5.792 -6.455 1.00 0.00 C ATOM 267 OD1 ASP A 21 -0.728 6.871 -5.840 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.776 5.575 -7.272 1.00 0.00 O ATOM 0 H ASP A 21 2.244 5.921 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 21 0.078 5.278 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.940 4.739 -6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.335 3.722 -6.308 1.00 0.00 H new ATOM 273 N GLU A 22 2.284 2.912 -4.471 1.00 0.00 N ATOM 274 CA GLU A 22 2.682 1.587 -4.005 1.00 0.00 C ATOM 275 C GLU A 22 2.502 1.464 -2.495 1.00 0.00 C ATOM 276 O GLU A 22 2.228 0.380 -1.979 1.00 0.00 O ATOM 277 CB GLU A 22 4.137 1.307 -4.386 1.00 0.00 C ATOM 278 CG GLU A 22 4.335 -0.026 -5.089 1.00 0.00 C ATOM 279 CD GLU A 22 5.062 0.114 -6.413 1.00 0.00 C ATOM 280 OE1 GLU A 22 6.243 0.519 -6.403 1.00 0.00 O ATOM 281 OE2 GLU A 22 4.448 -0.180 -7.461 1.00 0.00 O ATOM 0 H GLU A 22 3.018 3.425 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 22 2.040 0.850 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.495 2.107 -5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.750 1.328 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.898 -0.695 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.364 -0.490 -5.260 1.00 0.00 H new ATOM 288 N PHE A 23 2.659 2.580 -1.791 1.00 0.00 N ATOM 289 CA PHE A 23 2.516 2.595 -0.339 1.00 0.00 C ATOM 290 C PHE A 23 1.212 3.270 0.072 1.00 0.00 C ATOM 291 O PHE A 23 0.605 2.911 1.081 1.00 0.00 O ATOM 292 CB PHE A 23 3.701 3.316 0.304 1.00 0.00 C ATOM 293 CG PHE A 23 5.026 2.669 0.019 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.173 1.294 0.103 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.124 3.437 -0.333 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.390 0.696 -0.159 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.345 2.844 -0.595 1.00 0.00 C ATOM 298 CZ PHE A 23 7.479 1.472 -0.509 1.00 0.00 C ATOM 0 H PHE A 23 2.885 3.486 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 23 2.496 1.562 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.725 4.346 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.550 3.355 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.326 0.683 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.025 4.510 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.491 -0.377 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.194 3.454 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.432 1.007 -0.715 1.00 0.00 H new ATOM 308 N LEU A 24 0.786 4.252 -0.717 1.00 0.00 N ATOM 309 CA LEU A 24 -0.445 4.980 -0.434 1.00 0.00 C ATOM 310 C LEU A 24 -1.667 4.101 -0.677 1.00 0.00 C ATOM 311 O LEU A 24 -1.707 3.324 -1.631 1.00 0.00 O ATOM 312 CB LEU A 24 -0.528 6.238 -1.301 1.00 0.00 C ATOM 313 CG LEU A 24 0.563 7.277 -1.040 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.680 8.233 -2.217 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.275 8.040 0.243 1.00 0.00 C ATOM 0 H LEU A 24 1.275 4.561 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.432 5.270 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.483 5.942 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.500 6.706 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 24 1.514 6.758 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.461 8.966 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.933 7.673 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.270 8.747 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.061 8.775 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.685 8.549 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.242 7.344 1.081 1.00 0.00 H new ATOM 327 N ASP A 25 -2.664 4.231 0.192 1.00 0.00 N ATOM 328 CA ASP A 25 -3.890 3.449 0.072 1.00 0.00 C ATOM 329 C ASP A 25 -4.718 3.923 -1.122 1.00 0.00 C ATOM 330 O ASP A 25 -4.808 5.122 -1.386 1.00 0.00 O ATOM 331 CB ASP A 25 -4.715 3.560 1.356 1.00 0.00 C ATOM 332 CG ASP A 25 -5.447 2.273 1.686 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.779 1.294 2.080 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.688 2.245 1.551 1.00 0.00 O ATOM 0 H ASP A 25 -2.647 4.870 0.987 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.617 2.406 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.058 3.824 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.438 4.369 1.252 1.00 0.00 H new ATOM 339 N PRO A 26 -5.337 2.987 -1.863 1.00 0.00 N ATOM 340 CA PRO A 26 -6.157 3.324 -3.030 1.00 0.00 C ATOM 341 C PRO A 26 -7.435 4.063 -2.648 1.00 0.00 C ATOM 342 O PRO A 26 -7.992 4.814 -3.449 1.00 0.00 O ATOM 343 CB PRO A 26 -6.491 1.961 -3.642 1.00 0.00 C ATOM 344 CG PRO A 26 -6.374 0.997 -2.513 1.00 0.00 C ATOM 345 CD PRO A 26 -5.286 1.532 -1.624 1.00 0.00 C ATOM 0 HA PRO A 26 -5.633 3.994 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.495 1.953 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.802 1.710 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.316 0.915 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.127 -0.001 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.467 1.290 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.313 1.116 -1.884 1.00 0.00 H new ATOM 353 N ILE A 27 -7.897 3.845 -1.421 1.00 0.00 N ATOM 354 CA ILE A 27 -9.111 4.490 -0.936 1.00 0.00 C ATOM 355 C ILE A 27 -8.786 5.597 0.062 1.00 0.00 C ATOM 356 O ILE A 27 -9.225 6.736 -0.094 1.00 0.00 O ATOM 357 CB ILE A 27 -10.059 3.476 -0.269 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.244 2.251 -1.166 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.401 4.125 0.035 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.002 1.124 -0.500 1.00 0.00 C ATOM 0 H ILE A 27 -7.449 3.227 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.607 4.922 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.614 3.150 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.774 2.550 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.265 1.886 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.060 3.395 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.253 4.969 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.853 4.477 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.096 0.289 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.462 0.798 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.995 1.472 -0.215 1.00 0.00 H new ATOM 372 N MET A 28 -8.015 5.253 1.089 1.00 0.00 N ATOM 373 CA MET A 28 -7.632 6.218 2.114 1.00 0.00 C ATOM 374 C MET A 28 -6.674 7.265 1.553 1.00 0.00 C ATOM 375 O MET A 28 -6.627 8.397 2.033 1.00 0.00 O ATOM 376 CB MET A 28 -6.985 5.502 3.301 1.00 0.00 C ATOM 377 CG MET A 28 -7.821 4.356 3.849 1.00 0.00 C ATOM 378 SD MET A 28 -8.356 4.630 5.549 1.00 0.00 S ATOM 379 CE MET A 28 -9.236 6.181 5.380 1.00 0.00 C ATOM 0 H MET A 28 -7.643 4.314 1.234 1.00 0.00 H new ATOM 0 HA MET A 28 -8.535 6.726 2.451 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.012 5.117 2.996 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.807 6.224 4.098 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.697 4.216 3.216 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.242 3.434 3.800 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.976 6.268 6.176 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.530 7.009 5.448 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.738 6.211 4.413 1.00 0.00 H new ATOM 389 N SER A 29 -5.910 6.879 0.535 1.00 0.00 N ATOM 390 CA SER A 29 -4.954 7.788 -0.087 1.00 0.00 C ATOM 391 C SER A 29 -3.889 8.227 0.913 1.00 0.00 C ATOM 392 O SER A 29 -3.376 9.344 0.839 1.00 0.00 O ATOM 393 CB SER A 29 -5.674 9.012 -0.654 1.00 0.00 C ATOM 394 OG SER A 29 -4.812 9.775 -1.481 1.00 0.00 O ATOM 0 H SER A 29 -5.934 5.945 0.125 1.00 0.00 H new ATOM 0 HA SER A 29 -4.463 7.255 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.544 8.692 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.042 9.632 0.163 1.00 0.00 H new ATOM 0 HG SER A 29 -3.979 9.963 -1.000 1.00 0.00 H new ATOM 400 N THR A 30 -3.562 7.341 1.849 1.00 0.00 N ATOM 401 CA THR A 30 -2.558 7.637 2.864 1.00 0.00 C ATOM 402 C THR A 30 -1.545 6.502 2.974 1.00 0.00 C ATOM 403 O THR A 30 -1.743 5.425 2.413 1.00 0.00 O ATOM 404 CB THR A 30 -3.228 7.873 4.219 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.273 6.939 4.431 1.00 0.00 O ATOM 406 CG2 THR A 30 -3.815 9.260 4.364 1.00 0.00 C ATOM 0 H THR A 30 -3.978 6.413 1.925 1.00 0.00 H new ATOM 0 HA THR A 30 -2.030 8.543 2.565 1.00 0.00 H new ATOM 0 HB THR A 30 -2.435 7.754 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.688 7.105 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.274 9.360 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.025 10.003 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.570 9.418 3.594 1.00 0.00 H new ATOM 414 N LEU A 31 -0.460 6.753 3.701 1.00 0.00 N ATOM 415 CA LEU A 31 0.585 5.751 3.885 1.00 0.00 C ATOM 416 C LEU A 31 0.019 4.483 4.517 1.00 0.00 C ATOM 417 O LEU A 31 -0.763 4.546 5.465 1.00 0.00 O ATOM 418 CB LEU A 31 1.710 6.312 4.757 1.00 0.00 C ATOM 419 CG LEU A 31 3.094 5.720 4.487 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.648 6.241 3.170 1.00 0.00 C ATOM 421 CD2 LEU A 31 4.043 6.044 5.631 1.00 0.00 C ATOM 0 H LEU A 31 -0.282 7.640 4.172 1.00 0.00 H new ATOM 0 HA LEU A 31 0.987 5.497 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.758 7.391 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.457 6.143 5.804 1.00 0.00 H new ATOM 0 HG LEU A 31 2.998 4.637 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.633 5.810 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.978 5.960 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.730 7.327 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.023 5.615 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.134 7.125 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.653 5.624 6.558 1.00 0.00 H new ATOM 433 N MET A 32 0.418 3.333 3.985 1.00 0.00 N ATOM 434 CA MET A 32 -0.050 2.051 4.497 1.00 0.00 C ATOM 435 C MET A 32 0.985 1.420 5.423 1.00 0.00 C ATOM 436 O MET A 32 2.184 1.456 5.146 1.00 0.00 O ATOM 437 CB MET A 32 -0.362 1.099 3.341 1.00 0.00 C ATOM 438 CG MET A 32 -1.602 1.485 2.551 1.00 0.00 C ATOM 439 SD MET A 32 -2.154 0.175 1.441 1.00 0.00 S ATOM 440 CE MET A 32 -0.835 0.180 0.229 1.00 0.00 C ATOM 0 H MET A 32 1.065 3.263 3.199 1.00 0.00 H new ATOM 0 HA MET A 32 -0.960 2.230 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.493 1.068 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.493 0.092 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.407 1.732 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.393 2.384 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.068 -0.529 -0.565 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.734 1.179 -0.195 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.101 -0.107 0.709 1.00 0.00 H new ATOM 450 N CYS A 33 0.514 0.844 6.523 1.00 0.00 N ATOM 451 CA CYS A 33 1.399 0.203 7.490 1.00 0.00 C ATOM 452 C CYS A 33 1.327 -1.315 7.367 1.00 0.00 C ATOM 453 O CYS A 33 2.340 -2.007 7.478 1.00 0.00 O ATOM 454 CB CYS A 33 1.029 0.630 8.911 1.00 0.00 C ATOM 455 SG CYS A 33 1.922 2.088 9.500 1.00 0.00 S ATOM 0 H CYS A 33 -0.475 0.807 6.768 1.00 0.00 H new ATOM 0 HA CYS A 33 2.420 0.519 7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.041 0.832 8.951 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.222 -0.200 9.590 1.00 0.00 H new ATOM 0 HG CYS A 33 1.539 2.372 10.709 1.00 0.00 H new ATOM 461 N ASP A 34 0.123 -1.828 7.136 1.00 0.00 N ATOM 462 CA ASP A 34 -0.083 -3.264 6.996 1.00 0.00 C ATOM 463 C ASP A 34 -1.012 -3.566 5.822 1.00 0.00 C ATOM 464 O ASP A 34 -2.188 -3.878 6.013 1.00 0.00 O ATOM 465 CB ASP A 34 -0.666 -3.846 8.286 1.00 0.00 C ATOM 466 CG ASP A 34 0.378 -3.998 9.374 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.171 -3.053 9.574 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.404 -5.062 10.029 1.00 0.00 O ATOM 0 H ASP A 34 -0.725 -1.270 7.042 1.00 0.00 H new ATOM 0 HA ASP A 34 0.884 -3.728 6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.468 -3.200 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.111 -4.818 8.074 1.00 0.00 H new ATOM 473 N PRO A 35 -0.493 -3.476 4.585 1.00 0.00 N ATOM 474 CA PRO A 35 -1.281 -3.739 3.377 1.00 0.00 C ATOM 475 C PRO A 35 -1.632 -5.214 3.222 1.00 0.00 C ATOM 476 O PRO A 35 -0.750 -6.070 3.166 1.00 0.00 O ATOM 477 CB PRO A 35 -0.355 -3.288 2.245 1.00 0.00 C ATOM 478 CG PRO A 35 1.018 -3.421 2.803 1.00 0.00 C ATOM 479 CD PRO A 35 0.900 -3.108 4.270 1.00 0.00 C ATOM 0 HA PRO A 35 -2.239 -3.220 3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.483 -3.908 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.564 -2.260 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.406 -4.428 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.707 -2.735 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.612 -3.683 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.094 -2.055 4.473 1.00 0.00 H new ATOM 487 N VAL A 36 -2.927 -5.503 3.149 1.00 0.00 N ATOM 488 CA VAL A 36 -3.398 -6.874 2.997 1.00 0.00 C ATOM 489 C VAL A 36 -3.843 -7.144 1.563 1.00 0.00 C ATOM 490 O VAL A 36 -4.497 -6.309 0.939 1.00 0.00 O ATOM 491 CB VAL A 36 -4.569 -7.176 3.951 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.094 -7.184 5.396 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.691 -6.168 3.757 1.00 0.00 C ATOM 0 H VAL A 36 -3.669 -4.805 3.193 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.561 -7.526 3.246 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.957 -8.167 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.936 -7.399 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.329 -7.950 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.677 -6.209 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.509 -6.398 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.318 -5.165 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.051 -6.218 2.729 1.00 0.00 H new ATOM 503 N VAL A 37 -3.484 -8.315 1.047 1.00 0.00 N ATOM 504 CA VAL A 37 -3.845 -8.692 -0.314 1.00 0.00 C ATOM 505 C VAL A 37 -5.240 -9.307 -0.361 1.00 0.00 C ATOM 506 O VAL A 37 -5.513 -10.304 0.307 1.00 0.00 O ATOM 507 CB VAL A 37 -2.837 -9.693 -0.908 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.100 -9.899 -2.392 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.411 -9.219 -0.672 1.00 0.00 C ATOM 0 H VAL A 37 -2.944 -9.018 1.551 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.831 -7.778 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.964 -10.651 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.378 -10.609 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.109 -10.288 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.002 -8.947 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.713 -9.939 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.267 -8.249 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.230 -9.129 0.399 1.00 0.00 H new ATOM 519 N LEU A 38 -6.119 -8.706 -1.157 1.00 0.00 N ATOM 520 CA LEU A 38 -7.486 -9.197 -1.294 1.00 0.00 C ATOM 521 C LEU A 38 -7.549 -10.350 -2.296 1.00 0.00 C ATOM 522 O LEU A 38 -7.163 -10.193 -3.453 1.00 0.00 O ATOM 523 CB LEU A 38 -8.413 -8.064 -1.742 1.00 0.00 C ATOM 524 CG LEU A 38 -8.438 -6.844 -0.820 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.780 -5.587 -1.606 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.432 -7.054 0.313 1.00 0.00 C ATOM 0 H LEU A 38 -5.909 -7.879 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.816 -9.564 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.111 -7.741 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.426 -8.457 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.445 -6.718 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.793 -4.729 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.031 -5.428 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.761 -5.702 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.437 -6.177 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.429 -7.206 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.143 -7.930 0.893 1.00 0.00 H new ATOM 538 N PRO A 39 -8.037 -11.528 -1.866 1.00 0.00 N ATOM 539 CA PRO A 39 -8.141 -12.702 -2.739 1.00 0.00 C ATOM 540 C PRO A 39 -9.281 -12.590 -3.749 1.00 0.00 C ATOM 541 O PRO A 39 -9.451 -13.462 -4.600 1.00 0.00 O ATOM 542 CB PRO A 39 -8.409 -13.844 -1.759 1.00 0.00 C ATOM 543 CG PRO A 39 -9.101 -13.196 -0.610 1.00 0.00 C ATOM 544 CD PRO A 39 -8.520 -11.813 -0.499 1.00 0.00 C ATOM 0 HA PRO A 39 -7.245 -12.835 -3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.030 -14.617 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.482 -14.323 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.177 -13.154 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.942 -13.760 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.269 -11.088 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.709 -11.776 0.229 1.00 0.00 H new ATOM 552 N SER A 40 -10.064 -11.518 -3.651 1.00 0.00 N ATOM 553 CA SER A 40 -11.185 -11.308 -4.559 1.00 0.00 C ATOM 554 C SER A 40 -10.829 -10.302 -5.651 1.00 0.00 C ATOM 555 O SER A 40 -10.691 -10.663 -6.820 1.00 0.00 O ATOM 556 CB SER A 40 -12.412 -10.826 -3.781 1.00 0.00 C ATOM 557 OG SER A 40 -13.467 -11.769 -3.856 1.00 0.00 O ATOM 0 H SER A 40 -9.942 -10.784 -2.953 1.00 0.00 H new ATOM 0 HA SER A 40 -11.415 -12.260 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.143 -10.659 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.747 -9.869 -4.181 1.00 0.00 H new ATOM 0 HG SER A 40 -14.238 -11.438 -3.350 1.00 0.00 H new ATOM 563 N SER A 41 -10.689 -9.040 -5.263 1.00 0.00 N ATOM 564 CA SER A 41 -10.356 -7.980 -6.210 1.00 0.00 C ATOM 565 C SER A 41 -8.866 -7.975 -6.550 1.00 0.00 C ATOM 566 O SER A 41 -8.437 -7.280 -7.471 1.00 0.00 O ATOM 567 CB SER A 41 -10.761 -6.619 -5.642 1.00 0.00 C ATOM 568 OG SER A 41 -9.939 -6.257 -4.547 1.00 0.00 O ATOM 0 H SER A 41 -10.801 -8.725 -4.299 1.00 0.00 H new ATOM 0 HA SER A 41 -10.911 -8.172 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.688 -5.860 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.803 -6.650 -5.324 1.00 0.00 H new ATOM 0 HG SER A 41 -10.024 -6.928 -3.838 1.00 0.00 H new ATOM 574 N ARG A 42 -8.080 -8.750 -5.807 1.00 0.00 N ATOM 575 CA ARG A 42 -6.641 -8.821 -6.041 1.00 0.00 C ATOM 576 C ARG A 42 -5.992 -7.455 -5.850 1.00 0.00 C ATOM 577 O ARG A 42 -4.986 -7.140 -6.487 1.00 0.00 O ATOM 578 CB ARG A 42 -6.357 -9.342 -7.451 1.00 0.00 C ATOM 579 CG ARG A 42 -6.403 -10.859 -7.560 1.00 0.00 C ATOM 580 CD ARG A 42 -7.494 -11.319 -8.514 1.00 0.00 C ATOM 581 NE ARG A 42 -8.221 -12.476 -7.996 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.750 -13.721 -8.024 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.554 -13.974 -8.543 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.475 -14.715 -7.532 1.00 0.00 N ATOM 0 H ARG A 42 -8.414 -9.335 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.213 -9.511 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.084 -8.914 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.374 -8.993 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.438 -11.229 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.576 -11.290 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.192 -10.500 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.051 -11.571 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.143 -12.321 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.991 -13.213 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.198 -14.930 -8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.394 -14.526 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.114 -15.669 -7.554 1.00 0.00 H new ATOM 598 N VAL A 43 -6.572 -6.647 -4.969 1.00 0.00 N ATOM 599 CA VAL A 43 -6.050 -5.314 -4.694 1.00 0.00 C ATOM 600 C VAL A 43 -5.389 -5.259 -3.320 1.00 0.00 C ATOM 601 O VAL A 43 -5.756 -6.006 -2.413 1.00 0.00 O ATOM 602 CB VAL A 43 -7.162 -4.249 -4.760 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.577 -2.852 -4.619 1.00 0.00 C ATOM 604 CG2 VAL A 43 -7.947 -4.376 -6.058 1.00 0.00 C ATOM 0 H VAL A 43 -7.404 -6.892 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.308 -5.099 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.847 -4.416 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.379 -2.115 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.065 -2.767 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.868 -2.671 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.728 -3.616 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.275 -4.238 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.401 -5.365 -6.113 1.00 0.00 H new ATOM 614 N THR A 44 -4.413 -4.369 -3.174 1.00 0.00 N ATOM 615 CA THR A 44 -3.701 -4.218 -1.910 1.00 0.00 C ATOM 616 C THR A 44 -4.237 -3.027 -1.122 1.00 0.00 C ATOM 617 O THR A 44 -4.174 -1.886 -1.579 1.00 0.00 O ATOM 618 CB THR A 44 -2.202 -4.042 -2.163 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.841 -4.568 -3.428 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.338 -4.720 -1.122 1.00 0.00 C ATOM 0 H THR A 44 -4.097 -3.742 -3.914 1.00 0.00 H new ATOM 0 HA THR A 44 -3.861 -5.122 -1.322 1.00 0.00 H new ATOM 0 HB THR A 44 -2.025 -2.967 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.879 -4.444 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.287 -4.557 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.557 -4.302 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.547 -5.790 -1.116 1.00 0.00 H new ATOM 628 N VAL A 45 -4.764 -3.301 0.068 1.00 0.00 N ATOM 629 CA VAL A 45 -5.311 -2.255 0.921 1.00 0.00 C ATOM 630 C VAL A 45 -4.941 -2.489 2.382 1.00 0.00 C ATOM 631 O VAL A 45 -4.709 -3.623 2.800 1.00 0.00 O ATOM 632 CB VAL A 45 -6.845 -2.173 0.800 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.247 -1.728 -0.598 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.480 -3.512 1.144 1.00 0.00 C ATOM 0 H VAL A 45 -4.823 -4.240 0.462 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.877 -1.314 0.583 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.208 -1.431 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.334 -1.676 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.823 -0.745 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.873 -2.444 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.563 -3.435 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.112 -4.276 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.220 -3.786 2.167 1.00 0.00 H new ATOM 644 N ASP A 46 -4.886 -1.409 3.154 1.00 0.00 N ATOM 645 CA ASP A 46 -4.543 -1.495 4.570 1.00 0.00 C ATOM 646 C ASP A 46 -5.501 -2.424 5.308 1.00 0.00 C ATOM 647 O ASP A 46 -6.691 -2.480 4.998 1.00 0.00 O ATOM 648 CB ASP A 46 -4.567 -0.103 5.207 1.00 0.00 C ATOM 649 CG ASP A 46 -3.192 0.358 5.648 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.324 -0.507 5.891 1.00 0.00 O ATOM 651 OD2 ASP A 46 -2.981 1.585 5.749 1.00 0.00 O ATOM 0 H ASP A 46 -5.075 -0.463 2.823 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.537 -1.906 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.975 0.613 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.237 -0.112 6.067 1.00 0.00 H new ATOM 656 N ARG A 47 -4.974 -3.153 6.288 1.00 0.00 N ATOM 657 CA ARG A 47 -5.783 -4.079 7.073 1.00 0.00 C ATOM 658 C ARG A 47 -6.925 -3.344 7.767 1.00 0.00 C ATOM 659 O ARG A 47 -8.002 -3.904 7.974 1.00 0.00 O ATOM 660 CB ARG A 47 -4.916 -4.796 8.109 1.00 0.00 C ATOM 661 CG ARG A 47 -5.445 -6.169 8.499 1.00 0.00 C ATOM 662 CD ARG A 47 -5.895 -6.209 9.952 1.00 0.00 C ATOM 663 NE ARG A 47 -5.030 -7.056 10.771 1.00 0.00 N ATOM 664 CZ ARG A 47 -4.974 -6.994 12.099 1.00 0.00 C ATOM 665 NH1 ARG A 47 -5.729 -6.128 12.763 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.160 -7.800 12.766 1.00 0.00 N ATOM 0 H ARG A 47 -3.991 -3.120 6.557 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.208 -4.819 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.906 -4.904 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.844 -4.176 9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.281 -6.434 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.669 -6.917 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.901 -5.197 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.919 -6.579 10.004 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.434 -7.735 10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.357 -5.505 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.681 -6.086 13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.577 -8.467 12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.117 -7.753 13.784 1.00 0.00 H new ATOM 680 N SER A 48 -6.682 -2.087 8.121 1.00 0.00 N ATOM 681 CA SER A 48 -7.691 -1.273 8.791 1.00 0.00 C ATOM 682 C SER A 48 -8.668 -0.684 7.779 1.00 0.00 C ATOM 683 O SER A 48 -9.846 -0.487 8.080 1.00 0.00 O ATOM 684 CB SER A 48 -7.025 -0.150 9.588 1.00 0.00 C ATOM 685 OG SER A 48 -7.728 0.109 10.790 1.00 0.00 O ATOM 0 H SER A 48 -5.796 -1.609 7.956 1.00 0.00 H new ATOM 0 HA SER A 48 -8.245 -1.914 9.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.995 -0.424 9.817 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.987 0.756 8.983 1.00 0.00 H new ATOM 0 HG SER A 48 -7.281 0.829 11.282 1.00 0.00 H new ATOM 691 N THR A 49 -8.173 -0.407 6.577 1.00 0.00 N ATOM 692 CA THR A 49 -9.002 0.158 5.519 1.00 0.00 C ATOM 693 C THR A 49 -10.105 -0.815 5.119 1.00 0.00 C ATOM 694 O THR A 49 -11.224 -0.407 4.806 1.00 0.00 O ATOM 695 CB THR A 49 -8.145 0.506 4.301 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.090 1.381 4.663 1.00 0.00 O ATOM 697 CG2 THR A 49 -8.929 1.167 3.188 1.00 0.00 C ATOM 0 H THR A 49 -7.201 -0.565 6.311 1.00 0.00 H new ATOM 0 HA THR A 49 -9.464 1.069 5.899 1.00 0.00 H new ATOM 0 HB THR A 49 -7.760 -0.446 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.408 2.014 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.262 1.388 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.720 0.496 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.370 2.094 3.555 1.00 0.00 H new ATOM 705 N ILE A 50 -9.781 -2.103 5.133 1.00 0.00 N ATOM 706 CA ILE A 50 -10.743 -3.137 4.774 1.00 0.00 C ATOM 707 C ILE A 50 -11.704 -3.412 5.926 1.00 0.00 C ATOM 708 O ILE A 50 -12.868 -3.749 5.710 1.00 0.00 O ATOM 709 CB ILE A 50 -10.035 -4.449 4.377 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.057 -5.490 3.914 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.213 -4.984 5.540 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.761 -5.117 2.628 1.00 0.00 C ATOM 0 H ILE A 50 -8.859 -2.456 5.389 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.306 -2.767 3.917 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.359 -4.240 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.553 -6.447 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.801 -5.630 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.721 -5.910 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.461 -4.248 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.868 -5.178 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.470 -5.901 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.294 -4.176 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.027 -5.005 1.830 1.00 0.00 H new ATOM 724 N ALA A 51 -11.209 -3.262 7.151 1.00 0.00 N ATOM 725 CA ALA A 51 -12.024 -3.492 8.338 1.00 0.00 C ATOM 726 C ALA A 51 -13.248 -2.584 8.345 1.00 0.00 C ATOM 727 O ALA A 51 -14.360 -3.026 8.636 1.00 0.00 O ATOM 728 CB ALA A 51 -11.195 -3.278 9.595 1.00 0.00 C ATOM 0 H ALA A 51 -10.248 -2.982 7.347 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.372 -4.525 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.815 -3.453 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.355 -3.973 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.820 -2.255 9.613 1.00 0.00 H new ATOM 734 N ARG A 52 -13.037 -1.312 8.022 1.00 0.00 N ATOM 735 CA ARG A 52 -14.125 -0.342 7.989 1.00 0.00 C ATOM 736 C ARG A 52 -15.179 -0.749 6.965 1.00 0.00 C ATOM 737 O ARG A 52 -16.372 -0.512 7.157 1.00 0.00 O ATOM 738 CB ARG A 52 -13.587 1.050 7.658 1.00 0.00 C ATOM 739 CG ARG A 52 -14.490 2.180 8.126 1.00 0.00 C ATOM 740 CD ARG A 52 -13.965 2.823 9.400 1.00 0.00 C ATOM 741 NE ARG A 52 -14.089 1.934 10.552 1.00 0.00 N ATOM 742 CZ ARG A 52 -13.655 2.238 11.774 1.00 0.00 C ATOM 743 NH1 ARG A 52 -13.069 3.407 12.005 1.00 0.00 N ATOM 744 NH2 ARG A 52 -13.807 1.373 12.766 1.00 0.00 N ATOM 0 H ARG A 52 -12.123 -0.929 7.780 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.589 -0.317 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.605 1.169 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.449 1.130 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.567 2.934 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.495 1.796 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.919 3.096 9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.513 3.745 9.593 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.534 1.027 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.950 4.077 11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.738 3.635 12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.257 0.474 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.474 1.606 13.702 1.00 0.00 H new ATOM 758 N HIS A 53 -14.728 -1.366 5.878 1.00 0.00 N ATOM 759 CA HIS A 53 -15.628 -1.811 4.821 1.00 0.00 C ATOM 760 C HIS A 53 -16.319 -3.117 5.206 1.00 0.00 C ATOM 761 O HIS A 53 -17.403 -3.425 4.711 1.00 0.00 O ATOM 762 CB HIS A 53 -14.857 -1.996 3.513 1.00 0.00 C ATOM 763 CG HIS A 53 -15.740 -2.184 2.319 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.733 -1.304 1.953 1.00 0.00 N ATOM 765 CD2 HIS A 53 -15.764 -3.181 1.399 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.319 -1.783 0.846 1.00 0.00 C ATOM 767 NE2 HIS A 53 -16.766 -2.920 0.469 1.00 0.00 N ATOM 0 H HIS A 53 -13.743 -1.569 5.706 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.391 -1.045 4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.220 -1.127 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.199 -2.860 3.608 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.979 -0.441 2.438 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.110 -4.040 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.137 -1.301 0.331 1.00 0.00 H new ATOM 775 N LEU A 54 -15.683 -3.879 6.092 1.00 0.00 N ATOM 776 CA LEU A 54 -16.237 -5.151 6.543 1.00 0.00 C ATOM 777 C LEU A 54 -16.988 -4.984 7.861 1.00 0.00 C ATOM 778 O LEU A 54 -17.049 -5.907 8.672 1.00 0.00 O ATOM 779 CB LEU A 54 -15.122 -6.186 6.706 1.00 0.00 C ATOM 780 CG LEU A 54 -14.346 -6.510 5.428 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.206 -7.471 5.726 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.276 -7.091 4.375 1.00 0.00 C ATOM 0 H LEU A 54 -14.785 -3.638 6.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.941 -5.499 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.420 -5.825 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.557 -7.108 7.092 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.921 -5.585 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.665 -7.690 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.526 -7.017 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.608 -8.396 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.708 -7.316 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.730 -8.006 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.058 -6.368 4.141 1.00 0.00 H new ATOM 794 N LEU A 55 -17.561 -3.802 8.067 1.00 0.00 N ATOM 795 CA LEU A 55 -18.307 -3.517 9.286 1.00 0.00 C ATOM 796 C LEU A 55 -19.720 -4.087 9.204 1.00 0.00 C ATOM 797 O LEU A 55 -20.075 -5.003 9.945 1.00 0.00 O ATOM 798 CB LEU A 55 -18.368 -2.007 9.531 1.00 0.00 C ATOM 799 CG LEU A 55 -17.107 -1.402 10.151 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.165 0.117 10.101 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.936 -1.884 11.584 1.00 0.00 C ATOM 0 H LEU A 55 -17.522 -3.027 7.405 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.789 -3.993 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.564 -1.508 8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.214 -1.794 10.184 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.244 -1.731 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.260 0.531 10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.241 0.444 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.035 0.466 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.034 -1.444 12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.801 -1.583 12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.850 -2.971 11.595 1.00 0.00 H new ATOM 813 N SER A 56 -20.522 -3.538 8.296 1.00 0.00 N ATOM 814 CA SER A 56 -21.896 -3.992 8.116 1.00 0.00 C ATOM 815 C SER A 56 -22.003 -4.941 6.926 1.00 0.00 C ATOM 816 O SER A 56 -22.716 -5.943 6.982 1.00 0.00 O ATOM 817 CB SER A 56 -22.828 -2.796 7.914 1.00 0.00 C ATOM 818 OG SER A 56 -23.178 -2.207 9.154 1.00 0.00 O ATOM 0 H SER A 56 -20.244 -2.779 7.674 1.00 0.00 H new ATOM 0 HA SER A 56 -22.196 -4.530 9.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.341 -2.055 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.730 -3.118 7.393 1.00 0.00 H new ATOM 0 HG SER A 56 -23.773 -1.444 8.997 1.00 0.00 H new ATOM 824 N ASP A 57 -21.290 -4.619 5.852 1.00 0.00 N ATOM 825 CA ASP A 57 -21.306 -5.443 4.649 1.00 0.00 C ATOM 826 C ASP A 57 -19.967 -6.146 4.454 1.00 0.00 C ATOM 827 O ASP A 57 -19.041 -5.588 3.866 1.00 0.00 O ATOM 828 CB ASP A 57 -21.627 -4.586 3.423 1.00 0.00 C ATOM 829 CG ASP A 57 -23.010 -3.967 3.497 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.987 -4.719 3.693 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.114 -2.730 3.361 1.00 0.00 O ATOM 0 H ASP A 57 -20.694 -3.794 5.790 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.081 -6.201 4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.882 -3.795 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.554 -5.199 2.525 1.00 0.00 H new ATOM 836 N GLN A 58 -19.872 -7.375 4.952 1.00 0.00 N ATOM 837 CA GLN A 58 -18.646 -8.155 4.834 1.00 0.00 C ATOM 838 C GLN A 58 -18.375 -8.523 3.378 1.00 0.00 C ATOM 839 O GLN A 58 -18.633 -9.648 2.952 1.00 0.00 O ATOM 840 CB GLN A 58 -18.739 -9.423 5.684 1.00 0.00 C ATOM 841 CG GLN A 58 -18.202 -9.249 7.095 1.00 0.00 C ATOM 842 CD GLN A 58 -19.303 -9.201 8.136 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.813 -10.235 8.567 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.677 -7.994 8.547 1.00 0.00 N ATOM 0 H GLN A 58 -20.630 -7.852 5.441 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.819 -7.544 5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.781 -9.740 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.187 -10.223 5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.524 -10.071 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.618 -8.330 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.228 -7.163 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.414 -7.899 9.246 1.00 0.00 H new ATOM 853 N THR A 59 -17.851 -7.565 2.619 1.00 0.00 N ATOM 854 CA THR A 59 -17.545 -7.787 1.210 1.00 0.00 C ATOM 855 C THR A 59 -16.377 -6.914 0.764 1.00 0.00 C ATOM 856 O THR A 59 -15.811 -6.163 1.559 1.00 0.00 O ATOM 857 CB THR A 59 -18.772 -7.494 0.348 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.470 -6.362 0.836 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.752 -8.647 0.290 1.00 0.00 C ATOM 0 H THR A 59 -17.630 -6.628 2.956 1.00 0.00 H new ATOM 0 HA THR A 59 -17.263 -8.833 1.085 1.00 0.00 H new ATOM 0 HB THR A 59 -18.384 -7.316 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.331 -6.284 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.600 -8.373 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.258 -9.524 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.105 -8.876 1.296 1.00 0.00 H new ATOM 867 N ASP A 60 -16.020 -7.017 -0.512 1.00 0.00 N ATOM 868 CA ASP A 60 -14.919 -6.236 -1.063 1.00 0.00 C ATOM 869 C ASP A 60 -15.421 -4.900 -1.607 1.00 0.00 C ATOM 870 O ASP A 60 -16.522 -4.816 -2.150 1.00 0.00 O ATOM 871 CB ASP A 60 -14.213 -7.022 -2.171 1.00 0.00 C ATOM 872 CG ASP A 60 -12.902 -7.624 -1.706 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.921 -6.866 -1.555 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.856 -8.854 -1.493 1.00 0.00 O ATOM 0 H ASP A 60 -16.477 -7.634 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.208 -6.037 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.870 -7.817 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.027 -6.362 -3.019 1.00 0.00 H new ATOM 879 N PRO A 61 -14.618 -3.831 -1.467 1.00 0.00 N ATOM 880 CA PRO A 61 -14.989 -2.497 -1.947 1.00 0.00 C ATOM 881 C PRO A 61 -14.887 -2.369 -3.465 1.00 0.00 C ATOM 882 O PRO A 61 -15.405 -1.418 -4.051 1.00 0.00 O ATOM 883 CB PRO A 61 -13.971 -1.585 -1.265 1.00 0.00 C ATOM 884 CG PRO A 61 -12.771 -2.444 -1.067 1.00 0.00 C ATOM 885 CD PRO A 61 -13.286 -3.839 -0.829 1.00 0.00 C ATOM 0 HA PRO A 61 -16.026 -2.256 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.740 -0.717 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.350 -1.208 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.122 -2.413 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.180 -2.097 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.633 -4.589 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.352 -4.066 0.235 1.00 0.00 H new ATOM 893 N PHE A 62 -14.216 -3.328 -4.098 1.00 0.00 N ATOM 894 CA PHE A 62 -14.049 -3.311 -5.548 1.00 0.00 C ATOM 895 C PHE A 62 -14.825 -4.448 -6.205 1.00 0.00 C ATOM 896 O PHE A 62 -15.559 -4.235 -7.170 1.00 0.00 O ATOM 897 CB PHE A 62 -12.567 -3.415 -5.912 1.00 0.00 C ATOM 898 CG PHE A 62 -11.677 -2.537 -5.079 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.633 -1.169 -5.296 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.885 -3.081 -4.081 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.816 -0.359 -4.530 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.065 -2.275 -3.313 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.031 -0.913 -3.538 1.00 0.00 C ATOM 0 H PHE A 62 -13.781 -4.124 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.445 -2.366 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.247 -4.451 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.441 -3.153 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.244 -0.731 -6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.908 -4.146 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.792 0.706 -4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.452 -2.710 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.391 -0.282 -2.939 1.00 0.00 H new ATOM 913 N ASN A 63 -14.653 -5.659 -5.682 1.00 0.00 N ATOM 914 CA ASN A 63 -15.333 -6.830 -6.225 1.00 0.00 C ATOM 915 C ASN A 63 -16.760 -6.937 -5.690 1.00 0.00 C ATOM 916 O ASN A 63 -17.648 -7.456 -6.366 1.00 0.00 O ATOM 917 CB ASN A 63 -14.550 -8.101 -5.887 1.00 0.00 C ATOM 918 CG ASN A 63 -14.216 -8.918 -7.120 1.00 0.00 C ATOM 919 OD1 ASN A 63 -14.156 -8.391 -8.229 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.998 -10.215 -6.929 1.00 0.00 N ATOM 0 H ASN A 63 -14.049 -5.854 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.383 -6.718 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.628 -7.831 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.133 -8.711 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.770 -10.816 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.059 -10.610 -5.990 1.00 0.00 H new ATOM 927 N ARG A 64 -16.972 -6.447 -4.473 1.00 0.00 N ATOM 928 CA ARG A 64 -18.292 -6.493 -3.852 1.00 0.00 C ATOM 929 C ARG A 64 -18.741 -7.936 -3.641 1.00 0.00 C ATOM 930 O ARG A 64 -19.935 -8.238 -3.688 1.00 0.00 O ATOM 931 CB ARG A 64 -19.314 -5.747 -4.712 1.00 0.00 C ATOM 932 CG ARG A 64 -20.241 -4.845 -3.911 1.00 0.00 C ATOM 933 CD ARG A 64 -20.997 -5.627 -2.849 1.00 0.00 C ATOM 934 NE ARG A 64 -21.438 -4.770 -1.749 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.533 -4.013 -1.792 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.297 -3.998 -2.876 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.862 -3.267 -0.746 1.00 0.00 N ATOM 0 H ARG A 64 -16.249 -6.014 -3.898 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.226 -6.005 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.785 -5.146 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.913 -6.473 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.661 -4.053 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.950 -4.362 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.863 -6.110 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.358 -6.419 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.874 -4.751 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -23.047 -4.569 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -24.134 -3.416 -2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -22.277 -3.274 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -23.700 -2.687 -0.777 1.00 0.00 H new ATOM 951 N SER A 65 -17.779 -8.822 -3.407 1.00 0.00 N ATOM 952 CA SER A 65 -18.072 -10.233 -3.188 1.00 0.00 C ATOM 953 C SER A 65 -17.905 -10.599 -1.715 1.00 0.00 C ATOM 954 O SER A 65 -17.330 -9.835 -0.940 1.00 0.00 O ATOM 955 CB SER A 65 -17.157 -11.103 -4.052 1.00 0.00 C ATOM 956 OG SER A 65 -17.821 -11.532 -5.229 1.00 0.00 O ATOM 0 H SER A 65 -16.787 -8.587 -3.364 1.00 0.00 H new ATOM 0 HA SER A 65 -19.108 -10.415 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.263 -10.541 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.828 -11.970 -3.480 1.00 0.00 H new ATOM 0 HG SER A 65 -17.214 -12.085 -5.764 1.00 0.00 H new ATOM 962 N PRO A 66 -18.407 -11.778 -1.306 1.00 0.00 N ATOM 963 CA PRO A 66 -18.306 -12.239 0.083 1.00 0.00 C ATOM 964 C PRO A 66 -16.859 -12.353 0.548 1.00 0.00 C ATOM 965 O PRO A 66 -16.138 -13.266 0.148 1.00 0.00 O ATOM 966 CB PRO A 66 -18.974 -13.621 0.062 1.00 0.00 C ATOM 967 CG PRO A 66 -18.994 -14.027 -1.372 1.00 0.00 C ATOM 968 CD PRO A 66 -19.105 -12.754 -2.159 1.00 0.00 C ATOM 0 HA PRO A 66 -18.777 -11.541 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.416 -14.337 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.983 -13.576 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.088 -14.572 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.835 -14.689 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.636 -12.843 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -20.144 -12.473 -2.328 1.00 0.00 H new ATOM 976 N LEU A 67 -16.441 -11.416 1.394 1.00 0.00 N ATOM 977 CA LEU A 67 -15.079 -11.408 1.914 1.00 0.00 C ATOM 978 C LEU A 67 -15.073 -11.170 3.420 1.00 0.00 C ATOM 979 O LEU A 67 -15.950 -10.491 3.955 1.00 0.00 O ATOM 980 CB LEU A 67 -14.251 -10.330 1.211 1.00 0.00 C ATOM 981 CG LEU A 67 -12.820 -10.169 1.729 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.932 -11.283 1.197 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.264 -8.808 1.339 1.00 0.00 C ATOM 0 H LEU A 67 -17.026 -10.653 1.734 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.635 -12.384 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.212 -10.561 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.767 -9.375 1.311 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.837 -10.235 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.918 -11.152 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.321 -12.247 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.920 -11.250 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.246 -8.710 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.261 -8.714 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.887 -8.024 1.769 1.00 0.00 H new ATOM 995 N THR A 68 -14.080 -11.734 4.100 1.00 0.00 N ATOM 996 CA THR A 68 -13.960 -11.582 5.545 1.00 0.00 C ATOM 997 C THR A 68 -12.553 -11.137 5.932 1.00 0.00 C ATOM 998 O THR A 68 -11.628 -11.198 5.122 1.00 0.00 O ATOM 999 CB THR A 68 -14.303 -12.898 6.247 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.935 -14.005 5.443 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.773 -13.035 6.574 1.00 0.00 C ATOM 0 H THR A 68 -13.347 -12.300 3.673 1.00 0.00 H new ATOM 0 HA THR A 68 -14.664 -10.813 5.864 1.00 0.00 H new ATOM 0 HB THR A 68 -13.740 -12.884 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.161 -14.837 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.948 -13.990 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.076 -12.222 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.356 -12.992 5.654 1.00 0.00 H new ATOM 1009 N MET A 69 -12.400 -10.691 7.174 1.00 0.00 N ATOM 1010 CA MET A 69 -11.106 -10.235 7.669 1.00 0.00 C ATOM 1011 C MET A 69 -10.089 -11.372 7.665 1.00 0.00 C ATOM 1012 O MET A 69 -8.886 -11.142 7.530 1.00 0.00 O ATOM 1013 CB MET A 69 -11.248 -9.667 9.082 1.00 0.00 C ATOM 1014 CG MET A 69 -9.998 -8.959 9.582 1.00 0.00 C ATOM 1015 SD MET A 69 -10.301 -7.238 10.030 1.00 0.00 S ATOM 1016 CE MET A 69 -10.279 -6.460 8.418 1.00 0.00 C ATOM 0 H MET A 69 -13.156 -10.635 7.857 1.00 0.00 H new ATOM 0 HA MET A 69 -10.748 -9.450 7.004 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.084 -8.968 9.101 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.495 -10.478 9.767 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.606 -9.492 10.449 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.230 -8.999 8.810 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.745 -5.512 8.479 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.777 -7.114 7.705 1.00 0.00 H new ATOM 0 HE3 MET A 69 -11.302 -6.280 8.087 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.577 -12.599 7.816 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.709 -13.771 7.830 1.00 0.00 C ATOM 1028 C ASP A 70 -9.258 -14.133 6.418 1.00 0.00 C ATOM 1029 O ASP A 70 -8.164 -14.660 6.221 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.433 -14.959 8.471 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.796 -15.387 9.778 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -10.196 -14.858 10.836 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -8.896 -16.254 9.743 1.00 0.00 O ATOM 0 H ASP A 70 -11.569 -12.808 7.930 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.825 -13.532 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.475 -14.693 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.432 -15.799 7.777 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.111 -13.848 5.438 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.800 -14.145 4.044 1.00 0.00 C ATOM 1040 C GLN A 71 -8.552 -13.393 3.592 1.00 0.00 C ATOM 1041 O GLN A 71 -7.583 -14.000 3.134 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.984 -13.779 3.148 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.024 -14.882 3.034 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.050 -14.607 1.952 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.247 -14.522 2.222 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.583 -14.467 0.717 1.00 0.00 N ATOM 0 H GLN A 71 -11.022 -13.412 5.584 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.606 -15.214 3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.461 -12.880 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.614 -13.536 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.524 -15.827 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.533 -14.997 3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.582 -14.545 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.225 -14.281 -0.053 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.583 -12.070 3.721 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.454 -11.237 3.325 1.00 0.00 C ATOM 1057 C ILE A 72 -6.188 -11.628 4.079 1.00 0.00 C ATOM 1058 O ILE A 72 -6.245 -12.017 5.247 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.743 -9.744 3.571 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.156 -9.515 5.025 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.825 -9.250 2.623 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.018 -9.053 5.910 1.00 0.00 C ATOM 0 H ILE A 72 -9.378 -11.553 4.097 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.302 -11.400 2.258 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.832 -9.177 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.954 -8.773 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.566 -10.441 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.018 -8.193 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.494 -9.382 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.740 -9.820 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.383 -8.910 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.229 -9.805 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.622 -8.111 5.531 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.046 -11.524 3.407 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.766 -11.867 4.015 1.00 0.00 C ATOM 1076 C ARG A 73 -2.807 -10.679 3.977 1.00 0.00 C ATOM 1077 O ARG A 73 -2.872 -9.848 3.073 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.141 -13.065 3.297 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.984 -14.329 3.375 1.00 0.00 C ATOM 1080 CD ARG A 73 -4.653 -14.640 2.044 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.077 -15.821 1.405 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.327 -17.069 1.795 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -5.141 -17.304 2.817 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.762 -18.086 1.159 1.00 0.00 N ATOM 0 H ARG A 73 -4.981 -11.205 2.440 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.947 -12.130 5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.982 -12.808 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.160 -13.265 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.355 -15.168 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.745 -14.212 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.720 -14.797 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.553 -13.782 1.379 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.447 -15.681 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.580 -16.526 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.328 -18.263 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.137 -17.912 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.953 -19.043 1.457 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.899 -10.586 4.965 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.924 -9.493 5.040 1.00 0.00 C ATOM 1100 C PRO A 74 0.155 -9.605 3.970 1.00 0.00 C ATOM 1101 O PRO A 74 0.821 -10.634 3.850 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.315 -9.658 6.434 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.472 -11.106 6.744 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.753 -11.536 6.085 1.00 0.00 C ATOM 0 HA PRO A 74 -1.387 -8.520 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.734 -9.362 6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.830 -9.038 7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.373 -11.680 6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.512 -11.272 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.697 -12.566 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.597 -11.479 6.772 1.00 0.00 H new ATOM 1112 N ASN A 75 0.324 -8.540 3.194 1.00 0.00 N ATOM 1113 CA ASN A 75 1.325 -8.517 2.134 1.00 0.00 C ATOM 1114 C ASN A 75 2.719 -8.286 2.707 1.00 0.00 C ATOM 1115 O ASN A 75 3.199 -7.154 2.763 1.00 0.00 O ATOM 1116 CB ASN A 75 0.994 -7.426 1.114 1.00 0.00 C ATOM 1117 CG ASN A 75 1.587 -7.713 -0.252 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.216 -8.749 -0.463 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.390 -6.792 -1.187 1.00 0.00 N ATOM 0 H ASN A 75 -0.220 -7.681 3.279 1.00 0.00 H new ATOM 0 HA ASN A 75 1.312 -9.487 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.088 -7.332 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.368 -6.468 1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.767 -6.929 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.862 -5.947 -0.968 1.00 0.00 H new ATOM 1126 N THR A 76 3.366 -9.367 3.132 1.00 0.00 N ATOM 1127 CA THR A 76 4.705 -9.282 3.702 1.00 0.00 C ATOM 1128 C THR A 76 5.690 -8.699 2.693 1.00 0.00 C ATOM 1129 O THR A 76 6.597 -7.950 3.057 1.00 0.00 O ATOM 1130 CB THR A 76 5.179 -10.665 4.152 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.074 -11.516 4.403 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.024 -10.629 5.407 1.00 0.00 C ATOM 0 H THR A 76 2.984 -10.312 3.092 1.00 0.00 H new ATOM 0 HA THR A 76 4.663 -8.620 4.567 1.00 0.00 H new ATOM 0 HB THR A 76 5.791 -11.042 3.332 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.864 -12.027 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.327 -11.642 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.910 -10.020 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.444 -10.199 6.224 1.00 0.00 H new ATOM 1140 N GLU A 77 5.504 -9.046 1.424 1.00 0.00 N ATOM 1141 CA GLU A 77 6.374 -8.556 0.361 1.00 0.00 C ATOM 1142 C GLU A 77 6.295 -7.038 0.250 1.00 0.00 C ATOM 1143 O GLU A 77 7.278 -6.377 -0.086 1.00 0.00 O ATOM 1144 CB GLU A 77 5.996 -9.198 -0.974 1.00 0.00 C ATOM 1145 CG GLU A 77 6.705 -10.517 -1.236 1.00 0.00 C ATOM 1146 CD GLU A 77 6.697 -10.901 -2.704 1.00 0.00 C ATOM 1147 OE1 GLU A 77 5.601 -10.935 -3.302 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.787 -11.166 -3.254 1.00 0.00 O ATOM 0 H GLU A 77 4.758 -9.665 1.106 1.00 0.00 H new ATOM 0 HA GLU A 77 7.399 -8.831 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.919 -9.363 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.229 -8.503 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.736 -10.447 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.225 -11.305 -0.655 1.00 0.00 H new ATOM 1155 N LEU A 78 5.117 -6.489 0.533 1.00 0.00 N ATOM 1156 CA LEU A 78 4.908 -5.047 0.464 1.00 0.00 C ATOM 1157 C LEU A 78 5.256 -4.384 1.793 1.00 0.00 C ATOM 1158 O LEU A 78 5.855 -3.309 1.823 1.00 0.00 O ATOM 1159 CB LEU A 78 3.458 -4.737 0.091 1.00 0.00 C ATOM 1160 CG LEU A 78 3.176 -3.273 -0.250 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.816 -2.902 -1.578 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.678 -3.013 -0.285 1.00 0.00 C ATOM 0 H LEU A 78 4.293 -7.021 0.812 1.00 0.00 H new ATOM 0 HA LEU A 78 5.567 -4.646 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.179 -5.353 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.815 -5.031 0.920 1.00 0.00 H new ATOM 0 HG LEU A 78 3.614 -2.647 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.605 -1.857 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.894 -3.049 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.408 -3.534 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.496 -1.966 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.216 -3.648 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.247 -3.238 0.690 1.00 0.00 H new ATOM 1174 N LYS A 79 4.875 -5.032 2.890 1.00 0.00 N ATOM 1175 CA LYS A 79 5.145 -4.505 4.223 1.00 0.00 C ATOM 1176 C LYS A 79 6.635 -4.237 4.415 1.00 0.00 C ATOM 1177 O LYS A 79 7.023 -3.312 5.128 1.00 0.00 O ATOM 1178 CB LYS A 79 4.652 -5.483 5.291 1.00 0.00 C ATOM 1179 CG LYS A 79 4.493 -4.855 6.666 1.00 0.00 C ATOM 1180 CD LYS A 79 5.013 -5.772 7.763 1.00 0.00 C ATOM 1181 CE LYS A 79 5.641 -4.981 8.898 1.00 0.00 C ATOM 1182 NZ LYS A 79 6.479 -5.842 9.778 1.00 0.00 N ATOM 0 H LYS A 79 4.378 -5.923 2.882 1.00 0.00 H new ATOM 0 HA LYS A 79 4.609 -3.562 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.694 -5.897 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.352 -6.316 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.030 -3.907 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.441 -4.632 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.194 -6.379 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.749 -6.459 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.253 -4.179 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.856 -4.511 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.889 -5.265 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.890 -6.593 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.244 -6.271 9.218 1.00 0.00 H new ATOM 1196 N GLU A 80 7.465 -5.051 3.771 1.00 0.00 N ATOM 1197 CA GLU A 80 8.912 -4.901 3.869 1.00 0.00 C ATOM 1198 C GLU A 80 9.383 -3.671 3.100 1.00 0.00 C ATOM 1199 O GLU A 80 10.373 -3.038 3.467 1.00 0.00 O ATOM 1200 CB GLU A 80 9.614 -6.151 3.336 1.00 0.00 C ATOM 1201 CG GLU A 80 9.486 -7.357 4.253 1.00 0.00 C ATOM 1202 CD GLU A 80 10.764 -8.171 4.325 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.177 -8.721 3.283 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.351 -8.258 5.425 1.00 0.00 O ATOM 0 H GLU A 80 7.160 -5.821 3.176 1.00 0.00 H new ATOM 0 HA GLU A 80 9.169 -4.771 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.200 -6.402 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.671 -5.929 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.216 -7.021 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.674 -7.993 3.901 1.00 0.00 H new ATOM 1211 N LYS A 81 8.667 -3.338 2.031 1.00 0.00 N ATOM 1212 CA LYS A 81 9.011 -2.183 1.210 1.00 0.00 C ATOM 1213 C LYS A 81 8.662 -0.883 1.927 1.00 0.00 C ATOM 1214 O LYS A 81 9.329 0.136 1.745 1.00 0.00 O ATOM 1215 CB LYS A 81 8.280 -2.250 -0.133 1.00 0.00 C ATOM 1216 CG LYS A 81 8.604 -3.496 -0.940 1.00 0.00 C ATOM 1217 CD LYS A 81 8.477 -3.242 -2.435 1.00 0.00 C ATOM 1218 CE LYS A 81 9.839 -3.067 -3.088 1.00 0.00 C ATOM 1219 NZ LYS A 81 10.613 -1.955 -2.471 1.00 0.00 N ATOM 0 H LYS A 81 7.845 -3.852 1.713 1.00 0.00 H new ATOM 0 HA LYS A 81 10.086 -2.202 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.205 -2.212 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.537 -1.369 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.617 -3.826 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.933 -4.304 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.952 -4.075 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.874 -2.350 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.405 -3.995 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.709 -2.871 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.490 -1.802 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.043 -1.085 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.848 -2.199 -1.488 1.00 0.00 H new ATOM 1233 N ILE A 82 7.616 -0.927 2.746 1.00 0.00 N ATOM 1234 CA ILE A 82 7.181 0.248 3.493 1.00 0.00 C ATOM 1235 C ILE A 82 8.166 0.584 4.606 1.00 0.00 C ATOM 1236 O ILE A 82 8.446 1.753 4.869 1.00 0.00 O ATOM 1237 CB ILE A 82 5.781 0.040 4.104 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.798 -0.440 3.035 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.286 1.328 4.746 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.479 -0.918 3.600 1.00 0.00 C ATOM 0 H ILE A 82 7.054 -1.763 2.909 1.00 0.00 H new ATOM 0 HA ILE A 82 7.139 1.076 2.786 1.00 0.00 H new ATOM 0 HB ILE A 82 5.850 -0.726 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.611 0.373 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.257 -1.250 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.296 1.165 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.976 1.630 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.231 2.113 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.831 -1.243 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.655 -1.752 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.999 -0.103 4.142 1.00 0.00 H new ATOM 1252 N GLN A 83 8.691 -0.451 5.257 1.00 0.00 N ATOM 1253 CA GLN A 83 9.647 -0.264 6.343 1.00 0.00 C ATOM 1254 C GLN A 83 11.007 0.162 5.801 1.00 0.00 C ATOM 1255 O GLN A 83 11.727 0.930 6.439 1.00 0.00 O ATOM 1256 CB GLN A 83 9.789 -1.555 7.152 1.00 0.00 C ATOM 1257 CG GLN A 83 8.458 -2.202 7.502 1.00 0.00 C ATOM 1258 CD GLN A 83 8.223 -2.284 8.998 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.134 -2.591 9.766 1.00 0.00 O ATOM 1260 NE2 GLN A 83 6.995 -2.007 9.419 1.00 0.00 N ATOM 0 H GLN A 83 8.471 -1.425 5.051 1.00 0.00 H new ATOM 0 HA GLN A 83 9.271 0.525 6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.391 -2.265 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.332 -1.340 8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.650 -1.633 7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.423 -3.205 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.270 -1.757 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.777 -2.044 10.415 1.00 0.00 H new ATOM 1269 N ARG A 84 11.352 -0.342 4.620 1.00 0.00 N ATOM 1270 CA ARG A 84 12.627 -0.013 3.992 1.00 0.00 C ATOM 1271 C ARG A 84 12.661 1.452 3.568 1.00 0.00 C ATOM 1272 O ARG A 84 13.677 2.131 3.722 1.00 0.00 O ATOM 1273 CB ARG A 84 12.870 -0.916 2.780 1.00 0.00 C ATOM 1274 CG ARG A 84 14.232 -1.592 2.790 1.00 0.00 C ATOM 1275 CD ARG A 84 15.358 -0.583 2.609 1.00 0.00 C ATOM 1276 NE ARG A 84 16.459 -0.821 3.538 1.00 0.00 N ATOM 1277 CZ ARG A 84 17.688 -0.336 3.371 1.00 0.00 C ATOM 1278 NH1 ARG A 84 17.975 0.413 2.313 1.00 0.00 N ATOM 1279 NH2 ARG A 84 18.632 -0.600 4.264 1.00 0.00 N ATOM 0 H ARG A 84 10.767 -0.979 4.079 1.00 0.00 H new ATOM 0 HA ARG A 84 13.419 -0.179 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.094 -1.681 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.774 -0.323 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.368 -2.125 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.276 -2.335 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.730 -0.634 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.970 0.425 2.757 1.00 0.00 H new ATOM 0 HE ARG A 84 16.276 -1.392 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.253 0.620 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.918 0.782 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.417 -1.175 5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.573 -0.229 4.136 1.00 0.00 H new ATOM 1293 N TRP A 85 11.542 1.934 3.035 1.00 0.00 N ATOM 1294 CA TRP A 85 11.444 3.320 2.590 1.00 0.00 C ATOM 1295 C TRP A 85 11.428 4.273 3.781 1.00 0.00 C ATOM 1296 O TRP A 85 12.190 5.238 3.826 1.00 0.00 O ATOM 1297 CB TRP A 85 10.182 3.516 1.745 1.00 0.00 C ATOM 1298 CG TRP A 85 9.985 4.930 1.288 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.715 5.598 0.348 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.991 5.850 1.755 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.236 6.878 0.201 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.179 7.057 1.054 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.962 5.771 2.697 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.375 8.173 1.267 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.164 6.881 2.907 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.374 8.068 2.194 1.00 0.00 C ATOM 0 H TRP A 85 10.692 1.386 2.901 1.00 0.00 H new ATOM 0 HA TRP A 85 12.319 3.545 1.981 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.233 2.864 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.313 3.205 2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.547 5.182 -0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.607 7.580 -0.439 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.793 4.860 3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.536 9.090 0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.366 6.832 3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.733 8.917 2.380 1.00 0.00 H new ATOM 1317 N LEU A 86 10.554 3.995 4.745 1.00 0.00 N ATOM 1318 CA LEU A 86 10.437 4.828 5.939 1.00 0.00 C ATOM 1319 C LEU A 86 11.795 5.028 6.606 1.00 0.00 C ATOM 1320 O LEU A 86 12.035 6.046 7.254 1.00 0.00 O ATOM 1321 CB LEU A 86 9.458 4.197 6.931 1.00 0.00 C ATOM 1322 CG LEU A 86 7.992 4.588 6.731 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.076 3.602 7.439 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.745 6.002 7.233 1.00 0.00 C ATOM 0 H LEU A 86 9.916 3.199 4.723 1.00 0.00 H new ATOM 0 HA LEU A 86 10.059 5.803 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.542 3.112 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.758 4.475 7.941 1.00 0.00 H new ATOM 0 HG LEU A 86 7.770 4.558 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.038 3.896 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.234 2.603 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.299 3.600 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.698 6.264 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.985 6.058 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.376 6.699 6.681 1.00 0.00 H new ATOM 1336 N ALA A 87 12.681 4.051 6.440 1.00 0.00 N ATOM 1337 CA ALA A 87 14.015 4.121 7.025 1.00 0.00 C ATOM 1338 C ALA A 87 14.955 4.947 6.153 1.00 0.00 C ATOM 1339 O ALA A 87 15.901 5.557 6.649 1.00 0.00 O ATOM 1340 CB ALA A 87 14.574 2.722 7.230 1.00 0.00 C ATOM 0 H ALA A 87 12.499 3.202 5.905 1.00 0.00 H new ATOM 0 HA ALA A 87 13.935 4.614 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.570 2.789 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.920 2.164 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.633 2.209 6.270 1.00 0.00 H new ATOM 1346 N GLU A 88 14.688 4.962 4.850 1.00 0.00 N ATOM 1347 CA GLU A 88 15.513 5.712 3.910 1.00 0.00 C ATOM 1348 C GLU A 88 15.044 7.161 3.808 1.00 0.00 C ATOM 1349 O GLU A 88 15.842 8.090 3.927 1.00 0.00 O ATOM 1350 CB GLU A 88 15.477 5.054 2.530 1.00 0.00 C ATOM 1351 CG GLU A 88 16.243 3.743 2.462 1.00 0.00 C ATOM 1352 CD GLU A 88 16.741 3.430 1.065 1.00 0.00 C ATOM 1353 OE1 GLU A 88 15.899 3.262 0.158 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.973 3.353 0.878 1.00 0.00 O ATOM 0 H GLU A 88 13.908 4.464 4.422 1.00 0.00 H new ATOM 0 HA GLU A 88 16.538 5.707 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.439 4.874 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.890 5.745 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.092 3.787 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.600 2.932 2.804 1.00 0.00 H new ATOM 1361 N ARG A 89 13.747 7.344 3.587 1.00 0.00 N ATOM 1362 CA ARG A 89 13.173 8.681 3.468 1.00 0.00 C ATOM 1363 C ARG A 89 13.436 9.501 4.728 1.00 0.00 C ATOM 1364 O ARG A 89 13.578 10.722 4.667 1.00 0.00 O ATOM 1365 CB ARG A 89 11.669 8.594 3.207 1.00 0.00 C ATOM 1366 CG ARG A 89 10.921 7.749 4.226 1.00 0.00 C ATOM 1367 CD ARG A 89 9.684 8.464 4.748 1.00 0.00 C ATOM 1368 NE ARG A 89 10.024 9.671 5.498 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.193 10.278 6.341 1.00 0.00 C ATOM 1370 NH1 ARG A 89 7.974 9.796 6.545 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.581 11.372 6.982 1.00 0.00 N ATOM 0 H ARG A 89 13.073 6.585 3.487 1.00 0.00 H new ATOM 0 HA ARG A 89 13.652 9.179 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.250 9.600 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.505 8.179 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.630 6.802 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.583 7.512 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.038 8.728 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.117 7.787 5.388 1.00 0.00 H new ATOM 0 HE ARG A 89 10.953 10.072 5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.669 8.955 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.342 10.266 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.517 11.748 6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.944 11.837 7.628 1.00 0.00 H new ATOM 1385 N LYS A 90 13.499 8.820 5.867 1.00 0.00 N ATOM 1386 CA LYS A 90 13.746 9.486 7.141 1.00 0.00 C ATOM 1387 C LYS A 90 15.221 9.845 7.289 1.00 0.00 C ATOM 1388 O LYS A 90 15.922 9.305 8.147 1.00 0.00 O ATOM 1389 CB LYS A 90 13.305 8.590 8.302 1.00 0.00 C ATOM 1390 CG LYS A 90 11.827 8.711 8.635 1.00 0.00 C ATOM 1391 CD LYS A 90 11.558 8.389 10.096 1.00 0.00 C ATOM 1392 CE LYS A 90 11.059 6.963 10.269 1.00 0.00 C ATOM 1393 NZ LYS A 90 9.665 6.798 9.771 1.00 0.00 N ATOM 0 H LYS A 90 13.383 7.809 5.934 1.00 0.00 H new ATOM 0 HA LYS A 90 13.164 10.407 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.530 7.552 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.890 8.841 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.485 9.722 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.253 8.035 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.471 8.529 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.819 9.085 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.719 6.280 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.103 6.688 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.456 5.786 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.000 7.210 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.564 7.282 8.856 1.00 0.00 H new ATOM 1407 N GLN A 91 15.688 10.761 6.446 1.00 0.00 N ATOM 1408 CA GLN A 91 17.080 11.193 6.481 1.00 0.00 C ATOM 1409 C GLN A 91 17.186 12.700 6.262 1.00 0.00 C ATOM 1410 O GLN A 91 16.735 13.222 5.243 1.00 0.00 O ATOM 1411 CB GLN A 91 17.892 10.453 5.417 1.00 0.00 C ATOM 1412 CG GLN A 91 18.143 8.992 5.753 1.00 0.00 C ATOM 1413 CD GLN A 91 19.571 8.730 6.194 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.238 7.835 5.679 1.00 0.00 O ATOM 1415 NE2 GLN A 91 20.045 9.515 7.155 1.00 0.00 N ATOM 0 H GLN A 91 15.122 11.218 5.731 1.00 0.00 H new ATOM 0 HA GLN A 91 17.484 10.957 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.367 10.513 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.849 10.957 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.460 8.683 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.918 8.379 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.456 10.246 7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 91 20.998 9.387 7.494 1.00 0.00 H new ATOM 1424 N GLN A 92 17.786 13.392 7.224 1.00 0.00 N ATOM 1425 CA GLN A 92 17.952 14.838 7.137 1.00 0.00 C ATOM 1426 C GLN A 92 19.414 15.206 6.895 1.00 0.00 C ATOM 1427 O GLN A 92 19.712 16.212 6.252 1.00 0.00 O ATOM 1428 CB GLN A 92 17.450 15.509 8.417 1.00 0.00 C ATOM 1429 CG GLN A 92 15.989 15.925 8.353 1.00 0.00 C ATOM 1430 CD GLN A 92 15.739 17.019 7.334 1.00 0.00 C ATOM 1431 OE1 GLN A 92 15.474 16.623 6.095 1.00 0.00 O flip ATOM 1432 NE2 GLN A 92 15.783 18.206 7.657 1.00 0.00 N flip ATOM 0 H GLN A 92 18.166 12.975 8.074 1.00 0.00 H new ATOM 0 HA GLN A 92 17.362 15.195 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 92 17.588 14.825 9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 92 18.061 16.388 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.378 15.057 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.670 16.270 9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.990 18.465 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.612 18.931 6.960 1.00 0.00 H new ATOM 1441 N SER A 93 20.319 14.384 7.415 1.00 0.00 N ATOM 1442 CA SER A 93 21.749 14.624 7.256 1.00 0.00 C ATOM 1443 C SER A 93 22.258 14.026 5.947 1.00 0.00 C ATOM 1444 O SER A 93 23.183 13.213 5.940 1.00 0.00 O ATOM 1445 CB SER A 93 22.521 14.032 8.437 1.00 0.00 C ATOM 1446 OG SER A 93 23.605 14.868 8.807 1.00 0.00 O ATOM 0 H SER A 93 20.088 13.547 7.950 1.00 0.00 H new ATOM 0 HA SER A 93 21.912 15.701 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 93 21.850 13.903 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 93 22.894 13.043 8.173 1.00 0.00 H new ATOM 0 HG SER A 93 24.082 14.469 9.565 1.00 0.00 H new ATOM 1452 N GLY A 94 21.648 14.435 4.839 1.00 0.00 N ATOM 1453 CA GLY A 94 22.052 13.931 3.541 1.00 0.00 C ATOM 1454 C GLY A 94 20.909 13.917 2.543 1.00 0.00 C ATOM 1455 O GLY A 94 19.756 14.131 2.914 1.00 0.00 O ATOM 0 H GLY A 94 20.881 15.107 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.863 14.547 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.445 12.920 3.653 1.00 0.00 H new ATOM 1459 N PRO A 95 21.201 13.665 1.254 1.00 0.00 N ATOM 1460 CA PRO A 95 20.176 13.627 0.207 1.00 0.00 C ATOM 1461 C PRO A 95 19.261 12.415 0.335 1.00 0.00 C ATOM 1462 O PRO A 95 19.722 11.298 0.572 1.00 0.00 O ATOM 1463 CB PRO A 95 20.992 13.547 -1.086 1.00 0.00 C ATOM 1464 CG PRO A 95 22.282 12.924 -0.680 1.00 0.00 C ATOM 1465 CD PRO A 95 22.550 13.399 0.721 1.00 0.00 C ATOM 0 HA PRO A 95 19.512 14.490 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.482 12.947 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 95 21.148 14.536 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.219 11.836 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 95 23.087 13.220 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 95 23.073 12.644 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 95 23.170 14.296 0.730 1.00 0.00 H new ATOM 1473 N SER A 96 17.961 12.642 0.176 1.00 0.00 N ATOM 1474 CA SER A 96 16.980 11.568 0.275 1.00 0.00 C ATOM 1475 C SER A 96 16.863 10.815 -1.046 1.00 0.00 C ATOM 1476 O SER A 96 17.347 9.690 -1.176 1.00 0.00 O ATOM 1477 CB SER A 96 15.615 12.132 0.675 1.00 0.00 C ATOM 1478 OG SER A 96 15.468 12.162 2.084 1.00 0.00 O ATOM 0 H SER A 96 17.563 13.560 -0.022 1.00 0.00 H new ATOM 0 HA SER A 96 17.317 10.871 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 96 15.502 13.139 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 96 14.824 11.523 0.237 1.00 0.00 H new ATOM 0 HG SER A 96 14.588 12.528 2.313 1.00 0.00 H new ATOM 1484 N SER A 97 16.219 11.443 -2.025 1.00 0.00 N ATOM 1485 CA SER A 97 16.038 10.832 -3.336 1.00 0.00 C ATOM 1486 C SER A 97 17.376 10.673 -4.052 1.00 0.00 C ATOM 1487 O SER A 97 18.021 11.657 -4.410 1.00 0.00 O ATOM 1488 CB SER A 97 15.088 11.675 -4.188 1.00 0.00 C ATOM 1489 OG SER A 97 15.397 13.054 -4.085 1.00 0.00 O ATOM 0 H SER A 97 15.814 12.375 -1.935 1.00 0.00 H new ATOM 0 HA SER A 97 15.604 9.843 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.154 11.361 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.060 11.505 -3.868 1.00 0.00 H new ATOM 0 HG SER A 97 16.367 13.177 -4.145 1.00 0.00 H new ATOM 1495 N GLY A 98 17.786 9.425 -4.255 1.00 0.00 N ATOM 1496 CA GLY A 98 19.045 9.159 -4.926 1.00 0.00 C ATOM 1497 C GLY A 98 19.019 7.863 -5.714 1.00 0.00 C ATOM 1498 O GLY A 98 19.114 6.786 -5.088 1.00 0.00 O ATOM 1499 OXT GLY A 98 18.904 7.926 -6.956 1.00 0.00 O ATOM 0 H GLY A 98 17.269 8.594 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.277 9.985 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 98 19.845 9.116 -4.187 1.00 0.00 H new TER 1503 GLY A 98