USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.53) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0191 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.177) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.019 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= -0.213 (180deg=-0.766) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0573 K(o=-0.057,f=-1.8!) USER MOD Single : A 51 THR OG1 : rot 149:sc= 0.453! USER MOD Single : A 57 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -170:sc= -1.8! USER MOD Single : A 71 GLN :FLIP amide:sc= -0.111 F(o=-0.94,f=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 59:sc= 0.103 USER MOD Single : A 75 HIS : no HD1:sc= -0.726 X(o=-0.73,f=-0.34) USER MOD Single : A 77 THR OG1 : rot -101:sc= -0.259 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.154) USER MOD Single : A 80 SER OG : rot 61:sc= 0.028 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -16.237 21.238 11.941 1.00 0.00 N ATOM 2 CA HIS A 8 -15.979 22.567 12.565 1.00 0.00 C ATOM 3 C HIS A 8 -14.595 23.065 12.149 1.00 0.00 C ATOM 4 O HIS A 8 -13.663 22.297 12.010 1.00 0.00 O ATOM 5 CB HIS A 8 -16.038 22.434 14.088 1.00 0.00 C ATOM 6 CG HIS A 8 -16.950 23.492 14.649 1.00 0.00 C ATOM 7 ND1 HIS A 8 -18.141 23.842 14.033 1.00 0.00 N ATOM 8 CD2 HIS A 8 -16.859 24.283 15.767 1.00 0.00 C ATOM 9 CE1 HIS A 8 -18.714 24.805 14.778 1.00 0.00 C ATOM 10 NE2 HIS A 8 -17.974 25.111 15.847 1.00 0.00 N ATOM 0 HA HIS A 8 -16.735 23.278 12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.400 21.443 14.363 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.039 22.538 14.512 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -16.045 24.265 16.477 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -19.658 25.274 14.540 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -18.182 25.803 16.567 1.00 0.00 H new ATOM 20 N MET A 9 -14.450 24.347 11.949 1.00 0.00 N ATOM 21 CA MET A 9 -13.125 24.894 11.543 1.00 0.00 C ATOM 22 C MET A 9 -12.445 25.533 12.755 1.00 0.00 C ATOM 23 O MET A 9 -13.095 25.993 13.673 1.00 0.00 O ATOM 24 CB MET A 9 -13.322 25.948 10.451 1.00 0.00 C ATOM 25 CG MET A 9 -14.469 26.880 10.842 1.00 0.00 C ATOM 26 SD MET A 9 -14.175 28.524 10.142 1.00 0.00 S ATOM 27 CE MET A 9 -15.028 28.259 8.570 1.00 0.00 C ATOM 0 H MET A 9 -15.193 25.039 12.049 1.00 0.00 H new ATOM 0 HA MET A 9 -12.500 24.088 11.160 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.405 26.521 10.314 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.541 25.464 9.499 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.416 26.482 10.478 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.547 26.944 11.927 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.970 29.165 7.967 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.556 27.436 8.034 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.074 28.016 8.760 1.00 0.00 H new ATOM 37 N VAL A 10 -11.141 25.567 12.766 1.00 0.00 N ATOM 38 CA VAL A 10 -10.421 26.177 13.920 1.00 0.00 C ATOM 39 C VAL A 10 -9.121 26.818 13.431 1.00 0.00 C ATOM 40 O VAL A 10 -8.054 26.250 13.551 1.00 0.00 O ATOM 41 CB VAL A 10 -10.098 25.092 14.948 1.00 0.00 C ATOM 42 CG1 VAL A 10 -9.686 25.745 16.270 1.00 0.00 C ATOM 43 CG2 VAL A 10 -11.337 24.222 15.177 1.00 0.00 C ATOM 0 H VAL A 10 -10.543 25.199 12.026 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.051 26.939 14.379 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.280 24.474 14.577 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.456 24.971 17.002 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.805 26.366 16.110 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.503 26.363 16.641 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.108 23.448 15.910 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.154 24.842 15.547 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.633 23.756 14.237 1.00 0.00 H new ATOM 53 N GLU A 11 -9.202 27.999 12.881 1.00 0.00 N ATOM 54 CA GLU A 11 -7.970 28.675 12.385 1.00 0.00 C ATOM 55 C GLU A 11 -7.410 29.581 13.484 1.00 0.00 C ATOM 56 O GLU A 11 -6.872 30.637 13.217 1.00 0.00 O ATOM 57 CB GLU A 11 -8.311 29.518 11.154 1.00 0.00 C ATOM 58 CG GLU A 11 -7.798 28.815 9.896 1.00 0.00 C ATOM 59 CD GLU A 11 -7.654 29.832 8.763 1.00 0.00 C ATOM 60 OE1 GLU A 11 -7.828 31.010 9.027 1.00 0.00 O ATOM 61 OE2 GLU A 11 -7.374 29.416 7.651 1.00 0.00 O ATOM 0 H GLU A 11 -10.067 28.524 12.754 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.226 27.925 12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.389 29.664 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.860 30.506 11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.837 28.342 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.488 28.024 9.602 1.00 0.00 H new ATOM 68 N GLU A 12 -7.531 29.175 14.719 1.00 0.00 N ATOM 69 CA GLU A 12 -7.004 30.012 15.833 1.00 0.00 C ATOM 70 C GLU A 12 -5.550 29.631 16.115 1.00 0.00 C ATOM 71 O GLU A 12 -4.977 30.023 17.112 1.00 0.00 O ATOM 72 CB GLU A 12 -7.846 29.778 17.089 1.00 0.00 C ATOM 73 CG GLU A 12 -8.840 30.928 17.259 1.00 0.00 C ATOM 74 CD GLU A 12 -8.219 32.014 18.139 1.00 0.00 C ATOM 75 OE1 GLU A 12 -7.186 31.751 18.730 1.00 0.00 O ATOM 76 OE2 GLU A 12 -8.789 33.092 18.206 1.00 0.00 O ATOM 0 H GLU A 12 -7.972 28.300 15.004 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.055 31.064 15.552 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.380 28.831 17.011 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.201 29.709 17.965 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.104 31.341 16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.762 30.562 17.711 1.00 0.00 H new ATOM 83 N VAL A 13 -4.948 28.868 15.244 1.00 0.00 N ATOM 84 CA VAL A 13 -3.530 28.463 15.463 1.00 0.00 C ATOM 85 C VAL A 13 -2.658 29.049 14.351 1.00 0.00 C ATOM 86 O VAL A 13 -3.108 29.843 13.550 1.00 0.00 O ATOM 87 CB VAL A 13 -3.426 26.937 15.445 1.00 0.00 C ATOM 88 CG1 VAL A 13 -2.230 26.497 16.292 1.00 0.00 C ATOM 89 CG2 VAL A 13 -4.707 26.331 16.025 1.00 0.00 C ATOM 0 H VAL A 13 -5.376 28.508 14.391 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.189 28.837 16.428 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.292 26.595 14.419 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.156 25.410 16.279 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.316 26.928 15.883 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.365 26.840 17.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.633 25.244 16.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.839 26.674 17.051 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.562 26.644 15.425 1.00 0.00 H new ATOM 99 N LEU A 14 -1.411 28.665 14.296 1.00 0.00 N ATOM 100 CA LEU A 14 -0.515 29.204 13.234 1.00 0.00 C ATOM 101 C LEU A 14 -0.001 28.055 12.364 1.00 0.00 C ATOM 102 O LEU A 14 -0.622 27.674 11.391 1.00 0.00 O ATOM 103 CB LEU A 14 0.673 29.926 13.880 1.00 0.00 C ATOM 104 CG LEU A 14 1.006 29.273 15.223 1.00 0.00 C ATOM 105 CD1 LEU A 14 2.494 29.457 15.527 1.00 0.00 C ATOM 106 CD2 LEU A 14 0.177 29.932 16.329 1.00 0.00 C ATOM 0 H LEU A 14 -0.976 28.003 14.939 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.073 29.906 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.539 29.884 13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.435 30.980 14.026 1.00 0.00 H new ATOM 0 HG LEU A 14 0.773 28.209 15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.730 28.992 16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.087 28.990 14.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.727 30.521 15.574 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.413 29.468 17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.411 30.996 16.374 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.884 29.802 16.115 1.00 0.00 H new ATOM 118 N GLU A 15 1.129 27.499 12.704 1.00 0.00 N ATOM 119 CA GLU A 15 1.681 26.377 11.894 1.00 0.00 C ATOM 120 C GLU A 15 1.766 25.118 12.759 1.00 0.00 C ATOM 121 O GLU A 15 1.260 25.076 13.862 1.00 0.00 O ATOM 122 CB GLU A 15 3.079 26.749 11.393 1.00 0.00 C ATOM 123 CG GLU A 15 2.993 28.012 10.533 1.00 0.00 C ATOM 124 CD GLU A 15 3.891 27.854 9.305 1.00 0.00 C ATOM 125 OE1 GLU A 15 4.804 27.047 9.362 1.00 0.00 O ATOM 126 OE2 GLU A 15 3.651 28.543 8.327 1.00 0.00 O ATOM 0 H GLU A 15 1.694 27.773 13.508 1.00 0.00 H new ATOM 0 HA GLU A 15 1.029 26.188 11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.747 26.916 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.499 25.928 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.962 28.185 10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.302 28.882 11.113 1.00 0.00 H new ATOM 133 N GLU A 16 2.404 24.090 12.266 1.00 0.00 N ATOM 134 CA GLU A 16 2.518 22.836 13.062 1.00 0.00 C ATOM 135 C GLU A 16 3.294 21.790 12.257 1.00 0.00 C ATOM 136 O GLU A 16 2.796 21.237 11.297 1.00 0.00 O ATOM 137 CB GLU A 16 1.120 22.302 13.379 1.00 0.00 C ATOM 138 CG GLU A 16 0.324 22.152 12.081 1.00 0.00 C ATOM 139 CD GLU A 16 -1.169 22.309 12.375 1.00 0.00 C ATOM 140 OE1 GLU A 16 -1.601 21.835 13.413 1.00 0.00 O ATOM 141 OE2 GLU A 16 -1.855 22.901 11.558 1.00 0.00 O ATOM 0 H GLU A 16 2.850 24.065 11.349 1.00 0.00 H new ATOM 0 HA GLU A 16 3.046 23.044 13.993 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.193 21.340 13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.605 22.982 14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.644 22.902 11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.517 21.176 11.635 1.00 0.00 H new ATOM 148 N GLU A 17 4.510 21.514 12.642 1.00 0.00 N ATOM 149 CA GLU A 17 5.316 20.504 11.901 1.00 0.00 C ATOM 150 C GLU A 17 5.751 19.394 12.860 1.00 0.00 C ATOM 151 O GLU A 17 5.472 19.440 14.042 1.00 0.00 O ATOM 152 CB GLU A 17 6.554 21.178 11.304 1.00 0.00 C ATOM 153 CG GLU A 17 6.349 21.387 9.803 1.00 0.00 C ATOM 154 CD GLU A 17 5.202 22.373 9.576 1.00 0.00 C ATOM 155 OE1 GLU A 17 5.288 23.479 10.086 1.00 0.00 O ATOM 156 OE2 GLU A 17 4.257 22.007 8.897 1.00 0.00 O ATOM 0 H GLU A 17 4.980 21.945 13.438 1.00 0.00 H new ATOM 0 HA GLU A 17 4.714 20.075 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.732 22.135 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.436 20.562 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.264 21.767 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.126 20.436 9.320 1.00 0.00 H new ATOM 163 N GLU A 18 6.432 18.399 12.363 1.00 0.00 N ATOM 164 CA GLU A 18 6.883 17.289 13.250 1.00 0.00 C ATOM 165 C GLU A 18 7.835 16.374 12.478 1.00 0.00 C ATOM 166 O GLU A 18 7.453 15.321 12.005 1.00 0.00 O ATOM 167 CB GLU A 18 5.668 16.485 13.718 1.00 0.00 C ATOM 168 CG GLU A 18 4.768 16.178 12.520 1.00 0.00 C ATOM 169 CD GLU A 18 3.318 16.049 12.992 1.00 0.00 C ATOM 170 OE1 GLU A 18 3.113 15.520 14.072 1.00 0.00 O ATOM 171 OE2 GLU A 18 2.439 16.480 12.265 1.00 0.00 O ATOM 0 H GLU A 18 6.696 18.306 11.382 1.00 0.00 H new ATOM 0 HA GLU A 18 7.400 17.702 14.116 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.992 15.558 14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.113 17.048 14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.851 16.971 11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.088 15.254 12.038 1.00 0.00 H new ATOM 178 N GLU A 19 9.073 16.764 12.347 1.00 0.00 N ATOM 179 CA GLU A 19 10.048 15.915 11.606 1.00 0.00 C ATOM 180 C GLU A 19 9.703 15.922 10.115 1.00 0.00 C ATOM 181 O GLU A 19 8.796 16.604 9.680 1.00 0.00 O ATOM 182 CB GLU A 19 9.983 14.482 12.138 1.00 0.00 C ATOM 183 CG GLU A 19 11.398 13.910 12.242 1.00 0.00 C ATOM 184 CD GLU A 19 11.363 12.406 11.967 1.00 0.00 C ATOM 185 OE1 GLU A 19 10.873 12.028 10.916 1.00 0.00 O ATOM 186 OE2 GLU A 19 11.827 11.658 12.812 1.00 0.00 O ATOM 0 H GLU A 19 9.452 17.634 12.721 1.00 0.00 H new ATOM 0 HA GLU A 19 11.054 16.310 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.501 14.468 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.378 13.864 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.055 14.406 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.806 14.099 13.235 1.00 0.00 H new ATOM 193 N GLU A 20 10.419 15.166 9.328 1.00 0.00 N ATOM 194 CA GLU A 20 10.132 15.128 7.866 1.00 0.00 C ATOM 195 C GLU A 20 9.389 13.834 7.526 1.00 0.00 C ATOM 196 O GLU A 20 9.501 12.842 8.218 1.00 0.00 O ATOM 197 CB GLU A 20 11.446 15.182 7.085 1.00 0.00 C ATOM 198 CG GLU A 20 12.256 16.402 7.531 1.00 0.00 C ATOM 199 CD GLU A 20 12.696 17.200 6.303 1.00 0.00 C ATOM 200 OE1 GLU A 20 13.049 16.581 5.313 1.00 0.00 O ATOM 201 OE2 GLU A 20 12.673 18.418 6.373 1.00 0.00 O ATOM 0 H GLU A 20 11.190 14.573 9.634 1.00 0.00 H new ATOM 0 HA GLU A 20 9.514 15.984 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.019 14.270 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.244 15.238 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.655 17.030 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.128 16.084 8.102 1.00 0.00 H new ATOM 208 N TYR A 21 8.633 13.835 6.462 1.00 0.00 N ATOM 209 CA TYR A 21 7.885 12.605 6.077 1.00 0.00 C ATOM 210 C TYR A 21 8.619 11.897 4.941 1.00 0.00 C ATOM 211 O TYR A 21 9.775 12.159 4.675 1.00 0.00 O ATOM 212 CB TYR A 21 6.477 12.986 5.614 1.00 0.00 C ATOM 213 CG TYR A 21 5.848 13.916 6.623 1.00 0.00 C ATOM 214 CD1 TYR A 21 6.181 13.807 7.980 1.00 0.00 C ATOM 215 CD2 TYR A 21 4.931 14.888 6.201 1.00 0.00 C ATOM 216 CE1 TYR A 21 5.595 14.671 8.915 1.00 0.00 C ATOM 217 CE2 TYR A 21 4.346 15.752 7.138 1.00 0.00 C ATOM 218 CZ TYR A 21 4.678 15.643 8.494 1.00 0.00 C ATOM 219 OH TYR A 21 4.102 16.493 9.416 1.00 0.00 O ATOM 0 H TYR A 21 8.501 14.635 5.843 1.00 0.00 H new ATOM 0 HA TYR A 21 7.817 11.939 6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.522 13.469 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.866 12.091 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.888 13.058 8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.675 14.972 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.851 14.587 9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.639 16.502 6.814 1.00 0.00 H new ATOM 0 HH TYR A 21 3.491 17.107 8.958 1.00 0.00 H new ATOM 229 N VAL A 22 7.954 10.998 4.271 1.00 0.00 N ATOM 230 CA VAL A 22 8.603 10.264 3.156 1.00 0.00 C ATOM 231 C VAL A 22 7.652 9.195 2.610 1.00 0.00 C ATOM 232 O VAL A 22 8.077 8.237 2.009 1.00 0.00 O ATOM 233 CB VAL A 22 9.876 9.594 3.669 1.00 0.00 C ATOM 234 CG1 VAL A 22 9.529 8.660 4.829 1.00 0.00 C ATOM 235 CG2 VAL A 22 10.524 8.787 2.542 1.00 0.00 C ATOM 0 H VAL A 22 6.984 10.741 4.451 1.00 0.00 H new ATOM 0 HA VAL A 22 8.848 10.965 2.358 1.00 0.00 H new ATOM 0 HB VAL A 22 10.573 10.359 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.437 8.182 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.071 9.235 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.830 7.897 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.432 8.310 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.828 8.023 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.774 9.452 1.715 1.00 0.00 H new ATOM 245 N VAL A 23 6.366 9.351 2.797 1.00 0.00 N ATOM 246 CA VAL A 23 5.414 8.335 2.274 1.00 0.00 C ATOM 247 C VAL A 23 4.454 9.003 1.293 1.00 0.00 C ATOM 248 O VAL A 23 3.749 9.932 1.633 1.00 0.00 O ATOM 249 CB VAL A 23 4.620 7.730 3.434 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.849 8.836 4.157 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.634 6.695 2.888 1.00 0.00 C ATOM 0 H VAL A 23 5.939 10.136 3.288 1.00 0.00 H new ATOM 0 HA VAL A 23 5.967 7.545 1.765 1.00 0.00 H new ATOM 0 HB VAL A 23 5.305 7.249 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.283 8.405 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.550 9.575 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.163 9.317 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.067 6.262 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.949 7.177 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.182 5.907 2.372 1.00 0.00 H new ATOM 261 N GLU A 24 4.419 8.538 0.077 1.00 0.00 N ATOM 262 CA GLU A 24 3.503 9.149 -0.927 1.00 0.00 C ATOM 263 C GLU A 24 2.157 8.424 -0.894 1.00 0.00 C ATOM 264 O GLU A 24 1.110 9.037 -0.962 1.00 0.00 O ATOM 265 CB GLU A 24 4.116 9.023 -2.323 1.00 0.00 C ATOM 266 CG GLU A 24 3.703 10.225 -3.174 1.00 0.00 C ATOM 267 CD GLU A 24 4.954 10.942 -3.686 1.00 0.00 C ATOM 268 OE1 GLU A 24 5.579 10.424 -4.597 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.265 11.997 -3.160 1.00 0.00 O ATOM 0 H GLU A 24 4.984 7.762 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 24 3.356 10.203 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.202 8.971 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.784 8.099 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.090 9.896 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.094 10.910 -2.584 1.00 0.00 H new ATOM 276 N LYS A 25 2.179 7.123 -0.787 1.00 0.00 N ATOM 277 CA LYS A 25 0.905 6.345 -0.746 1.00 0.00 C ATOM 278 C LYS A 25 1.189 4.887 -1.110 1.00 0.00 C ATOM 279 O LYS A 25 2.327 4.479 -1.229 1.00 0.00 O ATOM 280 CB LYS A 25 -0.092 6.931 -1.750 1.00 0.00 C ATOM 281 CG LYS A 25 0.649 7.369 -3.013 1.00 0.00 C ATOM 282 CD LYS A 25 -0.211 7.068 -4.242 1.00 0.00 C ATOM 283 CE LYS A 25 -0.688 8.381 -4.866 1.00 0.00 C ATOM 284 NZ LYS A 25 -1.547 9.111 -3.891 1.00 0.00 N ATOM 0 H LYS A 25 3.029 6.562 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 25 0.483 6.399 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.850 6.189 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.612 7.781 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.872 8.435 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.603 6.847 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.364 6.495 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.067 6.456 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.168 8.996 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.247 8.180 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.110 9.827 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.184 8.439 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.947 9.577 -3.181 1.00 0.00 H new ATOM 298 N VAL A 26 0.164 4.099 -1.291 1.00 0.00 N ATOM 299 CA VAL A 26 0.380 2.667 -1.651 1.00 0.00 C ATOM 300 C VAL A 26 0.353 2.521 -3.173 1.00 0.00 C ATOM 301 O VAL A 26 0.546 3.473 -3.902 1.00 0.00 O ATOM 302 CB VAL A 26 -0.725 1.794 -1.041 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.111 0.500 -0.504 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.411 2.537 0.109 1.00 0.00 C ATOM 0 H VAL A 26 -0.812 4.383 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 26 1.345 2.344 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.462 1.566 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.894 -0.122 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.371 -0.040 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.628 0.738 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.193 1.908 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.677 2.773 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.852 3.460 -0.266 1.00 0.00 H new ATOM 314 N LEU A 27 0.115 1.333 -3.656 1.00 0.00 N ATOM 315 CA LEU A 27 0.074 1.125 -5.131 1.00 0.00 C ATOM 316 C LEU A 27 -0.420 -0.290 -5.437 1.00 0.00 C ATOM 317 O LEU A 27 -1.095 -0.523 -6.419 1.00 0.00 O ATOM 318 CB LEU A 27 1.478 1.314 -5.711 1.00 0.00 C ATOM 319 CG LEU A 27 1.550 2.652 -6.446 1.00 0.00 C ATOM 320 CD1 LEU A 27 2.752 3.451 -5.941 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.701 2.399 -7.948 1.00 0.00 C ATOM 0 H LEU A 27 -0.053 0.498 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.606 1.849 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.220 1.285 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.713 0.498 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 27 0.637 3.217 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.802 4.405 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.646 3.631 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.667 2.887 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.753 3.352 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.614 1.833 -8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.844 1.831 -8.309 1.00 0.00 H new ATOM 333 N ASP A 28 -0.088 -1.240 -4.604 1.00 0.00 N ATOM 334 CA ASP A 28 -0.541 -2.637 -4.852 1.00 0.00 C ATOM 335 C ASP A 28 -0.367 -3.465 -3.577 1.00 0.00 C ATOM 336 O ASP A 28 -0.078 -2.942 -2.520 1.00 0.00 O ATOM 337 CB ASP A 28 0.295 -3.251 -5.977 1.00 0.00 C ATOM 338 CG ASP A 28 -0.538 -3.309 -7.259 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.751 -3.376 -7.150 1.00 0.00 O ATOM 340 OD2 ASP A 28 0.052 -3.287 -8.327 1.00 0.00 O ATOM 0 H ASP A 28 0.476 -1.108 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.592 -2.632 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.194 -2.657 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.621 -4.253 -5.697 1.00 0.00 H new ATOM 345 N ARG A 29 -0.544 -4.755 -3.669 1.00 0.00 N ATOM 346 CA ARG A 29 -0.391 -5.615 -2.463 1.00 0.00 C ATOM 347 C ARG A 29 -0.127 -7.059 -2.898 1.00 0.00 C ATOM 348 O ARG A 29 -0.244 -7.400 -4.058 1.00 0.00 O ATOM 349 CB ARG A 29 -1.674 -5.560 -1.630 1.00 0.00 C ATOM 350 CG ARG A 29 -2.888 -5.686 -2.553 1.00 0.00 C ATOM 351 CD ARG A 29 -3.075 -7.149 -2.953 1.00 0.00 C ATOM 352 NE ARG A 29 -4.449 -7.593 -2.587 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.689 -8.857 -2.364 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.229 -9.762 -3.184 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.391 -9.214 -1.325 1.00 0.00 N ATOM 0 H ARG A 29 -0.788 -5.250 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 29 0.446 -5.256 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.678 -6.365 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.721 -4.622 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.782 -5.319 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.748 -5.070 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.917 -7.267 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.334 -7.772 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.202 -6.910 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.682 -9.482 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.416 -10.750 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.753 -8.506 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.578 -10.201 -1.151 1.00 0.00 H new ATOM 369 N ARG A 30 0.228 -7.911 -1.975 1.00 0.00 N ATOM 370 CA ARG A 30 0.499 -9.331 -2.337 1.00 0.00 C ATOM 371 C ARG A 30 0.219 -10.227 -1.128 1.00 0.00 C ATOM 372 O ARG A 30 0.573 -9.906 -0.011 1.00 0.00 O ATOM 373 CB ARG A 30 1.964 -9.480 -2.754 1.00 0.00 C ATOM 374 CG ARG A 30 2.317 -10.965 -2.859 1.00 0.00 C ATOM 375 CD ARG A 30 3.294 -11.338 -1.744 1.00 0.00 C ATOM 376 NE ARG A 30 4.692 -11.224 -2.249 1.00 0.00 N ATOM 377 CZ ARG A 30 5.639 -11.942 -1.712 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.176 -11.576 -0.581 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.052 -13.028 -2.308 1.00 0.00 N ATOM 0 H ARG A 30 0.342 -7.685 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.146 -9.625 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.132 -8.987 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.612 -8.992 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.414 -11.570 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.761 -11.176 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.151 -10.681 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.101 -12.355 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 30 4.908 -10.585 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.855 -10.727 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.917 -12.139 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.634 -13.314 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.793 -13.590 -1.888 1.00 0.00 H new ATOM 393 N VAL A 31 -0.415 -11.347 -1.342 1.00 0.00 N ATOM 394 CA VAL A 31 -0.718 -12.261 -0.204 1.00 0.00 C ATOM 395 C VAL A 31 -0.101 -13.635 -0.474 1.00 0.00 C ATOM 396 O VAL A 31 -0.265 -14.202 -1.536 1.00 0.00 O ATOM 397 CB VAL A 31 -2.233 -12.401 -0.051 1.00 0.00 C ATOM 398 CG1 VAL A 31 -2.546 -13.526 0.938 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.817 -11.088 0.472 1.00 0.00 C ATOM 0 H VAL A 31 -0.736 -11.669 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.298 -11.850 0.714 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.674 -12.635 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.626 -13.625 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.131 -14.463 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.104 -13.292 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.897 -11.188 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.375 -10.853 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.596 -10.286 -0.232 1.00 0.00 H new ATOM 409 N VAL A 32 0.610 -14.174 0.480 1.00 0.00 N ATOM 410 CA VAL A 32 1.236 -15.510 0.277 1.00 0.00 C ATOM 411 C VAL A 32 0.417 -16.576 1.010 1.00 0.00 C ATOM 412 O VAL A 32 0.953 -17.539 1.522 1.00 0.00 O ATOM 413 CB VAL A 32 2.662 -15.492 0.830 1.00 0.00 C ATOM 414 CG1 VAL A 32 3.425 -16.716 0.320 1.00 0.00 C ATOM 415 CG2 VAL A 32 3.373 -14.219 0.366 1.00 0.00 C ATOM 0 H VAL A 32 0.784 -13.746 1.390 1.00 0.00 H new ATOM 0 HA VAL A 32 1.261 -15.742 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 32 2.628 -15.514 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.441 -16.702 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.920 -17.623 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.459 -16.696 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.389 -14.206 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.406 -14.197 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.831 -13.346 0.730 1.00 0.00 H new ATOM 425 N LYS A 33 -0.876 -16.412 1.065 1.00 0.00 N ATOM 426 CA LYS A 33 -1.725 -17.417 1.766 1.00 0.00 C ATOM 427 C LYS A 33 -1.348 -17.456 3.248 1.00 0.00 C ATOM 428 O LYS A 33 -1.108 -18.507 3.809 1.00 0.00 O ATOM 429 CB LYS A 33 -1.499 -18.797 1.145 1.00 0.00 C ATOM 430 CG LYS A 33 -2.575 -19.065 0.092 1.00 0.00 C ATOM 431 CD LYS A 33 -1.918 -19.585 -1.188 1.00 0.00 C ATOM 432 CE LYS A 33 -1.170 -20.884 -0.885 1.00 0.00 C ATOM 433 NZ LYS A 33 -1.099 -21.716 -2.120 1.00 0.00 N ATOM 0 H LYS A 33 -1.381 -15.626 0.655 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.775 -17.141 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.510 -18.845 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.532 -19.565 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.293 -19.795 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.130 -18.151 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.675 -19.758 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.229 -18.840 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.165 -20.662 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.679 -21.433 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.590 -22.600 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.062 -21.938 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.595 -21.191 -2.863 1.00 0.00 H new ATOM 447 N GLY A 34 -1.292 -16.320 3.886 1.00 0.00 N ATOM 448 CA GLY A 34 -0.929 -16.291 5.330 1.00 0.00 C ATOM 449 C GLY A 34 -0.429 -14.894 5.701 1.00 0.00 C ATOM 450 O GLY A 34 -0.475 -14.490 6.846 1.00 0.00 O ATOM 0 H GLY A 34 -1.482 -15.409 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.794 -16.553 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.157 -17.032 5.537 1.00 0.00 H new ATOM 454 N LYS A 35 0.051 -14.154 4.740 1.00 0.00 N ATOM 455 CA LYS A 35 0.555 -12.784 5.033 1.00 0.00 C ATOM 456 C LYS A 35 0.044 -11.817 3.964 1.00 0.00 C ATOM 457 O LYS A 35 -0.309 -12.216 2.872 1.00 0.00 O ATOM 458 CB LYS A 35 2.084 -12.790 5.027 1.00 0.00 C ATOM 459 CG LYS A 35 2.594 -13.771 6.086 1.00 0.00 C ATOM 460 CD LYS A 35 4.033 -13.414 6.462 1.00 0.00 C ATOM 461 CE LYS A 35 4.539 -14.390 7.526 1.00 0.00 C ATOM 462 NZ LYS A 35 5.746 -13.821 8.189 1.00 0.00 N ATOM 0 H LYS A 35 0.116 -14.440 3.763 1.00 0.00 H new ATOM 0 HA LYS A 35 0.199 -12.466 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.453 -13.077 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.463 -11.789 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.956 -13.733 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.549 -14.791 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.672 -13.457 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.079 -12.392 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.759 -14.576 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.780 -15.350 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.090 -14.484 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.491 -13.665 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.501 -12.916 8.638 1.00 0.00 H new ATOM 476 N VAL A 36 0.003 -10.548 4.267 1.00 0.00 N ATOM 477 CA VAL A 36 -0.485 -9.562 3.263 1.00 0.00 C ATOM 478 C VAL A 36 0.408 -8.321 3.289 1.00 0.00 C ATOM 479 O VAL A 36 0.298 -7.483 4.163 1.00 0.00 O ATOM 480 CB VAL A 36 -1.922 -9.161 3.597 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.397 -8.095 2.608 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.830 -10.389 3.496 1.00 0.00 C ATOM 0 H VAL A 36 0.286 -10.153 5.164 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.454 -10.011 2.270 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.961 -8.761 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.422 -7.809 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.750 -7.220 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.358 -8.495 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.855 -10.104 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.790 -10.788 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.492 -11.150 4.199 1.00 0.00 H new ATOM 492 N GLU A 37 1.292 -8.194 2.338 1.00 0.00 N ATOM 493 CA GLU A 37 2.188 -7.005 2.308 1.00 0.00 C ATOM 494 C GLU A 37 1.551 -5.918 1.441 1.00 0.00 C ATOM 495 O GLU A 37 0.526 -6.126 0.824 1.00 0.00 O ATOM 496 CB GLU A 37 3.543 -7.400 1.717 1.00 0.00 C ATOM 497 CG GLU A 37 4.114 -8.587 2.496 1.00 0.00 C ATOM 498 CD GLU A 37 5.359 -8.141 3.267 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.057 -7.269 2.775 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.593 -8.679 4.336 1.00 0.00 O ATOM 0 H GLU A 37 1.432 -8.863 1.581 1.00 0.00 H new ATOM 0 HA GLU A 37 2.332 -6.629 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.430 -7.662 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.232 -6.556 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.366 -8.976 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.368 -9.396 1.812 1.00 0.00 H new ATOM 507 N TYR A 38 2.145 -4.758 1.392 1.00 0.00 N ATOM 508 CA TYR A 38 1.566 -3.663 0.564 1.00 0.00 C ATOM 509 C TYR A 38 2.694 -2.845 -0.065 1.00 0.00 C ATOM 510 O TYR A 38 3.557 -2.332 0.618 1.00 0.00 O ATOM 511 CB TYR A 38 0.708 -2.757 1.448 1.00 0.00 C ATOM 512 CG TYR A 38 -0.585 -3.460 1.786 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.684 -3.357 0.924 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.686 -4.216 2.961 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.885 -4.009 1.236 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.886 -4.868 3.275 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.985 -4.764 2.412 1.00 0.00 C ATOM 518 OH TYR A 38 -4.168 -5.407 2.720 1.00 0.00 O ATOM 0 H TYR A 38 3.004 -4.521 1.888 1.00 0.00 H new ATOM 0 HA TYR A 38 0.948 -4.092 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.247 -2.506 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.500 -1.819 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.606 -2.775 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.162 -4.296 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.732 -3.929 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.964 -5.450 4.181 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.633 -5.650 1.892 1.00 0.00 H new ATOM 528 N LEU A 39 2.693 -2.719 -1.364 1.00 0.00 N ATOM 529 CA LEU A 39 3.764 -1.932 -2.036 1.00 0.00 C ATOM 530 C LEU A 39 3.389 -0.450 -2.025 1.00 0.00 C ATOM 531 O LEU A 39 2.357 -0.057 -2.534 1.00 0.00 O ATOM 532 CB LEU A 39 3.921 -2.409 -3.482 1.00 0.00 C ATOM 533 CG LEU A 39 5.107 -1.691 -4.129 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.923 -2.691 -4.949 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.590 -0.582 -5.048 1.00 0.00 C ATOM 0 H LEU A 39 1.997 -3.127 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 39 4.705 -2.073 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.078 -3.487 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.009 -2.207 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 39 5.737 -1.257 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.768 -2.180 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.290 -3.483 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.293 -3.124 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.434 -0.069 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.960 -1.017 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.007 0.131 -4.465 1.00 0.00 H new ATOM 547 N LEU A 40 4.217 0.377 -1.448 1.00 0.00 N ATOM 548 CA LEU A 40 3.905 1.833 -1.403 1.00 0.00 C ATOM 549 C LEU A 40 5.163 2.636 -1.740 1.00 0.00 C ATOM 550 O LEU A 40 6.272 2.171 -1.569 1.00 0.00 O ATOM 551 CB LEU A 40 3.423 2.209 0.000 1.00 0.00 C ATOM 552 CG LEU A 40 4.362 1.604 1.043 1.00 0.00 C ATOM 553 CD1 LEU A 40 5.643 2.437 1.122 1.00 0.00 C ATOM 554 CD2 LEU A 40 3.671 1.605 2.410 1.00 0.00 C ATOM 0 H LEU A 40 5.096 0.107 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 40 3.124 2.058 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.394 3.293 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.407 1.846 0.156 1.00 0.00 H new ATOM 0 HG LEU A 40 4.610 0.581 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.312 2.005 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.135 2.441 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.395 3.459 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.339 1.174 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.424 2.629 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.757 1.013 2.356 1.00 0.00 H new ATOM 566 N LYS A 41 4.998 3.840 -2.214 1.00 0.00 N ATOM 567 CA LYS A 41 6.184 4.675 -2.556 1.00 0.00 C ATOM 568 C LYS A 41 6.571 5.514 -1.338 1.00 0.00 C ATOM 569 O LYS A 41 5.929 5.458 -0.308 1.00 0.00 O ATOM 570 CB LYS A 41 5.838 5.600 -3.725 1.00 0.00 C ATOM 571 CG LYS A 41 5.751 4.784 -5.016 1.00 0.00 C ATOM 572 CD LYS A 41 5.700 5.729 -6.218 1.00 0.00 C ATOM 573 CE LYS A 41 4.398 6.532 -6.181 1.00 0.00 C ATOM 574 NZ LYS A 41 4.631 7.882 -6.769 1.00 0.00 N ATOM 0 H LYS A 41 4.094 4.282 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 41 7.017 4.032 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.889 6.103 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.596 6.377 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.612 4.121 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.863 4.152 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.556 6.403 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.762 5.159 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.620 6.010 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.045 6.627 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.747 8.429 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.361 8.379 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.948 7.781 -7.754 1.00 0.00 H new ATOM 588 N TRP A 42 7.613 6.291 -1.439 1.00 0.00 N ATOM 589 CA TRP A 42 8.027 7.123 -0.276 1.00 0.00 C ATOM 590 C TRP A 42 8.389 8.535 -0.751 1.00 0.00 C ATOM 591 O TRP A 42 9.257 8.719 -1.582 1.00 0.00 O ATOM 592 CB TRP A 42 9.236 6.480 0.410 1.00 0.00 C ATOM 593 CG TRP A 42 8.809 5.217 1.091 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.746 4.003 0.497 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.386 5.017 2.476 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.312 3.072 1.424 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.077 3.647 2.657 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.240 5.881 3.583 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.642 3.152 3.887 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.801 5.384 4.821 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.503 4.022 4.972 1.00 0.00 C ATOM 0 H TRP A 42 8.193 6.386 -2.273 1.00 0.00 H new ATOM 0 HA TRP A 42 7.202 7.187 0.434 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.013 6.265 -0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.665 7.170 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.994 3.795 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.181 2.081 1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.467 6.931 3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.414 2.102 4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.692 6.054 5.661 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.166 3.645 5.927 1.00 0.00 H new ATOM 612 N LYS A 43 7.721 9.533 -0.232 1.00 0.00 N ATOM 613 CA LYS A 43 8.012 10.934 -0.654 1.00 0.00 C ATOM 614 C LYS A 43 9.178 11.502 0.160 1.00 0.00 C ATOM 615 O LYS A 43 9.116 12.609 0.655 1.00 0.00 O ATOM 616 CB LYS A 43 6.768 11.799 -0.436 1.00 0.00 C ATOM 617 CG LYS A 43 6.558 12.030 1.062 1.00 0.00 C ATOM 618 CD LYS A 43 5.087 12.353 1.328 1.00 0.00 C ATOM 619 CE LYS A 43 4.830 13.833 1.040 1.00 0.00 C ATOM 620 NZ LYS A 43 5.535 14.666 2.056 1.00 0.00 N ATOM 0 H LYS A 43 6.985 9.437 0.468 1.00 0.00 H new ATOM 0 HA LYS A 43 8.284 10.937 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.883 12.754 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.893 11.310 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.853 11.143 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.189 12.849 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.448 11.733 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.835 12.124 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.181 14.086 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.760 14.039 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.835 15.166 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.119 14.055 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.143 15.359 1.575 1.00 0.00 H new ATOM 634 N GLY A 44 10.241 10.760 0.301 1.00 0.00 N ATOM 635 CA GLY A 44 11.403 11.272 1.083 1.00 0.00 C ATOM 636 C GLY A 44 12.708 10.765 0.464 1.00 0.00 C ATOM 637 O GLY A 44 13.694 11.471 0.411 1.00 0.00 O ATOM 0 H GLY A 44 10.356 9.825 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.394 12.362 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.329 10.943 2.119 1.00 0.00 H new ATOM 641 N PHE A 45 12.721 9.548 -0.004 1.00 0.00 N ATOM 642 CA PHE A 45 13.964 9.000 -0.617 1.00 0.00 C ATOM 643 C PHE A 45 13.941 9.256 -2.124 1.00 0.00 C ATOM 644 O PHE A 45 14.641 10.111 -2.629 1.00 0.00 O ATOM 645 CB PHE A 45 14.040 7.494 -0.355 1.00 0.00 C ATOM 646 CG PHE A 45 14.149 7.248 1.131 1.00 0.00 C ATOM 647 CD1 PHE A 45 12.990 7.138 1.910 1.00 0.00 C ATOM 648 CD2 PHE A 45 15.410 7.132 1.730 1.00 0.00 C ATOM 649 CE1 PHE A 45 13.092 6.911 3.289 1.00 0.00 C ATOM 650 CE2 PHE A 45 15.513 6.905 3.109 1.00 0.00 C ATOM 651 CZ PHE A 45 14.353 6.795 3.889 1.00 0.00 C ATOM 0 H PHE A 45 11.926 8.909 0.011 1.00 0.00 H new ATOM 0 HA PHE A 45 14.834 9.488 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.154 6.999 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.901 7.067 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.018 7.228 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.303 7.218 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.198 6.825 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 45 16.485 6.815 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.431 6.621 4.952 1.00 0.00 H new ATOM 661 N SER A 46 13.140 8.524 -2.847 1.00 0.00 N ATOM 662 CA SER A 46 13.070 8.728 -4.321 1.00 0.00 C ATOM 663 C SER A 46 11.613 8.942 -4.733 1.00 0.00 C ATOM 664 O SER A 46 10.721 8.954 -3.908 1.00 0.00 O ATOM 665 CB SER A 46 13.628 7.494 -5.033 1.00 0.00 C ATOM 666 OG SER A 46 13.395 6.343 -4.232 1.00 0.00 O ATOM 0 H SER A 46 12.530 7.793 -2.481 1.00 0.00 H new ATOM 0 HA SER A 46 13.659 9.602 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.152 7.376 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.696 7.616 -5.213 1.00 0.00 H new ATOM 0 HG SER A 46 13.750 5.551 -4.687 1.00 0.00 H new ATOM 672 N ASP A 47 11.362 9.107 -6.003 1.00 0.00 N ATOM 673 CA ASP A 47 9.961 9.319 -6.462 1.00 0.00 C ATOM 674 C ASP A 47 9.311 7.964 -6.754 1.00 0.00 C ATOM 675 O ASP A 47 8.405 7.860 -7.558 1.00 0.00 O ATOM 676 CB ASP A 47 9.963 10.170 -7.734 1.00 0.00 C ATOM 677 CG ASP A 47 8.890 11.254 -7.626 1.00 0.00 C ATOM 678 OD1 ASP A 47 7.768 10.918 -7.285 1.00 0.00 O ATOM 679 OD2 ASP A 47 9.210 12.403 -7.883 1.00 0.00 O ATOM 0 H ASP A 47 12.066 9.104 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 47 9.397 9.833 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.942 10.626 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.774 9.542 -8.604 1.00 0.00 H new ATOM 684 N GLU A 48 9.766 6.927 -6.107 1.00 0.00 N ATOM 685 CA GLU A 48 9.177 5.580 -6.345 1.00 0.00 C ATOM 686 C GLU A 48 10.128 4.510 -5.807 1.00 0.00 C ATOM 687 O GLU A 48 10.843 3.869 -6.550 1.00 0.00 O ATOM 688 CB GLU A 48 8.974 5.370 -7.846 1.00 0.00 C ATOM 689 CG GLU A 48 10.165 5.951 -8.611 1.00 0.00 C ATOM 690 CD GLU A 48 10.309 5.235 -9.954 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.293 4.875 -10.523 1.00 0.00 O ATOM 692 OE2 GLU A 48 11.435 5.060 -10.392 1.00 0.00 O ATOM 0 H GLU A 48 10.522 6.955 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 48 8.217 5.507 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.872 4.307 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.051 5.852 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.022 7.020 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.077 5.836 -8.026 1.00 0.00 H new ATOM 699 N ASP A 49 10.142 4.312 -4.518 1.00 0.00 N ATOM 700 CA ASP A 49 11.047 3.285 -3.933 1.00 0.00 C ATOM 701 C ASP A 49 10.311 1.946 -3.852 1.00 0.00 C ATOM 702 O ASP A 49 10.914 0.892 -3.881 1.00 0.00 O ATOM 703 CB ASP A 49 11.471 3.721 -2.529 1.00 0.00 C ATOM 704 CG ASP A 49 12.610 2.827 -2.037 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.218 2.168 -2.864 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.854 2.816 -0.842 1.00 0.00 O ATOM 0 H ASP A 49 9.566 4.817 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 49 11.931 3.176 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.792 4.763 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.624 3.657 -1.846 1.00 0.00 H new ATOM 711 N ASN A 50 9.010 1.980 -3.756 1.00 0.00 N ATOM 712 CA ASN A 50 8.234 0.710 -3.678 1.00 0.00 C ATOM 713 C ASN A 50 8.791 -0.165 -2.555 1.00 0.00 C ATOM 714 O ASN A 50 9.819 -0.797 -2.696 1.00 0.00 O ATOM 715 CB ASN A 50 8.348 -0.036 -5.009 1.00 0.00 C ATOM 716 CG ASN A 50 8.235 0.959 -6.165 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.177 1.504 -6.412 1.00 0.00 O ATOM 718 ND2 ASN A 50 9.289 1.223 -6.887 1.00 0.00 N ATOM 0 H ASN A 50 8.451 2.833 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 50 7.188 0.937 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.300 -0.564 -5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.562 -0.788 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.225 1.887 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.177 0.766 -6.680 1.00 0.00 H new ATOM 725 N THR A 51 8.119 -0.210 -1.438 1.00 0.00 N ATOM 726 CA THR A 51 8.606 -1.047 -0.305 1.00 0.00 C ATOM 727 C THR A 51 7.480 -1.968 0.166 1.00 0.00 C ATOM 728 O THR A 51 6.371 -1.535 0.410 1.00 0.00 O ATOM 729 CB THR A 51 9.042 -0.141 0.850 1.00 0.00 C ATOM 730 OG1 THR A 51 9.815 0.936 0.339 1.00 0.00 O ATOM 731 CG2 THR A 51 9.880 -0.947 1.844 1.00 0.00 C ATOM 0 H THR A 51 7.252 0.297 -1.260 1.00 0.00 H new ATOM 0 HA THR A 51 9.454 -1.647 -0.634 1.00 0.00 H new ATOM 0 HB THR A 51 8.161 0.253 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.684 1.728 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.190 -0.302 2.666 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.286 -1.773 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.762 -1.342 1.340 1.00 0.00 H new ATOM 739 N TRP A 52 7.755 -3.238 0.294 1.00 0.00 N ATOM 740 CA TRP A 52 6.698 -4.186 0.749 1.00 0.00 C ATOM 741 C TRP A 52 6.611 -4.155 2.277 1.00 0.00 C ATOM 742 O TRP A 52 7.580 -4.393 2.968 1.00 0.00 O ATOM 743 CB TRP A 52 7.052 -5.603 0.290 1.00 0.00 C ATOM 744 CG TRP A 52 6.896 -5.700 -1.194 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.874 -5.452 -2.098 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.715 -6.066 -1.965 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.367 -5.643 -3.367 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.047 -6.020 -3.338 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.401 -6.430 -1.611 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.120 -6.321 -4.325 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.456 -6.736 -2.609 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.817 -6.682 -3.965 1.00 0.00 C ATOM 0 H TRP A 52 8.664 -3.659 0.104 1.00 0.00 H new ATOM 0 HA TRP A 52 5.739 -3.893 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.076 -5.844 0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.405 -6.329 0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.885 -5.154 -1.864 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.907 -5.519 -4.223 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.117 -6.475 -0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.403 -6.277 -5.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.450 -7.013 -2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.091 -6.919 -4.728 1.00 0.00 H new ATOM 763 N GLU A 53 5.456 -3.863 2.809 1.00 0.00 N ATOM 764 CA GLU A 53 5.310 -3.818 4.291 1.00 0.00 C ATOM 765 C GLU A 53 4.111 -4.676 4.712 1.00 0.00 C ATOM 766 O GLU A 53 3.093 -4.679 4.049 1.00 0.00 O ATOM 767 CB GLU A 53 5.082 -2.372 4.736 1.00 0.00 C ATOM 768 CG GLU A 53 6.427 -1.723 5.072 1.00 0.00 C ATOM 769 CD GLU A 53 6.441 -0.281 4.562 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.399 -0.099 3.356 1.00 0.00 O ATOM 771 OE2 GLU A 53 6.492 0.617 5.386 1.00 0.00 O ATOM 0 H GLU A 53 4.608 -3.654 2.282 1.00 0.00 H new ATOM 0 HA GLU A 53 6.216 -4.204 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.583 -1.811 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.427 -2.347 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.592 -1.740 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.240 -2.289 4.616 1.00 0.00 H new ATOM 778 N PRO A 54 4.269 -5.381 5.804 1.00 0.00 N ATOM 779 CA PRO A 54 3.214 -6.257 6.342 1.00 0.00 C ATOM 780 C PRO A 54 2.168 -5.430 7.094 1.00 0.00 C ATOM 781 O PRO A 54 2.491 -4.497 7.802 1.00 0.00 O ATOM 782 CB PRO A 54 3.969 -7.180 7.302 1.00 0.00 C ATOM 783 CG PRO A 54 5.268 -6.435 7.693 1.00 0.00 C ATOM 784 CD PRO A 54 5.511 -5.372 6.604 1.00 0.00 C ATOM 0 HA PRO A 54 2.674 -6.803 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.367 -7.400 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.197 -8.134 6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.167 -5.969 8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.108 -7.127 7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.696 -4.390 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.380 -5.619 5.993 1.00 0.00 H new ATOM 792 N GLU A 55 0.915 -5.766 6.948 1.00 0.00 N ATOM 793 CA GLU A 55 -0.149 -5.000 7.657 1.00 0.00 C ATOM 794 C GLU A 55 -0.201 -5.434 9.124 1.00 0.00 C ATOM 795 O GLU A 55 -0.965 -4.909 9.909 1.00 0.00 O ATOM 796 CB GLU A 55 -1.501 -5.272 6.995 1.00 0.00 C ATOM 797 CG GLU A 55 -1.644 -6.769 6.716 1.00 0.00 C ATOM 798 CD GLU A 55 -3.126 -7.150 6.719 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.765 -6.960 7.741 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.597 -7.625 5.698 1.00 0.00 O ATOM 0 H GLU A 55 0.583 -6.537 6.369 1.00 0.00 H new ATOM 0 HA GLU A 55 0.074 -3.934 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.309 -4.934 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.582 -4.709 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.197 -7.015 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.108 -7.343 7.472 1.00 0.00 H new ATOM 807 N GLU A 56 0.606 -6.388 9.502 1.00 0.00 N ATOM 808 CA GLU A 56 0.599 -6.852 10.918 1.00 0.00 C ATOM 809 C GLU A 56 1.385 -5.864 11.783 1.00 0.00 C ATOM 810 O GLU A 56 1.400 -5.962 12.994 1.00 0.00 O ATOM 811 CB GLU A 56 1.249 -8.235 11.006 1.00 0.00 C ATOM 812 CG GLU A 56 0.836 -9.072 9.793 1.00 0.00 C ATOM 813 CD GLU A 56 0.783 -10.549 10.186 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.577 -10.823 11.357 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.950 -11.381 9.311 1.00 0.00 O ATOM 0 H GLU A 56 1.269 -6.866 8.892 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.429 -6.910 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.334 -8.137 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.944 -8.734 11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.138 -8.747 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.546 -8.927 8.979 1.00 0.00 H new ATOM 822 N ASN A 57 2.038 -4.914 11.173 1.00 0.00 N ATOM 823 CA ASN A 57 2.822 -3.922 11.961 1.00 0.00 C ATOM 824 C ASN A 57 2.540 -2.515 11.432 1.00 0.00 C ATOM 825 O ASN A 57 2.452 -1.564 12.183 1.00 0.00 O ATOM 826 CB ASN A 57 4.315 -4.228 11.827 1.00 0.00 C ATOM 827 CG ASN A 57 4.782 -5.037 13.038 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.041 -5.220 13.984 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.989 -5.532 13.051 1.00 0.00 N ATOM 0 H ASN A 57 2.063 -4.782 10.162 1.00 0.00 H new ATOM 0 HA ASN A 57 2.533 -3.981 13.010 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.501 -4.786 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.882 -3.300 11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.310 -6.072 13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.612 -5.379 12.258 1.00 0.00 H new ATOM 836 N LEU A 58 2.401 -2.375 10.142 1.00 0.00 N ATOM 837 CA LEU A 58 2.125 -1.029 9.563 1.00 0.00 C ATOM 838 C LEU A 58 1.023 -0.342 10.372 1.00 0.00 C ATOM 839 O LEU A 58 0.122 -0.981 10.878 1.00 0.00 O ATOM 840 CB LEU A 58 1.672 -1.184 8.110 1.00 0.00 C ATOM 841 CG LEU A 58 2.815 -0.793 7.173 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.344 -0.892 5.721 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.246 0.645 7.471 1.00 0.00 C ATOM 0 H LEU A 58 2.467 -3.134 9.464 1.00 0.00 H new ATOM 0 HA LEU A 58 3.031 -0.424 9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.369 -2.214 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.802 -0.556 7.921 1.00 0.00 H new ATOM 0 HG LEU A 58 3.658 -1.467 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.160 -0.613 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.035 -1.915 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.501 -0.218 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.061 0.926 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.402 1.317 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.582 0.717 8.505 1.00 0.00 H new ATOM 855 N ASP A 59 1.089 0.954 10.499 1.00 0.00 N ATOM 856 CA ASP A 59 0.044 1.680 11.275 1.00 0.00 C ATOM 857 C ASP A 59 -0.537 2.807 10.419 1.00 0.00 C ATOM 858 O ASP A 59 -0.646 3.936 10.853 1.00 0.00 O ATOM 859 CB ASP A 59 0.669 2.271 12.541 1.00 0.00 C ATOM 860 CG ASP A 59 -0.401 2.395 13.629 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.068 3.416 13.662 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.534 1.467 14.409 1.00 0.00 O ATOM 0 H ASP A 59 1.821 1.542 10.100 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.751 0.987 11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.484 1.635 12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.098 3.249 12.325 1.00 0.00 H new ATOM 867 N CYS A 60 -0.911 2.509 9.205 1.00 0.00 N ATOM 868 CA CYS A 60 -1.485 3.563 8.323 1.00 0.00 C ATOM 869 C CYS A 60 -2.676 2.989 7.549 1.00 0.00 C ATOM 870 O CYS A 60 -2.525 2.532 6.433 1.00 0.00 O ATOM 871 CB CYS A 60 -0.417 4.038 7.335 1.00 0.00 C ATOM 872 SG CYS A 60 -0.069 5.791 7.620 1.00 0.00 S ATOM 0 H CYS A 60 -0.844 1.581 8.786 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.818 4.404 8.931 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.493 3.451 7.457 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.760 3.886 6.312 1.00 0.00 H new ATOM 0 HG CYS A 60 0.840 6.195 6.783 1.00 0.00 H new ATOM 878 N PRO A 61 -3.827 3.029 8.171 1.00 0.00 N ATOM 879 CA PRO A 61 -5.070 2.519 7.571 1.00 0.00 C ATOM 880 C PRO A 61 -5.630 3.524 6.560 1.00 0.00 C ATOM 881 O PRO A 61 -6.670 3.310 5.968 1.00 0.00 O ATOM 882 CB PRO A 61 -6.011 2.369 8.770 1.00 0.00 C ATOM 883 CG PRO A 61 -5.471 3.318 9.868 1.00 0.00 C ATOM 884 CD PRO A 61 -3.993 3.588 9.527 1.00 0.00 C ATOM 0 HA PRO A 61 -4.931 1.586 7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.033 2.632 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.030 1.338 9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.040 4.248 9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.564 2.863 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.768 4.654 9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.325 3.106 10.241 1.00 0.00 H new ATOM 892 N ASP A 62 -4.946 4.616 6.354 1.00 0.00 N ATOM 893 CA ASP A 62 -5.438 5.627 5.379 1.00 0.00 C ATOM 894 C ASP A 62 -5.026 5.199 3.973 1.00 0.00 C ATOM 895 O ASP A 62 -5.791 5.292 3.033 1.00 0.00 O ATOM 896 CB ASP A 62 -4.823 6.991 5.700 1.00 0.00 C ATOM 897 CG ASP A 62 -5.768 7.777 6.610 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.871 8.067 6.177 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.373 8.077 7.726 1.00 0.00 O ATOM 0 H ASP A 62 -4.069 4.851 6.819 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.524 5.701 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.857 6.860 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.643 7.546 4.779 1.00 0.00 H new ATOM 904 N LEU A 63 -3.822 4.722 3.823 1.00 0.00 N ATOM 905 CA LEU A 63 -3.364 4.280 2.482 1.00 0.00 C ATOM 906 C LEU A 63 -3.786 2.827 2.268 1.00 0.00 C ATOM 907 O LEU A 63 -4.081 2.411 1.166 1.00 0.00 O ATOM 908 CB LEU A 63 -1.840 4.391 2.394 1.00 0.00 C ATOM 909 CG LEU A 63 -1.367 5.608 3.192 1.00 0.00 C ATOM 910 CD1 LEU A 63 0.140 5.788 3.003 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.097 6.858 2.693 1.00 0.00 C ATOM 0 H LEU A 63 -3.137 4.620 4.572 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.811 4.911 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.376 3.485 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.532 4.484 1.353 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.584 5.457 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.477 6.655 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.660 4.898 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.359 5.940 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.761 7.726 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.879 7.009 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.171 6.730 2.827 1.00 0.00 H new ATOM 923 N ILE A 64 -3.824 2.055 3.319 1.00 0.00 N ATOM 924 CA ILE A 64 -4.235 0.632 3.182 1.00 0.00 C ATOM 925 C ILE A 64 -5.744 0.571 2.941 1.00 0.00 C ATOM 926 O ILE A 64 -6.261 -0.400 2.431 1.00 0.00 O ATOM 927 CB ILE A 64 -3.892 -0.127 4.466 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.407 0.059 4.786 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.188 -1.615 4.273 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.138 -0.374 6.228 1.00 0.00 C ATOM 0 H ILE A 64 -3.588 2.350 4.267 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.708 0.176 2.344 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.493 0.260 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.799 -0.530 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.122 1.102 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.944 -2.156 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.245 -1.749 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.586 -2.002 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.080 -0.242 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.735 0.234 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.407 -1.423 6.349 1.00 0.00 H new ATOM 942 N ALA A 65 -6.450 1.606 3.308 1.00 0.00 N ATOM 943 CA ALA A 65 -7.927 1.622 3.105 1.00 0.00 C ATOM 944 C ALA A 65 -8.274 2.569 1.951 1.00 0.00 C ATOM 945 O ALA A 65 -9.413 2.667 1.538 1.00 0.00 O ATOM 946 CB ALA A 65 -8.611 2.107 4.384 1.00 0.00 C ATOM 0 H ALA A 65 -6.065 2.445 3.742 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.272 0.616 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.691 2.119 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.364 1.435 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.266 3.113 4.622 1.00 0.00 H new ATOM 952 N GLU A 66 -7.301 3.266 1.426 1.00 0.00 N ATOM 953 CA GLU A 66 -7.574 4.204 0.296 1.00 0.00 C ATOM 954 C GLU A 66 -7.400 3.455 -1.023 1.00 0.00 C ATOM 955 O GLU A 66 -8.227 3.536 -1.909 1.00 0.00 O ATOM 956 CB GLU A 66 -6.593 5.376 0.353 1.00 0.00 C ATOM 957 CG GLU A 66 -6.716 6.208 -0.925 1.00 0.00 C ATOM 958 CD GLU A 66 -5.533 5.907 -1.846 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.601 4.921 -2.564 1.00 0.00 O ATOM 960 OE2 GLU A 66 -4.578 6.666 -1.819 1.00 0.00 O ATOM 0 H GLU A 66 -6.328 3.227 1.731 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.592 4.586 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.801 5.996 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.574 5.006 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.653 5.978 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.738 7.270 -0.680 1.00 0.00 H new ATOM 967 N PHE A 67 -6.344 2.703 -1.147 1.00 0.00 N ATOM 968 CA PHE A 67 -6.130 1.922 -2.392 1.00 0.00 C ATOM 969 C PHE A 67 -6.899 0.617 -2.240 1.00 0.00 C ATOM 970 O PHE A 67 -7.311 -0.004 -3.198 1.00 0.00 O ATOM 971 CB PHE A 67 -4.639 1.628 -2.574 1.00 0.00 C ATOM 972 CG PHE A 67 -4.455 0.592 -3.657 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.573 0.959 -5.004 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.167 -0.736 -3.314 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.402 -0.002 -6.010 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.997 -1.697 -4.320 1.00 0.00 C ATOM 977 CZ PHE A 67 -4.114 -1.331 -5.667 1.00 0.00 C ATOM 0 H PHE A 67 -5.619 2.596 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.476 2.479 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.107 2.542 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.212 1.269 -1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.796 1.982 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.076 -1.019 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.492 0.281 -7.048 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.776 -2.721 -4.056 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.982 -2.072 -6.441 1.00 0.00 H new ATOM 987 N LEU A 68 -7.105 0.218 -1.016 1.00 0.00 N ATOM 988 CA LEU A 68 -7.859 -1.024 -0.733 1.00 0.00 C ATOM 989 C LEU A 68 -9.057 -1.118 -1.678 1.00 0.00 C ATOM 990 O LEU A 68 -9.262 -2.114 -2.342 1.00 0.00 O ATOM 991 CB LEU A 68 -8.354 -0.954 0.710 1.00 0.00 C ATOM 992 CG LEU A 68 -7.982 -2.236 1.454 1.00 0.00 C ATOM 993 CD1 LEU A 68 -8.771 -2.315 2.762 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.318 -3.451 0.584 1.00 0.00 C ATOM 0 H LEU A 68 -6.774 0.713 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.224 -1.898 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.915 -0.092 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.435 -0.815 0.726 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.914 -2.229 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.505 -3.229 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.532 -1.452 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.839 -2.320 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.052 -4.364 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.386 -3.457 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.756 -3.398 -0.348 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.852 -0.084 -1.741 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.039 -0.109 -2.640 1.00 0.00 C ATOM 1008 C GLN A 69 -10.592 0.120 -4.085 1.00 0.00 C ATOM 1009 O GLN A 69 -11.119 -0.468 -5.008 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.015 0.995 -2.227 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.230 0.947 -0.713 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.033 2.172 -0.272 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.479 3.124 0.242 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.326 2.190 -0.453 1.00 0.00 N ATOM 0 H GLN A 69 -9.730 0.777 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.532 -1.078 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.623 1.969 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.966 0.866 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.759 0.034 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.269 0.925 -0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.792 1.392 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.870 3.003 -0.163 1.00 0.00 H new ATOM 1023 N SER A 70 -9.625 0.973 -4.291 1.00 0.00 N ATOM 1024 CA SER A 70 -9.152 1.237 -5.679 1.00 0.00 C ATOM 1025 C SER A 70 -8.777 -0.084 -6.354 1.00 0.00 C ATOM 1026 O SER A 70 -8.754 -0.188 -7.565 1.00 0.00 O ATOM 1027 CB SER A 70 -7.928 2.152 -5.638 1.00 0.00 C ATOM 1028 OG SER A 70 -8.052 3.054 -4.546 1.00 0.00 O ATOM 0 H SER A 70 -9.144 1.497 -3.560 1.00 0.00 H new ATOM 0 HA SER A 70 -9.948 1.720 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.020 1.559 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.842 2.705 -6.573 1.00 0.00 H new ATOM 0 HG SER A 70 -7.355 3.740 -4.608 1.00 0.00 H new ATOM 1034 N GLN A 71 -8.483 -1.096 -5.584 1.00 0.00 N ATOM 1035 CA GLN A 71 -8.112 -2.407 -6.187 1.00 0.00 C ATOM 1036 C GLN A 71 -9.269 -2.912 -7.049 1.00 0.00 C ATOM 1037 O GLN A 71 -9.076 -3.401 -8.144 1.00 0.00 O ATOM 1038 CB GLN A 71 -7.824 -3.419 -5.075 1.00 0.00 C ATOM 1039 CG GLN A 71 -6.518 -4.155 -5.380 1.00 0.00 C ATOM 1040 CD GLN A 71 -6.810 -5.637 -5.623 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -7.892 -5.980 -6.266 1.00 0.00 O flip ATOM 1042 NE2 GLN A 71 -6.044 -6.492 -5.224 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.484 -1.071 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.222 -2.286 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.750 -2.909 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.645 -4.131 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.039 -3.719 -6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.822 -4.042 -4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.198 -6.224 -4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.247 -7.477 -5.392 1.00 0.00 H new ATOM 1051 N LYS A 72 -10.473 -2.795 -6.561 1.00 0.00 N ATOM 1052 CA LYS A 72 -11.647 -3.264 -7.349 1.00 0.00 C ATOM 1053 C LYS A 72 -12.230 -2.091 -8.141 1.00 0.00 C ATOM 1054 O LYS A 72 -13.197 -2.238 -8.862 1.00 0.00 O ATOM 1055 CB LYS A 72 -12.709 -3.817 -6.397 1.00 0.00 C ATOM 1056 CG LYS A 72 -12.058 -4.794 -5.416 1.00 0.00 C ATOM 1057 CD LYS A 72 -12.975 -6.002 -5.210 1.00 0.00 C ATOM 1058 CE LYS A 72 -12.805 -6.538 -3.788 1.00 0.00 C ATOM 1059 NZ LYS A 72 -12.384 -7.967 -3.842 1.00 0.00 N ATOM 0 H LYS A 72 -10.695 -2.394 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.334 -4.048 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.184 -3.001 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.492 -4.321 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.091 -5.120 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.873 -4.299 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.013 -5.717 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.736 -6.781 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.061 -5.949 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.742 -6.444 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.268 -8.332 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.109 -8.524 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.480 -8.044 -4.351 1.00 0.00 H new ATOM 1073 N THR A 73 -11.652 -0.926 -8.015 1.00 0.00 N ATOM 1074 CA THR A 73 -12.175 0.253 -8.761 1.00 0.00 C ATOM 1075 C THR A 73 -11.325 0.483 -10.013 1.00 0.00 C ATOM 1076 O THR A 73 -11.769 0.269 -11.124 1.00 0.00 O ATOM 1077 CB THR A 73 -12.113 1.493 -7.868 1.00 0.00 C ATOM 1078 OG1 THR A 73 -12.273 1.105 -6.510 1.00 0.00 O ATOM 1079 CG2 THR A 73 -13.230 2.462 -8.259 1.00 0.00 C ATOM 0 H THR A 73 -10.839 -0.741 -7.427 1.00 0.00 H new ATOM 0 HA THR A 73 -13.209 0.068 -9.052 1.00 0.00 H new ATOM 0 HB THR A 73 -11.148 1.985 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.568 0.469 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.185 3.345 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.106 2.759 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.196 1.973 -8.134 1.00 0.00 H new ATOM 1087 N ALA A 74 -10.106 0.918 -9.842 1.00 0.00 N ATOM 1088 CA ALA A 74 -9.229 1.162 -11.021 1.00 0.00 C ATOM 1089 C ALA A 74 -9.714 2.406 -11.771 1.00 0.00 C ATOM 1090 O ALA A 74 -9.215 3.496 -11.572 1.00 0.00 O ATOM 1091 CB ALA A 74 -9.277 -0.049 -11.955 1.00 0.00 C ATOM 0 H ALA A 74 -9.680 1.115 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.204 1.318 -10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.635 0.131 -12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.929 -0.934 -11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.301 -0.208 -12.292 1.00 0.00 H new ATOM 1097 N HIS A 75 -10.684 2.253 -12.632 1.00 0.00 N ATOM 1098 CA HIS A 75 -11.198 3.427 -13.391 1.00 0.00 C ATOM 1099 C HIS A 75 -12.296 4.120 -12.583 1.00 0.00 C ATOM 1100 O HIS A 75 -12.661 3.681 -11.510 1.00 0.00 O ATOM 1101 CB HIS A 75 -11.770 2.957 -14.730 1.00 0.00 C ATOM 1102 CG HIS A 75 -11.320 3.888 -15.821 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -12.015 4.020 -17.014 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -10.248 4.740 -15.916 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -11.359 4.922 -17.768 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -10.274 5.392 -17.146 1.00 0.00 N ATOM 0 H HIS A 75 -11.142 1.366 -12.842 1.00 0.00 H new ATOM 0 HA HIS A 75 -10.383 4.128 -13.569 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.437 1.941 -14.944 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -12.859 2.932 -14.684 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.498 4.883 -15.152 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.672 5.228 -18.755 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.608 6.080 -17.497 1.00 0.00 H new ATOM 1114 N GLU A 76 -12.825 5.201 -13.088 1.00 0.00 N ATOM 1115 CA GLU A 76 -13.899 5.922 -12.348 1.00 0.00 C ATOM 1116 C GLU A 76 -13.307 6.572 -11.097 1.00 0.00 C ATOM 1117 O GLU A 76 -14.021 7.034 -10.229 1.00 0.00 O ATOM 1118 CB GLU A 76 -14.991 4.930 -11.942 1.00 0.00 C ATOM 1119 CG GLU A 76 -15.310 4.011 -13.122 1.00 0.00 C ATOM 1120 CD GLU A 76 -16.048 4.803 -14.203 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -15.487 5.772 -14.686 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -17.163 4.427 -14.527 1.00 0.00 O ATOM 0 H GLU A 76 -12.560 5.616 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.329 6.693 -12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.661 4.340 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.888 5.467 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.390 3.591 -13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.922 3.173 -12.789 1.00 0.00 H new ATOM 1129 N THR A 77 -12.008 6.612 -10.995 1.00 0.00 N ATOM 1130 CA THR A 77 -11.372 7.233 -9.799 1.00 0.00 C ATOM 1131 C THR A 77 -10.507 8.416 -10.238 1.00 0.00 C ATOM 1132 O THR A 77 -10.093 9.226 -9.434 1.00 0.00 O ATOM 1133 CB THR A 77 -10.498 6.196 -9.091 1.00 0.00 C ATOM 1134 OG1 THR A 77 -9.817 5.411 -10.060 1.00 0.00 O ATOM 1135 CG2 THR A 77 -11.376 5.292 -8.224 1.00 0.00 C ATOM 0 H THR A 77 -11.358 6.241 -11.689 1.00 0.00 H new ATOM 0 HA THR A 77 -12.146 7.583 -9.116 1.00 0.00 H new ATOM 0 HB THR A 77 -9.770 6.705 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.270 4.547 -10.158 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.752 4.554 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.897 5.895 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.106 4.782 -8.853 1.00 0.00 H new ATOM 1143 N ASP A 78 -10.230 8.521 -11.509 1.00 0.00 N ATOM 1144 CA ASP A 78 -9.391 9.653 -11.997 1.00 0.00 C ATOM 1145 C ASP A 78 -10.295 10.809 -12.428 1.00 0.00 C ATOM 1146 O ASP A 78 -10.111 11.939 -12.021 1.00 0.00 O ATOM 1147 CB ASP A 78 -8.553 9.189 -13.191 1.00 0.00 C ATOM 1148 CG ASP A 78 -7.082 9.525 -12.943 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -6.764 10.701 -12.883 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -6.297 8.599 -12.816 1.00 0.00 O ATOM 0 H ASP A 78 -10.548 7.873 -12.230 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.731 9.987 -11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.672 8.115 -13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.899 9.675 -14.103 1.00 0.00 H new ATOM 1155 N LYS A 79 -11.273 10.537 -13.250 1.00 0.00 N ATOM 1156 CA LYS A 79 -12.186 11.623 -13.706 1.00 0.00 C ATOM 1157 C LYS A 79 -13.515 11.014 -14.160 1.00 0.00 C ATOM 1158 O LYS A 79 -13.665 9.810 -14.232 1.00 0.00 O ATOM 1159 CB LYS A 79 -11.543 12.372 -14.875 1.00 0.00 C ATOM 1160 CG LYS A 79 -11.108 13.763 -14.411 1.00 0.00 C ATOM 1161 CD LYS A 79 -11.705 14.821 -15.342 1.00 0.00 C ATOM 1162 CE LYS A 79 -11.796 16.158 -14.604 1.00 0.00 C ATOM 1163 NZ LYS A 79 -10.428 16.613 -14.229 1.00 0.00 N ATOM 0 H LYS A 79 -11.478 9.611 -13.625 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.365 12.317 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.683 11.816 -15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.250 12.457 -15.700 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.438 13.936 -13.387 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.020 13.835 -14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.087 14.927 -16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.695 14.510 -15.676 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.278 16.903 -15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.413 16.052 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.460 17.613 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.077 16.040 -13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.790 16.504 -15.043 1.00 0.00 H new ATOM 1177 N SER A 80 -14.480 11.837 -14.468 1.00 0.00 N ATOM 1178 CA SER A 80 -15.797 11.305 -14.918 1.00 0.00 C ATOM 1179 C SER A 80 -15.979 11.591 -16.409 1.00 0.00 C ATOM 1180 O SER A 80 -15.006 11.481 -17.138 1.00 0.00 O ATOM 1181 CB SER A 80 -16.918 11.982 -14.128 1.00 0.00 C ATOM 1182 OG SER A 80 -16.437 13.207 -13.589 1.00 0.00 O ATOM 1183 OXT SER A 80 -17.089 11.918 -16.799 1.00 0.00 O ATOM 0 H SER A 80 -14.413 12.854 -14.427 1.00 0.00 H new ATOM 0 HA SER A 80 -15.832 10.229 -14.747 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.775 12.168 -14.776 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.260 11.328 -13.326 1.00 0.00 H new ATOM 0 HG SER A 80 -16.161 13.800 -14.319 1.00 0.00 H new TER 1189 SER A 80