USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 420 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 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 90:sc= -1.09 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.29) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 33 SER OG : rot -81:sc= -0.0109 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 82:sc= -1.91 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -12.457 -12.068 -4.418 1.00 0.00 N ATOM 2 CA GLN A 11 -11.081 -12.391 -3.955 1.00 0.00 C ATOM 3 C GLN A 11 -10.889 -12.015 -2.489 1.00 0.00 C ATOM 4 O GLN A 11 -11.591 -11.151 -1.964 1.00 0.00 O ATOM 5 CB GLN A 11 -10.081 -11.634 -4.834 1.00 0.00 C ATOM 6 CG GLN A 11 -9.362 -12.519 -5.838 1.00 0.00 C ATOM 7 CD GLN A 11 -7.906 -12.133 -6.017 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.586 -10.969 -6.255 1.00 0.00 O ATOM 9 NE2 GLN A 11 -7.015 -13.111 -5.902 1.00 0.00 N ATOM 0 HA GLN A 11 -10.917 -13.465 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.607 -10.844 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.343 -11.149 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.421 -13.557 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.871 -12.459 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.325 -14.062 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.021 -12.911 -6.012 1.00 0.00 H new ATOM 18 N ALA A 12 -9.936 -12.669 -1.834 1.00 0.00 N ATOM 19 CA ALA A 12 -9.653 -12.403 -0.429 1.00 0.00 C ATOM 20 C ALA A 12 -8.306 -11.705 -0.263 1.00 0.00 C ATOM 21 O ALA A 12 -7.263 -12.256 -0.614 1.00 0.00 O ATOM 22 CB ALA A 12 -9.680 -13.698 0.368 1.00 0.00 C ATOM 0 H ALA A 12 -9.346 -13.387 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.427 -11.737 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.467 -13.485 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.665 -14.157 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.927 -14.382 -0.023 1.00 0.00 H new ATOM 28 N CYS A 13 -8.338 -10.489 0.273 1.00 0.00 N ATOM 29 CA CYS A 13 -7.121 -9.714 0.485 1.00 0.00 C ATOM 30 C CYS A 13 -6.871 -9.496 1.975 1.00 0.00 C ATOM 31 O CYS A 13 -7.809 -9.399 2.766 1.00 0.00 O ATOM 32 CB CYS A 13 -7.218 -8.366 -0.240 1.00 0.00 C ATOM 33 SG CYS A 13 -5.933 -7.156 0.223 1.00 0.00 S ATOM 0 H CYS A 13 -9.194 -10.019 0.568 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.281 -10.275 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.162 -8.542 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.197 -7.931 -0.039 1.00 0.00 H new ATOM 38 N THR A 14 -5.598 -9.416 2.346 1.00 0.00 N ATOM 39 CA THR A 14 -5.218 -9.207 3.737 1.00 0.00 C ATOM 40 C THR A 14 -4.943 -7.732 4.005 1.00 0.00 C ATOM 41 O THR A 14 -4.010 -7.153 3.447 1.00 0.00 O ATOM 42 CB THR A 14 -3.982 -10.041 4.080 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.562 -9.791 5.408 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.807 -9.770 3.166 1.00 0.00 C ATOM 0 H THR A 14 -4.811 -9.493 1.701 1.00 0.00 H new ATOM 0 HA THR A 14 -6.047 -9.525 4.369 1.00 0.00 H new ATOM 0 HB THR A 14 -4.288 -11.079 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.010 -10.415 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.964 -10.393 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.085 -10.002 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.525 -8.720 3.238 1.00 0.00 H new ATOM 52 N LEU A 15 -5.758 -7.129 4.862 1.00 0.00 N ATOM 53 CA LEU A 15 -5.601 -5.720 5.203 1.00 0.00 C ATOM 54 C LEU A 15 -4.232 -5.465 5.831 1.00 0.00 C ATOM 55 O LEU A 15 -3.565 -6.395 6.284 1.00 0.00 O ATOM 56 CB LEU A 15 -6.708 -5.274 6.161 1.00 0.00 C ATOM 57 CG LEU A 15 -7.064 -6.281 7.259 1.00 0.00 C ATOM 58 CD1 LEU A 15 -7.278 -5.571 8.588 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.304 -7.075 6.872 1.00 0.00 C ATOM 0 H LEU A 15 -6.534 -7.593 5.334 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.676 -5.139 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.404 -4.339 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.605 -5.061 5.580 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.231 -6.975 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.530 -6.303 9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.365 -5.047 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.092 -4.853 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.543 -7.786 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.143 -6.394 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.115 -7.615 5.944 1.00 0.00 H new ATOM 71 N PRO A 16 -3.792 -4.194 5.863 1.00 0.00 N ATOM 72 CA PRO A 16 -2.495 -3.822 6.438 1.00 0.00 C ATOM 73 C PRO A 16 -2.287 -4.410 7.830 1.00 0.00 C ATOM 74 O PRO A 16 -1.156 -4.657 8.249 1.00 0.00 O ATOM 75 CB PRO A 16 -2.563 -2.297 6.506 1.00 0.00 C ATOM 76 CG PRO A 16 -3.508 -1.914 5.420 1.00 0.00 C ATOM 77 CD PRO A 16 -4.523 -3.023 5.342 1.00 0.00 C ATOM 0 HA PRO A 16 -1.662 -4.199 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.919 -1.959 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.581 -1.849 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.988 -0.960 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.985 -1.797 4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.406 -2.802 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.864 -3.185 4.319 1.00 0.00 H new ATOM 85 N ASN A 17 -3.386 -4.633 8.543 1.00 0.00 N ATOM 86 CA ASN A 17 -3.326 -5.195 9.888 1.00 0.00 C ATOM 87 C ASN A 17 -3.196 -6.716 9.844 1.00 0.00 C ATOM 88 O ASN A 17 -2.817 -7.343 10.833 1.00 0.00 O ATOM 89 CB ASN A 17 -4.570 -4.800 10.684 1.00 0.00 C ATOM 90 CG ASN A 17 -4.404 -3.473 11.396 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.526 -2.410 10.788 1.00 0.00 O ATOM 92 ND2 ASN A 17 -4.123 -3.527 12.692 1.00 0.00 N ATOM 0 H ASN A 17 -4.330 -4.433 8.212 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.442 -4.791 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.426 -4.743 10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.791 -5.577 11.416 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.999 -2.665 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.031 -4.430 13.157 1.00 0.00 H new ATOM 99 N ASN A 18 -3.510 -7.307 8.693 1.00 0.00 N ATOM 100 CA ASN A 18 -3.428 -8.755 8.522 1.00 0.00 C ATOM 101 C ASN A 18 -4.506 -9.463 9.335 1.00 0.00 C ATOM 102 O ASN A 18 -4.268 -9.881 10.470 1.00 0.00 O ATOM 103 CB ASN A 18 -2.043 -9.265 8.932 1.00 0.00 C ATOM 104 CG ASN A 18 -1.784 -10.680 8.453 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.382 -11.635 8.950 1.00 0.00 O ATOM 106 ND2 ASN A 18 -0.890 -10.822 7.481 1.00 0.00 N ATOM 0 H ASN A 18 -3.824 -6.804 7.863 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.590 -8.978 7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.279 -8.601 8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.952 -9.229 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.675 -11.750 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.418 -10.003 7.098 1.00 0.00 H new ATOM 113 N ASP A 19 -5.691 -9.595 8.748 1.00 0.00 N ATOM 114 CA ASP A 19 -6.806 -10.255 9.416 1.00 0.00 C ATOM 115 C ASP A 19 -7.790 -10.830 8.400 1.00 0.00 C ATOM 116 O ASP A 19 -8.973 -10.999 8.696 1.00 0.00 O ATOM 117 CB ASP A 19 -7.528 -9.271 10.340 1.00 0.00 C ATOM 118 CG ASP A 19 -6.583 -8.589 11.309 1.00 0.00 C ATOM 119 OD1 ASP A 19 -5.974 -7.568 10.925 1.00 0.00 O ATOM 120 OD2 ASP A 19 -6.453 -9.074 12.452 1.00 0.00 O ATOM 0 H ASP A 19 -5.904 -9.253 7.811 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.405 -11.076 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.034 -8.516 9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.298 -9.801 10.900 1.00 0.00 H new ATOM 125 N LYS A 20 -7.293 -11.130 7.202 1.00 0.00 N ATOM 126 CA LYS A 20 -8.129 -11.687 6.144 1.00 0.00 C ATOM 127 C LYS A 20 -9.217 -10.698 5.735 1.00 0.00 C ATOM 128 O LYS A 20 -9.831 -10.051 6.583 1.00 0.00 O ATOM 129 CB LYS A 20 -8.766 -13.002 6.601 1.00 0.00 C ATOM 130 CG LYS A 20 -7.797 -13.931 7.315 1.00 0.00 C ATOM 131 CD LYS A 20 -6.639 -14.329 6.413 1.00 0.00 C ATOM 132 CE LYS A 20 -5.379 -13.549 6.746 1.00 0.00 C ATOM 133 NZ LYS A 20 -4.151 -14.250 6.280 1.00 0.00 N ATOM 0 H LYS A 20 -6.316 -10.996 6.941 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.494 -11.882 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.601 -12.780 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.178 -13.517 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.411 -13.439 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.326 -14.825 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.445 -15.397 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.911 -14.155 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.431 -12.563 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.322 -13.395 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.314 -13.685 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.088 -15.181 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.193 -14.375 5.248 1.00 0.00 H new ATOM 147 N GLY A 21 -9.451 -10.585 4.432 1.00 0.00 N ATOM 148 CA GLY A 21 -10.465 -9.670 3.941 1.00 0.00 C ATOM 149 C GLY A 21 -10.955 -10.026 2.552 1.00 0.00 C ATOM 150 O GLY A 21 -10.891 -11.183 2.137 1.00 0.00 O ATOM 0 H GLY A 21 -8.958 -11.109 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.310 -9.668 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.060 -8.658 3.930 1.00 0.00 H new ATOM 154 N THR A 22 -11.452 -9.023 1.836 1.00 0.00 N ATOM 155 CA THR A 22 -11.965 -9.218 0.484 1.00 0.00 C ATOM 156 C THR A 22 -11.366 -8.192 -0.473 1.00 0.00 C ATOM 157 O THR A 22 -11.086 -7.060 -0.082 1.00 0.00 O ATOM 158 CB THR A 22 -13.491 -9.116 0.474 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.043 -9.730 1.625 1.00 0.00 O ATOM 160 CG2 THR A 22 -14.127 -9.758 -0.740 1.00 0.00 C ATOM 0 H THR A 22 -11.511 -8.062 2.172 1.00 0.00 H new ATOM 0 HA THR A 22 -11.676 -10.214 0.150 1.00 0.00 H new ATOM 0 HB THR A 22 -13.708 -8.048 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.020 -9.653 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.210 -9.650 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.760 -9.271 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.869 -10.817 -0.769 1.00 0.00 H new ATOM 168 N CYS A 23 -11.165 -8.593 -1.724 1.00 0.00 N ATOM 169 CA CYS A 23 -10.591 -7.698 -2.723 1.00 0.00 C ATOM 170 C CYS A 23 -11.570 -7.460 -3.869 1.00 0.00 C ATOM 171 O CYS A 23 -11.999 -8.394 -4.545 1.00 0.00 O ATOM 172 CB CYS A 23 -9.278 -8.283 -3.258 1.00 0.00 C ATOM 173 SG CYS A 23 -8.709 -7.574 -4.842 1.00 0.00 S ATOM 0 H CYS A 23 -11.389 -9.526 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.386 -6.738 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.499 -8.134 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.400 -9.359 -3.381 1.00 0.00 H new ATOM 178 N LYS A 24 -11.908 -6.192 -4.079 1.00 0.00 N ATOM 179 CA LYS A 24 -12.825 -5.802 -5.142 1.00 0.00 C ATOM 180 C LYS A 24 -12.426 -4.446 -5.716 1.00 0.00 C ATOM 181 O LYS A 24 -11.586 -3.749 -5.151 1.00 0.00 O ATOM 182 CB LYS A 24 -14.260 -5.745 -4.614 1.00 0.00 C ATOM 183 CG LYS A 24 -14.446 -4.771 -3.461 1.00 0.00 C ATOM 184 CD LYS A 24 -15.868 -4.806 -2.926 1.00 0.00 C ATOM 185 CE LYS A 24 -16.079 -5.980 -1.983 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.361 -5.867 -1.232 1.00 0.00 N ATOM 0 H LYS A 24 -11.557 -5.413 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.772 -6.549 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.927 -5.463 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.558 -6.742 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.749 -5.016 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.206 -3.761 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.084 -3.874 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.569 -4.875 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.073 -6.909 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.249 -6.033 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.467 -6.687 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.357 -4.993 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.155 -5.842 -1.903 1.00 0.00 H new ATOM 200 N SER A 25 -13.035 -4.075 -6.836 1.00 0.00 N ATOM 201 CA SER A 25 -12.737 -2.796 -7.472 1.00 0.00 C ATOM 202 C SER A 25 -13.095 -1.642 -6.540 1.00 0.00 C ATOM 203 O SER A 25 -13.556 -1.859 -5.420 1.00 0.00 O ATOM 204 CB SER A 25 -13.504 -2.662 -8.788 1.00 0.00 C ATOM 205 OG SER A 25 -12.922 -3.463 -9.801 1.00 0.00 O ATOM 0 H SER A 25 -13.734 -4.637 -7.321 1.00 0.00 H new ATOM 0 HA SER A 25 -11.668 -2.759 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.543 -2.957 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.511 -1.619 -9.104 1.00 0.00 H new ATOM 0 HG SER A 25 -13.432 -3.361 -10.632 1.00 0.00 H new ATOM 211 N LEU A 26 -12.885 -0.416 -7.008 1.00 0.00 N ATOM 212 CA LEU A 26 -13.191 0.766 -6.208 1.00 0.00 C ATOM 213 C LEU A 26 -14.580 1.306 -6.540 1.00 0.00 C ATOM 214 O LEU A 26 -14.845 2.499 -6.388 1.00 0.00 O ATOM 215 CB LEU A 26 -12.138 1.854 -6.434 1.00 0.00 C ATOM 216 CG LEU A 26 -12.090 2.428 -7.853 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.940 3.685 -7.952 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.653 2.724 -8.258 1.00 0.00 C ATOM 0 H LEU A 26 -12.506 -0.215 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.177 0.473 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.325 2.669 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.157 1.445 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.497 1.684 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.893 4.077 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.974 3.446 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.564 4.434 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.636 3.131 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.222 3.449 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.070 1.804 -8.228 1.00 0.00 H new ATOM 230 N LEU A 27 -15.464 0.420 -6.990 1.00 0.00 N ATOM 231 CA LEU A 27 -16.826 0.807 -7.339 1.00 0.00 C ATOM 232 C LEU A 27 -17.822 -0.264 -6.909 1.00 0.00 C ATOM 233 O LEU A 27 -18.883 -0.421 -7.516 1.00 0.00 O ATOM 234 CB LEU A 27 -16.940 1.049 -8.846 1.00 0.00 C ATOM 235 CG LEU A 27 -15.950 2.066 -9.415 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.831 1.909 -10.923 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.375 3.481 -9.057 1.00 0.00 C ATOM 0 H LEU A 27 -15.261 -0.571 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.061 1.731 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.799 0.100 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.952 1.386 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.972 1.879 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.122 2.641 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.480 0.904 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.806 2.069 -11.384 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.659 4.191 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.363 3.680 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.408 3.588 -7.973 1.00 0.00 H new ATOM 249 N GLN A 28 -17.476 -1.002 -5.858 1.00 0.00 N ATOM 250 CA GLN A 28 -18.341 -2.059 -5.348 1.00 0.00 C ATOM 251 C GLN A 28 -18.581 -1.891 -3.852 1.00 0.00 C ATOM 252 O GLN A 28 -19.720 -1.935 -3.387 1.00 0.00 O ATOM 253 CB GLN A 28 -17.722 -3.431 -5.626 1.00 0.00 C ATOM 254 CG GLN A 28 -17.706 -3.803 -7.099 1.00 0.00 C ATOM 255 CD GLN A 28 -17.276 -5.237 -7.335 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.986 -6.178 -6.976 1.00 0.00 O ATOM 257 NE2 GLN A 28 -16.107 -5.414 -7.938 1.00 0.00 N ATOM 0 H GLN A 28 -16.603 -0.887 -5.344 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.300 -1.989 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.701 -3.444 -5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.277 -4.190 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.701 -3.653 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.031 -3.133 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.551 -4.607 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.765 -6.357 -8.121 1.00 0.00 H new ATOM 266 N CYS A 29 -17.500 -1.698 -3.102 1.00 0.00 N ATOM 267 CA CYS A 29 -17.595 -1.522 -1.656 1.00 0.00 C ATOM 268 C CYS A 29 -18.475 -0.323 -1.312 1.00 0.00 C ATOM 269 O CYS A 29 -18.144 0.817 -1.641 1.00 0.00 O ATOM 270 CB CYS A 29 -16.202 -1.338 -1.051 1.00 0.00 C ATOM 271 SG CYS A 29 -15.995 -2.110 0.587 1.00 0.00 S ATOM 0 H CYS A 29 -16.550 -1.660 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.050 -2.418 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.463 -1.756 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.992 -0.272 -0.968 1.00 0.00 H new ATOM 276 N ASP A 30 -19.598 -0.589 -0.652 1.00 0.00 N ATOM 277 CA ASP A 30 -20.526 0.467 -0.267 1.00 0.00 C ATOM 278 C ASP A 30 -19.841 1.501 0.621 1.00 0.00 C ATOM 279 O ASP A 30 -20.168 2.686 0.577 1.00 0.00 O ATOM 280 CB ASP A 30 -21.734 -0.131 0.461 1.00 0.00 C ATOM 281 CG ASP A 30 -22.959 -0.217 -0.426 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.861 -0.816 -1.518 1.00 0.00 O ATOM 283 OD2 ASP A 30 -24.018 0.316 -0.031 1.00 0.00 O ATOM 0 H ASP A 30 -19.887 -1.527 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.866 0.967 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.480 -1.127 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.965 0.476 1.336 1.00 0.00 H new ATOM 288 N VAL A 31 -18.887 1.043 1.426 1.00 0.00 N ATOM 289 CA VAL A 31 -18.156 1.930 2.321 1.00 0.00 C ATOM 290 C VAL A 31 -17.244 2.867 1.538 1.00 0.00 C ATOM 291 O VAL A 31 -17.170 4.061 1.820 1.00 0.00 O ATOM 292 CB VAL A 31 -17.312 1.137 3.335 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.701 2.069 4.371 1.00 0.00 C ATOM 294 CG2 VAL A 31 -18.155 0.063 4.005 1.00 0.00 C ATOM 0 H VAL A 31 -18.603 0.064 1.476 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.899 2.517 2.862 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.499 0.648 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.108 1.489 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.061 2.797 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.495 2.590 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.542 -0.488 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.990 0.529 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.538 -0.623 3.250 1.00 0.00 H new ATOM 304 N ALA A 32 -16.552 2.316 0.552 1.00 0.00 N ATOM 305 CA ALA A 32 -15.649 3.102 -0.276 1.00 0.00 C ATOM 306 C ALA A 32 -16.415 4.135 -1.092 1.00 0.00 C ATOM 307 O ALA A 32 -15.943 5.250 -1.303 1.00 0.00 O ATOM 308 CB ALA A 32 -14.843 2.193 -1.190 1.00 0.00 C ATOM 0 H ALA A 32 -16.598 1.327 0.306 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.962 3.634 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.172 2.795 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.258 1.498 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.520 1.633 -1.835 1.00 0.00 H new ATOM 314 N SER A 33 -17.602 3.751 -1.551 1.00 0.00 N ATOM 315 CA SER A 33 -18.436 4.640 -2.352 1.00 0.00 C ATOM 316 C SER A 33 -18.959 5.808 -1.523 1.00 0.00 C ATOM 317 O SER A 33 -19.089 6.924 -2.025 1.00 0.00 O ATOM 318 CB SER A 33 -19.607 3.862 -2.956 1.00 0.00 C ATOM 319 OG SER A 33 -19.940 2.739 -2.159 1.00 0.00 O ATOM 0 H SER A 33 -18.008 2.831 -1.382 1.00 0.00 H new ATOM 0 HA SER A 33 -17.819 5.045 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.474 4.517 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.348 3.533 -3.963 1.00 0.00 H new ATOM 0 HG SER A 33 -19.325 2.002 -2.358 1.00 0.00 H new ATOM 325 N LYS A 34 -19.264 5.548 -0.257 1.00 0.00 N ATOM 326 CA LYS A 34 -19.778 6.590 0.627 1.00 0.00 C ATOM 327 C LYS A 34 -18.693 7.610 0.958 1.00 0.00 C ATOM 328 O LYS A 34 -18.976 8.799 1.119 1.00 0.00 O ATOM 329 CB LYS A 34 -20.353 5.977 1.911 1.00 0.00 C ATOM 330 CG LYS A 34 -19.307 5.407 2.857 1.00 0.00 C ATOM 331 CD LYS A 34 -19.762 5.489 4.304 1.00 0.00 C ATOM 332 CE LYS A 34 -19.122 4.402 5.154 1.00 0.00 C ATOM 333 NZ LYS A 34 -20.139 3.500 5.761 1.00 0.00 N ATOM 0 H LYS A 34 -19.166 4.631 0.179 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.581 7.109 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.926 6.740 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.051 5.185 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.106 4.368 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.371 5.952 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.507 6.467 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.847 5.397 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.438 3.816 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.527 4.862 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.662 2.774 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.776 4.054 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.690 3.041 5.008 1.00 0.00 H new ATOM 347 N ILE A 35 -17.451 7.146 1.053 1.00 0.00 N ATOM 348 CA ILE A 35 -16.328 8.026 1.357 1.00 0.00 C ATOM 349 C ILE A 35 -16.013 8.933 0.171 1.00 0.00 C ATOM 350 O ILE A 35 -15.734 10.119 0.340 1.00 0.00 O ATOM 351 CB ILE A 35 -15.063 7.226 1.731 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.376 6.230 2.849 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.941 8.164 2.151 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.512 4.988 2.812 1.00 0.00 C ATOM 0 H ILE A 35 -17.197 6.167 0.924 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.623 8.633 2.213 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.733 6.670 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.246 6.724 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.423 5.936 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.057 7.581 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.702 8.837 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.258 8.747 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.789 4.327 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.659 4.470 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.464 5.271 2.912 1.00 0.00 H new ATOM 366 N ILE A 36 -16.063 8.361 -1.026 1.00 0.00 N ATOM 367 CA ILE A 36 -15.787 9.111 -2.245 1.00 0.00 C ATOM 368 C ILE A 36 -16.943 10.045 -2.584 1.00 0.00 C ATOM 369 O ILE A 36 -16.739 11.140 -3.107 1.00 0.00 O ATOM 370 CB ILE A 36 -15.532 8.165 -3.436 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.425 7.163 -3.091 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.175 8.960 -4.686 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.033 7.759 -3.105 1.00 0.00 C ATOM 0 H ILE A 36 -16.292 7.379 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.889 9.702 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.447 7.609 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.621 6.745 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.463 6.336 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.999 8.275 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.997 9.630 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.274 9.544 -4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.305 6.989 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.815 8.151 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.976 8.567 -2.375 1.00 0.00 H new ATOM 385 N SER A 37 -18.158 9.605 -2.278 1.00 0.00 N ATOM 386 CA SER A 37 -19.351 10.400 -2.547 1.00 0.00 C ATOM 387 C SER A 37 -19.585 11.431 -1.445 1.00 0.00 C ATOM 388 O SER A 37 -20.304 12.410 -1.642 1.00 0.00 O ATOM 389 CB SER A 37 -20.576 9.494 -2.680 1.00 0.00 C ATOM 390 OG SER A 37 -20.614 8.868 -3.950 1.00 0.00 O ATOM 0 H SER A 37 -18.343 8.701 -1.843 1.00 0.00 H new ATOM 0 HA SER A 37 -19.195 10.930 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.557 8.735 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.483 10.080 -2.533 1.00 0.00 H new ATOM 0 HG SER A 37 -21.406 8.293 -4.008 1.00 0.00 H new ATOM 396 N LYS A 38 -18.975 11.205 -0.282 1.00 0.00 N ATOM 397 CA LYS A 38 -19.122 12.115 0.848 1.00 0.00 C ATOM 398 C LYS A 38 -18.744 13.543 0.454 1.00 0.00 C ATOM 399 O LYS A 38 -19.607 14.347 0.102 1.00 0.00 O ATOM 400 CB LYS A 38 -18.268 11.640 2.026 1.00 0.00 C ATOM 401 CG LYS A 38 -19.080 11.028 3.158 1.00 0.00 C ATOM 402 CD LYS A 38 -19.153 11.956 4.360 1.00 0.00 C ATOM 403 CE LYS A 38 -17.797 12.107 5.032 1.00 0.00 C ATOM 404 NZ LYS A 38 -17.504 10.971 5.948 1.00 0.00 N ATOM 0 H LYS A 38 -18.376 10.400 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.169 12.115 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.547 10.905 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.697 12.484 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.088 10.808 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.632 10.080 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.514 12.935 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.875 11.567 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.019 12.170 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.771 13.042 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.571 11.110 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.232 10.926 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.503 10.082 5.409 1.00 0.00 H new ATOM 418 N LYS A 39 -17.452 13.854 0.515 1.00 0.00 N ATOM 419 CA LYS A 39 -16.964 15.185 0.162 1.00 0.00 C ATOM 420 C LYS A 39 -15.479 15.336 0.499 1.00 0.00 C ATOM 421 O LYS A 39 -14.655 15.557 -0.387 1.00 0.00 O ATOM 422 CB LYS A 39 -17.774 16.268 0.884 1.00 0.00 C ATOM 423 CG LYS A 39 -18.414 17.276 -0.059 1.00 0.00 C ATOM 424 CD LYS A 39 -19.933 17.261 0.046 1.00 0.00 C ATOM 425 CE LYS A 39 -20.464 18.548 0.657 1.00 0.00 C ATOM 426 NZ LYS A 39 -20.931 19.505 -0.383 1.00 0.00 N ATOM 0 H LYS A 39 -16.723 13.202 0.806 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.089 15.307 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.554 15.792 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.121 16.796 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.043 18.275 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.118 17.054 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.366 17.122 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.248 16.412 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -21.287 18.316 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.682 19.015 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.285 20.369 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.140 19.746 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.695 19.069 -0.938 1.00 0.00 H new ATOM 440 N PRO A 40 -15.120 15.223 1.792 1.00 0.00 N ATOM 441 CA PRO A 40 -13.727 15.354 2.236 1.00 0.00 C ATOM 442 C PRO A 40 -12.820 14.282 1.641 1.00 0.00 C ATOM 443 O PRO A 40 -13.267 13.180 1.325 1.00 0.00 O ATOM 444 CB PRO A 40 -13.813 15.199 3.759 1.00 0.00 C ATOM 445 CG PRO A 40 -15.107 14.506 4.007 1.00 0.00 C ATOM 446 CD PRO A 40 -16.033 14.963 2.918 1.00 0.00 C ATOM 0 HA PRO A 40 -13.292 16.301 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.975 14.618 4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.784 16.169 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.981 13.424 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.504 14.760 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.772 14.201 2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.583 15.859 3.206 1.00 0.00 H new ATOM 454 N ARG A 41 -11.543 14.618 1.494 1.00 0.00 N ATOM 455 CA ARG A 41 -10.565 13.690 0.939 1.00 0.00 C ATOM 456 C ARG A 41 -9.147 14.210 1.159 1.00 0.00 C ATOM 457 O ARG A 41 -8.724 15.174 0.523 1.00 0.00 O ATOM 458 CB ARG A 41 -10.820 13.480 -0.555 1.00 0.00 C ATOM 459 CG ARG A 41 -10.768 12.020 -0.980 1.00 0.00 C ATOM 460 CD ARG A 41 -9.722 11.789 -2.061 1.00 0.00 C ATOM 461 NE ARG A 41 -10.027 10.614 -2.876 1.00 0.00 N ATOM 462 CZ ARG A 41 -10.919 10.609 -3.864 1.00 0.00 C ATOM 463 NH1 ARG A 41 -11.594 11.711 -4.165 1.00 0.00 N ATOM 464 NH2 ARG A 41 -11.135 9.498 -4.554 1.00 0.00 N ATOM 0 H ARG A 41 -11.161 15.528 1.752 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.669 12.734 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.797 13.890 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.080 14.043 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.542 11.396 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.747 11.712 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.662 12.669 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.743 11.665 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.527 9.748 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.431 12.569 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.276 11.700 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.618 8.648 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.818 9.493 -5.311 1.00 0.00 H new ATOM 478 N THR A 42 -8.419 13.569 2.070 1.00 0.00 N ATOM 479 CA THR A 42 -7.053 13.976 2.377 1.00 0.00 C ATOM 480 C THR A 42 -6.045 12.938 1.892 1.00 0.00 C ATOM 481 O THR A 42 -6.419 11.891 1.361 1.00 0.00 O ATOM 482 CB THR A 42 -6.889 14.192 3.882 1.00 0.00 C ATOM 483 OG1 THR A 42 -8.129 14.535 4.477 1.00 0.00 O ATOM 484 CG2 THR A 42 -5.899 15.284 4.224 1.00 0.00 C ATOM 0 H THR A 42 -8.752 12.768 2.606 1.00 0.00 H new ATOM 0 HA THR A 42 -6.859 14.913 1.855 1.00 0.00 H new ATOM 0 HB THR A 42 -6.512 13.246 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.004 14.667 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.830 15.386 5.307 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.920 15.027 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.233 16.227 3.791 1.00 0.00 H new ATOM 492 N ALA A 43 -4.765 13.240 2.080 1.00 0.00 N ATOM 493 CA ALA A 43 -3.693 12.342 1.667 1.00 0.00 C ATOM 494 C ALA A 43 -3.741 11.031 2.442 1.00 0.00 C ATOM 495 O ALA A 43 -3.376 9.977 1.921 1.00 0.00 O ATOM 496 CB ALA A 43 -2.342 13.018 1.851 1.00 0.00 C ATOM 0 H ALA A 43 -4.444 14.104 2.518 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.833 12.111 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.549 12.338 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.303 13.923 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.205 13.278 2.901 1.00 0.00 H new ATOM 502 N GLN A 44 -4.185 11.105 3.692 1.00 0.00 N ATOM 503 CA GLN A 44 -4.272 9.924 4.543 1.00 0.00 C ATOM 504 C GLN A 44 -5.189 8.872 3.927 1.00 0.00 C ATOM 505 O GLN A 44 -4.977 7.671 4.101 1.00 0.00 O ATOM 506 CB GLN A 44 -4.781 10.310 5.932 1.00 0.00 C ATOM 507 CG GLN A 44 -3.839 11.228 6.694 1.00 0.00 C ATOM 508 CD GLN A 44 -4.464 11.784 7.959 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.758 11.045 8.898 1.00 0.00 O ATOM 510 NE2 GLN A 44 -4.670 13.096 7.988 1.00 0.00 N ATOM 0 H GLN A 44 -4.490 11.970 4.138 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.273 9.498 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.749 10.800 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.942 9.403 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.933 10.680 6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.540 12.053 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.411 13.671 7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.087 13.529 8.812 1.00 0.00 H new ATOM 519 N ASP A 45 -6.210 9.327 3.211 1.00 0.00 N ATOM 520 CA ASP A 45 -7.156 8.423 2.570 1.00 0.00 C ATOM 521 C ASP A 45 -6.509 7.685 1.401 1.00 0.00 C ATOM 522 O ASP A 45 -6.806 6.517 1.150 1.00 0.00 O ATOM 523 CB ASP A 45 -8.385 9.194 2.084 1.00 0.00 C ATOM 524 CG ASP A 45 -9.070 9.955 3.203 1.00 0.00 C ATOM 525 OD1 ASP A 45 -8.588 11.050 3.558 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.088 9.455 3.724 1.00 0.00 O ATOM 0 H ASP A 45 -6.404 10.317 3.060 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.466 7.686 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.086 9.893 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.093 8.498 1.635 1.00 0.00 H new ATOM 531 N GLU A 46 -5.628 8.377 0.688 1.00 0.00 N ATOM 532 CA GLU A 46 -4.943 7.788 -0.459 1.00 0.00 C ATOM 533 C GLU A 46 -3.941 6.729 -0.018 1.00 0.00 C ATOM 534 O GLU A 46 -3.798 5.691 -0.664 1.00 0.00 O ATOM 535 CB GLU A 46 -4.234 8.874 -1.273 1.00 0.00 C ATOM 536 CG GLU A 46 -4.193 8.585 -2.765 1.00 0.00 C ATOM 537 CD GLU A 46 -3.520 9.691 -3.554 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.766 10.480 -2.947 1.00 0.00 O ATOM 539 OE2 GLU A 46 -3.749 9.769 -4.779 1.00 0.00 O ATOM 0 H GLU A 46 -5.371 9.345 0.882 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.694 7.307 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.738 9.827 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.214 8.985 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.663 7.648 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.210 8.448 -3.133 1.00 0.00 H new ATOM 546 N LYS A 47 -3.255 6.991 1.085 1.00 0.00 N ATOM 547 CA LYS A 47 -2.277 6.046 1.606 1.00 0.00 C ATOM 548 C LYS A 47 -2.973 4.793 2.117 1.00 0.00 C ATOM 549 O LYS A 47 -2.470 3.680 1.961 1.00 0.00 O ATOM 550 CB LYS A 47 -1.452 6.684 2.723 1.00 0.00 C ATOM 551 CG LYS A 47 -2.291 7.206 3.876 1.00 0.00 C ATOM 552 CD LYS A 47 -1.424 7.649 5.045 1.00 0.00 C ATOM 553 CE LYS A 47 -1.813 6.936 6.331 1.00 0.00 C ATOM 554 NZ LYS A 47 -0.624 6.604 7.164 1.00 0.00 N ATOM 0 H LYS A 47 -3.356 7.845 1.634 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.603 5.768 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.743 5.950 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.868 7.506 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.898 8.044 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.979 6.428 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.377 7.448 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.519 8.726 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.493 7.566 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.354 6.021 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.932 6.119 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.013 5.982 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.122 7.479 7.416 1.00 0.00 H new ATOM 568 N PHE A 48 -4.137 4.983 2.731 1.00 0.00 N ATOM 569 CA PHE A 48 -4.908 3.868 3.268 1.00 0.00 C ATOM 570 C PHE A 48 -5.378 2.942 2.154 1.00 0.00 C ATOM 571 O PHE A 48 -5.274 1.721 2.267 1.00 0.00 O ATOM 572 CB PHE A 48 -6.108 4.383 4.064 1.00 0.00 C ATOM 573 CG PHE A 48 -6.676 3.371 5.016 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.248 2.199 4.544 1.00 0.00 C ATOM 575 CD2 PHE A 48 -6.639 3.590 6.385 1.00 0.00 C ATOM 576 CE1 PHE A 48 -7.772 1.267 5.419 1.00 0.00 C ATOM 577 CE2 PHE A 48 -7.161 2.660 7.264 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.728 1.496 6.781 1.00 0.00 C ATOM 0 H PHE A 48 -4.566 5.898 2.869 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.259 3.300 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.809 5.269 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.888 4.694 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.284 2.013 3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.197 4.498 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.216 0.359 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.126 2.843 8.328 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.136 0.767 7.466 1.00 0.00 H new ATOM 588 N LEU A 49 -5.888 3.526 1.077 1.00 0.00 N ATOM 589 CA LEU A 49 -6.361 2.736 -0.052 1.00 0.00 C ATOM 590 C LEU A 49 -5.179 2.137 -0.802 1.00 0.00 C ATOM 591 O LEU A 49 -5.248 1.011 -1.298 1.00 0.00 O ATOM 592 CB LEU A 49 -7.215 3.590 -0.995 1.00 0.00 C ATOM 593 CG LEU A 49 -6.522 4.826 -1.567 1.00 0.00 C ATOM 594 CD1 LEU A 49 -5.604 4.444 -2.720 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.555 5.848 -2.021 1.00 0.00 C ATOM 0 H LEU A 49 -5.984 4.535 0.962 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.984 1.927 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.548 2.965 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.108 3.910 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.912 5.274 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.121 5.339 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.844 3.748 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.189 3.972 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.047 6.723 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.189 5.407 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.170 6.146 -1.172 1.00 0.00 H new ATOM 607 N ARG A 50 -4.089 2.895 -0.869 1.00 0.00 N ATOM 608 CA ARG A 50 -2.881 2.440 -1.544 1.00 0.00 C ATOM 609 C ARG A 50 -2.249 1.276 -0.789 1.00 0.00 C ATOM 610 O ARG A 50 -1.714 0.348 -1.393 1.00 0.00 O ATOM 611 CB ARG A 50 -1.877 3.589 -1.670 1.00 0.00 C ATOM 612 CG ARG A 50 -0.597 3.203 -2.394 1.00 0.00 C ATOM 613 CD ARG A 50 -0.696 3.467 -3.888 1.00 0.00 C ATOM 614 NE ARG A 50 -0.333 2.293 -4.678 1.00 0.00 N ATOM 615 CZ ARG A 50 0.917 1.866 -4.841 1.00 0.00 C ATOM 616 NH1 ARG A 50 1.926 2.512 -4.271 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.159 0.789 -5.575 1.00 0.00 N ATOM 0 H ARG A 50 -4.019 3.828 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.156 2.099 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.349 4.416 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.625 3.951 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.240 3.765 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.387 2.147 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.713 3.770 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.043 4.298 -4.153 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.082 1.770 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.746 3.341 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.882 2.180 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.387 0.288 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.117 0.462 -5.700 1.00 0.00 H new ATOM 631 N GLU A 51 -2.315 1.334 0.538 1.00 0.00 N ATOM 632 CA GLU A 51 -1.750 0.285 1.378 1.00 0.00 C ATOM 633 C GLU A 51 -2.605 -0.976 1.321 1.00 0.00 C ATOM 634 O GLU A 51 -2.085 -2.091 1.287 1.00 0.00 O ATOM 635 CB GLU A 51 -1.627 0.767 2.825 1.00 0.00 C ATOM 636 CG GLU A 51 -0.423 0.196 3.557 1.00 0.00 C ATOM 637 CD GLU A 51 -0.254 0.781 4.945 1.00 0.00 C ATOM 638 OE1 GLU A 51 0.429 1.819 5.073 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.803 0.200 5.904 1.00 0.00 O ATOM 0 H GLU A 51 -2.754 2.097 1.054 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.756 0.048 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.564 1.855 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.533 0.497 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.528 -0.886 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.477 0.388 2.973 1.00 0.00 H new ATOM 646 N SER A 52 -3.918 -0.788 1.311 1.00 0.00 N ATOM 647 CA SER A 52 -4.852 -1.906 1.258 1.00 0.00 C ATOM 648 C SER A 52 -5.355 -2.124 -0.165 1.00 0.00 C ATOM 649 O SER A 52 -6.530 -2.423 -0.380 1.00 0.00 O ATOM 650 CB SER A 52 -6.033 -1.657 2.198 1.00 0.00 C ATOM 651 OG SER A 52 -5.588 -1.244 3.478 1.00 0.00 O ATOM 0 H SER A 52 -4.362 0.130 1.339 1.00 0.00 H new ATOM 0 HA SER A 52 -4.325 -2.804 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.686 -0.894 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.625 -2.567 2.292 1.00 0.00 H new ATOM 0 HG SER A 52 -5.397 -0.283 3.463 1.00 0.00 H new ATOM 657 N ALA A 53 -4.460 -1.969 -1.134 1.00 0.00 N ATOM 658 CA ALA A 53 -4.815 -2.148 -2.537 1.00 0.00 C ATOM 659 C ALA A 53 -4.296 -3.478 -3.070 1.00 0.00 C ATOM 660 O ALA A 53 -3.103 -3.631 -3.329 1.00 0.00 O ATOM 661 CB ALA A 53 -4.273 -0.996 -3.370 1.00 0.00 C ATOM 0 H ALA A 53 -3.484 -1.720 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.902 -2.156 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.546 -1.143 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.697 -0.058 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.187 -0.961 -3.280 1.00 0.00 H new ATOM 667 N CYS A 54 -5.201 -4.439 -3.230 1.00 0.00 N ATOM 668 CA CYS A 54 -4.835 -5.758 -3.735 1.00 0.00 C ATOM 669 C CYS A 54 -4.302 -5.668 -5.160 1.00 0.00 C ATOM 670 O CYS A 54 -5.019 -5.945 -6.121 1.00 0.00 O ATOM 671 CB CYS A 54 -6.038 -6.705 -3.688 1.00 0.00 C ATOM 672 SG CYS A 54 -7.595 -5.971 -4.288 1.00 0.00 S ATOM 0 H CYS A 54 -6.193 -4.329 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.047 -6.154 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.813 -7.589 -4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.181 -7.041 -2.661 1.00 0.00 H new ATOM 677 N GLY A 55 -3.038 -5.276 -5.290 1.00 0.00 N ATOM 678 CA GLY A 55 -2.429 -5.155 -6.601 1.00 0.00 C ATOM 679 C GLY A 55 -1.089 -4.447 -6.554 1.00 0.00 C ATOM 680 O GLY A 55 -0.897 -3.518 -5.770 1.00 0.00 O ATOM 0 H GLY A 55 -2.425 -5.040 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.297 -6.148 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.102 -4.609 -7.262 1.00 0.00 H new ATOM 684 N PHE A 56 -0.160 -4.888 -7.394 1.00 0.00 N ATOM 685 CA PHE A 56 1.171 -4.292 -7.447 1.00 0.00 C ATOM 686 C PHE A 56 1.410 -3.579 -8.778 1.00 0.00 C ATOM 687 O PHE A 56 2.350 -2.796 -8.910 1.00 0.00 O ATOM 688 CB PHE A 56 2.241 -5.365 -7.233 1.00 0.00 C ATOM 689 CG PHE A 56 2.176 -6.015 -5.880 1.00 0.00 C ATOM 690 CD1 PHE A 56 2.430 -5.282 -4.732 1.00 0.00 C ATOM 691 CD2 PHE A 56 1.861 -7.358 -5.757 1.00 0.00 C ATOM 692 CE1 PHE A 56 2.371 -5.876 -3.486 1.00 0.00 C ATOM 693 CE2 PHE A 56 1.799 -7.959 -4.514 1.00 0.00 C ATOM 694 CZ PHE A 56 2.055 -7.217 -3.376 1.00 0.00 C ATOM 0 H PHE A 56 -0.303 -5.657 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 56 1.236 -3.553 -6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.134 -6.131 -8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.226 -4.916 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.677 -4.234 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.661 -7.943 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.572 -5.293 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.551 -9.007 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.008 -7.684 -2.403 1.00 0.00 H new ATOM 704 N ASP A 57 0.557 -3.854 -9.763 1.00 0.00 N ATOM 705 CA ASP A 57 0.683 -3.238 -11.079 1.00 0.00 C ATOM 706 C ASP A 57 0.708 -1.715 -10.971 1.00 0.00 C ATOM 707 O ASP A 57 1.549 -1.054 -11.578 1.00 0.00 O ATOM 708 CB ASP A 57 -0.470 -3.677 -11.985 1.00 0.00 C ATOM 709 CG ASP A 57 -0.321 -5.112 -12.452 1.00 0.00 C ATOM 710 OD1 ASP A 57 0.795 -5.489 -12.866 1.00 0.00 O ATOM 711 OD2 ASP A 57 -1.322 -5.857 -12.403 1.00 0.00 O ATOM 0 H ASP A 57 -0.228 -4.499 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 57 1.626 -3.568 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.412 -3.568 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.519 -3.018 -12.852 1.00 0.00 H new ATOM 716 N GLY A 58 -0.219 -1.167 -10.191 1.00 0.00 N ATOM 717 CA GLY A 58 -0.282 0.273 -10.019 1.00 0.00 C ATOM 718 C GLY A 58 -1.397 0.908 -10.827 1.00 0.00 C ATOM 719 O GLY A 58 -2.227 1.636 -10.286 1.00 0.00 O ATOM 0 H GLY A 58 -0.926 -1.693 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.427 0.503 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.671 0.713 -10.313 1.00 0.00 H new ATOM 723 N GLN A 59 -1.415 0.631 -12.127 1.00 0.00 N ATOM 724 CA GLN A 59 -2.436 1.181 -13.011 1.00 0.00 C ATOM 725 C GLN A 59 -3.791 0.531 -12.749 1.00 0.00 C ATOM 726 O GLN A 59 -4.834 1.164 -12.909 1.00 0.00 O ATOM 727 CB GLN A 59 -2.033 0.985 -14.474 1.00 0.00 C ATOM 728 CG GLN A 59 -2.139 2.253 -15.307 1.00 0.00 C ATOM 729 CD GLN A 59 -2.308 1.968 -16.786 1.00 0.00 C ATOM 730 OE1 GLN A 59 -1.331 1.894 -17.531 1.00 0.00 O ATOM 731 NE2 GLN A 59 -3.553 1.807 -17.221 1.00 0.00 N ATOM 0 H GLN A 59 -0.735 0.029 -12.591 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.522 2.248 -12.807 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.007 0.618 -14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.665 0.215 -14.917 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.985 2.844 -14.956 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.244 2.857 -15.157 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.334 1.877 -16.569 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.728 1.614 -18.207 1.00 0.00 H new ATOM 740 N THR A 60 -3.766 -0.735 -12.347 1.00 0.00 N ATOM 741 CA THR A 60 -4.993 -1.472 -12.062 1.00 0.00 C ATOM 742 C THR A 60 -5.652 -0.957 -10.784 1.00 0.00 C ATOM 743 O THR A 60 -5.123 -1.143 -9.688 1.00 0.00 O ATOM 744 CB THR A 60 -4.691 -2.965 -11.928 1.00 0.00 C ATOM 745 OG1 THR A 60 -4.018 -3.447 -13.077 1.00 0.00 O ATOM 746 CG2 THR A 60 -5.932 -3.810 -11.735 1.00 0.00 C ATOM 0 H THR A 60 -2.910 -1.273 -12.211 1.00 0.00 H new ATOM 0 HA THR A 60 -5.683 -1.319 -12.892 1.00 0.00 H new ATOM 0 HB THR A 60 -4.066 -3.055 -11.039 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.833 -4.403 -12.970 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.648 -4.859 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.448 -3.496 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.595 -3.684 -12.591 1.00 0.00 H new ATOM 754 N PRO A 61 -6.822 -0.301 -10.901 1.00 0.00 N ATOM 755 CA PRO A 61 -7.543 0.236 -9.743 1.00 0.00 C ATOM 756 C PRO A 61 -8.209 -0.857 -8.915 1.00 0.00 C ATOM 757 O PRO A 61 -9.262 -1.376 -9.285 1.00 0.00 O ATOM 758 CB PRO A 61 -8.599 1.143 -10.376 1.00 0.00 C ATOM 759 CG PRO A 61 -8.847 0.549 -11.718 1.00 0.00 C ATOM 760 CD PRO A 61 -7.533 -0.029 -12.167 1.00 0.00 C ATOM 0 HA PRO A 61 -6.877 0.750 -9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.510 1.167 -9.779 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.243 2.170 -10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.615 -0.223 -11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.201 1.305 -12.419 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.674 -0.938 -12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.981 0.671 -12.795 1.00 0.00 H new ATOM 768 N LYS A 62 -7.588 -1.204 -7.793 1.00 0.00 N ATOM 769 CA LYS A 62 -8.122 -2.236 -6.912 1.00 0.00 C ATOM 770 C LYS A 62 -7.993 -1.824 -5.449 1.00 0.00 C ATOM 771 O LYS A 62 -7.129 -1.023 -5.093 1.00 0.00 O ATOM 772 CB LYS A 62 -7.393 -3.562 -7.144 1.00 0.00 C ATOM 773 CG LYS A 62 -7.816 -4.274 -8.419 1.00 0.00 C ATOM 774 CD LYS A 62 -7.666 -5.783 -8.294 1.00 0.00 C ATOM 775 CE LYS A 62 -6.524 -6.304 -9.150 1.00 0.00 C ATOM 776 NZ LYS A 62 -6.364 -7.779 -9.027 1.00 0.00 N ATOM 0 H LYS A 62 -6.715 -0.786 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.179 -2.363 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.320 -3.375 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.573 -4.220 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.853 -4.029 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.213 -3.916 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.489 -6.047 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.596 -6.268 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.705 -6.045 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.597 -5.813 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.575 -8.094 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.166 -8.025 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.240 -8.250 -9.332 1.00 0.00 H new ATOM 790 N VAL A 63 -8.860 -2.376 -4.606 1.00 0.00 N ATOM 791 CA VAL A 63 -8.844 -2.065 -3.181 1.00 0.00 C ATOM 792 C VAL A 63 -9.266 -3.273 -2.353 1.00 0.00 C ATOM 793 O VAL A 63 -9.950 -4.169 -2.846 1.00 0.00 O ATOM 794 CB VAL A 63 -9.775 -0.882 -2.853 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.599 -0.449 -1.406 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.515 0.280 -3.801 1.00 0.00 C ATOM 0 H VAL A 63 -9.582 -3.040 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.820 -1.792 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.807 -1.207 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.265 0.387 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.840 -1.282 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.566 -0.142 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.181 1.107 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.480 0.606 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.697 -0.040 -4.827 1.00 0.00 H new ATOM 806 N CYS A 64 -8.852 -3.292 -1.090 1.00 0.00 N ATOM 807 CA CYS A 64 -9.186 -4.392 -0.194 1.00 0.00 C ATOM 808 C CYS A 64 -10.237 -3.963 0.828 1.00 0.00 C ATOM 809 O CYS A 64 -10.043 -2.994 1.563 1.00 0.00 O ATOM 810 CB CYS A 64 -7.933 -4.892 0.528 1.00 0.00 C ATOM 811 SG CYS A 64 -6.590 -5.414 -0.587 1.00 0.00 S ATOM 0 H CYS A 64 -8.285 -2.558 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.598 -5.202 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.563 -4.101 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.206 -5.731 1.168 1.00 0.00 H new ATOM 816 N CYS A 65 -11.346 -4.692 0.867 1.00 0.00 N ATOM 817 CA CYS A 65 -12.426 -4.394 1.798 1.00 0.00 C ATOM 818 C CYS A 65 -12.680 -5.580 2.731 1.00 0.00 C ATOM 819 O CYS A 65 -13.094 -6.649 2.282 1.00 0.00 O ATOM 820 CB CYS A 65 -13.707 -4.052 1.031 1.00 0.00 C ATOM 821 SG CYS A 65 -13.982 -2.264 0.801 1.00 0.00 S ATOM 0 H CYS A 65 -11.520 -5.495 0.263 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.130 -3.535 2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.671 -4.532 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.560 -4.474 1.562 1.00 0.00 H new ATOM 826 N PRO A 66 -12.435 -5.409 4.042 1.00 0.00 N ATOM 827 CA PRO A 66 -12.642 -6.478 5.025 1.00 0.00 C ATOM 828 C PRO A 66 -14.120 -6.797 5.231 1.00 0.00 C ATOM 829 O PRO A 66 -14.992 -6.120 4.687 1.00 0.00 O ATOM 830 CB PRO A 66 -12.035 -5.906 6.309 1.00 0.00 C ATOM 831 CG PRO A 66 -12.114 -4.429 6.140 1.00 0.00 C ATOM 832 CD PRO A 66 -11.938 -4.170 4.671 1.00 0.00 C ATOM 0 HA PRO A 66 -12.189 -7.417 4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.589 -6.234 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.004 -6.235 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.072 -4.047 6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.339 -3.928 6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.506 -3.299 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.894 -3.982 4.419 1.00 0.00 H new TER 840 PRO A 66