USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 1 VAL N :NH3+ -156:sc= -0.0964 (180deg=-0.784) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.2!) USER MOD Single : A 7 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.5!) USER MOD Single : A 9 SER OG : rot 15:sc= 0.477! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0908 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -2.34 (180deg=-2.63) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= -0.0793 (180deg=-1.08) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.41! C(o=-2.4!,f=-4!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.16! C(o=-5.2!,f=-7.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6.4!) USER MOD Single : A 52 ASN : amide:sc= -2.47 K(o=-2.5,f=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0.5 (180deg=0.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.126 X(o=-0.13,f=0.2) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 82 THR OG1 : rot -140:sc= -1.71! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.465 -13.042 0.232 1.00 0.00 N ATOM 2 CA VAL A 1 -0.703 -11.922 0.857 1.00 0.00 C ATOM 3 C VAL A 1 -1.518 -11.298 1.993 1.00 0.00 C ATOM 4 O VAL A 1 -1.858 -10.132 1.958 1.00 0.00 O ATOM 5 CB VAL A 1 -0.492 -10.909 -0.269 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.098 -9.621 0.309 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.469 -11.491 -1.306 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.802 -13.700 -0.225 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.004 -13.547 0.965 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.121 -12.661 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 1 0.241 -12.255 1.288 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.448 -10.689 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.249 -8.898 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.588 -9.206 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.054 -9.840 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.619 -10.769 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.426 -11.711 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.048 -12.408 -1.718 1.00 0.00 H new ATOM 19 N THR A 2 -1.838 -12.066 2.999 1.00 0.00 N ATOM 20 CA THR A 2 -2.634 -11.516 4.134 1.00 0.00 C ATOM 21 C THR A 2 -1.855 -11.655 5.444 1.00 0.00 C ATOM 22 O THR A 2 -1.045 -12.547 5.603 1.00 0.00 O ATOM 23 CB THR A 2 -3.904 -12.366 4.174 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.542 -12.323 2.906 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.853 -11.823 5.243 1.00 0.00 C ATOM 0 H THR A 2 -1.583 -13.050 3.084 1.00 0.00 H new ATOM 0 HA THR A 2 -2.855 -10.456 4.008 1.00 0.00 H new ATOM 0 HB THR A 2 -3.642 -13.396 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.355 -12.869 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.757 -12.431 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.363 -11.859 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.116 -10.792 5.007 1.00 0.00 H new ATOM 33 N VAL A 3 -2.095 -10.783 6.387 1.00 0.00 N ATOM 34 CA VAL A 3 -1.367 -10.876 7.684 1.00 0.00 C ATOM 35 C VAL A 3 -2.027 -11.929 8.578 1.00 0.00 C ATOM 36 O VAL A 3 -3.150 -11.770 9.013 1.00 0.00 O ATOM 37 CB VAL A 3 -1.490 -9.484 8.307 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.968 -9.517 9.745 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.666 -8.489 7.489 1.00 0.00 C ATOM 0 H VAL A 3 -2.761 -10.014 6.315 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.326 -11.172 7.558 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.536 -9.178 8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.056 -8.525 10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.554 -10.228 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.078 -9.822 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.752 -7.496 7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.380 -8.797 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.038 -8.464 6.465 1.00 0.00 H new ATOM 49 N GLN A 4 -1.343 -13.005 8.849 1.00 0.00 N ATOM 50 CA GLN A 4 -1.940 -14.067 9.708 1.00 0.00 C ATOM 51 C GLN A 4 -1.211 -14.143 11.051 1.00 0.00 C ATOM 52 O GLN A 4 0.002 -14.179 11.111 1.00 0.00 O ATOM 53 CB GLN A 4 -1.747 -15.365 8.924 1.00 0.00 C ATOM 54 CG GLN A 4 -2.391 -16.523 9.687 1.00 0.00 C ATOM 55 CD GLN A 4 -1.945 -17.851 9.074 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.790 -18.219 9.165 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.816 -18.593 8.447 1.00 0.00 N ATOM 0 H GLN A 4 -0.399 -13.196 8.514 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.989 -13.872 9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.194 -15.274 7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.684 -15.559 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.106 -16.482 10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.477 -16.439 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.786 -18.286 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.527 -19.480 8.034 1.00 0.00 H new ATOM 66 N ASP A 5 -1.945 -14.177 12.129 1.00 0.00 N ATOM 67 CA ASP A 5 -1.298 -14.263 13.468 1.00 0.00 C ATOM 68 C ASP A 5 -1.202 -15.727 13.899 1.00 0.00 C ATOM 69 O ASP A 5 -0.160 -16.345 13.810 1.00 0.00 O ATOM 70 CB ASP A 5 -2.217 -13.481 14.408 1.00 0.00 C ATOM 71 CG ASP A 5 -1.602 -13.441 15.808 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.495 -13.931 15.961 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.248 -12.922 16.703 1.00 0.00 O ATOM 0 H ASP A 5 -2.965 -14.149 12.140 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.286 -13.859 13.471 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.360 -12.468 14.033 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.201 -13.949 14.445 1.00 0.00 H new ATOM 78 N GLY A 6 -2.285 -16.286 14.357 1.00 0.00 N ATOM 79 CA GLY A 6 -2.263 -17.712 14.787 1.00 0.00 C ATOM 80 C GLY A 6 -2.769 -18.593 13.642 1.00 0.00 C ATOM 81 O GLY A 6 -2.298 -18.504 12.525 1.00 0.00 O ATOM 0 H GLY A 6 -3.186 -15.818 14.453 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.251 -18.004 15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.888 -17.848 15.669 1.00 0.00 H new ATOM 85 N ASN A 7 -3.720 -19.443 13.910 1.00 0.00 N ATOM 86 CA ASN A 7 -4.251 -20.332 12.839 1.00 0.00 C ATOM 87 C ASN A 7 -5.259 -19.580 11.964 1.00 0.00 C ATOM 88 O ASN A 7 -5.947 -20.168 11.153 1.00 0.00 O ATOM 89 CB ASN A 7 -4.939 -21.474 13.587 1.00 0.00 C ATOM 90 CG ASN A 7 -3.917 -22.197 14.467 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.726 -22.076 14.260 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.335 -22.949 15.449 1.00 0.00 N ATOM 0 H ASN A 7 -4.153 -19.561 14.826 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.465 -20.688 12.173 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.751 -21.084 14.200 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.382 -22.173 12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.662 -23.434 16.042 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.335 -23.051 15.623 1.00 0.00 H new ATOM 99 N PHE A 8 -5.356 -18.287 12.120 1.00 0.00 N ATOM 100 CA PHE A 8 -6.323 -17.508 11.293 1.00 0.00 C ATOM 101 C PHE A 8 -5.605 -16.382 10.543 1.00 0.00 C ATOM 102 O PHE A 8 -4.754 -15.706 11.086 1.00 0.00 O ATOM 103 CB PHE A 8 -7.322 -16.932 12.296 1.00 0.00 C ATOM 104 CG PHE A 8 -8.038 -18.063 12.994 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.208 -18.597 12.441 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.532 -18.578 14.192 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.870 -19.648 13.086 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.195 -19.629 14.838 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.364 -20.164 14.285 1.00 0.00 C ATOM 0 H PHE A 8 -4.809 -17.737 12.783 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.808 -18.126 10.538 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.804 -16.309 13.025 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.041 -16.292 11.784 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.600 -18.198 11.517 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.630 -18.165 14.619 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.772 -20.061 12.659 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.804 -20.027 15.763 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.875 -20.974 14.783 1.00 0.00 H new ATOM 119 N SER A 9 -5.942 -16.178 9.298 1.00 0.00 N ATOM 120 CA SER A 9 -5.282 -15.096 8.510 1.00 0.00 C ATOM 121 C SER A 9 -6.054 -13.783 8.665 1.00 0.00 C ATOM 122 O SER A 9 -7.265 -13.747 8.563 1.00 0.00 O ATOM 123 CB SER A 9 -5.331 -15.580 7.060 1.00 0.00 C ATOM 124 OG SER A 9 -6.672 -15.546 6.595 1.00 0.00 O ATOM 0 H SER A 9 -6.647 -16.714 8.792 1.00 0.00 H new ATOM 0 HA SER A 9 -4.262 -14.904 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.701 -14.949 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.936 -16.594 6.990 1.00 0.00 H new ATOM 0 HG SER A 9 -7.216 -15.007 7.206 1.00 0.00 H new ATOM 130 N PHE A 10 -5.364 -12.704 8.918 1.00 0.00 N ATOM 131 CA PHE A 10 -6.057 -11.395 9.088 1.00 0.00 C ATOM 132 C PHE A 10 -5.647 -10.420 7.978 1.00 0.00 C ATOM 133 O PHE A 10 -4.480 -10.131 7.791 1.00 0.00 O ATOM 134 CB PHE A 10 -5.591 -10.881 10.451 1.00 0.00 C ATOM 135 CG PHE A 10 -5.989 -11.867 11.524 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.308 -11.895 11.991 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.042 -12.751 12.051 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.681 -12.807 12.985 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.414 -13.664 13.047 1.00 0.00 C ATOM 140 CZ PHE A 10 -6.732 -13.692 13.513 1.00 0.00 C ATOM 0 H PHE A 10 -4.349 -12.673 9.014 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.141 -11.493 9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.509 -10.745 10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.034 -9.906 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.039 -11.212 11.584 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.024 -12.730 11.690 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.699 -12.828 13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.683 -14.346 13.455 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.019 -14.396 14.280 1.00 0.00 H new ATOM 150 N SER A 11 -6.598 -9.911 7.239 1.00 0.00 N ATOM 151 CA SER A 11 -6.263 -8.956 6.141 1.00 0.00 C ATOM 152 C SER A 11 -5.850 -7.600 6.725 1.00 0.00 C ATOM 153 O SER A 11 -5.958 -7.367 7.913 1.00 0.00 O ATOM 154 CB SER A 11 -7.552 -8.821 5.330 1.00 0.00 C ATOM 155 OG SER A 11 -7.919 -10.091 4.810 1.00 0.00 O ATOM 0 H SER A 11 -7.591 -10.115 7.348 1.00 0.00 H new ATOM 0 HA SER A 11 -5.430 -9.304 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.351 -8.429 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.410 -8.110 4.516 1.00 0.00 H new ATOM 0 HG SER A 11 -8.746 -10.006 4.291 1.00 0.00 H new ATOM 161 N LEU A 12 -5.366 -6.707 5.902 1.00 0.00 N ATOM 162 CA LEU A 12 -4.935 -5.374 6.418 1.00 0.00 C ATOM 163 C LEU A 12 -5.970 -4.294 6.083 1.00 0.00 C ATOM 164 O LEU A 12 -5.777 -3.130 6.377 1.00 0.00 O ATOM 165 CB LEU A 12 -3.615 -5.081 5.701 1.00 0.00 C ATOM 166 CG LEU A 12 -2.599 -6.182 6.016 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.942 -7.442 5.218 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.196 -5.707 5.632 1.00 0.00 C ATOM 0 H LEU A 12 -5.251 -6.842 4.898 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.828 -5.377 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.780 -5.023 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.226 -4.113 6.017 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.631 -6.407 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.217 -8.224 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.941 -7.784 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.912 -7.217 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.472 -6.491 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.167 -5.481 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.947 -4.810 6.200 1.00 0.00 H new ATOM 180 N GLU A 13 -7.061 -4.658 5.465 1.00 0.00 N ATOM 181 CA GLU A 13 -8.091 -3.637 5.112 1.00 0.00 C ATOM 182 C GLU A 13 -8.824 -3.146 6.365 1.00 0.00 C ATOM 183 O GLU A 13 -8.572 -2.066 6.862 1.00 0.00 O ATOM 184 CB GLU A 13 -9.065 -4.360 4.179 1.00 0.00 C ATOM 185 CG GLU A 13 -8.316 -4.859 2.943 1.00 0.00 C ATOM 186 CD GLU A 13 -9.293 -5.584 2.015 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.410 -5.826 2.438 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.906 -5.884 0.898 1.00 0.00 O ATOM 0 H GLU A 13 -7.284 -5.615 5.190 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.645 -2.759 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.528 -5.198 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.868 -3.686 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.855 -4.021 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.511 -5.532 3.239 1.00 0.00 H new ATOM 195 N SER A 14 -9.737 -3.928 6.872 1.00 0.00 N ATOM 196 CA SER A 14 -10.498 -3.509 8.086 1.00 0.00 C ATOM 197 C SER A 14 -9.575 -2.834 9.102 1.00 0.00 C ATOM 198 O SER A 14 -9.881 -1.782 9.629 1.00 0.00 O ATOM 199 CB SER A 14 -11.059 -4.804 8.665 1.00 0.00 C ATOM 200 OG SER A 14 -11.608 -5.594 7.620 1.00 0.00 O ATOM 0 H SER A 14 -9.990 -4.842 6.498 1.00 0.00 H new ATOM 0 HA SER A 14 -11.279 -2.788 7.844 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.271 -5.357 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.826 -4.581 9.407 1.00 0.00 H new ATOM 0 HG SER A 14 -11.966 -6.426 7.993 1.00 0.00 H new ATOM 206 N VAL A 15 -8.448 -3.425 9.384 1.00 0.00 N ATOM 207 CA VAL A 15 -7.516 -2.806 10.368 1.00 0.00 C ATOM 208 C VAL A 15 -7.022 -1.458 9.840 1.00 0.00 C ATOM 209 O VAL A 15 -7.091 -0.455 10.521 1.00 0.00 O ATOM 210 CB VAL A 15 -6.365 -3.799 10.515 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.872 -5.031 11.268 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.850 -4.212 9.134 1.00 0.00 C ATOM 0 H VAL A 15 -8.132 -4.306 8.978 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.993 -2.611 11.329 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.548 -3.335 11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.059 -5.749 11.380 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.231 -4.733 12.253 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.687 -5.490 10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.029 -4.920 9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.657 -4.680 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.497 -3.331 8.599 1.00 0.00 H new ATOM 222 N LYS A 16 -6.542 -1.417 8.627 1.00 0.00 N ATOM 223 CA LYS A 16 -6.070 -0.118 8.069 1.00 0.00 C ATOM 224 C LYS A 16 -7.185 0.920 8.207 1.00 0.00 C ATOM 225 O LYS A 16 -6.994 1.985 8.760 1.00 0.00 O ATOM 226 CB LYS A 16 -5.774 -0.399 6.594 1.00 0.00 C ATOM 227 CG LYS A 16 -5.350 0.898 5.902 1.00 0.00 C ATOM 228 CD LYS A 16 -5.274 0.670 4.390 1.00 0.00 C ATOM 229 CE LYS A 16 -4.773 1.942 3.705 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.002 2.742 3.438 1.00 0.00 N ATOM 0 H LYS A 16 -6.457 -2.219 8.003 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.191 0.270 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.984 -1.145 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.658 -0.811 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.063 1.692 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.381 1.224 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.604 -0.161 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.256 0.399 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.078 2.487 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.243 1.711 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.766 3.546 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.711 2.143 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.388 3.096 4.337 1.00 0.00 H new ATOM 244 N LYS A 17 -8.356 0.607 7.720 1.00 0.00 N ATOM 245 CA LYS A 17 -9.496 1.559 7.831 1.00 0.00 C ATOM 246 C LYS A 17 -10.111 1.473 9.229 1.00 0.00 C ATOM 247 O LYS A 17 -11.113 2.097 9.517 1.00 0.00 O ATOM 248 CB LYS A 17 -10.505 1.093 6.782 1.00 0.00 C ATOM 249 CG LYS A 17 -9.888 1.205 5.387 1.00 0.00 C ATOM 250 CD LYS A 17 -10.932 0.809 4.340 1.00 0.00 C ATOM 251 CE LYS A 17 -10.284 0.793 2.954 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.834 2.196 2.723 1.00 0.00 N ATOM 0 H LYS A 17 -8.572 -0.271 7.248 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.189 2.593 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.798 0.062 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.410 1.698 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.546 2.224 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.015 0.557 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.342 -0.174 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.764 1.513 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.445 0.098 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.994 0.475 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.033 2.467 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.343 2.834 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.812 2.267 2.901 1.00 0.00 H new ATOM 266 N LEU A 18 -9.519 0.701 10.101 1.00 0.00 N ATOM 267 CA LEU A 18 -10.067 0.571 11.480 1.00 0.00 C ATOM 268 C LEU A 18 -10.186 1.951 12.135 1.00 0.00 C ATOM 269 O LEU A 18 -11.116 2.219 12.870 1.00 0.00 O ATOM 270 CB LEU A 18 -9.045 -0.300 12.214 1.00 0.00 C ATOM 271 CG LEU A 18 -9.561 -0.655 13.610 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.049 -1.003 13.537 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.784 -1.860 14.145 1.00 0.00 C ATOM 0 H LEU A 18 -8.678 0.154 9.916 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.066 0.134 11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.857 -1.211 11.645 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.095 0.229 12.293 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.422 0.198 14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.413 -1.255 14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.604 -0.147 13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.191 -1.855 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.149 -2.116 15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.925 -2.710 13.477 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.724 -1.614 14.200 1.00 0.00 H new ATOM 285 N LYS A 19 -9.258 2.831 11.868 1.00 0.00 N ATOM 286 CA LYS A 19 -9.335 4.192 12.474 1.00 0.00 C ATOM 287 C LYS A 19 -10.704 4.808 12.178 1.00 0.00 C ATOM 288 O LYS A 19 -11.322 5.415 13.030 1.00 0.00 O ATOM 289 CB LYS A 19 -8.224 4.998 11.797 1.00 0.00 C ATOM 290 CG LYS A 19 -8.173 6.402 12.405 1.00 0.00 C ATOM 291 CD LYS A 19 -7.558 6.333 13.804 1.00 0.00 C ATOM 292 CE LYS A 19 -7.473 7.743 14.392 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.087 7.850 14.931 1.00 0.00 N ATOM 0 H LYS A 19 -8.455 2.668 11.261 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.213 4.174 13.557 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.265 4.498 11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.407 5.060 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.584 7.063 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.177 6.823 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.163 5.694 14.448 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.565 5.887 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.661 8.501 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.215 7.889 15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.950 8.791 15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.940 7.121 15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.403 7.713 14.160 1.00 0.00 H new ATOM 307 N ASP A 20 -11.185 4.643 10.977 1.00 0.00 N ATOM 308 CA ASP A 20 -12.519 5.203 10.622 1.00 0.00 C ATOM 309 C ASP A 20 -13.515 4.062 10.396 1.00 0.00 C ATOM 310 O ASP A 20 -13.218 3.094 9.725 1.00 0.00 O ATOM 311 CB ASP A 20 -12.293 5.984 9.326 1.00 0.00 C ATOM 312 CG ASP A 20 -11.862 5.021 8.218 1.00 0.00 C ATOM 313 OD1 ASP A 20 -10.727 4.573 8.259 1.00 0.00 O ATOM 314 OD2 ASP A 20 -12.672 4.747 7.348 1.00 0.00 O ATOM 0 H ASP A 20 -10.711 4.143 10.225 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.927 5.838 11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.208 6.502 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.529 6.747 9.477 1.00 0.00 H new ATOM 319 N LEU A 21 -14.689 4.161 10.953 1.00 0.00 N ATOM 320 CA LEU A 21 -15.690 3.072 10.771 1.00 0.00 C ATOM 321 C LEU A 21 -16.380 3.202 9.409 1.00 0.00 C ATOM 322 O LEU A 21 -17.108 4.141 9.156 1.00 0.00 O ATOM 323 CB LEU A 21 -16.698 3.263 11.904 1.00 0.00 C ATOM 324 CG LEU A 21 -17.392 1.932 12.195 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.993 1.378 10.903 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.372 0.935 12.750 1.00 0.00 C ATOM 0 H LEU A 21 -14.999 4.946 11.525 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.230 2.084 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.192 3.625 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.435 4.017 11.627 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.184 2.088 12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.488 0.429 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.719 2.087 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.201 1.222 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.867 -0.014 12.958 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.580 0.779 12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.942 1.329 13.671 1.00 0.00 H new ATOM 338 N GLN A 22 -16.158 2.261 8.533 1.00 0.00 N ATOM 339 CA GLN A 22 -16.800 2.320 7.188 1.00 0.00 C ATOM 340 C GLN A 22 -17.003 0.903 6.644 1.00 0.00 C ATOM 341 O GLN A 22 -16.528 -0.061 7.211 1.00 0.00 O ATOM 342 CB GLN A 22 -15.819 3.099 6.312 1.00 0.00 C ATOM 343 CG GLN A 22 -15.738 4.547 6.800 1.00 0.00 C ATOM 344 CD GLN A 22 -14.788 5.336 5.897 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.022 4.760 5.150 1.00 0.00 O ATOM 346 NE2 GLN A 22 -14.805 6.641 5.933 1.00 0.00 N ATOM 0 H GLN A 22 -15.558 1.451 8.691 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.781 2.795 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.833 2.635 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.143 3.072 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.729 5.002 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.385 4.576 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.448 7.126 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.176 7.176 5.334 1.00 0.00 H new ATOM 355 N GLU A 23 -17.705 0.767 5.554 1.00 0.00 N ATOM 356 CA GLU A 23 -17.935 -0.593 4.982 1.00 0.00 C ATOM 357 C GLU A 23 -17.517 -0.628 3.508 1.00 0.00 C ATOM 358 O GLU A 23 -18.351 -0.731 2.630 1.00 0.00 O ATOM 359 CB GLU A 23 -19.438 -0.834 5.120 1.00 0.00 C ATOM 360 CG GLU A 23 -19.791 -1.020 6.597 1.00 0.00 C ATOM 361 CD GLU A 23 -21.137 -1.738 6.712 1.00 0.00 C ATOM 362 OE1 GLU A 23 -21.302 -2.753 6.057 1.00 0.00 O ATOM 363 OE2 GLU A 23 -21.980 -1.261 7.453 1.00 0.00 O ATOM 0 H GLU A 23 -18.129 1.535 5.034 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.352 -1.358 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.992 0.009 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.729 -1.717 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.014 -1.598 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.839 -0.052 7.095 1.00 0.00 H new ATOM 370 N PRO A 24 -16.231 -0.540 3.286 1.00 0.00 N ATOM 371 CA PRO A 24 -15.685 -0.562 1.909 1.00 0.00 C ATOM 372 C PRO A 24 -16.015 -1.890 1.219 1.00 0.00 C ATOM 373 O PRO A 24 -15.880 -2.951 1.796 1.00 0.00 O ATOM 374 CB PRO A 24 -14.178 -0.426 2.143 1.00 0.00 C ATOM 375 CG PRO A 24 -13.919 -0.333 3.661 1.00 0.00 C ATOM 376 CD PRO A 24 -15.261 -0.414 4.398 1.00 0.00 C ATOM 0 HA PRO A 24 -16.093 0.216 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.652 -1.282 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.796 0.462 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.263 -1.142 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.413 0.602 3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.303 -1.270 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.447 0.475 5.000 1.00 0.00 H new ATOM 384 N GLN A 25 -16.444 -1.840 -0.013 1.00 0.00 N ATOM 385 CA GLN A 25 -16.778 -3.101 -0.736 1.00 0.00 C ATOM 386 C GLN A 25 -15.520 -3.954 -0.912 1.00 0.00 C ATOM 387 O GLN A 25 -15.574 -5.168 -0.905 1.00 0.00 O ATOM 388 CB GLN A 25 -17.315 -2.651 -2.096 1.00 0.00 C ATOM 389 CG GLN A 25 -18.596 -1.839 -1.895 1.00 0.00 C ATOM 390 CD GLN A 25 -19.077 -1.307 -3.247 1.00 0.00 C ATOM 391 OE1 GLN A 25 -18.330 -1.282 -4.204 1.00 0.00 O ATOM 392 NE2 GLN A 25 -20.304 -0.878 -3.365 1.00 0.00 N ATOM 0 H GLN A 25 -16.578 -0.983 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.503 -3.708 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.568 -2.049 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.516 -3.518 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.367 -2.462 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.411 -1.011 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.931 -0.899 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.636 -0.522 -4.261 1.00 0.00 H new ATOM 401 N GLU A 26 -14.390 -3.325 -1.067 1.00 0.00 N ATOM 402 CA GLU A 26 -13.123 -4.091 -1.244 1.00 0.00 C ATOM 403 C GLU A 26 -13.348 -5.298 -2.161 1.00 0.00 C ATOM 404 O GLU A 26 -13.055 -6.418 -1.789 1.00 0.00 O ATOM 405 CB GLU A 26 -12.741 -4.552 0.163 1.00 0.00 C ATOM 406 CG GLU A 26 -11.903 -3.469 0.846 1.00 0.00 C ATOM 407 CD GLU A 26 -10.685 -3.146 -0.022 1.00 0.00 C ATOM 408 OE1 GLU A 26 -9.681 -3.823 0.126 1.00 0.00 O ATOM 409 OE2 GLU A 26 -10.778 -2.228 -0.820 1.00 0.00 O ATOM 0 H GLU A 26 -14.287 -2.310 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.341 -3.488 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.639 -4.754 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.178 -5.484 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.503 -2.572 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.582 -3.809 1.831 1.00 0.00 H new ATOM 416 N PRO A 27 -13.859 -5.032 -3.335 1.00 0.00 N ATOM 417 CA PRO A 27 -14.121 -6.110 -4.317 1.00 0.00 C ATOM 418 C PRO A 27 -12.818 -6.815 -4.695 1.00 0.00 C ATOM 419 O PRO A 27 -12.741 -8.027 -4.737 1.00 0.00 O ATOM 420 CB PRO A 27 -14.698 -5.345 -5.511 1.00 0.00 C ATOM 421 CG PRO A 27 -14.739 -3.844 -5.164 1.00 0.00 C ATOM 422 CD PRO A 27 -14.200 -3.649 -3.741 1.00 0.00 C ATOM 0 HA PRO A 27 -14.785 -6.890 -3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.086 -5.511 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -15.700 -5.707 -5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.140 -3.276 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.760 -3.468 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.329 -2.994 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.946 -3.205 -3.082 1.00 0.00 H new ATOM 430 N ARG A 28 -11.793 -6.059 -4.966 1.00 0.00 N ATOM 431 CA ARG A 28 -10.486 -6.672 -5.341 1.00 0.00 C ATOM 432 C ARG A 28 -9.342 -5.943 -4.632 1.00 0.00 C ATOM 433 O ARG A 28 -9.493 -4.828 -4.173 1.00 0.00 O ATOM 434 CB ARG A 28 -10.382 -6.488 -6.855 1.00 0.00 C ATOM 435 CG ARG A 28 -11.467 -7.317 -7.545 1.00 0.00 C ATOM 436 CD ARG A 28 -11.318 -7.190 -9.063 1.00 0.00 C ATOM 437 NE ARG A 28 -10.044 -7.892 -9.381 1.00 0.00 N ATOM 438 CZ ARG A 28 -9.652 -8.006 -10.620 1.00 0.00 C ATOM 439 NH1 ARG A 28 -10.502 -8.369 -11.542 1.00 0.00 N ATOM 440 NH2 ARG A 28 -8.411 -7.758 -10.938 1.00 0.00 N ATOM 0 H ARG A 28 -11.802 -5.039 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.423 -7.722 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.495 -5.435 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.396 -6.797 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.386 -8.362 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.454 -6.973 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.161 -7.646 -9.583 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.281 -6.145 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.477 -8.284 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.472 -8.563 -11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.196 -8.458 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.747 -7.475 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.105 -7.847 -11.907 1.00 0.00 H new ATOM 454 N VAL A 29 -8.197 -6.563 -4.537 1.00 0.00 N ATOM 455 CA VAL A 29 -7.046 -5.902 -3.856 1.00 0.00 C ATOM 456 C VAL A 29 -6.727 -4.566 -4.534 1.00 0.00 C ATOM 457 O VAL A 29 -6.630 -4.480 -5.741 1.00 0.00 O ATOM 458 CB VAL A 29 -5.879 -6.876 -4.014 1.00 0.00 C ATOM 459 CG1 VAL A 29 -6.298 -8.260 -3.516 1.00 0.00 C ATOM 460 CG2 VAL A 29 -5.481 -6.963 -5.488 1.00 0.00 C ATOM 0 H VAL A 29 -8.009 -7.497 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.255 -5.684 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.030 -6.522 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.466 -8.955 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.580 -8.199 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.148 -8.615 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.649 -7.658 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.330 -7.316 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.181 -5.977 -5.843 1.00 0.00 H new ATOM 470 N GLY A 30 -6.562 -3.525 -3.765 1.00 0.00 N ATOM 471 CA GLY A 30 -6.250 -2.198 -4.364 1.00 0.00 C ATOM 472 C GLY A 30 -4.750 -2.109 -4.651 1.00 0.00 C ATOM 473 O GLY A 30 -3.987 -2.988 -4.301 1.00 0.00 O ATOM 0 H GLY A 30 -6.630 -3.537 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.816 -2.060 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.549 -1.400 -3.684 1.00 0.00 H new ATOM 477 N LYS A 31 -4.320 -1.054 -5.286 1.00 0.00 N ATOM 478 CA LYS A 31 -2.868 -0.910 -5.594 1.00 0.00 C ATOM 479 C LYS A 31 -2.048 -0.918 -4.302 1.00 0.00 C ATOM 480 O LYS A 31 -1.042 -1.591 -4.198 1.00 0.00 O ATOM 481 CB LYS A 31 -2.744 0.440 -6.301 1.00 0.00 C ATOM 482 CG LYS A 31 -3.528 0.400 -7.614 1.00 0.00 C ATOM 483 CD LYS A 31 -3.305 1.705 -8.383 1.00 0.00 C ATOM 484 CE LYS A 31 -4.190 1.720 -9.629 1.00 0.00 C ATOM 485 NZ LYS A 31 -5.077 2.905 -9.453 1.00 0.00 N ATOM 0 H LYS A 31 -4.910 -0.286 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.495 -1.728 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.126 1.235 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.696 0.665 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.205 -0.449 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.590 0.262 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.539 2.559 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.257 1.797 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.593 1.804 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.770 0.801 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.716 2.984 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.637 2.793 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.497 3.765 -9.382 1.00 0.00 H new ATOM 499 N LEU A 32 -2.469 -0.175 -3.314 1.00 0.00 N ATOM 500 CA LEU A 32 -1.710 -0.142 -2.031 1.00 0.00 C ATOM 501 C LEU A 32 -2.672 -0.005 -0.847 1.00 0.00 C ATOM 502 O LEU A 32 -3.643 0.721 -0.903 1.00 0.00 O ATOM 503 CB LEU A 32 -0.812 1.092 -2.131 1.00 0.00 C ATOM 504 CG LEU A 32 0.017 1.025 -3.416 1.00 0.00 C ATOM 505 CD1 LEU A 32 0.823 2.317 -3.570 1.00 0.00 C ATOM 506 CD2 LEU A 32 0.974 -0.167 -3.346 1.00 0.00 C ATOM 0 H LEU A 32 -3.304 0.410 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.136 -1.055 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.420 1.997 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.153 1.145 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.648 0.906 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.414 2.270 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.142 3.167 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.488 2.435 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.564 -0.214 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.640 -0.049 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.401 -1.088 -3.236 1.00 0.00 H new ATOM 518 N ARG A 33 -2.406 -0.697 0.228 1.00 0.00 N ATOM 519 CA ARG A 33 -3.300 -0.603 1.417 1.00 0.00 C ATOM 520 C ARG A 33 -2.573 0.109 2.561 1.00 0.00 C ATOM 521 O ARG A 33 -2.466 -0.403 3.657 1.00 0.00 O ATOM 522 CB ARG A 33 -3.613 -2.052 1.796 1.00 0.00 C ATOM 523 CG ARG A 33 -4.370 -2.725 0.650 1.00 0.00 C ATOM 524 CD ARG A 33 -4.785 -4.135 1.074 1.00 0.00 C ATOM 525 NE ARG A 33 -3.507 -4.831 1.392 1.00 0.00 N ATOM 526 CZ ARG A 33 -2.992 -5.670 0.537 1.00 0.00 C ATOM 527 NH1 ARG A 33 -1.960 -5.318 -0.182 1.00 0.00 N ATOM 528 NH2 ARG A 33 -3.506 -6.862 0.400 1.00 0.00 N ATOM 0 H ARG A 33 -1.608 -1.323 0.334 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.207 -0.035 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.690 -2.593 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.211 -2.080 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.250 -2.139 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.741 -2.771 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.447 -4.109 1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.325 -4.645 0.276 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.035 -4.651 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.557 -4.387 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.557 -5.974 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.311 -7.138 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.102 -7.518 -0.269 1.00 0.00 H new ATOM 542 N ASN A 34 -2.070 1.287 2.309 1.00 0.00 N ATOM 543 CA ASN A 34 -1.345 2.034 3.377 1.00 0.00 C ATOM 544 C ASN A 34 -2.054 3.358 3.677 1.00 0.00 C ATOM 545 O ASN A 34 -2.381 4.113 2.782 1.00 0.00 O ATOM 546 CB ASN A 34 0.047 2.290 2.800 1.00 0.00 C ATOM 547 CG ASN A 34 0.688 0.955 2.417 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.511 -0.034 3.100 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.429 0.886 1.345 1.00 0.00 N ATOM 0 H ASN A 34 -2.130 1.765 1.410 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.305 1.479 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.022 2.937 1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.667 2.808 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.861 0.001 1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.577 1.717 0.773 1.00 0.00 H new ATOM 556 N PHE A 35 -2.293 3.645 4.927 1.00 0.00 N ATOM 557 CA PHE A 35 -2.981 4.920 5.281 1.00 0.00 C ATOM 558 C PHE A 35 -3.105 5.053 6.802 1.00 0.00 C ATOM 559 O PHE A 35 -3.081 6.140 7.344 1.00 0.00 O ATOM 560 CB PHE A 35 -4.364 4.815 4.639 1.00 0.00 C ATOM 561 CG PHE A 35 -5.068 6.146 4.739 1.00 0.00 C ATOM 562 CD1 PHE A 35 -4.801 7.152 3.803 1.00 0.00 C ATOM 563 CD2 PHE A 35 -5.989 6.375 5.769 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.455 8.387 3.897 1.00 0.00 C ATOM 565 CE2 PHE A 35 -6.642 7.610 5.863 1.00 0.00 C ATOM 566 CZ PHE A 35 -6.375 8.615 4.927 1.00 0.00 C ATOM 0 H PHE A 35 -2.042 3.053 5.719 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.433 5.794 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.270 4.519 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.950 4.043 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.091 6.976 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.196 5.599 6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.249 9.163 3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.352 7.787 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.879 9.567 4.999 1.00 0.00 H new ATOM 576 N ALA A 36 -3.239 3.954 7.491 1.00 0.00 N ATOM 577 CA ALA A 36 -3.369 4.011 8.976 1.00 0.00 C ATOM 578 C ALA A 36 -2.182 4.767 9.588 1.00 0.00 C ATOM 579 O ALA A 36 -1.072 4.274 9.589 1.00 0.00 O ATOM 580 CB ALA A 36 -3.361 2.551 9.427 1.00 0.00 C ATOM 0 H ALA A 36 -3.264 3.017 7.090 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.272 4.534 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.453 2.505 10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.198 2.024 8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.426 2.081 9.122 1.00 0.00 H new ATOM 586 N PRO A 37 -2.456 5.944 10.092 1.00 0.00 N ATOM 587 CA PRO A 37 -1.400 6.776 10.715 1.00 0.00 C ATOM 588 C PRO A 37 -0.822 6.077 11.950 1.00 0.00 C ATOM 589 O PRO A 37 -1.194 6.371 13.067 1.00 0.00 O ATOM 590 CB PRO A 37 -2.162 8.044 11.111 1.00 0.00 C ATOM 591 CG PRO A 37 -3.638 7.885 10.700 1.00 0.00 C ATOM 592 CD PRO A 37 -3.828 6.502 10.063 1.00 0.00 C ATOM 0 HA PRO A 37 -0.551 6.969 10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.085 8.210 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.726 8.915 10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.286 7.992 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.920 8.667 9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.528 5.887 10.629 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.216 6.573 9.047 1.00 0.00 H new ATOM 600 N ILE A 38 0.084 5.156 11.752 1.00 0.00 N ATOM 601 CA ILE A 38 0.697 4.429 12.907 1.00 0.00 C ATOM 602 C ILE A 38 -0.391 3.934 13.871 1.00 0.00 C ATOM 603 O ILE A 38 -1.546 4.288 13.741 1.00 0.00 O ATOM 604 CB ILE A 38 1.628 5.448 13.584 1.00 0.00 C ATOM 605 CG1 ILE A 38 0.843 6.313 14.587 1.00 0.00 C ATOM 606 CG2 ILE A 38 2.273 6.337 12.516 1.00 0.00 C ATOM 607 CD1 ILE A 38 0.704 7.744 14.056 1.00 0.00 C ATOM 0 H ILE A 38 0.429 4.873 10.835 1.00 0.00 H new ATOM 0 HA ILE A 38 1.247 3.543 12.589 1.00 0.00 H new ATOM 0 HB ILE A 38 2.405 4.911 14.128 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.144 5.882 14.755 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.355 6.322 15.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.933 7.060 12.995 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.850 5.719 11.828 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.495 6.865 11.964 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.147 8.346 14.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.694 8.176 13.911 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.172 7.729 13.105 1.00 0.00 H new ATOM 619 N PRO A 39 0.016 3.119 14.811 1.00 0.00 N ATOM 620 CA PRO A 39 -0.932 2.562 15.805 1.00 0.00 C ATOM 621 C PRO A 39 -1.534 3.679 16.662 1.00 0.00 C ATOM 622 O PRO A 39 -0.870 4.634 17.013 1.00 0.00 O ATOM 623 CB PRO A 39 -0.036 1.650 16.649 1.00 0.00 C ATOM 624 CG PRO A 39 1.402 1.725 16.101 1.00 0.00 C ATOM 625 CD PRO A 39 1.436 2.711 14.926 1.00 0.00 C ATOM 0 HA PRO A 39 -1.779 2.042 15.357 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.059 1.960 17.694 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.401 0.624 16.613 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.087 2.049 16.884 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.733 0.739 15.775 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.088 3.561 15.128 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.799 2.241 14.012 1.00 0.00 H new ATOM 633 N GLY A 40 -2.787 3.563 17.006 1.00 0.00 N ATOM 634 CA GLY A 40 -3.429 4.613 17.845 1.00 0.00 C ATOM 635 C GLY A 40 -3.402 4.174 19.309 1.00 0.00 C ATOM 636 O GLY A 40 -2.604 4.644 20.095 1.00 0.00 O ATOM 0 H GLY A 40 -3.394 2.787 16.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.904 5.561 17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.457 4.776 17.521 1.00 0.00 H new ATOM 640 N GLU A 41 -4.266 3.272 19.677 1.00 0.00 N ATOM 641 CA GLU A 41 -4.295 2.792 21.088 1.00 0.00 C ATOM 642 C GLU A 41 -5.117 1.502 21.188 1.00 0.00 C ATOM 643 O GLU A 41 -6.230 1.442 20.704 1.00 0.00 O ATOM 644 CB GLU A 41 -4.966 3.918 21.875 1.00 0.00 C ATOM 645 CG GLU A 41 -6.334 4.224 21.262 1.00 0.00 C ATOM 646 CD GLU A 41 -6.696 5.685 21.530 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.896 6.544 21.200 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.771 5.921 22.060 1.00 0.00 O ATOM 0 H GLU A 41 -4.957 2.844 19.060 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.299 2.566 21.470 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.080 3.628 22.919 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.340 4.810 21.859 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.315 4.034 20.189 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.091 3.566 21.689 1.00 0.00 H new ATOM 655 N PRO A 42 -4.542 0.506 21.812 1.00 0.00 N ATOM 656 CA PRO A 42 -5.234 -0.795 21.972 1.00 0.00 C ATOM 657 C PRO A 42 -6.529 -0.619 22.769 1.00 0.00 C ATOM 658 O PRO A 42 -6.531 -0.078 23.857 1.00 0.00 O ATOM 659 CB PRO A 42 -4.212 -1.625 22.754 1.00 0.00 C ATOM 660 CG PRO A 42 -2.964 -0.759 23.014 1.00 0.00 C ATOM 661 CD PRO A 42 -3.182 0.625 22.387 1.00 0.00 C ATOM 0 HA PRO A 42 -5.528 -1.255 21.029 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.642 -1.961 23.698 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.941 -2.518 22.191 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.787 -0.664 24.085 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.080 -1.232 22.586 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.124 1.421 23.130 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.436 0.847 21.623 1.00 0.00 H new ATOM 669 N VAL A 43 -7.631 -1.070 22.236 1.00 0.00 N ATOM 670 CA VAL A 43 -8.924 -0.925 22.963 1.00 0.00 C ATOM 671 C VAL A 43 -9.776 -2.185 22.789 1.00 0.00 C ATOM 672 O VAL A 43 -9.853 -2.749 21.716 1.00 0.00 O ATOM 673 CB VAL A 43 -9.606 0.279 22.315 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.856 -0.015 20.834 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.939 0.550 23.015 1.00 0.00 C ATOM 0 H VAL A 43 -7.692 -1.532 21.329 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.783 -0.787 24.035 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.964 1.155 22.409 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.343 0.843 20.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.906 -0.207 20.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.498 -0.891 20.740 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.425 1.409 22.552 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.583 -0.325 22.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.760 0.759 24.070 1.00 0.00 H new ATOM 685 N VAL A 44 -10.417 -2.629 23.836 1.00 0.00 N ATOM 686 CA VAL A 44 -11.262 -3.853 23.727 1.00 0.00 C ATOM 687 C VAL A 44 -12.351 -3.846 24.808 1.00 0.00 C ATOM 688 O VAL A 44 -12.212 -4.485 25.831 1.00 0.00 O ATOM 689 CB VAL A 44 -10.296 -5.020 23.940 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.084 -6.328 24.047 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.333 -5.105 22.755 1.00 0.00 C ATOM 0 H VAL A 44 -10.392 -2.198 24.760 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.774 -3.918 22.767 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.733 -4.860 24.860 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.393 -7.157 24.199 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.772 -6.270 24.890 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.648 -6.489 23.128 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.644 -5.936 22.905 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.899 -5.264 21.837 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.769 -4.176 22.677 1.00 0.00 H new ATOM 701 N PRO A 45 -13.406 -3.121 24.537 1.00 0.00 N ATOM 702 CA PRO A 45 -14.540 -3.024 25.488 1.00 0.00 C ATOM 703 C PRO A 45 -15.148 -4.408 25.731 1.00 0.00 C ATOM 704 O PRO A 45 -14.446 -5.398 25.794 1.00 0.00 O ATOM 705 CB PRO A 45 -15.518 -2.103 24.747 1.00 0.00 C ATOM 706 CG PRO A 45 -14.897 -1.706 23.394 1.00 0.00 C ATOM 707 CD PRO A 45 -13.518 -2.366 23.268 1.00 0.00 C ATOM 0 HA PRO A 45 -14.265 -2.647 26.473 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.470 -2.611 24.591 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.725 -1.214 25.343 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.543 -2.023 22.575 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.804 -0.622 23.325 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.460 -3.022 22.399 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.723 -1.628 23.164 1.00 0.00 H new ATOM 715 N ILE A 46 -16.446 -4.496 25.857 1.00 0.00 N ATOM 716 CA ILE A 46 -17.073 -5.830 26.080 1.00 0.00 C ATOM 717 C ILE A 46 -16.642 -6.765 24.955 1.00 0.00 C ATOM 718 O ILE A 46 -16.382 -7.935 25.157 1.00 0.00 O ATOM 719 CB ILE A 46 -18.581 -5.579 26.030 1.00 0.00 C ATOM 720 CG1 ILE A 46 -18.972 -4.601 27.140 1.00 0.00 C ATOM 721 CG2 ILE A 46 -19.325 -6.902 26.229 1.00 0.00 C ATOM 722 CD1 ILE A 46 -20.449 -4.227 26.993 1.00 0.00 C ATOM 0 H ILE A 46 -17.093 -3.709 25.816 1.00 0.00 H new ATOM 0 HA ILE A 46 -16.782 -6.288 27.025 1.00 0.00 H new ATOM 0 HB ILE A 46 -18.847 -5.155 25.062 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -18.796 -5.053 28.116 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.352 -3.706 27.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -20.400 -6.724 26.194 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -19.046 -7.599 25.438 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -19.059 -7.327 27.197 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -20.728 -3.530 27.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -20.611 -3.758 26.022 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -21.061 -5.126 27.068 1.00 0.00 H new ATOM 734 N LEU A 47 -16.546 -6.236 23.769 1.00 0.00 N ATOM 735 CA LEU A 47 -16.111 -7.053 22.607 1.00 0.00 C ATOM 736 C LEU A 47 -15.086 -6.254 21.801 1.00 0.00 C ATOM 737 O LEU A 47 -13.896 -6.480 21.895 1.00 0.00 O ATOM 738 CB LEU A 47 -17.380 -7.295 21.789 1.00 0.00 C ATOM 739 CG LEU A 47 -18.419 -8.008 22.658 1.00 0.00 C ATOM 740 CD1 LEU A 47 -19.659 -8.319 21.818 1.00 0.00 C ATOM 741 CD2 LEU A 47 -17.827 -9.312 23.197 1.00 0.00 C ATOM 0 H LEU A 47 -16.753 -5.261 23.554 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.645 -7.995 22.895 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.780 -6.347 21.429 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.150 -7.898 20.910 1.00 0.00 H new ATOM 0 HG LEU A 47 -18.697 -7.364 23.492 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.399 -8.827 22.436 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.082 -7.390 21.435 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.381 -8.962 20.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.567 -9.819 23.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.548 -9.957 22.364 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.944 -9.090 23.796 1.00 0.00 H new ATOM 753 N CYS A 48 -15.537 -5.316 21.016 1.00 0.00 N ATOM 754 CA CYS A 48 -14.590 -4.496 20.209 1.00 0.00 C ATOM 755 C CYS A 48 -15.059 -3.040 20.178 1.00 0.00 C ATOM 756 O CYS A 48 -16.238 -2.760 20.076 1.00 0.00 O ATOM 757 CB CYS A 48 -14.630 -5.105 18.807 1.00 0.00 C ATOM 758 SG CYS A 48 -13.746 -6.685 18.810 1.00 0.00 S ATOM 0 H CYS A 48 -16.523 -5.081 20.898 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.581 -4.499 20.621 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.663 -5.255 18.493 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.175 -4.423 18.089 1.00 0.00 H new ATOM 763 N SER A 49 -14.149 -2.109 20.271 1.00 0.00 N ATOM 764 CA SER A 49 -14.549 -0.672 20.253 1.00 0.00 C ATOM 765 C SER A 49 -15.280 -0.336 18.952 1.00 0.00 C ATOM 766 O SER A 49 -16.330 0.275 18.958 1.00 0.00 O ATOM 767 CB SER A 49 -13.237 0.105 20.347 1.00 0.00 C ATOM 768 OG SER A 49 -13.517 1.486 20.523 1.00 0.00 O ATOM 0 H SER A 49 -13.147 -2.280 20.359 1.00 0.00 H new ATOM 0 HA SER A 49 -15.230 -0.425 21.068 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.641 -0.266 21.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.647 -0.045 19.443 1.00 0.00 H new ATOM 0 HG SER A 49 -12.676 1.985 20.585 1.00 0.00 H new ATOM 774 N ASN A 50 -14.731 -0.728 17.839 1.00 0.00 N ATOM 775 CA ASN A 50 -15.391 -0.431 16.536 1.00 0.00 C ATOM 776 C ASN A 50 -16.520 -1.434 16.270 1.00 0.00 C ATOM 777 O ASN A 50 -16.271 -2.612 16.102 1.00 0.00 O ATOM 778 CB ASN A 50 -14.284 -0.583 15.492 1.00 0.00 C ATOM 779 CG ASN A 50 -13.687 0.791 15.179 1.00 0.00 C ATOM 780 OD1 ASN A 50 -12.483 0.946 15.130 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.483 1.801 14.963 1.00 0.00 N ATOM 0 H ASN A 50 -13.853 -1.242 17.773 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.840 0.562 16.517 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.508 -1.253 15.864 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.685 -1.033 14.584 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.095 2.721 14.753 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.494 1.671 15.004 1.00 0.00 H new ATOM 788 N PRO A 51 -17.730 -0.936 16.240 1.00 0.00 N ATOM 789 CA PRO A 51 -18.909 -1.800 15.992 1.00 0.00 C ATOM 790 C PRO A 51 -18.801 -2.482 14.624 1.00 0.00 C ATOM 791 O PRO A 51 -19.560 -3.373 14.302 1.00 0.00 O ATOM 792 CB PRO A 51 -20.070 -0.802 16.022 1.00 0.00 C ATOM 793 CG PRO A 51 -19.506 0.607 16.291 1.00 0.00 C ATOM 794 CD PRO A 51 -17.982 0.509 16.448 1.00 0.00 C ATOM 0 HA PRO A 51 -19.019 -2.608 16.715 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.607 -0.819 15.074 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.784 -1.077 16.798 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.758 1.278 15.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.952 1.026 17.193 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.458 1.122 15.714 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.653 0.840 17.433 1.00 0.00 H new ATOM 802 N ASN A 52 -17.860 -2.071 13.820 1.00 0.00 N ATOM 803 CA ASN A 52 -17.700 -2.698 12.477 1.00 0.00 C ATOM 804 C ASN A 52 -16.215 -2.897 12.167 1.00 0.00 C ATOM 805 O ASN A 52 -15.781 -2.766 11.040 1.00 0.00 O ATOM 806 CB ASN A 52 -18.327 -1.705 11.501 1.00 0.00 C ATOM 807 CG ASN A 52 -19.822 -1.567 11.801 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.334 -0.470 11.901 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.548 -2.642 11.948 1.00 0.00 N ATOM 0 H ASN A 52 -17.195 -1.328 14.034 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.172 -3.679 12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.837 -0.735 11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.181 -2.045 10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.545 -2.561 12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.118 -3.563 11.864 1.00 0.00 H new ATOM 816 N PHE A 53 -15.437 -3.225 13.161 1.00 0.00 N ATOM 817 CA PHE A 53 -13.980 -3.446 12.931 1.00 0.00 C ATOM 818 C PHE A 53 -13.789 -4.772 12.194 1.00 0.00 C ATOM 819 O PHE A 53 -14.756 -5.419 11.844 1.00 0.00 O ATOM 820 CB PHE A 53 -13.359 -3.504 14.333 1.00 0.00 C ATOM 821 CG PHE A 53 -13.463 -4.910 14.887 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.721 -5.469 15.142 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.302 -5.657 15.146 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.822 -6.768 15.654 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.405 -6.959 15.659 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.665 -7.512 15.912 1.00 0.00 C ATOM 0 H PHE A 53 -15.747 -3.350 14.125 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.519 -2.665 12.327 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.314 -3.197 14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.869 -2.805 14.995 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.615 -4.897 14.943 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.330 -5.229 14.950 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.794 -7.196 15.850 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.513 -7.534 15.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.745 -8.514 16.307 1.00 0.00 H new ATOM 836 N PRO A 54 -12.555 -5.152 11.991 1.00 0.00 N ATOM 837 CA PRO A 54 -12.271 -6.429 11.309 1.00 0.00 C ATOM 838 C PRO A 54 -12.914 -7.579 12.088 1.00 0.00 C ATOM 839 O PRO A 54 -12.254 -8.331 12.774 1.00 0.00 O ATOM 840 CB PRO A 54 -10.740 -6.496 11.344 1.00 0.00 C ATOM 841 CG PRO A 54 -10.205 -5.222 12.026 1.00 0.00 C ATOM 842 CD PRO A 54 -11.394 -4.341 12.429 1.00 0.00 C ATOM 0 HA PRO A 54 -12.665 -6.501 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.413 -7.382 11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.342 -6.579 10.333 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.614 -5.484 12.904 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.546 -4.679 11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.413 -4.151 13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.367 -3.370 11.934 1.00 0.00 H new ATOM 850 N GLU A 55 -14.211 -7.703 11.996 1.00 0.00 N ATOM 851 CA GLU A 55 -14.919 -8.784 12.736 1.00 0.00 C ATOM 852 C GLU A 55 -14.143 -10.099 12.633 1.00 0.00 C ATOM 853 O GLU A 55 -14.080 -10.864 13.574 1.00 0.00 O ATOM 854 CB GLU A 55 -16.284 -8.893 12.060 1.00 0.00 C ATOM 855 CG GLU A 55 -17.150 -9.898 12.822 1.00 0.00 C ATOM 856 CD GLU A 55 -18.501 -10.043 12.120 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.688 -9.406 11.098 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.327 -10.790 12.619 1.00 0.00 O ATOM 0 H GLU A 55 -14.812 -7.098 11.437 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.013 -8.568 13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.771 -7.918 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.165 -9.211 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.648 -10.864 12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.296 -9.563 13.849 1.00 0.00 H new ATOM 865 N GLU A 56 -13.534 -10.362 11.509 1.00 0.00 N ATOM 866 CA GLU A 56 -12.748 -11.622 11.378 1.00 0.00 C ATOM 867 C GLU A 56 -11.758 -11.713 12.542 1.00 0.00 C ATOM 868 O GLU A 56 -11.256 -12.768 12.874 1.00 0.00 O ATOM 869 CB GLU A 56 -12.008 -11.499 10.045 1.00 0.00 C ATOM 870 CG GLU A 56 -11.307 -12.820 9.729 1.00 0.00 C ATOM 871 CD GLU A 56 -10.482 -12.666 8.449 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.452 -11.567 7.918 1.00 0.00 O ATOM 873 OE2 GLU A 56 -9.896 -13.647 8.023 1.00 0.00 O ATOM 0 H GLU A 56 -13.546 -9.765 10.682 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.371 -12.516 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.709 -11.247 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.279 -10.690 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.661 -13.109 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.043 -13.615 9.607 1.00 0.00 H new ATOM 880 N LEU A 57 -11.490 -10.598 13.165 1.00 0.00 N ATOM 881 CA LEU A 57 -10.549 -10.579 14.319 1.00 0.00 C ATOM 882 C LEU A 57 -11.335 -10.713 15.620 1.00 0.00 C ATOM 883 O LEU A 57 -10.829 -10.485 16.705 1.00 0.00 O ATOM 884 CB LEU A 57 -9.859 -9.220 14.233 1.00 0.00 C ATOM 885 CG LEU A 57 -8.864 -9.247 13.077 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.614 -9.442 11.756 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.088 -7.929 13.037 1.00 0.00 C ATOM 0 H LEU A 57 -11.887 -9.691 12.921 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.829 -11.397 14.297 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.596 -8.432 14.079 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.345 -8.998 15.168 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.167 -10.073 13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.901 -9.461 10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.161 -10.384 11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.315 -8.620 11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.378 -7.950 12.211 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.783 -7.101 12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.549 -7.795 13.975 1.00 0.00 H new ATOM 899 N LYS A 58 -12.577 -11.092 15.509 1.00 0.00 N ATOM 900 CA LYS A 58 -13.429 -11.261 16.718 1.00 0.00 C ATOM 901 C LYS A 58 -12.623 -11.906 17.846 1.00 0.00 C ATOM 902 O LYS A 58 -12.586 -11.391 18.946 1.00 0.00 O ATOM 903 CB LYS A 58 -14.564 -12.181 16.275 1.00 0.00 C ATOM 904 CG LYS A 58 -15.868 -11.383 16.207 1.00 0.00 C ATOM 905 CD LYS A 58 -16.935 -12.213 15.493 1.00 0.00 C ATOM 906 CE LYS A 58 -18.248 -12.134 16.273 1.00 0.00 C ATOM 907 NZ LYS A 58 -19.131 -11.261 15.450 1.00 0.00 N ATOM 0 H LYS A 58 -13.042 -11.294 14.624 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.801 -10.310 17.099 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.338 -12.613 15.300 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.668 -13.011 16.974 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.203 -11.127 17.212 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.706 -10.445 15.676 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.080 -11.843 14.478 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.610 -13.250 15.411 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.686 -13.123 16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.093 -11.714 17.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.121 -11.397 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.863 -10.266 15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.027 -11.510 14.446 1.00 0.00 H new ATOM 921 N PRO A 59 -11.993 -13.014 17.543 1.00 0.00 N ATOM 922 CA PRO A 59 -11.179 -13.713 18.555 1.00 0.00 C ATOM 923 C PRO A 59 -10.142 -12.751 19.135 1.00 0.00 C ATOM 924 O PRO A 59 -9.965 -12.668 20.333 1.00 0.00 O ATOM 925 CB PRO A 59 -10.528 -14.839 17.748 1.00 0.00 C ATOM 926 CG PRO A 59 -11.016 -14.743 16.289 1.00 0.00 C ATOM 927 CD PRO A 59 -12.055 -13.618 16.190 1.00 0.00 C ATOM 0 HA PRO A 59 -11.743 -14.089 19.408 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.442 -14.756 17.790 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.790 -15.809 18.172 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.177 -14.542 15.623 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.454 -15.690 15.974 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.803 -12.898 15.411 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.049 -14.001 15.960 1.00 0.00 H new ATOM 935 N LEU A 60 -9.464 -12.010 18.301 1.00 0.00 N ATOM 936 CA LEU A 60 -8.457 -11.050 18.826 1.00 0.00 C ATOM 937 C LEU A 60 -9.080 -10.229 19.952 1.00 0.00 C ATOM 938 O LEU A 60 -8.504 -10.066 21.009 1.00 0.00 O ATOM 939 CB LEU A 60 -8.107 -10.152 17.639 1.00 0.00 C ATOM 940 CG LEU A 60 -6.651 -9.702 17.750 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.795 -10.521 16.781 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.545 -8.217 17.395 1.00 0.00 C ATOM 0 H LEU A 60 -9.564 -12.029 17.286 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.574 -11.545 19.230 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.262 -10.691 16.704 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.766 -9.284 17.620 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.298 -9.855 18.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.755 -10.203 16.857 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.871 -11.579 17.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.149 -10.365 15.762 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.506 -7.897 17.475 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.896 -8.061 16.375 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.158 -7.634 18.082 1.00 0.00 H new ATOM 954 N CYS A 61 -10.261 -9.718 19.735 1.00 0.00 N ATOM 955 CA CYS A 61 -10.927 -8.912 20.795 1.00 0.00 C ATOM 956 C CYS A 61 -11.313 -9.805 21.977 1.00 0.00 C ATOM 957 O CYS A 61 -11.407 -9.357 23.103 1.00 0.00 O ATOM 958 CB CYS A 61 -12.176 -8.339 20.127 1.00 0.00 C ATOM 959 SG CYS A 61 -11.687 -7.152 18.851 1.00 0.00 S ATOM 0 H CYS A 61 -10.792 -9.824 18.871 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.278 -8.130 21.188 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.766 -9.142 19.685 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.807 -7.851 20.870 1.00 0.00 H new ATOM 964 N LYS A 62 -11.541 -11.067 21.732 1.00 0.00 N ATOM 965 CA LYS A 62 -11.925 -11.986 22.841 1.00 0.00 C ATOM 966 C LYS A 62 -10.677 -12.544 23.532 1.00 0.00 C ATOM 967 O LYS A 62 -10.765 -13.380 24.409 1.00 0.00 O ATOM 968 CB LYS A 62 -12.712 -13.111 22.167 1.00 0.00 C ATOM 969 CG LYS A 62 -13.967 -12.533 21.512 1.00 0.00 C ATOM 970 CD LYS A 62 -14.732 -13.650 20.798 1.00 0.00 C ATOM 971 CE LYS A 62 -15.288 -14.630 21.834 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.745 -14.715 21.533 1.00 0.00 N ATOM 0 H LYS A 62 -11.478 -11.501 20.811 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.509 -11.480 23.609 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.093 -13.605 21.418 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.988 -13.867 22.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.602 -12.068 22.266 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.693 -11.754 20.801 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.545 -13.228 20.207 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.072 -14.172 20.105 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.809 -15.606 21.752 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.114 -14.274 22.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.200 -15.369 22.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.174 -13.772 21.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.879 -15.063 20.562 1.00 0.00 H new ATOM 986 N GLU A 63 -9.516 -12.087 23.149 1.00 0.00 N ATOM 987 CA GLU A 63 -8.271 -12.596 23.794 1.00 0.00 C ATOM 988 C GLU A 63 -7.483 -11.435 24.411 1.00 0.00 C ATOM 989 O GLU A 63 -7.492 -10.335 23.894 1.00 0.00 O ATOM 990 CB GLU A 63 -7.475 -13.257 22.669 1.00 0.00 C ATOM 991 CG GLU A 63 -7.098 -12.210 21.620 1.00 0.00 C ATOM 992 CD GLU A 63 -5.883 -12.701 20.828 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.135 -13.500 21.365 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.723 -12.271 19.699 1.00 0.00 O ATOM 0 H GLU A 63 -9.375 -11.387 22.421 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.482 -13.298 24.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.575 -13.722 23.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.066 -14.050 22.210 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.938 -12.034 20.948 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.872 -11.260 22.103 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.831 -11.719 25.508 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.034 -10.690 26.220 1.00 0.00 C ATOM 1003 C PRO A 64 -4.901 -10.164 25.334 1.00 0.00 C ATOM 1004 O PRO A 64 -4.337 -9.119 25.590 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.478 -11.465 27.419 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.983 -12.920 27.346 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.855 -13.080 26.093 1.00 0.00 C ATOM 0 HA PRO A 64 -6.614 -9.812 26.503 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.388 -11.443 27.411 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.799 -11.000 28.351 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.140 -13.610 27.310 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.558 -13.165 28.239 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.448 -13.823 25.408 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.868 -13.397 26.342 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.556 -10.882 24.299 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.450 -10.419 23.412 1.00 0.00 C ATOM 1017 C ASN A 65 -3.952 -9.345 22.441 1.00 0.00 C ATOM 1018 O ASN A 65 -3.175 -8.678 21.787 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.010 -11.668 22.647 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.599 -12.755 23.643 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.982 -13.900 23.503 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.830 -12.443 24.649 1.00 0.00 N ATOM 0 H ASN A 65 -4.990 -11.765 24.030 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.632 -9.973 23.977 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.823 -12.026 22.015 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.176 -11.429 21.988 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.550 -13.160 25.318 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.509 -11.482 24.766 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.241 -9.168 22.344 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.778 -8.133 21.416 1.00 0.00 C ATOM 1031 C ALA A 66 -5.062 -6.800 21.648 1.00 0.00 C ATOM 1032 O ALA A 66 -4.755 -6.077 20.721 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.258 -8.011 21.774 1.00 0.00 C ATOM 0 H ALA A 66 -5.943 -9.693 22.865 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.632 -8.399 20.369 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.727 -7.265 21.132 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.748 -8.974 21.629 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.356 -7.707 22.816 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.798 -6.470 22.884 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.105 -5.184 23.186 1.00 0.00 C ATOM 1041 C GLN A 67 -2.765 -5.111 22.448 1.00 0.00 C ATOM 1042 O GLN A 67 -2.421 -4.101 21.868 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.883 -5.206 24.699 1.00 0.00 C ATOM 1044 CG GLN A 67 -3.342 -3.850 25.156 1.00 0.00 C ATOM 1045 CD GLN A 67 -2.941 -3.931 26.630 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.786 -3.925 27.502 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -1.677 -4.007 26.946 1.00 0.00 N ATOM 0 H GLN A 67 -5.033 -7.037 23.699 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.685 -4.318 22.867 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.819 -5.427 25.211 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.181 -5.997 24.963 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.482 -3.566 24.549 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.099 -3.079 25.016 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.968 -4.012 26.213 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.399 -4.061 27.926 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.005 -6.172 22.464 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.688 -6.155 21.764 1.00 0.00 C ATOM 1058 C GLU A 68 -0.880 -6.384 20.262 1.00 0.00 C ATOM 1059 O GLU A 68 -0.169 -5.831 19.445 1.00 0.00 O ATOM 1060 CB GLU A 68 0.106 -7.305 22.384 1.00 0.00 C ATOM 1061 CG GLU A 68 0.384 -6.991 23.855 1.00 0.00 C ATOM 1062 CD GLU A 68 1.231 -8.109 24.465 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.406 -9.120 23.805 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.689 -7.936 25.582 1.00 0.00 O ATOM 0 H GLU A 68 -2.238 -7.049 22.930 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.176 -5.199 21.875 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.454 -8.236 22.298 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.044 -7.446 21.847 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.905 -6.037 23.942 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.555 -6.893 24.400 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.834 -7.194 19.891 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.068 -7.454 18.442 1.00 0.00 C ATOM 1073 C ILE A 69 -2.621 -6.199 17.764 1.00 0.00 C ATOM 1074 O ILE A 69 -2.153 -5.784 16.723 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.098 -8.582 18.397 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.541 -9.817 19.108 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.408 -8.929 16.939 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.636 -10.881 19.217 1.00 0.00 C ATOM 0 H ILE A 69 -2.461 -7.686 20.528 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.150 -7.722 17.920 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.011 -8.259 18.898 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.688 -10.213 18.557 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.182 -9.547 20.101 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.143 -9.734 16.905 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.808 -8.050 16.433 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.494 -9.251 16.439 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.239 -11.761 19.723 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.475 -10.482 19.786 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.974 -11.159 18.219 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.622 -5.596 18.345 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.212 -4.370 17.734 1.00 0.00 C ATOM 1092 C LEU A 70 -3.105 -3.417 17.275 1.00 0.00 C ATOM 1093 O LEU A 70 -2.963 -3.139 16.101 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.042 -3.729 18.847 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.645 -2.410 18.350 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.655 -1.272 18.602 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.937 -2.509 16.850 1.00 0.00 C ATOM 0 H LEU A 70 -4.057 -5.899 19.216 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.816 -4.600 16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.836 -4.408 19.159 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.417 -3.547 19.721 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.573 -2.212 18.886 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.082 -0.333 18.249 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.449 -1.198 19.670 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.727 -1.472 18.067 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.366 -1.570 16.500 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.011 -2.708 16.311 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.643 -3.320 16.669 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.321 -2.915 18.188 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.227 -1.980 17.798 1.00 0.00 C ATOM 1111 C GLN A 71 -0.429 -2.560 16.628 1.00 0.00 C ATOM 1112 O GLN A 71 -0.244 -1.921 15.612 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.349 -1.862 19.042 1.00 0.00 C ATOM 1114 CG GLN A 71 0.701 -0.770 18.827 1.00 0.00 C ATOM 1115 CD GLN A 71 1.659 -0.747 20.019 1.00 0.00 C ATOM 1116 OE1 GLN A 71 2.295 -1.737 20.321 1.00 0.00 O ATOM 1117 NE2 GLN A 71 1.789 0.349 20.714 1.00 0.00 N ATOM 0 H GLN A 71 -2.390 -3.111 19.187 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.605 -1.011 17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.962 -1.625 19.911 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.139 -2.815 19.247 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.253 -0.957 17.906 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.216 0.200 18.717 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.255 1.180 20.460 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.425 0.375 21.511 1.00 0.00 H new ATOM 1126 N ARG A 72 0.046 -3.768 16.763 1.00 0.00 N ATOM 1127 CA ARG A 72 0.831 -4.388 15.657 1.00 0.00 C ATOM 1128 C ARG A 72 0.051 -4.286 14.343 1.00 0.00 C ATOM 1129 O ARG A 72 0.515 -3.713 13.377 1.00 0.00 O ATOM 1130 CB ARG A 72 1.009 -5.852 16.062 1.00 0.00 C ATOM 1131 CG ARG A 72 1.886 -5.934 17.314 1.00 0.00 C ATOM 1132 CD ARG A 72 2.076 -7.401 17.708 1.00 0.00 C ATOM 1133 NE ARG A 72 2.986 -7.962 16.668 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.178 -9.252 16.595 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.375 -9.744 16.766 1.00 0.00 N ATOM 1136 NH2 ARG A 72 2.174 -10.048 16.353 1.00 0.00 N ATOM 0 H ARG A 72 -0.075 -4.352 17.590 1.00 0.00 H new ATOM 0 HA ARG A 72 1.790 -3.893 15.502 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.038 -6.307 16.255 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.467 -6.412 15.247 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.853 -5.469 17.125 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.422 -5.383 18.133 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.511 -7.490 18.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.124 -7.931 17.728 1.00 0.00 H new ATOM 0 HE ARG A 72 3.458 -7.338 16.014 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.160 -9.121 16.957 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.525 -10.751 16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.239 -9.663 16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.324 -11.055 16.296 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.134 -4.832 14.303 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.942 -4.759 13.054 1.00 0.00 C ATOM 1152 C LEU A 73 -1.915 -3.334 12.503 1.00 0.00 C ATOM 1153 O LEU A 73 -1.665 -3.113 11.335 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.361 -5.148 13.474 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.358 -6.584 14.001 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.798 -7.042 14.241 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.696 -7.501 12.972 1.00 0.00 C ATOM 0 H LEU A 73 -1.576 -5.324 15.079 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.560 -5.414 12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.724 -4.467 14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.040 -5.061 12.626 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.803 -6.627 14.938 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.797 -8.065 14.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.271 -6.387 14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.354 -7.000 13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.693 -8.525 13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.252 -7.458 12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.670 -7.174 12.800 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.167 -2.364 13.337 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.152 -0.953 12.864 1.00 0.00 C ATOM 1171 C GLU A 74 -0.815 -0.637 12.187 1.00 0.00 C ATOM 1172 O GLU A 74 -0.767 0.032 11.174 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.328 -0.110 14.127 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.665 -0.454 14.787 1.00 0.00 C ATOM 1175 CD GLU A 74 -3.857 0.413 16.033 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -2.862 0.778 16.637 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -4.997 0.698 16.362 1.00 0.00 O ATOM 0 H GLU A 74 -2.383 -2.488 14.326 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.933 -0.754 12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.509 -0.299 14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.296 0.950 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.482 -0.287 14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.688 -1.509 15.058 1.00 0.00 H new ATOM 1184 N GLU A 75 0.274 -1.111 12.734 1.00 0.00 N ATOM 1185 CA GLU A 75 1.602 -0.830 12.113 1.00 0.00 C ATOM 1186 C GLU A 75 1.664 -1.422 10.704 1.00 0.00 C ATOM 1187 O GLU A 75 1.944 -0.734 9.742 1.00 0.00 O ATOM 1188 CB GLU A 75 2.620 -1.520 13.023 1.00 0.00 C ATOM 1189 CG GLU A 75 2.627 -0.839 14.392 1.00 0.00 C ATOM 1190 CD GLU A 75 3.717 -1.463 15.266 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.292 -2.452 14.846 1.00 0.00 O ATOM 1192 OE2 GLU A 75 3.957 -0.939 16.342 1.00 0.00 O ATOM 0 H GLU A 75 0.301 -1.679 13.581 1.00 0.00 H new ATOM 0 HA GLU A 75 1.793 0.239 12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.370 -2.575 13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.613 -1.472 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.805 0.230 14.277 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.654 -0.950 14.871 1.00 0.00 H new ATOM 1199 N ILE A 76 1.402 -2.695 10.574 1.00 0.00 N ATOM 1200 CA ILE A 76 1.445 -3.327 9.225 1.00 0.00 C ATOM 1201 C ILE A 76 0.378 -2.703 8.324 1.00 0.00 C ATOM 1202 O ILE A 76 0.618 -2.407 7.170 1.00 0.00 O ATOM 1203 CB ILE A 76 1.145 -4.805 9.468 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.223 -5.399 10.377 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.137 -5.550 8.132 1.00 0.00 C ATOM 1206 CD1 ILE A 76 1.987 -6.903 10.534 1.00 0.00 C ATOM 0 H ILE A 76 1.161 -3.322 11.341 1.00 0.00 H new ATOM 0 HA ILE A 76 2.406 -3.186 8.730 1.00 0.00 H new ATOM 0 HB ILE A 76 0.170 -4.905 9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.211 -5.217 9.954 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.200 -4.913 11.352 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.923 -6.605 8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.371 -5.126 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.112 -5.451 7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.755 -7.326 11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.005 -7.073 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.032 -7.382 9.556 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.797 -2.487 8.848 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.875 -1.870 8.025 1.00 0.00 C ATOM 1220 C ALA A 77 -1.355 -0.584 7.381 1.00 0.00 C ATOM 1221 O ALA A 77 -1.680 -0.263 6.255 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.002 -1.562 9.012 1.00 0.00 C ATOM 0 H ALA A 77 -1.057 -2.711 9.809 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.214 -2.522 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.836 -1.104 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.336 -2.487 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.638 -0.876 9.777 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.547 0.152 8.093 1.00 0.00 N ATOM 1229 CA GLU A 78 0.002 1.419 7.533 1.00 0.00 C ATOM 1230 C GLU A 78 0.930 1.121 6.351 1.00 0.00 C ATOM 1231 O GLU A 78 0.895 1.792 5.339 1.00 0.00 O ATOM 1232 CB GLU A 78 0.786 2.052 8.684 1.00 0.00 C ATOM 1233 CG GLU A 78 1.272 3.442 8.268 1.00 0.00 C ATOM 1234 CD GLU A 78 2.144 4.030 9.380 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.347 3.348 10.371 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.593 5.153 9.220 1.00 0.00 O ATOM 0 H GLU A 78 -0.243 -0.070 9.041 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.782 2.079 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.155 2.126 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.635 1.422 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.841 3.378 7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.420 4.094 8.075 1.00 0.00 H new ATOM 1243 N ASP A 79 1.764 0.121 6.469 1.00 0.00 N ATOM 1244 CA ASP A 79 2.691 -0.208 5.346 1.00 0.00 C ATOM 1245 C ASP A 79 2.877 -1.726 5.232 1.00 0.00 C ATOM 1246 O ASP A 79 2.737 -2.443 6.204 1.00 0.00 O ATOM 1247 CB ASP A 79 4.014 0.466 5.713 1.00 0.00 C ATOM 1248 CG ASP A 79 4.324 1.568 4.697 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.400 2.017 4.038 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.480 1.944 4.594 1.00 0.00 O ATOM 0 H ASP A 79 1.843 -0.479 7.290 1.00 0.00 H new ATOM 0 HA ASP A 79 2.309 0.136 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.953 0.888 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.818 -0.270 5.725 1.00 0.00 H new ATOM 1255 N PRO A 80 3.189 -2.161 4.041 1.00 0.00 N ATOM 1256 CA PRO A 80 3.401 -3.605 3.779 1.00 0.00 C ATOM 1257 C PRO A 80 4.574 -4.141 4.600 1.00 0.00 C ATOM 1258 O PRO A 80 4.397 -4.939 5.500 1.00 0.00 O ATOM 1259 CB PRO A 80 3.722 -3.630 2.281 1.00 0.00 C ATOM 1260 CG PRO A 80 3.683 -2.187 1.741 1.00 0.00 C ATOM 1261 CD PRO A 80 3.346 -1.235 2.896 1.00 0.00 C ATOM 0 HA PRO A 80 2.547 -4.226 4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.705 -4.069 2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.000 -4.251 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.645 -1.922 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.937 -2.100 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.140 -0.509 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.434 -0.670 2.703 1.00 0.00 H new ATOM 1269 N GLY A 81 5.771 -3.725 4.296 1.00 0.00 N ATOM 1270 CA GLY A 81 6.943 -4.229 5.059 1.00 0.00 C ATOM 1271 C GLY A 81 7.395 -5.555 4.446 1.00 0.00 C ATOM 1272 O GLY A 81 7.401 -5.720 3.242 1.00 0.00 O ATOM 0 H GLY A 81 5.987 -3.059 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.755 -3.502 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.680 -4.368 6.108 1.00 0.00 H new ATOM 1276 N THR A 82 7.768 -6.500 5.260 1.00 0.00 N ATOM 1277 CA THR A 82 8.211 -7.813 4.714 1.00 0.00 C ATOM 1278 C THR A 82 6.993 -8.680 4.379 1.00 0.00 C ATOM 1279 O THR A 82 7.068 -9.597 3.584 1.00 0.00 O ATOM 1280 CB THR A 82 9.029 -8.450 5.837 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.174 -8.739 6.937 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.127 -7.483 6.284 1.00 0.00 C ATOM 0 H THR A 82 7.786 -6.422 6.277 1.00 0.00 H new ATOM 0 HA THR A 82 8.790 -7.708 3.797 1.00 0.00 H new ATOM 0 HB THR A 82 9.485 -9.372 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.637 -8.531 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.709 -7.939 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.781 -7.260 5.441 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.674 -6.560 6.645 1.00 0.00 H new ATOM 1290 N CYS A 83 5.871 -8.397 4.983 1.00 0.00 N ATOM 1291 CA CYS A 83 4.653 -9.208 4.703 1.00 0.00 C ATOM 1292 C CYS A 83 4.344 -9.196 3.203 1.00 0.00 C ATOM 1293 O CYS A 83 4.136 -10.226 2.592 1.00 0.00 O ATOM 1294 CB CYS A 83 3.531 -8.532 5.494 1.00 0.00 C ATOM 1295 SG CYS A 83 2.117 -9.653 5.619 1.00 0.00 S ATOM 0 H CYS A 83 5.746 -7.641 5.656 1.00 0.00 H new ATOM 0 HA CYS A 83 4.776 -10.252 4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.885 -8.264 6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.232 -7.606 5.002 1.00 0.00 H new ATOM 1300 N GLU A 84 4.306 -8.038 2.606 1.00 0.00 N ATOM 1301 CA GLU A 84 3.999 -7.958 1.149 1.00 0.00 C ATOM 1302 C GLU A 84 5.074 -8.666 0.317 1.00 0.00 C ATOM 1303 O GLU A 84 4.810 -9.134 -0.773 1.00 0.00 O ATOM 1304 CB GLU A 84 3.981 -6.465 0.834 1.00 0.00 C ATOM 1305 CG GLU A 84 3.576 -6.258 -0.628 1.00 0.00 C ATOM 1306 CD GLU A 84 3.746 -4.784 -1.002 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.279 -4.045 -0.190 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.341 -4.419 -2.093 1.00 0.00 O ATOM 0 H GLU A 84 4.474 -7.142 3.064 1.00 0.00 H new ATOM 0 HA GLU A 84 3.055 -8.446 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.281 -5.952 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.965 -6.032 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.189 -6.882 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.541 -6.565 -0.776 1.00 0.00 H new ATOM 1315 N ILE A 85 6.284 -8.744 0.804 1.00 0.00 N ATOM 1316 CA ILE A 85 7.354 -9.417 0.012 1.00 0.00 C ATOM 1317 C ILE A 85 7.613 -10.827 0.552 1.00 0.00 C ATOM 1318 O ILE A 85 8.589 -11.463 0.206 1.00 0.00 O ATOM 1319 CB ILE A 85 8.591 -8.534 0.186 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.155 -8.715 1.596 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.207 -7.068 -0.023 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.228 -7.655 1.857 1.00 0.00 C ATOM 0 H ILE A 85 6.576 -8.374 1.709 1.00 0.00 H new ATOM 0 HA ILE A 85 7.080 -9.531 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 85 9.345 -8.821 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.356 -8.628 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.581 -9.713 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.089 -6.440 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.806 -6.937 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.452 -6.782 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.630 -7.784 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.031 -7.763 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.788 -6.662 1.767 1.00 0.00 H new ATOM 1334 N CYS A 86 6.746 -11.320 1.393 1.00 0.00 N ATOM 1335 CA CYS A 86 6.942 -12.690 1.949 1.00 0.00 C ATOM 1336 C CYS A 86 8.289 -12.787 2.671 1.00 0.00 C ATOM 1337 O CYS A 86 8.760 -13.863 2.982 1.00 0.00 O ATOM 1338 CB CYS A 86 6.918 -13.617 0.734 1.00 0.00 C ATOM 1339 SG CYS A 86 6.297 -15.244 1.225 1.00 0.00 S ATOM 0 H CYS A 86 5.911 -10.834 1.719 1.00 0.00 H new ATOM 0 HA CYS A 86 6.175 -12.950 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.284 -13.195 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.920 -13.710 0.315 1.00 0.00 H new ATOM 1344 N ALA A 87 8.914 -11.674 2.939 1.00 0.00 N ATOM 1345 CA ALA A 87 10.228 -11.711 3.642 1.00 0.00 C ATOM 1346 C ALA A 87 10.051 -12.271 5.055 1.00 0.00 C ATOM 1347 O ALA A 87 10.985 -12.750 5.666 1.00 0.00 O ATOM 1348 CB ALA A 87 10.691 -10.255 3.696 1.00 0.00 C ATOM 0 H ALA A 87 8.573 -10.742 2.702 1.00 0.00 H new ATOM 0 HA ALA A 87 10.952 -12.348 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.655 -10.198 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.789 -9.866 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.959 -9.661 4.243 1.00 0.00 H new ATOM 1354 N TYR A 88 8.856 -12.213 5.577 1.00 0.00 N ATOM 1355 CA TYR A 88 8.613 -12.740 6.950 1.00 0.00 C ATOM 1356 C TYR A 88 7.334 -13.583 6.970 1.00 0.00 C ATOM 1357 O TYR A 88 6.573 -13.595 6.024 1.00 0.00 O ATOM 1358 CB TYR A 88 8.453 -11.499 7.827 1.00 0.00 C ATOM 1359 CG TYR A 88 9.002 -11.776 9.206 1.00 0.00 C ATOM 1360 CD1 TYR A 88 8.180 -12.345 10.186 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.335 -11.465 9.504 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.689 -12.601 11.464 1.00 0.00 C ATOM 1363 CE2 TYR A 88 10.844 -11.722 10.783 1.00 0.00 C ATOM 1364 CZ TYR A 88 10.021 -12.290 11.763 1.00 0.00 C ATOM 1365 OH TYR A 88 10.523 -12.542 13.023 1.00 0.00 O ATOM 0 H TYR A 88 8.037 -11.823 5.111 1.00 0.00 H new ATOM 0 HA TYR A 88 9.422 -13.382 7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.978 -10.655 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.401 -11.222 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.153 -12.586 9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.970 -11.027 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.054 -13.039 12.220 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.871 -11.482 11.013 1.00 0.00 H new ATOM 0 HH TYR A 88 11.463 -12.268 13.061 1.00 0.00 H new ATOM 1375 N ALA A 89 7.093 -14.287 8.042 1.00 0.00 N ATOM 1376 CA ALA A 89 5.861 -15.125 8.119 1.00 0.00 C ATOM 1377 C ALA A 89 4.631 -14.238 8.335 1.00 0.00 C ATOM 1378 O ALA A 89 3.520 -14.716 8.453 1.00 0.00 O ATOM 1379 CB ALA A 89 6.081 -16.040 9.324 1.00 0.00 C ATOM 0 H ALA A 89 7.693 -14.319 8.866 1.00 0.00 H new ATOM 0 HA ALA A 89 5.687 -15.691 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.216 -16.691 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.971 -16.647 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.213 -15.435 10.221 1.00 0.00 H new ATOM 1385 N ALA A 90 4.822 -12.949 8.391 1.00 0.00 N ATOM 1386 CA ALA A 90 3.668 -12.028 8.603 1.00 0.00 C ATOM 1387 C ALA A 90 2.627 -12.205 7.494 1.00 0.00 C ATOM 1388 O ALA A 90 1.438 -12.175 7.738 1.00 0.00 O ATOM 1389 CB ALA A 90 4.272 -10.624 8.553 1.00 0.00 C ATOM 0 H ALA A 90 5.729 -12.492 8.299 1.00 0.00 H new ATOM 0 HA ALA A 90 3.156 -12.222 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.485 -9.884 8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.020 -10.521 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.742 -10.464 7.583 1.00 0.00 H new ATOM 1395 N CYS A 91 3.061 -12.380 6.275 1.00 0.00 N ATOM 1396 CA CYS A 91 2.089 -12.548 5.156 1.00 0.00 C ATOM 1397 C CYS A 91 2.012 -14.012 4.719 1.00 0.00 C ATOM 1398 O CYS A 91 3.000 -14.608 4.340 1.00 0.00 O ATOM 1399 CB CYS A 91 2.638 -11.688 4.022 1.00 0.00 C ATOM 1400 SG CYS A 91 1.622 -10.200 3.846 1.00 0.00 S ATOM 0 H CYS A 91 4.044 -12.414 6.006 1.00 0.00 H new ATOM 0 HA CYS A 91 1.081 -12.254 5.448 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.672 -11.413 4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.638 -12.253 3.090 1.00 0.00 H new ATOM 1405 N THR A 92 0.847 -14.593 4.768 1.00 0.00 N ATOM 1406 CA THR A 92 0.707 -16.017 4.353 1.00 0.00 C ATOM 1407 C THR A 92 0.121 -16.102 2.941 1.00 0.00 C ATOM 1408 O THR A 92 -0.325 -15.119 2.383 1.00 0.00 O ATOM 1409 CB THR A 92 -0.252 -16.628 5.373 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.563 -16.131 5.144 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.201 -16.252 6.783 1.00 0.00 C ATOM 0 H THR A 92 -0.015 -14.144 5.077 1.00 0.00 H new ATOM 0 HA THR A 92 1.663 -16.539 4.328 1.00 0.00 H new ATOM 0 HB THR A 92 -0.254 -17.713 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.180 -16.523 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.482 -16.687 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.207 -16.633 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.201 -15.167 6.888 1.00 0.00 H new ATOM 1419 N GLY A 93 0.120 -17.269 2.359 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.436 -17.416 0.985 1.00 0.00 C ATOM 1421 C GLY A 93 0.666 -17.145 -0.040 1.00 0.00 C ATOM 1422 O GLY A 93 0.430 -17.134 -1.232 1.00 0.00 O ATOM 0 H GLY A 93 0.480 -18.127 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.836 -18.421 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.263 -16.721 0.839 1.00 0.00 H new ATOM 1426 N CYS A 94 1.870 -16.927 0.414 1.00 0.00 N ATOM 1427 CA CYS A 94 2.989 -16.657 -0.534 1.00 0.00 C ATOM 1428 C CYS A 94 3.386 -17.945 -1.262 1.00 0.00 C ATOM 1429 O CYS A 94 4.199 -18.679 -0.725 1.00 0.00 O ATOM 1430 CB CYS A 94 4.138 -16.160 0.342 1.00 0.00 C ATOM 1431 SG CYS A 94 5.489 -15.570 -0.709 1.00 0.00 S ATOM 1432 OXT CYS A 94 2.870 -18.173 -2.344 1.00 0.00 O ATOM 0 H CYS A 94 2.128 -16.924 1.401 1.00 0.00 H new ATOM 0 HA CYS A 94 2.717 -15.930 -1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.792 -15.357 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 94 4.491 -16.964 0.988 1.00 0.00 H new TER 1437 CYS A 94