USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 HIS : no HE2:sc= 0.317 K(o=0.31,f=-2.3!) USER MOD Set 1.2: A 86 HIS : no HD1:sc=-0.00248 X(o=0.31,f=0.31) USER MOD Set 2.1: A 51 MET CE :methyl -136:sc= -0.338 (180deg=-1.25) USER MOD Set 2.2: A 61 MET CE :methyl 150:sc= -4.31! (180deg=-6.49!) USER MOD Set 2.3: A 74 HIS : no HE2:sc= -0.243 X(o=-4.9,f=-5.4) USER MOD Set 3.1: A 54 THR OG1 : rot -78:sc= 0.838 USER MOD Set 3.2: A 55 ASN : amide:sc= 0.606 K(o=1.4,f=-3.4!) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.46 K(o=2.6,f=-2.6) USER MOD Set 4.2: A 8 LYS NZ :NH3+ -158:sc= 2.18 (180deg=0.502) USER MOD Single : A 1 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.22) USER MOD Single : A 1 HIS N :NH3+ -111:sc= 0.115 (180deg=-0.0788) USER MOD Single : A 2 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.29) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 15 THR OG1 : rot 66:sc= 1.03 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 43:sc= 0.197 USER MOD Single : A 29 ASN : amide:sc= -4.07! K(o=-4.1!,f=-1.7) USER MOD Single : A 34 ASN : amide:sc= -3.3! C(o=-3.3!,f=-11!) USER MOD Single : A 37 GLN : amide:sc= -2.75! K(o=-2.7!,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= -15.4! C(o=-15!,f=-16!) USER MOD Single : A 40 ASN : amide:sc= -0.0744 K(o=-0.074,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3.3!) USER MOD Single : A 48 TYR OH : rot 97:sc= 0.765 USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 0.198 (180deg=-0.305) USER MOD Single : A 56 ASN : amide:sc= -7.96! C(o=-8!,f=-10!) USER MOD Single : A 59 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 62 SER OG : rot -68:sc= 1.27 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 69 GLN : amide:sc= -7.09! C(o=-7.1!,f=-9.8!) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 1.13 (180deg=1.01) USER MOD Single : A 78 THR OG1 : rot -61:sc= 0.858 USER MOD Single : A 88 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.038) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.454 1.559 13.690 1.00 0.00 N ATOM 2 CA HIS A 1 -3.400 0.608 14.317 1.00 0.00 C ATOM 3 C HIS A 1 -4.140 1.271 15.477 1.00 0.00 C ATOM 4 O HIS A 1 -3.529 1.639 16.479 1.00 0.00 O ATOM 5 CB HIS A 1 -2.669 -0.666 14.794 1.00 0.00 C ATOM 6 CG HIS A 1 -1.615 -0.440 15.842 1.00 0.00 C ATOM 7 ND1 HIS A 1 -1.767 -0.832 17.155 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.391 0.131 15.764 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.686 -0.508 17.836 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.165 0.079 17.016 1.00 0.00 N ATOM 0 H1 HIS A 1 -2.792 1.808 12.738 1.00 0.00 H new ATOM 0 H2 HIS A 1 -2.390 2.419 14.271 1.00 0.00 H new ATOM 0 H3 HIS A 1 -1.514 1.119 13.620 1.00 0.00 H new ATOM 0 HA HIS A 1 -4.132 0.315 13.565 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -3.407 -1.364 15.188 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.205 -1.145 13.932 1.00 0.00 H new ATOM 0 HD2 HIS A 1 0.064 0.550 14.879 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.524 -0.692 18.888 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.086 0.436 17.272 1.00 0.00 H new ATOM 21 N HIS A 2 -5.452 1.457 15.313 1.00 0.00 N ATOM 22 CA HIS A 2 -6.306 2.023 16.353 1.00 0.00 C ATOM 23 C HIS A 2 -6.004 3.511 16.516 1.00 0.00 C ATOM 24 O HIS A 2 -6.202 4.103 17.577 1.00 0.00 O ATOM 25 CB HIS A 2 -6.142 1.263 17.681 1.00 0.00 C ATOM 26 CG HIS A 2 -7.202 1.569 18.696 1.00 0.00 C ATOM 27 ND1 HIS A 2 -6.957 2.285 19.843 1.00 0.00 N ATOM 28 CD2 HIS A 2 -8.515 1.241 18.734 1.00 0.00 C ATOM 29 CE1 HIS A 2 -8.067 2.387 20.543 1.00 0.00 C ATOM 30 NE2 HIS A 2 -9.030 1.761 19.895 1.00 0.00 N ATOM 0 H HIS A 2 -5.949 1.219 14.455 1.00 0.00 H new ATOM 0 HA HIS A 2 -7.348 1.914 16.052 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.147 0.192 17.477 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.167 1.502 18.106 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -9.056 0.676 17.990 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.172 2.898 21.489 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -9.998 1.677 20.205 1.00 0.00 H new ATOM 39 N GLN A 3 -5.515 4.108 15.440 1.00 0.00 N ATOM 40 CA GLN A 3 -5.257 5.536 15.405 1.00 0.00 C ATOM 41 C GLN A 3 -6.488 6.264 14.896 1.00 0.00 C ATOM 42 O GLN A 3 -7.034 7.142 15.564 1.00 0.00 O ATOM 43 CB GLN A 3 -4.074 5.852 14.485 1.00 0.00 C ATOM 44 CG GLN A 3 -3.794 7.345 14.357 1.00 0.00 C ATOM 45 CD GLN A 3 -2.914 7.689 13.169 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.032 8.772 12.591 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.030 6.780 12.793 1.00 0.00 N ATOM 0 H GLN A 3 -5.288 3.619 14.574 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.017 5.866 16.416 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.183 5.353 14.866 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.272 5.440 13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.740 7.879 14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.315 7.698 15.270 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.962 5.896 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.416 6.963 12.000 1.00 0.00 H new ATOM 56 N GLU A 4 -6.920 5.872 13.706 1.00 0.00 N ATOM 57 CA GLU A 4 -8.013 6.533 13.016 1.00 0.00 C ATOM 58 C GLU A 4 -8.392 5.701 11.794 1.00 0.00 C ATOM 59 O GLU A 4 -8.694 6.233 10.724 1.00 0.00 O ATOM 60 CB GLU A 4 -7.556 7.940 12.601 1.00 0.00 C ATOM 61 CG GLU A 4 -8.623 8.807 11.958 1.00 0.00 C ATOM 62 CD GLU A 4 -8.010 9.863 11.066 1.00 0.00 C ATOM 63 OE1 GLU A 4 -7.231 9.489 10.162 1.00 0.00 O ATOM 64 OE2 GLU A 4 -8.291 11.063 11.262 1.00 0.00 O ATOM 0 H GLU A 4 -6.521 5.086 13.193 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.885 6.625 13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.176 8.455 13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.723 7.843 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.299 8.182 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.221 9.286 12.733 1.00 0.00 H new ATOM 71 N LEU A 5 -8.376 4.381 11.978 1.00 0.00 N ATOM 72 CA LEU A 5 -8.449 3.430 10.870 1.00 0.00 C ATOM 73 C LEU A 5 -7.228 3.624 9.974 1.00 0.00 C ATOM 74 O LEU A 5 -6.240 2.902 10.109 1.00 0.00 O ATOM 75 CB LEU A 5 -9.751 3.589 10.069 1.00 0.00 C ATOM 76 CG LEU A 5 -9.986 2.540 8.979 1.00 0.00 C ATOM 77 CD1 LEU A 5 -10.180 1.162 9.591 1.00 0.00 C ATOM 78 CD2 LEU A 5 -11.186 2.921 8.126 1.00 0.00 C ATOM 0 H LEU A 5 -8.312 3.942 12.897 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.452 2.417 11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.590 3.560 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.754 4.576 9.606 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.104 2.506 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.345 0.432 8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.290 0.887 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.043 1.178 10.256 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.340 2.165 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.074 2.984 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.006 3.887 7.655 1.00 0.00 H new ATOM 90 N CYS A 6 -7.312 4.630 9.104 1.00 0.00 N ATOM 91 CA CYS A 6 -6.193 5.123 8.302 1.00 0.00 C ATOM 92 C CYS A 6 -6.753 5.937 7.152 1.00 0.00 C ATOM 93 O CYS A 6 -6.601 5.574 5.987 1.00 0.00 O ATOM 94 CB CYS A 6 -5.313 3.997 7.754 1.00 0.00 C ATOM 95 SG CYS A 6 -3.583 4.502 7.473 1.00 0.00 S ATOM 0 H CYS A 6 -8.181 5.137 8.933 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.558 5.731 8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.331 3.160 8.452 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.736 3.639 6.816 1.00 0.00 H new ATOM 100 N THR A 7 -7.441 7.021 7.482 1.00 0.00 N ATOM 101 CA THR A 7 -8.118 7.803 6.480 1.00 0.00 C ATOM 102 C THR A 7 -7.583 9.230 6.402 1.00 0.00 C ATOM 103 O THR A 7 -7.022 9.622 5.375 1.00 0.00 O ATOM 104 CB THR A 7 -9.634 7.834 6.759 1.00 0.00 C ATOM 105 OG1 THR A 7 -9.877 8.226 8.117 1.00 0.00 O ATOM 106 CG2 THR A 7 -10.258 6.470 6.507 1.00 0.00 C ATOM 0 H THR A 7 -7.540 7.371 8.435 1.00 0.00 H new ATOM 0 HA THR A 7 -7.929 7.323 5.520 1.00 0.00 H new ATOM 0 HB THR A 7 -10.088 8.559 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.842 8.245 8.284 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.328 6.516 6.710 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.098 6.183 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.796 5.732 7.162 1.00 0.00 H new ATOM 114 N LYS A 8 -7.712 9.985 7.500 1.00 0.00 N ATOM 115 CA LYS A 8 -7.631 11.442 7.437 1.00 0.00 C ATOM 116 C LYS A 8 -8.645 11.892 6.393 1.00 0.00 C ATOM 117 O LYS A 8 -8.360 12.683 5.476 1.00 0.00 O ATOM 118 CB LYS A 8 -6.219 11.932 7.094 1.00 0.00 C ATOM 119 CG LYS A 8 -5.138 11.422 8.033 1.00 0.00 C ATOM 120 CD LYS A 8 -5.345 11.907 9.456 1.00 0.00 C ATOM 121 CE LYS A 8 -4.389 11.215 10.416 1.00 0.00 C ATOM 122 NZ LYS A 8 -4.543 9.738 10.369 1.00 0.00 N ATOM 0 H LYS A 8 -7.872 9.610 8.435 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.856 11.873 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.976 11.624 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.211 13.022 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.131 10.332 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.162 11.752 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.193 12.985 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.374 11.717 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.363 11.483 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.572 11.569 11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.181 9.323 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.549 9.497 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.007 9.359 9.563 1.00 0.00 H new ATOM 136 N GLY A 9 -9.831 11.308 6.532 1.00 0.00 N ATOM 137 CA GLY A 9 -10.881 11.458 5.557 1.00 0.00 C ATOM 138 C GLY A 9 -10.534 10.797 4.239 1.00 0.00 C ATOM 139 O GLY A 9 -9.392 10.380 4.018 1.00 0.00 O ATOM 0 H GLY A 9 -10.081 10.720 7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.802 11.025 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.072 12.518 5.391 1.00 0.00 H new ATOM 143 N ASP A 10 -11.507 10.685 3.349 1.00 0.00 N ATOM 144 CA ASP A 10 -11.227 10.127 2.038 1.00 0.00 C ATOM 145 C ASP A 10 -10.331 11.078 1.269 1.00 0.00 C ATOM 146 O ASP A 10 -9.660 10.682 0.325 1.00 0.00 O ATOM 147 CB ASP A 10 -12.499 9.818 1.245 1.00 0.00 C ATOM 148 CG ASP A 10 -13.251 11.057 0.808 1.00 0.00 C ATOM 149 OD1 ASP A 10 -14.061 11.573 1.607 1.00 0.00 O ATOM 150 OD2 ASP A 10 -13.051 11.508 -0.339 1.00 0.00 O ATOM 0 H ASP A 10 -12.475 10.966 3.505 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.718 9.174 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.236 9.232 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.157 9.199 1.855 1.00 0.00 H new ATOM 155 N ASP A 11 -10.307 12.333 1.707 1.00 0.00 N ATOM 156 CA ASP A 11 -9.398 13.321 1.148 1.00 0.00 C ATOM 157 C ASP A 11 -7.966 12.821 1.213 1.00 0.00 C ATOM 158 O ASP A 11 -7.321 12.636 0.180 1.00 0.00 O ATOM 159 CB ASP A 11 -9.510 14.660 1.886 1.00 0.00 C ATOM 160 CG ASP A 11 -10.747 15.439 1.494 1.00 0.00 C ATOM 161 OD1 ASP A 11 -10.760 16.022 0.389 1.00 0.00 O ATOM 162 OD2 ASP A 11 -11.707 15.477 2.289 1.00 0.00 O ATOM 0 H ASP A 11 -10.909 12.688 2.450 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.679 13.476 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.525 14.478 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.625 15.261 1.677 1.00 0.00 H new ATOM 167 N ALA A 12 -7.470 12.559 2.420 1.00 0.00 N ATOM 168 CA ALA A 12 -6.081 12.161 2.563 1.00 0.00 C ATOM 169 C ALA A 12 -5.850 10.715 2.136 1.00 0.00 C ATOM 170 O ALA A 12 -4.763 10.384 1.670 1.00 0.00 O ATOM 171 CB ALA A 12 -5.589 12.390 3.975 1.00 0.00 C ATOM 0 H ALA A 12 -7.998 12.614 3.291 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.500 12.793 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.546 12.083 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.675 13.448 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.191 11.805 4.670 1.00 0.00 H new ATOM 177 N LEU A 13 -6.857 9.848 2.269 1.00 0.00 N ATOM 178 CA LEU A 13 -6.672 8.453 1.859 1.00 0.00 C ATOM 179 C LEU A 13 -6.627 8.330 0.333 1.00 0.00 C ATOM 180 O LEU A 13 -6.085 7.368 -0.196 1.00 0.00 O ATOM 181 CB LEU A 13 -7.726 7.510 2.479 1.00 0.00 C ATOM 182 CG LEU A 13 -9.183 7.671 2.023 1.00 0.00 C ATOM 183 CD1 LEU A 13 -9.427 6.993 0.681 1.00 0.00 C ATOM 184 CD2 LEU A 13 -10.122 7.098 3.071 1.00 0.00 C ATOM 0 H LEU A 13 -7.778 10.075 2.644 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.707 8.130 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.421 6.484 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.697 7.639 3.561 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.379 8.736 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.469 7.127 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.779 7.437 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.208 5.929 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.153 7.217 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.906 6.039 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.981 7.627 4.014 1.00 0.00 H new ATOM 196 N VAL A 14 -7.194 9.311 -0.365 1.00 0.00 N ATOM 197 CA VAL A 14 -7.103 9.381 -1.820 1.00 0.00 C ATOM 198 C VAL A 14 -5.825 10.113 -2.220 1.00 0.00 C ATOM 199 O VAL A 14 -5.246 9.850 -3.271 1.00 0.00 O ATOM 200 CB VAL A 14 -8.336 10.072 -2.455 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.126 10.331 -3.942 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.583 9.227 -2.253 1.00 0.00 C ATOM 0 H VAL A 14 -7.725 10.073 0.058 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.079 8.359 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.466 11.032 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.010 10.816 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.259 10.977 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.958 9.385 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.439 9.728 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.443 8.253 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.763 9.093 -1.186 1.00 0.00 H new ATOM 212 N THR A 15 -5.375 11.027 -1.370 1.00 0.00 N ATOM 213 CA THR A 15 -4.070 11.636 -1.554 1.00 0.00 C ATOM 214 C THR A 15 -2.996 10.557 -1.434 1.00 0.00 C ATOM 215 O THR A 15 -2.147 10.397 -2.317 1.00 0.00 O ATOM 216 CB THR A 15 -3.818 12.756 -0.529 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.856 13.739 -0.623 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.470 13.419 -0.765 1.00 0.00 C ATOM 0 H THR A 15 -5.891 11.359 -0.555 1.00 0.00 H new ATOM 0 HA THR A 15 -4.034 12.089 -2.545 1.00 0.00 H new ATOM 0 HB THR A 15 -3.816 12.313 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.708 13.343 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.318 14.206 -0.027 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.678 12.676 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.447 13.850 -1.766 1.00 0.00 H new ATOM 226 N GLU A 16 -3.057 9.790 -0.349 1.00 0.00 N ATOM 227 CA GLU A 16 -2.203 8.629 -0.209 1.00 0.00 C ATOM 228 C GLU A 16 -2.516 7.622 -1.304 1.00 0.00 C ATOM 229 O GLU A 16 -1.618 6.968 -1.794 1.00 0.00 O ATOM 230 CB GLU A 16 -2.335 7.987 1.175 1.00 0.00 C ATOM 231 CG GLU A 16 -1.709 8.824 2.278 1.00 0.00 C ATOM 232 CD GLU A 16 -1.549 8.063 3.580 1.00 0.00 C ATOM 233 OE1 GLU A 16 -0.803 7.062 3.609 1.00 0.00 O ATOM 234 OE2 GLU A 16 -2.163 8.475 4.585 1.00 0.00 O ATOM 0 H GLU A 16 -3.686 9.955 0.437 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.169 8.957 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.390 7.832 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.864 7.004 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.732 9.178 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.326 9.706 2.452 1.00 0.00 H new ATOM 241 N LEU A 17 -3.788 7.516 -1.702 1.00 0.00 N ATOM 242 CA LEU A 17 -4.165 6.674 -2.834 1.00 0.00 C ATOM 243 C LEU A 17 -3.337 7.025 -4.069 1.00 0.00 C ATOM 244 O LEU A 17 -2.815 6.147 -4.755 1.00 0.00 O ATOM 245 CB LEU A 17 -5.650 6.822 -3.166 1.00 0.00 C ATOM 246 CG LEU A 17 -6.467 5.541 -3.060 1.00 0.00 C ATOM 247 CD1 LEU A 17 -7.935 5.820 -3.345 1.00 0.00 C ATOM 248 CD2 LEU A 17 -5.931 4.485 -4.015 1.00 0.00 C ATOM 0 H LEU A 17 -4.568 8.001 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.969 5.641 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.083 7.567 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.743 7.211 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.379 5.161 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.504 4.894 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.315 6.543 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.040 6.224 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.527 3.577 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.988 4.857 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.893 4.263 -3.767 1.00 0.00 H new ATOM 260 N GLU A 18 -3.226 8.321 -4.332 1.00 0.00 N ATOM 261 CA GLU A 18 -2.434 8.835 -5.442 1.00 0.00 C ATOM 262 C GLU A 18 -0.965 8.462 -5.251 1.00 0.00 C ATOM 263 O GLU A 18 -0.254 8.161 -6.207 1.00 0.00 O ATOM 264 CB GLU A 18 -2.585 10.356 -5.514 1.00 0.00 C ATOM 265 CG GLU A 18 -2.010 10.988 -6.771 1.00 0.00 C ATOM 266 CD GLU A 18 -2.851 10.712 -8.000 1.00 0.00 C ATOM 267 OE1 GLU A 18 -3.966 11.264 -8.098 1.00 0.00 O ATOM 268 OE2 GLU A 18 -2.398 9.950 -8.882 1.00 0.00 O ATOM 0 H GLU A 18 -3.684 9.047 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.789 8.394 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.644 10.607 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.098 10.798 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.928 12.065 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.001 10.610 -6.934 1.00 0.00 H new ATOM 275 N CYS A 19 -0.539 8.450 -3.997 1.00 0.00 N ATOM 276 CA CYS A 19 0.840 8.147 -3.649 1.00 0.00 C ATOM 277 C CYS A 19 1.025 6.643 -3.471 1.00 0.00 C ATOM 278 O CYS A 19 2.111 6.172 -3.149 1.00 0.00 O ATOM 279 CB CYS A 19 1.262 8.919 -2.398 1.00 0.00 C ATOM 280 SG CYS A 19 1.142 10.732 -2.591 1.00 0.00 S ATOM 0 H CYS A 19 -1.137 8.649 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 19 1.487 8.467 -4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.638 8.608 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.289 8.655 -2.146 1.00 0.00 H new ATOM 285 N ILE A 20 -0.063 5.907 -3.633 1.00 0.00 N ATOM 286 CA ILE A 20 -0.010 4.454 -3.719 1.00 0.00 C ATOM 287 C ILE A 20 0.006 4.008 -5.186 1.00 0.00 C ATOM 288 O ILE A 20 0.732 3.089 -5.564 1.00 0.00 O ATOM 289 CB ILE A 20 -1.215 3.793 -3.007 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.190 4.094 -1.507 1.00 0.00 C ATOM 291 CG2 ILE A 20 -1.217 2.289 -3.238 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.430 3.626 -0.775 1.00 0.00 C ATOM 0 H ILE A 20 -1.003 6.296 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 20 0.906 4.136 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.128 4.212 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.315 3.618 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.076 5.168 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.072 1.844 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.284 2.085 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.296 1.859 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.343 3.873 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.307 4.121 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.534 2.547 -0.889 1.00 0.00 H new ATOM 304 N ARG A 21 -0.790 4.681 -6.015 1.00 0.00 N ATOM 305 CA ARG A 21 -0.970 4.275 -7.411 1.00 0.00 C ATOM 306 C ARG A 21 0.090 4.857 -8.329 1.00 0.00 C ATOM 307 O ARG A 21 0.180 4.473 -9.493 1.00 0.00 O ATOM 308 CB ARG A 21 -2.327 4.715 -7.938 1.00 0.00 C ATOM 309 CG ARG A 21 -3.507 3.937 -7.391 1.00 0.00 C ATOM 310 CD ARG A 21 -4.805 4.443 -7.994 1.00 0.00 C ATOM 311 NE ARG A 21 -5.918 3.533 -7.747 1.00 0.00 N ATOM 312 CZ ARG A 21 -6.454 2.754 -8.682 1.00 0.00 C ATOM 313 NH1 ARG A 21 -5.995 2.789 -9.929 1.00 0.00 N ATOM 314 NH2 ARG A 21 -7.464 1.955 -8.380 1.00 0.00 N ATOM 0 H ARG A 21 -1.321 5.509 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.888 3.188 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.466 5.770 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.325 4.627 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.385 2.877 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.542 4.033 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.040 5.423 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.677 4.575 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.307 3.492 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.228 3.416 -10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.410 2.189 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.833 1.936 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.874 1.358 -9.098 1.00 0.00 H new ATOM 328 N LEU A 22 0.877 5.781 -7.817 1.00 0.00 N ATOM 329 CA LEU A 22 1.904 6.453 -8.610 1.00 0.00 C ATOM 330 C LEU A 22 3.060 5.514 -8.982 1.00 0.00 C ATOM 331 O LEU A 22 4.137 5.971 -9.353 1.00 0.00 O ATOM 332 CB LEU A 22 2.402 7.710 -7.856 1.00 0.00 C ATOM 333 CG LEU A 22 3.296 7.527 -6.600 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.014 6.232 -5.847 1.00 0.00 C ATOM 335 CD2 LEU A 22 4.772 7.637 -6.958 1.00 0.00 C ATOM 0 H LEU A 22 0.829 6.091 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 22 1.458 6.764 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.955 8.323 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.525 8.283 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 22 3.039 8.340 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.672 6.165 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.975 6.222 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.193 5.382 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.375 7.505 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.029 6.866 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.970 8.619 -7.387 1.00 0.00 H new ATOM 347 N ARG A 23 2.812 4.200 -8.892 1.00 0.00 N ATOM 348 CA ARG A 23 3.829 3.162 -9.137 1.00 0.00 C ATOM 349 C ARG A 23 4.868 3.123 -8.012 1.00 0.00 C ATOM 350 O ARG A 23 5.510 2.099 -7.778 1.00 0.00 O ATOM 351 CB ARG A 23 4.506 3.365 -10.497 1.00 0.00 C ATOM 352 CG ARG A 23 5.571 2.331 -10.818 1.00 0.00 C ATOM 353 CD ARG A 23 6.139 2.537 -12.210 1.00 0.00 C ATOM 354 NE ARG A 23 5.137 2.312 -13.251 1.00 0.00 N ATOM 355 CZ ARG A 23 5.434 2.125 -14.534 1.00 0.00 C ATOM 356 NH1 ARG A 23 6.691 2.235 -14.947 1.00 0.00 N ATOM 357 NH2 ARG A 23 4.473 1.851 -15.406 1.00 0.00 N ATOM 0 H ARG A 23 1.897 3.823 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 23 3.319 2.199 -9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.745 3.342 -11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.958 4.357 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.373 2.392 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.144 1.331 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.529 3.551 -12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.979 1.859 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 23 4.154 2.298 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.429 2.463 -14.280 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.919 2.092 -15.931 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.505 1.783 -15.093 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.702 1.708 -16.390 1.00 0.00 H new ATOM 371 N ILE A 24 5.000 4.243 -7.317 1.00 0.00 N ATOM 372 CA ILE A 24 5.882 4.383 -6.174 1.00 0.00 C ATOM 373 C ILE A 24 7.340 4.264 -6.605 1.00 0.00 C ATOM 374 O ILE A 24 7.875 5.187 -7.219 1.00 0.00 O ATOM 375 CB ILE A 24 5.526 3.387 -5.035 1.00 0.00 C ATOM 376 CG1 ILE A 24 3.997 3.316 -4.873 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.172 3.815 -3.732 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.519 2.783 -3.539 1.00 0.00 C ATOM 0 H ILE A 24 4.486 5.095 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 24 5.736 5.381 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 24 5.907 2.400 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.585 4.315 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.592 2.686 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.911 3.106 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.255 3.840 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.815 4.808 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.429 2.771 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.895 1.770 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.888 3.423 -2.738 1.00 0.00 H new ATOM 390 N SER A 25 7.958 3.133 -6.321 1.00 0.00 N ATOM 391 CA SER A 25 9.332 2.871 -6.737 1.00 0.00 C ATOM 392 C SER A 25 9.809 1.496 -6.247 1.00 0.00 C ATOM 393 O SER A 25 10.341 0.714 -7.034 1.00 0.00 O ATOM 394 CB SER A 25 10.299 3.959 -6.258 1.00 0.00 C ATOM 395 OG SER A 25 11.580 3.815 -6.853 1.00 0.00 O ATOM 0 H SER A 25 7.528 2.370 -5.798 1.00 0.00 H new ATOM 0 HA SER A 25 9.332 2.878 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.892 4.941 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.393 3.912 -5.173 1.00 0.00 H new ATOM 0 HG SER A 25 12.173 4.525 -6.529 1.00 0.00 H new ATOM 401 N PRO A 26 9.645 1.194 -4.931 1.00 0.00 N ATOM 402 CA PRO A 26 10.094 -0.077 -4.318 1.00 0.00 C ATOM 403 C PRO A 26 9.439 -1.341 -4.891 1.00 0.00 C ATOM 404 O PRO A 26 8.845 -1.329 -5.968 1.00 0.00 O ATOM 405 CB PRO A 26 9.672 0.098 -2.849 1.00 0.00 C ATOM 406 CG PRO A 26 9.666 1.559 -2.647 1.00 0.00 C ATOM 407 CD PRO A 26 9.067 2.087 -3.905 1.00 0.00 C ATOM 0 HA PRO A 26 11.158 -0.234 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.689 -0.334 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.370 -0.395 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.077 1.840 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.673 1.946 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.978 2.036 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.335 3.130 -4.076 1.00 0.00 H new ATOM 415 N GLU A 27 9.532 -2.430 -4.125 1.00 0.00 N ATOM 416 CA GLU A 27 8.910 -3.714 -4.474 1.00 0.00 C ATOM 417 C GLU A 27 7.386 -3.603 -4.426 1.00 0.00 C ATOM 418 O GLU A 27 6.672 -4.575 -4.671 1.00 0.00 O ATOM 419 CB GLU A 27 9.413 -4.810 -3.529 1.00 0.00 C ATOM 420 CG GLU A 27 9.006 -6.221 -3.912 1.00 0.00 C ATOM 421 CD GLU A 27 10.038 -7.246 -3.493 1.00 0.00 C ATOM 422 OE1 GLU A 27 10.703 -7.035 -2.458 1.00 0.00 O ATOM 423 OE2 GLU A 27 10.203 -8.260 -4.204 1.00 0.00 O ATOM 0 H GLU A 27 10.042 -2.449 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 27 9.192 -3.980 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.501 -4.761 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.044 -4.601 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.049 -6.460 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.859 -6.275 -4.991 1.00 0.00 H new ATOM 430 N THR A 28 6.921 -2.405 -4.077 1.00 0.00 N ATOM 431 CA THR A 28 5.510 -2.062 -4.018 1.00 0.00 C ATOM 432 C THR A 28 4.664 -2.812 -5.049 1.00 0.00 C ATOM 433 O THR A 28 3.714 -3.502 -4.683 1.00 0.00 O ATOM 434 CB THR A 28 5.341 -0.537 -4.235 1.00 0.00 C ATOM 435 OG1 THR A 28 3.958 -0.194 -4.331 1.00 0.00 O ATOM 436 CG2 THR A 28 6.053 -0.075 -5.491 1.00 0.00 C ATOM 0 H THR A 28 7.534 -1.630 -3.822 1.00 0.00 H new ATOM 0 HA THR A 28 5.153 -2.360 -3.032 1.00 0.00 H new ATOM 0 HB THR A 28 5.785 -0.037 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.452 -0.682 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.914 0.999 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.117 -0.297 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.640 -0.595 -6.355 1.00 0.00 H new ATOM 444 N ASN A 29 5.036 -2.729 -6.317 1.00 0.00 N ATOM 445 CA ASN A 29 4.216 -3.285 -7.376 1.00 0.00 C ATOM 446 C ASN A 29 4.054 -4.781 -7.196 1.00 0.00 C ATOM 447 O ASN A 29 2.939 -5.271 -7.101 1.00 0.00 O ATOM 448 CB ASN A 29 4.817 -2.974 -8.746 1.00 0.00 C ATOM 449 CG ASN A 29 4.577 -1.542 -9.202 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.568 -1.264 -10.399 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.358 -0.625 -8.263 1.00 0.00 N ATOM 0 H ASN A 29 5.897 -2.284 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 29 3.231 -2.822 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.890 -3.162 -8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.395 -3.657 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.175 0.343 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.373 -0.890 -7.278 1.00 0.00 H new ATOM 458 N ALA A 30 5.173 -5.488 -7.086 1.00 0.00 N ATOM 459 CA ALA A 30 5.152 -6.941 -6.998 1.00 0.00 C ATOM 460 C ALA A 30 4.513 -7.410 -5.695 1.00 0.00 C ATOM 461 O ALA A 30 3.550 -8.184 -5.707 1.00 0.00 O ATOM 462 CB ALA A 30 6.568 -7.487 -7.118 1.00 0.00 C ATOM 0 H ALA A 30 6.106 -5.077 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 30 4.547 -7.323 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.545 -8.575 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.992 -7.191 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.182 -7.087 -6.311 1.00 0.00 H new ATOM 468 N ALA A 31 5.037 -6.907 -4.584 1.00 0.00 N ATOM 469 CA ALA A 31 4.645 -7.368 -3.256 1.00 0.00 C ATOM 470 C ALA A 31 3.182 -7.075 -2.949 1.00 0.00 C ATOM 471 O ALA A 31 2.454 -7.959 -2.508 1.00 0.00 O ATOM 472 CB ALA A 31 5.539 -6.739 -2.204 1.00 0.00 C ATOM 0 H ALA A 31 5.743 -6.171 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 31 4.765 -8.451 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.240 -7.088 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.575 -7.022 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.446 -5.654 -2.249 1.00 0.00 H new ATOM 478 N PHE A 32 2.749 -5.831 -3.120 1.00 0.00 N ATOM 479 CA PHE A 32 1.337 -5.526 -2.938 1.00 0.00 C ATOM 480 C PHE A 32 0.486 -6.244 -3.982 1.00 0.00 C ATOM 481 O PHE A 32 -0.642 -6.593 -3.704 1.00 0.00 O ATOM 482 CB PHE A 32 1.068 -4.021 -2.988 1.00 0.00 C ATOM 483 CG PHE A 32 2.006 -3.294 -2.102 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.461 -3.906 -0.958 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.517 -2.068 -2.455 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.397 -3.307 -0.174 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.481 -1.474 -1.678 1.00 0.00 C ATOM 488 CZ PHE A 32 3.920 -2.102 -0.539 1.00 0.00 C ATOM 0 H PHE A 32 3.337 -5.038 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 32 1.059 -5.884 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.173 -3.661 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.041 -3.819 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.071 -4.873 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.160 -1.571 -3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.726 -3.785 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.892 -0.517 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.683 -1.640 0.070 1.00 0.00 H new ATOM 498 N ASP A 33 1.024 -6.486 -5.177 1.00 0.00 N ATOM 499 CA ASP A 33 0.244 -7.137 -6.230 1.00 0.00 C ATOM 500 C ASP A 33 -0.272 -8.484 -5.747 1.00 0.00 C ATOM 501 O ASP A 33 -1.475 -8.751 -5.799 1.00 0.00 O ATOM 502 CB ASP A 33 1.068 -7.325 -7.505 1.00 0.00 C ATOM 503 CG ASP A 33 0.210 -7.731 -8.690 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.039 -8.943 -8.870 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.225 -6.837 -9.450 1.00 0.00 O ATOM 0 H ASP A 33 1.980 -6.246 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.600 -6.488 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.590 -6.397 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.830 -8.085 -7.334 1.00 0.00 H new ATOM 510 N ASN A 34 0.631 -9.323 -5.245 1.00 0.00 N ATOM 511 CA ASN A 34 0.228 -10.625 -4.721 1.00 0.00 C ATOM 512 C ASN A 34 -0.393 -10.494 -3.330 1.00 0.00 C ATOM 513 O ASN A 34 -1.175 -11.344 -2.897 1.00 0.00 O ATOM 514 CB ASN A 34 1.384 -11.638 -4.706 1.00 0.00 C ATOM 515 CG ASN A 34 2.616 -11.179 -3.947 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.973 -10.018 -3.962 1.00 0.00 O ATOM 517 ND2 ASN A 34 3.277 -12.103 -3.275 1.00 0.00 N ATOM 0 H ASN A 34 1.631 -9.129 -5.190 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.529 -11.012 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.028 -12.569 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.669 -11.860 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.113 -11.850 -2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.951 -13.070 -3.282 1.00 0.00 H new ATOM 524 N ALA A 35 -0.068 -9.419 -2.637 1.00 0.00 N ATOM 525 CA ALA A 35 -0.654 -9.161 -1.330 1.00 0.00 C ATOM 526 C ALA A 35 -2.123 -8.796 -1.456 1.00 0.00 C ATOM 527 O ALA A 35 -2.996 -9.451 -0.887 1.00 0.00 O ATOM 528 CB ALA A 35 0.101 -8.059 -0.624 1.00 0.00 C ATOM 0 H ALA A 35 0.595 -8.712 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.579 -10.073 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.349 -7.877 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.142 -8.356 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.056 -7.147 -1.220 1.00 0.00 H new ATOM 534 N VAL A 36 -2.381 -7.753 -2.219 1.00 0.00 N ATOM 535 CA VAL A 36 -3.725 -7.297 -2.501 1.00 0.00 C ATOM 536 C VAL A 36 -4.463 -8.357 -3.306 1.00 0.00 C ATOM 537 O VAL A 36 -5.687 -8.356 -3.379 1.00 0.00 O ATOM 538 CB VAL A 36 -3.677 -5.960 -3.270 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.055 -5.341 -3.369 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.700 -4.988 -2.615 1.00 0.00 C ATOM 0 H VAL A 36 -1.655 -7.193 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.259 -7.134 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.324 -6.170 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.993 -4.400 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.723 -6.023 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.443 -5.154 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.685 -4.054 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.015 -4.791 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.701 -5.424 -2.610 1.00 0.00 H new ATOM 550 N GLN A 37 -3.699 -9.255 -3.912 1.00 0.00 N ATOM 551 CA GLN A 37 -4.242 -10.479 -4.475 1.00 0.00 C ATOM 552 C GLN A 37 -4.941 -11.304 -3.392 1.00 0.00 C ATOM 553 O GLN A 37 -6.098 -11.695 -3.554 1.00 0.00 O ATOM 554 CB GLN A 37 -3.114 -11.287 -5.106 1.00 0.00 C ATOM 555 CG GLN A 37 -3.188 -11.351 -6.623 1.00 0.00 C ATOM 556 CD GLN A 37 -1.980 -12.025 -7.238 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.951 -13.242 -7.414 1.00 0.00 O ATOM 558 NE2 GLN A 37 -0.975 -11.237 -7.579 1.00 0.00 N ATOM 0 H GLN A 37 -2.690 -9.155 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.978 -10.225 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.159 -10.851 -4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.136 -12.301 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.089 -11.890 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.277 -10.340 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.037 -10.232 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.137 -11.634 -8.005 1.00 0.00 H new ATOM 567 N GLN A 38 -4.225 -11.556 -2.290 1.00 0.00 N ATOM 568 CA GLN A 38 -4.782 -12.283 -1.138 1.00 0.00 C ATOM 569 C GLN A 38 -6.049 -11.622 -0.628 1.00 0.00 C ATOM 570 O GLN A 38 -7.131 -12.204 -0.666 1.00 0.00 O ATOM 571 CB GLN A 38 -3.792 -12.319 0.024 1.00 0.00 C ATOM 572 CG GLN A 38 -2.454 -12.904 -0.316 1.00 0.00 C ATOM 573 CD GLN A 38 -1.405 -12.331 0.587 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.456 -13.015 0.955 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.574 -11.043 0.931 1.00 0.00 N ATOM 0 H GLN A 38 -3.254 -11.267 -2.170 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.996 -13.293 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.647 -11.304 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.229 -12.895 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.484 -13.989 -0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.207 -12.691 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.386 -10.527 0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.890 -10.581 1.531 1.00 0.00 H new ATOM 584 N LEU A 39 -5.890 -10.398 -0.139 1.00 0.00 N ATOM 585 CA LEU A 39 -6.993 -9.657 0.467 1.00 0.00 C ATOM 586 C LEU A 39 -8.081 -9.424 -0.551 1.00 0.00 C ATOM 587 O LEU A 39 -9.261 -9.305 -0.220 1.00 0.00 O ATOM 588 CB LEU A 39 -6.518 -8.308 1.000 1.00 0.00 C ATOM 589 CG LEU A 39 -5.055 -7.979 0.722 1.00 0.00 C ATOM 590 CD1 LEU A 39 -4.826 -6.488 0.809 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.152 -8.692 1.710 1.00 0.00 C ATOM 0 H LEU A 39 -5.003 -9.894 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.379 -10.251 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.139 -7.525 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.681 -8.283 2.077 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.815 -8.319 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.777 -6.269 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.450 -5.980 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.085 -6.138 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.112 -8.445 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.399 -8.375 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.295 -9.769 1.622 1.00 0.00 H new ATOM 603 N ASN A 40 -7.637 -9.352 -1.798 1.00 0.00 N ATOM 604 CA ASN A 40 -8.510 -9.189 -2.945 1.00 0.00 C ATOM 605 C ASN A 40 -9.310 -7.903 -2.829 1.00 0.00 C ATOM 606 O ASN A 40 -10.468 -7.816 -3.234 1.00 0.00 O ATOM 607 CB ASN A 40 -9.396 -10.418 -3.068 1.00 0.00 C ATOM 608 CG ASN A 40 -10.092 -10.535 -4.412 1.00 0.00 C ATOM 609 OD1 ASN A 40 -9.592 -10.062 -5.433 1.00 0.00 O ATOM 610 ND2 ASN A 40 -11.237 -11.194 -4.423 1.00 0.00 N ATOM 0 H ASN A 40 -6.648 -9.406 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.920 -9.103 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.791 -11.309 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.148 -10.393 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.741 -11.326 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.617 -11.570 -3.555 1.00 0.00 H new ATOM 617 N CYS A 41 -8.649 -6.895 -2.283 1.00 0.00 N ATOM 618 CA CYS A 41 -9.210 -5.559 -2.164 1.00 0.00 C ATOM 619 C CYS A 41 -9.266 -4.878 -3.519 1.00 0.00 C ATOM 620 O CYS A 41 -9.804 -3.779 -3.635 1.00 0.00 O ATOM 621 CB CYS A 41 -8.350 -4.710 -1.232 1.00 0.00 C ATOM 622 SG CYS A 41 -8.597 -5.015 0.553 1.00 0.00 S ATOM 0 H CYS A 41 -7.704 -6.981 -1.908 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.219 -5.654 -1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.301 -4.885 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.552 -3.658 -1.435 1.00 0.00 H new ATOM 627 N LEU A 42 -8.679 -5.535 -4.524 1.00 0.00 N ATOM 628 CA LEU A 42 -8.529 -4.978 -5.865 1.00 0.00 C ATOM 629 C LEU A 42 -7.597 -3.772 -5.839 1.00 0.00 C ATOM 630 O LEU A 42 -6.476 -3.828 -6.345 1.00 0.00 O ATOM 631 CB LEU A 42 -9.887 -4.608 -6.473 1.00 0.00 C ATOM 632 CG LEU A 42 -9.828 -4.050 -7.898 1.00 0.00 C ATOM 633 CD1 LEU A 42 -9.246 -5.078 -8.855 1.00 0.00 C ATOM 634 CD2 LEU A 42 -11.210 -3.611 -8.353 1.00 0.00 C ATOM 0 H LEU A 42 -8.293 -6.474 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.085 -5.745 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.522 -5.494 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.367 -3.871 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.173 -3.179 -7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.213 -4.661 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.237 -5.340 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.870 -5.972 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.151 -3.217 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.887 -4.465 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.584 -2.836 -7.684 1.00 0.00 H new ATOM 646 N ASN A 43 -8.043 -2.691 -5.219 1.00 0.00 N ATOM 647 CA ASN A 43 -7.232 -1.498 -5.128 1.00 0.00 C ATOM 648 C ASN A 43 -6.360 -1.568 -3.889 1.00 0.00 C ATOM 649 O ASN A 43 -6.731 -2.169 -2.877 1.00 0.00 O ATOM 650 CB ASN A 43 -8.099 -0.227 -5.146 1.00 0.00 C ATOM 651 CG ASN A 43 -8.789 0.131 -3.829 1.00 0.00 C ATOM 652 OD1 ASN A 43 -9.035 1.305 -3.571 1.00 0.00 O ATOM 653 ND2 ASN A 43 -9.089 -0.842 -2.981 1.00 0.00 N ATOM 0 H ASN A 43 -8.958 -2.620 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.584 -1.444 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.472 0.613 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.863 -0.343 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.535 -0.623 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.874 -1.810 -3.219 1.00 0.00 H new ATOM 660 N ARG A 44 -5.184 -0.978 -3.980 1.00 0.00 N ATOM 661 CA ARG A 44 -4.212 -1.064 -2.906 1.00 0.00 C ATOM 662 C ARG A 44 -4.582 -0.140 -1.751 1.00 0.00 C ATOM 663 O ARG A 44 -3.923 -0.149 -0.717 1.00 0.00 O ATOM 664 CB ARG A 44 -2.807 -0.733 -3.412 1.00 0.00 C ATOM 665 CG ARG A 44 -2.116 -1.852 -4.190 1.00 0.00 C ATOM 666 CD ARG A 44 -2.852 -2.226 -5.471 1.00 0.00 C ATOM 667 NE ARG A 44 -2.047 -3.103 -6.319 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.523 -4.155 -6.989 1.00 0.00 C ATOM 669 NH1 ARG A 44 -3.809 -4.482 -6.921 1.00 0.00 N ATOM 670 NH2 ARG A 44 -1.706 -4.880 -7.742 1.00 0.00 N ATOM 0 H ARG A 44 -4.878 -0.434 -4.786 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.219 -2.091 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.866 0.149 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.184 -0.467 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.101 -1.542 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.034 -2.733 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.790 -2.722 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.107 -1.321 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.052 -2.897 -6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.447 -3.926 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.158 -5.289 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.719 -4.633 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.065 -5.685 -8.256 1.00 0.00 H new ATOM 684 N ALA A 45 -5.636 0.651 -1.931 1.00 0.00 N ATOM 685 CA ALA A 45 -6.123 1.528 -0.871 1.00 0.00 C ATOM 686 C ALA A 45 -6.688 0.701 0.275 1.00 0.00 C ATOM 687 O ALA A 45 -6.254 0.829 1.415 1.00 0.00 O ATOM 688 CB ALA A 45 -7.179 2.481 -1.405 1.00 0.00 C ATOM 0 H ALA A 45 -6.168 0.703 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.286 2.119 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.529 3.126 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.749 3.093 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.018 1.909 -1.802 1.00 0.00 H new ATOM 694 N CYS A 46 -7.654 -0.158 -0.049 1.00 0.00 N ATOM 695 CA CYS A 46 -8.221 -1.100 0.918 1.00 0.00 C ATOM 696 C CYS A 46 -7.109 -1.912 1.567 1.00 0.00 C ATOM 697 O CYS A 46 -7.066 -2.083 2.788 1.00 0.00 O ATOM 698 CB CYS A 46 -9.210 -2.032 0.208 1.00 0.00 C ATOM 699 SG CYS A 46 -9.763 -3.470 1.190 1.00 0.00 S ATOM 0 H CYS A 46 -8.063 -0.221 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.748 -0.545 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.086 -1.452 -0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.748 -2.395 -0.710 1.00 0.00 H new ATOM 704 N ALA A 47 -6.205 -2.394 0.726 1.00 0.00 N ATOM 705 CA ALA A 47 -5.037 -3.137 1.179 1.00 0.00 C ATOM 706 C ALA A 47 -4.242 -2.372 2.235 1.00 0.00 C ATOM 707 O ALA A 47 -4.158 -2.788 3.399 1.00 0.00 O ATOM 708 CB ALA A 47 -4.148 -3.436 -0.010 1.00 0.00 C ATOM 0 H ALA A 47 -6.260 -2.282 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.385 -4.062 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.271 -3.992 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.701 -4.030 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.831 -2.501 -0.472 1.00 0.00 H new ATOM 714 N TYR A 48 -3.673 -1.248 1.817 1.00 0.00 N ATOM 715 CA TYR A 48 -2.825 -0.431 2.672 1.00 0.00 C ATOM 716 C TYR A 48 -3.586 0.032 3.914 1.00 0.00 C ATOM 717 O TYR A 48 -3.041 0.033 5.019 1.00 0.00 O ATOM 718 CB TYR A 48 -2.276 0.781 1.891 1.00 0.00 C ATOM 719 CG TYR A 48 -0.774 0.736 1.662 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.066 0.217 2.640 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.182 1.223 0.485 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.435 0.177 2.465 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.186 1.176 0.311 1.00 0.00 C ATOM 724 CZ TYR A 48 1.986 0.657 1.301 1.00 0.00 C ATOM 725 OH TYR A 48 3.349 0.631 1.133 1.00 0.00 O ATOM 0 H TYR A 48 -3.788 -0.878 0.874 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.984 -1.043 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.779 0.837 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.524 1.693 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.361 -0.163 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.805 1.639 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.070 -0.229 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.628 1.547 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 48 3.600 -0.165 0.619 1.00 0.00 H new ATOM 735 N ARG A 49 -4.854 0.381 3.733 1.00 0.00 N ATOM 736 CA ARG A 49 -5.671 0.899 4.822 1.00 0.00 C ATOM 737 C ARG A 49 -5.944 -0.160 5.889 1.00 0.00 C ATOM 738 O ARG A 49 -5.998 0.163 7.075 1.00 0.00 O ATOM 739 CB ARG A 49 -6.995 1.450 4.286 1.00 0.00 C ATOM 740 CG ARG A 49 -7.855 2.115 5.349 1.00 0.00 C ATOM 741 CD ARG A 49 -9.139 2.676 4.763 1.00 0.00 C ATOM 742 NE ARG A 49 -9.991 1.628 4.202 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.169 1.858 3.621 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.640 3.095 3.537 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.875 0.848 3.135 1.00 0.00 N ATOM 0 H ARG A 49 -5.340 0.314 2.839 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.106 1.705 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.785 2.172 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.560 0.636 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.096 1.391 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.291 2.918 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.687 3.212 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.896 3.400 3.985 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.665 0.663 4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.101 3.873 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.541 3.268 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.517 -0.105 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.776 1.023 2.690 1.00 0.00 H new ATOM 759 N LYS A 50 -6.088 -1.423 5.493 1.00 0.00 N ATOM 760 CA LYS A 50 -6.446 -2.451 6.449 1.00 0.00 C ATOM 761 C LYS A 50 -5.202 -2.884 7.193 1.00 0.00 C ATOM 762 O LYS A 50 -5.260 -3.197 8.378 1.00 0.00 O ATOM 763 CB LYS A 50 -7.126 -3.649 5.779 1.00 0.00 C ATOM 764 CG LYS A 50 -7.834 -4.552 6.783 1.00 0.00 C ATOM 765 CD LYS A 50 -8.620 -5.661 6.102 1.00 0.00 C ATOM 766 CE LYS A 50 -9.250 -6.598 7.120 1.00 0.00 C ATOM 767 NZ LYS A 50 -8.226 -7.289 7.952 1.00 0.00 N ATOM 0 H LYS A 50 -5.964 -1.748 4.534 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.170 -2.036 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.848 -3.290 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.380 -4.229 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.098 -4.991 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.509 -3.953 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.398 -5.226 5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.960 -6.226 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.921 -6.032 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.857 -7.340 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.397 -8.315 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.278 -7.089 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.287 -6.947 8.932 1.00 0.00 H new ATOM 781 N MET A 51 -4.070 -2.866 6.495 1.00 0.00 N ATOM 782 CA MET A 51 -2.784 -3.143 7.119 1.00 0.00 C ATOM 783 C MET A 51 -2.444 -2.028 8.101 1.00 0.00 C ATOM 784 O MET A 51 -1.903 -2.272 9.178 1.00 0.00 O ATOM 785 CB MET A 51 -1.695 -3.284 6.044 1.00 0.00 C ATOM 786 CG MET A 51 -0.316 -3.666 6.579 1.00 0.00 C ATOM 787 SD MET A 51 0.604 -2.268 7.257 1.00 0.00 S ATOM 788 CE MET A 51 0.734 -1.217 5.812 1.00 0.00 C ATOM 0 H MET A 51 -4.019 -2.662 5.497 1.00 0.00 H new ATOM 0 HA MET A 51 -2.839 -4.083 7.667 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.011 -4.037 5.322 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.612 -2.341 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.432 -4.424 7.353 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.265 -4.118 5.775 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.748 -0.823 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.505 -1.797 4.918 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.028 -0.391 5.898 1.00 0.00 H new ATOM 798 N CYS A 52 -2.785 -0.806 7.721 1.00 0.00 N ATOM 799 CA CYS A 52 -2.561 0.362 8.559 1.00 0.00 C ATOM 800 C CYS A 52 -3.490 0.347 9.778 1.00 0.00 C ATOM 801 O CYS A 52 -3.093 0.733 10.881 1.00 0.00 O ATOM 802 CB CYS A 52 -2.779 1.623 7.721 1.00 0.00 C ATOM 803 SG CYS A 52 -2.516 3.194 8.597 1.00 0.00 S ATOM 0 H CYS A 52 -3.224 -0.596 6.825 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.537 0.349 8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.109 1.589 6.862 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.797 1.609 7.332 1.00 0.00 H new ATOM 808 N ALA A 53 -4.722 -0.112 9.571 1.00 0.00 N ATOM 809 CA ALA A 53 -5.689 -0.236 10.655 1.00 0.00 C ATOM 810 C ALA A 53 -5.273 -1.337 11.620 1.00 0.00 C ATOM 811 O ALA A 53 -5.286 -1.149 12.836 1.00 0.00 O ATOM 812 CB ALA A 53 -7.075 -0.518 10.095 1.00 0.00 C ATOM 0 H ALA A 53 -5.073 -0.405 8.659 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.718 0.707 11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.787 -0.608 10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.377 0.300 9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.056 -1.448 9.527 1.00 0.00 H new ATOM 818 N THR A 54 -4.910 -2.482 11.066 1.00 0.00 N ATOM 819 CA THR A 54 -4.427 -3.599 11.857 1.00 0.00 C ATOM 820 C THR A 54 -3.475 -4.463 11.031 1.00 0.00 C ATOM 821 O THR A 54 -2.311 -4.633 11.405 1.00 0.00 O ATOM 822 CB THR A 54 -5.597 -4.448 12.436 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.106 -5.673 12.995 1.00 0.00 O ATOM 824 CG2 THR A 54 -6.664 -4.760 11.389 1.00 0.00 C ATOM 0 H THR A 54 -4.942 -2.662 10.062 1.00 0.00 H new ATOM 0 HA THR A 54 -3.878 -3.193 12.707 1.00 0.00 H new ATOM 0 HB THR A 54 -6.060 -3.846 13.218 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.921 -6.310 12.274 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.457 -5.354 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.082 -3.829 11.006 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.216 -5.321 10.569 1.00 0.00 H new ATOM 832 N ASN A 55 -3.962 -4.950 9.889 1.00 0.00 N ATOM 833 CA ASN A 55 -3.205 -5.815 8.999 1.00 0.00 C ATOM 834 C ASN A 55 -4.128 -6.394 7.942 1.00 0.00 C ATOM 835 O ASN A 55 -5.354 -6.373 8.097 1.00 0.00 O ATOM 836 CB ASN A 55 -2.506 -6.958 9.758 1.00 0.00 C ATOM 837 CG ASN A 55 -3.481 -7.912 10.434 1.00 0.00 C ATOM 838 OD1 ASN A 55 -4.568 -7.519 10.864 1.00 0.00 O ATOM 839 ND2 ASN A 55 -3.097 -9.172 10.539 1.00 0.00 N ATOM 0 H ASN A 55 -4.905 -4.749 9.557 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.431 -5.208 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.882 -7.519 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.842 -6.533 10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.707 -9.855 10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.191 -9.461 10.172 1.00 0.00 H new ATOM 846 N ASN A 56 -3.523 -6.906 6.876 1.00 0.00 N ATOM 847 CA ASN A 56 -4.245 -7.404 5.713 1.00 0.00 C ATOM 848 C ASN A 56 -3.260 -7.601 4.582 1.00 0.00 C ATOM 849 O ASN A 56 -2.839 -8.716 4.279 1.00 0.00 O ATOM 850 CB ASN A 56 -5.322 -6.411 5.256 1.00 0.00 C ATOM 851 CG ASN A 56 -6.242 -6.991 4.199 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.440 -8.202 4.133 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.834 -6.127 3.386 1.00 0.00 N ATOM 0 H ASN A 56 -2.509 -6.987 6.795 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.731 -8.342 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.914 -6.102 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.841 -5.516 4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.482 -6.460 2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.642 -5.129 3.475 1.00 0.00 H new ATOM 860 N LEU A 57 -2.865 -6.471 4.006 1.00 0.00 N ATOM 861 CA LEU A 57 -1.945 -6.403 2.875 1.00 0.00 C ATOM 862 C LEU A 57 -0.610 -7.050 3.191 1.00 0.00 C ATOM 863 O LEU A 57 0.116 -7.454 2.292 1.00 0.00 O ATOM 864 CB LEU A 57 -1.753 -4.924 2.524 1.00 0.00 C ATOM 865 CG LEU A 57 -0.652 -4.589 1.522 1.00 0.00 C ATOM 866 CD1 LEU A 57 -1.000 -5.117 0.154 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.428 -3.088 1.465 1.00 0.00 C ATOM 0 H LEU A 57 -3.183 -5.554 4.320 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.364 -6.953 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.696 -4.543 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.549 -4.380 3.446 1.00 0.00 H new ATOM 0 HG LEU A 57 0.270 -5.068 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.202 -4.868 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.117 -6.200 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.933 -4.666 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.360 -2.865 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.350 -2.594 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.133 -2.726 2.450 1.00 0.00 H new ATOM 879 N GLU A 58 -0.326 -7.212 4.465 1.00 0.00 N ATOM 880 CA GLU A 58 1.009 -7.564 4.894 1.00 0.00 C ATOM 881 C GLU A 58 1.379 -8.980 4.498 1.00 0.00 C ATOM 882 O GLU A 58 2.541 -9.256 4.275 1.00 0.00 O ATOM 883 CB GLU A 58 1.203 -7.324 6.404 1.00 0.00 C ATOM 884 CG GLU A 58 0.020 -7.690 7.303 1.00 0.00 C ATOM 885 CD GLU A 58 -0.366 -9.152 7.252 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.401 -9.995 7.763 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.450 -9.453 6.722 1.00 0.00 O ATOM 0 H GLU A 58 -1.002 -7.105 5.221 1.00 0.00 H new ATOM 0 HA GLU A 58 1.696 -6.900 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.072 -7.894 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.436 -6.270 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.264 -7.425 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.841 -7.088 7.015 1.00 0.00 H new ATOM 894 N GLN A 59 0.385 -9.843 4.354 1.00 0.00 N ATOM 895 CA GLN A 59 0.618 -11.256 4.067 1.00 0.00 C ATOM 896 C GLN A 59 1.693 -11.487 2.982 1.00 0.00 C ATOM 897 O GLN A 59 2.827 -11.887 3.281 1.00 0.00 O ATOM 898 CB GLN A 59 -0.699 -11.896 3.666 1.00 0.00 C ATOM 899 CG GLN A 59 -1.710 -11.973 4.795 1.00 0.00 C ATOM 900 CD GLN A 59 -3.091 -12.350 4.308 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.436 -13.527 4.224 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.896 -11.348 3.987 1.00 0.00 N ATOM 0 H GLN A 59 -0.600 -9.590 4.431 1.00 0.00 H new ATOM 0 HA GLN A 59 1.007 -11.722 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.131 -11.330 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.505 -12.902 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.375 -12.705 5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.757 -11.010 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.570 -10.385 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.841 -11.539 3.656 1.00 0.00 H new ATOM 911 N ALA A 60 1.379 -11.135 1.748 1.00 0.00 N ATOM 912 CA ALA A 60 2.258 -11.443 0.627 1.00 0.00 C ATOM 913 C ALA A 60 3.368 -10.433 0.521 1.00 0.00 C ATOM 914 O ALA A 60 4.535 -10.796 0.427 1.00 0.00 O ATOM 915 CB ALA A 60 1.476 -11.476 -0.662 1.00 0.00 C ATOM 0 H ALA A 60 0.526 -10.637 1.494 1.00 0.00 H new ATOM 0 HA ALA A 60 2.696 -12.425 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.147 -11.707 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.702 -12.241 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.013 -10.504 -0.832 1.00 0.00 H new ATOM 921 N MET A 61 2.990 -9.163 0.485 1.00 0.00 N ATOM 922 CA MET A 61 3.962 -8.079 0.493 1.00 0.00 C ATOM 923 C MET A 61 5.097 -8.313 1.511 1.00 0.00 C ATOM 924 O MET A 61 6.258 -8.156 1.157 1.00 0.00 O ATOM 925 CB MET A 61 3.268 -6.733 0.745 1.00 0.00 C ATOM 926 CG MET A 61 2.850 -6.498 2.183 1.00 0.00 C ATOM 927 SD MET A 61 2.395 -4.782 2.508 1.00 0.00 S ATOM 928 CE MET A 61 2.560 -4.696 4.288 1.00 0.00 C ATOM 0 H MET A 61 2.017 -8.858 0.450 1.00 0.00 H new ATOM 0 HA MET A 61 4.425 -8.056 -0.494 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.939 -5.930 0.440 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.385 -6.670 0.109 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.005 -7.144 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.667 -6.784 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.839 -3.683 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.611 -4.959 4.755 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.331 -5.393 4.616 1.00 0.00 H new ATOM 938 N SER A 62 4.783 -8.716 2.755 1.00 0.00 N ATOM 939 CA SER A 62 5.840 -8.921 3.765 1.00 0.00 C ATOM 940 C SER A 62 6.626 -10.195 3.463 1.00 0.00 C ATOM 941 O SER A 62 7.811 -10.285 3.775 1.00 0.00 O ATOM 942 CB SER A 62 5.289 -8.982 5.198 1.00 0.00 C ATOM 943 OG SER A 62 4.576 -10.184 5.439 1.00 0.00 O ATOM 0 H SER A 62 3.834 -8.902 3.081 1.00 0.00 H new ATOM 0 HA SER A 62 6.499 -8.055 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.112 -8.900 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.632 -8.129 5.371 1.00 0.00 H new ATOM 0 HG SER A 62 3.752 -10.187 4.909 1.00 0.00 H new ATOM 949 N VAL A 63 5.964 -11.199 2.881 1.00 0.00 N ATOM 950 CA VAL A 63 6.686 -12.367 2.376 1.00 0.00 C ATOM 951 C VAL A 63 7.668 -11.951 1.273 1.00 0.00 C ATOM 952 O VAL A 63 8.802 -12.433 1.219 1.00 0.00 O ATOM 953 CB VAL A 63 5.728 -13.455 1.836 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.500 -14.552 1.117 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.908 -14.053 2.965 1.00 0.00 C ATOM 0 H VAL A 63 4.953 -11.227 2.750 1.00 0.00 H new ATOM 0 HA VAL A 63 7.235 -12.792 3.216 1.00 0.00 H new ATOM 0 HB VAL A 63 5.053 -12.982 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.804 -15.304 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.048 -14.122 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.202 -15.017 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.240 -14.816 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.575 -14.503 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.319 -13.269 3.442 1.00 0.00 H new ATOM 965 N TYR A 64 7.224 -11.048 0.410 1.00 0.00 N ATOM 966 CA TYR A 64 8.036 -10.565 -0.703 1.00 0.00 C ATOM 967 C TYR A 64 9.143 -9.623 -0.236 1.00 0.00 C ATOM 968 O TYR A 64 10.314 -10.004 -0.201 1.00 0.00 O ATOM 969 CB TYR A 64 7.150 -9.859 -1.729 1.00 0.00 C ATOM 970 CG TYR A 64 6.913 -10.657 -2.990 1.00 0.00 C ATOM 971 CD1 TYR A 64 6.478 -11.974 -2.933 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.123 -10.087 -4.238 1.00 0.00 C ATOM 973 CE1 TYR A 64 6.263 -12.701 -4.087 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.907 -10.807 -5.396 1.00 0.00 C ATOM 975 CZ TYR A 64 6.477 -12.112 -5.315 1.00 0.00 C ATOM 976 OH TYR A 64 6.255 -12.829 -6.469 1.00 0.00 O ATOM 0 H TYR A 64 6.295 -10.630 0.459 1.00 0.00 H new ATOM 0 HA TYR A 64 8.512 -11.431 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.188 -9.633 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.608 -8.906 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.305 -12.437 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.461 -9.063 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.929 -13.726 -4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.074 -10.349 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 64 6.452 -12.266 -7.247 1.00 0.00 H new ATOM 986 N PHE A 65 8.774 -8.398 0.123 1.00 0.00 N ATOM 987 CA PHE A 65 9.752 -7.389 0.516 1.00 0.00 C ATOM 988 C PHE A 65 10.137 -7.588 1.977 1.00 0.00 C ATOM 989 O PHE A 65 9.495 -8.353 2.691 1.00 0.00 O ATOM 990 CB PHE A 65 9.194 -5.964 0.268 1.00 0.00 C ATOM 991 CG PHE A 65 7.933 -5.624 1.001 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.840 -5.759 2.378 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.843 -5.144 0.309 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.683 -5.430 3.041 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.685 -4.814 0.969 1.00 0.00 C ATOM 996 CZ PHE A 65 5.606 -4.958 2.336 1.00 0.00 C ATOM 0 H PHE A 65 7.805 -8.080 0.150 1.00 0.00 H new ATOM 0 HA PHE A 65 10.648 -7.501 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.960 -5.240 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.015 -5.845 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.688 -6.127 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.900 -5.026 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.622 -5.543 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.836 -4.441 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.694 -4.699 2.854 1.00 0.00 H new ATOM 1006 N THR A 66 11.179 -6.914 2.422 1.00 0.00 N ATOM 1007 CA THR A 66 11.579 -7.007 3.810 1.00 0.00 C ATOM 1008 C THR A 66 11.173 -5.748 4.578 1.00 0.00 C ATOM 1009 O THR A 66 10.548 -4.845 4.013 1.00 0.00 O ATOM 1010 CB THR A 66 13.092 -7.256 3.941 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.823 -6.250 3.231 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.462 -8.630 3.408 1.00 0.00 C ATOM 0 H THR A 66 11.759 -6.302 1.848 1.00 0.00 H new ATOM 0 HA THR A 66 11.060 -7.860 4.247 1.00 0.00 H new ATOM 0 HB THR A 66 13.352 -7.211 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.161 -5.583 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.536 -8.783 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.930 -9.395 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.185 -8.699 2.356 1.00 0.00 H new ATOM 1020 N ASN A 67 11.543 -5.679 5.852 1.00 0.00 N ATOM 1021 CA ASN A 67 11.082 -4.606 6.734 1.00 0.00 C ATOM 1022 C ASN A 67 11.504 -3.224 6.234 1.00 0.00 C ATOM 1023 O ASN A 67 10.690 -2.304 6.186 1.00 0.00 O ATOM 1024 CB ASN A 67 11.592 -4.839 8.159 1.00 0.00 C ATOM 1025 CG ASN A 67 11.265 -3.689 9.096 1.00 0.00 C ATOM 1026 OD1 ASN A 67 10.183 -3.637 9.680 1.00 0.00 O ATOM 1027 ND2 ASN A 67 12.207 -2.773 9.268 1.00 0.00 N ATOM 0 H ASN A 67 12.162 -6.354 6.301 1.00 0.00 H new ATOM 0 HA ASN A 67 9.992 -4.628 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.154 -5.757 8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.672 -4.986 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.048 -1.990 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.091 -2.850 8.766 1.00 0.00 H new ATOM 1034 N GLU A 68 12.760 -3.083 5.824 1.00 0.00 N ATOM 1035 CA GLU A 68 13.263 -1.792 5.376 1.00 0.00 C ATOM 1036 C GLU A 68 12.660 -1.440 4.027 1.00 0.00 C ATOM 1037 O GLU A 68 12.455 -0.272 3.709 1.00 0.00 O ATOM 1038 CB GLU A 68 14.791 -1.797 5.288 1.00 0.00 C ATOM 1039 CG GLU A 68 15.359 -3.052 4.651 1.00 0.00 C ATOM 1040 CD GLU A 68 15.457 -4.203 5.620 1.00 0.00 C ATOM 1041 OE1 GLU A 68 16.335 -4.179 6.502 1.00 0.00 O ATOM 1042 OE2 GLU A 68 14.625 -5.124 5.516 1.00 0.00 O ATOM 0 H GLU A 68 13.442 -3.840 5.793 1.00 0.00 H new ATOM 0 HA GLU A 68 12.970 -1.038 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.116 -0.929 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.205 -1.689 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.731 -3.344 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.349 -2.835 4.250 1.00 0.00 H new ATOM 1049 N GLN A 69 12.352 -2.470 3.250 1.00 0.00 N ATOM 1050 CA GLN A 69 11.740 -2.292 1.947 1.00 0.00 C ATOM 1051 C GLN A 69 10.397 -1.598 2.095 1.00 0.00 C ATOM 1052 O GLN A 69 10.079 -0.674 1.351 1.00 0.00 O ATOM 1053 CB GLN A 69 11.551 -3.645 1.261 1.00 0.00 C ATOM 1054 CG GLN A 69 12.038 -3.680 -0.179 1.00 0.00 C ATOM 1055 CD GLN A 69 11.133 -2.918 -1.127 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.591 -2.332 -2.106 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.833 -2.951 -0.877 1.00 0.00 N ATOM 0 H GLN A 69 12.519 -3.443 3.505 1.00 0.00 H new ATOM 0 HA GLN A 69 12.397 -1.675 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.081 -4.408 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.493 -3.908 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.043 -3.260 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.110 -4.717 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.484 -3.446 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.181 -2.482 -1.505 1.00 0.00 H new ATOM 1066 N ILE A 70 9.614 -2.038 3.070 1.00 0.00 N ATOM 1067 CA ILE A 70 8.302 -1.463 3.288 1.00 0.00 C ATOM 1068 C ILE A 70 8.387 -0.215 4.165 1.00 0.00 C ATOM 1069 O ILE A 70 7.447 0.566 4.240 1.00 0.00 O ATOM 1070 CB ILE A 70 7.302 -2.504 3.851 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.899 -1.908 3.956 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.743 -3.076 5.190 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.420 -1.322 2.652 1.00 0.00 C ATOM 0 H ILE A 70 9.865 -2.786 3.716 1.00 0.00 H new ATOM 0 HA ILE A 70 7.913 -1.153 2.318 1.00 0.00 H new ATOM 0 HB ILE A 70 7.281 -3.333 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.203 -2.682 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.894 -1.133 4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.005 -3.800 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.708 -3.569 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.831 -2.270 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.418 -0.913 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.098 -0.528 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.397 -2.101 1.890 1.00 0.00 H new ATOM 1085 N LYS A 71 9.524 -0.017 4.806 1.00 0.00 N ATOM 1086 CA LYS A 71 9.825 1.258 5.441 1.00 0.00 C ATOM 1087 C LYS A 71 9.860 2.330 4.353 1.00 0.00 C ATOM 1088 O LYS A 71 9.218 3.395 4.463 1.00 0.00 O ATOM 1089 CB LYS A 71 11.164 1.152 6.178 1.00 0.00 C ATOM 1090 CG LYS A 71 11.475 2.299 7.127 1.00 0.00 C ATOM 1091 CD LYS A 71 12.463 1.849 8.192 1.00 0.00 C ATOM 1092 CE LYS A 71 12.813 2.964 9.161 1.00 0.00 C ATOM 1093 NZ LYS A 71 13.935 3.807 8.671 1.00 0.00 N ATOM 0 H LYS A 71 10.256 -0.721 4.902 1.00 0.00 H new ATOM 0 HA LYS A 71 9.065 1.526 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.176 0.220 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.963 1.087 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.888 3.139 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.557 2.650 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.041 1.010 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.373 1.489 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.935 3.590 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.080 2.533 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.825 4.776 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.837 3.413 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.929 3.823 7.631 1.00 0.00 H new ATOM 1107 N GLU A 72 10.569 2.003 3.270 1.00 0.00 N ATOM 1108 CA GLU A 72 10.572 2.828 2.077 1.00 0.00 C ATOM 1109 C GLU A 72 9.158 3.021 1.552 1.00 0.00 C ATOM 1110 O GLU A 72 8.686 4.145 1.491 1.00 0.00 O ATOM 1111 CB GLU A 72 11.448 2.233 0.970 1.00 0.00 C ATOM 1112 CG GLU A 72 12.882 2.740 0.961 1.00 0.00 C ATOM 1113 CD GLU A 72 13.743 2.119 2.037 1.00 0.00 C ATOM 1114 OE1 GLU A 72 14.301 1.029 1.794 1.00 0.00 O ATOM 1115 OE2 GLU A 72 13.888 2.723 3.117 1.00 0.00 O ATOM 0 H GLU A 72 11.149 1.167 3.203 1.00 0.00 H new ATOM 0 HA GLU A 72 10.991 3.793 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.460 1.148 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.992 2.453 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.326 2.535 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.878 3.823 1.088 1.00 0.00 H new ATOM 1122 N ILE A 73 8.463 1.928 1.201 1.00 0.00 N ATOM 1123 CA ILE A 73 7.123 2.049 0.606 1.00 0.00 C ATOM 1124 C ILE A 73 6.125 2.656 1.592 1.00 0.00 C ATOM 1125 O ILE A 73 5.035 3.053 1.201 1.00 0.00 O ATOM 1126 CB ILE A 73 6.528 0.719 0.074 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.605 -0.315 -0.206 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.744 0.989 -1.196 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.069 -1.664 -0.614 1.00 0.00 C ATOM 0 H ILE A 73 8.797 0.971 1.315 1.00 0.00 H new ATOM 0 HA ILE A 73 7.275 2.706 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 73 5.873 0.315 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.257 0.059 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.220 -0.434 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.325 0.055 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.936 1.689 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.406 1.417 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.900 -2.346 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.441 -2.062 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.478 -1.561 -1.524 1.00 0.00 H new ATOM 1141 N HIS A 74 6.484 2.716 2.867 1.00 0.00 N ATOM 1142 CA HIS A 74 5.653 3.407 3.844 1.00 0.00 C ATOM 1143 C HIS A 74 5.693 4.903 3.589 1.00 0.00 C ATOM 1144 O HIS A 74 4.655 5.530 3.378 1.00 0.00 O ATOM 1145 CB HIS A 74 6.091 3.108 5.276 1.00 0.00 C ATOM 1146 CG HIS A 74 5.296 2.024 5.933 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.861 1.031 6.696 1.00 0.00 N ATOM 1148 CD2 HIS A 74 3.963 1.803 5.960 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.915 0.244 7.162 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.747 0.690 6.734 1.00 0.00 N ATOM 0 H HIS A 74 7.335 2.300 3.246 1.00 0.00 H new ATOM 0 HA HIS A 74 4.632 3.043 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.143 2.824 5.273 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.008 4.018 5.870 1.00 0.00 H new ATOM 0 HD1 HIS A 74 6.859 0.921 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.207 2.393 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.068 -0.622 7.789 1.00 0.00 H new ATOM 1159 N ASP A 75 6.894 5.473 3.572 1.00 0.00 N ATOM 1160 CA ASP A 75 7.037 6.891 3.288 1.00 0.00 C ATOM 1161 C ASP A 75 6.702 7.132 1.827 1.00 0.00 C ATOM 1162 O ASP A 75 6.108 8.138 1.453 1.00 0.00 O ATOM 1163 CB ASP A 75 8.463 7.348 3.585 1.00 0.00 C ATOM 1164 CG ASP A 75 8.641 8.844 3.446 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.960 9.303 2.343 1.00 0.00 O ATOM 1166 OD2 ASP A 75 8.496 9.559 4.462 1.00 0.00 O ATOM 0 H ASP A 75 7.769 4.980 3.749 1.00 0.00 H new ATOM 0 HA ASP A 75 6.358 7.463 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.732 7.047 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.151 6.841 2.908 1.00 0.00 H new ATOM 1171 N ALA A 76 7.048 6.148 1.020 1.00 0.00 N ATOM 1172 CA ALA A 76 6.846 6.199 -0.410 1.00 0.00 C ATOM 1173 C ALA A 76 5.374 6.189 -0.789 1.00 0.00 C ATOM 1174 O ALA A 76 4.984 6.820 -1.743 1.00 0.00 O ATOM 1175 CB ALA A 76 7.542 5.033 -1.067 1.00 0.00 C ATOM 0 H ALA A 76 7.481 5.283 1.344 1.00 0.00 H new ATOM 0 HA ALA A 76 7.270 7.140 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.386 5.077 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.610 5.079 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.134 4.100 -0.679 1.00 0.00 H new ATOM 1181 N ALA A 77 4.549 5.462 -0.074 1.00 0.00 N ATOM 1182 CA ALA A 77 3.155 5.374 -0.468 1.00 0.00 C ATOM 1183 C ALA A 77 2.290 6.374 0.280 1.00 0.00 C ATOM 1184 O ALA A 77 1.194 6.708 -0.162 1.00 0.00 O ATOM 1185 CB ALA A 77 2.641 3.965 -0.307 1.00 0.00 C ATOM 0 H ALA A 77 4.804 4.935 0.761 1.00 0.00 H new ATOM 0 HA ALA A 77 3.094 5.635 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.594 3.923 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.226 3.291 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.731 3.662 0.736 1.00 0.00 H new ATOM 1191 N THR A 78 2.782 6.867 1.402 1.00 0.00 N ATOM 1192 CA THR A 78 2.081 7.911 2.124 1.00 0.00 C ATOM 1193 C THR A 78 2.443 9.273 1.543 1.00 0.00 C ATOM 1194 O THR A 78 1.573 10.071 1.197 1.00 0.00 O ATOM 1195 CB THR A 78 2.414 7.870 3.628 1.00 0.00 C ATOM 1196 OG1 THR A 78 1.936 6.641 4.191 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.793 9.048 4.370 1.00 0.00 C ATOM 0 H THR A 78 3.657 6.564 1.830 1.00 0.00 H new ATOM 0 HA THR A 78 1.010 7.743 2.013 1.00 0.00 H new ATOM 0 HB THR A 78 3.497 7.935 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.963 6.591 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.048 8.987 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.177 9.981 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.709 9.019 4.256 1.00 0.00 H new ATOM 1205 N ALA A 79 3.738 9.515 1.417 1.00 0.00 N ATOM 1206 CA ALA A 79 4.237 10.781 0.914 1.00 0.00 C ATOM 1207 C ALA A 79 4.560 10.718 -0.567 1.00 0.00 C ATOM 1208 O ALA A 79 4.929 11.729 -1.161 1.00 0.00 O ATOM 1209 CB ALA A 79 5.480 11.183 1.676 1.00 0.00 C ATOM 0 H ALA A 79 4.467 8.844 1.659 1.00 0.00 H new ATOM 0 HA ALA A 79 3.449 11.520 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.850 12.134 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.241 11.286 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.247 10.419 1.550 1.00 0.00 H new ATOM 1215 N CYS A 80 4.439 9.519 -1.151 1.00 0.00 N ATOM 1216 CA CYS A 80 4.876 9.265 -2.516 1.00 0.00 C ATOM 1217 C CYS A 80 6.325 9.684 -2.693 1.00 0.00 C ATOM 1218 O CYS A 80 6.727 10.268 -3.697 1.00 0.00 O ATOM 1219 CB CYS A 80 3.907 9.813 -3.576 1.00 0.00 C ATOM 1220 SG CYS A 80 3.005 11.343 -3.145 1.00 0.00 S ATOM 0 H CYS A 80 4.036 8.705 -0.687 1.00 0.00 H new ATOM 0 HA CYS A 80 4.845 8.190 -2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.470 9.996 -4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.175 9.038 -3.802 1.00 0.00 H new ATOM 1225 N ASP A 81 7.102 9.316 -1.673 1.00 0.00 N ATOM 1226 CA ASP A 81 8.536 9.554 -1.618 1.00 0.00 C ATOM 1227 C ASP A 81 9.287 8.249 -1.382 1.00 0.00 C ATOM 1228 O ASP A 81 9.672 7.955 -0.254 1.00 0.00 O ATOM 1229 CB ASP A 81 8.877 10.500 -0.466 1.00 0.00 C ATOM 1230 CG ASP A 81 8.615 11.963 -0.778 1.00 0.00 C ATOM 1231 OD1 ASP A 81 9.191 12.473 -1.762 1.00 0.00 O ATOM 1232 OD2 ASP A 81 7.865 12.624 -0.025 1.00 0.00 O ATOM 0 H ASP A 81 6.741 8.836 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 81 8.832 9.993 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.295 10.215 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.928 10.376 -0.205 1.00 0.00 H new ATOM 1237 N PRO A 82 9.522 7.431 -2.417 1.00 0.00 N ATOM 1238 CA PRO A 82 10.307 6.213 -2.285 1.00 0.00 C ATOM 1239 C PRO A 82 11.790 6.535 -2.300 1.00 0.00 C ATOM 1240 O PRO A 82 12.644 5.650 -2.281 1.00 0.00 O ATOM 1241 CB PRO A 82 9.892 5.384 -3.503 1.00 0.00 C ATOM 1242 CG PRO A 82 8.787 6.161 -4.150 1.00 0.00 C ATOM 1243 CD PRO A 82 9.061 7.581 -3.791 1.00 0.00 C ATOM 0 HA PRO A 82 10.133 5.683 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.728 5.245 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.554 4.391 -3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.784 6.020 -5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.811 5.841 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.817 8.031 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.170 8.205 -3.862 1.00 0.00 H new ATOM 1251 N GLU A 83 12.071 7.832 -2.339 1.00 0.00 N ATOM 1252 CA GLU A 83 13.412 8.341 -2.103 1.00 0.00 C ATOM 1253 C GLU A 83 13.617 8.392 -0.599 1.00 0.00 C ATOM 1254 O GLU A 83 14.710 8.652 -0.093 1.00 0.00 O ATOM 1255 CB GLU A 83 13.576 9.739 -2.706 1.00 0.00 C ATOM 1256 CG GLU A 83 13.346 9.792 -4.206 1.00 0.00 C ATOM 1257 CD GLU A 83 14.354 8.966 -4.975 1.00 0.00 C ATOM 1258 OE1 GLU A 83 15.495 9.439 -5.164 1.00 0.00 O ATOM 1259 OE2 GLU A 83 14.007 7.843 -5.404 1.00 0.00 O ATOM 0 H GLU A 83 11.378 8.555 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 83 14.151 7.693 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.879 10.419 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.581 10.102 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.341 9.434 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.397 10.828 -4.542 1.00 0.00 H new ATOM 1266 N ALA A 84 12.499 8.143 0.080 1.00 0.00 N ATOM 1267 CA ALA A 84 12.403 8.060 1.522 1.00 0.00 C ATOM 1268 C ALA A 84 12.574 9.425 2.170 1.00 0.00 C ATOM 1269 O ALA A 84 13.682 9.822 2.533 1.00 0.00 O ATOM 1270 CB ALA A 84 13.392 7.049 2.087 1.00 0.00 C ATOM 0 H ALA A 84 11.604 7.989 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 84 11.400 7.707 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.294 7.011 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.184 6.064 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.407 7.347 1.825 1.00 0.00 H new ATOM 1276 N HIS A 85 11.465 10.134 2.319 1.00 0.00 N ATOM 1277 CA HIS A 85 11.473 11.488 2.852 1.00 0.00 C ATOM 1278 C HIS A 85 11.760 11.467 4.353 1.00 0.00 C ATOM 1279 O HIS A 85 12.773 11.998 4.807 1.00 0.00 O ATOM 1280 CB HIS A 85 10.123 12.161 2.578 1.00 0.00 C ATOM 1281 CG HIS A 85 10.190 13.649 2.465 1.00 0.00 C ATOM 1282 ND1 HIS A 85 9.671 14.340 1.392 1.00 0.00 N ATOM 1283 CD2 HIS A 85 10.700 14.580 3.297 1.00 0.00 C ATOM 1284 CE1 HIS A 85 9.862 15.633 1.572 1.00 0.00 C ATOM 1285 NE2 HIS A 85 10.483 15.803 2.721 1.00 0.00 N ATOM 0 H HIS A 85 10.537 9.788 2.075 1.00 0.00 H new ATOM 0 HA HIS A 85 12.261 12.058 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.709 11.756 1.654 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.431 11.900 3.379 1.00 0.00 H new ATOM 0 HD1 HIS A 85 9.211 13.918 0.585 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.189 14.395 4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 85 9.561 16.417 0.894 1.00 0.00 H new ATOM 1294 N HIS A 86 10.866 10.853 5.123 1.00 0.00 N ATOM 1295 CA HIS A 86 11.045 10.759 6.573 1.00 0.00 C ATOM 1296 C HIS A 86 10.838 9.331 7.076 1.00 0.00 C ATOM 1297 O HIS A 86 11.295 8.981 8.167 1.00 0.00 O ATOM 1298 CB HIS A 86 10.100 11.718 7.307 1.00 0.00 C ATOM 1299 CG HIS A 86 10.512 13.155 7.218 1.00 0.00 C ATOM 1300 ND1 HIS A 86 9.785 14.114 6.548 1.00 0.00 N ATOM 1301 CD2 HIS A 86 11.591 13.793 7.727 1.00 0.00 C ATOM 1302 CE1 HIS A 86 10.402 15.278 6.646 1.00 0.00 C ATOM 1303 NE2 HIS A 86 11.501 15.110 7.356 1.00 0.00 N ATOM 0 H HIS A 86 10.014 10.415 4.772 1.00 0.00 H new ATOM 0 HA HIS A 86 12.074 11.047 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.096 11.611 6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.047 11.429 8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.378 13.347 8.317 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.064 16.210 6.217 1.00 0.00 H new ATOM 0 HE2 HIS A 86 12.174 15.840 7.591 1.00 0.00 H new ATOM 1312 N GLU A 87 10.134 8.527 6.273 1.00 0.00 N ATOM 1313 CA GLU A 87 9.880 7.112 6.561 1.00 0.00 C ATOM 1314 C GLU A 87 8.838 6.948 7.662 1.00 0.00 C ATOM 1315 O GLU A 87 8.438 7.923 8.302 1.00 0.00 O ATOM 1316 CB GLU A 87 11.183 6.383 6.898 1.00 0.00 C ATOM 1317 CG GLU A 87 12.120 6.279 5.704 1.00 0.00 C ATOM 1318 CD GLU A 87 13.538 5.938 6.096 1.00 0.00 C ATOM 1319 OE1 GLU A 87 13.842 4.742 6.260 1.00 0.00 O ATOM 1320 OE2 GLU A 87 14.359 6.868 6.238 1.00 0.00 O ATOM 0 H GLU A 87 9.720 8.844 5.396 1.00 0.00 H new ATOM 0 HA GLU A 87 9.469 6.653 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.690 6.908 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.951 5.382 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.745 5.518 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.116 7.225 5.162 1.00 0.00 H new ATOM 1327 N HIS A 88 8.377 5.721 7.871 1.00 0.00 N ATOM 1328 CA HIS A 88 7.289 5.479 8.807 1.00 0.00 C ATOM 1329 C HIS A 88 7.598 4.301 9.723 1.00 0.00 C ATOM 1330 O HIS A 88 6.975 3.248 9.630 1.00 0.00 O ATOM 1331 CB HIS A 88 5.974 5.241 8.047 1.00 0.00 C ATOM 1332 CG HIS A 88 4.752 5.152 8.925 1.00 0.00 C ATOM 1333 ND1 HIS A 88 4.027 6.257 9.316 1.00 0.00 N ATOM 1334 CD2 HIS A 88 4.123 4.082 9.477 1.00 0.00 C ATOM 1335 CE1 HIS A 88 3.010 5.875 10.069 1.00 0.00 C ATOM 1336 NE2 HIS A 88 3.046 4.559 10.181 1.00 0.00 N ATOM 0 H HIS A 88 8.736 4.886 7.409 1.00 0.00 H new ATOM 0 HA HIS A 88 7.178 6.366 9.431 1.00 0.00 H new ATOM 0 HB2 HIS A 88 5.832 6.049 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 88 6.062 4.318 7.474 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.416 3.047 9.380 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.275 6.527 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 88 2.381 3.990 10.705 1.00 0.00 H new ATOM 1345 N ASP A 89 8.567 4.483 10.602 1.00 0.00 N ATOM 1346 CA ASP A 89 8.838 3.503 11.640 1.00 0.00 C ATOM 1347 C ASP A 89 8.176 3.951 12.933 1.00 0.00 C ATOM 1348 O ASP A 89 8.633 4.876 13.602 1.00 0.00 O ATOM 1349 CB ASP A 89 10.346 3.287 11.835 1.00 0.00 C ATOM 1350 CG ASP A 89 11.107 4.561 12.159 1.00 0.00 C ATOM 1351 OD1 ASP A 89 11.227 5.428 11.265 1.00 0.00 O ATOM 1352 OD2 ASP A 89 11.610 4.692 13.297 1.00 0.00 O ATOM 0 H ASP A 89 9.179 5.299 10.619 1.00 0.00 H new ATOM 0 HA ASP A 89 8.421 2.543 11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.500 2.567 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.761 2.846 10.929 1.00 0.00 H new ATOM 1357 N HIS A 90 7.070 3.313 13.260 1.00 0.00 N ATOM 1358 CA HIS A 90 6.288 3.707 14.414 1.00 0.00 C ATOM 1359 C HIS A 90 5.561 2.497 14.972 1.00 0.00 C ATOM 1360 O HIS A 90 4.432 2.215 14.522 1.00 0.00 O ATOM 1361 CB HIS A 90 5.291 4.802 14.024 1.00 0.00 C ATOM 1362 CG HIS A 90 4.736 5.560 15.190 1.00 0.00 C ATOM 1363 ND1 HIS A 90 3.554 5.236 15.811 1.00 0.00 N ATOM 1364 CD2 HIS A 90 5.206 6.656 15.828 1.00 0.00 C ATOM 1365 CE1 HIS A 90 3.316 6.101 16.778 1.00 0.00 C ATOM 1366 NE2 HIS A 90 4.304 6.973 16.810 1.00 0.00 N ATOM 1367 OXT HIS A 90 6.138 1.811 15.833 1.00 0.00 O ATOM 0 H HIS A 90 6.693 2.519 12.742 1.00 0.00 H new ATOM 0 HA HIS A 90 6.951 4.105 15.182 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.782 5.502 13.348 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.467 4.350 13.472 1.00 0.00 H new ATOM 0 HD2 HIS A 90 6.122 7.183 15.605 1.00 0.00 H new ATOM 0 HE1 HIS A 90 2.457 6.096 17.433 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.384 7.756 17.459 1.00 0.00 H new TER 1376 HIS A 90