USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 40 ASN : amide:sc= -3.84! K(o=-3.1!,f=0.12) USER MOD Set 1.2: A 41 THR OG1 : rot -16:sc= 0.771 USER MOD Single : A 10 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.026) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -171:sc= -3.45! USER MOD Single : A 24 HIS : no HD1:sc= -0.77 K(o=-0.77,f=-0.27) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -136:sc= -0.693 (180deg=-2.61!) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.265 USER MOD Single : A 56 LYS NZ :NH3+ -138:sc= -2.76! (180deg=-5.47!) USER MOD Single : A 62 HIS : no HD1:sc= -4.77 K(o=-4.8,f=-3.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.899 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -10.143 -14.079 -1.620 1.00 0.00 N ATOM 2 CA ARG A 9 -9.158 -13.036 -1.363 1.00 0.00 C ATOM 3 C ARG A 9 -9.659 -11.679 -1.846 1.00 0.00 C ATOM 4 O ARG A 9 -9.709 -10.717 -1.079 1.00 0.00 O ATOM 5 CB ARG A 9 -7.830 -13.379 -2.043 1.00 0.00 C ATOM 6 CG ARG A 9 -7.209 -14.673 -1.542 1.00 0.00 C ATOM 7 CD ARG A 9 -5.881 -14.955 -2.223 1.00 0.00 C ATOM 8 NE ARG A 9 -5.268 -16.189 -1.735 1.00 0.00 N ATOM 9 CZ ARG A 9 -4.097 -16.655 -2.162 1.00 0.00 C ATOM 10 NH1 ARG A 9 -3.408 -15.996 -3.086 1.00 0.00 N ATOM 11 NH2 ARG A 9 -3.613 -17.785 -1.666 1.00 0.00 N ATOM 0 HA ARG A 9 -9.001 -12.979 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.990 -13.455 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.127 -12.562 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.060 -14.613 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.895 -15.501 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.034 -15.027 -3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.201 -14.120 -2.052 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.767 -16.725 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.776 -15.127 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.511 -16.359 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.138 -18.297 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.715 -18.142 -1.993 1.00 0.00 H new ATOM 25 N HIS A 10 -10.033 -11.608 -3.122 1.00 0.00 N ATOM 26 CA HIS A 10 -10.535 -10.366 -3.703 1.00 0.00 C ATOM 27 C HIS A 10 -9.448 -9.295 -3.698 1.00 0.00 C ATOM 28 O HIS A 10 -8.800 -9.061 -2.677 1.00 0.00 O ATOM 29 CB HIS A 10 -11.758 -9.876 -2.920 1.00 0.00 C ATOM 30 CG HIS A 10 -12.448 -8.695 -3.533 1.00 0.00 C ATOM 31 ND1 HIS A 10 -13.498 -8.040 -2.923 1.00 0.00 N ATOM 32 CD2 HIS A 10 -12.243 -8.055 -4.709 1.00 0.00 C ATOM 33 CE1 HIS A 10 -13.908 -7.051 -3.696 1.00 0.00 C ATOM 34 NE2 HIS A 10 -13.163 -7.039 -4.785 1.00 0.00 N ATOM 0 H HIS A 10 -9.998 -12.394 -3.771 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.827 -10.559 -4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.472 -10.695 -2.834 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.447 -9.616 -1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -11.495 -8.299 -5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -14.715 -6.369 -3.475 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.256 -6.381 -5.559 1.00 0.00 H new ATOM 43 N GLU A 11 -9.248 -8.649 -4.846 1.00 0.00 N ATOM 44 CA GLU A 11 -8.236 -7.601 -4.975 1.00 0.00 C ATOM 45 C GLU A 11 -8.370 -6.561 -3.864 1.00 0.00 C ATOM 46 O GLU A 11 -9.199 -6.699 -2.966 1.00 0.00 O ATOM 47 CB GLU A 11 -8.352 -6.920 -6.341 1.00 0.00 C ATOM 48 CG GLU A 11 -8.196 -7.873 -7.516 1.00 0.00 C ATOM 49 CD GLU A 11 -6.841 -8.553 -7.542 1.00 0.00 C ATOM 50 OE1 GLU A 11 -6.524 -9.284 -6.580 1.00 0.00 O ATOM 51 OE2 GLU A 11 -6.096 -8.356 -8.525 1.00 0.00 O ATOM 0 H GLU A 11 -9.774 -8.833 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.256 -8.070 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.322 -6.428 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.593 -6.141 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.978 -8.631 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.340 -7.323 -8.446 1.00 0.00 H new ATOM 58 N LEU A 12 -7.551 -5.517 -3.935 1.00 0.00 N ATOM 59 CA LEU A 12 -7.585 -4.458 -2.930 1.00 0.00 C ATOM 60 C LEU A 12 -7.714 -3.084 -3.581 1.00 0.00 C ATOM 61 O LEU A 12 -7.240 -2.086 -3.037 1.00 0.00 O ATOM 62 CB LEU A 12 -6.331 -4.502 -2.052 1.00 0.00 C ATOM 63 CG LEU A 12 -5.012 -4.194 -2.769 1.00 0.00 C ATOM 64 CD1 LEU A 12 -3.869 -4.106 -1.766 1.00 0.00 C ATOM 65 CD2 LEU A 12 -4.713 -5.251 -3.822 1.00 0.00 C ATOM 0 H LEU A 12 -6.859 -5.381 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.461 -4.627 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.455 -3.791 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.258 -5.493 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.111 -3.230 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.940 -3.887 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.075 -3.313 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.773 -5.056 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.773 -5.013 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.635 -6.228 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.517 -5.270 -4.557 1.00 0.00 H new ATOM 77 N ILE A 13 -8.357 -3.037 -4.741 1.00 0.00 N ATOM 78 CA ILE A 13 -8.547 -1.780 -5.454 1.00 0.00 C ATOM 79 C ILE A 13 -9.743 -1.017 -4.893 1.00 0.00 C ATOM 80 O ILE A 13 -10.894 -1.351 -5.177 1.00 0.00 O ATOM 81 CB ILE A 13 -8.750 -2.012 -6.964 1.00 0.00 C ATOM 82 CG1 ILE A 13 -7.562 -2.779 -7.546 1.00 0.00 C ATOM 83 CG2 ILE A 13 -8.934 -0.685 -7.689 1.00 0.00 C ATOM 84 CD1 ILE A 13 -7.684 -3.048 -9.031 1.00 0.00 C ATOM 0 H ILE A 13 -8.755 -3.852 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.642 -1.189 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.652 -2.607 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.649 -2.213 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.460 -3.728 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.076 -0.869 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.808 -0.171 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.050 -0.065 -7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.806 -3.595 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.579 -3.641 -9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.755 -2.102 -9.568 1.00 0.00 H new ATOM 96 N GLY A 14 -9.463 0.007 -4.092 1.00 0.00 N ATOM 97 CA GLY A 14 -10.525 0.799 -3.501 1.00 0.00 C ATOM 98 C GLY A 14 -10.537 0.715 -1.986 1.00 0.00 C ATOM 99 O GLY A 14 -11.048 1.611 -1.312 1.00 0.00 O ATOM 0 H GLY A 14 -8.519 0.302 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.409 1.840 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.486 0.460 -3.888 1.00 0.00 H new ATOM 103 N LEU A 15 -9.974 -0.363 -1.449 1.00 0.00 N ATOM 104 CA LEU A 15 -9.920 -0.562 -0.004 1.00 0.00 C ATOM 105 C LEU A 15 -9.187 0.586 0.679 1.00 0.00 C ATOM 106 O LEU A 15 -8.500 1.372 0.027 1.00 0.00 O ATOM 107 CB LEU A 15 -9.209 -1.876 0.325 1.00 0.00 C ATOM 108 CG LEU A 15 -9.806 -3.125 -0.322 1.00 0.00 C ATOM 109 CD1 LEU A 15 -9.022 -4.359 0.094 1.00 0.00 C ATOM 110 CD2 LEU A 15 -11.273 -3.268 0.052 1.00 0.00 C ATOM 0 H LEU A 15 -9.548 -1.113 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.945 -0.597 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.166 -1.792 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.213 -2.011 1.407 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.739 -3.023 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.458 -5.242 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.984 -4.255 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.061 -4.466 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.683 -4.163 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.366 -3.351 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.823 -2.393 -0.293 1.00 0.00 H new ATOM 122 N SER A 16 -9.323 0.666 1.999 1.00 0.00 N ATOM 123 CA SER A 16 -8.653 1.706 2.769 1.00 0.00 C ATOM 124 C SER A 16 -7.278 1.217 3.206 1.00 0.00 C ATOM 125 O SER A 16 -7.084 0.025 3.436 1.00 0.00 O ATOM 126 CB SER A 16 -9.490 2.093 3.989 1.00 0.00 C ATOM 127 OG SER A 16 -10.771 2.560 3.602 1.00 0.00 O ATOM 0 H SER A 16 -9.889 0.025 2.555 1.00 0.00 H new ATOM 0 HA SER A 16 -8.535 2.589 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.597 1.232 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.974 2.867 4.557 1.00 0.00 H new ATOM 0 HG SER A 16 -11.287 2.799 4.400 1.00 0.00 H new ATOM 133 N VAL A 17 -6.320 2.130 3.302 1.00 0.00 N ATOM 134 CA VAL A 17 -4.968 1.763 3.697 1.00 0.00 C ATOM 135 C VAL A 17 -4.297 2.882 4.488 1.00 0.00 C ATOM 136 O VAL A 17 -4.381 4.053 4.121 1.00 0.00 O ATOM 137 CB VAL A 17 -4.116 1.407 2.463 1.00 0.00 C ATOM 138 CG1 VAL A 17 -4.124 2.548 1.458 1.00 0.00 C ATOM 139 CG2 VAL A 17 -2.694 1.048 2.871 1.00 0.00 C ATOM 0 H VAL A 17 -6.453 3.123 3.113 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.042 0.886 4.340 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.557 0.532 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.517 2.277 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.147 2.742 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.714 3.445 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.112 0.801 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.236 1.896 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.714 0.190 3.543 1.00 0.00 H new ATOM 149 N ARG A 18 -3.633 2.509 5.579 1.00 0.00 N ATOM 150 CA ARG A 18 -2.948 3.480 6.428 1.00 0.00 C ATOM 151 C ARG A 18 -1.466 3.143 6.563 1.00 0.00 C ATOM 152 O ARG A 18 -1.099 1.990 6.792 1.00 0.00 O ATOM 153 CB ARG A 18 -3.602 3.528 7.809 1.00 0.00 C ATOM 154 CG ARG A 18 -5.072 3.916 7.773 1.00 0.00 C ATOM 155 CD ARG A 18 -5.673 3.958 9.168 1.00 0.00 C ATOM 156 NE ARG A 18 -5.003 4.930 10.026 1.00 0.00 N ATOM 157 CZ ARG A 18 -5.341 5.160 11.292 1.00 0.00 C ATOM 158 NH1 ARG A 18 -6.340 4.489 11.851 1.00 0.00 N ATOM 159 NH2 ARG A 18 -4.678 6.063 12.003 1.00 0.00 N ATOM 0 H ARG A 18 -3.555 1.543 5.896 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.033 4.459 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.504 2.551 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.062 4.240 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.180 4.892 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.623 3.202 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.732 4.206 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.606 2.969 9.621 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.229 5.465 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.853 3.793 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.595 4.669 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.909 6.581 11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.938 6.239 12.974 1.00 0.00 H new ATOM 173 N ILE A 19 -0.619 4.158 6.415 1.00 0.00 N ATOM 174 CA ILE A 19 0.823 3.978 6.516 1.00 0.00 C ATOM 175 C ILE A 19 1.331 4.373 7.902 1.00 0.00 C ATOM 176 O ILE A 19 0.933 5.400 8.450 1.00 0.00 O ATOM 177 CB ILE A 19 1.569 4.810 5.445 1.00 0.00 C ATOM 178 CG1 ILE A 19 1.151 4.384 4.031 1.00 0.00 C ATOM 179 CG2 ILE A 19 3.079 4.678 5.607 1.00 0.00 C ATOM 180 CD1 ILE A 19 -0.322 4.608 3.720 1.00 0.00 C ATOM 0 H ILE A 19 -0.910 5.117 6.224 1.00 0.00 H new ATOM 0 HA ILE A 19 1.025 2.920 6.348 1.00 0.00 H new ATOM 0 HB ILE A 19 1.295 5.855 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.751 4.934 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.382 3.327 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.580 5.272 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.372 5.036 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.366 3.632 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.533 4.281 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.932 4.036 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.557 5.668 3.816 1.00 0.00 H new ATOM 192 N ALA A 20 2.223 3.555 8.455 1.00 0.00 N ATOM 193 CA ALA A 20 2.794 3.822 9.771 1.00 0.00 C ATOM 194 C ALA A 20 4.166 4.473 9.641 1.00 0.00 C ATOM 195 O ALA A 20 4.575 5.270 10.487 1.00 0.00 O ATOM 196 CB ALA A 20 2.889 2.537 10.581 1.00 0.00 C ATOM 0 H ALA A 20 2.565 2.702 8.012 1.00 0.00 H new ATOM 0 HA ALA A 20 2.135 4.514 10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.317 2.755 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.893 2.112 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.525 1.823 10.057 1.00 0.00 H new ATOM 202 N ARG A 21 4.862 4.133 8.567 1.00 0.00 N ATOM 203 CA ARG A 21 6.186 4.679 8.297 1.00 0.00 C ATOM 204 C ARG A 21 6.621 4.349 6.873 1.00 0.00 C ATOM 205 O ARG A 21 6.524 3.202 6.435 1.00 0.00 O ATOM 206 CB ARG A 21 7.209 4.143 9.302 1.00 0.00 C ATOM 207 CG ARG A 21 7.336 2.628 9.298 1.00 0.00 C ATOM 208 CD ARG A 21 8.372 2.156 10.306 1.00 0.00 C ATOM 209 NE ARG A 21 8.518 0.704 10.304 1.00 0.00 N ATOM 210 CZ ARG A 21 9.361 0.041 11.094 1.00 0.00 C ATOM 211 NH1 ARG A 21 10.131 0.699 11.953 1.00 0.00 N ATOM 212 NH2 ARG A 21 9.433 -1.281 11.027 1.00 0.00 N ATOM 0 H ARG A 21 4.529 3.476 7.862 1.00 0.00 H new ATOM 0 HA ARG A 21 6.134 5.763 8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.183 4.581 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.929 4.472 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.370 2.180 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.615 2.287 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.334 2.617 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.085 2.490 11.303 1.00 0.00 H new ATOM 0 HE ARG A 21 7.940 0.165 9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.078 1.716 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.775 0.187 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.843 -1.791 10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.079 -1.788 11.632 1.00 0.00 H new ATOM 226 N SER A 22 7.088 5.362 6.150 1.00 0.00 N ATOM 227 CA SER A 22 7.521 5.181 4.769 1.00 0.00 C ATOM 228 C SER A 22 8.918 5.749 4.541 1.00 0.00 C ATOM 229 O SER A 22 9.428 6.525 5.351 1.00 0.00 O ATOM 230 CB SER A 22 6.531 5.848 3.816 1.00 0.00 C ATOM 231 OG SER A 22 5.249 5.251 3.909 1.00 0.00 O ATOM 0 H SER A 22 7.176 6.317 6.498 1.00 0.00 H new ATOM 0 HA SER A 22 7.554 4.110 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.458 6.910 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.898 5.770 2.793 1.00 0.00 H new ATOM 0 HG SER A 22 4.675 5.597 3.194 1.00 0.00 H new ATOM 237 N VAL A 23 9.530 5.355 3.427 1.00 0.00 N ATOM 238 CA VAL A 23 10.869 5.817 3.074 1.00 0.00 C ATOM 239 C VAL A 23 10.959 7.342 3.102 1.00 0.00 C ATOM 240 O VAL A 23 11.905 7.905 3.655 1.00 0.00 O ATOM 241 CB VAL A 23 11.281 5.306 1.676 1.00 0.00 C ATOM 242 CG1 VAL A 23 10.275 5.749 0.623 1.00 0.00 C ATOM 243 CG2 VAL A 23 12.684 5.783 1.320 1.00 0.00 C ATOM 0 H VAL A 23 9.117 4.713 2.750 1.00 0.00 H new ATOM 0 HA VAL A 23 11.553 5.412 3.820 1.00 0.00 H new ATOM 0 HB VAL A 23 11.289 4.216 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.584 5.378 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.291 5.349 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.228 6.838 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.955 5.412 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.708 6.873 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.394 5.406 2.056 1.00 0.00 H new ATOM 253 N HIS A 24 9.976 8.005 2.501 1.00 0.00 N ATOM 254 CA HIS A 24 9.954 9.462 2.459 1.00 0.00 C ATOM 255 C HIS A 24 9.063 10.027 3.562 1.00 0.00 C ATOM 256 O HIS A 24 7.970 9.518 3.812 1.00 0.00 O ATOM 257 CB HIS A 24 9.470 9.949 1.092 1.00 0.00 C ATOM 258 CG HIS A 24 10.348 9.519 -0.040 1.00 0.00 C ATOM 259 ND1 HIS A 24 11.680 9.865 -0.135 1.00 0.00 N ATOM 260 CD2 HIS A 24 10.080 8.763 -1.133 1.00 0.00 C ATOM 261 CE1 HIS A 24 12.192 9.342 -1.235 1.00 0.00 C ATOM 262 NE2 HIS A 24 11.242 8.670 -1.857 1.00 0.00 N ATOM 0 H HIS A 24 9.186 7.557 2.037 1.00 0.00 H new ATOM 0 HA HIS A 24 10.971 9.819 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 24 8.460 9.577 0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 24 9.411 11.037 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.130 8.317 -1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 24 13.214 9.447 -1.568 1.00 0.00 H new ATOM 0 HE2 HIS A 24 11.353 8.163 -2.735 1.00 0.00 H new ATOM 271 N ARG A 25 9.540 11.079 4.219 1.00 0.00 N ATOM 272 CA ARG A 25 8.791 11.712 5.299 1.00 0.00 C ATOM 273 C ARG A 25 7.539 12.404 4.770 1.00 0.00 C ATOM 274 O ARG A 25 6.556 12.566 5.492 1.00 0.00 O ATOM 275 CB ARG A 25 9.672 12.721 6.037 1.00 0.00 C ATOM 276 CG ARG A 25 10.916 12.104 6.655 1.00 0.00 C ATOM 277 CD ARG A 25 11.759 13.148 7.371 1.00 0.00 C ATOM 278 NE ARG A 25 12.961 12.566 7.966 1.00 0.00 N ATOM 279 CZ ARG A 25 13.865 13.268 8.645 1.00 0.00 C ATOM 280 NH1 ARG A 25 13.709 14.575 8.818 1.00 0.00 N ATOM 281 NH2 ARG A 25 14.929 12.662 9.154 1.00 0.00 N ATOM 0 H ARG A 25 10.443 11.512 4.022 1.00 0.00 H new ATOM 0 HA ARG A 25 8.482 10.931 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.972 13.505 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.085 13.198 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.625 11.324 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.511 11.625 5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.045 13.929 6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.163 13.624 8.150 1.00 0.00 H new ATOM 0 HE ARG A 25 13.116 11.564 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.893 15.047 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.406 15.107 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.054 11.658 9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.622 13.200 9.674 1.00 0.00 H new ATOM 295 N ASP A 26 7.584 12.808 3.507 1.00 0.00 N ATOM 296 CA ASP A 26 6.452 13.482 2.881 1.00 0.00 C ATOM 297 C ASP A 26 5.233 12.569 2.831 1.00 0.00 C ATOM 298 O ASP A 26 4.093 13.034 2.800 1.00 0.00 O ATOM 299 CB ASP A 26 6.820 13.942 1.468 1.00 0.00 C ATOM 300 CG ASP A 26 7.984 14.913 1.463 1.00 0.00 C ATOM 301 OD1 ASP A 26 7.865 15.988 2.090 1.00 0.00 O ATOM 302 OD2 ASP A 26 9.016 14.599 0.833 1.00 0.00 O ATOM 0 H ASP A 26 8.391 12.681 2.896 1.00 0.00 H new ATOM 0 HA ASP A 26 6.204 14.355 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.072 13.073 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.954 14.415 1.005 1.00 0.00 H new ATOM 307 N ILE A 27 5.485 11.268 2.826 1.00 0.00 N ATOM 308 CA ILE A 27 4.426 10.278 2.784 1.00 0.00 C ATOM 309 C ILE A 27 4.352 9.487 4.090 1.00 0.00 C ATOM 310 O ILE A 27 3.339 8.855 4.387 1.00 0.00 O ATOM 311 CB ILE A 27 4.621 9.297 1.611 1.00 0.00 C ATOM 312 CG1 ILE A 27 5.970 8.584 1.741 1.00 0.00 C ATOM 313 CG2 ILE A 27 4.523 10.033 0.281 1.00 0.00 C ATOM 314 CD1 ILE A 27 6.272 7.640 0.596 1.00 0.00 C ATOM 0 H ILE A 27 6.425 10.873 2.851 1.00 0.00 H new ATOM 0 HA ILE A 27 3.492 10.822 2.643 1.00 0.00 H new ATOM 0 HB ILE A 27 3.830 8.548 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.761 9.331 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.986 8.024 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.663 9.326 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.541 10.499 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.295 10.801 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.243 7.172 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.502 6.870 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.289 8.198 -0.340 1.00 0.00 H new ATOM 326 N GLN A 28 5.434 9.526 4.863 1.00 0.00 N ATOM 327 CA GLN A 28 5.501 8.813 6.136 1.00 0.00 C ATOM 328 C GLN A 28 4.284 9.115 7.008 1.00 0.00 C ATOM 329 O GLN A 28 3.973 10.276 7.280 1.00 0.00 O ATOM 330 CB GLN A 28 6.783 9.194 6.880 1.00 0.00 C ATOM 331 CG GLN A 28 6.927 8.528 8.239 1.00 0.00 C ATOM 332 CD GLN A 28 8.192 8.946 8.962 1.00 0.00 C ATOM 333 OE1 GLN A 28 8.400 10.127 9.241 1.00 0.00 O ATOM 334 NE2 GLN A 28 9.046 7.977 9.270 1.00 0.00 N ATOM 0 H GLN A 28 6.280 10.046 4.629 1.00 0.00 H new ATOM 0 HA GLN A 28 5.507 7.744 5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.642 8.929 6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.807 10.276 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.062 8.776 8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.927 7.446 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.834 7.011 9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.914 8.198 9.757 1.00 0.00 H new ATOM 343 N GLY A 29 3.605 8.061 7.450 1.00 0.00 N ATOM 344 CA GLY A 29 2.437 8.227 8.294 1.00 0.00 C ATOM 345 C GLY A 29 1.209 8.679 7.527 1.00 0.00 C ATOM 346 O GLY A 29 0.249 9.170 8.119 1.00 0.00 O ATOM 0 H GLY A 29 3.844 7.092 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.219 7.283 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.660 8.955 9.074 1.00 0.00 H new ATOM 350 N ILE A 30 1.235 8.516 6.207 1.00 0.00 N ATOM 351 CA ILE A 30 0.110 8.915 5.374 1.00 0.00 C ATOM 352 C ILE A 30 -1.050 7.934 5.518 1.00 0.00 C ATOM 353 O ILE A 30 -0.858 6.782 5.906 1.00 0.00 O ATOM 354 CB ILE A 30 0.512 9.019 3.886 1.00 0.00 C ATOM 355 CG1 ILE A 30 -0.648 9.573 3.055 1.00 0.00 C ATOM 356 CG2 ILE A 30 0.951 7.663 3.348 1.00 0.00 C ATOM 357 CD1 ILE A 30 -0.305 9.764 1.590 1.00 0.00 C ATOM 0 H ILE A 30 2.020 8.112 5.695 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.206 9.900 5.718 1.00 0.00 H new ATOM 0 HB ILE A 30 1.354 9.706 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.498 8.896 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.961 10.529 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.229 7.761 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.808 7.305 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.130 6.952 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.173 10.159 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.525 10.464 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.021 8.806 1.155 1.00 0.00 H new ATOM 369 N SER A 31 -2.253 8.398 5.202 1.00 0.00 N ATOM 370 CA SER A 31 -3.447 7.564 5.288 1.00 0.00 C ATOM 371 C SER A 31 -4.395 7.882 4.138 1.00 0.00 C ATOM 372 O SER A 31 -4.581 9.046 3.782 1.00 0.00 O ATOM 373 CB SER A 31 -4.154 7.783 6.628 1.00 0.00 C ATOM 374 OG SER A 31 -4.548 9.136 6.784 1.00 0.00 O ATOM 0 H SER A 31 -2.428 9.351 4.883 1.00 0.00 H new ATOM 0 HA SER A 31 -3.146 6.519 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.030 7.137 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.489 7.499 7.444 1.00 0.00 H new ATOM 0 HG SER A 31 -4.999 9.248 7.647 1.00 0.00 H new ATOM 380 N GLY A 32 -4.992 6.846 3.554 1.00 0.00 N ATOM 381 CA GLY A 32 -5.902 7.060 2.447 1.00 0.00 C ATOM 382 C GLY A 32 -6.477 5.770 1.906 1.00 0.00 C ATOM 383 O GLY A 32 -6.450 4.741 2.577 1.00 0.00 O ATOM 0 H GLY A 32 -4.862 5.872 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.716 7.708 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.378 7.583 1.647 1.00 0.00 H new ATOM 387 N ARG A 33 -7.003 5.831 0.691 1.00 0.00 N ATOM 388 CA ARG A 33 -7.598 4.670 0.046 1.00 0.00 C ATOM 389 C ARG A 33 -6.668 4.051 -0.994 1.00 0.00 C ATOM 390 O ARG A 33 -5.589 4.549 -1.262 1.00 0.00 O ATOM 391 CB ARG A 33 -8.979 4.968 -0.505 1.00 0.00 C ATOM 392 CG ARG A 33 -10.013 5.117 0.595 1.00 0.00 C ATOM 393 CD ARG A 33 -11.438 5.107 0.061 1.00 0.00 C ATOM 394 NE ARG A 33 -12.421 5.199 1.138 1.00 0.00 N ATOM 395 CZ ARG A 33 -13.738 5.159 0.949 1.00 0.00 C ATOM 396 NH1 ARG A 33 -14.236 5.014 -0.273 1.00 0.00 N ATOM 397 NH2 ARG A 33 -14.559 5.259 1.985 1.00 0.00 N ATOM 0 H ARG A 33 -7.029 6.681 0.128 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.736 3.914 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.943 5.884 -1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.281 4.166 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.892 4.307 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.836 6.049 1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.574 5.941 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.607 4.193 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.077 5.300 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.609 4.933 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.246 4.984 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.181 5.367 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.568 5.228 1.841 1.00 0.00 H new ATOM 411 N VAL A 34 -7.067 2.910 -1.503 1.00 0.00 N ATOM 412 CA VAL A 34 -6.243 2.143 -2.445 1.00 0.00 C ATOM 413 C VAL A 34 -6.660 2.316 -3.898 1.00 0.00 C ATOM 414 O VAL A 34 -7.809 2.611 -4.188 1.00 0.00 O ATOM 415 CB VAL A 34 -6.269 0.642 -2.100 1.00 0.00 C ATOM 416 CG1 VAL A 34 -5.328 -0.139 -3.009 1.00 0.00 C ATOM 417 CG2 VAL A 34 -5.907 0.425 -0.638 1.00 0.00 C ATOM 0 H VAL A 34 -7.965 2.477 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.235 2.543 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.281 0.272 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.363 -1.196 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.636 -0.012 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.311 0.232 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.930 -0.641 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.906 0.814 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.625 0.946 -0.004 1.00 0.00 H new ATOM 427 N VAL A 35 -5.710 2.115 -4.810 1.00 0.00 N ATOM 428 CA VAL A 35 -5.994 2.202 -6.235 1.00 0.00 C ATOM 429 C VAL A 35 -5.313 1.056 -6.980 1.00 0.00 C ATOM 430 O VAL A 35 -5.930 0.382 -7.804 1.00 0.00 O ATOM 431 CB VAL A 35 -5.594 3.557 -6.860 1.00 0.00 C ATOM 432 CG1 VAL A 35 -4.130 3.620 -7.212 1.00 0.00 C ATOM 433 CG2 VAL A 35 -6.453 3.855 -8.079 1.00 0.00 C ATOM 0 H VAL A 35 -4.741 1.892 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.076 2.122 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.771 4.323 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.902 4.593 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.533 3.477 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.895 2.836 -7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.158 4.813 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.316 3.069 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.501 3.897 -7.784 1.00 0.00 H new ATOM 443 N ASP A 36 -4.030 0.846 -6.678 1.00 0.00 N ATOM 444 CA ASP A 36 -3.256 -0.212 -7.308 1.00 0.00 C ATOM 445 C ASP A 36 -2.046 -0.578 -6.451 1.00 0.00 C ATOM 446 O ASP A 36 -1.647 0.184 -5.572 1.00 0.00 O ATOM 447 CB ASP A 36 -2.804 0.222 -8.705 1.00 0.00 C ATOM 448 CG ASP A 36 -2.007 -0.853 -9.420 1.00 0.00 C ATOM 449 OD1 ASP A 36 -2.558 -1.952 -9.641 1.00 0.00 O ATOM 450 OD2 ASP A 36 -0.834 -0.596 -9.760 1.00 0.00 O ATOM 0 H ASP A 36 -3.509 1.400 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.891 -1.093 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.679 0.479 -9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.198 1.124 -8.623 1.00 0.00 H new ATOM 455 N GLU A 37 -1.466 -1.744 -6.714 1.00 0.00 N ATOM 456 CA GLU A 37 -0.300 -2.201 -5.967 1.00 0.00 C ATOM 457 C GLU A 37 0.827 -2.604 -6.912 1.00 0.00 C ATOM 458 O GLU A 37 0.608 -3.346 -7.871 1.00 0.00 O ATOM 459 CB GLU A 37 -0.674 -3.381 -5.067 1.00 0.00 C ATOM 460 CG GLU A 37 0.489 -3.913 -4.243 1.00 0.00 C ATOM 461 CD GLU A 37 0.092 -5.078 -3.359 1.00 0.00 C ATOM 462 OE1 GLU A 37 -0.796 -4.896 -2.500 1.00 0.00 O ATOM 463 OE2 GLU A 37 0.670 -6.172 -3.524 1.00 0.00 O ATOM 0 H GLU A 37 -1.784 -2.389 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 37 0.048 -1.376 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.474 -3.074 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.069 -4.187 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.290 -4.226 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.887 -3.110 -3.623 1.00 0.00 H new ATOM 470 N THR A 38 2.032 -2.111 -6.642 1.00 0.00 N ATOM 471 CA THR A 38 3.189 -2.423 -7.477 1.00 0.00 C ATOM 472 C THR A 38 4.306 -3.057 -6.652 1.00 0.00 C ATOM 473 O THR A 38 4.386 -2.857 -5.440 1.00 0.00 O ATOM 474 CB THR A 38 3.703 -1.163 -8.173 1.00 0.00 C ATOM 475 OG1 THR A 38 2.684 -0.572 -8.960 1.00 0.00 O ATOM 476 CG2 THR A 38 4.889 -1.419 -9.079 1.00 0.00 C ATOM 0 H THR A 38 2.233 -1.495 -5.854 1.00 0.00 H new ATOM 0 HA THR A 38 2.871 -3.140 -8.234 1.00 0.00 H new ATOM 0 HB THR A 38 4.017 -0.499 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.033 0.234 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.203 -0.483 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.712 -1.829 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.607 -2.130 -9.856 1.00 0.00 H new ATOM 484 N ARG A 39 5.165 -3.821 -7.322 1.00 0.00 N ATOM 485 CA ARG A 39 6.281 -4.498 -6.664 1.00 0.00 C ATOM 486 C ARG A 39 7.011 -3.581 -5.685 1.00 0.00 C ATOM 487 O ARG A 39 7.344 -3.988 -4.572 1.00 0.00 O ATOM 488 CB ARG A 39 7.269 -5.024 -7.708 1.00 0.00 C ATOM 489 CG ARG A 39 7.875 -3.933 -8.577 1.00 0.00 C ATOM 490 CD ARG A 39 8.885 -4.501 -9.561 1.00 0.00 C ATOM 491 NE ARG A 39 8.285 -5.484 -10.460 1.00 0.00 N ATOM 492 CZ ARG A 39 7.370 -5.190 -11.381 1.00 0.00 C ATOM 493 NH1 ARG A 39 6.975 -3.935 -11.561 1.00 0.00 N ATOM 494 NH2 ARG A 39 6.860 -6.154 -12.136 1.00 0.00 N ATOM 0 H ARG A 39 5.109 -3.988 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 39 5.865 -5.330 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.071 -5.559 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.760 -5.745 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.083 -3.419 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.360 -3.190 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.315 -3.689 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.704 -4.965 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 39 8.586 -6.455 -10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.373 -3.188 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.273 -3.718 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.169 -7.118 -12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.159 -5.931 -12.842 1.00 0.00 H new ATOM 508 N ASN A 40 7.265 -2.345 -6.105 1.00 0.00 N ATOM 509 CA ASN A 40 7.968 -1.387 -5.256 1.00 0.00 C ATOM 510 C ASN A 40 7.252 -0.040 -5.200 1.00 0.00 C ATOM 511 O ASN A 40 7.883 0.999 -5.017 1.00 0.00 O ATOM 512 CB ASN A 40 9.411 -1.196 -5.745 1.00 0.00 C ATOM 513 CG ASN A 40 9.530 -0.662 -7.173 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.640 -0.527 -7.689 1.00 0.00 O ATOM 515 ND2 ASN A 40 8.409 -0.349 -7.824 1.00 0.00 N ATOM 0 H ASN A 40 6.997 -1.985 -7.021 1.00 0.00 H new ATOM 0 HA ASN A 40 7.980 -1.797 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.922 -0.510 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.932 -2.151 -5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.456 0.013 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.504 -0.472 -7.370 1.00 0.00 H new ATOM 522 N THR A 41 5.932 -0.062 -5.353 1.00 0.00 N ATOM 523 CA THR A 41 5.149 1.168 -5.313 1.00 0.00 C ATOM 524 C THR A 41 3.696 0.883 -4.951 1.00 0.00 C ATOM 525 O THR A 41 3.059 0.005 -5.531 1.00 0.00 O ATOM 526 CB THR A 41 5.227 1.894 -6.658 1.00 0.00 C ATOM 527 OG1 THR A 41 6.570 2.207 -6.983 1.00 0.00 O ATOM 528 CG2 THR A 41 4.436 3.185 -6.690 1.00 0.00 C ATOM 0 H THR A 41 5.386 -0.910 -5.505 1.00 0.00 H new ATOM 0 HA THR A 41 5.571 1.810 -4.540 1.00 0.00 H new ATOM 0 HB THR A 41 4.795 1.203 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.127 2.133 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.535 3.648 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.385 2.973 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.818 3.865 -5.928 1.00 0.00 H new ATOM 536 N LEU A 42 3.177 1.639 -3.992 1.00 0.00 N ATOM 537 CA LEU A 42 1.797 1.477 -3.555 1.00 0.00 C ATOM 538 C LEU A 42 0.955 2.629 -4.078 1.00 0.00 C ATOM 539 O LEU A 42 1.274 3.794 -3.847 1.00 0.00 O ATOM 540 CB LEU A 42 1.722 1.420 -2.024 1.00 0.00 C ATOM 541 CG LEU A 42 0.379 0.968 -1.446 1.00 0.00 C ATOM 542 CD1 LEU A 42 -0.730 1.944 -1.818 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.037 -0.437 -1.928 1.00 0.00 C ATOM 0 H LEU A 42 3.692 2.371 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 42 1.409 0.540 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.498 0.744 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.953 2.409 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 42 0.466 0.952 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.674 1.600 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.493 2.932 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.817 1.999 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.921 -0.743 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.026 -0.443 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.813 -1.131 -1.605 1.00 0.00 H new ATOM 555 N ARG A 43 -0.116 2.306 -4.789 1.00 0.00 N ATOM 556 CA ARG A 43 -0.985 3.326 -5.342 1.00 0.00 C ATOM 557 C ARG A 43 -2.247 3.452 -4.474 1.00 0.00 C ATOM 558 O ARG A 43 -2.900 2.457 -4.160 1.00 0.00 O ATOM 559 CB ARG A 43 -1.301 2.975 -6.796 1.00 0.00 C ATOM 560 CG ARG A 43 -1.404 4.188 -7.709 1.00 0.00 C ATOM 561 CD ARG A 43 -0.032 4.780 -7.999 1.00 0.00 C ATOM 562 NE ARG A 43 0.841 3.819 -8.671 1.00 0.00 N ATOM 563 CZ ARG A 43 2.082 4.094 -9.072 1.00 0.00 C ATOM 564 NH1 ARG A 43 2.596 5.303 -8.885 1.00 0.00 N ATOM 565 NH2 ARG A 43 2.808 3.156 -9.665 1.00 0.00 N ATOM 0 H ARG A 43 -0.400 1.348 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.495 4.300 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.526 2.309 -7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.241 2.424 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.884 3.902 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.037 4.943 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.143 5.668 -8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.430 5.101 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 43 0.478 2.881 -8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.041 6.029 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.546 5.507 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.417 2.226 -9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.758 3.365 -9.973 1.00 0.00 H new ATOM 579 N ILE A 44 -2.534 4.682 -4.039 1.00 0.00 N ATOM 580 CA ILE A 44 -3.659 4.967 -3.134 1.00 0.00 C ATOM 581 C ILE A 44 -4.800 5.771 -3.772 1.00 0.00 C ATOM 582 O ILE A 44 -4.631 6.944 -4.091 1.00 0.00 O ATOM 583 CB ILE A 44 -3.112 5.758 -1.906 1.00 0.00 C ATOM 584 CG1 ILE A 44 -2.294 4.830 -1.007 1.00 0.00 C ATOM 585 CG2 ILE A 44 -4.203 6.465 -1.101 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.713 5.521 0.208 1.00 0.00 C ATOM 0 H ILE A 44 -1.997 5.508 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.086 4.004 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.472 6.546 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.927 4.006 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.482 4.395 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.751 6.995 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.724 7.177 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.913 5.728 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.146 4.802 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.054 6.328 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.521 5.932 0.814 1.00 0.00 H new ATOM 598 N GLU A 45 -5.987 5.161 -3.887 1.00 0.00 N ATOM 599 CA GLU A 45 -7.151 5.864 -4.408 1.00 0.00 C ATOM 600 C GLU A 45 -8.352 5.654 -3.498 1.00 0.00 C ATOM 601 O GLU A 45 -8.542 4.556 -2.915 1.00 0.00 O ATOM 602 CB GLU A 45 -7.515 5.445 -5.832 1.00 0.00 C ATOM 603 CG GLU A 45 -8.778 6.109 -6.360 1.00 0.00 C ATOM 604 CD GLU A 45 -9.124 5.662 -7.767 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.295 5.875 -8.678 1.00 0.00 O ATOM 606 OE2 GLU A 45 -10.223 5.101 -7.958 1.00 0.00 O ATOM 0 H GLU A 45 -6.159 4.190 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.882 6.920 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.684 5.685 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.644 4.363 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.610 5.880 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.648 7.191 -6.348 1.00 0.00 H new ATOM 613 N MET A 46 -9.147 6.726 -3.403 1.00 0.00 N ATOM 614 CA MET A 46 -10.368 6.750 -2.606 1.00 0.00 C ATOM 615 C MET A 46 -11.577 7.016 -3.497 1.00 0.00 C ATOM 616 O MET A 46 -11.537 7.886 -4.378 1.00 0.00 O ATOM 617 CB MET A 46 -10.271 7.801 -1.492 1.00 0.00 C ATOM 618 CG MET A 46 -9.899 9.188 -1.980 1.00 0.00 C ATOM 619 SD MET A 46 -8.649 9.969 -0.936 1.00 0.00 S ATOM 620 CE MET A 46 -7.255 8.877 -1.213 1.00 0.00 C ATOM 0 H MET A 46 -8.955 7.605 -3.883 1.00 0.00 H new ATOM 0 HA MET A 46 -10.493 5.774 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.228 7.855 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.531 7.474 -0.762 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.527 9.123 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.791 9.814 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.767 8.661 -0.262 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.605 7.947 -1.661 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.544 9.358 -1.885 1.00 0.00 H new ATOM 630 N ASP A 47 -12.642 6.245 -3.257 1.00 0.00 N ATOM 631 CA ASP A 47 -13.886 6.339 -4.026 1.00 0.00 C ATOM 632 C ASP A 47 -14.294 7.780 -4.298 1.00 0.00 C ATOM 633 O ASP A 47 -14.970 8.063 -5.287 1.00 0.00 O ATOM 634 CB ASP A 47 -15.013 5.610 -3.291 1.00 0.00 C ATOM 635 CG ASP A 47 -16.320 5.632 -4.062 1.00 0.00 C ATOM 636 OD1 ASP A 47 -16.346 5.118 -5.199 1.00 0.00 O ATOM 637 OD2 ASP A 47 -17.316 6.164 -3.526 1.00 0.00 O ATOM 0 H ASP A 47 -12.666 5.537 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.704 5.865 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.717 4.576 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.163 6.071 -2.315 1.00 0.00 H new ATOM 642 N ASP A 48 -13.873 8.691 -3.436 1.00 0.00 N ATOM 643 CA ASP A 48 -14.193 10.101 -3.614 1.00 0.00 C ATOM 644 C ASP A 48 -13.658 10.596 -4.961 1.00 0.00 C ATOM 645 O ASP A 48 -14.054 11.654 -5.450 1.00 0.00 O ATOM 646 CB ASP A 48 -13.595 10.929 -2.474 1.00 0.00 C ATOM 647 CG ASP A 48 -14.005 12.390 -2.530 1.00 0.00 C ATOM 648 OD1 ASP A 48 -14.806 12.750 -3.418 1.00 0.00 O ATOM 649 OD2 ASP A 48 -13.531 13.171 -1.679 1.00 0.00 O ATOM 0 H ASP A 48 -13.312 8.483 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.277 10.218 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.908 10.505 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.508 10.860 -2.512 1.00 0.00 H new ATOM 654 N GLY A 49 -12.751 9.818 -5.550 1.00 0.00 N ATOM 655 CA GLY A 49 -12.165 10.178 -6.824 1.00 0.00 C ATOM 656 C GLY A 49 -10.788 10.780 -6.663 1.00 0.00 C ATOM 657 O GLY A 49 -10.268 11.420 -7.577 1.00 0.00 O ATOM 0 H GLY A 49 -12.412 8.938 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.102 9.293 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.815 10.889 -7.334 1.00 0.00 H new ATOM 661 N ARG A 50 -10.198 10.573 -5.491 1.00 0.00 N ATOM 662 CA ARG A 50 -8.865 11.101 -5.207 1.00 0.00 C ATOM 663 C ARG A 50 -7.812 10.000 -5.232 1.00 0.00 C ATOM 664 O ARG A 50 -7.935 8.994 -4.536 1.00 0.00 O ATOM 665 CB ARG A 50 -8.853 11.824 -3.860 1.00 0.00 C ATOM 666 CG ARG A 50 -9.725 13.068 -3.829 1.00 0.00 C ATOM 667 CD ARG A 50 -9.704 13.727 -2.459 1.00 0.00 C ATOM 668 NE ARG A 50 -10.186 12.827 -1.414 1.00 0.00 N ATOM 669 CZ ARG A 50 -10.265 13.161 -0.129 1.00 0.00 C ATOM 670 NH1 ARG A 50 -9.899 14.371 0.276 1.00 0.00 N ATOM 671 NH2 ARG A 50 -10.712 12.280 0.758 1.00 0.00 N ATOM 0 H ARG A 50 -10.617 10.046 -4.725 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.616 11.816 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.189 11.136 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.828 12.103 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.377 13.777 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.749 12.803 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.688 14.044 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.322 14.625 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.479 11.888 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.554 15.052 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.963 14.619 1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.994 11.348 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.773 12.535 1.744 1.00 0.00 H new ATOM 685 N GLU A 51 -6.777 10.195 -6.042 1.00 0.00 N ATOM 686 CA GLU A 51 -5.706 9.215 -6.157 1.00 0.00 C ATOM 687 C GLU A 51 -4.362 9.814 -5.737 1.00 0.00 C ATOM 688 O GLU A 51 -4.126 11.011 -5.893 1.00 0.00 O ATOM 689 CB GLU A 51 -5.624 8.710 -7.595 1.00 0.00 C ATOM 690 CG GLU A 51 -5.211 9.779 -8.594 1.00 0.00 C ATOM 691 CD GLU A 51 -5.142 9.253 -10.014 1.00 0.00 C ATOM 692 OE1 GLU A 51 -4.354 8.316 -10.264 1.00 0.00 O ATOM 693 OE2 GLU A 51 -5.877 9.777 -10.878 1.00 0.00 O ATOM 0 H GLU A 51 -6.658 11.022 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.929 8.383 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.911 7.886 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.595 8.309 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.920 10.605 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.238 10.179 -8.311 1.00 0.00 H new ATOM 700 N ILE A 52 -3.486 8.965 -5.205 1.00 0.00 N ATOM 701 CA ILE A 52 -2.161 9.388 -4.762 1.00 0.00 C ATOM 702 C ILE A 52 -1.216 8.190 -4.684 1.00 0.00 C ATOM 703 O ILE A 52 -1.610 7.118 -4.238 1.00 0.00 O ATOM 704 CB ILE A 52 -2.225 10.081 -3.388 1.00 0.00 C ATOM 705 CG1 ILE A 52 -0.844 10.599 -2.985 1.00 0.00 C ATOM 706 CG2 ILE A 52 -2.768 9.125 -2.336 1.00 0.00 C ATOM 707 CD1 ILE A 52 -0.830 11.301 -1.637 1.00 0.00 C ATOM 0 H ILE A 52 -3.673 7.971 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.783 10.102 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.902 10.932 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.145 9.763 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.486 11.289 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.807 9.630 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.771 8.805 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.116 8.255 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.181 11.642 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.504 12.157 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.157 10.608 -0.862 1.00 0.00 H new ATOM 719 N THR A 53 0.025 8.372 -5.126 1.00 0.00 N ATOM 720 CA THR A 53 1.008 7.289 -5.112 1.00 0.00 C ATOM 721 C THR A 53 1.842 7.289 -3.831 1.00 0.00 C ATOM 722 O THR A 53 2.016 8.325 -3.188 1.00 0.00 O ATOM 723 CB THR A 53 1.923 7.398 -6.331 1.00 0.00 C ATOM 724 OG1 THR A 53 2.884 6.356 -6.333 1.00 0.00 O ATOM 725 CG2 THR A 53 2.667 8.712 -6.403 1.00 0.00 C ATOM 0 H THR A 53 0.375 9.255 -5.497 1.00 0.00 H new ATOM 0 HA THR A 53 0.460 6.347 -5.148 1.00 0.00 H new ATOM 0 HB THR A 53 1.263 7.326 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.636 6.606 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.298 8.724 -7.291 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.952 9.533 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.288 8.828 -5.515 1.00 0.00 H new ATOM 733 N VAL A 54 2.358 6.113 -3.467 1.00 0.00 N ATOM 734 CA VAL A 54 3.178 5.961 -2.268 1.00 0.00 C ATOM 735 C VAL A 54 4.167 4.800 -2.419 1.00 0.00 C ATOM 736 O VAL A 54 3.780 3.634 -2.353 1.00 0.00 O ATOM 737 CB VAL A 54 2.302 5.717 -1.021 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.161 5.647 0.235 1.00 0.00 C ATOM 739 CG2 VAL A 54 1.245 6.805 -0.890 1.00 0.00 C ATOM 0 H VAL A 54 2.220 5.249 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 54 3.732 6.891 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 54 1.795 4.759 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.524 5.474 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.876 4.830 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.699 6.587 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.637 6.617 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.732 7.776 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.609 6.803 -1.775 1.00 0.00 H new ATOM 749 N PRO A 55 5.464 5.105 -2.637 1.00 0.00 N ATOM 750 CA PRO A 55 6.512 4.085 -2.809 1.00 0.00 C ATOM 751 C PRO A 55 6.472 2.980 -1.748 1.00 0.00 C ATOM 752 O PRO A 55 6.226 3.241 -0.572 1.00 0.00 O ATOM 753 CB PRO A 55 7.801 4.893 -2.684 1.00 0.00 C ATOM 754 CG PRO A 55 7.435 6.252 -3.169 1.00 0.00 C ATOM 755 CD PRO A 55 6.010 6.473 -2.740 1.00 0.00 C ATOM 0 HA PRO A 55 6.399 3.554 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.154 4.921 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.601 4.459 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.093 7.009 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.532 6.319 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.955 7.000 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.460 7.071 -3.467 1.00 0.00 H new ATOM 763 N LYS A 56 6.724 1.744 -2.186 1.00 0.00 N ATOM 764 CA LYS A 56 6.730 0.584 -1.291 1.00 0.00 C ATOM 765 C LYS A 56 8.142 0.160 -0.898 1.00 0.00 C ATOM 766 O LYS A 56 8.309 -0.799 -0.148 1.00 0.00 O ATOM 767 CB LYS A 56 6.016 -0.610 -1.927 1.00 0.00 C ATOM 768 CG LYS A 56 4.505 -0.518 -1.882 1.00 0.00 C ATOM 769 CD LYS A 56 3.836 -1.751 -2.479 1.00 0.00 C ATOM 770 CE LYS A 56 4.212 -3.029 -1.735 1.00 0.00 C ATOM 771 NZ LYS A 56 5.590 -3.492 -2.065 1.00 0.00 N ATOM 0 H LYS A 56 6.928 1.520 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 56 6.199 0.896 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.334 -0.699 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.330 -1.521 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.181 -0.395 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.180 0.369 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.754 -1.623 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.121 -1.845 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.136 -2.857 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.498 -3.814 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.589 -4.525 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.906 -3.040 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.237 -3.235 -1.292 1.00 0.00 H new ATOM 785 N GLY A 57 9.156 0.841 -1.421 1.00 0.00 N ATOM 786 CA GLY A 57 10.526 0.466 -1.112 1.00 0.00 C ATOM 787 C GLY A 57 10.767 0.278 0.377 1.00 0.00 C ATOM 788 O GLY A 57 11.515 -0.612 0.781 1.00 0.00 O ATOM 0 H GLY A 57 9.057 1.639 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.771 -0.459 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.201 1.233 -1.490 1.00 0.00 H new ATOM 792 N ILE A 58 10.123 1.107 1.192 1.00 0.00 N ATOM 793 CA ILE A 58 10.251 1.025 2.639 1.00 0.00 C ATOM 794 C ILE A 58 9.024 1.641 3.297 1.00 0.00 C ATOM 795 O ILE A 58 9.124 2.655 3.989 1.00 0.00 O ATOM 796 CB ILE A 58 11.513 1.756 3.169 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.784 1.277 2.456 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.642 1.563 4.677 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.973 1.875 1.078 1.00 0.00 C ATOM 0 H ILE A 58 9.502 1.849 0.869 1.00 0.00 H new ATOM 0 HA ILE A 58 10.342 -0.032 2.889 1.00 0.00 H new ATOM 0 HB ILE A 58 11.396 2.819 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.649 1.524 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.754 0.191 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.532 2.081 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.761 1.970 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.726 0.500 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.892 1.489 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.127 1.607 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.036 2.960 1.158 1.00 0.00 H new ATOM 811 N ALA A 59 7.859 1.046 3.063 1.00 0.00 N ATOM 812 CA ALA A 59 6.624 1.588 3.631 1.00 0.00 C ATOM 813 C ALA A 59 5.673 0.521 4.178 1.00 0.00 C ATOM 814 O ALA A 59 5.047 -0.219 3.423 1.00 0.00 O ATOM 815 CB ALA A 59 5.908 2.440 2.593 1.00 0.00 C ATOM 0 H ALA A 59 7.741 0.206 2.497 1.00 0.00 H new ATOM 0 HA ALA A 59 6.921 2.196 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.989 2.841 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.555 3.263 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.666 1.828 1.724 1.00 0.00 H new ATOM 821 N VAL A 60 5.530 0.483 5.501 1.00 0.00 N ATOM 822 CA VAL A 60 4.619 -0.461 6.142 1.00 0.00 C ATOM 823 C VAL A 60 3.233 0.154 6.278 1.00 0.00 C ATOM 824 O VAL A 60 3.095 1.299 6.708 1.00 0.00 O ATOM 825 CB VAL A 60 5.124 -0.889 7.536 1.00 0.00 C ATOM 826 CG1 VAL A 60 5.202 0.308 8.470 1.00 0.00 C ATOM 827 CG2 VAL A 60 4.229 -1.973 8.117 1.00 0.00 C ATOM 0 H VAL A 60 6.031 1.092 6.147 1.00 0.00 H new ATOM 0 HA VAL A 60 4.572 -1.346 5.508 1.00 0.00 H new ATOM 0 HB VAL A 60 6.129 -1.298 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.560 -0.016 9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.889 1.047 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.212 0.752 8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.600 -2.263 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.212 -1.593 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.233 -2.841 7.457 1.00 0.00 H new ATOM 837 N PHE A 61 2.208 -0.600 5.897 1.00 0.00 N ATOM 838 CA PHE A 61 0.843 -0.101 5.973 1.00 0.00 C ATOM 839 C PHE A 61 -0.172 -1.235 6.064 1.00 0.00 C ATOM 840 O PHE A 61 0.059 -2.337 5.565 1.00 0.00 O ATOM 841 CB PHE A 61 0.544 0.783 4.760 1.00 0.00 C ATOM 842 CG PHE A 61 0.982 0.187 3.451 1.00 0.00 C ATOM 843 CD1 PHE A 61 0.441 -1.003 2.993 1.00 0.00 C ATOM 844 CD2 PHE A 61 1.935 0.827 2.675 1.00 0.00 C ATOM 845 CE1 PHE A 61 0.846 -1.545 1.786 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.344 0.289 1.469 1.00 0.00 C ATOM 847 CZ PHE A 61 1.799 -0.899 1.026 1.00 0.00 C ATOM 0 H PHE A 61 2.296 -1.550 5.536 1.00 0.00 H new ATOM 0 HA PHE A 61 0.754 0.490 6.885 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.528 0.977 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.038 1.746 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.305 -1.513 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.364 1.758 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.416 -2.473 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.089 0.797 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.118 -1.323 0.085 1.00 0.00 H new ATOM 857 N HIS A 62 -1.297 -0.948 6.708 1.00 0.00 N ATOM 858 CA HIS A 62 -2.364 -1.926 6.872 1.00 0.00 C ATOM 859 C HIS A 62 -3.624 -1.452 6.156 1.00 0.00 C ATOM 860 O HIS A 62 -3.910 -0.256 6.115 1.00 0.00 O ATOM 861 CB HIS A 62 -2.655 -2.153 8.357 1.00 0.00 C ATOM 862 CG HIS A 62 -1.513 -2.767 9.106 1.00 0.00 C ATOM 863 ND1 HIS A 62 -1.567 -3.057 10.454 1.00 0.00 N ATOM 864 CD2 HIS A 62 -0.282 -3.152 8.691 1.00 0.00 C ATOM 865 CE1 HIS A 62 -0.420 -3.591 10.834 1.00 0.00 C ATOM 866 NE2 HIS A 62 0.376 -3.662 9.783 1.00 0.00 N ATOM 0 H HIS A 62 -1.494 -0.039 7.127 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.042 -2.870 6.432 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.910 -1.199 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.529 -2.797 8.453 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.109 -3.073 7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.175 -3.915 11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.325 -4.035 9.782 1.00 0.00 H new ATOM 875 N PHE A 63 -4.369 -2.391 5.587 1.00 0.00 N ATOM 876 CA PHE A 63 -5.590 -2.051 4.868 1.00 0.00 C ATOM 877 C PHE A 63 -6.823 -2.332 5.718 1.00 0.00 C ATOM 878 O PHE A 63 -6.793 -3.169 6.619 1.00 0.00 O ATOM 879 CB PHE A 63 -5.678 -2.830 3.554 1.00 0.00 C ATOM 880 CG PHE A 63 -4.525 -2.581 2.622 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.228 -2.883 3.004 1.00 0.00 C ATOM 882 CD2 PHE A 63 -4.741 -2.041 1.365 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.168 -2.652 2.148 1.00 0.00 C ATOM 884 CE2 PHE A 63 -3.684 -1.809 0.505 1.00 0.00 C ATOM 885 CZ PHE A 63 -2.397 -2.115 0.897 1.00 0.00 C ATOM 0 H PHE A 63 -4.151 -3.387 5.609 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.557 -0.984 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.729 -3.896 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.606 -2.566 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.043 -3.304 3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.746 -1.799 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.161 -2.891 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.865 -1.389 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.570 -1.935 0.226 1.00 0.00 H new ATOM 895 N ARG A 64 -7.905 -1.625 5.420 1.00 0.00 N ATOM 896 CA ARG A 64 -9.156 -1.791 6.147 1.00 0.00 C ATOM 897 C ARG A 64 -10.321 -1.957 5.179 1.00 0.00 C ATOM 898 O ARG A 64 -10.493 -1.156 4.257 1.00 0.00 O ATOM 899 CB ARG A 64 -9.404 -0.585 7.054 1.00 0.00 C ATOM 900 CG ARG A 64 -8.285 -0.330 8.051 1.00 0.00 C ATOM 901 CD ARG A 64 -8.103 -1.506 8.997 1.00 0.00 C ATOM 902 NE ARG A 64 -9.299 -1.756 9.798 1.00 0.00 N ATOM 903 CZ ARG A 64 -9.765 -0.916 10.720 1.00 0.00 C ATOM 904 NH1 ARG A 64 -9.116 0.207 10.996 1.00 0.00 N ATOM 905 NH2 ARG A 64 -10.880 -1.208 11.377 1.00 0.00 N ATOM 0 H ARG A 64 -7.941 -0.928 4.676 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.079 -2.689 6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.537 0.303 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.336 -0.736 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.354 -0.145 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.506 0.570 8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.859 -2.399 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.258 -1.312 9.658 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.808 -2.626 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.253 0.432 10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.479 0.845 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.379 -2.075 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.239 -0.566 12.084 1.00 0.00 H new ATOM 919 N THR A 65 -11.122 -2.996 5.391 1.00 0.00 N ATOM 920 CA THR A 65 -12.273 -3.256 4.535 1.00 0.00 C ATOM 921 C THR A 65 -13.572 -2.916 5.264 1.00 0.00 C ATOM 922 O THR A 65 -13.781 -3.349 6.400 1.00 0.00 O ATOM 923 CB THR A 65 -12.293 -4.721 4.096 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.086 -5.065 3.440 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.435 -5.048 3.158 1.00 0.00 C ATOM 0 H THR A 65 -10.996 -3.670 6.146 1.00 0.00 H new ATOM 0 HA THR A 65 -12.189 -2.623 3.652 1.00 0.00 H new ATOM 0 HB THR A 65 -12.421 -5.296 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.118 -6.006 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.391 -6.102 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.384 -4.841 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.354 -4.437 2.259 1.00 0.00 H new ATOM 933 N PRO A 66 -14.467 -2.140 4.618 1.00 0.00 N ATOM 934 CA PRO A 66 -15.750 -1.747 5.211 1.00 0.00 C ATOM 935 C PRO A 66 -16.514 -2.940 5.770 1.00 0.00 C ATOM 936 O PRO A 66 -17.267 -2.809 6.735 1.00 0.00 O ATOM 937 CB PRO A 66 -16.522 -1.109 4.043 1.00 0.00 C ATOM 938 CG PRO A 66 -15.731 -1.419 2.816 1.00 0.00 C ATOM 939 CD PRO A 66 -14.310 -1.591 3.264 1.00 0.00 C ATOM 0 HA PRO A 66 -15.613 -1.072 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.530 -1.517 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.622 -0.033 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.099 -2.325 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.814 -0.614 2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.759 -2.269 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.769 -0.645 3.270 1.00 0.00 H new ATOM 947 N GLN A 67 -16.306 -4.104 5.166 1.00 0.00 N ATOM 948 CA GLN A 67 -16.968 -5.323 5.615 1.00 0.00 C ATOM 949 C GLN A 67 -16.554 -5.667 7.045 1.00 0.00 C ATOM 950 O GLN A 67 -17.208 -6.466 7.715 1.00 0.00 O ATOM 951 CB GLN A 67 -16.631 -6.486 4.680 1.00 0.00 C ATOM 952 CG GLN A 67 -17.066 -6.258 3.240 1.00 0.00 C ATOM 953 CD GLN A 67 -16.739 -7.421 2.312 1.00 0.00 C ATOM 954 OE1 GLN A 67 -17.034 -7.368 1.119 1.00 0.00 O ATOM 955 NE2 GLN A 67 -16.131 -8.480 2.845 1.00 0.00 N ATOM 0 H GLN A 67 -15.686 -4.230 4.366 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.044 -5.153 5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.555 -6.659 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.107 -7.392 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.141 -6.078 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.584 -5.356 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.901 -8.490 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.895 -9.281 2.259 1.00 0.00 H new ATOM 964 N GLY A 68 -15.463 -5.058 7.504 1.00 0.00 N ATOM 965 CA GLY A 68 -14.981 -5.311 8.847 1.00 0.00 C ATOM 966 C GLY A 68 -13.777 -6.231 8.863 1.00 0.00 C ATOM 967 O GLY A 68 -13.727 -7.184 9.640 1.00 0.00 O ATOM 0 H GLY A 68 -14.905 -4.394 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.719 -4.365 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.781 -5.753 9.440 1.00 0.00 H new ATOM 971 N GLU A 69 -12.805 -5.948 8.001 1.00 0.00 N ATOM 972 CA GLU A 69 -11.596 -6.765 7.925 1.00 0.00 C ATOM 973 C GLU A 69 -10.349 -5.930 8.197 1.00 0.00 C ATOM 974 O GLU A 69 -10.325 -4.727 7.940 1.00 0.00 O ATOM 975 CB GLU A 69 -11.486 -7.436 6.555 1.00 0.00 C ATOM 976 CG GLU A 69 -12.688 -8.295 6.198 1.00 0.00 C ATOM 977 CD GLU A 69 -12.554 -8.950 4.838 1.00 0.00 C ATOM 978 OE1 GLU A 69 -11.592 -9.722 4.641 1.00 0.00 O ATOM 979 OE2 GLU A 69 -13.411 -8.690 3.967 1.00 0.00 O ATOM 0 H GLU A 69 -12.829 -5.164 7.349 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.668 -7.536 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.361 -6.667 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.589 -8.055 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.817 -9.066 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.587 -7.679 6.213 1.00 0.00 H new ATOM 986 N LEU A 70 -9.314 -6.583 8.718 1.00 0.00 N ATOM 987 CA LEU A 70 -8.057 -5.908 9.028 1.00 0.00 C ATOM 988 C LEU A 70 -6.888 -6.610 8.344 1.00 0.00 C ATOM 989 O LEU A 70 -6.523 -7.728 8.710 1.00 0.00 O ATOM 990 CB LEU A 70 -7.844 -5.874 10.547 1.00 0.00 C ATOM 991 CG LEU A 70 -6.606 -5.108 11.030 1.00 0.00 C ATOM 992 CD1 LEU A 70 -5.326 -5.828 10.623 1.00 0.00 C ATOM 993 CD2 LEU A 70 -6.616 -3.689 10.482 1.00 0.00 C ATOM 0 H LEU A 70 -9.321 -7.580 8.935 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.107 -4.885 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.726 -5.430 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.777 -6.900 10.909 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.636 -5.063 12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.463 -5.264 10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.314 -6.825 11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.284 -5.910 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.732 -3.157 10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.612 -3.720 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.511 -3.172 10.827 1.00 0.00 H new ATOM 1005 N VAL A 71 -6.301 -5.946 7.353 1.00 0.00 N ATOM 1006 CA VAL A 71 -5.170 -6.509 6.623 1.00 0.00 C ATOM 1007 C VAL A 71 -3.903 -5.695 6.872 1.00 0.00 C ATOM 1008 O VAL A 71 -3.964 -4.487 7.093 1.00 0.00 O ATOM 1009 CB VAL A 71 -5.448 -6.564 5.108 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -4.286 -7.211 4.368 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -6.746 -7.308 4.833 1.00 0.00 C ATOM 0 H VAL A 71 -6.589 -5.020 7.038 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.026 -7.525 6.990 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.553 -5.543 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.505 -7.239 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.379 -6.631 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.141 -8.227 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.928 -7.338 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.671 -8.325 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.571 -6.795 5.326 1.00 0.00 H new ATOM 1021 N GLU A 72 -2.754 -6.367 6.839 1.00 0.00 N ATOM 1022 CA GLU A 72 -1.475 -5.702 7.069 1.00 0.00 C ATOM 1023 C GLU A 72 -0.486 -5.996 5.942 1.00 0.00 C ATOM 1024 O GLU A 72 -0.409 -7.120 5.449 1.00 0.00 O ATOM 1025 CB GLU A 72 -0.883 -6.145 8.407 1.00 0.00 C ATOM 1026 CG GLU A 72 -0.633 -7.642 8.495 1.00 0.00 C ATOM 1027 CD GLU A 72 -0.046 -8.058 9.830 1.00 0.00 C ATOM 1028 OE1 GLU A 72 1.051 -7.569 10.174 1.00 0.00 O ATOM 1029 OE2 GLU A 72 -0.683 -8.871 10.531 1.00 0.00 O ATOM 0 H GLU A 72 -2.683 -7.368 6.656 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.656 -4.627 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.057 -5.618 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.559 -5.850 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.571 -8.173 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.045 -7.941 7.695 1.00 0.00 H new ATOM 1036 N ILE A 73 0.274 -4.977 5.552 1.00 0.00 N ATOM 1037 CA ILE A 73 1.268 -5.118 4.495 1.00 0.00 C ATOM 1038 C ILE A 73 2.548 -4.382 4.875 1.00 0.00 C ATOM 1039 O ILE A 73 2.498 -3.283 5.424 1.00 0.00 O ATOM 1040 CB ILE A 73 0.744 -4.571 3.151 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -0.544 -5.293 2.746 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.800 -4.720 2.064 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -0.354 -6.775 2.496 1.00 0.00 C ATOM 0 H ILE A 73 0.219 -4.041 5.954 1.00 0.00 H new ATOM 0 HA ILE A 73 1.475 -6.182 4.378 1.00 0.00 H new ATOM 0 HB ILE A 73 0.524 -3.511 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.289 -5.158 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.943 -4.829 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.412 -4.329 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.694 -4.164 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.051 -5.774 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.307 -7.221 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.367 -6.919 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.015 -7.253 3.403 1.00 0.00 H new ATOM 1055 N ASP A 74 3.693 -4.994 4.595 1.00 0.00 N ATOM 1056 CA ASP A 74 4.975 -4.383 4.930 1.00 0.00 C ATOM 1057 C ASP A 74 5.721 -3.914 3.684 1.00 0.00 C ATOM 1058 O ASP A 74 6.014 -4.696 2.780 1.00 0.00 O ATOM 1059 CB ASP A 74 5.842 -5.361 5.720 1.00 0.00 C ATOM 1060 CG ASP A 74 5.190 -5.797 7.017 1.00 0.00 C ATOM 1061 OD1 ASP A 74 4.908 -4.922 7.863 1.00 0.00 O ATOM 1062 OD2 ASP A 74 4.959 -7.013 7.188 1.00 0.00 O ATOM 0 H ASP A 74 3.761 -5.905 4.141 1.00 0.00 H new ATOM 0 HA ASP A 74 4.768 -3.508 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.046 -6.239 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.803 -4.895 5.939 1.00 0.00 H new ATOM 1067 N GLY A 75 6.032 -2.627 3.659 1.00 0.00 N ATOM 1068 CA GLY A 75 6.754 -2.040 2.551 1.00 0.00 C ATOM 1069 C GLY A 75 8.250 -2.041 2.775 1.00 0.00 C ATOM 1070 O GLY A 75 9.011 -1.726 1.870 1.00 0.00 O ATOM 0 H GLY A 75 5.792 -1.969 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.525 -2.591 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.412 -1.016 2.399 1.00 0.00 H new ATOM 1074 N ARG A 76 8.672 -2.330 4.003 1.00 0.00 N ATOM 1075 CA ARG A 76 10.082 -2.324 4.345 1.00 0.00 C ATOM 1076 C ARG A 76 10.688 -3.725 4.326 1.00 0.00 C ATOM 1077 O ARG A 76 11.761 -3.940 3.759 1.00 0.00 O ATOM 1078 CB ARG A 76 10.289 -1.688 5.722 1.00 0.00 C ATOM 1079 CG ARG A 76 11.733 -1.710 6.199 1.00 0.00 C ATOM 1080 CD ARG A 76 11.871 -1.089 7.581 1.00 0.00 C ATOM 1081 NE ARG A 76 13.251 -1.115 8.059 1.00 0.00 N ATOM 1082 CZ ARG A 76 13.632 -0.654 9.247 1.00 0.00 C ATOM 1083 NH1 ARG A 76 12.740 -0.140 10.084 1.00 0.00 N ATOM 1084 NH2 ARG A 76 14.908 -0.712 9.603 1.00 0.00 N ATOM 0 H ARG A 76 8.052 -2.571 4.776 1.00 0.00 H new ATOM 0 HA ARG A 76 10.595 -1.734 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.943 -0.655 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.668 -2.210 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.094 -2.738 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.360 -1.168 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.517 -0.058 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.234 -1.625 8.284 1.00 0.00 H new ATOM 0 HE ARG A 76 13.964 -1.510 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.756 -0.097 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.038 0.212 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.598 -1.110 8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.200 -0.358 10.514 1.00 0.00 H new ATOM 1098 N ALA A 77 10.021 -4.659 4.981 1.00 0.00 N ATOM 1099 CA ALA A 77 10.515 -6.026 5.079 1.00 0.00 C ATOM 1100 C ALA A 77 9.832 -6.998 4.116 1.00 0.00 C ATOM 1101 O ALA A 77 10.337 -8.097 3.888 1.00 0.00 O ATOM 1102 CB ALA A 77 10.377 -6.526 6.509 1.00 0.00 C ATOM 0 H ALA A 77 9.133 -4.497 5.455 1.00 0.00 H new ATOM 0 HA ALA A 77 11.565 -5.995 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.748 -7.549 6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.956 -5.887 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.328 -6.502 6.803 1.00 0.00 H new ATOM 1108 N LEU A 78 8.685 -6.617 3.565 1.00 0.00 N ATOM 1109 CA LEU A 78 7.966 -7.507 2.652 1.00 0.00 C ATOM 1110 C LEU A 78 7.974 -7.000 1.213 1.00 0.00 C ATOM 1111 O LEU A 78 7.027 -7.235 0.464 1.00 0.00 O ATOM 1112 CB LEU A 78 6.525 -7.718 3.119 1.00 0.00 C ATOM 1113 CG LEU A 78 6.378 -8.518 4.417 1.00 0.00 C ATOM 1114 CD1 LEU A 78 4.912 -8.652 4.802 1.00 0.00 C ATOM 1115 CD2 LEU A 78 7.018 -9.891 4.273 1.00 0.00 C ATOM 0 H LEU A 78 8.237 -5.715 3.728 1.00 0.00 H new ATOM 0 HA LEU A 78 8.495 -8.460 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.056 -6.743 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.974 -8.229 2.330 1.00 0.00 H new ATOM 0 HG LEU A 78 6.893 -7.978 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.829 -9.223 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.482 -7.661 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.373 -9.168 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.904 -10.445 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.531 -10.436 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.078 -9.776 4.047 1.00 0.00 H new ATOM 1127 N VAL A 79 9.049 -6.327 0.817 1.00 0.00 N ATOM 1128 CA VAL A 79 9.158 -5.831 -0.546 1.00 0.00 C ATOM 1129 C VAL A 79 9.433 -6.990 -1.501 1.00 0.00 C ATOM 1130 O VAL A 79 10.563 -7.468 -1.604 1.00 0.00 O ATOM 1131 CB VAL A 79 10.273 -4.773 -0.677 1.00 0.00 C ATOM 1132 CG1 VAL A 79 11.621 -5.360 -0.284 1.00 0.00 C ATOM 1133 CG2 VAL A 79 10.319 -4.214 -2.091 1.00 0.00 C ATOM 0 H VAL A 79 9.848 -6.115 1.414 1.00 0.00 H new ATOM 0 HA VAL A 79 8.211 -5.357 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 79 10.048 -3.953 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.393 -4.597 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.581 -5.703 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.856 -6.201 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.112 -3.470 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.516 -5.022 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.362 -3.749 -2.330 1.00 0.00 H new ATOM 1143 N ALA A 80 8.389 -7.455 -2.183 1.00 0.00 N ATOM 1144 CA ALA A 80 8.521 -8.577 -3.108 1.00 0.00 C ATOM 1145 C ALA A 80 8.383 -8.140 -4.563 1.00 0.00 C ATOM 1146 O ALA A 80 7.709 -7.158 -4.872 1.00 0.00 O ATOM 1147 CB ALA A 80 7.488 -9.645 -2.782 1.00 0.00 C ATOM 0 H ALA A 80 7.446 -7.074 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 80 9.523 -8.988 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.594 -10.478 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.642 -10.001 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.487 -9.223 -2.872 1.00 0.00 H new ATOM 1153 N ARG A 81 9.022 -8.896 -5.453 1.00 0.00 N ATOM 1154 CA ARG A 81 8.976 -8.615 -6.883 1.00 0.00 C ATOM 1155 C ARG A 81 8.317 -9.775 -7.636 1.00 0.00 C ATOM 1156 O ARG A 81 8.973 -10.761 -7.971 1.00 0.00 O ATOM 1157 CB ARG A 81 10.390 -8.367 -7.412 1.00 0.00 C ATOM 1158 CG ARG A 81 11.378 -9.471 -7.068 1.00 0.00 C ATOM 1159 CD ARG A 81 12.780 -9.168 -7.586 1.00 0.00 C ATOM 1160 NE ARG A 81 13.339 -7.949 -7.000 1.00 0.00 N ATOM 1161 CZ ARG A 81 13.048 -6.718 -7.417 1.00 0.00 C ATOM 1162 NH1 ARG A 81 12.287 -6.530 -8.488 1.00 0.00 N ATOM 1163 NH2 ARG A 81 13.548 -5.669 -6.777 1.00 0.00 N ATOM 0 H ARG A 81 9.581 -9.713 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 81 8.378 -7.718 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.348 -8.255 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.758 -7.424 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.412 -9.602 -5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.031 -10.413 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.436 -10.009 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.750 -9.066 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 81 13.993 -8.048 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.919 -7.332 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.070 -5.583 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.154 -5.806 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.327 -4.725 -7.094 1.00 0.00 H new ATOM 1177 N PRO A 82 7.000 -9.681 -7.893 1.00 0.00 N ATOM 1178 CA PRO A 82 6.251 -10.739 -8.588 1.00 0.00 C ATOM 1179 C PRO A 82 6.629 -10.891 -10.064 1.00 0.00 C ATOM 1180 O PRO A 82 7.500 -11.690 -10.408 1.00 0.00 O ATOM 1181 CB PRO A 82 4.789 -10.302 -8.432 1.00 0.00 C ATOM 1182 CG PRO A 82 4.847 -8.827 -8.233 1.00 0.00 C ATOM 1183 CD PRO A 82 6.133 -8.552 -7.505 1.00 0.00 C ATOM 0 HA PRO A 82 6.465 -11.721 -8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.204 -10.558 -9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.318 -10.797 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.821 -8.304 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.991 -8.478 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.564 -7.595 -7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.983 -8.514 -6.426 1.00 0.00 H new ATOM 1191 N GLU A 83 5.955 -10.146 -10.934 1.00 0.00 N ATOM 1192 CA GLU A 83 6.200 -10.215 -12.373 1.00 0.00 C ATOM 1193 C GLU A 83 7.680 -10.071 -12.715 1.00 0.00 C ATOM 1194 O GLU A 83 8.133 -10.546 -13.756 1.00 0.00 O ATOM 1195 CB GLU A 83 5.390 -9.140 -13.099 1.00 0.00 C ATOM 1196 CG GLU A 83 3.886 -9.282 -12.920 1.00 0.00 C ATOM 1197 CD GLU A 83 3.344 -10.578 -13.498 1.00 0.00 C ATOM 1198 OE1 GLU A 83 4.140 -11.354 -14.069 1.00 0.00 O ATOM 1199 OE2 GLU A 83 2.123 -10.812 -13.383 1.00 0.00 O ATOM 0 H GLU A 83 5.229 -9.482 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 83 5.881 -11.202 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.699 -8.159 -12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.625 -9.177 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.645 -9.234 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.387 -8.439 -13.398 1.00 0.00 H new ATOM 1206 N GLU A 84 8.427 -9.414 -11.841 1.00 0.00 N ATOM 1207 CA GLU A 84 9.856 -9.214 -12.063 1.00 0.00 C ATOM 1208 C GLU A 84 10.669 -10.424 -11.597 1.00 0.00 C ATOM 1209 O GLU A 84 11.896 -10.428 -11.683 1.00 0.00 O ATOM 1210 CB GLU A 84 10.325 -7.943 -11.345 1.00 0.00 C ATOM 1211 CG GLU A 84 11.815 -7.660 -11.485 1.00 0.00 C ATOM 1212 CD GLU A 84 12.251 -7.490 -12.929 1.00 0.00 C ATOM 1213 OE1 GLU A 84 11.383 -7.549 -13.825 1.00 0.00 O ATOM 1214 OE2 GLU A 84 13.462 -7.294 -13.164 1.00 0.00 O ATOM 0 H GLU A 84 8.072 -9.011 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 84 10.020 -9.100 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.767 -7.092 -11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.080 -8.026 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.062 -6.757 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.379 -8.477 -11.034 1.00 0.00 H new ATOM 1221 N ARG A 85 9.979 -11.455 -11.112 1.00 0.00 N ATOM 1222 CA ARG A 85 10.640 -12.669 -10.642 1.00 0.00 C ATOM 1223 C ARG A 85 11.533 -12.377 -9.440 1.00 0.00 C ATOM 1224 O ARG A 85 12.037 -11.265 -9.283 1.00 0.00 O ATOM 1225 CB ARG A 85 11.468 -13.294 -11.768 1.00 0.00 C ATOM 1226 CG ARG A 85 12.167 -14.582 -11.364 1.00 0.00 C ATOM 1227 CD ARG A 85 12.972 -15.164 -12.515 1.00 0.00 C ATOM 1228 NE ARG A 85 13.648 -16.403 -12.137 1.00 0.00 N ATOM 1229 CZ ARG A 85 14.419 -17.109 -12.962 1.00 0.00 C ATOM 1230 NH1 ARG A 85 14.609 -16.705 -14.212 1.00 0.00 N ATOM 1231 NH2 ARG A 85 14.999 -18.224 -12.537 1.00 0.00 N ATOM 0 H ARG A 85 8.962 -11.473 -11.035 1.00 0.00 H new ATOM 0 HA ARG A 85 9.868 -13.374 -10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.817 -13.495 -12.619 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.215 -12.574 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.827 -14.389 -10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.427 -15.310 -11.032 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.311 -15.355 -13.360 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.711 -14.434 -12.847 1.00 0.00 H new ATOM 0 HE ARG A 85 13.522 -16.747 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.164 -15.850 -14.545 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.201 -17.250 -14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.854 -18.541 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.589 -18.765 -13.169 1.00 0.00 H new ATOM 1245 N ILE A 86 11.720 -13.384 -8.592 1.00 0.00 N ATOM 1246 CA ILE A 86 12.550 -13.239 -7.403 1.00 0.00 C ATOM 1247 C ILE A 86 14.014 -13.535 -7.721 1.00 0.00 C ATOM 1248 O ILE A 86 14.321 -14.215 -8.699 1.00 0.00 O ATOM 1249 CB ILE A 86 12.077 -14.173 -6.263 1.00 0.00 C ATOM 1250 CG1 ILE A 86 10.633 -13.855 -5.864 1.00 0.00 C ATOM 1251 CG2 ILE A 86 12.996 -14.053 -5.054 1.00 0.00 C ATOM 1252 CD1 ILE A 86 9.618 -14.131 -6.953 1.00 0.00 C ATOM 0 H ILE A 86 11.307 -14.310 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 86 12.454 -12.205 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 86 12.116 -15.199 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.373 -14.441 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.569 -12.805 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 86 12.646 -14.717 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 86 14.011 -14.331 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.989 -13.025 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.620 -13.880 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.850 -13.525 -7.829 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.652 -15.187 -7.223 1.00 0.00 H new TER 1264 ILE A 86