USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 THR OG1 : rot -174:sc= -0.835 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.084 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 13 GLN : amide:sc= -0.235 K(o=-0.23,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-5.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.112 USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0682) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.45 K(o=-3.4,f=-6.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -11! C(o=-11!,f=-15!) USER MOD Single : A 49 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 57 ASN : amide:sc= -2.52 K(o=-2.5,f=-11!) USER MOD Single : A 63 HIS : no HD1:sc= -0.839 K(o=-0.84,f=-4.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 71 SER OG : rot 62:sc= 0.104 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.35 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.684 K(o=-0.68,f=-4.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.283 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -18:sc= 0.743 USER MOD Single : A 93 THR OG1 : rot -27:sc= -0.255! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.327 6.340 13.786 1.00 0.00 N ATOM 2 CA ASP A 1 -0.852 6.128 13.754 1.00 0.00 C ATOM 3 C ASP A 1 -0.525 4.648 13.973 1.00 0.00 C ATOM 4 O ASP A 1 0.141 4.026 13.167 1.00 0.00 O ATOM 5 CB ASP A 1 -0.305 6.975 14.903 1.00 0.00 C ATOM 6 CG ASP A 1 1.047 7.570 14.503 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.103 8.220 13.472 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.002 7.363 15.233 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.536 7.348 13.636 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.775 5.778 13.034 1.00 0.00 H new ATOM 0 H3 ASP A 1 -2.701 6.042 14.710 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.415 6.410 12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -1.007 7.772 15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.194 6.363 15.798 1.00 0.00 H new ATOM 13 N LYS A 2 -1.020 4.075 15.040 1.00 0.00 N ATOM 14 CA LYS A 2 -0.781 2.623 15.298 1.00 0.00 C ATOM 15 C LYS A 2 -2.075 1.827 15.103 1.00 0.00 C ATOM 16 O LYS A 2 -2.287 0.808 15.734 1.00 0.00 O ATOM 17 CB LYS A 2 -0.307 2.542 16.756 1.00 0.00 C ATOM 18 CG LYS A 2 -1.360 3.153 17.689 1.00 0.00 C ATOM 19 CD LYS A 2 -1.394 2.369 19.003 1.00 0.00 C ATOM 20 CE LYS A 2 -2.611 2.803 19.824 1.00 0.00 C ATOM 21 NZ LYS A 2 -2.732 1.780 20.901 1.00 0.00 N ATOM 0 H LYS A 2 -1.581 4.552 15.746 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.046 2.201 14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.126 1.503 17.030 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.640 3.070 16.868 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.126 4.200 17.884 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.340 3.129 17.213 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.442 1.299 18.800 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.479 2.545 19.568 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.471 3.800 20.241 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.510 2.838 19.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.546 2.009 21.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.871 0.842 20.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.864 1.775 21.474 1.00 0.00 H new ATOM 35 N ASP A 3 -2.921 2.267 14.206 1.00 0.00 N ATOM 36 CA ASP A 3 -4.185 1.519 13.930 1.00 0.00 C ATOM 37 C ASP A 3 -4.491 1.536 12.430 1.00 0.00 C ATOM 38 O ASP A 3 -3.750 2.094 11.643 1.00 0.00 O ATOM 39 CB ASP A 3 -5.267 2.270 14.706 1.00 0.00 C ATOM 40 CG ASP A 3 -6.324 1.279 15.197 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.771 0.475 14.396 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.668 1.341 16.366 1.00 0.00 O ATOM 0 H ASP A 3 -2.790 3.113 13.652 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.120 0.473 14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.824 2.795 15.553 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.729 3.025 14.069 1.00 0.00 H new ATOM 47 N VAL A 4 -5.598 0.960 12.036 1.00 0.00 N ATOM 48 CA VAL A 4 -5.986 0.975 10.595 1.00 0.00 C ATOM 49 C VAL A 4 -7.436 1.453 10.442 1.00 0.00 C ATOM 50 O VAL A 4 -8.349 0.887 11.014 1.00 0.00 O ATOM 51 CB VAL A 4 -5.832 -0.483 10.130 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.375 -0.653 8.706 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.349 -0.861 10.142 1.00 0.00 C ATOM 0 H VAL A 4 -6.252 0.478 12.653 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.372 1.654 10.003 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.394 -1.128 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.258 -1.691 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.431 -0.385 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.822 -0.005 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.234 -1.894 9.813 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.800 -0.203 9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.955 -0.756 11.153 1.00 0.00 H new ATOM 63 N LYS A 5 -7.653 2.421 9.591 1.00 0.00 N ATOM 64 CA LYS A 5 -9.046 2.863 9.290 1.00 0.00 C ATOM 65 C LYS A 5 -9.392 2.507 7.839 1.00 0.00 C ATOM 66 O LYS A 5 -8.766 1.648 7.244 1.00 0.00 O ATOM 67 CB LYS A 5 -9.040 4.383 9.508 1.00 0.00 C ATOM 68 CG LYS A 5 -8.030 5.047 8.566 1.00 0.00 C ATOM 69 CD LYS A 5 -8.200 6.568 8.624 1.00 0.00 C ATOM 70 CE LYS A 5 -7.186 7.161 9.604 1.00 0.00 C ATOM 71 NZ LYS A 5 -7.219 8.629 9.352 1.00 0.00 N ATOM 0 H LYS A 5 -6.922 2.926 9.090 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.792 2.380 9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.036 4.788 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.786 4.609 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.015 4.773 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.180 4.692 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.057 6.998 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.213 6.819 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.453 6.932 10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.189 6.754 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.548 9.106 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.954 8.818 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.178 8.990 9.528 1.00 0.00 H new ATOM 85 N TYR A 6 -10.348 3.181 7.254 1.00 0.00 N ATOM 86 CA TYR A 6 -10.694 2.906 5.827 1.00 0.00 C ATOM 87 C TYR A 6 -10.524 4.172 4.985 1.00 0.00 C ATOM 88 O TYR A 6 -11.452 4.941 4.812 1.00 0.00 O ATOM 89 CB TYR A 6 -12.155 2.460 5.852 1.00 0.00 C ATOM 90 CG TYR A 6 -12.230 1.032 6.337 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.568 0.019 5.633 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.957 0.722 7.492 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.634 -1.304 6.084 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.022 -0.602 7.944 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.360 -1.615 7.240 1.00 0.00 C ATOM 96 OH TYR A 6 -12.424 -2.920 7.685 1.00 0.00 O ATOM 0 H TYR A 6 -10.904 3.909 7.702 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.048 2.148 5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.735 3.110 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.590 2.542 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.007 0.259 4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.468 1.504 8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.125 -2.086 5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.583 -0.841 8.835 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.967 -2.961 8.500 1.00 0.00 H new ATOM 106 N TYR A 7 -9.359 4.365 4.419 1.00 0.00 N ATOM 107 CA TYR A 7 -9.135 5.550 3.535 1.00 0.00 C ATOM 108 C TYR A 7 -10.085 5.494 2.335 1.00 0.00 C ATOM 109 O TYR A 7 -10.728 4.490 2.091 1.00 0.00 O ATOM 110 CB TYR A 7 -7.680 5.443 3.063 1.00 0.00 C ATOM 111 CG TYR A 7 -6.740 5.454 4.251 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.861 6.439 5.241 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.739 4.480 4.355 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.984 6.448 6.332 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.863 4.490 5.446 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.985 5.474 6.434 1.00 0.00 C ATOM 117 OH TYR A 7 -4.120 5.482 7.509 1.00 0.00 O ATOM 0 H TYR A 7 -8.552 3.752 4.531 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.322 6.488 4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.543 4.526 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.445 6.273 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.632 7.192 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.643 3.721 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.079 7.207 7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.092 3.738 5.526 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.574 5.859 8.292 1.00 0.00 H new ATOM 127 N THR A 8 -10.131 6.543 1.554 1.00 0.00 N ATOM 128 CA THR A 8 -10.987 6.532 0.328 1.00 0.00 C ATOM 129 C THR A 8 -10.108 6.498 -0.924 1.00 0.00 C ATOM 130 O THR A 8 -9.036 7.072 -0.957 1.00 0.00 O ATOM 131 CB THR A 8 -11.789 7.832 0.389 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.896 8.936 0.428 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.666 7.837 1.641 1.00 0.00 C ATOM 0 H THR A 8 -9.613 7.407 1.712 1.00 0.00 H new ATOM 0 HA THR A 8 -11.638 5.659 0.285 1.00 0.00 H new ATOM 0 HB THR A 8 -12.423 7.909 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.409 9.770 0.465 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.237 8.765 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.352 6.990 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.036 7.759 2.527 1.00 0.00 H new ATOM 141 N LEU A 9 -10.565 5.843 -1.962 1.00 0.00 N ATOM 142 CA LEU A 9 -9.772 5.779 -3.233 1.00 0.00 C ATOM 143 C LEU A 9 -9.425 7.189 -3.733 1.00 0.00 C ATOM 144 O LEU A 9 -8.462 7.377 -4.453 1.00 0.00 O ATOM 145 CB LEU A 9 -10.682 5.068 -4.236 1.00 0.00 C ATOM 146 CG LEU A 9 -9.843 4.164 -5.143 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.209 3.046 -4.310 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.743 3.548 -6.217 1.00 0.00 C ATOM 0 H LEU A 9 -11.456 5.347 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.826 5.256 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.430 4.476 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.221 5.801 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.058 4.754 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.612 2.404 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.570 3.482 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.993 2.456 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.148 2.904 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.527 2.959 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.195 4.342 -6.812 1.00 0.00 H new ATOM 160 N GLU A 10 -10.183 8.180 -3.334 1.00 0.00 N ATOM 161 CA GLU A 10 -9.877 9.579 -3.759 1.00 0.00 C ATOM 162 C GLU A 10 -8.849 10.212 -2.816 1.00 0.00 C ATOM 163 O GLU A 10 -8.083 11.071 -3.210 1.00 0.00 O ATOM 164 CB GLU A 10 -11.212 10.319 -3.672 1.00 0.00 C ATOM 165 CG GLU A 10 -12.175 9.762 -4.721 1.00 0.00 C ATOM 166 CD GLU A 10 -12.945 8.579 -4.130 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.779 8.811 -3.269 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.688 7.462 -4.547 1.00 0.00 O ATOM 0 H GLU A 10 -11.000 8.080 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.451 9.620 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.638 10.205 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.059 11.386 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.870 10.539 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.622 9.445 -5.605 1.00 0.00 H new ATOM 175 N GLU A 11 -8.805 9.769 -1.583 1.00 0.00 N ATOM 176 CA GLU A 11 -7.800 10.317 -0.621 1.00 0.00 C ATOM 177 C GLU A 11 -6.457 9.602 -0.794 1.00 0.00 C ATOM 178 O GLU A 11 -5.406 10.192 -0.622 1.00 0.00 O ATOM 179 CB GLU A 11 -8.385 10.038 0.766 1.00 0.00 C ATOM 180 CG GLU A 11 -7.457 10.612 1.838 1.00 0.00 C ATOM 181 CD GLU A 11 -8.286 11.064 3.043 1.00 0.00 C ATOM 182 OE1 GLU A 11 -9.139 11.917 2.863 1.00 0.00 O ATOM 183 OE2 GLU A 11 -8.053 10.548 4.124 1.00 0.00 O ATOM 0 H GLU A 11 -9.422 9.052 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.615 11.380 -0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.376 10.485 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.506 8.965 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.730 9.860 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.894 11.454 1.434 1.00 0.00 H new ATOM 190 N ILE A 12 -6.484 8.352 -1.179 1.00 0.00 N ATOM 191 CA ILE A 12 -5.208 7.609 -1.418 1.00 0.00 C ATOM 192 C ILE A 12 -4.606 8.026 -2.764 1.00 0.00 C ATOM 193 O ILE A 12 -3.402 8.019 -2.943 1.00 0.00 O ATOM 194 CB ILE A 12 -5.598 6.125 -1.440 1.00 0.00 C ATOM 195 CG1 ILE A 12 -6.276 5.737 -0.113 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.345 5.267 -1.645 1.00 0.00 C ATOM 197 CD1 ILE A 12 -5.327 5.977 1.069 1.00 0.00 C ATOM 0 H ILE A 12 -7.335 7.812 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.461 7.816 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.296 5.954 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.187 6.321 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.571 4.688 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.624 4.213 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.874 5.531 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.645 5.445 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.824 5.697 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.428 5.373 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.053 7.031 1.108 1.00 0.00 H new ATOM 209 N GLN A 13 -5.435 8.421 -3.698 1.00 0.00 N ATOM 210 CA GLN A 13 -4.919 8.877 -5.024 1.00 0.00 C ATOM 211 C GLN A 13 -4.658 10.386 -5.005 1.00 0.00 C ATOM 212 O GLN A 13 -5.043 11.100 -5.912 1.00 0.00 O ATOM 213 CB GLN A 13 -6.032 8.541 -6.018 1.00 0.00 C ATOM 214 CG GLN A 13 -6.037 7.034 -6.291 1.00 0.00 C ATOM 215 CD GLN A 13 -6.423 6.779 -7.749 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.980 7.480 -8.638 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.234 5.798 -8.035 1.00 0.00 N ATOM 0 H GLN A 13 -6.450 8.447 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.976 8.396 -5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.997 8.852 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.881 9.089 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.052 6.614 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.741 6.536 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.606 5.210 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.496 5.619 -9.004 1.00 0.00 H new ATOM 226 N LYS A 14 -3.970 10.868 -4.000 1.00 0.00 N ATOM 227 CA LYS A 14 -3.637 12.325 -3.945 1.00 0.00 C ATOM 228 C LYS A 14 -2.514 12.580 -2.933 1.00 0.00 C ATOM 229 O LYS A 14 -2.695 13.286 -1.957 1.00 0.00 O ATOM 230 CB LYS A 14 -4.935 13.020 -3.509 1.00 0.00 C ATOM 231 CG LYS A 14 -5.403 12.465 -2.159 1.00 0.00 C ATOM 232 CD LYS A 14 -6.069 13.581 -1.351 1.00 0.00 C ATOM 233 CE LYS A 14 -7.358 14.019 -2.051 1.00 0.00 C ATOM 234 NZ LYS A 14 -8.317 14.303 -0.947 1.00 0.00 N ATOM 0 H LYS A 14 -3.625 10.316 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.282 12.701 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.773 14.095 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.709 12.867 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.105 11.646 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.555 12.058 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.291 13.232 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.390 14.428 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.192 14.903 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.735 13.237 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.226 14.610 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.460 13.442 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.935 15.056 -0.340 1.00 0.00 H new ATOM 248 N HIS A 15 -1.346 12.047 -3.185 1.00 0.00 N ATOM 249 CA HIS A 15 -0.191 12.295 -2.270 1.00 0.00 C ATOM 250 C HIS A 15 1.112 12.371 -3.070 1.00 0.00 C ATOM 251 O HIS A 15 1.247 11.759 -4.112 1.00 0.00 O ATOM 252 CB HIS A 15 -0.171 11.096 -1.322 1.00 0.00 C ATOM 253 CG HIS A 15 -1.078 11.370 -0.153 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.632 12.003 0.996 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.409 11.105 0.057 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.676 12.098 1.839 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.785 11.566 1.315 1.00 0.00 N ATOM 0 H HIS A 15 -1.142 11.450 -3.986 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.287 13.238 -1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.497 10.198 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.845 10.911 -0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.064 10.614 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.625 12.549 2.819 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.708 11.510 1.745 1.00 0.00 H new ATOM 266 N LYS A 16 2.084 13.089 -2.566 1.00 0.00 N ATOM 267 CA LYS A 16 3.402 13.178 -3.269 1.00 0.00 C ATOM 268 C LYS A 16 4.035 11.787 -3.390 1.00 0.00 C ATOM 269 O LYS A 16 3.939 10.973 -2.492 1.00 0.00 O ATOM 270 CB LYS A 16 4.270 14.097 -2.399 1.00 0.00 C ATOM 271 CG LYS A 16 4.408 13.512 -0.988 1.00 0.00 C ATOM 272 CD LYS A 16 4.400 14.644 0.042 1.00 0.00 C ATOM 273 CE LYS A 16 3.763 14.148 1.342 1.00 0.00 C ATOM 274 NZ LYS A 16 3.006 15.317 1.870 1.00 0.00 N ATOM 0 H LYS A 16 2.022 13.619 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 16 3.299 13.567 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.255 14.214 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.823 15.090 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.590 12.820 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.334 12.942 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.418 14.985 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.844 15.498 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.103 13.300 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.521 13.815 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.540 15.055 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.661 16.107 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.287 15.607 1.177 1.00 0.00 H new ATOM 288 N ASP A 17 4.706 11.526 -4.483 1.00 0.00 N ATOM 289 CA ASP A 17 5.382 10.205 -4.658 1.00 0.00 C ATOM 290 C ASP A 17 6.904 10.376 -4.633 1.00 0.00 C ATOM 291 O ASP A 17 7.629 9.479 -4.245 1.00 0.00 O ATOM 292 CB ASP A 17 4.920 9.705 -6.027 1.00 0.00 C ATOM 293 CG ASP A 17 5.034 8.179 -6.078 1.00 0.00 C ATOM 294 OD1 ASP A 17 4.123 7.521 -5.606 1.00 0.00 O ATOM 295 OD2 ASP A 17 6.032 7.697 -6.588 1.00 0.00 O ATOM 0 H ASP A 17 4.815 12.173 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 17 5.132 9.505 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.889 10.010 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.528 10.152 -6.814 1.00 0.00 H new ATOM 300 N SER A 18 7.389 11.531 -5.017 1.00 0.00 N ATOM 301 CA SER A 18 8.864 11.777 -4.985 1.00 0.00 C ATOM 302 C SER A 18 9.352 11.886 -3.538 1.00 0.00 C ATOM 303 O SER A 18 10.399 11.372 -3.189 1.00 0.00 O ATOM 304 CB SER A 18 9.065 13.103 -5.720 1.00 0.00 C ATOM 305 OG SER A 18 8.438 14.146 -4.984 1.00 0.00 O ATOM 0 H SER A 18 6.827 12.314 -5.351 1.00 0.00 H new ATOM 0 HA SER A 18 9.426 10.966 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.129 13.311 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.642 13.044 -6.723 1.00 0.00 H new ATOM 0 HG SER A 18 8.566 14.998 -5.451 1.00 0.00 H new ATOM 311 N LYS A 19 8.586 12.523 -2.690 1.00 0.00 N ATOM 312 CA LYS A 19 8.981 12.637 -1.254 1.00 0.00 C ATOM 313 C LYS A 19 8.535 11.392 -0.481 1.00 0.00 C ATOM 314 O LYS A 19 9.321 10.762 0.202 1.00 0.00 O ATOM 315 CB LYS A 19 8.251 13.877 -0.739 1.00 0.00 C ATOM 316 CG LYS A 19 8.652 14.140 0.713 1.00 0.00 C ATOM 317 CD LYS A 19 8.624 15.645 0.987 1.00 0.00 C ATOM 318 CE LYS A 19 9.613 15.981 2.105 1.00 0.00 C ATOM 319 NZ LYS A 19 10.938 16.073 1.430 1.00 0.00 N ATOM 0 H LYS A 19 7.702 12.970 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 19 10.061 12.718 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.498 14.740 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.173 13.732 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.970 13.624 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.649 13.744 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.882 16.195 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.618 15.954 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.353 16.920 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.615 15.210 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.668 15.653 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.904 15.559 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.168 17.071 1.252 1.00 0.00 H new ATOM 333 N SER A 20 7.289 11.015 -0.618 1.00 0.00 N ATOM 334 CA SER A 20 6.793 9.786 0.072 1.00 0.00 C ATOM 335 C SER A 20 6.247 8.789 -0.954 1.00 0.00 C ATOM 336 O SER A 20 6.379 8.981 -2.149 1.00 0.00 O ATOM 337 CB SER A 20 5.675 10.272 0.992 1.00 0.00 C ATOM 338 OG SER A 20 6.112 11.433 1.688 1.00 0.00 O ATOM 0 H SER A 20 6.593 11.506 -1.179 1.00 0.00 H new ATOM 0 HA SER A 20 7.582 9.275 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.781 10.497 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.405 9.489 1.701 1.00 0.00 H new ATOM 0 HG SER A 20 5.397 11.749 2.278 1.00 0.00 H new ATOM 344 N THR A 21 5.603 7.745 -0.496 1.00 0.00 N ATOM 345 CA THR A 21 5.006 6.753 -1.440 1.00 0.00 C ATOM 346 C THR A 21 3.829 6.029 -0.778 1.00 0.00 C ATOM 347 O THR A 21 3.988 5.359 0.226 1.00 0.00 O ATOM 348 CB THR A 21 6.138 5.771 -1.766 1.00 0.00 C ATOM 349 OG1 THR A 21 5.652 4.771 -2.649 1.00 0.00 O ATOM 350 CG2 THR A 21 6.650 5.111 -0.480 1.00 0.00 C ATOM 0 H THR A 21 5.465 7.537 0.493 1.00 0.00 H new ATOM 0 HA THR A 21 4.615 7.227 -2.340 1.00 0.00 H new ATOM 0 HB THR A 21 6.957 6.314 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.374 4.143 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.453 4.416 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.026 5.878 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.835 4.570 0.001 1.00 0.00 H new ATOM 358 N TRP A 22 2.662 6.122 -1.362 1.00 0.00 N ATOM 359 CA TRP A 22 1.479 5.401 -0.806 1.00 0.00 C ATOM 360 C TRP A 22 1.208 4.131 -1.618 1.00 0.00 C ATOM 361 O TRP A 22 0.241 4.047 -2.353 1.00 0.00 O ATOM 362 CB TRP A 22 0.317 6.391 -0.936 1.00 0.00 C ATOM 363 CG TRP A 22 0.306 7.325 0.239 1.00 0.00 C ATOM 364 CD1 TRP A 22 1.403 7.873 0.818 1.00 0.00 C ATOM 365 CD2 TRP A 22 -0.841 7.833 0.982 1.00 0.00 C ATOM 366 NE1 TRP A 22 1.000 8.677 1.869 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.372 8.686 2.010 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.228 7.637 0.865 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.249 9.322 2.890 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.113 8.275 1.750 1.00 0.00 C ATOM 371 CH2 TRP A 22 -2.625 9.116 2.760 1.00 0.00 C ATOM 0 H TRP A 22 2.477 6.669 -2.203 1.00 0.00 H new ATOM 0 HA TRP A 22 1.629 5.087 0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.414 6.959 -1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.628 5.851 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.425 7.709 0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.640 9.200 2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.616 6.992 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.867 9.969 3.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.177 8.117 1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.311 9.604 3.436 1.00 0.00 H new ATOM 382 N VAL A 23 2.034 3.129 -1.454 1.00 0.00 N ATOM 383 CA VAL A 23 1.812 1.839 -2.175 1.00 0.00 C ATOM 384 C VAL A 23 0.739 1.018 -1.453 1.00 0.00 C ATOM 385 O VAL A 23 0.748 0.904 -0.241 1.00 0.00 O ATOM 386 CB VAL A 23 3.165 1.118 -2.131 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.057 -0.238 -2.835 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.224 1.967 -2.838 1.00 0.00 C ATOM 0 H VAL A 23 2.855 3.149 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 23 1.468 1.988 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 23 3.451 0.965 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.022 -0.744 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.308 -0.850 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.765 -0.086 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.184 1.452 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.931 2.123 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.312 2.931 -2.337 1.00 0.00 H new ATOM 398 N ILE A 24 -0.149 0.405 -2.192 1.00 0.00 N ATOM 399 CA ILE A 24 -1.188 -0.460 -1.557 1.00 0.00 C ATOM 400 C ILE A 24 -0.769 -1.930 -1.649 1.00 0.00 C ATOM 401 O ILE A 24 -0.307 -2.391 -2.676 1.00 0.00 O ATOM 402 CB ILE A 24 -2.468 -0.201 -2.359 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.851 1.279 -2.247 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.608 -1.061 -1.804 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.442 1.759 -3.574 1.00 0.00 C ATOM 0 H ILE A 24 -0.200 0.466 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.329 -0.238 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.295 -0.457 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.575 1.418 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.974 1.874 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.517 -0.874 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.340 -2.115 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.780 -0.807 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.714 2.811 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.704 1.635 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.330 1.173 -3.810 1.00 0.00 H new ATOM 417 N LEU A 25 -0.956 -2.671 -0.588 1.00 0.00 N ATOM 418 CA LEU A 25 -0.604 -4.122 -0.606 1.00 0.00 C ATOM 419 C LEU A 25 -1.590 -4.905 0.265 1.00 0.00 C ATOM 420 O LEU A 25 -1.753 -4.624 1.435 1.00 0.00 O ATOM 421 CB LEU A 25 0.807 -4.193 -0.018 1.00 0.00 C ATOM 422 CG LEU A 25 1.645 -5.201 -0.808 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.065 -4.583 -2.142 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.892 -5.566 -0.001 1.00 0.00 C ATOM 0 H LEU A 25 -1.339 -2.332 0.294 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.648 -4.551 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.276 -3.210 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.760 -4.487 1.031 1.00 0.00 H new ATOM 0 HG LEU A 25 1.055 -6.098 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.662 -5.301 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.177 -4.320 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.656 -3.686 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.491 -6.284 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.481 -4.668 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.594 -6.007 0.950 1.00 0.00 H new ATOM 436 N HIS A 26 -2.244 -5.896 -0.295 1.00 0.00 N ATOM 437 CA HIS A 26 -3.219 -6.718 0.498 1.00 0.00 C ATOM 438 C HIS A 26 -4.254 -5.813 1.180 1.00 0.00 C ATOM 439 O HIS A 26 -4.427 -5.845 2.383 1.00 0.00 O ATOM 440 CB HIS A 26 -2.379 -7.461 1.541 1.00 0.00 C ATOM 441 CG HIS A 26 -1.401 -8.368 0.845 1.00 0.00 C ATOM 442 ND1 HIS A 26 -1.786 -9.573 0.277 1.00 0.00 N ATOM 443 CD2 HIS A 26 -0.052 -8.259 0.616 1.00 0.00 C ATOM 444 CE1 HIS A 26 -0.688 -10.136 -0.261 1.00 0.00 C ATOM 445 NE2 HIS A 26 0.396 -9.377 -0.083 1.00 0.00 N ATOM 0 H HIS A 26 -2.145 -6.173 -1.272 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.774 -7.410 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.846 -6.747 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.026 -8.042 2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.568 -7.432 0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.684 -11.086 -0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.348 -9.574 -0.393 1.00 0.00 H new ATOM 453 N HIS A 27 -4.967 -5.027 0.407 1.00 0.00 N ATOM 454 CA HIS A 27 -6.028 -4.134 0.978 1.00 0.00 C ATOM 455 C HIS A 27 -5.453 -3.222 2.073 1.00 0.00 C ATOM 456 O HIS A 27 -6.190 -2.660 2.863 1.00 0.00 O ATOM 457 CB HIS A 27 -7.087 -5.076 1.563 1.00 0.00 C ATOM 458 CG HIS A 27 -8.259 -4.273 2.056 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.014 -4.663 3.152 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.818 -3.100 1.615 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.976 -3.741 3.330 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.902 -2.766 2.421 1.00 0.00 N ATOM 0 H HIS A 27 -4.858 -4.965 -0.605 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.446 -3.476 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.414 -5.788 0.805 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.660 -5.656 2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.470 -2.524 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.718 -3.784 4.113 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.510 -1.951 2.336 1.00 0.00 H new ATOM 470 N LYS A 28 -4.159 -3.009 2.077 1.00 0.00 N ATOM 471 CA LYS A 28 -3.556 -2.062 3.066 1.00 0.00 C ATOM 472 C LYS A 28 -2.802 -0.949 2.335 1.00 0.00 C ATOM 473 O LYS A 28 -2.259 -1.156 1.266 1.00 0.00 O ATOM 474 CB LYS A 28 -2.590 -2.906 3.900 1.00 0.00 C ATOM 475 CG LYS A 28 -3.365 -4.012 4.621 1.00 0.00 C ATOM 476 CD LYS A 28 -2.510 -5.280 4.683 1.00 0.00 C ATOM 477 CE LYS A 28 -2.921 -6.115 5.899 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.981 -5.708 6.979 1.00 0.00 N ATOM 0 H LYS A 28 -3.496 -3.449 1.439 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.312 -1.583 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.826 -3.343 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.075 -2.277 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.628 -3.689 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.299 -4.216 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.636 -5.862 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.454 -5.017 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.955 -5.919 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.844 -7.182 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.199 -6.238 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.005 -5.912 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.082 -4.689 7.161 1.00 0.00 H new ATOM 492 N VAL A 29 -2.739 0.221 2.919 1.00 0.00 N ATOM 493 CA VAL A 29 -1.989 1.345 2.279 1.00 0.00 C ATOM 494 C VAL A 29 -0.652 1.545 2.995 1.00 0.00 C ATOM 495 O VAL A 29 -0.602 1.677 4.203 1.00 0.00 O ATOM 496 CB VAL A 29 -2.881 2.581 2.445 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.254 3.761 1.701 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.276 2.304 1.866 1.00 0.00 C ATOM 0 H VAL A 29 -3.175 0.447 3.813 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.770 1.151 1.229 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.972 2.816 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.886 4.642 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.266 3.967 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.163 3.517 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.903 3.187 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.189 2.065 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.728 1.463 2.392 1.00 0.00 H new ATOM 508 N TYR A 30 0.432 1.541 2.261 1.00 0.00 N ATOM 509 CA TYR A 30 1.773 1.700 2.900 1.00 0.00 C ATOM 510 C TYR A 30 2.311 3.119 2.703 1.00 0.00 C ATOM 511 O TYR A 30 2.461 3.581 1.588 1.00 0.00 O ATOM 512 CB TYR A 30 2.680 0.708 2.175 1.00 0.00 C ATOM 513 CG TYR A 30 2.361 -0.700 2.605 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.144 -1.285 2.245 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.292 -1.422 3.360 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.855 -2.596 2.640 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.005 -2.732 3.754 1.00 0.00 C ATOM 518 CZ TYR A 30 1.786 -3.320 3.396 1.00 0.00 C ATOM 519 OH TYR A 30 1.502 -4.613 3.784 1.00 0.00 O ATOM 0 H TYR A 30 0.446 1.434 1.247 1.00 0.00 H new ATOM 0 HA TYR A 30 1.723 1.522 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.549 0.805 1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.724 0.934 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.427 -0.726 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.231 -0.967 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.085 -3.049 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.724 -3.291 4.335 1.00 0.00 H new ATOM 0 HH TYR A 30 2.253 -4.972 4.301 1.00 0.00 H new ATOM 529 N ASP A 31 2.775 3.730 3.763 1.00 0.00 N ATOM 530 CA ASP A 31 3.509 5.023 3.626 1.00 0.00 C ATOM 531 C ASP A 31 5.001 4.764 3.834 1.00 0.00 C ATOM 532 O ASP A 31 5.527 4.948 4.916 1.00 0.00 O ATOM 533 CB ASP A 31 2.955 5.924 4.729 1.00 0.00 C ATOM 534 CG ASP A 31 3.622 7.298 4.651 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.651 7.860 3.569 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.093 7.765 5.675 1.00 0.00 O ATOM 0 H ASP A 31 2.677 3.388 4.719 1.00 0.00 H new ATOM 0 HA ASP A 31 3.383 5.483 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.875 6.026 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.137 5.475 5.705 1.00 0.00 H new ATOM 541 N LEU A 32 5.662 4.247 2.830 1.00 0.00 N ATOM 542 CA LEU A 32 7.101 3.863 2.987 1.00 0.00 C ATOM 543 C LEU A 32 8.012 5.051 2.661 1.00 0.00 C ATOM 544 O LEU A 32 8.985 4.916 1.943 1.00 0.00 O ATOM 545 CB LEU A 32 7.345 2.715 1.987 1.00 0.00 C ATOM 546 CG LEU A 32 6.210 1.670 2.062 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.391 1.708 0.769 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.796 0.266 2.246 1.00 0.00 C ATOM 0 H LEU A 32 5.268 4.073 1.905 1.00 0.00 H new ATOM 0 HA LEU A 32 7.321 3.559 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.410 3.116 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.300 2.237 2.202 1.00 0.00 H new ATOM 0 HG LEU A 32 5.570 1.906 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.591 0.970 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.961 2.701 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.038 1.480 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.987 -0.462 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.444 0.029 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.375 0.231 3.169 1.00 0.00 H new ATOM 560 N THR A 33 7.740 6.198 3.233 1.00 0.00 N ATOM 561 CA THR A 33 8.629 7.380 3.009 1.00 0.00 C ATOM 562 C THR A 33 9.987 7.145 3.673 1.00 0.00 C ATOM 563 O THR A 33 11.024 7.403 3.089 1.00 0.00 O ATOM 564 CB THR A 33 7.907 8.559 3.667 1.00 0.00 C ATOM 565 OG1 THR A 33 6.517 8.482 3.381 1.00 0.00 O ATOM 566 CG2 THR A 33 8.470 9.872 3.120 1.00 0.00 C ATOM 0 H THR A 33 6.942 6.367 3.845 1.00 0.00 H new ATOM 0 HA THR A 33 8.815 7.561 1.950 1.00 0.00 H new ATOM 0 HB THR A 33 8.058 8.522 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.068 9.284 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.956 10.711 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.536 9.931 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.320 9.911 2.041 1.00 0.00 H new ATOM 574 N LYS A 34 9.988 6.604 4.864 1.00 0.00 N ATOM 575 CA LYS A 34 11.280 6.284 5.547 1.00 0.00 C ATOM 576 C LYS A 34 12.066 5.258 4.727 1.00 0.00 C ATOM 577 O LYS A 34 13.284 5.256 4.723 1.00 0.00 O ATOM 578 CB LYS A 34 10.887 5.697 6.905 1.00 0.00 C ATOM 579 CG LYS A 34 12.147 5.408 7.721 1.00 0.00 C ATOM 580 CD LYS A 34 11.761 5.119 9.173 1.00 0.00 C ATOM 581 CE LYS A 34 12.946 4.479 9.899 1.00 0.00 C ATOM 582 NZ LYS A 34 12.449 4.201 11.276 1.00 0.00 N ATOM 0 H LYS A 34 9.149 6.369 5.395 1.00 0.00 H new ATOM 0 HA LYS A 34 11.915 7.163 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.245 6.395 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.314 4.780 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.679 4.555 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.825 6.260 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.470 6.042 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.898 4.453 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.265 3.563 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.806 5.148 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.207 3.761 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.158 5.092 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.635 3.556 11.228 1.00 0.00 H new ATOM 596 N PHE A 35 11.378 4.424 3.988 1.00 0.00 N ATOM 597 CA PHE A 35 12.077 3.438 3.111 1.00 0.00 C ATOM 598 C PHE A 35 12.517 4.118 1.811 1.00 0.00 C ATOM 599 O PHE A 35 13.531 3.772 1.233 1.00 0.00 O ATOM 600 CB PHE A 35 11.033 2.353 2.830 1.00 0.00 C ATOM 601 CG PHE A 35 11.634 1.278 1.955 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.728 0.532 2.412 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.098 1.029 0.687 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.286 -0.462 1.599 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.655 0.033 -0.126 1.00 0.00 C ATOM 606 CZ PHE A 35 12.749 -0.711 0.329 1.00 0.00 C ATOM 0 H PHE A 35 10.359 4.384 3.955 1.00 0.00 H new ATOM 0 HA PHE A 35 12.974 3.026 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.685 1.919 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.164 2.790 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.141 0.724 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.255 1.605 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.130 -1.037 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.240 -0.160 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.180 -1.477 -0.299 1.00 0.00 H new ATOM 616 N LEU A 36 11.782 5.108 1.375 1.00 0.00 N ATOM 617 CA LEU A 36 12.173 5.850 0.135 1.00 0.00 C ATOM 618 C LEU A 36 13.544 6.507 0.325 1.00 0.00 C ATOM 619 O LEU A 36 14.363 6.523 -0.573 1.00 0.00 O ATOM 620 CB LEU A 36 11.092 6.918 -0.053 1.00 0.00 C ATOM 621 CG LEU A 36 10.076 6.446 -1.093 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.921 7.446 -1.167 1.00 0.00 C ATOM 623 CD2 LEU A 36 10.756 6.352 -2.462 1.00 0.00 C ATOM 0 H LEU A 36 10.927 5.436 1.823 1.00 0.00 H new ATOM 0 HA LEU A 36 12.248 5.192 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.592 7.114 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.546 7.856 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 36 9.692 5.467 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.196 7.110 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.438 7.516 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.305 8.425 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.033 6.015 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.139 7.332 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.581 5.641 -2.411 1.00 0.00 H new ATOM 635 N GLU A 37 13.802 7.024 1.500 1.00 0.00 N ATOM 636 CA GLU A 37 15.129 7.656 1.772 1.00 0.00 C ATOM 637 C GLU A 37 16.152 6.597 2.200 1.00 0.00 C ATOM 638 O GLU A 37 17.344 6.775 2.028 1.00 0.00 O ATOM 639 CB GLU A 37 14.869 8.640 2.912 1.00 0.00 C ATOM 640 CG GLU A 37 14.416 9.983 2.335 1.00 0.00 C ATOM 641 CD GLU A 37 13.917 10.883 3.467 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.654 11.064 4.422 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.807 11.377 3.359 1.00 0.00 O ATOM 0 H GLU A 37 13.150 7.036 2.284 1.00 0.00 H new ATOM 0 HA GLU A 37 15.538 8.148 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.105 8.244 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.774 8.774 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.243 10.463 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.623 9.828 1.603 1.00 0.00 H new ATOM 650 N GLU A 38 15.695 5.487 2.726 1.00 0.00 N ATOM 651 CA GLU A 38 16.639 4.401 3.131 1.00 0.00 C ATOM 652 C GLU A 38 17.071 3.592 1.905 1.00 0.00 C ATOM 653 O GLU A 38 18.174 3.083 1.846 1.00 0.00 O ATOM 654 CB GLU A 38 15.846 3.524 4.100 1.00 0.00 C ATOM 655 CG GLU A 38 16.782 2.503 4.749 1.00 0.00 C ATOM 656 CD GLU A 38 17.490 3.145 5.944 1.00 0.00 C ATOM 657 OE1 GLU A 38 16.841 3.882 6.666 1.00 0.00 O ATOM 658 OE2 GLU A 38 18.670 2.887 6.116 1.00 0.00 O ATOM 0 H GLU A 38 14.709 5.287 2.892 1.00 0.00 H new ATOM 0 HA GLU A 38 17.547 4.794 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.378 4.142 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.044 3.011 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.216 1.630 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.516 2.154 4.023 1.00 0.00 H new ATOM 665 N HIS A 39 16.226 3.516 0.909 1.00 0.00 N ATOM 666 CA HIS A 39 16.600 2.792 -0.343 1.00 0.00 C ATOM 667 C HIS A 39 16.492 3.737 -1.551 1.00 0.00 C ATOM 668 O HIS A 39 15.465 3.785 -2.199 1.00 0.00 O ATOM 669 CB HIS A 39 15.589 1.652 -0.460 1.00 0.00 C ATOM 670 CG HIS A 39 15.941 0.570 0.525 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.181 0.839 1.863 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.099 -0.786 0.382 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.467 -0.329 2.467 1.00 0.00 C ATOM 674 NE2 HIS A 39 16.431 -1.352 1.609 1.00 0.00 N ATOM 0 H HIS A 39 15.292 3.925 0.909 1.00 0.00 H new ATOM 0 HA HIS A 39 17.625 2.423 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.582 2.022 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.591 1.251 -1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.983 -1.331 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.698 -0.427 3.518 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.609 -2.336 1.810 1.00 0.00 H new ATOM 682 N PRO A 40 17.556 4.470 -1.821 1.00 0.00 N ATOM 683 CA PRO A 40 17.557 5.422 -2.969 1.00 0.00 C ATOM 684 C PRO A 40 17.133 4.722 -4.267 1.00 0.00 C ATOM 685 O PRO A 40 17.956 4.206 -5.000 1.00 0.00 O ATOM 686 CB PRO A 40 19.012 5.878 -3.057 1.00 0.00 C ATOM 687 CG PRO A 40 19.563 5.675 -1.684 1.00 0.00 C ATOM 688 CD PRO A 40 18.842 4.491 -1.100 1.00 0.00 C ATOM 0 HA PRO A 40 16.857 6.246 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.564 5.296 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.081 6.923 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.637 5.494 -1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.410 6.563 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.401 3.568 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.696 4.602 -0.025 1.00 0.00 H new ATOM 696 N GLY A 41 15.862 4.750 -4.575 1.00 0.00 N ATOM 697 CA GLY A 41 15.382 4.141 -5.851 1.00 0.00 C ATOM 698 C GLY A 41 14.848 5.240 -6.770 1.00 0.00 C ATOM 699 O GLY A 41 15.181 5.299 -7.938 1.00 0.00 O ATOM 0 H GLY A 41 15.134 5.169 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.196 3.606 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.599 3.411 -5.646 1.00 0.00 H new ATOM 703 N GLY A 42 14.055 6.134 -6.237 1.00 0.00 N ATOM 704 CA GLY A 42 13.531 7.265 -7.059 1.00 0.00 C ATOM 705 C GLY A 42 12.053 7.485 -6.739 1.00 0.00 C ATOM 706 O GLY A 42 11.691 7.782 -5.615 1.00 0.00 O ATOM 0 H GLY A 42 13.747 6.129 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.098 8.173 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.656 7.046 -8.120 1.00 0.00 H new ATOM 710 N GLU A 43 11.192 7.291 -7.706 1.00 0.00 N ATOM 711 CA GLU A 43 9.726 7.428 -7.449 1.00 0.00 C ATOM 712 C GLU A 43 9.278 6.389 -6.416 1.00 0.00 C ATOM 713 O GLU A 43 10.075 5.886 -5.648 1.00 0.00 O ATOM 714 CB GLU A 43 9.054 7.172 -8.802 1.00 0.00 C ATOM 715 CG GLU A 43 7.853 8.106 -8.961 1.00 0.00 C ATOM 716 CD GLU A 43 7.706 8.503 -10.431 1.00 0.00 C ATOM 717 OE1 GLU A 43 8.549 9.242 -10.912 1.00 0.00 O ATOM 718 OE2 GLU A 43 6.752 8.061 -11.052 1.00 0.00 O ATOM 0 H GLU A 43 11.441 7.043 -8.664 1.00 0.00 H new ATOM 0 HA GLU A 43 9.465 8.408 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.766 7.337 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.731 6.133 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.946 7.611 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.986 8.995 -8.345 1.00 0.00 H new ATOM 725 N GLU A 44 8.016 6.032 -6.422 1.00 0.00 N ATOM 726 CA GLU A 44 7.524 4.985 -5.475 1.00 0.00 C ATOM 727 C GLU A 44 8.268 3.665 -5.713 1.00 0.00 C ATOM 728 O GLU A 44 7.999 2.945 -6.655 1.00 0.00 O ATOM 729 CB GLU A 44 6.025 4.834 -5.767 1.00 0.00 C ATOM 730 CG GLU A 44 5.807 4.457 -7.238 1.00 0.00 C ATOM 731 CD GLU A 44 4.620 5.244 -7.803 1.00 0.00 C ATOM 732 OE1 GLU A 44 3.527 5.080 -7.286 1.00 0.00 O ATOM 733 OE2 GLU A 44 4.826 5.995 -8.742 1.00 0.00 O ATOM 0 H GLU A 44 7.306 6.421 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 44 7.697 5.260 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.596 4.068 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.508 5.767 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.706 4.672 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.621 3.387 -7.325 1.00 0.00 H new ATOM 740 N VAL A 45 9.198 3.349 -4.852 1.00 0.00 N ATOM 741 CA VAL A 45 9.970 2.073 -4.995 1.00 0.00 C ATOM 742 C VAL A 45 9.032 0.854 -4.819 1.00 0.00 C ATOM 743 O VAL A 45 8.020 0.760 -5.487 1.00 0.00 O ATOM 744 CB VAL A 45 11.058 2.143 -3.907 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.981 3.330 -4.182 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.407 2.315 -2.528 1.00 0.00 C ATOM 0 H VAL A 45 9.460 3.922 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 45 10.417 1.955 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 45 11.635 1.219 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.751 3.379 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.451 3.207 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.400 4.252 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.182 2.364 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.824 3.236 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.752 1.468 -2.327 1.00 0.00 H new ATOM 756 N LEU A 46 9.340 -0.080 -3.933 1.00 0.00 N ATOM 757 CA LEU A 46 8.451 -1.273 -3.735 1.00 0.00 C ATOM 758 C LEU A 46 8.235 -2.016 -5.059 1.00 0.00 C ATOM 759 O LEU A 46 7.428 -1.625 -5.880 1.00 0.00 O ATOM 760 CB LEU A 46 7.125 -0.725 -3.197 1.00 0.00 C ATOM 761 CG LEU A 46 7.163 -0.729 -1.670 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.859 0.540 -1.173 1.00 0.00 C ATOM 763 CD2 LEU A 46 5.734 -0.775 -1.129 1.00 0.00 C ATOM 0 H LEU A 46 10.171 -0.062 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 46 8.895 -1.990 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.960 0.287 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.294 -1.334 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 46 7.713 -1.603 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.886 0.537 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.877 0.572 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.310 1.416 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.757 -0.778 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.185 0.099 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.240 -1.679 -1.484 1.00 0.00 H new ATOM 775 N ARG A 47 8.915 -3.123 -5.237 1.00 0.00 N ATOM 776 CA ARG A 47 8.727 -3.959 -6.469 1.00 0.00 C ATOM 777 C ARG A 47 8.927 -3.128 -7.743 1.00 0.00 C ATOM 778 O ARG A 47 8.510 -3.522 -8.815 1.00 0.00 O ATOM 779 CB ARG A 47 7.289 -4.483 -6.392 1.00 0.00 C ATOM 780 CG ARG A 47 7.179 -5.791 -7.178 1.00 0.00 C ATOM 781 CD ARG A 47 5.710 -6.214 -7.263 1.00 0.00 C ATOM 782 NE ARG A 47 5.043 -5.146 -8.070 1.00 0.00 N ATOM 783 CZ ARG A 47 3.739 -4.957 -8.016 1.00 0.00 C ATOM 784 NH1 ARG A 47 2.962 -5.723 -7.286 1.00 0.00 N ATOM 785 NH2 ARG A 47 3.208 -3.984 -8.706 1.00 0.00 N ATOM 0 H ARG A 47 9.600 -3.488 -4.575 1.00 0.00 H new ATOM 0 HA ARG A 47 9.457 -4.768 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.006 -4.646 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.599 -3.743 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.590 -5.661 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.765 -6.570 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.608 -7.189 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.265 -6.295 -6.271 1.00 0.00 H new ATOM 0 HE ARG A 47 5.609 -4.551 -8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.364 -6.487 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.956 -5.554 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.800 -3.382 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.201 -3.826 -8.674 1.00 0.00 H new ATOM 799 N GLU A 48 9.626 -2.018 -7.650 1.00 0.00 N ATOM 800 CA GLU A 48 9.932 -1.196 -8.870 1.00 0.00 C ATOM 801 C GLU A 48 8.665 -0.942 -9.701 1.00 0.00 C ATOM 802 O GLU A 48 8.731 -0.725 -10.895 1.00 0.00 O ATOM 803 CB GLU A 48 10.934 -2.031 -9.669 1.00 0.00 C ATOM 804 CG GLU A 48 11.756 -1.113 -10.576 1.00 0.00 C ATOM 805 CD GLU A 48 12.984 -1.868 -11.087 1.00 0.00 C ATOM 806 OE1 GLU A 48 13.878 -2.113 -10.294 1.00 0.00 O ATOM 807 OE2 GLU A 48 13.011 -2.188 -12.265 1.00 0.00 O ATOM 0 H GLU A 48 10.000 -1.644 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 48 10.327 -0.215 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.592 -2.575 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.408 -2.775 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.149 -0.775 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.065 -0.223 -10.027 1.00 0.00 H new ATOM 814 N GLN A 49 7.514 -0.949 -9.069 1.00 0.00 N ATOM 815 CA GLN A 49 6.231 -0.690 -9.803 1.00 0.00 C ATOM 816 C GLN A 49 6.097 -1.624 -11.013 1.00 0.00 C ATOM 817 O GLN A 49 5.800 -1.192 -12.110 1.00 0.00 O ATOM 818 CB GLN A 49 6.306 0.771 -10.259 1.00 0.00 C ATOM 819 CG GLN A 49 6.037 1.692 -9.069 1.00 0.00 C ATOM 820 CD GLN A 49 4.592 1.514 -8.600 1.00 0.00 C ATOM 821 OE1 GLN A 49 4.298 0.631 -7.820 1.00 0.00 O ATOM 822 NE2 GLN A 49 3.671 2.323 -9.046 1.00 0.00 N ATOM 0 H GLN A 49 7.407 -1.124 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 49 5.364 -0.873 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.289 0.981 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.576 0.955 -11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.725 1.462 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.213 2.730 -9.352 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.918 3.065 -9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.704 2.214 -8.740 1.00 0.00 H new ATOM 831 N ALA A 50 6.275 -2.904 -10.804 1.00 0.00 N ATOM 832 CA ALA A 50 6.118 -3.880 -11.924 1.00 0.00 C ATOM 833 C ALA A 50 4.666 -4.360 -12.006 1.00 0.00 C ATOM 834 O ALA A 50 3.766 -3.734 -11.477 1.00 0.00 O ATOM 835 CB ALA A 50 7.048 -5.040 -11.572 1.00 0.00 C ATOM 0 H ALA A 50 6.523 -3.316 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 50 6.363 -3.442 -12.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.990 -5.802 -12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.072 -4.675 -11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.746 -5.472 -10.618 1.00 0.00 H new ATOM 841 N GLY A 51 4.441 -5.488 -12.632 1.00 0.00 N ATOM 842 CA GLY A 51 3.056 -6.042 -12.713 1.00 0.00 C ATOM 843 C GLY A 51 3.123 -7.558 -12.900 1.00 0.00 C ATOM 844 O GLY A 51 3.437 -8.045 -13.969 1.00 0.00 O ATOM 0 H GLY A 51 5.158 -6.049 -13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.503 -5.801 -11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.518 -5.586 -13.544 1.00 0.00 H new ATOM 848 N GLY A 52 2.789 -8.304 -11.878 1.00 0.00 N ATOM 849 CA GLY A 52 2.788 -9.792 -11.998 1.00 0.00 C ATOM 850 C GLY A 52 2.453 -10.416 -10.642 1.00 0.00 C ATOM 851 O GLY A 52 3.330 -10.770 -9.879 1.00 0.00 O ATOM 0 H GLY A 52 2.516 -7.945 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.058 -10.106 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.763 -10.140 -12.339 1.00 0.00 H new ATOM 855 N ASP A 53 1.184 -10.588 -10.354 1.00 0.00 N ATOM 856 CA ASP A 53 0.767 -11.233 -9.065 1.00 0.00 C ATOM 857 C ASP A 53 1.417 -10.529 -7.867 1.00 0.00 C ATOM 858 O ASP A 53 2.549 -10.803 -7.515 1.00 0.00 O ATOM 859 CB ASP A 53 1.248 -12.684 -9.160 1.00 0.00 C ATOM 860 CG ASP A 53 0.570 -13.371 -10.346 1.00 0.00 C ATOM 861 OD1 ASP A 53 0.862 -12.994 -11.469 1.00 0.00 O ATOM 862 OD2 ASP A 53 -0.230 -14.262 -10.112 1.00 0.00 O ATOM 0 H ASP A 53 0.413 -10.308 -10.960 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.311 -11.171 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.331 -12.712 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.016 -13.216 -8.237 1.00 0.00 H new ATOM 867 N ALA A 54 0.691 -9.654 -7.217 1.00 0.00 N ATOM 868 CA ALA A 54 1.240 -8.964 -6.011 1.00 0.00 C ATOM 869 C ALA A 54 1.201 -9.903 -4.802 1.00 0.00 C ATOM 870 O ALA A 54 0.157 -10.405 -4.430 1.00 0.00 O ATOM 871 CB ALA A 54 0.323 -7.762 -5.787 1.00 0.00 C ATOM 0 H ALA A 54 -0.260 -9.388 -7.471 1.00 0.00 H new ATOM 0 HA ALA A 54 2.279 -8.662 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.663 -7.203 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.349 -7.116 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.697 -8.108 -5.621 1.00 0.00 H new ATOM 877 N THR A 55 2.327 -10.113 -4.167 1.00 0.00 N ATOM 878 CA THR A 55 2.358 -10.986 -2.954 1.00 0.00 C ATOM 879 C THR A 55 3.546 -10.597 -2.066 1.00 0.00 C ATOM 880 O THR A 55 4.077 -9.509 -2.176 1.00 0.00 O ATOM 881 CB THR A 55 2.521 -12.424 -3.475 1.00 0.00 C ATOM 882 OG1 THR A 55 1.990 -12.533 -4.792 1.00 0.00 O ATOM 883 CG2 THR A 55 1.775 -13.391 -2.553 1.00 0.00 C ATOM 0 H THR A 55 3.227 -9.717 -4.437 1.00 0.00 H new ATOM 0 HA THR A 55 1.454 -10.884 -2.354 1.00 0.00 H new ATOM 0 HB THR A 55 3.582 -12.673 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.100 -13.452 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.891 -14.410 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.185 -13.322 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.717 -13.131 -2.533 1.00 0.00 H new ATOM 891 N GLU A 56 3.989 -11.492 -1.218 1.00 0.00 N ATOM 892 CA GLU A 56 5.173 -11.194 -0.355 1.00 0.00 C ATOM 893 C GLU A 56 6.476 -11.457 -1.119 1.00 0.00 C ATOM 894 O GLU A 56 7.506 -10.885 -0.814 1.00 0.00 O ATOM 895 CB GLU A 56 5.046 -12.151 0.831 1.00 0.00 C ATOM 896 CG GLU A 56 3.765 -11.835 1.608 1.00 0.00 C ATOM 897 CD GLU A 56 3.192 -13.127 2.194 1.00 0.00 C ATOM 898 OE1 GLU A 56 2.643 -13.907 1.433 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.313 -13.314 3.394 1.00 0.00 O ATOM 0 H GLU A 56 3.581 -12.417 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 56 5.199 -10.151 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.025 -13.182 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.913 -12.055 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.977 -11.124 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.034 -11.366 0.949 1.00 0.00 H new ATOM 906 N ASN A 57 6.432 -12.295 -2.126 1.00 0.00 N ATOM 907 CA ASN A 57 7.662 -12.571 -2.933 1.00 0.00 C ATOM 908 C ASN A 57 8.170 -11.290 -3.611 1.00 0.00 C ATOM 909 O ASN A 57 9.324 -11.200 -3.987 1.00 0.00 O ATOM 910 CB ASN A 57 7.235 -13.604 -3.984 1.00 0.00 C ATOM 911 CG ASN A 57 6.097 -13.044 -4.847 1.00 0.00 C ATOM 912 OD1 ASN A 57 5.524 -12.018 -4.535 1.00 0.00 O ATOM 913 ND2 ASN A 57 5.742 -13.682 -5.929 1.00 0.00 N ATOM 0 H ASN A 57 5.597 -12.800 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 57 8.478 -12.937 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.085 -13.864 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.911 -14.521 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.986 -13.320 -6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.221 -14.543 -6.194 1.00 0.00 H new ATOM 920 N PHE A 58 7.326 -10.296 -3.758 1.00 0.00 N ATOM 921 CA PHE A 58 7.771 -9.018 -4.395 1.00 0.00 C ATOM 922 C PHE A 58 8.905 -8.374 -3.578 1.00 0.00 C ATOM 923 O PHE A 58 9.568 -9.029 -2.796 1.00 0.00 O ATOM 924 CB PHE A 58 6.504 -8.127 -4.457 1.00 0.00 C ATOM 925 CG PHE A 58 6.243 -7.400 -3.145 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.392 -8.062 -1.918 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.853 -6.055 -3.167 1.00 0.00 C ATOM 928 CE1 PHE A 58 6.149 -7.380 -0.719 1.00 0.00 C ATOM 929 CE2 PHE A 58 5.611 -5.373 -1.967 1.00 0.00 C ATOM 930 CZ PHE A 58 5.759 -6.036 -0.744 1.00 0.00 C ATOM 0 H PHE A 58 6.349 -10.316 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 58 8.182 -9.169 -5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.615 -7.397 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.641 -8.744 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.694 -9.099 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.739 -5.542 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.263 -7.891 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.310 -4.336 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.572 -5.511 0.181 1.00 0.00 H new ATOM 940 N GLU A 59 9.101 -7.085 -3.727 1.00 0.00 N ATOM 941 CA GLU A 59 10.156 -6.368 -2.934 1.00 0.00 C ATOM 942 C GLU A 59 11.516 -7.061 -3.091 1.00 0.00 C ATOM 943 O GLU A 59 11.813 -8.023 -2.408 1.00 0.00 O ATOM 944 CB GLU A 59 9.686 -6.431 -1.477 1.00 0.00 C ATOM 945 CG GLU A 59 10.253 -5.238 -0.706 1.00 0.00 C ATOM 946 CD GLU A 59 10.189 -5.522 0.795 1.00 0.00 C ATOM 947 OE1 GLU A 59 9.175 -5.205 1.395 1.00 0.00 O ATOM 948 OE2 GLU A 59 11.154 -6.053 1.319 1.00 0.00 O ATOM 0 H GLU A 59 8.573 -6.493 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 59 10.286 -5.340 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.597 -6.421 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.014 -7.364 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.284 -5.053 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.686 -4.337 -0.941 1.00 0.00 H new ATOM 955 N ASP A 60 12.353 -6.552 -3.959 1.00 0.00 N ATOM 956 CA ASP A 60 13.712 -7.148 -4.136 1.00 0.00 C ATOM 957 C ASP A 60 14.634 -6.710 -2.994 1.00 0.00 C ATOM 958 O ASP A 60 15.531 -7.433 -2.600 1.00 0.00 O ATOM 959 CB ASP A 60 14.217 -6.602 -5.473 1.00 0.00 C ATOM 960 CG ASP A 60 15.551 -7.263 -5.823 1.00 0.00 C ATOM 961 OD1 ASP A 60 15.526 -8.392 -6.286 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.574 -6.630 -5.625 1.00 0.00 O ATOM 0 H ASP A 60 12.153 -5.748 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 60 13.688 -8.238 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.486 -6.797 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.339 -5.521 -5.413 1.00 0.00 H new ATOM 967 N VAL A 61 14.394 -5.550 -2.439 1.00 0.00 N ATOM 968 CA VAL A 61 15.225 -5.076 -1.292 1.00 0.00 C ATOM 969 C VAL A 61 14.338 -4.394 -0.243 1.00 0.00 C ATOM 970 O VAL A 61 13.399 -3.695 -0.572 1.00 0.00 O ATOM 971 CB VAL A 61 16.221 -4.083 -1.906 1.00 0.00 C ATOM 972 CG1 VAL A 61 15.468 -2.924 -2.568 1.00 0.00 C ATOM 973 CG2 VAL A 61 17.138 -3.532 -0.810 1.00 0.00 C ATOM 0 H VAL A 61 13.656 -4.909 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 61 15.737 -5.892 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 61 16.817 -4.599 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.184 -2.225 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.820 -3.313 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.864 -2.409 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.845 -2.827 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.538 -3.023 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.685 -4.353 -0.346 1.00 0.00 H new ATOM 983 N GLY A 62 14.657 -4.564 1.016 1.00 0.00 N ATOM 984 CA GLY A 62 13.865 -3.898 2.092 1.00 0.00 C ATOM 985 C GLY A 62 14.791 -3.520 3.249 1.00 0.00 C ATOM 986 O GLY A 62 14.953 -2.358 3.569 1.00 0.00 O ATOM 0 H GLY A 62 15.434 -5.137 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.375 -3.007 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.079 -4.565 2.445 1.00 0.00 H new ATOM 990 N HIS A 63 15.428 -4.492 3.851 1.00 0.00 N ATOM 991 CA HIS A 63 16.382 -4.194 4.961 1.00 0.00 C ATOM 992 C HIS A 63 17.528 -5.209 4.959 1.00 0.00 C ATOM 993 O HIS A 63 17.547 -6.135 4.171 1.00 0.00 O ATOM 994 CB HIS A 63 15.554 -4.324 6.240 1.00 0.00 C ATOM 995 CG HIS A 63 16.044 -3.331 7.258 1.00 0.00 C ATOM 996 ND1 HIS A 63 16.579 -3.724 8.475 1.00 0.00 N ATOM 997 CD2 HIS A 63 16.087 -1.959 7.255 1.00 0.00 C ATOM 998 CE1 HIS A 63 16.918 -2.609 9.148 1.00 0.00 C ATOM 999 NE2 HIS A 63 16.639 -1.505 8.449 1.00 0.00 N ATOM 0 H HIS A 63 15.328 -5.481 3.621 1.00 0.00 H new ATOM 0 HA HIS A 63 16.832 -3.206 4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.500 -4.149 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 63 15.634 -5.336 6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.744 -1.328 6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 63 17.361 -2.607 10.133 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.797 -0.537 8.730 1.00 0.00 H new ATOM 1007 N SER A 64 18.464 -5.061 5.863 1.00 0.00 N ATOM 1008 CA SER A 64 19.591 -6.036 5.950 1.00 0.00 C ATOM 1009 C SER A 64 19.507 -6.829 7.257 1.00 0.00 C ATOM 1010 O SER A 64 20.513 -7.176 7.846 1.00 0.00 O ATOM 1011 CB SER A 64 20.858 -5.181 5.921 1.00 0.00 C ATOM 1012 OG SER A 64 20.721 -4.174 4.928 1.00 0.00 O ATOM 0 H SER A 64 18.495 -4.304 6.546 1.00 0.00 H new ATOM 0 HA SER A 64 19.571 -6.763 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 64 21.026 -4.725 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.726 -5.804 5.707 1.00 0.00 H new ATOM 0 HG SER A 64 21.531 -3.622 4.907 1.00 0.00 H new ATOM 1018 N THR A 65 18.314 -7.147 7.692 1.00 0.00 N ATOM 1019 CA THR A 65 18.155 -7.957 8.938 1.00 0.00 C ATOM 1020 C THR A 65 17.382 -9.245 8.638 1.00 0.00 C ATOM 1021 O THR A 65 16.781 -9.388 7.589 1.00 0.00 O ATOM 1022 CB THR A 65 17.368 -7.062 9.903 1.00 0.00 C ATOM 1023 OG1 THR A 65 17.143 -7.765 11.117 1.00 0.00 O ATOM 1024 CG2 THR A 65 16.022 -6.672 9.283 1.00 0.00 C ATOM 0 H THR A 65 17.441 -6.880 7.237 1.00 0.00 H new ATOM 0 HA THR A 65 19.115 -8.257 9.359 1.00 0.00 H new ATOM 0 HB THR A 65 17.943 -6.157 10.100 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.642 -7.195 11.737 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.472 -6.037 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.193 -6.130 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.442 -7.572 9.077 1.00 0.00 H new ATOM 1032 N ASP A 66 17.363 -10.165 9.568 1.00 0.00 N ATOM 1033 CA ASP A 66 16.594 -11.429 9.365 1.00 0.00 C ATOM 1034 C ASP A 66 15.458 -11.527 10.387 1.00 0.00 C ATOM 1035 O ASP A 66 15.042 -12.608 10.762 1.00 0.00 O ATOM 1036 CB ASP A 66 17.610 -12.550 9.583 1.00 0.00 C ATOM 1037 CG ASP A 66 18.214 -12.962 8.239 1.00 0.00 C ATOM 1038 OD1 ASP A 66 17.464 -13.416 7.390 1.00 0.00 O ATOM 1039 OD2 ASP A 66 19.414 -12.817 8.082 1.00 0.00 O ATOM 0 H ASP A 66 17.849 -10.095 10.462 1.00 0.00 H new ATOM 0 HA ASP A 66 16.137 -11.480 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.396 -12.216 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.127 -13.406 10.054 1.00 0.00 H new ATOM 1044 N ALA A 67 14.931 -10.406 10.808 1.00 0.00 N ATOM 1045 CA ALA A 67 13.790 -10.424 11.771 1.00 0.00 C ATOM 1046 C ALA A 67 12.467 -10.608 11.023 1.00 0.00 C ATOM 1047 O ALA A 67 11.863 -11.664 11.065 1.00 0.00 O ATOM 1048 CB ALA A 67 13.830 -9.059 12.460 1.00 0.00 C ATOM 0 H ALA A 67 15.243 -9.477 10.525 1.00 0.00 H new ATOM 0 HA ALA A 67 13.867 -11.244 12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.019 -8.994 13.186 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.785 -8.937 12.971 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.714 -8.272 11.715 1.00 0.00 H new ATOM 1054 N ARG A 68 12.036 -9.600 10.307 1.00 0.00 N ATOM 1055 CA ARG A 68 10.777 -9.722 9.513 1.00 0.00 C ATOM 1056 C ARG A 68 10.900 -8.943 8.201 1.00 0.00 C ATOM 1057 O ARG A 68 11.944 -8.403 7.888 1.00 0.00 O ATOM 1058 CB ARG A 68 9.691 -9.110 10.400 1.00 0.00 C ATOM 1059 CG ARG A 68 9.567 -9.923 11.690 1.00 0.00 C ATOM 1060 CD ARG A 68 8.360 -9.428 12.493 1.00 0.00 C ATOM 1061 NE ARG A 68 8.744 -8.063 12.969 1.00 0.00 N ATOM 1062 CZ ARG A 68 8.143 -7.501 14.000 1.00 0.00 C ATOM 1063 NH1 ARG A 68 7.151 -8.093 14.625 1.00 0.00 N ATOM 1064 NH2 ARG A 68 8.541 -6.326 14.407 1.00 0.00 N ATOM 0 H ARG A 68 12.503 -8.696 10.239 1.00 0.00 H new ATOM 0 HA ARG A 68 10.554 -10.755 9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.938 -8.074 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.738 -9.100 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.452 -10.981 11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.476 -9.825 12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.463 -9.392 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.144 -10.092 13.330 1.00 0.00 H new ATOM 0 HE ARG A 68 9.486 -7.556 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.828 -9.010 14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.704 -7.636 15.420 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.308 -5.854 13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.085 -5.880 15.203 1.00 0.00 H new ATOM 1078 N GLU A 69 9.829 -8.849 7.455 1.00 0.00 N ATOM 1079 CA GLU A 69 9.862 -8.067 6.183 1.00 0.00 C ATOM 1080 C GLU A 69 9.668 -6.577 6.473 1.00 0.00 C ATOM 1081 O GLU A 69 9.391 -6.186 7.591 1.00 0.00 O ATOM 1082 CB GLU A 69 8.695 -8.609 5.355 1.00 0.00 C ATOM 1083 CG GLU A 69 8.982 -10.057 4.955 1.00 0.00 C ATOM 1084 CD GLU A 69 8.442 -11.001 6.030 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.362 -10.736 6.535 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.115 -11.973 6.331 1.00 0.00 O ATOM 0 H GLU A 69 8.931 -9.281 7.673 1.00 0.00 H new ATOM 0 HA GLU A 69 10.814 -8.167 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.771 -8.556 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.551 -7.996 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.517 -10.279 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.055 -10.205 4.832 1.00 0.00 H new ATOM 1093 N LEU A 70 9.775 -5.749 5.465 1.00 0.00 N ATOM 1094 CA LEU A 70 9.557 -4.285 5.663 1.00 0.00 C ATOM 1095 C LEU A 70 8.082 -3.935 5.446 1.00 0.00 C ATOM 1096 O LEU A 70 7.560 -3.013 6.045 1.00 0.00 O ATOM 1097 CB LEU A 70 10.430 -3.607 4.607 1.00 0.00 C ATOM 1098 CG LEU A 70 10.486 -2.103 4.880 1.00 0.00 C ATOM 1099 CD1 LEU A 70 11.645 -1.799 5.831 1.00 0.00 C ATOM 1100 CD2 LEU A 70 10.700 -1.356 3.562 1.00 0.00 C ATOM 0 H LEU A 70 10.005 -6.025 4.510 1.00 0.00 H new ATOM 0 HA LEU A 70 9.814 -3.963 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.435 -4.028 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.025 -3.792 3.612 1.00 0.00 H new ATOM 0 HG LEU A 70 9.549 -1.781 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.685 -0.727 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.495 -2.333 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.582 -2.120 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.740 -0.284 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.637 -1.679 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.875 -1.572 2.883 1.00 0.00 H new ATOM 1112 N SER A 71 7.399 -4.691 4.623 1.00 0.00 N ATOM 1113 CA SER A 71 5.943 -4.434 4.398 1.00 0.00 C ATOM 1114 C SER A 71 5.131 -4.903 5.612 1.00 0.00 C ATOM 1115 O SER A 71 4.420 -5.888 5.552 1.00 0.00 O ATOM 1116 CB SER A 71 5.579 -5.252 3.158 1.00 0.00 C ATOM 1117 OG SER A 71 6.141 -6.553 3.270 1.00 0.00 O ATOM 0 H SER A 71 7.786 -5.475 4.097 1.00 0.00 H new ATOM 0 HA SER A 71 5.727 -3.374 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.496 -5.319 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.952 -4.758 2.261 1.00 0.00 H new ATOM 0 HG SER A 71 5.762 -7.007 4.051 1.00 0.00 H new ATOM 1123 N LYS A 72 5.204 -4.175 6.698 1.00 0.00 N ATOM 1124 CA LYS A 72 4.406 -4.540 7.908 1.00 0.00 C ATOM 1125 C LYS A 72 4.450 -3.405 8.935 1.00 0.00 C ATOM 1126 O LYS A 72 3.452 -3.072 9.547 1.00 0.00 O ATOM 1127 CB LYS A 72 5.082 -5.793 8.468 1.00 0.00 C ATOM 1128 CG LYS A 72 4.057 -6.620 9.248 1.00 0.00 C ATOM 1129 CD LYS A 72 4.091 -6.218 10.723 1.00 0.00 C ATOM 1130 CE LYS A 72 2.702 -6.406 11.337 1.00 0.00 C ATOM 1131 NZ LYS A 72 2.797 -5.801 12.694 1.00 0.00 N ATOM 0 H LYS A 72 5.783 -3.342 6.799 1.00 0.00 H new ATOM 0 HA LYS A 72 3.356 -4.714 7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.502 -6.387 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.910 -5.512 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.059 -6.460 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.277 -7.683 9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.822 -6.824 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.405 -5.179 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.936 -5.914 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.434 -7.461 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.881 -5.891 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.530 -6.294 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.046 -4.795 12.609 1.00 0.00 H new ATOM 1145 N THR A 73 5.594 -2.793 9.106 1.00 0.00 N ATOM 1146 CA THR A 73 5.707 -1.656 10.069 1.00 0.00 C ATOM 1147 C THR A 73 5.591 -0.314 9.337 1.00 0.00 C ATOM 1148 O THR A 73 5.221 0.687 9.922 1.00 0.00 O ATOM 1149 CB THR A 73 7.095 -1.806 10.695 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.074 -1.842 9.667 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.154 -3.102 11.505 1.00 0.00 C ATOM 0 H THR A 73 6.457 -3.033 8.619 1.00 0.00 H new ATOM 0 HA THR A 73 4.914 -1.673 10.817 1.00 0.00 H new ATOM 0 HB THR A 73 7.291 -0.960 11.354 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.166 -0.950 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.143 -3.208 11.950 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.402 -3.073 12.294 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.959 -3.950 10.849 1.00 0.00 H new ATOM 1159 N TYR A 74 5.878 -0.290 8.058 1.00 0.00 N ATOM 1160 CA TYR A 74 5.756 0.980 7.281 1.00 0.00 C ATOM 1161 C TYR A 74 4.351 1.107 6.686 1.00 0.00 C ATOM 1162 O TYR A 74 4.188 1.418 5.521 1.00 0.00 O ATOM 1163 CB TYR A 74 6.799 0.864 6.167 1.00 0.00 C ATOM 1164 CG TYR A 74 8.184 0.858 6.768 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.709 -0.324 7.303 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.944 2.034 6.787 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.994 -0.330 7.859 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.229 2.027 7.344 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.754 0.845 7.879 1.00 0.00 C ATOM 1170 OH TYR A 74 12.020 0.838 8.427 1.00 0.00 O ATOM 0 H TYR A 74 6.192 -1.097 7.519 1.00 0.00 H new ATOM 0 HA TYR A 74 5.917 1.860 7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.636 -0.050 5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.697 1.697 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.123 -1.231 7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.540 2.946 6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.399 -1.242 8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.815 2.934 7.361 1.00 0.00 H new ATOM 0 HH TYR A 74 12.411 1.734 8.359 1.00 0.00 H new ATOM 1180 N ILE A 75 3.335 0.904 7.488 1.00 0.00 N ATOM 1181 CA ILE A 75 1.935 1.052 6.981 1.00 0.00 C ATOM 1182 C ILE A 75 1.223 2.188 7.724 1.00 0.00 C ATOM 1183 O ILE A 75 1.692 2.664 8.741 1.00 0.00 O ATOM 1184 CB ILE A 75 1.250 -0.290 7.265 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.031 -1.424 6.591 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.172 -0.262 6.703 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.500 -2.771 7.083 1.00 0.00 C ATOM 0 H ILE A 75 3.414 0.643 8.471 1.00 0.00 H new ATOM 0 HA ILE A 75 1.909 1.297 5.919 1.00 0.00 H new ATOM 0 HB ILE A 75 1.221 -0.457 8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.931 -1.355 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.093 -1.334 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.661 -1.215 6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.735 0.542 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.135 -0.093 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.055 -3.578 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.623 -2.838 8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.443 -2.859 6.832 1.00 0.00 H new ATOM 1199 N ILE A 76 0.092 2.618 7.224 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.662 3.722 7.899 1.00 0.00 C ATOM 1201 C ILE A 76 -2.122 3.317 8.148 1.00 0.00 C ATOM 1202 O ILE A 76 -2.699 3.660 9.163 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.588 4.914 6.934 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.134 4.513 5.552 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.870 5.358 6.801 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.111 5.719 4.610 1.00 0.00 C ATOM 0 H ILE A 76 -0.343 2.253 6.377 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.238 3.961 8.874 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.191 5.733 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.534 3.704 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.152 4.137 5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.932 6.205 6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.251 5.653 7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.467 4.533 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.499 5.426 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.731 6.515 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.087 6.076 4.501 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.714 2.580 7.243 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.125 2.137 7.434 1.00 0.00 C ATOM 1220 C GLY A 77 -4.525 1.213 6.284 1.00 0.00 C ATOM 1221 O GLY A 77 -3.683 0.613 5.643 1.00 0.00 O ATOM 0 H GLY A 77 -2.277 2.265 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.229 1.617 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.788 3.001 7.469 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.797 1.134 5.988 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.247 0.295 4.838 1.00 0.00 C ATOM 1227 C GLU A 78 -7.103 1.124 3.878 1.00 0.00 C ATOM 1228 O GLU A 78 -7.368 2.288 4.116 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.081 -0.824 5.459 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.166 -1.977 5.875 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.006 -3.103 6.483 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.099 -3.331 5.991 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.542 -3.715 7.430 1.00 0.00 O ATOM 0 H GLU A 78 -6.542 1.614 6.493 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.406 -0.093 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.625 -0.448 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.825 -1.176 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.614 -2.347 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.429 -1.628 6.598 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.580 0.515 2.821 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.469 1.245 1.868 1.00 0.00 C ATOM 1242 C LEU A 79 -9.924 0.803 2.057 1.00 0.00 C ATOM 1243 O LEU A 79 -10.198 -0.202 2.685 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.966 0.857 0.477 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.645 1.736 -0.577 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.659 2.035 -1.709 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.865 1.005 -1.143 1.00 0.00 C ATOM 0 H LEU A 79 -7.391 -0.457 2.577 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.442 2.324 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.884 0.977 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.180 -0.194 0.282 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.963 2.672 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.144 2.661 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.791 2.557 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.339 1.100 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.348 1.631 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.548 0.068 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.569 0.795 -0.338 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.851 1.527 1.484 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.289 1.133 1.588 1.00 0.00 C ATOM 1261 C HIS A 80 -12.608 0.020 0.572 1.00 0.00 C ATOM 1262 O HIS A 80 -12.516 0.243 -0.619 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.072 2.403 1.248 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.446 2.322 1.853 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.103 1.117 2.041 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.301 3.291 2.319 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.297 1.386 2.597 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.470 2.697 2.788 1.00 0.00 N ATOM 0 H HIS A 80 -10.674 2.376 0.947 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.542 0.748 2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.547 3.279 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.145 2.519 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.098 4.352 2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.027 0.634 2.857 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.283 3.163 3.191 1.00 0.00 H new ATOM 1276 N PRO A 81 -12.975 -1.153 1.062 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.301 -2.287 0.149 1.00 0.00 C ATOM 1278 C PRO A 81 -14.348 -1.876 -0.897 1.00 0.00 C ATOM 1279 O PRO A 81 -14.425 -2.450 -1.966 1.00 0.00 O ATOM 1280 CB PRO A 81 -13.873 -3.350 1.086 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.292 -3.034 2.424 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.117 -1.541 2.477 1.00 0.00 C ATOM 0 HA PRO A 81 -12.434 -2.631 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.962 -3.312 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.596 -4.353 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.951 -3.375 3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.337 -3.541 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.975 -1.054 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.238 -1.262 3.059 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.140 -0.875 -0.599 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.170 -0.407 -1.581 1.00 0.00 C ATOM 1292 C ASP A 82 -15.503 0.034 -2.889 1.00 0.00 C ATOM 1293 O ASP A 82 -15.889 -0.389 -3.963 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.860 0.780 -0.907 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.267 0.948 -1.484 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -19.176 0.315 -0.972 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.412 1.707 -2.428 1.00 0.00 O ATOM 0 H ASP A 82 -15.118 -0.361 0.282 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.876 -1.197 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.914 0.619 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.280 1.689 -1.065 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.492 0.861 -2.802 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.779 1.310 -4.036 1.00 0.00 C ATOM 1304 C ASP A 83 -12.785 0.239 -4.495 1.00 0.00 C ATOM 1305 O ASP A 83 -12.602 0.019 -5.678 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.042 2.586 -3.625 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.057 3.652 -3.210 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.679 3.478 -2.176 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -14.196 4.624 -3.934 1.00 0.00 O ATOM 0 H ASP A 83 -14.129 1.245 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.463 1.483 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.362 2.376 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.435 2.950 -4.453 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.179 -0.459 -3.567 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.235 -1.559 -3.944 1.00 0.00 C ATOM 1316 C ARG A 84 -11.970 -2.625 -4.762 1.00 0.00 C ATOM 1317 O ARG A 84 -11.676 -2.839 -5.923 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.745 -2.144 -2.618 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.604 -3.128 -2.885 1.00 0.00 C ATOM 1320 CD ARG A 84 -8.967 -3.546 -1.556 1.00 0.00 C ATOM 1321 NE ARG A 84 -8.752 -5.021 -1.678 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.763 -5.866 -1.669 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -11.002 -5.456 -1.510 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -9.529 -7.141 -1.822 1.00 0.00 N ATOM 0 H ARG A 84 -12.296 -0.315 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.408 -1.199 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.404 -1.345 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.564 -2.650 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.982 -4.005 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.856 -2.667 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.026 -3.022 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.618 -3.310 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.802 -5.381 -1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.199 -4.462 -1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.766 -6.131 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.572 -7.473 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.303 -7.806 -1.817 1.00 0.00 H new ATOM 1338 N SER A 85 -12.972 -3.236 -4.182 1.00 0.00 N ATOM 1339 CA SER A 85 -13.791 -4.229 -4.945 1.00 0.00 C ATOM 1340 C SER A 85 -14.507 -3.525 -6.105 1.00 0.00 C ATOM 1341 O SER A 85 -14.054 -2.502 -6.585 1.00 0.00 O ATOM 1342 CB SER A 85 -14.796 -4.779 -3.928 1.00 0.00 C ATOM 1343 OG SER A 85 -15.631 -5.736 -4.565 1.00 0.00 O ATOM 0 H SER A 85 -13.259 -3.091 -3.214 1.00 0.00 H new ATOM 0 HA SER A 85 -13.190 -5.027 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.270 -5.238 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.399 -3.968 -3.519 1.00 0.00 H new ATOM 0 HG SER A 85 -16.274 -6.092 -3.917 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.653 -4.019 -6.512 1.00 0.00 N ATOM 1350 CA LYS A 86 -16.430 -3.331 -7.580 1.00 0.00 C ATOM 1351 C LYS A 86 -17.813 -2.936 -7.027 1.00 0.00 C ATOM 1352 O LYS A 86 -17.913 -1.997 -6.262 1.00 0.00 O ATOM 1353 CB LYS A 86 -16.515 -4.349 -8.724 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.312 -3.752 -9.886 1.00 0.00 C ATOM 1355 CD LYS A 86 -16.398 -2.856 -10.724 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.434 -1.429 -10.173 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.406 -0.551 -11.375 1.00 0.00 N ATOM 0 H LYS A 86 -16.080 -4.870 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.972 -2.407 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.513 -4.620 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.993 -5.264 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.725 -4.549 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.155 -3.175 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.378 -3.239 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.720 -2.863 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.332 -1.258 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.581 -1.235 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.428 0.445 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.537 -0.731 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.234 -0.753 -11.972 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.864 -3.675 -7.329 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.198 -3.355 -6.733 1.00 0.00 C ATOM 1373 C ILE A 87 -20.928 -4.650 -6.362 1.00 0.00 C ATOM 1374 O ILE A 87 -22.090 -4.828 -6.674 1.00 0.00 O ATOM 1375 CB ILE A 87 -20.968 -2.604 -7.827 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.168 -1.376 -8.303 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -22.325 -2.153 -7.278 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -19.935 -0.396 -7.145 1.00 0.00 C ATOM 0 H ILE A 87 -18.850 -4.478 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.108 -2.760 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.118 -3.273 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.210 -1.697 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -20.707 -0.875 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -22.873 -1.619 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -22.898 -3.025 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -22.171 -1.493 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -19.368 0.463 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.895 -0.060 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.376 -0.895 -6.353 1.00 0.00 H new ATOM 1390 N ALA A 88 -20.263 -5.535 -5.664 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.922 -6.802 -5.226 1.00 0.00 C ATOM 1392 C ALA A 88 -21.750 -6.557 -3.962 1.00 0.00 C ATOM 1393 O ALA A 88 -21.292 -5.935 -3.021 1.00 0.00 O ATOM 1394 CB ALA A 88 -19.773 -7.768 -4.937 1.00 0.00 C ATOM 0 H ALA A 88 -19.289 -5.434 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.603 -7.195 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.177 -8.726 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.184 -7.914 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.138 -7.354 -4.154 1.00 0.00 H new ATOM 1400 N LYS A 89 -22.950 -7.079 -3.919 1.00 0.00 N ATOM 1401 CA LYS A 89 -23.799 -6.924 -2.702 1.00 0.00 C ATOM 1402 C LYS A 89 -25.025 -7.848 -2.788 1.00 0.00 C ATOM 1403 O LYS A 89 -25.470 -8.174 -3.871 1.00 0.00 O ATOM 1404 CB LYS A 89 -24.229 -5.450 -2.690 1.00 0.00 C ATOM 1405 CG LYS A 89 -24.969 -5.105 -3.989 1.00 0.00 C ATOM 1406 CD LYS A 89 -26.079 -4.094 -3.691 1.00 0.00 C ATOM 1407 CE LYS A 89 -26.714 -3.632 -5.004 1.00 0.00 C ATOM 1408 NZ LYS A 89 -28.100 -3.227 -4.639 1.00 0.00 N ATOM 0 H LYS A 89 -23.379 -7.608 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 89 -23.263 -7.193 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.875 -5.259 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.354 -4.809 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -24.272 -4.692 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -25.393 -6.007 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -26.835 -4.546 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -25.672 -3.239 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -26.161 -2.799 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -26.718 -4.433 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -28.601 -2.897 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -28.604 -4.041 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -28.064 -2.459 -3.939 1.00 0.00 H new ATOM 1422 N PRO A 90 -25.540 -8.245 -1.640 1.00 0.00 N ATOM 1423 CA PRO A 90 -26.733 -9.142 -1.606 1.00 0.00 C ATOM 1424 C PRO A 90 -27.862 -8.597 -2.491 1.00 0.00 C ATOM 1425 O PRO A 90 -28.011 -7.400 -2.654 1.00 0.00 O ATOM 1426 CB PRO A 90 -27.152 -9.125 -0.138 1.00 0.00 C ATOM 1427 CG PRO A 90 -25.911 -8.774 0.619 1.00 0.00 C ATOM 1428 CD PRO A 90 -25.073 -7.910 -0.286 1.00 0.00 C ATOM 0 HA PRO A 90 -26.515 -10.142 -1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -27.941 -8.394 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.541 -10.095 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.157 -8.244 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.367 -9.674 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -25.213 -6.851 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.010 -8.122 -0.167 1.00 0.00 H new ATOM 1436 N SER A 91 -28.677 -9.469 -3.029 1.00 0.00 N ATOM 1437 CA SER A 91 -29.825 -9.011 -3.867 1.00 0.00 C ATOM 1438 C SER A 91 -30.877 -10.117 -3.972 1.00 0.00 C ATOM 1439 O SER A 91 -30.603 -11.273 -3.706 1.00 0.00 O ATOM 1440 CB SER A 91 -29.221 -8.713 -5.239 1.00 0.00 C ATOM 1441 OG SER A 91 -28.311 -7.628 -5.124 1.00 0.00 O ATOM 0 H SER A 91 -28.596 -10.480 -2.923 1.00 0.00 H new ATOM 0 HA SER A 91 -30.323 -8.139 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 91 -28.707 -9.595 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.009 -8.468 -5.951 1.00 0.00 H new ATOM 0 HG SER A 91 -28.488 -7.139 -4.293 1.00 0.00 H new ATOM 1447 N GLU A 92 -32.068 -9.777 -4.397 1.00 0.00 N ATOM 1448 CA GLU A 92 -33.133 -10.810 -4.567 1.00 0.00 C ATOM 1449 C GLU A 92 -33.775 -10.686 -5.952 1.00 0.00 C ATOM 1450 O GLU A 92 -33.523 -9.742 -6.678 1.00 0.00 O ATOM 1451 CB GLU A 92 -34.157 -10.508 -3.472 1.00 0.00 C ATOM 1452 CG GLU A 92 -33.577 -10.893 -2.110 1.00 0.00 C ATOM 1453 CD GLU A 92 -34.268 -10.082 -1.012 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -35.419 -10.370 -0.726 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -33.635 -9.187 -0.477 1.00 0.00 O ATOM 0 H GLU A 92 -32.349 -8.825 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 92 -32.740 -11.824 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -34.415 -9.449 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -35.077 -11.062 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -33.717 -11.959 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -32.503 -10.705 -2.094 1.00 0.00 H new ATOM 1462 N THR A 93 -34.631 -11.611 -6.303 1.00 0.00 N ATOM 1463 CA THR A 93 -35.329 -11.533 -7.621 1.00 0.00 C ATOM 1464 C THR A 93 -36.622 -12.353 -7.583 1.00 0.00 C ATOM 1465 O THR A 93 -36.932 -13.078 -8.509 1.00 0.00 O ATOM 1466 CB THR A 93 -34.345 -12.131 -8.627 1.00 0.00 C ATOM 1467 OG1 THR A 93 -33.081 -11.496 -8.483 1.00 0.00 O ATOM 1468 CG2 THR A 93 -34.868 -11.914 -10.047 1.00 0.00 C ATOM 0 H THR A 93 -34.877 -12.419 -5.732 1.00 0.00 H new ATOM 0 HA THR A 93 -35.607 -10.512 -7.881 1.00 0.00 H new ATOM 0 HB THR A 93 -34.240 -13.200 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 93 -33.208 -10.593 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 93 -34.165 -12.341 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 93 -35.837 -12.400 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 93 -34.975 -10.846 -10.236 1.00 0.00 H new ATOM 1476 N LEU A 94 -37.394 -12.209 -6.535 1.00 0.00 N ATOM 1477 CA LEU A 94 -38.690 -12.942 -6.449 1.00 0.00 C ATOM 1478 C LEU A 94 -39.808 -12.000 -5.981 1.00 0.00 C ATOM 1479 O LEU A 94 -39.487 -10.973 -5.407 1.00 0.00 O ATOM 1480 CB LEU A 94 -38.447 -14.063 -5.429 1.00 0.00 C ATOM 1481 CG LEU A 94 -38.120 -13.476 -4.050 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -39.416 -13.237 -3.276 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -37.241 -14.461 -3.276 1.00 0.00 C ATOM 1484 OXT LEU A 94 -40.962 -12.324 -6.206 1.00 0.00 O ATOM 0 H LEU A 94 -37.180 -11.614 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 94 -39.006 -13.339 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -39.331 -14.697 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -37.626 -14.696 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 94 -37.591 -12.531 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -39.183 -12.820 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -40.046 -12.539 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -39.945 -14.182 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -37.007 -14.047 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -37.773 -15.405 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -36.317 -14.634 -3.827 1.00 0.00 H new TER 1496 LEU A 94