USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 575 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 37 GLN : amide:sc= -0.221 K(o=-0.9,f=-3!) USER MOD Set 1.2: A 44 HIS : no HE2:sc= -0.684 K(o=-0.9,f=-2.1) USER MOD Set 2.1: A 28 SER OG : rot 90:sc= 0.798 USER MOD Set 2.2: A 30 LYS NZ :NH3+ -156:sc= -0.512 (180deg=-1.31!) USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 5:sc= 0.704 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00508 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.25) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 24 SER OG : rot 140:sc= 1.27 USER MOD Single : A 27 MET CE :methyl -165:sc= -1.33 (180deg=-2.18) USER MOD Single : A 31 MET CE :methyl -149:sc= 0 (180deg=-0.0041) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.687 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0824 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 TYR OH : rot 55:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 1.17 (180deg=-0.112) USER MOD Single : A 57 THR OG1 : rot -105:sc= -0.074 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.608) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -162:sc= -0.0492 (180deg=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.539 -0.847 5.873 1.00 0.00 N ATOM 2 CA GLY A 1 -35.413 -0.140 6.500 1.00 0.00 C ATOM 3 C GLY A 1 -34.188 -0.390 5.651 1.00 0.00 C ATOM 4 O GLY A 1 -34.340 -0.551 4.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.421 -0.329 6.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.383 -0.907 4.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.610 -1.806 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.621 0.928 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.254 -0.499 7.517 1.00 0.00 H new ATOM 8 N SER A 2 -33.012 -0.472 6.268 1.00 0.00 N ATOM 9 CA SER A 2 -31.810 -0.978 5.623 1.00 0.00 C ATOM 10 C SER A 2 -32.038 -2.412 5.116 1.00 0.00 C ATOM 11 O SER A 2 -32.996 -3.074 5.528 1.00 0.00 O ATOM 12 CB SER A 2 -30.663 -0.935 6.643 1.00 0.00 C ATOM 13 OG SER A 2 -30.766 0.213 7.472 1.00 0.00 O ATOM 0 H SER A 2 -32.868 -0.186 7.237 1.00 0.00 H new ATOM 0 HA SER A 2 -31.558 -0.361 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.683 -1.835 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.706 -0.927 6.121 1.00 0.00 H new ATOM 0 HG SER A 2 -30.027 0.219 8.115 1.00 0.00 H new ATOM 19 N SER A 3 -31.145 -2.896 4.254 1.00 0.00 N ATOM 20 CA SER A 3 -31.119 -4.265 3.762 1.00 0.00 C ATOM 21 C SER A 3 -29.655 -4.586 3.467 1.00 0.00 C ATOM 22 O SER A 3 -28.996 -3.809 2.767 1.00 0.00 O ATOM 23 CB SER A 3 -32.005 -4.354 2.509 1.00 0.00 C ATOM 24 OG SER A 3 -32.109 -5.672 2.012 1.00 0.00 O ATOM 0 H SER A 3 -30.395 -2.322 3.868 1.00 0.00 H new ATOM 0 HA SER A 3 -31.509 -4.986 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.001 -3.979 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.596 -3.708 1.732 1.00 0.00 H new ATOM 0 HG SER A 3 -32.683 -5.678 1.218 1.00 0.00 H new ATOM 30 N GLY A 4 -29.148 -5.688 4.012 1.00 0.00 N ATOM 31 CA GLY A 4 -27.770 -6.134 3.878 1.00 0.00 C ATOM 32 C GLY A 4 -27.653 -7.621 4.213 1.00 0.00 C ATOM 33 O GLY A 4 -28.656 -8.298 4.464 1.00 0.00 O ATOM 0 H GLY A 4 -29.712 -6.319 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.421 -5.956 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.128 -5.554 4.541 1.00 0.00 H new ATOM 37 N SER A 5 -26.436 -8.162 4.195 1.00 0.00 N ATOM 38 CA SER A 5 -26.163 -9.531 4.641 1.00 0.00 C ATOM 39 C SER A 5 -24.738 -9.671 5.178 1.00 0.00 C ATOM 40 O SER A 5 -24.539 -10.357 6.181 1.00 0.00 O ATOM 41 CB SER A 5 -26.432 -10.533 3.510 1.00 0.00 C ATOM 42 OG SER A 5 -27.817 -10.543 3.189 1.00 0.00 O ATOM 0 H SER A 5 -25.608 -7.663 3.870 1.00 0.00 H new ATOM 0 HA SER A 5 -26.842 -9.757 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.848 -10.265 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.113 -11.530 3.813 1.00 0.00 H new ATOM 0 HG SER A 5 -28.279 -9.854 3.711 1.00 0.00 H new ATOM 48 N SER A 6 -23.764 -8.988 4.564 1.00 0.00 N ATOM 49 CA SER A 6 -22.368 -8.931 4.990 1.00 0.00 C ATOM 50 C SER A 6 -21.835 -10.293 5.437 1.00 0.00 C ATOM 51 O SER A 6 -21.407 -10.475 6.581 1.00 0.00 O ATOM 52 CB SER A 6 -22.169 -7.810 6.014 1.00 0.00 C ATOM 53 OG SER A 6 -23.143 -7.817 7.050 1.00 0.00 O ATOM 0 H SER A 6 -23.939 -8.439 3.722 1.00 0.00 H new ATOM 0 HA SER A 6 -21.753 -8.676 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.177 -7.903 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.201 -6.849 5.501 1.00 0.00 H new ATOM 0 HG SER A 6 -22.964 -7.082 7.673 1.00 0.00 H new ATOM 59 N GLY A 7 -21.876 -11.265 4.524 1.00 0.00 N ATOM 60 CA GLY A 7 -21.229 -12.547 4.727 1.00 0.00 C ATOM 61 C GLY A 7 -19.740 -12.369 5.010 1.00 0.00 C ATOM 62 O GLY A 7 -19.178 -11.310 4.708 1.00 0.00 O ATOM 0 H GLY A 7 -22.358 -11.179 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.701 -13.069 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.363 -13.170 3.843 1.00 0.00 H new ATOM 66 N ARG A 8 -19.090 -13.403 5.543 1.00 0.00 N ATOM 67 CA ARG A 8 -17.707 -13.359 6.033 1.00 0.00 C ATOM 68 C ARG A 8 -16.776 -12.692 5.020 1.00 0.00 C ATOM 69 O ARG A 8 -16.173 -11.660 5.320 1.00 0.00 O ATOM 70 CB ARG A 8 -17.219 -14.776 6.377 1.00 0.00 C ATOM 71 CG ARG A 8 -18.006 -15.430 7.520 1.00 0.00 C ATOM 72 CD ARG A 8 -17.535 -16.871 7.724 1.00 0.00 C ATOM 73 NE ARG A 8 -18.044 -17.442 8.981 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.688 -18.619 9.508 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.826 -19.410 8.883 1.00 0.00 N ATOM 76 NH2 ARG A 8 -18.191 -18.984 10.683 1.00 0.00 N ATOM 0 H ARG A 8 -19.520 -14.321 5.650 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.688 -12.754 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.293 -15.404 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.165 -14.733 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.869 -14.861 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.072 -15.416 7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.868 -17.484 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.445 -16.900 7.727 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.730 -16.891 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.426 -19.123 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.563 -20.305 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.841 -18.369 11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.927 -19.879 11.095 1.00 0.00 H new ATOM 90 N GLY A 9 -16.732 -13.223 3.805 1.00 0.00 N ATOM 91 CA GLY A 9 -15.798 -12.856 2.761 1.00 0.00 C ATOM 92 C GLY A 9 -15.118 -14.130 2.291 1.00 0.00 C ATOM 93 O GLY A 9 -14.746 -14.976 3.105 1.00 0.00 O ATOM 0 H GLY A 9 -17.379 -13.955 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -16.317 -12.371 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.063 -12.145 3.137 1.00 0.00 H new ATOM 97 N ARG A 10 -14.968 -14.292 0.974 1.00 0.00 N ATOM 98 CA ARG A 10 -14.355 -15.492 0.412 1.00 0.00 C ATOM 99 C ARG A 10 -12.870 -15.518 0.760 1.00 0.00 C ATOM 100 O ARG A 10 -12.372 -16.534 1.237 1.00 0.00 O ATOM 101 CB ARG A 10 -14.599 -15.511 -1.103 1.00 0.00 C ATOM 102 CG ARG A 10 -14.398 -16.895 -1.729 1.00 0.00 C ATOM 103 CD ARG A 10 -14.570 -16.779 -3.246 1.00 0.00 C ATOM 104 NE ARG A 10 -13.338 -16.329 -3.919 1.00 0.00 N ATOM 105 CZ ARG A 10 -12.447 -17.119 -4.530 1.00 0.00 C ATOM 106 NH1 ARG A 10 -12.538 -18.444 -4.467 1.00 0.00 N ATOM 107 NH2 ARG A 10 -11.456 -16.552 -5.201 1.00 0.00 N ATOM 0 H ARG A 10 -15.263 -13.606 0.279 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.803 -16.391 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.615 -15.172 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.925 -14.801 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.406 -17.277 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.119 -17.603 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.869 -17.746 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.377 -16.079 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.148 -15.327 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.299 -18.879 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.847 -19.026 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.385 -15.535 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.764 -17.132 -5.675 1.00 0.00 H new ATOM 121 N TYR A 11 -12.179 -14.407 0.508 1.00 0.00 N ATOM 122 CA TYR A 11 -10.781 -14.143 0.818 1.00 0.00 C ATOM 123 C TYR A 11 -10.640 -12.627 1.007 1.00 0.00 C ATOM 124 O TYR A 11 -11.573 -11.873 0.699 1.00 0.00 O ATOM 125 CB TYR A 11 -9.889 -14.614 -0.339 1.00 0.00 C ATOM 126 CG TYR A 11 -9.712 -16.114 -0.466 1.00 0.00 C ATOM 127 CD1 TYR A 11 -8.759 -16.782 0.323 1.00 0.00 C ATOM 128 CD2 TYR A 11 -10.480 -16.840 -1.394 1.00 0.00 C ATOM 129 CE1 TYR A 11 -8.544 -18.163 0.164 1.00 0.00 C ATOM 130 CE2 TYR A 11 -10.300 -18.226 -1.532 1.00 0.00 C ATOM 131 CZ TYR A 11 -9.311 -18.893 -0.770 1.00 0.00 C ATOM 132 OH TYR A 11 -9.101 -20.230 -0.934 1.00 0.00 O ATOM 0 H TYR A 11 -12.618 -13.610 0.047 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.475 -14.676 1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.307 -14.236 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.905 -14.159 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.188 -16.231 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.211 -16.329 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.793 -18.665 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.917 -18.784 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.715 -20.576 -1.615 1.00 0.00 H new ATOM 142 N ARG A 12 -9.478 -12.156 1.473 1.00 0.00 N ATOM 143 CA ARG A 12 -9.156 -10.734 1.580 1.00 0.00 C ATOM 144 C ARG A 12 -7.678 -10.581 1.234 1.00 0.00 C ATOM 145 O ARG A 12 -6.826 -10.835 2.085 1.00 0.00 O ATOM 146 CB ARG A 12 -9.506 -10.212 2.990 1.00 0.00 C ATOM 147 CG ARG A 12 -9.571 -8.679 3.085 1.00 0.00 C ATOM 148 CD ARG A 12 -10.913 -8.149 2.562 1.00 0.00 C ATOM 149 NE ARG A 12 -10.953 -6.673 2.492 1.00 0.00 N ATOM 150 CZ ARG A 12 -11.076 -5.930 1.384 1.00 0.00 C ATOM 151 NH1 ARG A 12 -11.121 -6.494 0.185 1.00 0.00 N ATOM 152 NH2 ARG A 12 -11.162 -4.611 1.482 1.00 0.00 N ATOM 0 H ARG A 12 -8.724 -12.765 1.791 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.745 -10.131 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.468 -10.627 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.763 -10.580 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.433 -8.370 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.755 -8.241 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.101 -8.561 1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.716 -8.500 3.210 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.880 -6.170 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.062 -7.508 0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.215 -5.914 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.134 -4.165 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.256 -4.042 0.641 1.00 0.00 H new ATOM 166 N GLN A 13 -7.375 -10.283 -0.026 1.00 0.00 N ATOM 167 CA GLN A 13 -6.034 -10.054 -0.539 1.00 0.00 C ATOM 168 C GLN A 13 -6.120 -8.867 -1.485 1.00 0.00 C ATOM 169 O GLN A 13 -6.593 -9.020 -2.614 1.00 0.00 O ATOM 170 CB GLN A 13 -5.481 -11.285 -1.277 1.00 0.00 C ATOM 171 CG GLN A 13 -4.980 -12.391 -0.342 1.00 0.00 C ATOM 172 CD GLN A 13 -6.035 -13.433 0.007 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.410 -14.253 -0.827 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.490 -13.490 1.246 1.00 0.00 N ATOM 0 H GLN A 13 -8.091 -10.191 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.351 -9.859 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.260 -11.692 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.663 -10.972 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.131 -12.891 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.615 -11.936 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.177 -12.808 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.155 -14.216 1.512 1.00 0.00 H new ATOM 183 N TYR A 14 -5.694 -7.688 -1.025 1.00 0.00 N ATOM 184 CA TYR A 14 -5.654 -6.505 -1.876 1.00 0.00 C ATOM 185 C TYR A 14 -4.785 -6.779 -3.106 1.00 0.00 C ATOM 186 O TYR A 14 -3.727 -7.398 -2.976 1.00 0.00 O ATOM 187 CB TYR A 14 -5.149 -5.290 -1.091 1.00 0.00 C ATOM 188 CG TYR A 14 -3.694 -5.347 -0.620 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.648 -5.009 -1.497 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.370 -5.727 0.698 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.305 -5.146 -1.117 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.025 -5.875 1.092 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.983 -5.601 0.177 1.00 0.00 C ATOM 194 OH TYR A 14 0.323 -5.751 0.528 1.00 0.00 O ATOM 0 H TYR A 14 -5.373 -7.531 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.664 -6.276 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.273 -4.404 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.787 -5.157 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.884 -4.636 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.160 -5.906 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.518 -4.903 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.790 -6.198 2.095 1.00 0.00 H new ATOM 0 HH TYR A 14 0.379 -6.071 1.453 1.00 0.00 H new ATOM 204 N ASN A 15 -5.215 -6.340 -4.290 1.00 0.00 N ATOM 205 CA ASN A 15 -4.403 -6.381 -5.512 1.00 0.00 C ATOM 206 C ASN A 15 -3.272 -5.356 -5.434 1.00 0.00 C ATOM 207 O ASN A 15 -3.387 -4.351 -4.738 1.00 0.00 O ATOM 208 CB ASN A 15 -5.260 -6.119 -6.763 1.00 0.00 C ATOM 209 CG ASN A 15 -6.289 -7.218 -6.982 1.00 0.00 C ATOM 210 OD1 ASN A 15 -5.948 -8.398 -7.009 1.00 0.00 O ATOM 211 ND2 ASN A 15 -7.556 -6.873 -7.145 1.00 0.00 N ATOM 0 H ASN A 15 -6.144 -5.942 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.977 -7.381 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.768 -5.160 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.614 -6.046 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.265 -7.591 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.824 -5.889 -7.120 1.00 0.00 H new ATOM 218 N SER A 16 -2.214 -5.552 -6.215 1.00 0.00 N ATOM 219 CA SER A 16 -1.074 -4.642 -6.325 1.00 0.00 C ATOM 220 C SER A 16 -1.486 -3.202 -6.631 1.00 0.00 C ATOM 221 O SER A 16 -0.831 -2.252 -6.201 1.00 0.00 O ATOM 222 CB SER A 16 -0.163 -5.136 -7.453 1.00 0.00 C ATOM 223 OG SER A 16 -0.895 -5.859 -8.443 1.00 0.00 O ATOM 0 H SER A 16 -2.122 -6.376 -6.809 1.00 0.00 H new ATOM 0 HA SER A 16 -0.566 -4.639 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.335 -4.285 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.617 -5.775 -7.038 1.00 0.00 H new ATOM 0 HG SER A 16 -0.284 -6.158 -9.148 1.00 0.00 H new ATOM 229 N GLU A 17 -2.547 -3.051 -7.415 1.00 0.00 N ATOM 230 CA GLU A 17 -3.062 -1.765 -7.830 1.00 0.00 C ATOM 231 C GLU A 17 -3.873 -1.173 -6.675 1.00 0.00 C ATOM 232 O GLU A 17 -3.643 -0.024 -6.330 1.00 0.00 O ATOM 233 CB GLU A 17 -3.866 -1.951 -9.125 1.00 0.00 C ATOM 234 CG GLU A 17 -2.978 -2.486 -10.271 1.00 0.00 C ATOM 235 CD GLU A 17 -1.989 -1.448 -10.818 1.00 0.00 C ATOM 236 OE1 GLU A 17 -2.427 -0.505 -11.519 1.00 0.00 O ATOM 237 OE2 GLU A 17 -0.764 -1.563 -10.580 1.00 0.00 O ATOM 0 H GLU A 17 -3.079 -3.839 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.267 -1.054 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.689 -2.643 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.308 -0.999 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.422 -3.353 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.617 -2.830 -11.084 1.00 0.00 H new ATOM 244 N ILE A 18 -4.739 -1.958 -6.013 1.00 0.00 N ATOM 245 CA ILE A 18 -5.531 -1.561 -4.835 1.00 0.00 C ATOM 246 C ILE A 18 -4.636 -0.963 -3.753 1.00 0.00 C ATOM 247 O ILE A 18 -5.048 -0.033 -3.061 1.00 0.00 O ATOM 248 CB ILE A 18 -6.295 -2.786 -4.272 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.396 -3.242 -5.252 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.858 -2.587 -2.845 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.751 -2.602 -4.963 1.00 0.00 C ATOM 0 H ILE A 18 -4.914 -2.923 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.248 -0.801 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.553 -3.578 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.094 -2.996 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.494 -4.326 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.377 -3.492 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.039 -2.379 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.555 -1.749 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.484 -2.961 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.072 -2.869 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.666 -1.518 -5.041 1.00 0.00 H new ATOM 263 N LEU A 19 -3.443 -1.525 -3.571 1.00 0.00 N ATOM 264 CA LEU A 19 -2.478 -0.999 -2.626 1.00 0.00 C ATOM 265 C LEU A 19 -2.136 0.447 -2.958 1.00 0.00 C ATOM 266 O LEU A 19 -2.120 1.296 -2.073 1.00 0.00 O ATOM 267 CB LEU A 19 -1.234 -1.889 -2.653 1.00 0.00 C ATOM 268 CG LEU A 19 -0.084 -1.334 -1.804 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.471 -1.186 -0.324 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.084 -2.309 -1.920 1.00 0.00 C ATOM 0 H LEU A 19 -3.125 -2.353 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.899 -1.005 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.497 -2.884 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.897 -2.002 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 19 0.175 -0.341 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.376 -0.790 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.316 -0.503 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.748 -2.160 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.923 -1.945 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.778 -3.289 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.387 -2.391 -2.964 1.00 0.00 H new ATOM 282 N GLU A 20 -1.838 0.701 -4.225 1.00 0.00 N ATOM 283 CA GLU A 20 -1.473 1.999 -4.741 1.00 0.00 C ATOM 284 C GLU A 20 -2.636 2.975 -4.608 1.00 0.00 C ATOM 285 O GLU A 20 -2.412 4.094 -4.161 1.00 0.00 O ATOM 286 CB GLU A 20 -0.929 1.806 -6.161 1.00 0.00 C ATOM 287 CG GLU A 20 -1.599 2.584 -7.298 1.00 0.00 C ATOM 288 CD GLU A 20 -1.228 4.066 -7.294 1.00 0.00 C ATOM 289 OE1 GLU A 20 -0.033 4.379 -7.511 1.00 0.00 O ATOM 290 OE2 GLU A 20 -2.133 4.916 -7.148 1.00 0.00 O ATOM 0 H GLU A 20 -1.846 -0.024 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.676 2.463 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.128 2.071 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.990 0.744 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.312 2.144 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.681 2.484 -7.213 1.00 0.00 H new ATOM 297 N GLU A 21 -3.865 2.546 -4.901 1.00 0.00 N ATOM 298 CA GLU A 21 -5.066 3.323 -4.687 1.00 0.00 C ATOM 299 C GLU A 21 -5.124 3.817 -3.259 1.00 0.00 C ATOM 300 O GLU A 21 -5.207 5.019 -3.019 1.00 0.00 O ATOM 301 CB GLU A 21 -6.287 2.484 -4.968 1.00 0.00 C ATOM 302 CG GLU A 21 -6.451 1.836 -6.328 1.00 0.00 C ATOM 303 CD GLU A 21 -6.702 2.783 -7.493 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.225 3.941 -7.494 1.00 0.00 O ATOM 305 OE2 GLU A 21 -7.299 2.286 -8.471 1.00 0.00 O ATOM 0 H GLU A 21 -4.047 1.626 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.046 4.176 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.316 1.690 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.161 3.113 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.553 1.257 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.280 1.130 -6.274 1.00 0.00 H new ATOM 312 N ALA A 22 -5.048 2.874 -2.324 1.00 0.00 N ATOM 313 CA ALA A 22 -5.136 3.111 -0.893 1.00 0.00 C ATOM 314 C ALA A 22 -3.996 3.980 -0.374 1.00 0.00 C ATOM 315 O ALA A 22 -4.104 4.526 0.724 1.00 0.00 O ATOM 316 CB ALA A 22 -5.116 1.765 -0.188 1.00 0.00 C ATOM 0 H ALA A 22 -4.919 1.889 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.061 3.650 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.181 1.918 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.964 1.167 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.189 1.244 -0.425 1.00 0.00 H new ATOM 322 N ILE A 23 -2.918 4.116 -1.141 1.00 0.00 N ATOM 323 CA ILE A 23 -1.841 5.042 -0.822 1.00 0.00 C ATOM 324 C ILE A 23 -2.236 6.410 -1.378 1.00 0.00 C ATOM 325 O ILE A 23 -2.294 7.380 -0.622 1.00 0.00 O ATOM 326 CB ILE A 23 -0.526 4.445 -1.354 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.119 3.299 -0.406 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.635 5.450 -1.477 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.790 2.299 -1.109 1.00 0.00 C ATOM 0 H ILE A 23 -2.769 3.587 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.676 5.190 0.245 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.715 4.102 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.392 3.709 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.012 2.790 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.519 4.940 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.353 6.250 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.856 5.873 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.060 1.503 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.268 1.872 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.693 2.805 -1.450 1.00 0.00 H new ATOM 341 N SER A 24 -2.587 6.479 -2.660 1.00 0.00 N ATOM 342 CA SER A 24 -3.023 7.675 -3.358 1.00 0.00 C ATOM 343 C SER A 24 -4.158 8.400 -2.622 1.00 0.00 C ATOM 344 O SER A 24 -4.066 9.621 -2.489 1.00 0.00 O ATOM 345 CB SER A 24 -3.391 7.284 -4.800 1.00 0.00 C ATOM 346 OG SER A 24 -2.206 6.922 -5.488 1.00 0.00 O ATOM 0 H SER A 24 -2.573 5.659 -3.266 1.00 0.00 H new ATOM 0 HA SER A 24 -2.210 8.401 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.096 6.453 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.881 8.117 -5.304 1.00 0.00 H new ATOM 0 HG SER A 24 -2.384 6.146 -6.059 1.00 0.00 H new ATOM 352 N VAL A 25 -5.173 7.708 -2.082 1.00 0.00 N ATOM 353 CA VAL A 25 -6.230 8.335 -1.289 1.00 0.00 C ATOM 354 C VAL A 25 -5.641 9.054 -0.080 1.00 0.00 C ATOM 355 O VAL A 25 -5.889 10.238 0.102 1.00 0.00 O ATOM 356 CB VAL A 25 -7.346 7.341 -0.874 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.508 7.407 -1.864 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.910 5.918 -0.624 1.00 0.00 C ATOM 0 H VAL A 25 -5.280 6.699 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.711 9.074 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.671 7.681 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.284 6.704 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.918 8.417 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.152 7.147 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.774 5.317 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.465 5.509 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.175 5.899 0.181 1.00 0.00 H new ATOM 368 N VAL A 26 -4.880 8.354 0.748 1.00 0.00 N ATOM 369 CA VAL A 26 -4.273 8.857 1.974 1.00 0.00 C ATOM 370 C VAL A 26 -3.352 10.041 1.671 1.00 0.00 C ATOM 371 O VAL A 26 -3.491 11.079 2.317 1.00 0.00 O ATOM 372 CB VAL A 26 -3.573 7.705 2.725 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.879 8.185 4.007 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.597 6.630 3.122 1.00 0.00 C ATOM 0 H VAL A 26 -4.658 7.373 0.576 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.045 9.241 2.641 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.824 7.301 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.401 7.339 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.126 8.931 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.617 8.626 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.090 5.823 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.354 7.070 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.074 6.233 2.226 1.00 0.00 H new ATOM 384 N MET A 27 -2.479 9.937 0.667 1.00 0.00 N ATOM 385 CA MET A 27 -1.600 11.024 0.240 1.00 0.00 C ATOM 386 C MET A 27 -2.421 12.251 -0.149 1.00 0.00 C ATOM 387 O MET A 27 -2.182 13.359 0.325 1.00 0.00 O ATOM 388 CB MET A 27 -0.765 10.577 -0.961 1.00 0.00 C ATOM 389 CG MET A 27 0.266 9.530 -0.567 1.00 0.00 C ATOM 390 SD MET A 27 1.258 9.018 -1.979 1.00 0.00 S ATOM 391 CE MET A 27 2.822 8.847 -1.112 1.00 0.00 C ATOM 0 H MET A 27 -2.362 9.083 0.121 1.00 0.00 H new ATOM 0 HA MET A 27 -0.942 11.282 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.421 10.171 -1.730 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.260 11.440 -1.396 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.917 9.933 0.209 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.239 8.663 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.635 8.794 -1.836 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.972 9.707 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.809 7.936 -0.514 1.00 0.00 H new ATOM 401 N SER A 28 -3.434 12.039 -0.985 1.00 0.00 N ATOM 402 CA SER A 28 -4.407 13.036 -1.400 1.00 0.00 C ATOM 403 C SER A 28 -5.349 13.469 -0.266 1.00 0.00 C ATOM 404 O SER A 28 -6.258 14.262 -0.511 1.00 0.00 O ATOM 405 CB SER A 28 -5.235 12.419 -2.519 1.00 0.00 C ATOM 406 OG SER A 28 -4.478 12.114 -3.677 1.00 0.00 O ATOM 0 H SER A 28 -3.603 11.126 -1.408 1.00 0.00 H new ATOM 0 HA SER A 28 -3.869 13.929 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.706 11.507 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.037 13.106 -2.789 1.00 0.00 H new ATOM 0 HG SER A 28 -4.127 11.202 -3.607 1.00 0.00 H new ATOM 412 N GLY A 29 -5.200 12.948 0.954 1.00 0.00 N ATOM 413 CA GLY A 29 -6.027 13.285 2.098 1.00 0.00 C ATOM 414 C GLY A 29 -7.498 12.919 1.929 1.00 0.00 C ATOM 415 O GLY A 29 -8.351 13.541 2.573 1.00 0.00 O ATOM 0 H GLY A 29 -4.478 12.261 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.635 12.776 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.949 14.356 2.287 1.00 0.00 H new ATOM 419 N LYS A 30 -7.839 11.919 1.105 1.00 0.00 N ATOM 420 CA LYS A 30 -9.217 11.433 1.061 1.00 0.00 C ATOM 421 C LYS A 30 -9.574 10.772 2.397 1.00 0.00 C ATOM 422 O LYS A 30 -10.752 10.728 2.751 1.00 0.00 O ATOM 423 CB LYS A 30 -9.444 10.470 -0.114 1.00 0.00 C ATOM 424 CG LYS A 30 -9.607 11.158 -1.487 1.00 0.00 C ATOM 425 CD LYS A 30 -8.316 11.561 -2.200 1.00 0.00 C ATOM 426 CE LYS A 30 -8.258 10.965 -3.633 1.00 0.00 C ATOM 427 NZ LYS A 30 -7.356 11.660 -4.588 1.00 0.00 N ATOM 0 H LYS A 30 -7.194 11.443 0.475 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.877 12.285 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.604 9.778 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.335 9.875 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.164 10.488 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.216 12.052 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.250 12.648 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.457 11.217 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.945 9.923 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.266 10.967 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.672 11.475 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.379 12.684 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.385 11.308 -4.467 1.00 0.00 H new ATOM 441 N MET A 31 -8.587 10.261 3.137 1.00 0.00 N ATOM 442 CA MET A 31 -8.744 9.683 4.464 1.00 0.00 C ATOM 443 C MET A 31 -7.374 9.511 5.127 1.00 0.00 C ATOM 444 O MET A 31 -6.359 9.823 4.509 1.00 0.00 O ATOM 445 CB MET A 31 -9.442 8.326 4.356 1.00 0.00 C ATOM 446 CG MET A 31 -8.713 7.299 3.513 1.00 0.00 C ATOM 447 SD MET A 31 -9.802 5.961 2.992 1.00 0.00 S ATOM 448 CE MET A 31 -10.607 6.718 1.586 1.00 0.00 C ATOM 0 H MET A 31 -7.621 10.240 2.811 1.00 0.00 H new ATOM 0 HA MET A 31 -9.351 10.352 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.576 7.922 5.359 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.437 8.478 3.938 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.290 7.785 2.634 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.879 6.888 4.082 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.618 6.322 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.652 7.797 1.730 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.042 6.496 0.680 1.00 0.00 H new ATOM 458 N SER A 32 -7.353 8.983 6.354 1.00 0.00 N ATOM 459 CA SER A 32 -6.140 8.624 7.088 1.00 0.00 C ATOM 460 C SER A 32 -5.657 7.222 6.694 1.00 0.00 C ATOM 461 O SER A 32 -6.433 6.465 6.102 1.00 0.00 O ATOM 462 CB SER A 32 -6.420 8.646 8.603 1.00 0.00 C ATOM 463 OG SER A 32 -7.673 9.224 8.943 1.00 0.00 O ATOM 0 H SER A 32 -8.206 8.788 6.878 1.00 0.00 H new ATOM 0 HA SER A 32 -5.367 9.350 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.385 7.626 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.626 9.201 9.102 1.00 0.00 H new ATOM 0 HG SER A 32 -7.789 9.205 9.916 1.00 0.00 H new ATOM 469 N VAL A 33 -4.444 6.837 7.122 1.00 0.00 N ATOM 470 CA VAL A 33 -3.939 5.465 7.008 1.00 0.00 C ATOM 471 C VAL A 33 -4.973 4.496 7.584 1.00 0.00 C ATOM 472 O VAL A 33 -5.466 3.652 6.843 1.00 0.00 O ATOM 473 CB VAL A 33 -2.545 5.290 7.664 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.044 3.840 7.600 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.484 6.176 6.999 1.00 0.00 C ATOM 0 H VAL A 33 -3.782 7.478 7.561 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.793 5.237 5.952 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.683 5.584 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.064 3.772 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.745 3.189 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.966 3.527 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.523 6.022 7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.400 5.914 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.775 7.223 7.090 1.00 0.00 H new ATOM 485 N SER A 34 -5.336 4.609 8.869 1.00 0.00 N ATOM 486 CA SER A 34 -6.184 3.607 9.517 1.00 0.00 C ATOM 487 C SER A 34 -7.522 3.408 8.795 1.00 0.00 C ATOM 488 O SER A 34 -8.073 2.307 8.738 1.00 0.00 O ATOM 489 CB SER A 34 -6.411 3.993 10.983 1.00 0.00 C ATOM 490 OG SER A 34 -7.071 5.241 11.081 1.00 0.00 O ATOM 0 H SER A 34 -5.056 5.380 9.475 1.00 0.00 H new ATOM 0 HA SER A 34 -5.661 2.652 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.004 3.224 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.454 4.042 11.503 1.00 0.00 H new ATOM 0 HG SER A 34 -7.207 5.466 12.025 1.00 0.00 H new ATOM 496 N LYS A 35 -8.057 4.494 8.240 1.00 0.00 N ATOM 497 CA LYS A 35 -9.305 4.501 7.505 1.00 0.00 C ATOM 498 C LYS A 35 -9.112 3.658 6.252 1.00 0.00 C ATOM 499 O LYS A 35 -9.658 2.558 6.188 1.00 0.00 O ATOM 500 CB LYS A 35 -9.717 5.953 7.287 1.00 0.00 C ATOM 501 CG LYS A 35 -11.050 6.116 6.541 1.00 0.00 C ATOM 502 CD LYS A 35 -11.833 7.288 7.128 1.00 0.00 C ATOM 503 CE LYS A 35 -12.962 7.786 6.223 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.774 8.811 6.915 1.00 0.00 N ATOM 0 H LYS A 35 -7.618 5.413 8.295 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.139 4.044 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.790 6.449 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.933 6.463 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.865 6.286 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.635 5.200 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.254 6.988 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.146 8.111 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.543 8.204 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.596 6.949 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.534 9.136 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.190 8.402 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.170 9.617 7.172 1.00 0.00 H new ATOM 518 N ALA A 36 -8.332 4.129 5.275 1.00 0.00 N ATOM 519 CA ALA A 36 -8.076 3.387 4.052 1.00 0.00 C ATOM 520 C ALA A 36 -7.588 1.959 4.275 1.00 0.00 C ATOM 521 O ALA A 36 -8.004 1.101 3.510 1.00 0.00 O ATOM 522 CB ALA A 36 -7.037 4.140 3.212 1.00 0.00 C ATOM 0 H ALA A 36 -7.864 5.034 5.316 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.034 3.311 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.842 3.587 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.418 5.131 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.112 4.238 3.780 1.00 0.00 H new ATOM 528 N GLN A 37 -6.785 1.664 5.299 1.00 0.00 N ATOM 529 CA GLN A 37 -6.461 0.306 5.710 1.00 0.00 C ATOM 530 C GLN A 37 -7.738 -0.534 5.729 1.00 0.00 C ATOM 531 O GLN A 37 -7.840 -1.505 4.979 1.00 0.00 O ATOM 532 CB GLN A 37 -5.695 0.360 7.050 1.00 0.00 C ATOM 533 CG GLN A 37 -5.892 -0.846 7.996 1.00 0.00 C ATOM 534 CD GLN A 37 -6.508 -0.517 9.358 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.116 0.420 10.056 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.453 -1.331 9.798 1.00 0.00 N ATOM 0 H GLN A 37 -6.336 2.378 5.873 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.796 -0.189 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.631 0.455 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.995 1.264 7.580 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.526 -1.578 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.924 -1.321 8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.772 -2.104 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.863 -1.185 10.721 1.00 0.00 H new ATOM 545 N SER A 38 -8.712 -0.152 6.555 1.00 0.00 N ATOM 546 CA SER A 38 -9.913 -0.941 6.734 1.00 0.00 C ATOM 547 C SER A 38 -10.717 -0.970 5.422 1.00 0.00 C ATOM 548 O SER A 38 -11.228 -2.023 5.038 1.00 0.00 O ATOM 549 CB SER A 38 -10.706 -0.354 7.911 1.00 0.00 C ATOM 550 OG SER A 38 -11.690 -1.252 8.391 1.00 0.00 O ATOM 0 H SER A 38 -8.685 0.704 7.109 1.00 0.00 H new ATOM 0 HA SER A 38 -9.674 -1.977 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.020 -0.102 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.184 0.574 7.598 1.00 0.00 H new ATOM 0 HG SER A 38 -12.170 -0.841 9.140 1.00 0.00 H new ATOM 556 N ILE A 39 -10.803 0.161 4.705 1.00 0.00 N ATOM 557 CA ILE A 39 -11.571 0.290 3.462 1.00 0.00 C ATOM 558 C ILE A 39 -11.017 -0.649 2.380 1.00 0.00 C ATOM 559 O ILE A 39 -11.738 -1.492 1.842 1.00 0.00 O ATOM 560 CB ILE A 39 -11.660 1.768 3.007 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.342 2.588 4.124 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.416 1.901 1.672 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.787 4.000 3.761 1.00 0.00 C ATOM 0 H ILE A 39 -10.333 1.024 4.979 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.597 -0.026 3.649 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.656 2.155 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.215 2.034 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.654 2.654 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.460 2.951 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.895 1.333 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.428 1.513 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.250 4.470 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.922 4.586 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.508 3.956 2.944 1.00 0.00 H new ATOM 575 N TYR A 40 -9.747 -0.472 2.033 1.00 0.00 N ATOM 576 CA TYR A 40 -9.066 -1.106 0.914 1.00 0.00 C ATOM 577 C TYR A 40 -8.573 -2.510 1.274 1.00 0.00 C ATOM 578 O TYR A 40 -8.272 -3.303 0.380 1.00 0.00 O ATOM 579 CB TYR A 40 -7.908 -0.201 0.475 1.00 0.00 C ATOM 580 CG TYR A 40 -8.329 1.066 -0.256 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.800 2.184 0.463 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.131 1.187 -1.643 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.152 3.373 -0.194 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.460 2.378 -2.301 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.049 3.439 -1.595 1.00 0.00 C ATOM 586 OH TYR A 40 -9.539 4.530 -2.235 1.00 0.00 O ATOM 0 H TYR A 40 -9.132 0.153 2.555 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.767 -1.231 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.331 0.080 1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.244 -0.773 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.891 2.124 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.724 0.358 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.498 4.227 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.260 2.481 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.396 4.435 -3.200 1.00 0.00 H new ATOM 596 N GLY A 41 -8.540 -2.852 2.563 1.00 0.00 N ATOM 597 CA GLY A 41 -8.187 -4.177 3.052 1.00 0.00 C ATOM 598 C GLY A 41 -6.688 -4.307 3.291 1.00 0.00 C ATOM 599 O GLY A 41 -6.171 -5.422 3.382 1.00 0.00 O ATOM 0 H GLY A 41 -8.764 -2.196 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.722 -4.377 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.507 -4.929 2.331 1.00 0.00 H new ATOM 603 N ILE A 42 -5.976 -3.189 3.391 1.00 0.00 N ATOM 604 CA ILE A 42 -4.530 -3.170 3.456 1.00 0.00 C ATOM 605 C ILE A 42 -4.186 -3.250 4.942 1.00 0.00 C ATOM 606 O ILE A 42 -4.813 -2.544 5.734 1.00 0.00 O ATOM 607 CB ILE A 42 -3.968 -1.862 2.857 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.637 -1.396 1.558 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.446 -2.024 2.699 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.463 -2.305 0.358 1.00 0.00 C ATOM 0 H ILE A 42 -6.399 -2.261 3.429 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.098 -3.993 2.887 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.203 -1.058 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.704 -1.275 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.244 -0.412 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.025 -1.112 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.997 -2.214 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.236 -2.862 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.977 -1.875 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.402 -2.409 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.884 -3.285 0.580 1.00 0.00 H new ATOM 622 N PRO A 43 -3.192 -4.052 5.355 1.00 0.00 N ATOM 623 CA PRO A 43 -2.712 -4.000 6.725 1.00 0.00 C ATOM 624 C PRO A 43 -2.230 -2.594 7.020 1.00 0.00 C ATOM 625 O PRO A 43 -1.471 -2.042 6.227 1.00 0.00 O ATOM 626 CB PRO A 43 -1.508 -4.945 6.805 1.00 0.00 C ATOM 627 CG PRO A 43 -1.541 -5.745 5.515 1.00 0.00 C ATOM 628 CD PRO A 43 -2.355 -4.913 4.538 1.00 0.00 C ATOM 0 HA PRO A 43 -3.495 -4.279 7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.576 -4.388 6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.578 -5.598 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.534 -5.920 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.997 -6.723 5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.706 -4.326 3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.961 -5.549 3.892 1.00 0.00 H new ATOM 636 N HIS A 44 -2.569 -2.060 8.186 1.00 0.00 N ATOM 637 CA HIS A 44 -2.060 -0.771 8.624 1.00 0.00 C ATOM 638 C HIS A 44 -0.531 -0.816 8.639 1.00 0.00 C ATOM 639 O HIS A 44 0.114 0.098 8.141 1.00 0.00 O ATOM 640 CB HIS A 44 -2.619 -0.481 10.011 1.00 0.00 C ATOM 641 CG HIS A 44 -2.437 0.925 10.494 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.457 1.761 10.874 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.250 1.544 10.771 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.890 2.873 11.373 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.550 2.783 11.344 1.00 0.00 N ATOM 0 H HIS A 44 -3.201 -2.507 8.850 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.369 0.024 7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.684 -0.713 10.011 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.146 -1.157 10.724 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.456 1.574 10.793 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.263 1.149 10.582 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.438 3.725 11.747 1.00 0.00 H new ATOM 653 N SER A 45 0.036 -1.908 9.159 1.00 0.00 N ATOM 654 CA SER A 45 1.467 -2.144 9.278 1.00 0.00 C ATOM 655 C SER A 45 2.191 -2.200 7.925 1.00 0.00 C ATOM 656 O SER A 45 3.415 -2.086 7.901 1.00 0.00 O ATOM 657 CB SER A 45 1.684 -3.465 10.028 1.00 0.00 C ATOM 658 OG SER A 45 0.680 -3.682 11.012 1.00 0.00 O ATOM 0 H SER A 45 -0.519 -2.682 9.523 1.00 0.00 H new ATOM 0 HA SER A 45 1.892 -1.300 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.682 -4.292 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.664 -3.456 10.504 1.00 0.00 H new ATOM 0 HG SER A 45 0.848 -4.533 11.469 1.00 0.00 H new ATOM 664 N THR A 46 1.470 -2.382 6.814 1.00 0.00 N ATOM 665 CA THR A 46 2.015 -2.298 5.467 1.00 0.00 C ATOM 666 C THR A 46 1.681 -0.929 4.872 1.00 0.00 C ATOM 667 O THR A 46 2.566 -0.283 4.323 1.00 0.00 O ATOM 668 CB THR A 46 1.466 -3.473 4.639 1.00 0.00 C ATOM 669 OG1 THR A 46 1.829 -4.680 5.286 1.00 0.00 O ATOM 670 CG2 THR A 46 2.009 -3.514 3.211 1.00 0.00 C ATOM 0 H THR A 46 0.473 -2.596 6.833 1.00 0.00 H new ATOM 0 HA THR A 46 3.102 -2.382 5.469 1.00 0.00 H new ATOM 0 HB THR A 46 0.386 -3.345 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.629 -5.439 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.581 -4.367 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.739 -2.594 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.094 -3.611 3.237 1.00 0.00 H new ATOM 678 N LEU A 47 0.434 -0.471 4.972 1.00 0.00 N ATOM 679 CA LEU A 47 -0.045 0.787 4.428 1.00 0.00 C ATOM 680 C LEU A 47 0.796 1.946 4.938 1.00 0.00 C ATOM 681 O LEU A 47 1.196 2.757 4.118 1.00 0.00 O ATOM 682 CB LEU A 47 -1.524 1.002 4.784 1.00 0.00 C ATOM 683 CG LEU A 47 -2.140 2.208 4.043 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.295 1.960 2.546 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.565 2.454 4.527 1.00 0.00 C ATOM 0 H LEU A 47 -0.297 -0.993 5.456 1.00 0.00 H new ATOM 0 HA LEU A 47 0.047 0.746 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.088 0.102 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.617 1.154 5.859 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.463 3.040 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.733 2.840 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.317 1.762 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.946 1.101 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.987 3.307 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.172 1.570 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.555 2.661 5.597 1.00 0.00 H new ATOM 697 N GLU A 48 1.082 2.012 6.245 1.00 0.00 N ATOM 698 CA GLU A 48 1.955 3.029 6.821 1.00 0.00 C ATOM 699 C GLU A 48 3.250 3.064 6.014 1.00 0.00 C ATOM 700 O GLU A 48 3.485 4.038 5.305 1.00 0.00 O ATOM 701 CB GLU A 48 2.272 2.760 8.303 1.00 0.00 C ATOM 702 CG GLU A 48 1.363 3.512 9.263 1.00 0.00 C ATOM 703 CD GLU A 48 1.974 3.582 10.655 1.00 0.00 C ATOM 704 OE1 GLU A 48 1.959 2.578 11.401 1.00 0.00 O ATOM 705 OE2 GLU A 48 2.475 4.667 11.027 1.00 0.00 O ATOM 0 H GLU A 48 0.710 1.356 6.931 1.00 0.00 H new ATOM 0 HA GLU A 48 1.440 3.988 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.187 1.691 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.307 3.038 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.188 4.520 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.393 3.018 9.313 1.00 0.00 H new ATOM 712 N TYR A 49 4.048 1.995 6.087 1.00 0.00 N ATOM 713 CA TYR A 49 5.317 1.826 5.391 1.00 0.00 C ATOM 714 C TYR A 49 5.170 2.306 3.951 1.00 0.00 C ATOM 715 O TYR A 49 5.864 3.218 3.518 1.00 0.00 O ATOM 716 CB TYR A 49 5.745 0.342 5.490 1.00 0.00 C ATOM 717 CG TYR A 49 6.882 -0.096 4.587 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.623 -0.404 3.241 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.192 -0.197 5.083 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.670 -0.712 2.359 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.250 -0.537 4.219 1.00 0.00 C ATOM 722 CZ TYR A 49 8.994 -0.759 2.848 1.00 0.00 C ATOM 723 OH TYR A 49 10.035 -0.921 1.990 1.00 0.00 O ATOM 0 H TYR A 49 3.811 1.187 6.663 1.00 0.00 H new ATOM 0 HA TYR A 49 6.103 2.427 5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.031 0.137 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.876 -0.279 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.605 -0.404 2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.388 -0.013 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.465 -0.911 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.255 -0.628 4.604 1.00 0.00 H new ATOM 0 HH TYR A 49 10.005 -0.222 1.304 1.00 0.00 H new ATOM 733 N LYS A 50 4.229 1.729 3.212 1.00 0.00 N ATOM 734 CA LYS A 50 4.089 1.917 1.781 1.00 0.00 C ATOM 735 C LYS A 50 3.716 3.362 1.420 1.00 0.00 C ATOM 736 O LYS A 50 4.154 3.826 0.365 1.00 0.00 O ATOM 737 CB LYS A 50 3.019 0.936 1.304 1.00 0.00 C ATOM 738 CG LYS A 50 3.394 -0.546 1.276 1.00 0.00 C ATOM 739 CD LYS A 50 4.475 -0.922 0.255 1.00 0.00 C ATOM 740 CE LYS A 50 4.279 -2.372 -0.188 1.00 0.00 C ATOM 741 NZ LYS A 50 4.656 -2.595 -1.597 1.00 0.00 N ATOM 0 H LYS A 50 3.527 1.103 3.606 1.00 0.00 H new ATOM 0 HA LYS A 50 5.041 1.726 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.145 1.051 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.718 1.227 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.736 -0.838 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.497 -1.128 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.422 -0.257 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.464 -0.796 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.873 -3.026 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.235 -2.652 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.503 -3.594 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.072 -1.993 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.659 -2.355 -1.730 1.00 0.00 H new ATOM 755 N VAL A 51 2.948 4.068 2.253 1.00 0.00 N ATOM 756 CA VAL A 51 2.733 5.509 2.162 1.00 0.00 C ATOM 757 C VAL A 51 4.052 6.231 2.460 1.00 0.00 C ATOM 758 O VAL A 51 4.508 7.019 1.641 1.00 0.00 O ATOM 759 CB VAL A 51 1.615 5.953 3.137 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.450 7.473 3.177 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.226 5.402 2.805 1.00 0.00 C ATOM 0 H VAL A 51 2.446 3.639 3.030 1.00 0.00 H new ATOM 0 HA VAL A 51 2.408 5.770 1.155 1.00 0.00 H new ATOM 0 HB VAL A 51 1.956 5.550 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.654 7.734 3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.384 7.932 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.194 7.838 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.494 5.764 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.070 5.737 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.252 4.313 2.828 1.00 0.00 H new ATOM 771 N LYS A 52 4.643 5.987 3.631 1.00 0.00 N ATOM 772 CA LYS A 52 5.790 6.693 4.222 1.00 0.00 C ATOM 773 C LYS A 52 7.020 6.659 3.333 1.00 0.00 C ATOM 774 O LYS A 52 7.754 7.640 3.255 1.00 0.00 O ATOM 775 CB LYS A 52 6.031 6.081 5.613 1.00 0.00 C ATOM 776 CG LYS A 52 4.945 6.617 6.567 1.00 0.00 C ATOM 777 CD LYS A 52 4.498 5.633 7.658 1.00 0.00 C ATOM 778 CE LYS A 52 4.499 6.226 9.069 1.00 0.00 C ATOM 779 NZ LYS A 52 3.199 6.821 9.437 1.00 0.00 N ATOM 0 H LYS A 52 4.311 5.237 4.238 1.00 0.00 H new ATOM 0 HA LYS A 52 5.569 7.756 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.990 4.993 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.023 6.346 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.318 7.523 7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.074 6.903 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.494 5.279 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.155 4.763 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.753 5.446 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.275 6.988 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.356 7.738 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.627 6.961 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.697 6.184 10.088 1.00 0.00 H new ATOM 793 N GLU A 53 7.160 5.560 2.613 1.00 0.00 N ATOM 794 CA GLU A 53 8.063 5.286 1.520 1.00 0.00 C ATOM 795 C GLU A 53 7.780 6.293 0.401 1.00 0.00 C ATOM 796 O GLU A 53 8.582 7.179 0.085 1.00 0.00 O ATOM 797 CB GLU A 53 7.766 3.837 1.086 1.00 0.00 C ATOM 798 CG GLU A 53 8.356 2.759 2.002 1.00 0.00 C ATOM 799 CD GLU A 53 9.734 2.222 1.625 1.00 0.00 C ATOM 800 OE1 GLU A 53 9.823 1.343 0.739 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.719 2.610 2.300 1.00 0.00 O ATOM 0 H GLU A 53 6.574 4.748 2.807 1.00 0.00 H new ATOM 0 HA GLU A 53 9.115 5.383 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.686 3.701 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.152 3.688 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.413 3.164 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.660 1.920 2.033 1.00 0.00 H new ATOM 808 N ARG A 54 6.611 6.147 -0.228 1.00 0.00 N ATOM 809 CA ARG A 54 6.228 6.881 -1.428 1.00 0.00 C ATOM 810 C ARG A 54 6.083 8.376 -1.193 1.00 0.00 C ATOM 811 O ARG A 54 6.195 9.135 -2.151 1.00 0.00 O ATOM 812 CB ARG A 54 4.946 6.264 -1.999 1.00 0.00 C ATOM 813 CG ARG A 54 5.248 4.961 -2.742 1.00 0.00 C ATOM 814 CD ARG A 54 5.748 5.275 -4.151 1.00 0.00 C ATOM 815 NE ARG A 54 6.441 4.142 -4.785 1.00 0.00 N ATOM 816 CZ ARG A 54 6.156 3.630 -5.987 1.00 0.00 C ATOM 817 NH1 ARG A 54 4.978 3.821 -6.575 1.00 0.00 N ATOM 818 NH2 ARG A 54 7.084 2.916 -6.608 1.00 0.00 N ATOM 0 H ARG A 54 5.891 5.500 0.093 1.00 0.00 H new ATOM 0 HA ARG A 54 7.033 6.788 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.240 6.071 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.469 6.971 -2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.999 4.387 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.351 4.344 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.902 5.569 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.425 6.129 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 54 7.204 3.710 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.258 4.373 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.794 3.416 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.992 2.767 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.890 2.515 -7.526 1.00 0.00 H new ATOM 832 N LEU A 55 5.913 8.821 0.050 1.00 0.00 N ATOM 833 CA LEU A 55 5.962 10.228 0.425 1.00 0.00 C ATOM 834 C LEU A 55 7.307 10.868 0.076 1.00 0.00 C ATOM 835 O LEU A 55 7.393 12.097 0.055 1.00 0.00 O ATOM 836 CB LEU A 55 5.640 10.383 1.920 1.00 0.00 C ATOM 837 CG LEU A 55 4.126 10.366 2.201 1.00 0.00 C ATOM 838 CD1 LEU A 55 3.900 10.203 3.703 1.00 0.00 C ATOM 839 CD2 LEU A 55 3.442 11.643 1.694 1.00 0.00 C ATOM 0 H LEU A 55 5.734 8.199 0.839 1.00 0.00 H new ATOM 0 HA LEU A 55 5.206 10.759 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.119 9.578 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.064 11.319 2.285 1.00 0.00 H new ATOM 0 HG LEU A 55 3.682 9.527 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.830 10.190 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.346 9.267 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.362 11.036 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.375 11.594 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.874 12.510 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.591 11.733 0.618 1.00 0.00 H new ATOM 851 N GLY A 56 8.322 10.078 -0.277 1.00 0.00 N ATOM 852 CA GLY A 56 9.513 10.546 -0.959 1.00 0.00 C ATOM 853 C GLY A 56 10.769 10.276 -0.155 1.00 0.00 C ATOM 854 O GLY A 56 11.779 10.934 -0.397 1.00 0.00 O ATOM 0 H GLY A 56 8.332 9.075 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.591 10.056 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.426 11.616 -1.148 1.00 0.00 H new ATOM 858 N THR A 57 10.748 9.357 0.811 1.00 0.00 N ATOM 859 CA THR A 57 11.968 8.911 1.472 1.00 0.00 C ATOM 860 C THR A 57 12.825 8.068 0.524 1.00 0.00 C ATOM 861 O THR A 57 14.051 8.069 0.612 1.00 0.00 O ATOM 862 CB THR A 57 11.598 8.104 2.720 1.00 0.00 C ATOM 863 OG1 THR A 57 10.712 7.066 2.388 1.00 0.00 O ATOM 864 CG2 THR A 57 10.924 8.969 3.793 1.00 0.00 C ATOM 0 H THR A 57 9.897 8.909 1.151 1.00 0.00 H new ATOM 0 HA THR A 57 12.554 9.783 1.763 1.00 0.00 H new ATOM 0 HB THR A 57 12.532 7.707 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.808 7.301 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.681 8.352 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.602 9.767 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.010 9.404 3.389 1.00 0.00 H new ATOM 872 N LEU A 58 12.165 7.373 -0.407 1.00 0.00 N ATOM 873 CA LEU A 58 12.731 6.323 -1.239 1.00 0.00 C ATOM 874 C LEU A 58 13.945 6.799 -2.022 1.00 0.00 C ATOM 875 O LEU A 58 13.972 7.934 -2.499 1.00 0.00 O ATOM 876 CB LEU A 58 11.664 5.818 -2.211 1.00 0.00 C ATOM 877 CG LEU A 58 10.542 5.040 -1.506 1.00 0.00 C ATOM 878 CD1 LEU A 58 9.285 5.093 -2.373 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.919 3.581 -1.264 1.00 0.00 C ATOM 0 H LEU A 58 11.178 7.539 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 58 13.060 5.520 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.234 6.666 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.132 5.176 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 58 10.369 5.504 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.481 4.544 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.983 6.131 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.493 4.642 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.096 3.071 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.121 3.094 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.809 3.534 -0.637 1.00 0.00 H new ATOM 891 N LYS A 59 14.921 5.909 -2.191 1.00 0.00 N ATOM 892 CA LYS A 59 16.230 6.165 -2.797 1.00 0.00 C ATOM 893 C LYS A 59 16.601 5.009 -3.736 1.00 0.00 C ATOM 894 O LYS A 59 17.767 4.632 -3.856 1.00 0.00 O ATOM 895 CB LYS A 59 17.258 6.426 -1.663 1.00 0.00 C ATOM 896 CG LYS A 59 17.884 7.832 -1.705 1.00 0.00 C ATOM 897 CD LYS A 59 16.869 8.951 -1.458 1.00 0.00 C ATOM 898 CE LYS A 59 17.524 10.324 -1.277 1.00 0.00 C ATOM 899 NZ LYS A 59 16.560 11.296 -0.724 1.00 0.00 N ATOM 0 H LYS A 59 14.816 4.939 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 59 16.218 7.058 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.767 6.286 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.052 5.682 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.673 7.894 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.354 7.985 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.173 8.994 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.284 8.714 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.383 10.237 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.899 10.682 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.025 12.219 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.753 11.393 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.222 10.962 0.201 1.00 0.00 H new ATOM 913 N ASN A 60 15.606 4.392 -4.385 1.00 0.00 N ATOM 914 CA ASN A 60 15.810 3.284 -5.320 1.00 0.00 C ATOM 915 C ASN A 60 15.220 3.674 -6.674 1.00 0.00 C ATOM 916 O ASN A 60 14.064 3.349 -6.954 1.00 0.00 O ATOM 917 CB ASN A 60 15.223 1.969 -4.788 1.00 0.00 C ATOM 918 CG ASN A 60 16.076 1.374 -3.679 1.00 0.00 C ATOM 919 OD1 ASN A 60 16.906 0.499 -3.898 1.00 0.00 O ATOM 920 ND2 ASN A 60 15.862 1.796 -2.449 1.00 0.00 N ATOM 0 H ASN A 60 14.626 4.653 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 60 16.878 3.101 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.215 2.147 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.139 1.252 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.388 1.394 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.170 2.524 -2.273 1.00 0.00 H new ATOM 927 N PRO A 61 15.965 4.421 -7.501 1.00 0.00 N ATOM 928 CA PRO A 61 15.599 4.693 -8.877 1.00 0.00 C ATOM 929 C PRO A 61 16.052 3.520 -9.762 1.00 0.00 C ATOM 930 O PRO A 61 17.258 3.359 -9.973 1.00 0.00 O ATOM 931 CB PRO A 61 16.326 5.992 -9.204 1.00 0.00 C ATOM 932 CG PRO A 61 17.611 5.933 -8.375 1.00 0.00 C ATOM 933 CD PRO A 61 17.209 5.101 -7.158 1.00 0.00 C ATOM 0 HA PRO A 61 14.527 4.796 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.544 6.067 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.723 6.861 -8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.426 5.467 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.950 6.928 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.987 4.380 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.073 5.737 -6.283 1.00 0.00 H new ATOM 941 N PRO A 62 15.147 2.686 -10.296 1.00 0.00 N ATOM 942 CA PRO A 62 15.544 1.603 -11.182 1.00 0.00 C ATOM 943 C PRO A 62 16.042 2.153 -12.526 1.00 0.00 C ATOM 944 O PRO A 62 15.904 3.340 -12.837 1.00 0.00 O ATOM 945 CB PRO A 62 14.287 0.743 -11.341 1.00 0.00 C ATOM 946 CG PRO A 62 13.179 1.784 -11.267 1.00 0.00 C ATOM 947 CD PRO A 62 13.696 2.759 -10.211 1.00 0.00 C ATOM 0 HA PRO A 62 16.374 1.019 -10.783 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.278 0.205 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.200 -0.002 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.021 2.275 -12.227 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.227 1.340 -10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.341 3.772 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.346 2.483 -9.216 1.00 0.00 H new ATOM 955 N LYS A 63 16.574 1.275 -13.374 1.00 0.00 N ATOM 956 CA LYS A 63 16.861 1.575 -14.779 1.00 0.00 C ATOM 957 C LYS A 63 16.104 0.553 -15.627 1.00 0.00 C ATOM 958 O LYS A 63 15.246 0.937 -16.429 1.00 0.00 O ATOM 959 CB LYS A 63 18.388 1.598 -15.000 1.00 0.00 C ATOM 960 CG LYS A 63 18.836 2.429 -16.214 1.00 0.00 C ATOM 961 CD LYS A 63 19.100 3.921 -15.953 1.00 0.00 C ATOM 962 CE LYS A 63 17.871 4.810 -15.714 1.00 0.00 C ATOM 963 NZ LYS A 63 17.574 5.075 -14.289 1.00 0.00 N ATOM 0 H LYS A 63 16.822 0.323 -13.103 1.00 0.00 H new ATOM 0 HA LYS A 63 16.517 2.565 -15.080 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.868 1.995 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.742 0.574 -15.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.746 1.985 -16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.072 2.346 -16.987 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.753 4.004 -15.084 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.650 4.323 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.022 5.762 -16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.002 4.337 -16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.105 5.999 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.947 4.331 -13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.460 5.082 -13.745 1.00 0.00 H new ATOM 977 N LYS A 64 16.270 -0.734 -15.313 1.00 0.00 N ATOM 978 CA LYS A 64 15.631 -1.903 -15.907 1.00 0.00 C ATOM 979 C LYS A 64 16.146 -2.109 -17.327 1.00 0.00 C ATOM 980 O LYS A 64 16.947 -3.017 -17.535 1.00 0.00 O ATOM 981 CB LYS A 64 14.094 -1.885 -15.769 1.00 0.00 C ATOM 982 CG LYS A 64 13.566 -3.304 -16.005 1.00 0.00 C ATOM 983 CD LYS A 64 12.052 -3.390 -16.192 1.00 0.00 C ATOM 984 CE LYS A 64 11.716 -4.868 -16.417 1.00 0.00 C ATOM 985 NZ LYS A 64 10.410 -5.069 -17.068 1.00 0.00 N ATOM 0 H LYS A 64 16.914 -1.005 -14.569 1.00 0.00 H new ATOM 0 HA LYS A 64 15.918 -2.788 -15.339 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.807 -1.535 -14.778 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.657 -1.194 -16.490 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.053 -3.718 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.852 -3.930 -15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.532 -3.005 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.733 -2.787 -17.042 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.495 -5.323 -17.029 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.721 -5.386 -15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.238 -6.087 -17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.660 -4.662 -16.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.409 -4.600 -17.996 1.00 0.00 H new ATOM 999 N LYS A 65 15.739 -1.279 -18.291 1.00 0.00 N ATOM 1000 CA LYS A 65 16.502 -1.168 -19.531 1.00 0.00 C ATOM 1001 C LYS A 65 17.898 -0.674 -19.154 1.00 0.00 C ATOM 1002 O LYS A 65 18.037 0.098 -18.205 1.00 0.00 O ATOM 1003 CB LYS A 65 15.813 -0.213 -20.525 1.00 0.00 C ATOM 1004 CG LYS A 65 14.645 -0.853 -21.299 1.00 0.00 C ATOM 1005 CD LYS A 65 15.060 -1.476 -22.646 1.00 0.00 C ATOM 1006 CE LYS A 65 16.063 -2.633 -22.559 1.00 0.00 C ATOM 1007 NZ LYS A 65 15.475 -3.878 -22.041 1.00 0.00 N ATOM 0 H LYS A 65 14.908 -0.690 -18.239 1.00 0.00 H new ATOM 0 HA LYS A 65 16.564 -2.133 -20.033 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.443 0.656 -19.981 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.553 0.149 -21.238 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.189 -1.624 -20.678 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.882 -0.096 -21.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.163 -1.833 -23.152 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.489 -0.693 -23.271 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.477 -2.820 -23.550 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.893 -2.337 -21.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.204 -4.619 -22.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.103 -3.714 -21.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.701 -4.182 -22.665 1.00 0.00 H new ATOM 1021 N MET A 66 18.910 -1.155 -19.872 1.00 0.00 N ATOM 1022 CA MET A 66 20.325 -0.798 -19.785 1.00 0.00 C ATOM 1023 C MET A 66 21.079 -1.658 -20.805 1.00 0.00 C ATOM 1024 O MET A 66 22.017 -1.184 -21.445 1.00 0.00 O ATOM 1025 CB MET A 66 20.910 -1.020 -18.370 1.00 0.00 C ATOM 1026 CG MET A 66 22.343 -0.475 -18.266 1.00 0.00 C ATOM 1027 SD MET A 66 23.169 -0.766 -16.677 1.00 0.00 S ATOM 1028 CE MET A 66 22.381 0.513 -15.658 1.00 0.00 C ATOM 0 H MET A 66 18.749 -1.863 -20.589 1.00 0.00 H new ATOM 0 HA MET A 66 20.435 0.265 -19.997 1.00 0.00 H new ATOM 0 HB2 MET A 66 20.277 -0.528 -17.631 1.00 0.00 H new ATOM 0 HB3 MET A 66 20.906 -2.084 -18.135 1.00 0.00 H new ATOM 0 HG2 MET A 66 22.944 -0.925 -19.057 1.00 0.00 H new ATOM 0 HG3 MET A 66 22.321 0.598 -18.454 1.00 0.00 H new ATOM 0 HE1 MET A 66 22.781 0.469 -14.645 1.00 0.00 H new ATOM 0 HE2 MET A 66 22.584 1.495 -16.085 1.00 0.00 H new ATOM 0 HE3 MET A 66 21.304 0.345 -15.631 1.00 0.00 H new ATOM 1038 N LYS A 67 20.681 -2.927 -20.967 1.00 0.00 N ATOM 1039 CA LYS A 67 21.257 -3.886 -21.906 1.00 0.00 C ATOM 1040 C LYS A 67 20.137 -4.411 -22.804 1.00 0.00 C ATOM 1041 O LYS A 67 18.959 -4.344 -22.442 1.00 0.00 O ATOM 1042 CB LYS A 67 21.941 -5.038 -21.144 1.00 0.00 C ATOM 1043 CG LYS A 67 23.381 -4.767 -20.667 1.00 0.00 C ATOM 1044 CD LYS A 67 23.505 -3.622 -19.648 1.00 0.00 C ATOM 1045 CE LYS A 67 24.564 -3.864 -18.568 1.00 0.00 C ATOM 1046 NZ LYS A 67 24.052 -4.761 -17.512 1.00 0.00 N ATOM 0 H LYS A 67 19.916 -3.325 -20.422 1.00 0.00 H new ATOM 0 HA LYS A 67 22.018 -3.402 -22.518 1.00 0.00 H new ATOM 0 HB2 LYS A 67 21.331 -5.286 -20.275 1.00 0.00 H new ATOM 0 HB3 LYS A 67 21.951 -5.918 -21.787 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.782 -5.678 -20.223 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.001 -4.536 -21.533 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.745 -2.701 -20.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.538 -3.470 -19.168 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.455 -4.300 -19.019 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.863 -2.913 -18.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.790 -4.908 -16.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.216 -4.332 -17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.790 -5.676 -17.931 1.00 0.00 H new ATOM 1060 N LEU A 68 20.522 -4.966 -23.956 1.00 0.00 N ATOM 1061 CA LEU A 68 19.608 -5.448 -24.986 1.00 0.00 C ATOM 1062 C LEU A 68 18.703 -6.538 -24.423 1.00 0.00 C ATOM 1063 O LEU A 68 17.476 -6.431 -24.513 1.00 0.00 O ATOM 1064 CB LEU A 68 20.386 -5.987 -26.204 1.00 0.00 C ATOM 1065 CG LEU A 68 21.264 -4.957 -26.941 1.00 0.00 C ATOM 1066 CD1 LEU A 68 22.021 -5.656 -28.077 1.00 0.00 C ATOM 1067 CD2 LEU A 68 20.450 -3.791 -27.512 1.00 0.00 C ATOM 0 H LEU A 68 21.504 -5.094 -24.201 1.00 0.00 H new ATOM 0 HA LEU A 68 18.994 -4.609 -25.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 21.021 -6.808 -25.873 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.671 -6.403 -26.914 1.00 0.00 H new ATOM 0 HG LEU A 68 21.960 -4.541 -26.213 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.643 -4.930 -28.600 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.652 -6.443 -27.664 1.00 0.00 H new ATOM 0 HD13 LEU A 68 21.307 -6.092 -28.775 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.118 -3.096 -28.020 1.00 0.00 H new ATOM 0 HD22 LEU A 68 19.715 -4.173 -28.221 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.937 -3.274 -26.701 1.00 0.00 H new ATOM 1079 N MET A 69 19.296 -7.594 -23.862 1.00 0.00 N ATOM 1080 CA MET A 69 18.547 -8.707 -23.297 1.00 0.00 C ATOM 1081 C MET A 69 17.832 -8.242 -22.029 1.00 0.00 C ATOM 1082 O MET A 69 18.267 -7.281 -21.382 1.00 0.00 O ATOM 1083 CB MET A 69 19.500 -9.887 -23.061 1.00 0.00 C ATOM 1084 CG MET A 69 18.768 -11.231 -23.058 1.00 0.00 C ATOM 1085 SD MET A 69 19.865 -12.670 -23.185 1.00 0.00 S ATOM 1086 CE MET A 69 20.514 -12.485 -24.876 1.00 0.00 C ATOM 0 H MET A 69 20.308 -7.697 -23.789 1.00 0.00 H new ATOM 0 HA MET A 69 17.776 -9.054 -23.985 1.00 0.00 H new ATOM 0 HB2 MET A 69 20.265 -9.894 -23.837 1.00 0.00 H new ATOM 0 HB3 MET A 69 20.013 -9.753 -22.109 1.00 0.00 H new ATOM 0 HG2 MET A 69 18.184 -11.313 -22.142 1.00 0.00 H new ATOM 0 HG3 MET A 69 18.063 -11.251 -23.889 1.00 0.00 H new ATOM 0 HE1 MET A 69 20.935 -13.433 -25.210 1.00 0.00 H new ATOM 0 HE2 MET A 69 19.706 -12.190 -25.546 1.00 0.00 H new ATOM 0 HE3 MET A 69 21.291 -11.720 -24.886 1.00 0.00 H new ATOM 1096 N ARG A 70 16.737 -8.908 -21.664 1.00 0.00 N ATOM 1097 CA ARG A 70 15.810 -8.466 -20.635 1.00 0.00 C ATOM 1098 C ARG A 70 15.562 -9.626 -19.706 1.00 0.00 C ATOM 1099 O ARG A 70 15.108 -10.683 -20.182 1.00 0.00 O ATOM 1100 CB ARG A 70 14.525 -7.964 -21.311 1.00 0.00 C ATOM 1101 CG ARG A 70 13.440 -7.612 -20.287 1.00 0.00 C ATOM 1102 CD ARG A 70 12.221 -6.955 -20.934 1.00 0.00 C ATOM 1103 NE ARG A 70 11.279 -7.944 -21.469 1.00 0.00 N ATOM 1104 CZ ARG A 70 10.038 -7.692 -21.890 1.00 0.00 C ATOM 1105 NH1 ARG A 70 9.609 -6.445 -22.032 1.00 0.00 N ATOM 1106 NH2 ARG A 70 9.231 -8.701 -22.164 1.00 0.00 N ATOM 0 H ARG A 70 16.467 -9.794 -22.091 1.00 0.00 H new ATOM 0 HA ARG A 70 16.212 -7.640 -20.048 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.752 -7.086 -21.916 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.149 -8.730 -21.990 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.128 -8.517 -19.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.856 -6.940 -19.537 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.713 -6.332 -20.198 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.549 -6.296 -21.738 1.00 0.00 H new ATOM 0 HE ARG A 70 11.601 -8.910 -21.524 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.230 -5.665 -21.819 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.658 -6.266 -22.355 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.558 -9.661 -22.053 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.280 -8.521 -22.486 1.00 0.00 H new TER 1120 ARG A 70