USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -72:sc= 0.749 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -145:sc= 2.16 (180deg=1.26) USER MOD Set 1.3: A 99 GLN : amide:sc= 1.71 K(o=4.6,f=-5.7!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.681 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -171:sc= 0.763 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.827 (180deg=0.575) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.774 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.567) USER MOD Single : A 9 TYR OH : rot -122:sc= 0.125 USER MOD Single : A 13 TYR OH : rot 4:sc= 1.88 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 2.46 (180deg=2.4) USER MOD Single : A 16 SER OG : rot 135:sc= 0.364 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -24:sc= 0.978 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -85:sc= 1.25 USER MOD Single : A 35 MET CE :methyl -170:sc= -0.043 (180deg=-0.263) USER MOD Single : A 38 MET CE :methyl 154:sc= -2 (180deg=-2.82!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 41 SER OG : rot 21:sc= 0.905 USER MOD Single : A 43 MET CE :methyl -134:sc= 0 (180deg=-0.137) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.32) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.113 F(o=-0.83,f=-0.11) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 82 GLN : amide:sc= 1.07 K(o=1.1,f=-0.44) USER MOD Single : A 83 GLN : amide:sc= 0.802 K(o=0.8,f=-0.49) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.01) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00999 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.602 -8.682 23.207 1.00 0.00 N ATOM 2 CA MET A 1 1.781 -9.095 22.037 1.00 0.00 C ATOM 3 C MET A 1 0.366 -8.514 22.140 1.00 0.00 C ATOM 4 O MET A 1 -0.105 -8.214 23.238 1.00 0.00 O ATOM 5 CB MET A 1 1.728 -10.630 21.865 1.00 0.00 C ATOM 6 CG MET A 1 3.021 -11.231 21.292 1.00 0.00 C ATOM 7 SD MET A 1 4.490 -11.167 22.360 1.00 0.00 S ATOM 8 CE MET A 1 5.693 -11.976 21.268 1.00 0.00 C ATOM 0 H1 MET A 1 3.401 -9.338 23.319 1.00 0.00 H new ATOM 0 H2 MET A 1 2.963 -7.719 23.055 1.00 0.00 H new ATOM 0 H3 MET A 1 2.016 -8.701 24.066 1.00 0.00 H new ATOM 0 HA MET A 1 2.266 -8.692 21.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.522 -11.088 22.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.897 -10.885 21.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.829 -12.274 21.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.254 -10.714 20.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.661 -12.024 21.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.353 -12.986 21.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.788 -11.405 20.345 1.00 0.00 H new ATOM 20 N ALA A 2 -0.314 -8.350 21.000 1.00 0.00 N ATOM 21 CA ALA A 2 -1.672 -7.799 20.890 1.00 0.00 C ATOM 22 C ALA A 2 -2.500 -8.512 19.797 1.00 0.00 C ATOM 23 O ALA A 2 -1.957 -9.240 18.962 1.00 0.00 O ATOM 24 CB ALA A 2 -1.556 -6.292 20.613 1.00 0.00 C ATOM 0 H ALA A 2 0.079 -8.606 20.095 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.206 -7.965 21.826 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.553 -5.860 20.527 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.022 -5.811 21.433 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.011 -6.134 19.682 1.00 0.00 H new ATOM 30 N GLU A 3 -3.817 -8.282 19.780 1.00 0.00 N ATOM 31 CA GLU A 3 -4.746 -8.869 18.793 1.00 0.00 C ATOM 32 C GLU A 3 -4.551 -8.327 17.369 1.00 0.00 C ATOM 33 O GLU A 3 -4.849 -9.025 16.396 1.00 0.00 O ATOM 34 CB GLU A 3 -6.199 -8.648 19.249 1.00 0.00 C ATOM 35 CG GLU A 3 -6.529 -9.392 20.552 1.00 0.00 C ATOM 36 CD GLU A 3 -8.011 -9.212 20.931 1.00 0.00 C ATOM 37 OE1 GLU A 3 -8.350 -8.222 21.627 1.00 0.00 O ATOM 38 OE2 GLU A 3 -8.851 -10.062 20.544 1.00 0.00 O ATOM 0 H GLU A 3 -4.279 -7.676 20.458 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.521 -9.935 18.748 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.373 -7.581 19.390 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.877 -8.981 18.463 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.306 -10.453 20.436 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.896 -9.020 21.358 1.00 0.00 H new ATOM 45 N SER A 4 -4.038 -7.100 17.237 1.00 0.00 N ATOM 46 CA SER A 4 -3.737 -6.451 15.957 1.00 0.00 C ATOM 47 C SER A 4 -2.735 -5.301 16.135 1.00 0.00 C ATOM 48 O SER A 4 -2.624 -4.722 17.219 1.00 0.00 O ATOM 49 CB SER A 4 -5.045 -5.946 15.346 1.00 0.00 C ATOM 50 OG SER A 4 -4.833 -5.476 14.024 1.00 0.00 O ATOM 0 H SER A 4 -3.814 -6.514 18.041 1.00 0.00 H new ATOM 0 HA SER A 4 -3.273 -7.175 15.287 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.782 -6.749 15.338 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.454 -5.144 15.961 1.00 0.00 H new ATOM 0 HG SER A 4 -5.681 -5.159 13.650 1.00 0.00 H new ATOM 56 N SER A 5 -1.984 -4.984 15.079 1.00 0.00 N ATOM 57 CA SER A 5 -0.999 -3.900 14.988 1.00 0.00 C ATOM 58 C SER A 5 -0.683 -3.673 13.510 1.00 0.00 C ATOM 59 O SER A 5 -0.534 -4.631 12.751 1.00 0.00 O ATOM 60 CB SER A 5 0.307 -4.254 15.715 1.00 0.00 C ATOM 61 OG SER A 5 0.157 -4.132 17.120 1.00 0.00 O ATOM 0 H SER A 5 -2.050 -5.510 14.208 1.00 0.00 H new ATOM 0 HA SER A 5 -1.418 -3.009 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.602 -5.273 15.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.107 -3.597 15.373 1.00 0.00 H new ATOM 0 HG SER A 5 -0.789 -4.226 17.357 1.00 0.00 H new ATOM 67 N ASP A 6 -0.622 -2.409 13.092 1.00 0.00 N ATOM 68 CA ASP A 6 -0.360 -1.947 11.716 1.00 0.00 C ATOM 69 C ASP A 6 -1.322 -2.436 10.603 1.00 0.00 C ATOM 70 O ASP A 6 -1.170 -2.021 9.454 1.00 0.00 O ATOM 71 CB ASP A 6 1.121 -2.151 11.350 1.00 0.00 C ATOM 72 CG ASP A 6 2.076 -1.502 12.365 1.00 0.00 C ATOM 73 OD1 ASP A 6 2.171 -0.251 12.393 1.00 0.00 O ATOM 74 OD2 ASP A 6 2.743 -2.234 13.136 1.00 0.00 O ATOM 0 H ASP A 6 -0.761 -1.630 13.736 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.590 -0.882 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.333 -3.219 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.308 -1.732 10.361 1.00 0.00 H new ATOM 79 N LYS A 7 -2.335 -3.245 10.957 1.00 0.00 N ATOM 80 CA LYS A 7 -3.363 -3.901 10.129 1.00 0.00 C ATOM 81 C LYS A 7 -2.793 -4.756 8.999 1.00 0.00 C ATOM 82 O LYS A 7 -1.609 -4.715 8.677 1.00 0.00 O ATOM 83 CB LYS A 7 -4.465 -2.911 9.697 1.00 0.00 C ATOM 84 CG LYS A 7 -5.133 -2.197 10.894 1.00 0.00 C ATOM 85 CD LYS A 7 -4.585 -0.777 11.066 1.00 0.00 C ATOM 86 CE LYS A 7 -5.009 -0.124 12.382 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.499 1.272 12.453 1.00 0.00 N ATOM 0 H LYS A 7 -2.468 -3.482 11.940 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.859 -4.634 10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.035 -2.165 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.226 -3.447 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.212 -2.158 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.960 -2.770 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.497 -0.806 11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.926 -0.160 10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.096 -0.126 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.625 -0.702 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.375 1.546 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.585 1.333 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.180 1.914 11.999 1.00 0.00 H new ATOM 101 N LEU A 8 -3.646 -5.580 8.395 1.00 0.00 N ATOM 102 CA LEU A 8 -3.284 -6.439 7.264 1.00 0.00 C ATOM 103 C LEU A 8 -2.606 -5.651 6.144 1.00 0.00 C ATOM 104 O LEU A 8 -1.767 -6.214 5.442 1.00 0.00 O ATOM 105 CB LEU A 8 -4.561 -7.046 6.654 1.00 0.00 C ATOM 106 CG LEU A 8 -5.448 -7.894 7.573 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.724 -8.236 6.806 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.747 -9.181 8.007 1.00 0.00 C ATOM 0 H LEU A 8 -4.621 -5.673 8.679 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.604 -7.199 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.167 -6.230 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.268 -7.664 5.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.671 -7.327 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.376 -8.840 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.239 -7.316 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.469 -8.796 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.408 -9.754 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.499 -9.775 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.833 -8.933 8.547 1.00 0.00 H new ATOM 120 N TYR A 9 -2.973 -4.374 5.992 1.00 0.00 N ATOM 121 CA TYR A 9 -2.626 -3.545 4.851 1.00 0.00 C ATOM 122 C TYR A 9 -2.176 -2.163 5.341 1.00 0.00 C ATOM 123 O TYR A 9 -2.685 -1.630 6.327 1.00 0.00 O ATOM 124 CB TYR A 9 -3.826 -3.454 3.892 1.00 0.00 C ATOM 125 CG TYR A 9 -4.502 -4.770 3.533 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.754 -5.865 3.058 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.890 -4.905 3.710 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.378 -7.105 2.816 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.521 -6.138 3.467 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.765 -7.252 3.040 1.00 0.00 C ATOM 131 OH TYR A 9 -6.367 -8.463 2.873 1.00 0.00 O ATOM 0 H TYR A 9 -3.537 -3.881 6.685 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.797 -3.990 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.572 -2.796 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.492 -2.978 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.695 -5.753 2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.475 -4.057 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.796 -7.942 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.588 -6.233 3.607 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.082 -8.384 2.207 1.00 0.00 H new ATOM 141 N ARG A 10 -1.219 -1.573 4.634 1.00 0.00 N ATOM 142 CA ARG A 10 -0.588 -0.275 4.915 1.00 0.00 C ATOM 143 C ARG A 10 -0.536 0.532 3.622 1.00 0.00 C ATOM 144 O ARG A 10 -0.391 -0.063 2.559 1.00 0.00 O ATOM 145 CB ARG A 10 0.801 -0.551 5.532 1.00 0.00 C ATOM 146 CG ARG A 10 1.799 0.618 5.628 1.00 0.00 C ATOM 147 CD ARG A 10 1.366 1.669 6.659 1.00 0.00 C ATOM 148 NE ARG A 10 2.252 2.848 6.687 1.00 0.00 N ATOM 149 CZ ARG A 10 2.051 3.941 7.405 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.127 4.065 8.310 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.782 4.997 7.243 1.00 0.00 N ATOM 0 H ARG A 10 -0.835 -2.010 3.796 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.153 0.321 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.647 -0.941 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.272 -1.344 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.782 0.232 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.898 1.090 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.349 1.991 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.346 1.213 7.649 1.00 0.00 H new ATOM 0 HE ARG A 10 3.089 2.818 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.497 3.287 8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.032 4.940 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.531 4.998 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.609 5.829 7.808 1.00 0.00 H new ATOM 165 N VAL A 11 -0.644 1.855 3.694 1.00 0.00 N ATOM 166 CA VAL A 11 -0.440 2.797 2.582 1.00 0.00 C ATOM 167 C VAL A 11 0.247 4.071 3.074 1.00 0.00 C ATOM 168 O VAL A 11 -0.005 4.518 4.193 1.00 0.00 O ATOM 169 CB VAL A 11 -1.782 3.108 1.892 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.662 4.094 2.671 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.577 3.693 0.489 1.00 0.00 C ATOM 0 H VAL A 11 -0.887 2.328 4.565 1.00 0.00 H new ATOM 0 HA VAL A 11 0.216 2.334 1.845 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.288 2.144 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.589 4.264 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.891 3.680 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.132 5.039 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.547 3.899 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.006 4.619 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.033 2.978 -0.127 1.00 0.00 H new ATOM 181 N GLU A 12 1.113 4.671 2.258 1.00 0.00 N ATOM 182 CA GLU A 12 1.712 5.980 2.539 1.00 0.00 C ATOM 183 C GLU A 12 2.345 6.643 1.320 1.00 0.00 C ATOM 184 O GLU A 12 2.745 5.994 0.350 1.00 0.00 O ATOM 185 CB GLU A 12 2.786 5.866 3.642 1.00 0.00 C ATOM 186 CG GLU A 12 4.016 5.022 3.257 1.00 0.00 C ATOM 187 CD GLU A 12 5.140 5.107 4.298 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.855 5.400 5.483 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.317 4.908 3.922 1.00 0.00 O ATOM 0 H GLU A 12 1.422 4.261 1.377 1.00 0.00 H new ATOM 0 HA GLU A 12 0.883 6.608 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.120 6.868 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.329 5.433 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.715 3.981 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.394 5.357 2.291 1.00 0.00 H new ATOM 196 N TYR A 13 2.544 7.952 1.457 1.00 0.00 N ATOM 197 CA TYR A 13 3.622 8.661 0.782 1.00 0.00 C ATOM 198 C TYR A 13 4.967 8.256 1.403 1.00 0.00 C ATOM 199 O TYR A 13 5.114 8.241 2.629 1.00 0.00 O ATOM 200 CB TYR A 13 3.371 10.169 0.898 1.00 0.00 C ATOM 201 CG TYR A 13 1.983 10.630 0.480 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.345 10.067 -0.644 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.329 11.634 1.221 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.105 10.567 -1.080 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.074 12.119 0.805 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.530 11.602 -0.361 1.00 0.00 C ATOM 207 OH TYR A 13 -1.726 12.094 -0.775 1.00 0.00 O ATOM 0 H TYR A 13 1.959 8.550 2.041 1.00 0.00 H new ATOM 0 HA TYR A 13 3.654 8.400 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.540 10.471 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.108 10.692 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.810 9.248 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.792 12.033 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.361 10.159 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.426 12.886 1.378 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.037 11.585 -1.553 1.00 0.00 H new ATOM 217 N ALA A 14 5.936 7.901 0.560 1.00 0.00 N ATOM 218 CA ALA A 14 7.215 7.319 0.955 1.00 0.00 C ATOM 219 C ALA A 14 8.206 8.359 1.525 1.00 0.00 C ATOM 220 O ALA A 14 8.493 9.371 0.880 1.00 0.00 O ATOM 221 CB ALA A 14 7.775 6.605 -0.280 1.00 0.00 C ATOM 0 H ALA A 14 5.848 8.015 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 14 7.064 6.617 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.735 6.152 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.079 5.829 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.910 7.325 -1.087 1.00 0.00 H new ATOM 227 N LYS A 15 8.768 8.084 2.714 1.00 0.00 N ATOM 228 CA LYS A 15 9.666 9.003 3.456 1.00 0.00 C ATOM 229 C LYS A 15 11.114 8.963 2.949 1.00 0.00 C ATOM 230 O LYS A 15 11.785 9.992 2.879 1.00 0.00 O ATOM 231 CB LYS A 15 9.651 8.674 4.966 1.00 0.00 C ATOM 232 CG LYS A 15 8.416 9.157 5.746 1.00 0.00 C ATOM 233 CD LYS A 15 7.118 8.469 5.319 1.00 0.00 C ATOM 234 CE LYS A 15 5.947 8.866 6.215 1.00 0.00 C ATOM 235 NZ LYS A 15 4.714 8.177 5.770 1.00 0.00 N ATOM 0 H LYS A 15 8.612 7.201 3.201 1.00 0.00 H new ATOM 0 HA LYS A 15 9.281 10.008 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.731 7.593 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.539 9.111 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.577 8.983 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.309 10.233 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.890 8.731 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.251 7.388 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.166 8.605 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.802 9.946 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.908 8.504 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.538 8.393 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.828 7.150 5.888 1.00 0.00 H new ATOM 249 N SER A 16 11.595 7.763 2.622 1.00 0.00 N ATOM 250 CA SER A 16 12.981 7.444 2.253 1.00 0.00 C ATOM 251 C SER A 16 13.000 6.186 1.368 1.00 0.00 C ATOM 252 O SER A 16 12.134 5.314 1.500 1.00 0.00 O ATOM 253 CB SER A 16 13.817 7.253 3.526 1.00 0.00 C ATOM 254 OG SER A 16 15.205 7.198 3.227 1.00 0.00 O ATOM 0 H SER A 16 10.996 6.938 2.606 1.00 0.00 H new ATOM 0 HA SER A 16 13.418 8.264 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.624 8.073 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.514 6.334 4.029 1.00 0.00 H new ATOM 0 HG SER A 16 15.699 7.757 3.862 1.00 0.00 H new ATOM 260 N GLY A 17 13.969 6.081 0.452 1.00 0.00 N ATOM 261 CA GLY A 17 14.024 5.076 -0.626 1.00 0.00 C ATOM 262 C GLY A 17 14.457 3.659 -0.209 1.00 0.00 C ATOM 263 O GLY A 17 15.041 2.927 -1.011 1.00 0.00 O ATOM 0 H GLY A 17 14.768 6.715 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.038 5.012 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.711 5.433 -1.393 1.00 0.00 H new ATOM 267 N ARG A 18 14.236 3.296 1.061 1.00 0.00 N ATOM 268 CA ARG A 18 14.885 2.169 1.765 1.00 0.00 C ATOM 269 C ARG A 18 14.209 0.809 1.560 1.00 0.00 C ATOM 270 O ARG A 18 14.851 -0.225 1.753 1.00 0.00 O ATOM 271 CB ARG A 18 14.972 2.498 3.259 1.00 0.00 C ATOM 272 CG ARG A 18 15.668 3.847 3.460 1.00 0.00 C ATOM 273 CD ARG A 18 16.229 3.961 4.866 1.00 0.00 C ATOM 274 NE ARG A 18 16.657 5.344 5.143 1.00 0.00 N ATOM 275 CZ ARG A 18 17.359 5.757 6.180 1.00 0.00 C ATOM 276 NH1 ARG A 18 17.767 4.963 7.124 1.00 0.00 N ATOM 277 NH2 ARG A 18 17.691 7.003 6.321 1.00 0.00 N ATOM 0 H ARG A 18 13.574 3.796 1.655 1.00 0.00 H new ATOM 0 HA ARG A 18 15.876 2.061 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.972 2.528 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.522 1.715 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.472 3.958 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.961 4.656 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.474 3.656 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.074 3.283 4.982 1.00 0.00 H new ATOM 0 HE ARG A 18 16.382 6.054 4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.547 3.968 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.308 5.335 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.409 7.688 5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.235 7.297 7.132 1.00 0.00 H new ATOM 291 N ALA A 19 12.924 0.815 1.208 1.00 0.00 N ATOM 292 CA ALA A 19 12.090 -0.372 1.049 1.00 0.00 C ATOM 293 C ALA A 19 12.277 -1.036 -0.328 1.00 0.00 C ATOM 294 O ALA A 19 12.613 -0.375 -1.314 1.00 0.00 O ATOM 295 CB ALA A 19 10.635 0.028 1.318 1.00 0.00 C ATOM 0 H ALA A 19 12.418 1.680 1.019 1.00 0.00 H new ATOM 0 HA ALA A 19 12.393 -1.132 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.991 -0.844 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.546 0.416 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.332 0.797 0.608 1.00 0.00 H new ATOM 301 N SER A 20 12.018 -2.342 -0.405 1.00 0.00 N ATOM 302 CA SER A 20 12.170 -3.155 -1.619 1.00 0.00 C ATOM 303 C SER A 20 10.845 -3.803 -2.003 1.00 0.00 C ATOM 304 O SER A 20 10.158 -4.364 -1.149 1.00 0.00 O ATOM 305 CB SER A 20 13.294 -4.186 -1.466 1.00 0.00 C ATOM 306 OG SER A 20 13.095 -5.039 -0.347 1.00 0.00 O ATOM 0 H SER A 20 11.688 -2.881 0.395 1.00 0.00 H new ATOM 0 HA SER A 20 12.460 -2.495 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.357 -4.788 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.247 -3.668 -1.360 1.00 0.00 H new ATOM 0 HG SER A 20 13.834 -5.681 -0.289 1.00 0.00 H new ATOM 312 N CYS A 21 10.481 -3.702 -3.281 1.00 0.00 N ATOM 313 CA CYS A 21 9.185 -4.140 -3.789 1.00 0.00 C ATOM 314 C CYS A 21 9.133 -5.668 -3.927 1.00 0.00 C ATOM 315 O CYS A 21 9.861 -6.267 -4.726 1.00 0.00 O ATOM 316 CB CYS A 21 8.937 -3.410 -5.106 1.00 0.00 C ATOM 317 SG CYS A 21 7.232 -3.698 -5.697 1.00 0.00 S ATOM 0 H CYS A 21 11.087 -3.308 -4.001 1.00 0.00 H new ATOM 0 HA CYS A 21 8.386 -3.890 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.104 -2.341 -4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.649 -3.752 -5.856 1.00 0.00 H new ATOM 322 N LYS A 22 8.262 -6.316 -3.146 1.00 0.00 N ATOM 323 CA LYS A 22 8.199 -7.789 -3.040 1.00 0.00 C ATOM 324 C LYS A 22 7.506 -8.466 -4.239 1.00 0.00 C ATOM 325 O LYS A 22 7.418 -9.695 -4.274 1.00 0.00 O ATOM 326 CB LYS A 22 7.587 -8.229 -1.690 1.00 0.00 C ATOM 327 CG LYS A 22 7.971 -7.389 -0.468 1.00 0.00 C ATOM 328 CD LYS A 22 9.460 -7.457 -0.116 1.00 0.00 C ATOM 329 CE LYS A 22 9.720 -6.529 1.071 1.00 0.00 C ATOM 330 NZ LYS A 22 11.172 -6.383 1.342 1.00 0.00 N ATOM 0 H LYS A 22 7.575 -5.837 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 22 9.231 -8.140 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.501 -8.218 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.880 -9.262 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.698 -6.350 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.388 -7.725 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.744 -8.479 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.066 -7.157 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.286 -5.549 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.222 -6.922 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.308 -5.875 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.609 -7.324 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.617 -5.847 0.570 1.00 0.00 H new ATOM 344 N LYS A 23 7.026 -7.682 -5.219 1.00 0.00 N ATOM 345 CA LYS A 23 6.356 -8.147 -6.450 1.00 0.00 C ATOM 346 C LYS A 23 7.222 -7.949 -7.698 1.00 0.00 C ATOM 347 O LYS A 23 7.508 -8.937 -8.376 1.00 0.00 O ATOM 348 CB LYS A 23 4.971 -7.482 -6.561 1.00 0.00 C ATOM 349 CG LYS A 23 4.162 -7.801 -7.831 1.00 0.00 C ATOM 350 CD LYS A 23 3.955 -9.305 -8.081 1.00 0.00 C ATOM 351 CE LYS A 23 2.974 -9.517 -9.241 1.00 0.00 C ATOM 352 NZ LYS A 23 2.767 -10.960 -9.531 1.00 0.00 N ATOM 0 H LYS A 23 7.096 -6.665 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 23 6.208 -9.225 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.379 -7.778 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.104 -6.402 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.188 -7.318 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.671 -7.367 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.910 -9.778 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.572 -9.782 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.018 -9.054 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.352 -9.017 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.098 -11.063 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.675 -11.396 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.382 -11.432 -8.688 1.00 0.00 H new ATOM 366 N CYS A 24 7.664 -6.717 -7.988 1.00 0.00 N ATOM 367 CA CYS A 24 8.471 -6.422 -9.185 1.00 0.00 C ATOM 368 C CYS A 24 10.005 -6.473 -8.963 1.00 0.00 C ATOM 369 O CYS A 24 10.776 -6.376 -9.922 1.00 0.00 O ATOM 370 CB CYS A 24 7.947 -5.162 -9.899 1.00 0.00 C ATOM 371 SG CYS A 24 8.485 -3.597 -9.116 1.00 0.00 S ATOM 0 H CYS A 24 7.475 -5.901 -7.406 1.00 0.00 H new ATOM 0 HA CYS A 24 8.328 -7.249 -9.880 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.285 -5.175 -10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.858 -5.193 -9.919 1.00 0.00 H new ATOM 376 N SER A 25 10.450 -6.723 -7.722 1.00 0.00 N ATOM 377 CA SER A 25 11.853 -6.886 -7.280 1.00 0.00 C ATOM 378 C SER A 25 12.770 -5.656 -7.433 1.00 0.00 C ATOM 379 O SER A 25 13.990 -5.757 -7.276 1.00 0.00 O ATOM 380 CB SER A 25 12.471 -8.195 -7.803 1.00 0.00 C ATOM 381 OG SER A 25 12.795 -8.144 -9.183 1.00 0.00 O ATOM 0 H SER A 25 9.798 -6.824 -6.944 1.00 0.00 H new ATOM 0 HA SER A 25 11.782 -6.970 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.372 -8.418 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.773 -9.014 -7.630 1.00 0.00 H new ATOM 0 HG SER A 25 12.244 -7.464 -9.624 1.00 0.00 H new ATOM 387 N GLU A 26 12.189 -4.478 -7.677 1.00 0.00 N ATOM 388 CA GLU A 26 12.878 -3.179 -7.644 1.00 0.00 C ATOM 389 C GLU A 26 12.897 -2.609 -6.206 1.00 0.00 C ATOM 390 O GLU A 26 12.467 -3.267 -5.256 1.00 0.00 O ATOM 391 CB GLU A 26 12.194 -2.210 -8.634 1.00 0.00 C ATOM 392 CG GLU A 26 12.181 -2.668 -10.104 1.00 0.00 C ATOM 393 CD GLU A 26 13.567 -2.573 -10.775 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.448 -3.426 -10.507 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.781 -1.649 -11.597 1.00 0.00 O ATOM 0 H GLU A 26 11.199 -4.396 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 26 13.916 -3.309 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.165 -2.054 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.696 -1.244 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.828 -3.698 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.470 -2.059 -10.663 1.00 0.00 H new ATOM 402 N SER A 27 13.371 -1.374 -6.024 1.00 0.00 N ATOM 403 CA SER A 27 13.318 -0.653 -4.742 1.00 0.00 C ATOM 404 C SER A 27 12.439 0.594 -4.833 1.00 0.00 C ATOM 405 O SER A 27 12.370 1.240 -5.878 1.00 0.00 O ATOM 406 CB SER A 27 14.708 -0.321 -4.197 1.00 0.00 C ATOM 407 OG SER A 27 15.609 -1.416 -4.312 1.00 0.00 O ATOM 0 H SER A 27 13.809 -0.836 -6.771 1.00 0.00 H new ATOM 0 HA SER A 27 12.856 -1.331 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.111 0.537 -4.735 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.625 -0.030 -3.150 1.00 0.00 H new ATOM 0 HG SER A 27 16.484 -1.159 -3.954 1.00 0.00 H new ATOM 413 N ILE A 28 11.729 0.926 -3.757 1.00 0.00 N ATOM 414 CA ILE A 28 10.609 1.877 -3.778 1.00 0.00 C ATOM 415 C ILE A 28 11.116 3.292 -3.428 1.00 0.00 C ATOM 416 O ILE A 28 11.618 3.481 -2.317 1.00 0.00 O ATOM 417 CB ILE A 28 9.491 1.404 -2.819 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.068 -0.065 -3.068 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.269 2.330 -2.964 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.260 -0.661 -1.911 1.00 0.00 C ATOM 0 H ILE A 28 11.914 0.539 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 28 10.181 1.919 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 28 9.889 1.452 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.476 -0.117 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.959 -0.671 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.480 1.999 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.555 3.352 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.906 2.296 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.994 -1.692 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.858 -0.640 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.352 -0.077 -1.762 1.00 0.00 H new ATOM 432 N PRO A 29 11.016 4.291 -4.330 1.00 0.00 N ATOM 433 CA PRO A 29 11.565 5.633 -4.112 1.00 0.00 C ATOM 434 C PRO A 29 10.749 6.476 -3.121 1.00 0.00 C ATOM 435 O PRO A 29 9.543 6.280 -2.959 1.00 0.00 O ATOM 436 CB PRO A 29 11.613 6.283 -5.499 1.00 0.00 C ATOM 437 CG PRO A 29 10.458 5.613 -6.241 1.00 0.00 C ATOM 438 CD PRO A 29 10.447 4.197 -5.669 1.00 0.00 C ATOM 0 HA PRO A 29 12.551 5.568 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.481 7.364 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.567 6.104 -5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.513 6.126 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.620 5.610 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.432 3.800 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.032 3.521 -6.293 1.00 0.00 H new ATOM 446 N LYS A 30 11.399 7.467 -2.494 1.00 0.00 N ATOM 447 CA LYS A 30 10.722 8.498 -1.685 1.00 0.00 C ATOM 448 C LYS A 30 9.879 9.446 -2.547 1.00 0.00 C ATOM 449 O LYS A 30 10.092 9.557 -3.755 1.00 0.00 O ATOM 450 CB LYS A 30 11.715 9.239 -0.778 1.00 0.00 C ATOM 451 CG LYS A 30 12.719 10.139 -1.517 1.00 0.00 C ATOM 452 CD LYS A 30 13.679 10.863 -0.560 1.00 0.00 C ATOM 453 CE LYS A 30 12.955 11.892 0.322 1.00 0.00 C ATOM 454 NZ LYS A 30 13.894 12.588 1.240 1.00 0.00 N ATOM 0 H LYS A 30 12.412 7.579 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 30 10.018 7.989 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.153 9.850 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.269 8.504 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.296 9.535 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.175 10.877 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.178 10.130 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.455 11.365 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.454 12.625 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.181 11.392 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.369 13.274 1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.353 11.891 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.618 13.086 0.684 1.00 0.00 H new ATOM 468 N ASP A 31 8.921 10.129 -1.917 1.00 0.00 N ATOM 469 CA ASP A 31 7.922 10.985 -2.581 1.00 0.00 C ATOM 470 C ASP A 31 7.123 10.252 -3.690 1.00 0.00 C ATOM 471 O ASP A 31 6.755 10.826 -4.717 1.00 0.00 O ATOM 472 CB ASP A 31 8.565 12.320 -3.008 1.00 0.00 C ATOM 473 CG ASP A 31 7.533 13.398 -3.396 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.534 13.582 -2.659 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.748 14.106 -4.410 1.00 0.00 O ATOM 0 H ASP A 31 8.811 10.105 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 31 7.147 11.236 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.182 12.695 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.229 12.141 -3.854 1.00 0.00 H new ATOM 480 N SER A 32 6.854 8.960 -3.467 1.00 0.00 N ATOM 481 CA SER A 32 5.960 8.106 -4.260 1.00 0.00 C ATOM 482 C SER A 32 4.903 7.464 -3.352 1.00 0.00 C ATOM 483 O SER A 32 5.004 7.548 -2.125 1.00 0.00 O ATOM 484 CB SER A 32 6.761 7.050 -5.040 1.00 0.00 C ATOM 485 OG SER A 32 7.150 5.958 -4.226 1.00 0.00 O ATOM 0 H SER A 32 7.276 8.455 -2.688 1.00 0.00 H new ATOM 0 HA SER A 32 5.442 8.722 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.160 6.683 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.649 7.515 -5.469 1.00 0.00 H new ATOM 0 HG SER A 32 7.984 6.178 -3.761 1.00 0.00 H new ATOM 491 N LEU A 33 3.880 6.835 -3.934 1.00 0.00 N ATOM 492 CA LEU A 33 2.818 6.152 -3.195 1.00 0.00 C ATOM 493 C LEU A 33 3.143 4.653 -3.097 1.00 0.00 C ATOM 494 O LEU A 33 3.390 3.995 -4.114 1.00 0.00 O ATOM 495 CB LEU A 33 1.469 6.446 -3.880 1.00 0.00 C ATOM 496 CG LEU A 33 0.243 5.928 -3.108 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.038 6.695 -1.821 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.012 6.026 -3.974 1.00 0.00 C ATOM 0 H LEU A 33 3.765 6.785 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 33 2.746 6.519 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.370 7.523 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.474 5.999 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 33 0.482 4.896 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.916 6.274 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.822 6.616 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.221 7.744 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.871 5.656 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.182 7.066 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.880 5.426 -4.875 1.00 0.00 H new ATOM 510 N ARG A 34 3.134 4.110 -1.876 1.00 0.00 N ATOM 511 CA ARG A 34 3.493 2.718 -1.570 1.00 0.00 C ATOM 512 C ARG A 34 2.531 2.088 -0.571 1.00 0.00 C ATOM 513 O ARG A 34 1.881 2.791 0.199 1.00 0.00 O ATOM 514 CB ARG A 34 4.975 2.626 -1.157 1.00 0.00 C ATOM 515 CG ARG A 34 5.387 3.290 0.169 1.00 0.00 C ATOM 516 CD ARG A 34 6.898 3.075 0.376 1.00 0.00 C ATOM 517 NE ARG A 34 7.403 3.699 1.612 1.00 0.00 N ATOM 518 CZ ARG A 34 8.651 3.996 1.919 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.659 3.808 1.113 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.891 4.536 3.075 1.00 0.00 N ATOM 0 H ARG A 34 2.869 4.641 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 34 3.385 2.119 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.244 1.571 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.574 3.067 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.156 4.355 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.826 2.859 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.107 2.006 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.438 3.484 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 34 6.702 3.929 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.504 3.410 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.602 4.059 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.123 4.721 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.847 4.775 3.337 1.00 0.00 H new ATOM 534 N MET A 35 2.438 0.763 -0.604 1.00 0.00 N ATOM 535 CA MET A 35 1.583 -0.060 0.256 1.00 0.00 C ATOM 536 C MET A 35 2.385 -1.181 0.920 1.00 0.00 C ATOM 537 O MET A 35 3.443 -1.546 0.423 1.00 0.00 O ATOM 538 CB MET A 35 0.387 -0.629 -0.532 1.00 0.00 C ATOM 539 CG MET A 35 -0.670 0.439 -0.829 1.00 0.00 C ATOM 540 SD MET A 35 -2.185 -0.138 -1.648 1.00 0.00 S ATOM 541 CE MET A 35 -3.023 -0.971 -0.268 1.00 0.00 C ATOM 0 H MET A 35 2.981 0.203 -1.261 1.00 0.00 H new ATOM 0 HA MET A 35 1.189 0.582 1.044 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.742 -1.057 -1.469 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.068 -1.440 0.037 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.949 0.916 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.214 1.208 -1.453 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.879 -1.529 -0.646 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.329 -1.656 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.364 -0.228 0.453 1.00 0.00 H new ATOM 551 N ALA A 36 1.916 -1.716 2.048 1.00 0.00 N ATOM 552 CA ALA A 36 2.588 -2.806 2.769 1.00 0.00 C ATOM 553 C ALA A 36 1.613 -3.853 3.332 1.00 0.00 C ATOM 554 O ALA A 36 0.408 -3.599 3.387 1.00 0.00 O ATOM 555 CB ALA A 36 3.513 -2.231 3.853 1.00 0.00 C ATOM 0 H ALA A 36 1.053 -1.405 2.493 1.00 0.00 H new ATOM 0 HA ALA A 36 3.197 -3.348 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.006 -3.047 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.265 -1.593 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.925 -1.644 4.559 1.00 0.00 H new ATOM 561 N ILE A 37 2.128 -5.017 3.759 1.00 0.00 N ATOM 562 CA ILE A 37 1.324 -6.142 4.266 1.00 0.00 C ATOM 563 C ILE A 37 1.881 -6.712 5.573 1.00 0.00 C ATOM 564 O ILE A 37 3.094 -6.879 5.684 1.00 0.00 O ATOM 565 CB ILE A 37 1.200 -7.209 3.148 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.105 -6.940 2.378 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.270 -8.666 3.633 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.288 -7.762 1.103 1.00 0.00 C ATOM 0 H ILE A 37 3.130 -5.206 3.762 1.00 0.00 H new ATOM 0 HA ILE A 37 0.326 -5.785 4.520 1.00 0.00 H new ATOM 0 HB ILE A 37 2.071 -7.107 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.947 -7.136 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.144 -5.882 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.174 -9.338 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.226 -8.840 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.459 -8.855 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.236 -7.500 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.529 -7.550 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.287 -8.823 1.351 1.00 0.00 H new ATOM 580 N MET A 38 1.019 -7.102 6.521 1.00 0.00 N ATOM 581 CA MET A 38 1.440 -7.868 7.706 1.00 0.00 C ATOM 582 C MET A 38 1.610 -9.363 7.409 1.00 0.00 C ATOM 583 O MET A 38 0.634 -10.108 7.305 1.00 0.00 O ATOM 584 CB MET A 38 0.475 -7.654 8.886 1.00 0.00 C ATOM 585 CG MET A 38 0.676 -6.335 9.634 1.00 0.00 C ATOM 586 SD MET A 38 2.196 -6.161 10.606 1.00 0.00 S ATOM 587 CE MET A 38 3.250 -5.422 9.339 1.00 0.00 C ATOM 0 H MET A 38 0.020 -6.899 6.491 1.00 0.00 H new ATOM 0 HA MET A 38 2.419 -7.483 7.989 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.549 -7.695 8.514 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.592 -8.478 9.590 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.646 -5.525 8.905 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.172 -6.193 10.304 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.032 -4.831 9.816 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.705 -6.210 8.739 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.650 -4.778 8.696 1.00 0.00 H new ATOM 597 N VAL A 39 2.868 -9.817 7.387 1.00 0.00 N ATOM 598 CA VAL A 39 3.260 -11.243 7.347 1.00 0.00 C ATOM 599 C VAL A 39 4.186 -11.594 8.514 1.00 0.00 C ATOM 600 O VAL A 39 4.927 -10.747 9.005 1.00 0.00 O ATOM 601 CB VAL A 39 3.875 -11.608 5.983 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.162 -10.839 5.700 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.139 -13.108 5.812 1.00 0.00 C ATOM 0 H VAL A 39 3.671 -9.188 7.397 1.00 0.00 H new ATOM 0 HA VAL A 39 2.361 -11.848 7.464 1.00 0.00 H new ATOM 0 HB VAL A 39 3.116 -11.315 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.555 -11.133 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.954 -9.769 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.898 -11.065 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.572 -13.291 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.832 -13.446 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.201 -13.655 5.903 1.00 0.00 H new ATOM 613 N GLN A 40 4.140 -12.839 8.988 1.00 0.00 N ATOM 614 CA GLN A 40 5.021 -13.354 10.048 1.00 0.00 C ATOM 615 C GLN A 40 6.454 -13.583 9.536 1.00 0.00 C ATOM 616 O GLN A 40 6.663 -14.136 8.454 1.00 0.00 O ATOM 617 CB GLN A 40 4.420 -14.617 10.694 1.00 0.00 C ATOM 618 CG GLN A 40 3.765 -15.582 9.687 1.00 0.00 C ATOM 619 CD GLN A 40 3.352 -16.927 10.294 1.00 0.00 C ATOM 620 OE1 GLN A 40 3.440 -17.180 11.490 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.873 -17.851 9.487 1.00 0.00 N ATOM 0 H GLN A 40 3.479 -13.535 8.643 1.00 0.00 H new ATOM 0 HA GLN A 40 5.092 -12.594 10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.206 -15.147 11.232 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.676 -14.317 11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.885 -15.102 9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.460 -15.763 8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.791 -17.663 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.584 -18.755 9.861 1.00 0.00 H new ATOM 630 N SER A 41 7.447 -13.154 10.319 1.00 0.00 N ATOM 631 CA SER A 41 8.860 -13.165 9.929 1.00 0.00 C ATOM 632 C SER A 41 9.587 -14.471 10.258 1.00 0.00 C ATOM 633 O SER A 41 9.433 -15.000 11.364 1.00 0.00 O ATOM 634 CB SER A 41 9.592 -12.013 10.607 1.00 0.00 C ATOM 635 OG SER A 41 10.922 -11.932 10.121 1.00 0.00 O ATOM 0 H SER A 41 7.290 -12.783 11.256 1.00 0.00 H new ATOM 0 HA SER A 41 8.870 -13.060 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.069 -11.076 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.599 -12.161 11.687 1.00 0.00 H new ATOM 0 HG SER A 41 10.982 -12.386 9.254 1.00 0.00 H new ATOM 641 N PRO A 42 10.469 -14.943 9.357 1.00 0.00 N ATOM 642 CA PRO A 42 11.455 -15.968 9.679 1.00 0.00 C ATOM 643 C PRO A 42 12.620 -15.480 10.564 1.00 0.00 C ATOM 644 O PRO A 42 13.344 -16.305 11.124 1.00 0.00 O ATOM 645 CB PRO A 42 11.970 -16.494 8.330 1.00 0.00 C ATOM 646 CG PRO A 42 10.916 -16.051 7.317 1.00 0.00 C ATOM 647 CD PRO A 42 10.404 -14.745 7.918 1.00 0.00 C ATOM 0 HA PRO A 42 10.980 -16.744 10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.949 -16.079 8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.077 -17.579 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.344 -15.901 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.120 -16.788 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.018 -13.900 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.385 -14.534 7.594 1.00 0.00 H new ATOM 655 N MET A 43 12.827 -14.158 10.675 1.00 0.00 N ATOM 656 CA MET A 43 13.979 -13.531 11.353 1.00 0.00 C ATOM 657 C MET A 43 13.601 -12.720 12.607 1.00 0.00 C ATOM 658 O MET A 43 14.431 -12.555 13.503 1.00 0.00 O ATOM 659 CB MET A 43 14.721 -12.628 10.357 1.00 0.00 C ATOM 660 CG MET A 43 15.452 -13.438 9.277 1.00 0.00 C ATOM 661 SD MET A 43 15.501 -12.644 7.649 1.00 0.00 S ATOM 662 CE MET A 43 13.768 -12.907 7.187 1.00 0.00 C ATOM 0 H MET A 43 12.180 -13.473 10.285 1.00 0.00 H new ATOM 0 HA MET A 43 14.618 -14.344 11.699 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.010 -11.951 9.883 1.00 0.00 H new ATOM 0 HB3 MET A 43 15.440 -12.010 10.895 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.474 -13.623 9.608 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.968 -14.410 9.179 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.716 -13.276 6.163 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.319 -13.639 7.859 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.225 -11.965 7.261 1.00 0.00 H new ATOM 672 N PHE A 44 12.363 -12.220 12.681 1.00 0.00 N ATOM 673 CA PHE A 44 11.830 -11.395 13.772 1.00 0.00 C ATOM 674 C PHE A 44 10.743 -12.133 14.576 1.00 0.00 C ATOM 675 O PHE A 44 10.091 -13.058 14.091 1.00 0.00 O ATOM 676 CB PHE A 44 11.349 -10.049 13.196 1.00 0.00 C ATOM 677 CG PHE A 44 10.709 -9.114 14.204 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.502 -8.466 15.171 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.314 -8.918 14.200 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.902 -7.632 16.133 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.715 -8.080 15.159 1.00 0.00 C ATOM 682 CZ PHE A 44 9.509 -7.440 16.127 1.00 0.00 C ATOM 0 H PHE A 44 11.673 -12.387 11.949 1.00 0.00 H new ATOM 0 HA PHE A 44 12.623 -11.192 14.492 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.199 -9.541 12.740 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.632 -10.247 12.400 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.572 -8.609 15.174 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.703 -9.412 13.459 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.512 -7.139 16.876 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.646 -7.929 15.151 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.049 -6.801 16.866 1.00 0.00 H new ATOM 692 N ASP A 45 10.535 -11.710 15.823 1.00 0.00 N ATOM 693 CA ASP A 45 9.664 -12.355 16.820 1.00 0.00 C ATOM 694 C ASP A 45 8.196 -11.880 16.728 1.00 0.00 C ATOM 695 O ASP A 45 7.555 -11.565 17.736 1.00 0.00 O ATOM 696 CB ASP A 45 10.275 -12.180 18.223 1.00 0.00 C ATOM 697 CG ASP A 45 11.651 -12.855 18.346 1.00 0.00 C ATOM 698 OD1 ASP A 45 11.706 -14.106 18.439 1.00 0.00 O ATOM 699 OD2 ASP A 45 12.682 -12.140 18.368 1.00 0.00 O ATOM 0 H ASP A 45 10.987 -10.871 16.187 1.00 0.00 H new ATOM 0 HA ASP A 45 9.616 -13.422 16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.372 -11.117 18.445 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.598 -12.600 18.967 1.00 0.00 H new ATOM 704 N GLY A 46 7.662 -11.780 15.507 1.00 0.00 N ATOM 705 CA GLY A 46 6.342 -11.225 15.220 1.00 0.00 C ATOM 706 C GLY A 46 6.125 -10.985 13.726 1.00 0.00 C ATOM 707 O GLY A 46 6.641 -11.717 12.873 1.00 0.00 O ATOM 0 H GLY A 46 8.153 -12.093 14.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.576 -11.906 15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.221 -10.285 15.758 1.00 0.00 H new ATOM 711 N LYS A 47 5.349 -9.946 13.412 1.00 0.00 N ATOM 712 CA LYS A 47 4.908 -9.593 12.056 1.00 0.00 C ATOM 713 C LYS A 47 5.743 -8.429 11.510 1.00 0.00 C ATOM 714 O LYS A 47 6.115 -7.522 12.258 1.00 0.00 O ATOM 715 CB LYS A 47 3.400 -9.274 12.061 1.00 0.00 C ATOM 716 CG LYS A 47 2.510 -10.387 12.669 1.00 0.00 C ATOM 717 CD LYS A 47 2.028 -11.495 11.723 1.00 0.00 C ATOM 718 CE LYS A 47 1.116 -10.958 10.614 1.00 0.00 C ATOM 719 NZ LYS A 47 0.291 -12.027 9.985 1.00 0.00 N ATOM 0 H LYS A 47 4.996 -9.302 14.120 1.00 0.00 H new ATOM 0 HA LYS A 47 5.064 -10.441 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.238 -8.352 12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.078 -9.087 11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.063 -10.855 13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.633 -9.914 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.891 -11.987 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.492 -12.251 12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.459 -10.193 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.725 -10.476 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.307 -11.612 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.915 -12.746 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.312 -12.471 10.707 1.00 0.00 H new ATOM 733 N VAL A 48 6.035 -8.460 10.212 1.00 0.00 N ATOM 734 CA VAL A 48 6.884 -7.494 9.496 1.00 0.00 C ATOM 735 C VAL A 48 6.188 -6.970 8.230 1.00 0.00 C ATOM 736 O VAL A 48 5.473 -7.736 7.577 1.00 0.00 O ATOM 737 CB VAL A 48 8.262 -8.093 9.142 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.102 -8.296 10.411 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.180 -9.414 8.363 1.00 0.00 C ATOM 0 H VAL A 48 5.673 -9.189 9.598 1.00 0.00 H new ATOM 0 HA VAL A 48 7.047 -6.655 10.172 1.00 0.00 H new ATOM 0 HB VAL A 48 8.741 -7.368 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.070 -8.719 10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.250 -7.337 10.907 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.583 -8.977 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.187 -9.774 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.648 -10.155 8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.647 -9.251 7.426 1.00 0.00 H new ATOM 749 N PRO A 49 6.355 -5.681 7.869 1.00 0.00 N ATOM 750 CA PRO A 49 5.658 -5.084 6.732 1.00 0.00 C ATOM 751 C PRO A 49 6.329 -5.433 5.395 1.00 0.00 C ATOM 752 O PRO A 49 7.493 -5.102 5.155 1.00 0.00 O ATOM 753 CB PRO A 49 5.652 -3.577 7.006 1.00 0.00 C ATOM 754 CG PRO A 49 6.935 -3.361 7.810 1.00 0.00 C ATOM 755 CD PRO A 49 7.067 -4.652 8.618 1.00 0.00 C ATOM 0 HA PRO A 49 4.644 -5.472 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.655 -3.000 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.769 -3.274 7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.795 -3.204 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.861 -2.487 8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.115 -4.922 8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.641 -4.532 9.614 1.00 0.00 H new ATOM 763 N HIS A 50 5.586 -6.074 4.489 1.00 0.00 N ATOM 764 CA HIS A 50 6.018 -6.340 3.111 1.00 0.00 C ATOM 765 C HIS A 50 5.605 -5.195 2.202 1.00 0.00 C ATOM 766 O HIS A 50 4.466 -5.161 1.753 1.00 0.00 O ATOM 767 CB HIS A 50 5.488 -7.706 2.640 1.00 0.00 C ATOM 768 CG HIS A 50 6.417 -8.829 3.020 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.637 -9.998 2.288 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.217 -8.842 4.123 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.558 -10.693 2.978 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.938 -10.015 4.076 1.00 0.00 N ATOM 0 H HIS A 50 4.652 -6.429 4.694 1.00 0.00 H new ATOM 0 HA HIS A 50 7.106 -6.397 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.505 -7.884 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.359 -7.692 1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.275 -8.080 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.940 -11.661 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.637 -10.316 4.755 1.00 0.00 H new ATOM 780 N TRP A 51 6.519 -4.252 1.963 1.00 0.00 N ATOM 781 CA TRP A 51 6.266 -3.056 1.156 1.00 0.00 C ATOM 782 C TRP A 51 6.299 -3.374 -0.345 1.00 0.00 C ATOM 783 O TRP A 51 7.177 -4.083 -0.825 1.00 0.00 O ATOM 784 CB TRP A 51 7.317 -1.981 1.452 1.00 0.00 C ATOM 785 CG TRP A 51 7.387 -1.491 2.864 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.244 -1.946 3.807 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.589 -0.451 3.514 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.033 -1.270 4.991 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.014 -0.351 4.874 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.535 0.402 3.106 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.429 0.539 5.784 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.920 1.281 4.025 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.378 1.363 5.353 1.00 0.00 C ATOM 0 H TRP A 51 7.470 -4.298 2.330 1.00 0.00 H new ATOM 0 HA TRP A 51 5.273 -2.693 1.420 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.296 -2.375 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.124 -1.127 0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.981 -2.721 3.656 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.565 -1.431 5.846 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.197 0.380 2.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.782 0.590 6.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.091 1.895 3.706 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.921 2.060 6.040 1.00 0.00 H new ATOM 804 N TYR A 52 5.394 -2.777 -1.105 1.00 0.00 N ATOM 805 CA TYR A 52 5.377 -2.771 -2.563 1.00 0.00 C ATOM 806 C TYR A 52 5.048 -1.350 -3.048 1.00 0.00 C ATOM 807 O TYR A 52 4.497 -0.539 -2.295 1.00 0.00 O ATOM 808 CB TYR A 52 4.355 -3.778 -3.126 1.00 0.00 C ATOM 809 CG TYR A 52 4.126 -5.113 -2.433 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.402 -5.192 -1.225 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.511 -6.297 -3.088 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.095 -6.449 -0.662 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.180 -7.552 -2.547 1.00 0.00 C ATOM 814 CZ TYR A 52 3.482 -7.633 -1.325 1.00 0.00 C ATOM 815 OH TYR A 52 3.184 -8.854 -0.800 1.00 0.00 O ATOM 0 H TYR A 52 4.613 -2.258 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 52 6.359 -3.074 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.392 -3.269 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.649 -3.995 -4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.082 -4.288 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.065 -6.242 -4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.564 -6.505 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.461 -8.455 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 52 3.526 -9.557 -1.391 1.00 0.00 H new ATOM 825 N HIS A 53 5.313 -1.040 -4.321 1.00 0.00 N ATOM 826 CA HIS A 53 4.669 0.120 -4.966 1.00 0.00 C ATOM 827 C HIS A 53 3.134 0.013 -4.819 1.00 0.00 C ATOM 828 O HIS A 53 2.596 -1.096 -4.772 1.00 0.00 O ATOM 829 CB HIS A 53 5.046 0.213 -6.455 1.00 0.00 C ATOM 830 CG HIS A 53 6.517 0.337 -6.786 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.342 -0.645 -7.346 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.237 1.494 -6.689 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.529 -0.061 -7.568 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.495 1.226 -7.185 1.00 0.00 N ATOM 0 H HIS A 53 5.955 -1.561 -4.919 1.00 0.00 H new ATOM 0 HA HIS A 53 5.023 1.024 -4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.659 -0.673 -6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.529 1.073 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.887 2.438 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.390 -0.555 -7.994 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.266 1.890 -7.250 1.00 0.00 H new ATOM 842 N PHE A 54 2.407 1.135 -4.768 1.00 0.00 N ATOM 843 CA PHE A 54 0.939 1.116 -4.652 1.00 0.00 C ATOM 844 C PHE A 54 0.276 0.269 -5.753 1.00 0.00 C ATOM 845 O PHE A 54 -0.623 -0.515 -5.462 1.00 0.00 O ATOM 846 CB PHE A 54 0.388 2.550 -4.651 1.00 0.00 C ATOM 847 CG PHE A 54 -1.053 2.684 -5.127 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.131 2.522 -4.234 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.311 2.930 -6.491 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.455 2.567 -4.712 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.633 2.964 -6.966 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.703 2.757 -6.081 1.00 0.00 C ATOM 0 H PHE A 54 2.810 2.071 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 54 0.691 0.642 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.460 2.951 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.024 3.168 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.942 2.363 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.490 3.093 -7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.281 2.455 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.826 3.149 -8.012 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.717 2.744 -6.453 1.00 0.00 H new ATOM 862 N SER A 55 0.743 0.369 -7.002 1.00 0.00 N ATOM 863 CA SER A 55 0.195 -0.389 -8.133 1.00 0.00 C ATOM 864 C SER A 55 0.533 -1.876 -8.016 1.00 0.00 C ATOM 865 O SER A 55 -0.296 -2.725 -8.343 1.00 0.00 O ATOM 866 CB SER A 55 0.663 0.205 -9.470 1.00 0.00 C ATOM 867 OG SER A 55 2.077 0.170 -9.627 1.00 0.00 O ATOM 0 H SER A 55 1.517 0.982 -7.259 1.00 0.00 H new ATOM 0 HA SER A 55 -0.891 -0.306 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.198 -0.344 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.320 1.237 -9.543 1.00 0.00 H new ATOM 0 HG SER A 55 2.489 0.830 -9.031 1.00 0.00 H new ATOM 873 N CYS A 56 1.720 -2.200 -7.494 1.00 0.00 N ATOM 874 CA CYS A 56 2.200 -3.561 -7.306 1.00 0.00 C ATOM 875 C CYS A 56 1.376 -4.368 -6.282 1.00 0.00 C ATOM 876 O CYS A 56 1.151 -5.559 -6.488 1.00 0.00 O ATOM 877 CB CYS A 56 3.686 -3.528 -6.947 1.00 0.00 C ATOM 878 SG CYS A 56 4.704 -2.965 -8.361 1.00 0.00 S ATOM 0 H CYS A 56 2.390 -1.496 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 56 2.068 -4.092 -8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.842 -2.863 -6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.009 -4.522 -6.637 1.00 0.00 H new ATOM 883 N PHE A 57 0.869 -3.734 -5.220 1.00 0.00 N ATOM 884 CA PHE A 57 -0.093 -4.345 -4.288 1.00 0.00 C ATOM 885 C PHE A 57 -1.277 -4.990 -5.038 1.00 0.00 C ATOM 886 O PHE A 57 -1.621 -6.152 -4.813 1.00 0.00 O ATOM 887 CB PHE A 57 -0.580 -3.275 -3.305 1.00 0.00 C ATOM 888 CG PHE A 57 -1.528 -3.799 -2.244 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.880 -4.022 -2.564 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.067 -4.063 -0.941 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.765 -4.519 -1.595 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.962 -4.527 0.039 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.307 -4.767 -0.291 1.00 0.00 C ATOM 0 H PHE A 57 1.115 -2.774 -4.978 1.00 0.00 H new ATOM 0 HA PHE A 57 0.404 -5.145 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.284 -2.825 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.078 -2.483 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.238 -3.810 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.027 -3.909 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.796 -4.710 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.615 -4.699 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.988 -5.142 0.458 1.00 0.00 H new ATOM 903 N TRP A 58 -1.861 -4.266 -5.997 1.00 0.00 N ATOM 904 CA TRP A 58 -2.983 -4.748 -6.814 1.00 0.00 C ATOM 905 C TRP A 58 -2.551 -5.697 -7.952 1.00 0.00 C ATOM 906 O TRP A 58 -3.391 -6.422 -8.486 1.00 0.00 O ATOM 907 CB TRP A 58 -3.801 -3.553 -7.319 1.00 0.00 C ATOM 908 CG TRP A 58 -4.086 -2.504 -6.281 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.430 -1.329 -6.183 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.037 -2.516 -5.165 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.864 -0.634 -5.074 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.871 -1.305 -4.419 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.031 -3.412 -4.710 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.656 -0.996 -3.298 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.815 -3.116 -3.579 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.634 -1.909 -2.882 1.00 0.00 C ATOM 0 H TRP A 58 -1.566 -3.318 -6.232 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.619 -5.362 -6.177 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.267 -3.089 -8.148 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.748 -3.920 -7.715 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.675 -0.983 -6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.486 0.265 -4.776 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.192 -4.340 -5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.509 -0.069 -2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.561 -3.822 -3.244 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.250 -1.685 -2.024 1.00 0.00 H new ATOM 927 N LYS A 59 -1.247 -5.773 -8.274 1.00 0.00 N ATOM 928 CA LYS A 59 -0.658 -6.834 -9.123 1.00 0.00 C ATOM 929 C LYS A 59 -0.490 -8.151 -8.354 1.00 0.00 C ATOM 930 O LYS A 59 -0.540 -9.217 -8.970 1.00 0.00 O ATOM 931 CB LYS A 59 0.687 -6.396 -9.728 1.00 0.00 C ATOM 932 CG LYS A 59 0.548 -5.202 -10.683 1.00 0.00 C ATOM 933 CD LYS A 59 1.913 -4.570 -11.013 1.00 0.00 C ATOM 934 CE LYS A 59 1.745 -3.048 -11.097 1.00 0.00 C ATOM 935 NZ LYS A 59 3.010 -2.329 -10.804 1.00 0.00 N ATOM 0 H LYS A 59 -0.561 -5.092 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.360 -7.005 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.374 -6.134 -8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.130 -7.235 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.066 -5.528 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.101 -4.451 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.643 -4.827 -10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.291 -4.961 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.397 -2.777 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.976 -2.729 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.798 -1.443 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.619 -2.927 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.501 -2.112 -11.695 1.00 0.00 H new ATOM 949 N VAL A 60 -0.330 -8.105 -7.023 1.00 0.00 N ATOM 950 CA VAL A 60 -0.477 -9.295 -6.152 1.00 0.00 C ATOM 951 C VAL A 60 -1.962 -9.661 -6.004 1.00 0.00 C ATOM 952 O VAL A 60 -2.315 -10.842 -5.990 1.00 0.00 O ATOM 953 CB VAL A 60 0.181 -9.090 -4.771 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.140 -10.371 -3.927 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.658 -8.703 -4.888 1.00 0.00 C ATOM 0 H VAL A 60 -0.097 -7.251 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 60 0.046 -10.123 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.391 -8.291 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.613 -10.186 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.896 -10.671 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.674 -11.166 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.079 -8.569 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.201 -9.492 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.747 -7.772 -5.447 1.00 0.00 H new ATOM 965 N GLY A 61 -2.843 -8.655 -5.978 1.00 0.00 N ATOM 966 CA GLY A 61 -4.296 -8.823 -6.110 1.00 0.00 C ATOM 967 C GLY A 61 -5.044 -9.082 -4.798 1.00 0.00 C ATOM 968 O GLY A 61 -6.115 -9.693 -4.818 1.00 0.00 O ATOM 0 H GLY A 61 -2.561 -7.682 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.709 -7.927 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.490 -9.653 -6.790 1.00 0.00 H new ATOM 972 N HIS A 62 -4.504 -8.634 -3.659 1.00 0.00 N ATOM 973 CA HIS A 62 -5.210 -8.676 -2.369 1.00 0.00 C ATOM 974 C HIS A 62 -6.468 -7.794 -2.396 1.00 0.00 C ATOM 975 O HIS A 62 -6.424 -6.645 -2.843 1.00 0.00 O ATOM 976 CB HIS A 62 -4.276 -8.255 -1.225 1.00 0.00 C ATOM 977 CG HIS A 62 -3.264 -9.312 -0.867 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.486 -10.380 0.008 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.987 -9.385 -1.340 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.332 -11.068 0.047 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.418 -10.496 -0.756 1.00 0.00 N ATOM 0 H HIS A 62 -3.568 -8.233 -3.603 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.526 -9.704 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.753 -7.342 -1.509 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.874 -8.020 -0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.515 -8.706 -2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.163 -11.955 0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.465 -10.828 -0.907 1.00 0.00 H new ATOM 989 N SER A 63 -7.587 -8.329 -1.903 1.00 0.00 N ATOM 990 CA SER A 63 -8.866 -7.610 -1.792 1.00 0.00 C ATOM 991 C SER A 63 -9.018 -6.942 -0.425 1.00 0.00 C ATOM 992 O SER A 63 -8.560 -7.464 0.593 1.00 0.00 O ATOM 993 CB SER A 63 -10.049 -8.547 -2.062 1.00 0.00 C ATOM 994 OG SER A 63 -10.020 -9.023 -3.398 1.00 0.00 O ATOM 0 H SER A 63 -7.635 -9.290 -1.563 1.00 0.00 H new ATOM 0 HA SER A 63 -8.864 -6.827 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.017 -9.389 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.985 -8.020 -1.879 1.00 0.00 H new ATOM 0 HG SER A 63 -10.782 -9.620 -3.549 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.685 -5.789 -0.406 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.891 -4.942 0.775 1.00 0.00 C ATOM 1002 C ILE A 64 -11.366 -4.511 0.782 1.00 0.00 C ATOM 1003 O ILE A 64 -11.873 -4.026 -0.234 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.909 -3.742 0.756 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.460 -4.128 0.364 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.924 -3.043 2.122 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.441 -2.989 0.503 1.00 0.00 C ATOM 0 H ILE A 64 -10.115 -5.401 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.680 -5.484 1.697 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.258 -3.063 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.139 -4.964 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.457 -4.478 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.233 -2.200 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.931 -2.684 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.619 -3.748 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.454 -3.346 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.733 -2.159 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.411 -2.652 1.539 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.072 -4.740 1.894 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.549 -4.644 1.999 1.00 0.00 C ATOM 1021 C ARG A 65 -14.029 -3.518 2.919 1.00 0.00 C ATOM 1022 O ARG A 65 -15.154 -3.042 2.764 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.182 -6.011 2.355 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.446 -6.844 3.424 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.370 -7.758 2.813 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.138 -7.774 3.620 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.071 -8.523 3.423 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.006 -9.451 2.511 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.034 -8.320 4.168 1.00 0.00 N ATOM 0 H ARG A 65 -11.629 -5.005 2.774 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.905 -4.367 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.202 -5.837 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.249 -6.605 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.982 -6.174 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.169 -7.451 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.761 -8.772 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.138 -7.420 1.803 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.107 -7.138 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.807 -9.628 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.154 -10.001 2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.056 -7.595 4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.194 -8.884 4.038 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.169 -3.044 3.820 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.343 -1.808 4.590 1.00 0.00 C ATOM 1045 C HIS A 66 -12.011 -1.051 4.682 1.00 0.00 C ATOM 1046 O HIS A 66 -11.415 -0.963 5.754 1.00 0.00 O ATOM 1047 CB HIS A 66 -14.081 -2.045 5.931 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.586 -3.098 6.907 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.113 -4.343 6.608 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.714 -3.012 8.299 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.903 -5.001 7.797 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.276 -4.183 8.792 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.299 -3.527 4.044 1.00 0.00 H new ATOM 0 HA HIS A 66 -14.021 -1.140 4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -14.095 -1.094 6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -15.115 -2.290 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -14.090 -2.172 8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.508 -6.000 7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.233 -4.417 9.784 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.503 -0.504 3.555 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.150 0.052 3.472 1.00 0.00 C ATOM 1062 C PRO A 67 -9.878 1.231 4.413 1.00 0.00 C ATOM 1063 O PRO A 67 -8.739 1.419 4.830 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.954 0.466 2.005 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.379 0.635 1.486 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.140 -0.442 2.246 1.00 0.00 C ATOM 0 HA PRO A 67 -9.438 -0.706 3.799 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.385 1.392 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.410 -0.294 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.770 1.631 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.438 0.488 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.197 -0.191 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.082 -1.402 1.733 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.910 1.975 4.817 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.801 3.049 5.812 1.00 0.00 C ATOM 1076 C ASP A 68 -10.380 2.520 7.199 1.00 0.00 C ATOM 1077 O ASP A 68 -9.789 3.243 8.005 1.00 0.00 O ATOM 1078 CB ASP A 68 -12.170 3.747 5.855 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.172 5.117 6.548 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.251 5.185 7.797 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.193 6.135 5.813 1.00 0.00 O ATOM 0 H ASP A 68 -11.857 1.849 4.459 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.017 3.752 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.531 3.871 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.878 3.096 6.367 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.641 1.232 7.446 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.312 0.488 8.666 1.00 0.00 C ATOM 1088 C VAL A 69 -9.077 -0.401 8.469 1.00 0.00 C ATOM 1089 O VAL A 69 -8.237 -0.511 9.363 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.519 -0.379 9.092 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.303 -1.011 10.471 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.826 0.426 9.135 1.00 0.00 C ATOM 0 H VAL A 69 -11.116 0.647 6.759 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.083 1.211 9.449 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.601 -1.159 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.172 -1.613 10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.417 -1.645 10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.166 -0.225 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.645 -0.226 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.727 1.242 9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.035 0.834 8.146 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.955 -1.038 7.301 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.956 -2.093 7.040 1.00 0.00 C ATOM 1104 C GLU A 70 -6.632 -1.574 6.485 1.00 0.00 C ATOM 1105 O GLU A 70 -5.603 -2.214 6.698 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.506 -3.135 6.049 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.742 -3.909 6.510 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.153 -4.945 5.447 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.776 -4.580 4.420 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.868 -6.151 5.631 1.00 0.00 O ATOM 0 H GLU A 70 -9.551 -0.838 6.498 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.760 -2.537 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.747 -2.628 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.714 -3.851 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.533 -4.411 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.565 -3.218 6.691 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.643 -0.440 5.784 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.438 0.219 5.276 1.00 0.00 C ATOM 1119 C VAL A 71 -4.961 1.238 6.301 1.00 0.00 C ATOM 1120 O VAL A 71 -5.480 2.346 6.430 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.637 0.800 3.878 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.276 1.249 3.369 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.138 -0.285 2.920 1.00 0.00 C ATOM 0 H VAL A 71 -7.503 0.055 5.549 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.649 -0.521 5.147 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.356 1.618 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.382 1.670 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.868 2.005 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.601 0.394 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.276 0.142 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.407 -1.092 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.088 -0.678 3.281 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.939 0.842 7.042 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.188 1.703 7.941 1.00 0.00 C ATOM 1135 C ASP A 72 -2.433 2.791 7.160 1.00 0.00 C ATOM 1136 O ASP A 72 -1.973 2.557 6.046 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.246 0.798 8.725 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.554 1.556 9.860 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -0.484 2.155 9.602 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -2.119 1.593 10.980 1.00 0.00 O ATOM 0 H ASP A 72 -3.598 -0.119 7.034 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.849 2.237 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.805 -0.042 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.495 0.383 8.053 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.330 3.999 7.712 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.681 5.139 7.049 1.00 0.00 C ATOM 1147 C GLY A 73 -2.535 5.814 5.969 1.00 0.00 C ATOM 1148 O GLY A 73 -2.124 6.820 5.396 1.00 0.00 O ATOM 0 H GLY A 73 -2.696 4.220 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.418 5.881 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.749 4.799 6.598 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.765 5.341 5.749 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.775 6.012 4.924 1.00 0.00 C ATOM 1154 C PHE A 74 -5.081 7.438 5.431 1.00 0.00 C ATOM 1155 O PHE A 74 -5.379 8.334 4.642 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.015 5.112 4.932 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.177 5.594 4.096 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.247 5.250 2.734 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.205 6.352 4.687 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.346 5.663 1.965 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.299 6.773 3.914 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.368 6.426 2.555 1.00 0.00 C ATOM 0 H PHE A 74 -4.094 4.462 6.148 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.413 6.150 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.725 4.121 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.354 5.000 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.457 4.669 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.152 6.610 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.406 5.395 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.085 7.362 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.211 6.747 1.960 1.00 0.00 H new ATOM 1172 N SER A 75 -4.922 7.679 6.736 1.00 0.00 N ATOM 1173 CA SER A 75 -4.970 8.995 7.390 1.00 0.00 C ATOM 1174 C SER A 75 -3.806 9.935 7.032 1.00 0.00 C ATOM 1175 O SER A 75 -3.939 11.151 7.177 1.00 0.00 O ATOM 1176 CB SER A 75 -4.975 8.791 8.909 1.00 0.00 C ATOM 1177 OG SER A 75 -3.957 7.874 9.296 1.00 0.00 O ATOM 0 H SER A 75 -4.747 6.925 7.400 1.00 0.00 H new ATOM 0 HA SER A 75 -5.878 9.477 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.820 9.747 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.948 8.418 9.228 1.00 0.00 H new ATOM 0 HG SER A 75 -3.974 7.758 10.269 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.674 9.407 6.555 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.506 10.198 6.131 1.00 0.00 C ATOM 1185 C GLU A 76 -1.643 10.710 4.681 1.00 0.00 C ATOM 1186 O GLU A 76 -0.933 11.634 4.276 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.208 9.378 6.286 1.00 0.00 C ATOM 1188 CG GLU A 76 0.060 8.894 7.723 1.00 0.00 C ATOM 1189 CD GLU A 76 1.288 7.966 7.809 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.346 8.264 7.203 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.213 6.915 8.492 1.00 0.00 O ATOM 0 H GLU A 76 -2.538 8.402 6.450 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.458 11.070 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.256 8.512 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.635 9.985 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.213 9.756 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.818 8.367 8.096 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.564 10.129 3.902 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.887 10.528 2.529 1.00 0.00 C ATOM 1200 C LEU A 77 -3.786 11.778 2.473 1.00 0.00 C ATOM 1201 O LEU A 77 -4.555 12.053 3.400 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.592 9.369 1.802 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.837 8.035 1.706 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.702 7.061 0.903 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.479 8.167 1.023 1.00 0.00 C ATOM 0 H LEU A 77 -3.124 9.340 4.224 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.945 10.773 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.542 9.184 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.826 9.698 0.789 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.651 7.680 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.189 6.103 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.656 6.918 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.878 7.467 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.994 7.191 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.617 8.543 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.855 8.861 1.586 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.756 12.488 1.339 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.763 13.497 0.965 1.00 0.00 C ATOM 1219 C ARG A 78 -5.996 12.869 0.318 1.00 0.00 C ATOM 1220 O ARG A 78 -5.977 11.717 -0.120 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.135 14.582 0.063 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.236 15.560 0.834 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.044 16.409 1.827 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.204 17.449 2.454 1.00 0.00 N ATOM 1225 CZ ARG A 78 -3.577 18.322 3.374 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.793 18.361 3.844 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -2.723 19.184 3.848 1.00 0.00 N ATOM 0 H ARG A 78 -3.020 12.378 0.641 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.107 13.975 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.550 14.101 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.930 15.141 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.468 15.003 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.721 16.214 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.881 16.878 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.466 15.766 2.599 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.233 17.499 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.493 17.703 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.044 19.049 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.761 19.188 3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.016 19.855 4.558 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.070 13.657 0.247 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.398 13.220 -0.195 1.00 0.00 C ATOM 1243 C TRP A 79 -8.393 12.542 -1.581 1.00 0.00 C ATOM 1244 O TRP A 79 -9.110 11.563 -1.788 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.380 14.407 -0.119 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.339 14.551 -1.262 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.568 13.994 -1.360 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.127 15.270 -2.513 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.127 14.322 -2.583 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.280 15.107 -3.337 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.057 16.026 -3.036 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.371 15.677 -4.616 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.134 16.597 -4.321 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.288 16.427 -5.110 1.00 0.00 C ATOM 0 H TRP A 79 -7.041 14.644 0.502 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.737 12.439 0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.956 14.315 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.800 15.326 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.040 13.387 -0.601 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.052 14.020 -2.889 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.166 16.169 -2.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.261 15.542 -5.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.302 17.169 -4.704 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.342 16.872 -6.093 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.550 13.002 -2.512 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.487 12.456 -3.874 1.00 0.00 C ATOM 1267 C ASP A 80 -6.847 11.056 -3.950 1.00 0.00 C ATOM 1268 O ASP A 80 -7.210 10.251 -4.805 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.778 13.441 -4.810 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.935 13.024 -6.283 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.083 12.756 -6.717 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.915 12.987 -7.014 1.00 0.00 O ATOM 0 H ASP A 80 -6.892 13.763 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.518 12.325 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.188 14.441 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.719 13.491 -4.555 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.919 10.735 -3.045 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.328 9.405 -2.928 1.00 0.00 C ATOM 1279 C ASP A 81 -6.205 8.503 -2.058 1.00 0.00 C ATOM 1280 O ASP A 81 -6.361 7.332 -2.387 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.890 9.497 -2.406 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.957 10.112 -3.458 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.729 9.461 -4.506 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.445 11.231 -3.224 1.00 0.00 O ATOM 0 H ASP A 81 -5.554 11.402 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.280 8.950 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.867 10.100 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.534 8.503 -2.137 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.874 9.042 -1.032 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.905 8.328 -0.272 1.00 0.00 C ATOM 1291 C GLN A 82 -9.037 7.821 -1.174 1.00 0.00 C ATOM 1292 O GLN A 82 -9.329 6.624 -1.174 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.480 9.244 0.819 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.532 9.359 2.014 1.00 0.00 C ATOM 1295 CD GLN A 82 -8.049 10.288 3.114 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.983 11.064 2.952 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.447 10.258 4.281 1.00 0.00 N ATOM 0 H GLN A 82 -6.713 9.994 -0.704 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.432 7.459 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.664 10.235 0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.442 8.854 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.368 8.367 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.565 9.722 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.667 9.619 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.759 10.874 5.032 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.633 8.688 -2.000 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.726 8.286 -2.894 1.00 0.00 C ATOM 1308 C GLN A 83 -10.271 7.300 -3.981 1.00 0.00 C ATOM 1309 O GLN A 83 -11.066 6.469 -4.412 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.458 9.514 -3.467 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.680 10.306 -4.535 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.391 11.590 -4.976 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.547 11.852 -4.661 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.752 12.448 -5.744 1.00 0.00 N ATOM 0 H GLN A 83 -9.377 9.673 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.449 7.736 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.403 9.184 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.702 10.187 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.695 10.561 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.522 9.669 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.789 12.262 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.220 13.299 -6.057 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.991 7.325 -4.385 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.392 6.437 -5.377 1.00 0.00 C ATOM 1325 C LYS A 84 -8.014 5.099 -4.749 1.00 0.00 C ATOM 1326 O LYS A 84 -8.221 4.076 -5.387 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.212 7.204 -5.998 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.348 6.435 -7.004 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.179 5.688 -6.343 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.170 6.545 -5.560 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.546 7.614 -6.381 1.00 0.00 N ATOM 0 H LYS A 84 -8.322 7.996 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.090 6.172 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.605 8.091 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.568 7.550 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.973 5.720 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.955 7.132 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.592 4.942 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.637 5.148 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.674 6.999 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.388 5.899 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.996 8.248 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.916 7.185 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.289 8.159 -6.864 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.536 5.063 -3.501 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.302 3.798 -2.765 1.00 0.00 C ATOM 1347 C VAL A 85 -8.635 3.102 -2.479 1.00 0.00 C ATOM 1348 O VAL A 85 -8.760 1.905 -2.739 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.489 4.032 -1.470 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.413 2.797 -0.554 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.038 4.424 -1.778 1.00 0.00 C ATOM 0 H VAL A 85 -7.299 5.900 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.701 3.141 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.027 4.832 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.827 3.038 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.419 2.503 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.938 1.975 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.497 4.580 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.558 3.627 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.026 5.344 -2.363 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.669 3.847 -2.056 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.038 3.320 -1.914 1.00 0.00 C ATOM 1363 C LYS A 86 -11.596 2.820 -3.253 1.00 0.00 C ATOM 1364 O LYS A 86 -12.063 1.684 -3.327 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.961 4.368 -1.267 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.649 4.544 0.230 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.708 5.397 0.943 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.535 5.258 2.460 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.237 6.330 3.214 1.00 0.00 N ATOM 0 H LYS A 86 -9.581 4.831 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.996 2.457 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.845 5.323 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.001 4.065 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.592 3.565 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.671 5.011 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.608 6.442 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.708 5.077 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.914 4.287 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.473 5.282 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.879 6.359 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.065 7.247 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.258 6.134 3.226 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.460 3.602 -4.332 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.872 3.207 -5.696 1.00 0.00 C ATOM 1385 C LYS A 87 -11.148 1.945 -6.160 1.00 0.00 C ATOM 1386 O LYS A 87 -11.785 1.029 -6.669 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.619 4.375 -6.670 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.000 4.112 -8.137 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.514 3.971 -8.316 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.859 3.782 -9.798 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.327 3.667 -10.008 1.00 0.00 N ATOM 0 H LYS A 87 -11.057 4.538 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.937 2.977 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.175 5.244 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.561 4.636 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.635 4.929 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.507 3.203 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.878 3.120 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.017 4.857 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.474 4.625 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.366 2.886 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.524 3.540 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.690 2.848 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.795 4.532 -9.670 1.00 0.00 H new ATOM 1405 N THR A 88 -9.839 1.862 -5.942 1.00 0.00 N ATOM 1406 CA THR A 88 -9.009 0.724 -6.351 1.00 0.00 C ATOM 1407 C THR A 88 -9.326 -0.547 -5.557 1.00 0.00 C ATOM 1408 O THR A 88 -9.297 -1.639 -6.125 1.00 0.00 O ATOM 1409 CB THR A 88 -7.515 1.072 -6.294 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.257 2.228 -7.059 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.687 -0.012 -6.959 1.00 0.00 C ATOM 0 H THR A 88 -9.312 2.595 -5.468 1.00 0.00 H new ATOM 0 HA THR A 88 -9.259 0.509 -7.390 1.00 0.00 H new ATOM 0 HB THR A 88 -7.262 1.197 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.690 3.001 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.631 0.254 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.848 -0.960 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.986 -0.110 -8.002 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.733 -0.426 -4.289 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.199 -1.546 -3.478 1.00 0.00 C ATOM 1421 C ALA A 89 -11.558 -2.076 -3.968 1.00 0.00 C ATOM 1422 O ALA A 89 -11.785 -3.286 -3.963 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.258 -1.089 -2.018 1.00 0.00 C ATOM 0 H ALA A 89 -9.747 0.466 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.503 -2.380 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.605 -1.912 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.265 -0.780 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.947 -0.249 -1.927 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.435 -1.192 -4.463 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.681 -1.599 -5.128 1.00 0.00 C ATOM 1431 C GLU A 90 -13.436 -2.195 -6.529 1.00 0.00 C ATOM 1432 O GLU A 90 -14.120 -3.136 -6.940 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.667 -0.421 -5.229 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.171 0.070 -3.868 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.279 1.127 -4.045 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.963 2.321 -4.267 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.482 0.770 -3.961 1.00 0.00 O ATOM 0 H GLU A 90 -12.303 -0.182 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.117 -2.381 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.182 0.406 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.520 -0.722 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.554 -0.772 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.343 0.495 -3.300 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.450 -1.664 -7.258 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.110 -2.036 -8.632 1.00 0.00 C ATOM 1446 C ALA A 91 -11.270 -3.330 -8.746 1.00 0.00 C ATOM 1447 O ALA A 91 -11.301 -3.998 -9.782 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.375 -0.837 -9.250 1.00 0.00 C ATOM 0 H ALA A 91 -11.842 -0.932 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.029 -2.267 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.101 -1.069 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.028 0.036 -9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.474 -0.626 -8.673 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.503 -3.678 -7.706 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.535 -4.787 -7.704 1.00 0.00 C ATOM 1456 C GLY A 92 -8.257 -4.518 -8.520 1.00 0.00 C ATOM 1457 O GLY A 92 -7.485 -5.444 -8.781 1.00 0.00 O ATOM 0 H GLY A 92 -10.538 -3.183 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.254 -5.006 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.022 -5.679 -8.098 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.039 -3.271 -8.948 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.955 -2.837 -9.832 1.00 0.00 C ATOM 1463 C GLY A 93 -7.216 -1.429 -10.375 1.00 0.00 C ATOM 1464 O GLY A 93 -8.353 -1.086 -10.710 1.00 0.00 O ATOM 0 H GLY A 93 -8.645 -2.498 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.011 -2.851 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.856 -3.537 -10.661 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.178 -0.592 -10.416 1.00 0.00 N ATOM 1469 CA VAL A 94 -6.292 0.841 -10.755 1.00 0.00 C ATOM 1470 C VAL A 94 -6.435 1.067 -12.269 1.00 0.00 C ATOM 1471 O VAL A 94 -5.908 0.301 -13.080 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.146 1.646 -10.105 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.773 1.368 -10.729 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -5.409 3.156 -10.118 1.00 0.00 C ATOM 0 H VAL A 94 -5.222 -0.886 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.218 1.226 -10.329 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.123 1.297 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.016 1.967 -10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.531 0.311 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.795 1.628 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.573 3.675 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.517 3.498 -11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.324 3.371 -9.567 1.00 0.00 H new ATOM 1484 N THR A 95 -7.159 2.119 -12.661 1.00 0.00 N ATOM 1485 CA THR A 95 -7.464 2.455 -14.069 1.00 0.00 C ATOM 1486 C THR A 95 -6.323 3.132 -14.824 1.00 0.00 C ATOM 1487 O THR A 95 -6.305 3.101 -16.057 1.00 0.00 O ATOM 1488 CB THR A 95 -8.721 3.333 -14.159 1.00 0.00 C ATOM 1489 OG1 THR A 95 -8.599 4.439 -13.285 1.00 0.00 O ATOM 1490 CG2 THR A 95 -9.982 2.564 -13.762 1.00 0.00 C ATOM 0 H THR A 95 -7.562 2.781 -11.998 1.00 0.00 H new ATOM 0 HA THR A 95 -7.629 1.494 -14.555 1.00 0.00 H new ATOM 0 HB THR A 95 -8.810 3.657 -15.196 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.403 4.996 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.848 3.221 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.113 1.711 -14.428 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.885 2.211 -12.735 1.00 0.00 H new ATOM 1498 N GLY A 96 -5.359 3.715 -14.111 1.00 0.00 N ATOM 1499 CA GLY A 96 -4.160 4.301 -14.706 1.00 0.00 C ATOM 1500 C GLY A 96 -3.020 3.300 -14.947 1.00 0.00 C ATOM 1501 O GLY A 96 -3.111 2.120 -14.592 1.00 0.00 O ATOM 0 H GLY A 96 -5.390 3.794 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.429 4.763 -15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.798 5.097 -14.055 1.00 0.00 H new ATOM 1505 N LYS A 97 -1.925 3.781 -15.547 1.00 0.00 N ATOM 1506 CA LYS A 97 -0.701 2.997 -15.812 1.00 0.00 C ATOM 1507 C LYS A 97 0.101 2.719 -14.530 1.00 0.00 C ATOM 1508 O LYS A 97 -0.027 3.435 -13.533 1.00 0.00 O ATOM 1509 CB LYS A 97 0.164 3.707 -16.872 1.00 0.00 C ATOM 1510 CG LYS A 97 -0.536 3.785 -18.240 1.00 0.00 C ATOM 1511 CD LYS A 97 0.371 4.435 -19.293 1.00 0.00 C ATOM 1512 CE LYS A 97 -0.357 4.501 -20.641 1.00 0.00 C ATOM 1513 NZ LYS A 97 0.492 5.122 -21.692 1.00 0.00 N ATOM 0 H LYS A 97 -1.858 4.746 -15.871 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.006 2.026 -16.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.400 4.714 -16.529 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.110 3.177 -16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.815 2.783 -18.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.458 4.359 -18.147 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.653 5.438 -18.973 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.293 3.862 -19.395 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.643 3.496 -20.950 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.277 5.074 -20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.032 5.150 -22.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.744 6.090 -21.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.359 4.561 -21.815 1.00 0.00 H new ATOM 1527 N GLY A 98 0.945 1.684 -14.567 1.00 0.00 N ATOM 1528 CA GLY A 98 1.841 1.307 -13.463 1.00 0.00 C ATOM 1529 C GLY A 98 2.921 2.356 -13.153 1.00 0.00 C ATOM 1530 O GLY A 98 3.256 3.199 -13.991 1.00 0.00 O ATOM 0 H GLY A 98 1.028 1.072 -15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.245 1.137 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.326 0.362 -13.708 1.00 0.00 H new ATOM 1534 N GLN A 99 3.467 2.301 -11.936 1.00 0.00 N ATOM 1535 CA GLN A 99 4.475 3.249 -11.436 1.00 0.00 C ATOM 1536 C GLN A 99 5.880 3.015 -12.031 1.00 0.00 C ATOM 1537 O GLN A 99 6.193 1.936 -12.540 1.00 0.00 O ATOM 1538 CB GLN A 99 4.496 3.206 -9.899 1.00 0.00 C ATOM 1539 CG GLN A 99 3.211 3.804 -9.303 1.00 0.00 C ATOM 1540 CD GLN A 99 3.114 3.530 -7.811 1.00 0.00 C ATOM 1541 OE1 GLN A 99 2.541 2.535 -7.395 1.00 0.00 O ATOM 1542 NE2 GLN A 99 3.687 4.356 -6.965 1.00 0.00 N ATOM 0 H GLN A 99 3.218 1.584 -11.255 1.00 0.00 H new ATOM 0 HA GLN A 99 4.186 4.246 -11.768 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.609 2.175 -9.564 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.361 3.757 -9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.192 4.879 -9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.343 3.383 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.166 5.188 -7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.653 4.165 -5.964 1.00 0.00 H new ATOM 1551 N ASP A 100 6.732 4.042 -11.953 1.00 0.00 N ATOM 1552 CA ASP A 100 8.093 4.079 -12.511 1.00 0.00 C ATOM 1553 C ASP A 100 9.095 4.760 -11.548 1.00 0.00 C ATOM 1554 O ASP A 100 8.699 5.471 -10.618 1.00 0.00 O ATOM 1555 CB ASP A 100 8.033 4.783 -13.881 1.00 0.00 C ATOM 1556 CG ASP A 100 9.367 4.767 -14.650 1.00 0.00 C ATOM 1557 OD1 ASP A 100 10.102 3.754 -14.578 1.00 0.00 O ATOM 1558 OD2 ASP A 100 9.686 5.775 -15.327 1.00 0.00 O ATOM 0 H ASP A 100 6.483 4.910 -11.479 1.00 0.00 H new ATOM 0 HA ASP A 100 8.462 3.062 -12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.267 4.304 -14.491 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.722 5.817 -13.734 1.00 0.00 H new ATOM 1563 N GLY A 101 10.394 4.549 -11.774 1.00 0.00 N ATOM 1564 CA GLY A 101 11.494 5.012 -10.916 1.00 0.00 C ATOM 1565 C GLY A 101 11.880 4.017 -9.810 1.00 0.00 C ATOM 1566 O GLY A 101 11.128 3.092 -9.487 1.00 0.00 O ATOM 0 H GLY A 101 10.724 4.032 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.368 5.208 -11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.210 5.959 -10.457 1.00 0.00 H new ATOM 1570 N ILE A 102 13.076 4.201 -9.240 1.00 0.00 N ATOM 1571 CA ILE A 102 13.694 3.289 -8.262 1.00 0.00 C ATOM 1572 C ILE A 102 14.321 4.047 -7.079 1.00 0.00 C ATOM 1573 O ILE A 102 14.933 5.104 -7.250 1.00 0.00 O ATOM 1574 CB ILE A 102 14.688 2.337 -8.975 1.00 0.00 C ATOM 1575 CG1 ILE A 102 15.096 1.177 -8.042 1.00 0.00 C ATOM 1576 CG2 ILE A 102 15.918 3.075 -9.540 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.923 0.076 -8.714 1.00 0.00 C ATOM 0 H ILE A 102 13.660 5.010 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 102 12.912 2.671 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 102 14.169 1.916 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.667 1.584 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.194 0.731 -7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.579 2.359 -10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.593 3.822 -10.265 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.452 3.567 -8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 102 16.163 -0.696 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.349 -0.363 -9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.845 0.503 -9.108 1.00 0.00 H new ATOM 1589 N GLY A 103 14.149 3.511 -5.869 1.00 0.00 N ATOM 1590 CA GLY A 103 14.702 4.050 -4.621 1.00 0.00 C ATOM 1591 C GLY A 103 16.184 3.731 -4.387 1.00 0.00 C ATOM 1592 O GLY A 103 16.758 2.841 -5.018 1.00 0.00 O ATOM 0 H GLY A 103 13.603 2.662 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.573 5.132 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.123 3.659 -3.784 1.00 0.00 H new ATOM 1596 N SER A 104 16.795 4.461 -3.453 1.00 0.00 N ATOM 1597 CA SER A 104 18.188 4.295 -3.009 1.00 0.00 C ATOM 1598 C SER A 104 18.335 4.481 -1.490 1.00 0.00 C ATOM 1599 O SER A 104 17.472 5.071 -0.829 1.00 0.00 O ATOM 1600 CB SER A 104 19.108 5.258 -3.775 1.00 0.00 C ATOM 1601 OG SER A 104 18.750 6.613 -3.541 1.00 0.00 O ATOM 0 H SER A 104 16.317 5.217 -2.962 1.00 0.00 H new ATOM 0 HA SER A 104 18.488 3.271 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.142 5.095 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.053 5.045 -4.842 1.00 0.00 H new ATOM 0 HG SER A 104 19.354 7.202 -4.040 1.00 0.00 H new ATOM 1607 N LYS A 105 19.435 3.960 -0.928 1.00 0.00 N ATOM 1608 CA LYS A 105 19.743 3.944 0.514 1.00 0.00 C ATOM 1609 C LYS A 105 21.158 4.483 0.775 1.00 0.00 C ATOM 1610 O LYS A 105 22.099 4.118 0.069 1.00 0.00 O ATOM 1611 CB LYS A 105 19.547 2.504 1.025 1.00 0.00 C ATOM 1612 CG LYS A 105 19.642 2.370 2.554 1.00 0.00 C ATOM 1613 CD LYS A 105 19.496 0.916 3.036 1.00 0.00 C ATOM 1614 CE LYS A 105 18.133 0.309 2.671 1.00 0.00 C ATOM 1615 NZ LYS A 105 17.981 -1.077 3.189 1.00 0.00 N ATOM 0 H LYS A 105 20.166 3.520 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 105 19.070 4.603 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 105 18.572 2.142 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.297 1.860 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.601 2.765 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.867 2.981 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.289 0.310 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.628 0.880 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 105 17.338 0.936 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 105 18.017 0.305 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 17.047 -1.448 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 18.724 -1.682 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 18.066 -1.071 4.226 1.00 0.00 H new ATOM 1629 N ALA A 106 21.298 5.340 1.790 1.00 0.00 N ATOM 1630 CA ALA A 106 22.544 6.042 2.138 1.00 0.00 C ATOM 1631 C ALA A 106 22.912 5.959 3.641 1.00 0.00 C ATOM 1632 O ALA A 106 23.786 6.688 4.116 1.00 0.00 O ATOM 1633 CB ALA A 106 22.421 7.490 1.638 1.00 0.00 C ATOM 0 H ALA A 106 20.526 5.574 2.414 1.00 0.00 H new ATOM 0 HA ALA A 106 23.378 5.544 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 106 23.331 8.038 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 106 22.275 7.491 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 106 21.569 7.970 2.119 1.00 0.00 H new ATOM 1639 N GLU A 107 22.242 5.087 4.402 1.00 0.00 N ATOM 1640 CA GLU A 107 22.410 4.912 5.853 1.00 0.00 C ATOM 1641 C GLU A 107 22.212 3.436 6.252 1.00 0.00 C ATOM 1642 O GLU A 107 21.351 2.747 5.691 1.00 0.00 O ATOM 1643 CB GLU A 107 21.413 5.839 6.572 1.00 0.00 C ATOM 1644 CG GLU A 107 21.527 5.814 8.102 1.00 0.00 C ATOM 1645 CD GLU A 107 20.594 6.862 8.739 1.00 0.00 C ATOM 1646 OE1 GLU A 107 19.354 6.738 8.578 1.00 0.00 O ATOM 1647 OE2 GLU A 107 21.087 7.810 9.396 1.00 0.00 O ATOM 0 H GLU A 107 21.540 4.458 4.011 1.00 0.00 H new ATOM 0 HA GLU A 107 23.424 5.181 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 107 21.566 6.860 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.400 5.554 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 107 21.273 4.821 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 107 22.558 6.011 8.397 1.00 0.00 H new ATOM 1654 N LYS A 108 23.010 2.951 7.214 1.00 0.00 N ATOM 1655 CA LYS A 108 23.023 1.561 7.708 1.00 0.00 C ATOM 1656 C LYS A 108 23.277 1.508 9.224 1.00 0.00 C ATOM 1657 O LYS A 108 22.477 0.860 9.935 1.00 0.00 O ATOM 1658 CB LYS A 108 24.070 0.762 6.908 1.00 0.00 C ATOM 1659 CG LYS A 108 24.052 -0.738 7.241 1.00 0.00 C ATOM 1660 CD LYS A 108 25.070 -1.501 6.381 1.00 0.00 C ATOM 1661 CE LYS A 108 25.047 -2.994 6.731 1.00 0.00 C ATOM 1662 NZ LYS A 108 26.029 -3.762 5.923 1.00 0.00 N ATOM 1663 OXT LYS A 108 24.257 2.131 9.693 1.00 0.00 O ATOM 0 H LYS A 108 23.694 3.539 7.691 1.00 0.00 H new ATOM 0 HA LYS A 108 22.045 1.105 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 108 23.886 0.896 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 108 25.062 1.164 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 108 24.280 -0.883 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 108 23.053 -1.140 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 108 24.839 -1.364 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 108 26.069 -1.097 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 108 25.267 -3.123 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 108 24.046 -3.392 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 25.985 -4.767 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 25.804 -3.659 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 26.987 -3.398 6.103 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.921 -2.570 -7.714 1.00 0.00 ZN