USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 702 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 1.03 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -1.29 (180deg=-1.54) USER MOD Single : A 17 ASN : amide:sc= -5.31! C(o=-5.3!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -1.02 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.5!) USER MOD Single : A 59 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 0.921 USER MOD Single : A 64 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.093) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -116:sc= -1.25 (180deg=-1.94!) USER MOD Single : A 82 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.41) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.213 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.942 8.777 -14.800 1.00 0.00 N ATOM 2 CA GLY A 1 -7.713 10.114 -14.279 1.00 0.00 C ATOM 3 C GLY A 1 -6.842 10.933 -15.233 1.00 0.00 C ATOM 4 O GLY A 1 -7.335 11.835 -15.910 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.535 8.242 -14.134 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.424 8.841 -15.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.031 8.290 -14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.668 10.618 -14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.230 10.050 -13.304 1.00 0.00 H new ATOM 8 N SER A 2 -5.562 10.591 -15.258 1.00 0.00 N ATOM 9 CA SER A 2 -4.619 11.285 -16.118 1.00 0.00 C ATOM 10 C SER A 2 -3.280 10.543 -16.131 1.00 0.00 C ATOM 11 O SER A 2 -2.747 10.198 -15.078 1.00 0.00 O ATOM 12 CB SER A 2 -4.419 12.732 -15.664 1.00 0.00 C ATOM 13 OG SER A 2 -4.541 13.652 -16.745 1.00 0.00 O ATOM 0 H SER A 2 -5.156 9.842 -14.696 1.00 0.00 H new ATOM 0 HA SER A 2 -5.028 11.304 -17.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.153 12.976 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.434 12.836 -15.208 1.00 0.00 H new ATOM 0 HG SER A 2 -4.409 14.565 -16.414 1.00 0.00 H new ATOM 19 N SER A 3 -2.776 10.320 -17.336 1.00 0.00 N ATOM 20 CA SER A 3 -1.510 9.625 -17.500 1.00 0.00 C ATOM 21 C SER A 3 -0.351 10.566 -17.166 1.00 0.00 C ATOM 22 O SER A 3 0.150 11.274 -18.040 1.00 0.00 O ATOM 23 CB SER A 3 -1.361 9.082 -18.922 1.00 0.00 C ATOM 24 OG SER A 3 -1.322 10.126 -19.892 1.00 0.00 O ATOM 0 H SER A 3 -3.221 10.608 -18.208 1.00 0.00 H new ATOM 0 HA SER A 3 -1.492 8.778 -16.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.448 8.490 -18.990 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.192 8.413 -19.143 1.00 0.00 H new ATOM 0 HG SER A 3 -0.788 10.872 -19.548 1.00 0.00 H new ATOM 30 N GLY A 4 0.043 10.544 -15.902 1.00 0.00 N ATOM 31 CA GLY A 4 1.134 11.387 -15.443 1.00 0.00 C ATOM 32 C GLY A 4 1.946 10.686 -14.351 1.00 0.00 C ATOM 33 O GLY A 4 2.244 9.497 -14.460 1.00 0.00 O ATOM 0 H GLY A 4 -0.374 9.955 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.784 11.636 -16.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.736 12.326 -15.059 1.00 0.00 H new ATOM 37 N SER A 5 2.280 11.452 -13.322 1.00 0.00 N ATOM 38 CA SER A 5 3.051 10.920 -12.212 1.00 0.00 C ATOM 39 C SER A 5 2.109 10.393 -11.127 1.00 0.00 C ATOM 40 O SER A 5 1.166 11.077 -10.732 1.00 0.00 O ATOM 41 CB SER A 5 3.987 11.982 -11.633 1.00 0.00 C ATOM 42 OG SER A 5 5.246 12.005 -12.299 1.00 0.00 O ATOM 0 H SER A 5 2.030 12.437 -13.234 1.00 0.00 H new ATOM 0 HA SER A 5 3.664 10.098 -12.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.517 12.962 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.142 11.789 -10.572 1.00 0.00 H new ATOM 0 HG SER A 5 5.814 12.697 -11.901 1.00 0.00 H new ATOM 48 N SER A 6 2.399 9.181 -10.675 1.00 0.00 N ATOM 49 CA SER A 6 1.590 8.554 -9.643 1.00 0.00 C ATOM 50 C SER A 6 2.493 7.926 -8.581 1.00 0.00 C ATOM 51 O SER A 6 2.787 6.733 -8.638 1.00 0.00 O ATOM 52 CB SER A 6 0.658 7.498 -10.240 1.00 0.00 C ATOM 53 OG SER A 6 -0.564 7.392 -9.513 1.00 0.00 O ATOM 0 H SER A 6 3.182 8.617 -11.004 1.00 0.00 H new ATOM 0 HA SER A 6 0.973 9.322 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.442 7.751 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.162 6.531 -10.246 1.00 0.00 H new ATOM 0 HG SER A 6 -1.132 6.709 -9.926 1.00 0.00 H new ATOM 59 N GLY A 7 2.907 8.756 -7.635 1.00 0.00 N ATOM 60 CA GLY A 7 3.770 8.297 -6.561 1.00 0.00 C ATOM 61 C GLY A 7 2.974 7.517 -5.512 1.00 0.00 C ATOM 62 O GLY A 7 3.360 6.414 -5.128 1.00 0.00 O ATOM 0 H GLY A 7 2.660 9.745 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.558 7.664 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.258 9.151 -6.091 1.00 0.00 H new ATOM 66 N LEU A 8 1.878 8.121 -5.080 1.00 0.00 N ATOM 67 CA LEU A 8 1.023 7.498 -4.084 1.00 0.00 C ATOM 68 C LEU A 8 0.892 6.004 -4.392 1.00 0.00 C ATOM 69 O LEU A 8 1.055 5.167 -3.505 1.00 0.00 O ATOM 70 CB LEU A 8 -0.320 8.226 -3.997 1.00 0.00 C ATOM 71 CG LEU A 8 -0.272 9.656 -3.453 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.510 10.446 -3.882 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.089 9.659 -1.934 1.00 0.00 C ATOM 0 H LEU A 8 1.562 9.036 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 8 1.470 7.583 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.762 8.252 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.989 7.640 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 8 0.596 10.157 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.452 11.459 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.556 10.487 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.405 9.956 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.058 10.687 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.922 9.135 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.844 9.157 -1.679 1.00 0.00 H new ATOM 85 N ARG A 9 0.601 5.716 -5.652 1.00 0.00 N ATOM 86 CA ARG A 9 0.447 4.339 -6.088 1.00 0.00 C ATOM 87 C ARG A 9 1.589 3.479 -5.543 1.00 0.00 C ATOM 88 O ARG A 9 1.350 2.486 -4.858 1.00 0.00 O ATOM 89 CB ARG A 9 0.430 4.244 -7.615 1.00 0.00 C ATOM 90 CG ARG A 9 -0.240 2.948 -8.076 1.00 0.00 C ATOM 91 CD ARG A 9 0.301 2.504 -9.437 1.00 0.00 C ATOM 92 NE ARG A 9 0.043 3.552 -10.451 1.00 0.00 N ATOM 93 CZ ARG A 9 0.712 3.660 -11.606 1.00 0.00 C ATOM 94 NH1 ARG A 9 1.684 2.786 -11.902 1.00 0.00 N ATOM 95 NH2 ARG A 9 0.410 4.642 -12.466 1.00 0.00 N ATOM 0 H ARG A 9 0.468 6.413 -6.385 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.504 3.973 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.102 5.100 -8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.450 4.286 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.068 2.164 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.318 3.095 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.371 2.310 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.173 1.570 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.690 4.234 -10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.914 2.038 -11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.193 2.868 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.330 5.307 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.920 4.724 -13.346 1.00 0.00 H new ATOM 109 N GLU A 10 2.805 3.891 -5.868 1.00 0.00 N ATOM 110 CA GLU A 10 3.985 3.171 -5.419 1.00 0.00 C ATOM 111 C GLU A 10 3.977 3.036 -3.895 1.00 0.00 C ATOM 112 O GLU A 10 4.385 2.009 -3.357 1.00 0.00 O ATOM 113 CB GLU A 10 5.263 3.858 -5.902 1.00 0.00 C ATOM 114 CG GLU A 10 5.768 3.227 -7.201 1.00 0.00 C ATOM 115 CD GLU A 10 7.051 2.430 -6.962 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.969 3.005 -6.338 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.086 1.263 -7.409 1.00 0.00 O ATOM 0 H GLU A 10 2.999 4.715 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 10 3.963 2.171 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.072 4.920 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.033 3.783 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.001 2.572 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.953 4.007 -7.940 1.00 0.00 H new ATOM 124 N GLN A 11 3.506 4.089 -3.242 1.00 0.00 N ATOM 125 CA GLN A 11 3.439 4.101 -1.791 1.00 0.00 C ATOM 126 C GLN A 11 2.357 3.137 -1.302 1.00 0.00 C ATOM 127 O GLN A 11 2.405 2.670 -0.165 1.00 0.00 O ATOM 128 CB GLN A 11 3.191 5.516 -1.265 1.00 0.00 C ATOM 129 CG GLN A 11 4.211 6.501 -1.841 1.00 0.00 C ATOM 130 CD GLN A 11 4.347 7.735 -0.946 1.00 0.00 C ATOM 131 OE1 GLN A 11 5.200 7.811 -0.077 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.462 8.693 -1.206 1.00 0.00 N ATOM 0 H GLN A 11 3.167 4.940 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 11 4.400 3.767 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.183 5.835 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.251 5.519 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.179 6.011 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.904 6.805 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.774 8.564 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.471 9.556 -0.663 1.00 0.00 H new ATOM 141 N VAL A 12 1.407 2.867 -2.185 1.00 0.00 N ATOM 142 CA VAL A 12 0.314 1.967 -1.856 1.00 0.00 C ATOM 143 C VAL A 12 0.737 0.528 -2.158 1.00 0.00 C ATOM 144 O VAL A 12 0.490 -0.376 -1.360 1.00 0.00 O ATOM 145 CB VAL A 12 -0.953 2.387 -2.605 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.016 1.288 -2.544 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.498 3.708 -2.061 1.00 0.00 C ATOM 0 H VAL A 12 1.371 3.255 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 12 0.080 2.022 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.689 2.539 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.906 1.612 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.626 0.379 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.275 1.089 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.398 3.984 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.738 3.595 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.747 4.488 -2.181 1.00 0.00 H new ATOM 157 N LYS A 13 1.367 0.358 -3.311 1.00 0.00 N ATOM 158 CA LYS A 13 1.826 -0.955 -3.727 1.00 0.00 C ATOM 159 C LYS A 13 2.687 -1.564 -2.618 1.00 0.00 C ATOM 160 O LYS A 13 2.461 -2.700 -2.204 1.00 0.00 O ATOM 161 CB LYS A 13 2.536 -0.872 -5.080 1.00 0.00 C ATOM 162 CG LYS A 13 1.531 -0.954 -6.231 1.00 0.00 C ATOM 163 CD LYS A 13 1.788 0.145 -7.264 1.00 0.00 C ATOM 164 CE LYS A 13 2.759 -0.334 -8.344 1.00 0.00 C ATOM 165 NZ LYS A 13 3.728 -1.300 -7.780 1.00 0.00 N ATOM 0 H LYS A 13 1.570 1.109 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 13 0.979 -1.624 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.094 0.062 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.260 -1.683 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.600 -1.931 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.518 -0.861 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.846 0.444 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.195 1.026 -6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.205 -0.800 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.291 0.518 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.479 -1.485 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.148 -0.905 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.239 -2.190 -7.553 1.00 0.00 H new ATOM 179 N GLU A 14 3.658 -0.782 -2.169 1.00 0.00 N ATOM 180 CA GLU A 14 4.554 -1.230 -1.117 1.00 0.00 C ATOM 181 C GLU A 14 3.778 -1.448 0.183 1.00 0.00 C ATOM 182 O GLU A 14 4.114 -2.331 0.971 1.00 0.00 O ATOM 183 CB GLU A 14 5.700 -0.237 -0.912 1.00 0.00 C ATOM 184 CG GLU A 14 6.895 -0.589 -1.800 1.00 0.00 C ATOM 185 CD GLU A 14 8.142 -0.866 -0.957 1.00 0.00 C ATOM 186 OE1 GLU A 14 7.990 -1.569 0.066 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.218 -0.368 -1.354 1.00 0.00 O ATOM 0 H GLU A 14 3.844 0.159 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 14 4.992 -2.181 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.357 0.772 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.006 -0.240 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.658 -1.465 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.093 0.231 -2.491 1.00 0.00 H new ATOM 194 N LEU A 15 2.755 -0.627 0.369 1.00 0.00 N ATOM 195 CA LEU A 15 1.929 -0.719 1.561 1.00 0.00 C ATOM 196 C LEU A 15 1.334 -2.126 1.657 1.00 0.00 C ATOM 197 O LEU A 15 1.653 -2.876 2.578 1.00 0.00 O ATOM 198 CB LEU A 15 0.878 0.393 1.571 1.00 0.00 C ATOM 199 CG LEU A 15 -0.456 0.051 2.238 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.317 0.027 3.762 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.559 1.005 1.779 1.00 0.00 C ATOM 0 H LEU A 15 2.479 0.105 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 15 2.533 -0.565 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.302 1.261 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.681 0.688 0.540 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.747 -0.952 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.279 -0.218 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.419 -0.724 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.008 1.006 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.496 0.740 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.289 2.027 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.679 0.929 0.698 1.00 0.00 H new ATOM 213 N PHE A 16 0.481 -2.441 0.694 1.00 0.00 N ATOM 214 CA PHE A 16 -0.161 -3.745 0.658 1.00 0.00 C ATOM 215 C PHE A 16 0.876 -4.868 0.733 1.00 0.00 C ATOM 216 O PHE A 16 0.655 -5.877 1.399 1.00 0.00 O ATOM 217 CB PHE A 16 -0.905 -3.841 -0.674 1.00 0.00 C ATOM 218 CG PHE A 16 -2.281 -3.173 -0.669 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.199 -3.516 0.274 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.587 -2.237 -1.607 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.476 -2.896 0.280 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.864 -1.617 -1.601 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.783 -1.960 -0.658 1.00 0.00 C ATOM 0 H PHE A 16 0.219 -1.816 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.835 -3.852 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.294 -3.385 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.024 -4.892 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.956 -4.260 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.858 -1.965 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.204 -3.168 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.106 -0.873 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.755 -1.490 -0.654 1.00 0.00 H new ATOM 233 N ASN A 17 1.985 -4.654 0.040 1.00 0.00 N ATOM 234 CA ASN A 17 3.055 -5.635 0.019 1.00 0.00 C ATOM 235 C ASN A 17 3.688 -5.724 1.409 1.00 0.00 C ATOM 236 O ASN A 17 4.031 -6.811 1.872 1.00 0.00 O ATOM 237 CB ASN A 17 4.149 -5.236 -0.973 1.00 0.00 C ATOM 238 CG ASN A 17 3.607 -5.199 -2.403 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.418 -5.058 -2.640 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.540 -5.334 -3.340 1.00 0.00 N ATOM 0 H ASN A 17 2.165 -3.815 -0.511 1.00 0.00 H new ATOM 0 HA ASN A 17 2.628 -6.592 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.547 -4.257 -0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.976 -5.944 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.278 -5.323 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.518 -5.448 -3.073 1.00 0.00 H new ATOM 247 N GLU A 18 3.822 -4.565 2.037 1.00 0.00 N ATOM 248 CA GLU A 18 4.407 -4.498 3.366 1.00 0.00 C ATOM 249 C GLU A 18 3.554 -5.285 4.363 1.00 0.00 C ATOM 250 O GLU A 18 4.076 -6.074 5.148 1.00 0.00 O ATOM 251 CB GLU A 18 4.578 -3.046 3.817 1.00 0.00 C ATOM 252 CG GLU A 18 5.705 -2.360 3.042 1.00 0.00 C ATOM 253 CD GLU A 18 6.985 -2.295 3.877 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.464 -3.381 4.268 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.456 -1.159 4.106 1.00 0.00 O ATOM 0 H GLU A 18 3.536 -3.665 1.651 1.00 0.00 H new ATOM 0 HA GLU A 18 5.397 -4.952 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.645 -2.503 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.796 -3.016 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.898 -2.903 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.398 -1.352 2.762 1.00 0.00 H new ATOM 262 N LYS A 19 2.252 -5.042 4.299 1.00 0.00 N ATOM 263 CA LYS A 19 1.321 -5.718 5.185 1.00 0.00 C ATOM 264 C LYS A 19 1.492 -7.231 5.041 1.00 0.00 C ATOM 265 O LYS A 19 1.792 -7.922 6.014 1.00 0.00 O ATOM 266 CB LYS A 19 -0.109 -5.234 4.931 1.00 0.00 C ATOM 267 CG LYS A 19 -0.249 -3.745 5.255 1.00 0.00 C ATOM 268 CD LYS A 19 -0.275 -3.514 6.767 1.00 0.00 C ATOM 269 CE LYS A 19 0.012 -2.048 7.102 1.00 0.00 C ATOM 270 NZ LYS A 19 0.522 -1.923 8.487 1.00 0.00 N ATOM 0 H LYS A 19 1.821 -4.386 3.647 1.00 0.00 H new ATOM 0 HA LYS A 19 1.537 -5.470 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.377 -5.410 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.805 -5.810 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.581 -3.193 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.164 -3.356 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.249 -3.798 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.465 -4.153 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.743 -1.645 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.897 -1.458 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.712 -0.922 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.188 -2.289 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.401 -2.470 8.584 1.00 0.00 H new ATOM 284 N TYR A 20 1.293 -7.703 3.819 1.00 0.00 N ATOM 285 CA TYR A 20 1.423 -9.122 3.535 1.00 0.00 C ATOM 286 C TYR A 20 2.675 -9.702 4.195 1.00 0.00 C ATOM 287 O TYR A 20 2.604 -10.723 4.879 1.00 0.00 O ATOM 288 CB TYR A 20 1.563 -9.237 2.015 1.00 0.00 C ATOM 289 CG TYR A 20 1.094 -10.577 1.446 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.138 -11.086 1.805 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.902 -11.277 0.574 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.579 -12.348 1.270 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.461 -12.539 0.038 1.00 0.00 C ATOM 294 CZ TYR A 20 0.242 -13.012 0.412 1.00 0.00 C ATOM 295 OH TYR A 20 -0.175 -14.204 -0.093 1.00 0.00 O ATOM 0 H TYR A 20 1.043 -7.128 3.015 1.00 0.00 H new ATOM 0 HA TYR A 20 0.562 -9.670 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.992 -8.435 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.608 -9.085 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.771 -10.538 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.866 -10.878 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.540 -12.758 1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.084 -13.097 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 20 0.512 -14.564 -0.692 1.00 0.00 H new ATOM 305 N GLY A 21 3.791 -9.026 3.967 1.00 0.00 N ATOM 306 CA GLY A 21 5.057 -9.462 4.532 1.00 0.00 C ATOM 307 C GLY A 21 4.926 -9.728 6.034 1.00 0.00 C ATOM 308 O GLY A 21 5.244 -10.818 6.505 1.00 0.00 O ATOM 0 H GLY A 21 3.845 -8.180 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.392 -10.368 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.818 -8.701 4.359 1.00 0.00 H new ATOM 312 N GLU A 22 4.457 -8.711 6.743 1.00 0.00 N ATOM 313 CA GLU A 22 4.280 -8.821 8.181 1.00 0.00 C ATOM 314 C GLU A 22 3.275 -9.927 8.508 1.00 0.00 C ATOM 315 O GLU A 22 3.472 -10.689 9.454 1.00 0.00 O ATOM 316 CB GLU A 22 3.840 -7.485 8.783 1.00 0.00 C ATOM 317 CG GLU A 22 4.707 -6.337 8.262 1.00 0.00 C ATOM 318 CD GLU A 22 4.907 -5.268 9.338 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.820 -5.463 10.170 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.142 -4.280 9.305 1.00 0.00 O ATOM 0 H GLU A 22 4.194 -7.808 6.348 1.00 0.00 H new ATOM 0 HA GLU A 22 5.239 -9.084 8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.795 -7.297 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.907 -7.532 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.675 -6.723 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.238 -5.892 7.385 1.00 0.00 H new ATOM 327 N ALA A 23 2.219 -9.980 7.710 1.00 0.00 N ATOM 328 CA ALA A 23 1.183 -10.979 7.904 1.00 0.00 C ATOM 329 C ALA A 23 1.798 -12.375 7.781 1.00 0.00 C ATOM 330 O ALA A 23 1.429 -13.287 8.519 1.00 0.00 O ATOM 331 CB ALA A 23 0.056 -10.749 6.896 1.00 0.00 C ATOM 0 H ALA A 23 2.059 -9.346 6.927 1.00 0.00 H new ATOM 0 HA ALA A 23 0.751 -10.895 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.721 -11.499 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.367 -9.755 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.452 -10.829 5.883 1.00 0.00 H new ATOM 337 N LEU A 24 2.726 -12.497 6.842 1.00 0.00 N ATOM 338 CA LEU A 24 3.396 -13.766 6.614 1.00 0.00 C ATOM 339 C LEU A 24 4.332 -14.063 7.787 1.00 0.00 C ATOM 340 O LEU A 24 4.893 -15.154 7.878 1.00 0.00 O ATOM 341 CB LEU A 24 4.096 -13.765 5.253 1.00 0.00 C ATOM 342 CG LEU A 24 3.216 -14.097 4.046 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.860 -13.610 2.747 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.891 -15.592 3.998 1.00 0.00 C ATOM 0 H LEU A 24 3.029 -11.738 6.231 1.00 0.00 H new ATOM 0 HA LEU A 24 2.670 -14.578 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.539 -12.782 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.916 -14.482 5.288 1.00 0.00 H new ATOM 0 HG LEU A 24 2.271 -13.565 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.214 -13.859 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.998 -12.530 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.828 -14.094 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.265 -15.800 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.816 -16.163 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.360 -15.878 4.906 1.00 0.00 H new ATOM 356 N GLY A 25 4.473 -13.072 8.656 1.00 0.00 N ATOM 357 CA GLY A 25 5.332 -13.213 9.818 1.00 0.00 C ATOM 358 C GLY A 25 6.801 -13.009 9.443 1.00 0.00 C ATOM 359 O GLY A 25 7.697 -13.383 10.200 1.00 0.00 O ATOM 0 H GLY A 25 4.006 -12.168 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.043 -12.487 10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.199 -14.203 10.255 1.00 0.00 H new ATOM 363 N LEU A 26 7.004 -12.416 8.276 1.00 0.00 N ATOM 364 CA LEU A 26 8.349 -12.158 7.791 1.00 0.00 C ATOM 365 C LEU A 26 8.819 -10.797 8.309 1.00 0.00 C ATOM 366 O LEU A 26 8.189 -10.211 9.188 1.00 0.00 O ATOM 367 CB LEU A 26 8.403 -12.288 6.268 1.00 0.00 C ATOM 368 CG LEU A 26 7.584 -13.430 5.663 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.711 -13.447 4.138 1.00 0.00 C ATOM 370 CD2 LEU A 26 7.971 -14.773 6.285 1.00 0.00 C ATOM 0 H LEU A 26 6.259 -12.107 7.652 1.00 0.00 H new ATOM 0 HA LEU A 26 9.044 -12.904 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.060 -11.350 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.444 -12.417 5.971 1.00 0.00 H new ATOM 0 HG LEU A 26 6.534 -13.258 5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.120 -14.268 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.347 -12.503 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.757 -13.582 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.374 -15.567 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.028 -14.967 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.787 -14.743 7.359 1.00 0.00 H new ATOM 382 N ASN A 27 9.925 -10.334 7.743 1.00 0.00 N ATOM 383 CA ASN A 27 10.488 -9.054 8.136 1.00 0.00 C ATOM 384 C ASN A 27 10.758 -8.215 6.886 1.00 0.00 C ATOM 385 O ASN A 27 11.574 -7.295 6.916 1.00 0.00 O ATOM 386 CB ASN A 27 11.814 -9.240 8.878 1.00 0.00 C ATOM 387 CG ASN A 27 11.789 -8.530 10.232 1.00 0.00 C ATOM 388 OD1 ASN A 27 12.243 -7.406 10.381 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.236 -9.244 11.208 1.00 0.00 N ATOM 0 H ASN A 27 10.446 -10.823 7.015 1.00 0.00 H new ATOM 0 HA ASN A 27 9.774 -8.559 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.007 -10.303 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.631 -8.848 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.172 -8.857 12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.876 -10.178 11.015 1.00 0.00 H new ATOM 396 N ARG A 28 10.057 -8.562 5.817 1.00 0.00 N ATOM 397 CA ARG A 28 10.212 -7.851 4.558 1.00 0.00 C ATOM 398 C ARG A 28 8.881 -7.816 3.803 1.00 0.00 C ATOM 399 O ARG A 28 8.010 -8.652 4.034 1.00 0.00 O ATOM 400 CB ARG A 28 11.272 -8.515 3.678 1.00 0.00 C ATOM 401 CG ARG A 28 11.120 -10.036 3.687 1.00 0.00 C ATOM 402 CD ARG A 28 12.282 -10.709 2.953 1.00 0.00 C ATOM 403 NE ARG A 28 12.615 -11.996 3.604 1.00 0.00 N ATOM 404 CZ ARG A 28 11.901 -13.119 3.457 1.00 0.00 C ATOM 405 NH1 ARG A 28 10.808 -13.121 2.679 1.00 0.00 N ATOM 406 NH2 ARG A 28 12.277 -14.241 4.086 1.00 0.00 N ATOM 0 H ARG A 28 9.381 -9.325 5.796 1.00 0.00 H new ATOM 0 HA ARG A 28 10.532 -6.834 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.186 -8.144 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.266 -8.244 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.079 -10.395 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.178 -10.313 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.015 -10.878 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.153 -10.054 2.957 1.00 0.00 H new ATOM 0 HE ARG A 28 13.440 -12.029 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.521 -12.267 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.264 -13.976 2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.108 -14.240 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.732 -15.096 3.973 1.00 0.00 H new ATOM 420 N PRO A 29 8.766 -6.814 2.891 1.00 0.00 N ATOM 421 CA PRO A 29 7.557 -6.659 2.099 1.00 0.00 C ATOM 422 C PRO A 29 7.484 -7.718 0.996 1.00 0.00 C ATOM 423 O PRO A 29 8.502 -8.081 0.411 1.00 0.00 O ATOM 424 CB PRO A 29 7.621 -5.240 1.556 1.00 0.00 C ATOM 425 CG PRO A 29 9.076 -4.813 1.678 1.00 0.00 C ATOM 426 CD PRO A 29 9.779 -5.806 2.589 1.00 0.00 C ATOM 0 HA PRO A 29 6.649 -6.807 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.289 -5.203 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.970 -4.575 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.551 -4.792 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.145 -3.805 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.645 -6.250 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.140 -5.323 3.497 1.00 0.00 H new ATOM 434 N VAL A 30 6.268 -8.183 0.748 1.00 0.00 N ATOM 435 CA VAL A 30 6.048 -9.192 -0.274 1.00 0.00 C ATOM 436 C VAL A 30 4.796 -8.835 -1.077 1.00 0.00 C ATOM 437 O VAL A 30 3.806 -8.369 -0.514 1.00 0.00 O ATOM 438 CB VAL A 30 5.971 -10.578 0.369 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.558 -11.636 -0.658 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.298 -10.948 1.033 1.00 0.00 C ATOM 0 H VAL A 30 5.426 -7.880 1.237 1.00 0.00 H new ATOM 0 HA VAL A 30 6.885 -9.218 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 30 5.206 -10.546 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.511 -12.612 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.579 -11.385 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.290 -11.665 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.216 -11.938 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.090 -10.954 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.534 -10.217 1.806 1.00 0.00 H new ATOM 450 N LEU A 31 4.879 -9.067 -2.378 1.00 0.00 N ATOM 451 CA LEU A 31 3.765 -8.776 -3.265 1.00 0.00 C ATOM 452 C LEU A 31 2.524 -9.527 -2.778 1.00 0.00 C ATOM 453 O LEU A 31 2.635 -10.516 -2.056 1.00 0.00 O ATOM 454 CB LEU A 31 4.140 -9.082 -4.716 1.00 0.00 C ATOM 455 CG LEU A 31 4.848 -7.960 -5.477 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.701 -8.522 -6.615 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.845 -6.915 -5.973 1.00 0.00 C ATOM 0 H LEU A 31 5.702 -9.454 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 31 3.526 -7.713 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.782 -9.963 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.231 -9.344 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 31 5.525 -7.455 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.193 -7.703 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.454 -9.196 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.065 -9.068 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.375 -6.129 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.125 -7.389 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.320 -6.482 -5.122 1.00 0.00 H new ATOM 469 N VAL A 32 1.369 -9.026 -3.193 1.00 0.00 N ATOM 470 CA VAL A 32 0.108 -9.637 -2.809 1.00 0.00 C ATOM 471 C VAL A 32 -0.521 -10.309 -4.031 1.00 0.00 C ATOM 472 O VAL A 32 -0.825 -9.647 -5.021 1.00 0.00 O ATOM 473 CB VAL A 32 -0.806 -8.591 -2.166 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.212 -9.152 -1.947 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.210 -8.075 -0.855 1.00 0.00 C ATOM 0 H VAL A 32 1.281 -8.204 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 32 0.272 -10.412 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.886 -7.748 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.841 -8.389 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.639 -9.447 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.159 -10.020 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.879 -7.333 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.086 -8.905 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.760 -7.618 -1.051 1.00 0.00 H new ATOM 485 N PRO A 33 -0.703 -11.653 -3.918 1.00 0.00 N ATOM 486 CA PRO A 33 -1.289 -12.423 -5.001 1.00 0.00 C ATOM 487 C PRO A 33 -2.799 -12.192 -5.083 1.00 0.00 C ATOM 488 O PRO A 33 -3.585 -13.104 -4.833 1.00 0.00 O ATOM 489 CB PRO A 33 -0.925 -13.867 -4.699 1.00 0.00 C ATOM 490 CG PRO A 33 -0.551 -13.904 -3.226 1.00 0.00 C ATOM 491 CD PRO A 33 -0.354 -12.471 -2.760 1.00 0.00 C ATOM 0 HA PRO A 33 -0.911 -12.127 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.763 -14.532 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.094 -14.198 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.335 -14.390 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.361 -14.483 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.992 -12.241 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.675 -12.295 -2.446 1.00 0.00 H new ATOM 499 N TYR A 34 -3.160 -10.965 -5.434 1.00 0.00 N ATOM 500 CA TYR A 34 -4.562 -10.603 -5.552 1.00 0.00 C ATOM 501 C TYR A 34 -5.315 -11.600 -6.435 1.00 0.00 C ATOM 502 O TYR A 34 -6.439 -11.989 -6.120 1.00 0.00 O ATOM 503 CB TYR A 34 -4.587 -9.228 -6.221 1.00 0.00 C ATOM 504 CG TYR A 34 -3.763 -8.164 -5.491 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.288 -7.521 -4.388 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.494 -7.850 -5.934 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.513 -6.521 -3.701 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.719 -6.850 -5.245 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.267 -6.235 -4.163 1.00 0.00 C ATOM 510 OH TYR A 34 -1.535 -5.290 -3.514 1.00 0.00 O ATOM 0 H TYR A 34 -2.506 -10.210 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.041 -10.601 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.214 -9.325 -7.241 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.620 -8.888 -6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.280 -7.768 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.082 -8.353 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.913 -6.009 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.725 -6.594 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.665 -5.191 -3.954 1.00 0.00 H new ATOM 520 N LYS A 35 -4.664 -11.986 -7.523 1.00 0.00 N ATOM 521 CA LYS A 35 -5.258 -12.931 -8.454 1.00 0.00 C ATOM 522 C LYS A 35 -5.812 -14.126 -7.676 1.00 0.00 C ATOM 523 O LYS A 35 -6.933 -14.567 -7.924 1.00 0.00 O ATOM 524 CB LYS A 35 -4.251 -13.316 -9.539 1.00 0.00 C ATOM 525 CG LYS A 35 -4.268 -12.304 -10.687 1.00 0.00 C ATOM 526 CD LYS A 35 -3.216 -11.214 -10.473 1.00 0.00 C ATOM 527 CE LYS A 35 -2.272 -11.121 -11.673 1.00 0.00 C ATOM 528 NZ LYS A 35 -1.616 -9.794 -11.714 1.00 0.00 N ATOM 0 H LYS A 35 -3.732 -11.662 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.098 -12.475 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.250 -13.368 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.485 -14.309 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.079 -12.816 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.256 -11.851 -10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.708 -10.254 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.643 -11.428 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.517 -11.905 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.829 -11.287 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.979 -9.747 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.340 -9.051 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.069 -9.650 -10.842 1.00 0.00 H new ATOM 542 N LEU A 36 -5.000 -14.617 -6.752 1.00 0.00 N ATOM 543 CA LEU A 36 -5.395 -15.753 -5.936 1.00 0.00 C ATOM 544 C LEU A 36 -6.464 -15.310 -4.934 1.00 0.00 C ATOM 545 O LEU A 36 -7.604 -15.767 -4.995 1.00 0.00 O ATOM 546 CB LEU A 36 -4.170 -16.398 -5.284 1.00 0.00 C ATOM 547 CG LEU A 36 -3.225 -17.147 -6.226 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.934 -17.541 -5.507 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.923 -18.354 -6.855 1.00 0.00 C ATOM 0 H LEU A 36 -4.070 -14.249 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.842 -16.530 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.602 -15.619 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.514 -17.093 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.948 -16.476 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.280 -18.072 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.430 -16.644 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.171 -18.188 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.230 -18.869 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.248 -19.037 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.790 -18.017 -7.424 1.00 0.00 H new ATOM 561 N ILE A 37 -6.055 -14.426 -4.036 1.00 0.00 N ATOM 562 CA ILE A 37 -6.964 -13.915 -3.023 1.00 0.00 C ATOM 563 C ILE A 37 -8.323 -13.624 -3.662 1.00 0.00 C ATOM 564 O ILE A 37 -9.360 -13.766 -3.015 1.00 0.00 O ATOM 565 CB ILE A 37 -6.348 -12.708 -2.311 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.016 -13.079 -1.656 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.332 -12.103 -1.307 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.976 -11.977 -1.867 1.00 0.00 C ATOM 0 H ILE A 37 -5.108 -14.051 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.130 -14.663 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.137 -11.942 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.165 -13.244 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.649 -14.016 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.870 -11.247 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.232 -11.779 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.596 -12.852 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.039 -12.266 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.812 -11.831 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.336 -11.048 -1.425 1.00 0.00 H new ATOM 580 N ARG A 38 -8.274 -13.223 -4.924 1.00 0.00 N ATOM 581 CA ARG A 38 -9.489 -12.910 -5.657 1.00 0.00 C ATOM 582 C ARG A 38 -10.374 -14.154 -5.772 1.00 0.00 C ATOM 583 O ARG A 38 -11.534 -14.135 -5.362 1.00 0.00 O ATOM 584 CB ARG A 38 -9.168 -12.391 -7.059 1.00 0.00 C ATOM 585 CG ARG A 38 -10.442 -11.968 -7.793 1.00 0.00 C ATOM 586 CD ARG A 38 -10.648 -10.454 -7.708 1.00 0.00 C ATOM 587 NE ARG A 38 -9.830 -9.773 -8.736 1.00 0.00 N ATOM 588 CZ ARG A 38 -10.073 -9.836 -10.052 1.00 0.00 C ATOM 589 NH1 ARG A 38 -11.112 -10.549 -10.508 1.00 0.00 N ATOM 590 NH2 ARG A 38 -9.278 -9.186 -10.912 1.00 0.00 N ATOM 0 H ARG A 38 -7.412 -13.108 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.018 -12.132 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.486 -11.544 -6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.656 -13.166 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.382 -12.272 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.302 -12.480 -7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.701 -10.213 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.372 -10.096 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.031 -9.221 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.718 -11.044 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.297 -10.597 -11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.487 -8.643 -10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.463 -9.234 -11.914 1.00 0.00 H new ATOM 604 N ASP A 39 -9.792 -15.204 -6.332 1.00 0.00 N ATOM 605 CA ASP A 39 -10.513 -16.455 -6.506 1.00 0.00 C ATOM 606 C ASP A 39 -10.658 -17.148 -5.149 1.00 0.00 C ATOM 607 O ASP A 39 -11.541 -17.985 -4.967 1.00 0.00 O ATOM 608 CB ASP A 39 -9.759 -17.400 -7.442 1.00 0.00 C ATOM 609 CG ASP A 39 -10.145 -17.292 -8.918 1.00 0.00 C ATOM 610 OD1 ASP A 39 -10.535 -16.175 -9.323 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.040 -18.329 -9.610 1.00 0.00 O ATOM 0 H ASP A 39 -8.830 -15.215 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.488 -16.225 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.691 -17.206 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.928 -18.425 -7.112 1.00 0.00 H new ATOM 616 N SER A 40 -9.778 -16.773 -4.232 1.00 0.00 N ATOM 617 CA SER A 40 -9.797 -17.349 -2.898 1.00 0.00 C ATOM 618 C SER A 40 -9.829 -16.236 -1.849 1.00 0.00 C ATOM 619 O SER A 40 -8.783 -15.779 -1.390 1.00 0.00 O ATOM 620 CB SER A 40 -8.585 -18.256 -2.673 1.00 0.00 C ATOM 621 OG SER A 40 -8.534 -18.757 -1.339 1.00 0.00 O ATOM 0 H SER A 40 -9.048 -16.078 -4.386 1.00 0.00 H new ATOM 0 HA SER A 40 -10.696 -17.958 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.622 -19.091 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.672 -17.701 -2.887 1.00 0.00 H new ATOM 0 HG SER A 40 -7.847 -19.453 -1.277 1.00 0.00 H new ATOM 627 N PRO A 41 -11.074 -15.821 -1.489 1.00 0.00 N ATOM 628 CA PRO A 41 -11.257 -14.771 -0.502 1.00 0.00 C ATOM 629 C PRO A 41 -10.984 -15.292 0.910 1.00 0.00 C ATOM 630 O PRO A 41 -10.952 -14.519 1.866 1.00 0.00 O ATOM 631 CB PRO A 41 -12.687 -14.295 -0.695 1.00 0.00 C ATOM 632 CG PRO A 41 -13.396 -15.402 -1.458 1.00 0.00 C ATOM 633 CD PRO A 41 -12.335 -16.340 -2.011 1.00 0.00 C ATOM 0 HA PRO A 41 -10.557 -13.946 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.170 -14.111 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.715 -13.358 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.078 -15.942 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.996 -14.985 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.506 -17.366 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.340 -16.345 -3.101 1.00 0.00 H new ATOM 641 N ASP A 42 -10.795 -16.601 0.997 1.00 0.00 N ATOM 642 CA ASP A 42 -10.527 -17.235 2.277 1.00 0.00 C ATOM 643 C ASP A 42 -9.052 -17.633 2.345 1.00 0.00 C ATOM 644 O ASP A 42 -8.702 -18.629 2.976 1.00 0.00 O ATOM 645 CB ASP A 42 -11.367 -18.502 2.451 1.00 0.00 C ATOM 646 CG ASP A 42 -12.188 -18.561 3.741 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.176 -17.544 4.468 1.00 0.00 O ATOM 648 OD2 ASP A 42 -12.809 -19.622 3.970 1.00 0.00 O ATOM 0 H ASP A 42 -10.822 -17.240 0.202 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.779 -16.524 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.045 -18.590 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.704 -19.367 2.420 1.00 0.00 H new ATOM 653 N ALA A 43 -8.225 -16.835 1.685 1.00 0.00 N ATOM 654 CA ALA A 43 -6.795 -17.093 1.661 1.00 0.00 C ATOM 655 C ALA A 43 -6.090 -16.111 2.599 1.00 0.00 C ATOM 656 O ALA A 43 -5.286 -16.516 3.438 1.00 0.00 O ATOM 657 CB ALA A 43 -6.282 -16.996 0.223 1.00 0.00 C ATOM 0 H ALA A 43 -8.518 -16.009 1.163 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.580 -18.101 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.209 -17.190 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.794 -17.733 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.477 -15.997 -0.166 1.00 0.00 H new ATOM 663 N VAL A 44 -6.416 -14.839 2.426 1.00 0.00 N ATOM 664 CA VAL A 44 -5.823 -13.796 3.247 1.00 0.00 C ATOM 665 C VAL A 44 -6.907 -12.793 3.651 1.00 0.00 C ATOM 666 O VAL A 44 -7.772 -12.451 2.846 1.00 0.00 O ATOM 667 CB VAL A 44 -4.654 -13.146 2.504 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.260 -11.820 3.157 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.458 -14.096 2.426 1.00 0.00 C ATOM 0 H VAL A 44 -7.083 -14.506 1.730 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.413 -14.219 4.164 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.980 -12.934 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.427 -11.378 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.110 -11.138 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.962 -11.998 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.641 -13.609 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.132 -14.354 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.748 -15.003 1.896 1.00 0.00 H new ATOM 679 N GLU A 45 -6.823 -12.350 4.897 1.00 0.00 N ATOM 680 CA GLU A 45 -7.786 -11.393 5.417 1.00 0.00 C ATOM 681 C GLU A 45 -7.210 -9.978 5.360 1.00 0.00 C ATOM 682 O GLU A 45 -6.101 -9.734 5.833 1.00 0.00 O ATOM 683 CB GLU A 45 -8.205 -11.758 6.842 1.00 0.00 C ATOM 684 CG GLU A 45 -8.724 -10.530 7.592 1.00 0.00 C ATOM 685 CD GLU A 45 -9.509 -10.939 8.839 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.844 -11.297 9.836 1.00 0.00 O ATOM 687 OE2 GLU A 45 -10.756 -10.887 8.768 1.00 0.00 O ATOM 0 H GLU A 45 -6.104 -12.636 5.561 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.678 -11.426 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.979 -12.525 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.356 -12.183 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.887 -9.894 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.362 -9.940 6.934 1.00 0.00 H new ATOM 694 N VAL A 46 -7.990 -9.080 4.775 1.00 0.00 N ATOM 695 CA VAL A 46 -7.571 -7.693 4.650 1.00 0.00 C ATOM 696 C VAL A 46 -8.516 -6.805 5.463 1.00 0.00 C ATOM 697 O VAL A 46 -9.733 -6.876 5.302 1.00 0.00 O ATOM 698 CB VAL A 46 -7.503 -7.299 3.173 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.308 -5.789 3.017 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.400 -8.072 2.449 1.00 0.00 C ATOM 0 H VAL A 46 -8.909 -9.285 4.383 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.568 -7.558 5.055 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.455 -7.564 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.263 -5.535 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.144 -5.264 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.378 -5.490 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.374 -7.773 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.438 -7.854 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.601 -9.141 2.516 1.00 0.00 H new ATOM 710 N THR A 47 -7.917 -5.990 6.320 1.00 0.00 N ATOM 711 CA THR A 47 -8.689 -5.089 7.157 1.00 0.00 C ATOM 712 C THR A 47 -7.923 -3.784 7.385 1.00 0.00 C ATOM 713 O THR A 47 -6.753 -3.675 7.019 1.00 0.00 O ATOM 714 CB THR A 47 -9.031 -5.826 8.454 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.842 -6.546 8.768 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.084 -6.917 8.247 1.00 0.00 C ATOM 0 H THR A 47 -6.907 -5.936 6.452 1.00 0.00 H new ATOM 0 HA THR A 47 -9.622 -4.801 6.672 1.00 0.00 H new ATOM 0 HB THR A 47 -9.390 -5.111 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.975 -7.051 9.597 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.290 -7.409 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.001 -6.470 7.863 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.712 -7.651 7.532 1.00 0.00 H new ATOM 724 N GLY A 48 -8.612 -2.828 7.989 1.00 0.00 N ATOM 725 CA GLY A 48 -8.011 -1.535 8.270 1.00 0.00 C ATOM 726 C GLY A 48 -8.275 -0.548 7.131 1.00 0.00 C ATOM 727 O GLY A 48 -8.318 0.661 7.349 1.00 0.00 O ATOM 0 H GLY A 48 -9.581 -2.922 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.414 -1.137 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.937 -1.653 8.412 1.00 0.00 H new ATOM 731 N LEU A 49 -8.447 -1.102 5.939 1.00 0.00 N ATOM 732 CA LEU A 49 -8.706 -0.286 4.765 1.00 0.00 C ATOM 733 C LEU A 49 -9.742 0.784 5.112 1.00 0.00 C ATOM 734 O LEU A 49 -10.436 0.678 6.123 1.00 0.00 O ATOM 735 CB LEU A 49 -9.104 -1.165 3.578 1.00 0.00 C ATOM 736 CG LEU A 49 -7.953 -1.707 2.728 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.468 -2.667 1.654 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.130 -0.564 2.129 1.00 0.00 C ATOM 0 H LEU A 49 -8.412 -2.106 5.761 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.800 0.235 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.680 -2.010 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.767 -0.590 2.932 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.288 -2.278 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.629 -3.037 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.976 -3.506 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.166 -2.143 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.318 -0.976 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.770 0.054 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.715 0.045 2.932 1.00 0.00 H new ATOM 750 N PRO A 50 -9.819 1.818 4.231 1.00 0.00 N ATOM 751 CA PRO A 50 -10.760 2.907 4.434 1.00 0.00 C ATOM 752 C PRO A 50 -12.186 2.469 4.096 1.00 0.00 C ATOM 753 O PRO A 50 -12.397 1.692 3.167 1.00 0.00 O ATOM 754 CB PRO A 50 -10.258 4.031 3.544 1.00 0.00 C ATOM 755 CG PRO A 50 -9.332 3.378 2.530 1.00 0.00 C ATOM 756 CD PRO A 50 -9.015 1.976 3.023 1.00 0.00 C ATOM 0 HA PRO A 50 -10.810 3.232 5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.087 4.536 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.729 4.785 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.806 3.340 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.417 3.960 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.272 1.226 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.952 1.862 3.237 1.00 0.00 H new ATOM 764 N ASP A 51 -13.128 2.986 4.872 1.00 0.00 N ATOM 765 CA ASP A 51 -14.529 2.658 4.667 1.00 0.00 C ATOM 766 C ASP A 51 -14.947 3.080 3.257 1.00 0.00 C ATOM 767 O ASP A 51 -14.475 4.095 2.745 1.00 0.00 O ATOM 768 CB ASP A 51 -15.420 3.398 5.666 1.00 0.00 C ATOM 769 CG ASP A 51 -15.220 4.915 5.711 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.706 5.579 4.770 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.585 5.375 6.684 1.00 0.00 O ATOM 0 H ASP A 51 -12.949 3.629 5.643 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.647 1.583 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.462 3.191 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.238 2.993 6.662 1.00 0.00 H new ATOM 776 N ASP A 52 -15.826 2.282 2.670 1.00 0.00 N ATOM 777 CA ASP A 52 -16.312 2.560 1.330 1.00 0.00 C ATOM 778 C ASP A 52 -15.192 2.297 0.321 1.00 0.00 C ATOM 779 O ASP A 52 -15.095 2.982 -0.696 1.00 0.00 O ATOM 780 CB ASP A 52 -16.739 4.023 1.191 1.00 0.00 C ATOM 781 CG ASP A 52 -17.959 4.259 0.299 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.656 3.261 0.015 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.166 5.432 -0.080 1.00 0.00 O ATOM 0 H ASP A 52 -16.215 1.442 3.099 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.170 1.914 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.952 4.420 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.901 4.594 0.792 1.00 0.00 H new ATOM 788 N ILE A 53 -14.375 1.302 0.637 1.00 0.00 N ATOM 789 CA ILE A 53 -13.267 0.941 -0.229 1.00 0.00 C ATOM 790 C ILE A 53 -12.900 -0.526 0.005 1.00 0.00 C ATOM 791 O ILE A 53 -12.494 -0.900 1.104 1.00 0.00 O ATOM 792 CB ILE A 53 -12.096 1.906 -0.032 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.477 3.325 -0.460 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.845 1.406 -0.757 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.256 4.246 -0.455 1.00 0.00 C ATOM 0 H ILE A 53 -14.459 0.735 1.481 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.555 1.036 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.859 1.942 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.916 3.302 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.238 3.720 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.028 2.110 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.563 0.429 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.052 1.322 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.555 5.248 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.834 4.286 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.507 3.862 -1.148 1.00 0.00 H new ATOM 807 N PRO A 54 -13.061 -1.338 -1.074 1.00 0.00 N ATOM 808 CA PRO A 54 -12.752 -2.756 -0.996 1.00 0.00 C ATOM 809 C PRO A 54 -11.240 -2.989 -1.003 1.00 0.00 C ATOM 810 O PRO A 54 -10.466 -2.070 -0.737 1.00 0.00 O ATOM 811 CB PRO A 54 -13.455 -3.378 -2.192 1.00 0.00 C ATOM 812 CG PRO A 54 -13.742 -2.232 -3.149 1.00 0.00 C ATOM 813 CD PRO A 54 -13.540 -0.930 -2.390 1.00 0.00 C ATOM 0 HA PRO A 54 -13.096 -3.211 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.827 -4.134 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.377 -3.874 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.077 -2.279 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.761 -2.298 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.817 -0.287 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.470 -0.367 -2.316 1.00 0.00 H new ATOM 821 N PHE A 55 -10.864 -4.221 -1.313 1.00 0.00 N ATOM 822 CA PHE A 55 -9.459 -4.585 -1.358 1.00 0.00 C ATOM 823 C PHE A 55 -9.108 -5.248 -2.692 1.00 0.00 C ATOM 824 O PHE A 55 -9.349 -6.440 -2.879 1.00 0.00 O ATOM 825 CB PHE A 55 -9.219 -5.586 -0.226 1.00 0.00 C ATOM 826 CG PHE A 55 -8.000 -6.485 -0.438 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.750 -5.946 -0.451 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.163 -7.824 -0.613 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.619 -6.780 -0.648 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.031 -8.658 -0.810 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.783 -8.118 -0.822 1.00 0.00 C ATOM 0 H PHE A 55 -11.509 -4.980 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.840 -3.694 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.096 -5.039 0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.104 -6.212 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.619 -4.883 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.154 -8.253 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.628 -6.352 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.161 -9.721 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.922 -8.753 -0.970 1.00 0.00 H new ATOM 841 N ARG A 56 -8.543 -4.448 -3.584 1.00 0.00 N ATOM 842 CA ARG A 56 -8.157 -4.942 -4.895 1.00 0.00 C ATOM 843 C ARG A 56 -6.809 -4.349 -5.309 1.00 0.00 C ATOM 844 O ARG A 56 -6.238 -3.532 -4.588 1.00 0.00 O ATOM 845 CB ARG A 56 -9.208 -4.588 -5.949 1.00 0.00 C ATOM 846 CG ARG A 56 -10.620 -4.862 -5.430 1.00 0.00 C ATOM 847 CD ARG A 56 -10.966 -6.349 -5.542 1.00 0.00 C ATOM 848 NE ARG A 56 -12.422 -6.544 -5.363 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.026 -6.641 -4.170 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.302 -6.561 -3.045 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.352 -6.818 -4.102 1.00 0.00 N ATOM 0 H ARG A 56 -8.343 -3.461 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.076 -6.027 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.115 -3.537 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.030 -5.169 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.697 -4.544 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.341 -4.273 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.656 -6.731 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.419 -6.916 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.002 -6.609 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.292 -6.426 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.761 -6.635 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.903 -6.879 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.811 -6.892 -3.194 1.00 0.00 H new ATOM 865 N ASN A 57 -6.338 -4.784 -6.469 1.00 0.00 N ATOM 866 CA ASN A 57 -5.067 -4.307 -6.987 1.00 0.00 C ATOM 867 C ASN A 57 -4.939 -2.807 -6.710 1.00 0.00 C ATOM 868 O ASN A 57 -5.851 -2.038 -7.005 1.00 0.00 O ATOM 869 CB ASN A 57 -4.976 -4.517 -8.499 1.00 0.00 C ATOM 870 CG ASN A 57 -3.548 -4.872 -8.918 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.813 -5.539 -8.210 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.197 -4.388 -10.107 1.00 0.00 N ATOM 0 H ASN A 57 -6.814 -5.462 -7.065 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.271 -4.867 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.656 -5.314 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.296 -3.612 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.263 -4.569 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.862 -3.836 -10.649 1.00 0.00 H new ATOM 879 N PRO A 58 -3.769 -2.429 -6.130 1.00 0.00 N ATOM 880 CA PRO A 58 -3.509 -1.035 -5.809 1.00 0.00 C ATOM 881 C PRO A 58 -3.184 -0.233 -7.071 1.00 0.00 C ATOM 882 O PRO A 58 -3.183 0.996 -7.047 1.00 0.00 O ATOM 883 CB PRO A 58 -2.360 -1.068 -4.814 1.00 0.00 C ATOM 884 CG PRO A 58 -1.715 -2.435 -4.967 1.00 0.00 C ATOM 885 CD PRO A 58 -2.666 -3.313 -5.766 1.00 0.00 C ATOM 0 HA PRO A 58 -4.376 -0.534 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.643 -0.273 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.720 -0.918 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.755 -2.349 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.519 -2.876 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.178 -3.722 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.015 -4.159 -5.174 1.00 0.00 H new ATOM 893 N ASN A 59 -2.916 -0.963 -8.145 1.00 0.00 N ATOM 894 CA ASN A 59 -2.590 -0.335 -9.414 1.00 0.00 C ATOM 895 C ASN A 59 -3.876 -0.115 -10.214 1.00 0.00 C ATOM 896 O ASN A 59 -4.104 -0.779 -11.224 1.00 0.00 O ATOM 897 CB ASN A 59 -1.662 -1.223 -10.245 1.00 0.00 C ATOM 898 CG ASN A 59 -0.781 -0.381 -11.169 1.00 0.00 C ATOM 899 OD1 ASN A 59 0.405 -0.200 -10.944 1.00 0.00 O ATOM 900 ND2 ASN A 59 -1.423 0.124 -12.218 1.00 0.00 N ATOM 0 H ASN A 59 -2.918 -1.983 -8.162 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.091 0.611 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.035 -1.820 -9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.254 -1.920 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.922 0.701 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.417 -0.066 -12.348 1.00 0.00 H new ATOM 907 N THR A 60 -4.681 0.820 -9.733 1.00 0.00 N ATOM 908 CA THR A 60 -5.938 1.135 -10.390 1.00 0.00 C ATOM 909 C THR A 60 -6.693 2.213 -9.609 1.00 0.00 C ATOM 910 O THR A 60 -7.359 3.062 -10.200 1.00 0.00 O ATOM 911 CB THR A 60 -6.728 -0.165 -10.551 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.085 0.262 -10.643 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.694 -1.030 -9.290 1.00 0.00 C ATOM 0 H THR A 60 -4.488 1.370 -8.896 1.00 0.00 H new ATOM 0 HA THR A 60 -5.771 1.554 -11.382 1.00 0.00 H new ATOM 0 HB THR A 60 -6.327 -0.732 -11.391 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.667 -0.519 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.270 -1.940 -9.458 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.662 -1.291 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.126 -0.476 -8.457 1.00 0.00 H new ATOM 921 N TYR A 61 -6.565 2.142 -8.292 1.00 0.00 N ATOM 922 CA TYR A 61 -7.227 3.100 -7.423 1.00 0.00 C ATOM 923 C TYR A 61 -7.004 4.532 -7.916 1.00 0.00 C ATOM 924 O TYR A 61 -6.283 4.753 -8.887 1.00 0.00 O ATOM 925 CB TYR A 61 -6.579 2.940 -6.046 1.00 0.00 C ATOM 926 CG TYR A 61 -6.984 1.660 -5.314 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.316 1.311 -5.219 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.017 0.855 -4.746 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.697 0.107 -4.528 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.399 -0.350 -4.055 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.720 -0.665 -3.981 1.00 0.00 C ATOM 932 OH TYR A 61 -8.080 -1.802 -3.329 1.00 0.00 O ATOM 0 H TYR A 61 -6.013 1.436 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.302 2.920 -7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.495 2.953 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.844 3.799 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.072 1.941 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.975 1.128 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.736 -0.177 -4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.653 -0.989 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.042 -1.782 -3.143 1.00 0.00 H new ATOM 942 N ASP A 62 -7.637 5.467 -7.222 1.00 0.00 N ATOM 943 CA ASP A 62 -7.517 6.872 -7.576 1.00 0.00 C ATOM 944 C ASP A 62 -6.852 7.628 -6.425 1.00 0.00 C ATOM 945 O ASP A 62 -6.644 7.070 -5.349 1.00 0.00 O ATOM 946 CB ASP A 62 -8.892 7.497 -7.822 1.00 0.00 C ATOM 947 CG ASP A 62 -10.072 6.533 -7.695 1.00 0.00 C ATOM 948 OD1 ASP A 62 -9.945 5.407 -8.222 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.077 6.945 -7.074 1.00 0.00 O ATOM 0 H ASP A 62 -8.234 5.279 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.922 6.941 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.034 8.316 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.903 7.932 -8.822 1.00 0.00 H new ATOM 954 N ILE A 63 -6.538 8.888 -6.691 1.00 0.00 N ATOM 955 CA ILE A 63 -5.901 9.727 -5.690 1.00 0.00 C ATOM 956 C ILE A 63 -6.626 9.560 -4.354 1.00 0.00 C ATOM 957 O ILE A 63 -5.990 9.441 -3.308 1.00 0.00 O ATOM 958 CB ILE A 63 -5.828 11.177 -6.174 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.468 11.796 -5.849 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.985 12.003 -5.606 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.561 13.323 -5.790 1.00 0.00 C ATOM 0 H ILE A 63 -6.713 9.348 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.868 9.415 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.932 11.181 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.109 11.413 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.740 11.501 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.910 13.029 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.933 11.573 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.937 11.995 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.581 13.739 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.897 13.705 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.272 13.615 -5.017 1.00 0.00 H new ATOM 973 N HIS A 64 -7.950 9.557 -4.432 1.00 0.00 N ATOM 974 CA HIS A 64 -8.768 9.406 -3.241 1.00 0.00 C ATOM 975 C HIS A 64 -8.427 8.087 -2.545 1.00 0.00 C ATOM 976 O HIS A 64 -7.795 8.083 -1.490 1.00 0.00 O ATOM 977 CB HIS A 64 -10.254 9.527 -3.586 1.00 0.00 C ATOM 978 CG HIS A 64 -10.676 10.914 -4.007 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.356 12.048 -3.280 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.395 11.338 -5.085 1.00 0.00 C ATOM 981 CE1 HIS A 64 -10.865 13.101 -3.904 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.509 12.659 -5.022 1.00 0.00 N ATOM 0 H HIS A 64 -8.475 9.657 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.548 10.212 -2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.488 8.828 -4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.843 9.226 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.803 10.706 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.784 14.129 -3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.997 13.246 -5.698 1.00 0.00 H new ATOM 990 N ARG A 65 -8.858 6.999 -3.166 1.00 0.00 N ATOM 991 CA ARG A 65 -8.605 5.676 -2.621 1.00 0.00 C ATOM 992 C ARG A 65 -7.138 5.544 -2.209 1.00 0.00 C ATOM 993 O ARG A 65 -6.839 5.171 -1.075 1.00 0.00 O ATOM 994 CB ARG A 65 -8.943 4.586 -3.640 1.00 0.00 C ATOM 995 CG ARG A 65 -10.432 4.602 -3.987 1.00 0.00 C ATOM 996 CD ARG A 65 -11.034 3.199 -3.888 1.00 0.00 C ATOM 997 NE ARG A 65 -11.838 2.906 -5.095 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.026 3.466 -5.360 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.556 4.351 -4.505 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -13.685 3.141 -6.480 1.00 0.00 N ATOM 0 H ARG A 65 -9.381 7.007 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.244 5.549 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.354 4.734 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.670 3.610 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.959 5.276 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.570 4.990 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.240 2.460 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.659 3.125 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.465 2.236 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.055 4.599 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.460 4.777 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.282 2.467 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.589 3.567 -6.682 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.260 5.855 -3.152 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.832 5.776 -2.902 1.00 0.00 C ATOM 1016 C LEU A 66 -4.505 6.513 -1.602 1.00 0.00 C ATOM 1017 O LEU A 66 -3.760 6.004 -0.765 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.046 6.284 -4.112 1.00 0.00 C ATOM 1019 CG LEU A 66 -3.993 5.345 -5.320 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -2.979 5.839 -6.354 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.711 3.906 -4.883 1.00 0.00 C ATOM 0 H LEU A 66 -6.512 6.162 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.526 4.739 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.481 7.231 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.024 6.494 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.971 5.350 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.961 5.154 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.264 6.834 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.989 5.882 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.678 3.259 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.753 3.864 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.501 3.568 -4.212 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.076 7.701 -1.474 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.855 8.514 -0.290 1.00 0.00 C ATOM 1035 C GLU A 67 -5.535 7.881 0.925 1.00 0.00 C ATOM 1036 O GLU A 67 -4.897 7.661 1.954 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.345 9.947 -0.509 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.297 10.780 -1.248 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.586 11.741 -0.293 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.285 12.628 0.243 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.360 11.566 -0.120 1.00 0.00 O ATOM 0 H GLU A 67 -5.692 8.121 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.783 8.557 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.273 9.934 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.569 10.409 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.566 10.120 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.775 11.345 -2.049 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.821 7.604 0.766 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.595 7.000 1.836 1.00 0.00 C ATOM 1050 C LYS A 68 -6.829 5.801 2.399 1.00 0.00 C ATOM 1051 O LYS A 68 -6.633 5.698 3.608 1.00 0.00 O ATOM 1052 CB LYS A 68 -9.004 6.657 1.350 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.671 7.870 0.700 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.906 8.308 1.492 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.402 9.677 1.020 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.806 10.508 2.176 1.00 0.00 N ATOM 0 H LYS A 68 -7.346 7.787 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.729 7.706 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.956 5.837 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.608 6.312 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.960 8.694 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.958 7.627 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.699 7.569 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.665 8.351 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.616 10.182 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.246 9.551 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.140 11.433 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.571 10.032 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.991 10.643 2.808 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.418 4.925 1.495 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.678 3.736 1.885 1.00 0.00 C ATOM 1072 C ILE A 69 -4.427 4.153 2.661 1.00 0.00 C ATOM 1073 O ILE A 69 -4.131 3.595 3.716 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.384 2.863 0.665 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.643 2.130 0.198 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.231 1.898 0.946 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.897 2.369 -1.292 1.00 0.00 C ATOM 0 H ILE A 69 -6.583 5.014 0.492 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.276 3.116 2.553 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.069 3.513 -0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.536 1.062 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.502 2.471 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.043 1.289 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.334 2.465 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.494 1.251 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.798 1.837 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.027 3.436 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.047 2.005 -1.869 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.724 5.129 2.106 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.510 5.626 2.732 1.00 0.00 C ATOM 1091 C LEU A 70 -2.854 6.228 4.096 1.00 0.00 C ATOM 1092 O LEU A 70 -2.092 6.088 5.050 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.784 6.597 1.798 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.039 5.964 0.620 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.878 6.962 -0.527 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.304 5.384 1.069 1.00 0.00 C ATOM 0 H LEU A 70 -3.971 5.589 1.230 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.812 4.808 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.513 7.304 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.070 7.172 2.388 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.638 5.135 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.346 6.487 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.861 7.285 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.312 7.827 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.813 4.940 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.922 6.179 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.135 4.619 1.827 1.00 0.00 H new ATOM 1108 N LYS A 71 -4.004 6.885 4.144 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.459 7.508 5.375 1.00 0.00 C ATOM 1110 C LYS A 71 -4.794 6.421 6.399 1.00 0.00 C ATOM 1111 O LYS A 71 -4.979 6.711 7.579 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.617 8.467 5.095 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.142 9.920 5.109 1.00 0.00 C ATOM 1114 CD LYS A 71 -4.552 10.317 3.754 1.00 0.00 C ATOM 1115 CE LYS A 71 -3.039 10.092 3.727 1.00 0.00 C ATOM 1116 NZ LYS A 71 -2.327 11.292 4.219 1.00 0.00 N ATOM 0 H LYS A 71 -4.634 6.999 3.350 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.667 8.120 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.060 8.235 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.397 8.329 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.977 10.577 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.393 10.054 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.024 9.734 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.771 11.365 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.782 9.231 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.718 9.862 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.301 11.122 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.558 12.105 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.621 11.494 5.196 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.862 5.193 5.907 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.172 4.060 6.765 1.00 0.00 C ATOM 1132 C ALA A 72 -4.055 3.020 6.652 1.00 0.00 C ATOM 1133 O ALA A 72 -4.224 1.876 7.069 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.540 3.490 6.383 1.00 0.00 C ATOM 0 H ALA A 72 -4.708 4.957 4.927 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.228 4.372 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.773 2.641 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.302 4.259 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.521 3.163 5.343 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.940 3.457 6.087 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.795 2.577 5.914 1.00 0.00 C ATOM 1142 C ARG A 73 -1.439 1.904 7.241 1.00 0.00 C ATOM 1143 O ARG A 73 -0.962 0.770 7.257 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.580 3.351 5.400 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.117 4.390 6.424 1.00 0.00 C ATOM 1146 CD ARG A 73 1.008 5.257 5.855 1.00 0.00 C ATOM 1147 NE ARG A 73 1.386 6.301 6.834 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.461 7.092 6.711 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.270 6.962 5.652 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.726 8.012 7.648 1.00 0.00 N ATOM 0 H ARG A 73 -2.804 4.408 5.743 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.066 1.819 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.234 2.658 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.830 3.846 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.957 5.022 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.228 3.887 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.873 4.637 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.685 5.721 4.923 1.00 0.00 H new ATOM 0 HE ARG A 73 0.791 6.426 7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.068 6.261 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.088 7.564 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.110 8.110 8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.544 8.614 7.555 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.683 2.631 8.321 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.393 2.118 9.650 1.00 0.00 C ATOM 1166 C GLU A 74 -2.501 1.163 10.103 1.00 0.00 C ATOM 1167 O GLU A 74 -2.224 0.126 10.703 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.210 3.260 10.651 1.00 0.00 C ATOM 1169 CG GLU A 74 0.154 3.930 10.474 1.00 0.00 C ATOM 1170 CD GLU A 74 0.938 3.934 11.787 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.501 4.659 12.707 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.957 3.212 11.842 1.00 0.00 O ATOM 0 H GLU A 74 -2.078 3.571 8.304 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.456 1.563 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.002 3.997 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.302 2.876 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.724 3.405 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.018 4.953 10.125 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.731 1.550 9.799 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.882 0.742 10.167 1.00 0.00 C ATOM 1181 C HIS A 75 -4.884 -0.551 9.349 1.00 0.00 C ATOM 1182 O HIS A 75 -5.184 -1.622 9.875 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.178 1.541 10.017 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.363 2.613 11.064 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.158 2.438 12.183 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -5.847 3.873 11.151 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.116 3.550 12.904 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.304 4.438 12.262 1.00 0.00 N ATOM 0 H HIS A 75 -3.956 2.412 9.302 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.815 0.465 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.195 2.004 9.030 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.023 0.854 10.061 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.180 4.333 10.437 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.634 3.722 13.836 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.084 5.381 12.583 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.546 -0.409 8.077 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.505 -1.552 7.181 1.00 0.00 C ATOM 1198 C VAL A 76 -3.755 -2.700 7.859 1.00 0.00 C ATOM 1199 O VAL A 76 -2.635 -2.519 8.335 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.889 -1.146 5.841 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.671 -2.366 4.944 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.751 -0.095 5.137 1.00 0.00 C ATOM 0 H VAL A 76 -4.298 0.481 7.645 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.514 -1.904 6.966 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.915 -0.701 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.232 -2.048 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.998 -3.066 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.627 -2.854 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.291 0.176 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.745 -0.503 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.832 0.791 5.767 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.402 -3.856 7.882 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.810 -5.033 8.495 1.00 0.00 C ATOM 1214 C ARG A 77 -4.220 -6.293 7.730 1.00 0.00 C ATOM 1215 O ARG A 77 -5.383 -6.446 7.359 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.241 -5.169 9.956 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.674 -6.446 10.579 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.469 -6.135 11.468 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.130 -7.316 12.293 1.00 0.00 N ATOM 1220 CZ ARG A 77 -1.213 -7.313 13.270 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.539 -6.189 13.552 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -0.971 -8.431 13.966 1.00 0.00 N ATOM 0 H ARG A 77 -5.330 -4.003 7.486 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.727 -4.917 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.900 -4.302 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.329 -5.182 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.446 -6.941 11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.380 -7.139 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.615 -5.854 10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.691 -5.284 12.111 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.626 -8.188 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.724 -5.337 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.159 -6.186 14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.485 -9.286 13.753 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.273 -8.428 14.710 1.00 0.00 H new ATOM 1236 N MET A 78 -3.244 -7.162 7.518 1.00 0.00 N ATOM 1237 CA MET A 78 -3.490 -8.403 6.803 1.00 0.00 C ATOM 1238 C MET A 78 -3.366 -9.608 7.739 1.00 0.00 C ATOM 1239 O MET A 78 -2.497 -9.636 8.609 1.00 0.00 O ATOM 1240 CB MET A 78 -2.484 -8.541 5.658 1.00 0.00 C ATOM 1241 CG MET A 78 -2.840 -7.607 4.500 1.00 0.00 C ATOM 1242 SD MET A 78 -1.549 -7.641 3.268 1.00 0.00 S ATOM 1243 CE MET A 78 -2.296 -6.623 2.007 1.00 0.00 C ATOM 0 H MET A 78 -2.281 -7.032 7.828 1.00 0.00 H new ATOM 0 HA MET A 78 -4.505 -8.377 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.482 -8.312 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.467 -9.572 5.306 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.787 -7.912 4.055 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.974 -6.591 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.466 -7.220 1.111 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.247 -6.234 2.370 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.631 -5.792 1.769 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.249 -10.574 7.527 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.250 -11.777 8.341 1.00 0.00 C ATOM 1255 C VAL A 79 -4.389 -13.001 7.433 1.00 0.00 C ATOM 1256 O VAL A 79 -5.401 -13.163 6.755 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.349 -11.691 9.401 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.415 -12.977 10.229 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.150 -10.470 10.301 1.00 0.00 C ATOM 0 H VAL A 79 -4.968 -10.547 6.804 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.307 -11.876 8.878 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.302 -11.575 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.205 -12.889 10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.628 -13.821 9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.460 -13.137 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.945 -10.433 11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.185 -10.542 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.177 -9.564 9.696 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.355 -13.831 7.451 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.350 -15.035 6.637 1.00 0.00 C ATOM 1271 C ILE A 80 -4.411 -16.004 7.162 1.00 0.00 C ATOM 1272 O ILE A 80 -4.198 -16.678 8.168 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.943 -15.635 6.580 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.919 -14.592 6.128 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.916 -16.885 5.696 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -0.987 -14.377 4.615 1.00 0.00 C ATOM 0 H ILE A 80 -2.517 -13.693 8.015 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.615 -14.800 5.606 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.663 -15.945 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.104 -13.649 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.083 -14.916 6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.905 -17.292 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.599 -17.632 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.225 -16.622 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.249 -13.631 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.777 -15.317 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.983 -14.030 4.341 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.531 -16.044 6.454 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.626 -16.919 6.836 1.00 0.00 C ATOM 1290 C ILE A 81 -6.251 -18.367 6.515 1.00 0.00 C ATOM 1291 O ILE A 81 -6.365 -19.246 7.368 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.930 -16.462 6.180 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.305 -15.049 6.630 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.056 -17.465 6.441 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.241 -14.924 8.154 1.00 0.00 C ATOM 0 H ILE A 81 -5.703 -15.485 5.619 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.800 -16.865 7.911 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.775 -16.425 5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.628 -14.326 6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.310 -14.808 6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.972 -17.116 5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.780 -18.436 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.219 -17.558 7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.512 -13.910 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.936 -15.631 8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.229 -15.142 8.495 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.811 -18.571 5.282 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.418 -19.898 4.837 1.00 0.00 C ATOM 1309 C ASN A 82 -4.152 -19.792 3.986 1.00 0.00 C ATOM 1310 O ASN A 82 -4.222 -19.472 2.801 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.512 -20.539 3.980 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.675 -22.022 4.318 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.804 -22.653 4.893 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.836 -22.541 3.928 1.00 0.00 N ATOM 0 H ASN A 82 -5.718 -17.840 4.577 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.246 -20.512 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.457 -20.020 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.264 -20.428 2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.041 -23.524 4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.522 -21.956 3.451 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.024 -20.067 4.624 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.743 -20.006 3.940 1.00 0.00 C ATOM 1323 C GLN A 83 -1.766 -20.891 2.691 1.00 0.00 C ATOM 1324 O GLN A 83 -1.738 -20.387 1.569 1.00 0.00 O ATOM 1325 CB GLN A 83 -0.601 -20.409 4.875 1.00 0.00 C ATOM 1326 CG GLN A 83 0.584 -19.452 4.737 1.00 0.00 C ATOM 1327 CD GLN A 83 1.879 -20.110 5.218 1.00 0.00 C ATOM 1328 OE1 GLN A 83 2.344 -21.098 4.672 1.00 0.00 O ATOM 1329 NE2 GLN A 83 2.433 -19.510 6.268 1.00 0.00 N ATOM 0 H GLN A 83 -2.970 -20.333 5.607 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.568 -18.976 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.954 -20.410 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.281 -21.425 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.691 -19.148 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.395 -18.548 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.991 -18.686 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.300 -19.873 6.665 1.00 0.00 H new ATOM 1338 N SER A 84 -1.817 -22.193 2.929 1.00 0.00 N ATOM 1339 CA SER A 84 -1.844 -23.152 1.837 1.00 0.00 C ATOM 1340 C SER A 84 -0.790 -22.784 0.791 1.00 0.00 C ATOM 1341 O SER A 84 -1.058 -21.999 -0.117 1.00 0.00 O ATOM 1342 CB SER A 84 -3.231 -23.215 1.194 1.00 0.00 C ATOM 1343 OG SER A 84 -3.300 -24.206 0.171 1.00 0.00 O ATOM 0 H SER A 84 -1.840 -22.607 3.861 1.00 0.00 H new ATOM 0 HA SER A 84 -1.616 -24.138 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.976 -23.431 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.480 -22.241 0.773 1.00 0.00 H new ATOM 0 HG SER A 84 -4.201 -24.217 -0.214 1.00 0.00 H new ATOM 1349 N GLY A 85 0.388 -23.370 0.953 1.00 0.00 N ATOM 1350 CA GLY A 85 1.484 -23.113 0.034 1.00 0.00 C ATOM 1351 C GLY A 85 2.042 -21.702 0.227 1.00 0.00 C ATOM 1352 O GLY A 85 1.477 -20.732 -0.277 1.00 0.00 O ATOM 0 H GLY A 85 0.607 -24.022 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.275 -23.846 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.138 -23.234 -0.993 1.00 0.00 H new ATOM 1356 N PRO A 86 3.175 -21.629 0.976 1.00 0.00 N ATOM 1357 CA PRO A 86 3.816 -20.353 1.241 1.00 0.00 C ATOM 1358 C PRO A 86 4.561 -19.846 0.006 1.00 0.00 C ATOM 1359 O PRO A 86 4.785 -20.598 -0.941 1.00 0.00 O ATOM 1360 CB PRO A 86 4.735 -20.613 2.424 1.00 0.00 C ATOM 1361 CG PRO A 86 4.925 -22.120 2.481 1.00 0.00 C ATOM 1362 CD PRO A 86 3.871 -22.756 1.589 1.00 0.00 C ATOM 0 HA PRO A 86 3.101 -19.564 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.690 -20.104 2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.296 -20.239 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.925 -22.392 2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.826 -22.479 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.326 -23.398 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.186 -23.378 2.166 1.00 0.00 H new ATOM 1370 N SER A 87 4.923 -18.572 0.053 1.00 0.00 N ATOM 1371 CA SER A 87 5.638 -17.955 -1.051 1.00 0.00 C ATOM 1372 C SER A 87 6.513 -16.812 -0.535 1.00 0.00 C ATOM 1373 O SER A 87 6.377 -16.390 0.612 1.00 0.00 O ATOM 1374 CB SER A 87 4.668 -17.442 -2.117 1.00 0.00 C ATOM 1375 OG SER A 87 5.011 -17.906 -3.419 1.00 0.00 O ATOM 0 H SER A 87 4.734 -17.950 0.839 1.00 0.00 H new ATOM 0 HA SER A 87 6.274 -18.711 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.656 -17.765 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.665 -16.352 -2.110 1.00 0.00 H new ATOM 0 HG SER A 87 4.367 -17.558 -4.070 1.00 0.00 H new ATOM 1381 N SER A 88 7.392 -16.340 -1.408 1.00 0.00 N ATOM 1382 CA SER A 88 8.289 -15.254 -1.053 1.00 0.00 C ATOM 1383 C SER A 88 8.080 -14.073 -2.003 1.00 0.00 C ATOM 1384 O SER A 88 7.397 -14.201 -3.018 1.00 0.00 O ATOM 1385 CB SER A 88 9.749 -15.711 -1.089 1.00 0.00 C ATOM 1386 OG SER A 88 10.642 -14.679 -0.679 1.00 0.00 O ATOM 0 H SER A 88 7.502 -16.690 -2.360 1.00 0.00 H new ATOM 0 HA SER A 88 8.060 -14.940 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.874 -16.577 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.004 -16.031 -2.099 1.00 0.00 H new ATOM 0 HG SER A 88 11.563 -15.011 -0.714 1.00 0.00 H new ATOM 1392 N GLY A 89 8.682 -12.950 -1.640 1.00 0.00 N ATOM 1393 CA GLY A 89 8.569 -11.746 -2.448 1.00 0.00 C ATOM 1394 C GLY A 89 9.807 -10.861 -2.285 1.00 0.00 C ATOM 1395 O GLY A 89 9.846 -9.744 -2.800 1.00 0.00 O ATOM 0 H GLY A 89 9.249 -12.848 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.446 -12.017 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.678 -11.190 -2.156 1.00 0.00 H new TER 1399 GLY A 89