USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.718 K(o=0.6,f=-4.9!) USER MOD Set 1.2: A 77 CYS SG : rot 130:sc= -0.354 USER MOD Set 1.3: A 83 THR OG1 : rot -98:sc= 0.237 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.961 K(o=-0.12,f=-6.9!) USER MOD Set 2.2: A 67 HIS : no HE2:sc= 0.84 K(o=-0.12,f=-7.4!) USER MOD Set 3.1: A 30 SER OG : rot -49:sc= 2.3 USER MOD Set 3.2: A 32 THR OG1 : rot -24:sc= 1.94 USER MOD Set 4.1: A 1 GLY N :NH3+ -142:sc= 0.18 (180deg=0) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 5 SER OG : rot 33:sc= 0.227 USER MOD Single : A 6 SER OG : rot 22:sc= 0.977 USER MOD Single : A 8 GLN : amide:sc= 0.524 K(o=0.52,f=-0.22) USER MOD Single : A 12 MET CE :methyl -163:sc= -1.58! (180deg=-1.86!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= 1.9 (180deg=-0.174) USER MOD Single : A 21 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.18) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0658 K(o=-0.066,f=-1.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -158:sc= 1.05 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0095 X(o=-0.0095,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0035 X(o=-0.0035,f=-0.0035) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 0.195 (180deg=-0.422!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.09) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.217 11.255 -30.039 1.00 0.00 N ATOM 2 CA GLY A 1 2.423 10.979 -31.247 1.00 0.00 C ATOM 3 C GLY A 1 0.998 11.423 -30.990 1.00 0.00 C ATOM 4 O GLY A 1 0.804 12.298 -30.154 1.00 0.00 O ATOM 0 H1 GLY A 1 4.165 11.583 -30.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.746 11.991 -29.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.302 10.386 -29.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.838 11.510 -32.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.452 9.916 -31.486 1.00 0.00 H new ATOM 8 N SER A 2 0.023 10.823 -31.673 1.00 0.00 N ATOM 9 CA SER A 2 -1.364 10.802 -31.222 1.00 0.00 C ATOM 10 C SER A 2 -1.410 10.109 -29.857 1.00 0.00 C ATOM 11 O SER A 2 -1.814 10.706 -28.865 1.00 0.00 O ATOM 12 CB SER A 2 -2.202 10.057 -32.274 1.00 0.00 C ATOM 13 OG SER A 2 -1.464 8.964 -32.817 1.00 0.00 O ATOM 0 H SER A 2 0.176 10.337 -32.557 1.00 0.00 H new ATOM 0 HA SER A 2 -1.773 11.806 -31.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.124 9.692 -31.821 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.488 10.742 -33.072 1.00 0.00 H new ATOM 0 HG SER A 2 -2.011 8.499 -33.484 1.00 0.00 H new ATOM 19 N SER A 3 -0.878 8.882 -29.822 1.00 0.00 N ATOM 20 CA SER A 3 -0.732 8.054 -28.636 1.00 0.00 C ATOM 21 C SER A 3 -2.069 7.935 -27.887 1.00 0.00 C ATOM 22 O SER A 3 -2.277 8.552 -26.839 1.00 0.00 O ATOM 23 CB SER A 3 0.428 8.578 -27.773 1.00 0.00 C ATOM 24 OG SER A 3 1.632 8.763 -28.531 1.00 0.00 O ATOM 0 H SER A 3 -0.524 8.425 -30.662 1.00 0.00 H new ATOM 0 HA SER A 3 -0.468 7.035 -28.921 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.139 9.525 -27.317 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.618 7.878 -26.960 1.00 0.00 H new ATOM 0 HG SER A 3 2.341 9.098 -27.943 1.00 0.00 H new ATOM 30 N GLY A 4 -2.996 7.155 -28.452 1.00 0.00 N ATOM 31 CA GLY A 4 -4.242 6.779 -27.805 1.00 0.00 C ATOM 32 C GLY A 4 -3.932 5.921 -26.585 1.00 0.00 C ATOM 33 O GLY A 4 -3.754 4.712 -26.742 1.00 0.00 O ATOM 0 H GLY A 4 -2.893 6.764 -29.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.795 7.670 -27.507 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.876 6.229 -28.501 1.00 0.00 H new ATOM 37 N SER A 5 -3.842 6.552 -25.409 1.00 0.00 N ATOM 38 CA SER A 5 -3.516 6.010 -24.089 1.00 0.00 C ATOM 39 C SER A 5 -2.194 5.225 -24.018 1.00 0.00 C ATOM 40 O SER A 5 -2.021 4.198 -24.676 1.00 0.00 O ATOM 41 CB SER A 5 -4.717 5.266 -23.483 1.00 0.00 C ATOM 42 OG SER A 5 -5.315 4.388 -24.410 1.00 0.00 O ATOM 0 H SER A 5 -4.013 7.556 -25.355 1.00 0.00 H new ATOM 0 HA SER A 5 -3.316 6.871 -23.452 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.391 4.703 -22.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.456 5.990 -23.139 1.00 0.00 H new ATOM 0 HG SER A 5 -4.627 4.022 -25.005 1.00 0.00 H new ATOM 48 N SER A 6 -1.236 5.701 -23.218 1.00 0.00 N ATOM 49 CA SER A 6 -0.026 4.968 -22.849 1.00 0.00 C ATOM 50 C SER A 6 0.497 5.485 -21.506 1.00 0.00 C ATOM 51 O SER A 6 1.370 6.362 -21.457 1.00 0.00 O ATOM 52 CB SER A 6 1.036 5.077 -23.953 1.00 0.00 C ATOM 53 OG SER A 6 0.647 4.313 -25.080 1.00 0.00 O ATOM 0 H SER A 6 -1.283 6.630 -22.800 1.00 0.00 H new ATOM 0 HA SER A 6 -0.265 3.910 -22.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.168 6.120 -24.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.997 4.725 -23.579 1.00 0.00 H new ATOM 0 HG SER A 6 -0.322 4.170 -25.060 1.00 0.00 H new ATOM 59 N GLY A 7 -0.037 4.935 -20.417 1.00 0.00 N ATOM 60 CA GLY A 7 0.504 5.086 -19.075 1.00 0.00 C ATOM 61 C GLY A 7 1.318 3.853 -18.686 1.00 0.00 C ATOM 62 O GLY A 7 1.279 2.836 -19.381 1.00 0.00 O ATOM 0 H GLY A 7 -0.878 4.359 -20.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.133 5.975 -19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.308 5.233 -18.363 1.00 0.00 H new ATOM 66 N GLN A 8 2.040 3.928 -17.568 1.00 0.00 N ATOM 67 CA GLN A 8 2.722 2.823 -16.905 1.00 0.00 C ATOM 68 C GLN A 8 2.643 3.030 -15.390 1.00 0.00 C ATOM 69 O GLN A 8 2.361 4.138 -14.923 1.00 0.00 O ATOM 70 CB GLN A 8 4.193 2.726 -17.365 1.00 0.00 C ATOM 71 CG GLN A 8 4.413 2.070 -18.736 1.00 0.00 C ATOM 72 CD GLN A 8 3.912 0.627 -18.754 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.627 -0.320 -18.436 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.662 0.413 -19.109 1.00 0.00 N ATOM 0 H GLN A 8 2.170 4.812 -17.076 1.00 0.00 H new ATOM 0 HA GLN A 8 2.233 1.886 -17.172 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.615 3.731 -17.390 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.753 2.164 -16.618 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.895 2.646 -19.503 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.474 2.091 -18.984 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.066 1.197 -19.374 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.290 -0.537 -19.119 1.00 0.00 H new ATOM 83 N ALA A 9 2.932 1.960 -14.641 1.00 0.00 N ATOM 84 CA ALA A 9 2.747 1.802 -13.206 1.00 0.00 C ATOM 85 C ALA A 9 1.334 2.182 -12.776 1.00 0.00 C ATOM 86 O ALA A 9 1.064 3.318 -12.394 1.00 0.00 O ATOM 87 CB ALA A 9 3.845 2.516 -12.420 1.00 0.00 C ATOM 0 H ALA A 9 3.332 1.121 -15.061 1.00 0.00 H new ATOM 0 HA ALA A 9 2.850 0.744 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.676 2.378 -11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.815 2.100 -12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.828 3.580 -12.655 1.00 0.00 H new ATOM 93 N GLU A 10 0.418 1.223 -12.857 1.00 0.00 N ATOM 94 CA GLU A 10 -0.937 1.356 -12.358 1.00 0.00 C ATOM 95 C GLU A 10 -1.387 -0.052 -11.951 1.00 0.00 C ATOM 96 O GLU A 10 -1.672 -0.862 -12.835 1.00 0.00 O ATOM 97 CB GLU A 10 -1.812 1.981 -13.452 1.00 0.00 C ATOM 98 CG GLU A 10 -2.993 2.755 -12.879 1.00 0.00 C ATOM 99 CD GLU A 10 -3.991 3.066 -13.991 1.00 0.00 C ATOM 100 OE1 GLU A 10 -3.579 3.720 -14.981 1.00 0.00 O ATOM 101 OE2 GLU A 10 -5.156 2.628 -13.886 1.00 0.00 O ATOM 0 H GLU A 10 0.605 0.314 -13.281 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.014 2.014 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.204 2.650 -14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.181 1.195 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.477 2.172 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.646 3.680 -12.419 1.00 0.00 H new ATOM 108 N LEU A 11 -1.356 -0.343 -10.643 1.00 0.00 N ATOM 109 CA LEU A 11 -1.546 -1.619 -9.933 1.00 0.00 C ATOM 110 C LEU A 11 -0.697 -2.801 -10.442 1.00 0.00 C ATOM 111 O LEU A 11 -0.069 -2.732 -11.502 1.00 0.00 O ATOM 112 CB LEU A 11 -3.049 -1.949 -9.870 1.00 0.00 C ATOM 113 CG LEU A 11 -3.829 -1.051 -8.888 1.00 0.00 C ATOM 114 CD1 LEU A 11 -5.339 -1.217 -9.081 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.505 -1.370 -7.424 1.00 0.00 C ATOM 0 H LEU A 11 -1.174 0.404 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.159 -1.470 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.479 -1.845 -10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.173 -2.991 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.523 -0.028 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.869 -0.574 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.608 -0.939 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.617 -2.256 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.079 -0.711 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.765 -2.407 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.440 -1.219 -7.246 1.00 0.00 H new ATOM 127 N MET A 12 -0.648 -3.902 -9.679 1.00 0.00 N ATOM 128 CA MET A 12 -0.083 -5.185 -10.101 1.00 0.00 C ATOM 129 C MET A 12 -1.082 -6.286 -9.760 1.00 0.00 C ATOM 130 O MET A 12 -1.325 -6.552 -8.583 1.00 0.00 O ATOM 131 CB MET A 12 1.220 -5.483 -9.344 1.00 0.00 C ATOM 132 CG MET A 12 2.387 -4.550 -9.664 1.00 0.00 C ATOM 133 SD MET A 12 3.280 -3.906 -8.233 1.00 0.00 S ATOM 134 CE MET A 12 4.186 -5.359 -7.667 1.00 0.00 C ATOM 0 H MET A 12 -1.011 -3.922 -8.726 1.00 0.00 H new ATOM 0 HA MET A 12 0.122 -5.143 -11.171 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.019 -5.433 -8.274 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.523 -6.507 -9.564 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.092 -5.084 -10.301 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.008 -3.708 -10.243 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.529 -5.198 -6.645 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.532 -6.230 -7.697 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.045 -5.528 -8.316 1.00 0.00 H new ATOM 144 N THR A 13 -1.633 -6.951 -10.768 1.00 0.00 N ATOM 145 CA THR A 13 -2.332 -8.218 -10.583 1.00 0.00 C ATOM 146 C THR A 13 -1.274 -9.309 -10.438 1.00 0.00 C ATOM 147 O THR A 13 -0.249 -9.296 -11.136 1.00 0.00 O ATOM 148 CB THR A 13 -3.268 -8.542 -11.764 1.00 0.00 C ATOM 149 OG1 THR A 13 -4.044 -7.417 -12.135 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.211 -9.702 -11.423 1.00 0.00 C ATOM 0 H THR A 13 -1.608 -6.628 -11.735 1.00 0.00 H new ATOM 0 HA THR A 13 -2.961 -8.155 -9.695 1.00 0.00 H new ATOM 0 HB THR A 13 -2.629 -8.827 -12.600 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.626 -7.654 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.859 -9.907 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.625 -10.591 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.821 -9.434 -10.560 1.00 0.00 H new ATOM 158 N LEU A 14 -1.539 -10.281 -9.572 1.00 0.00 N ATOM 159 CA LEU A 14 -0.783 -11.503 -9.345 1.00 0.00 C ATOM 160 C LEU A 14 -1.803 -12.617 -9.066 1.00 0.00 C ATOM 161 O LEU A 14 -2.986 -12.331 -8.880 1.00 0.00 O ATOM 162 CB LEU A 14 0.200 -11.307 -8.180 1.00 0.00 C ATOM 163 CG LEU A 14 1.272 -10.222 -8.395 1.00 0.00 C ATOM 164 CD1 LEU A 14 2.004 -9.941 -7.082 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.281 -10.647 -9.468 1.00 0.00 C ATOM 0 H LEU A 14 -2.355 -10.228 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.180 -11.771 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.369 -11.059 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.701 -12.255 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 14 0.771 -9.315 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.760 -9.173 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.290 -9.596 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.484 -10.854 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.026 -9.862 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.775 -11.568 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.761 -10.814 -10.411 1.00 0.00 H new ATOM 177 N THR A 15 -1.390 -13.884 -9.053 1.00 0.00 N ATOM 178 CA THR A 15 -2.287 -14.994 -8.738 1.00 0.00 C ATOM 179 C THR A 15 -1.701 -15.781 -7.572 1.00 0.00 C ATOM 180 O THR A 15 -0.492 -15.765 -7.345 1.00 0.00 O ATOM 181 CB THR A 15 -2.540 -15.912 -9.957 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.214 -15.331 -11.208 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.016 -16.312 -10.014 1.00 0.00 C ATOM 0 H THR A 15 -0.432 -14.168 -9.259 1.00 0.00 H new ATOM 0 HA THR A 15 -3.259 -14.586 -8.460 1.00 0.00 H new ATOM 0 HB THR A 15 -1.882 -16.767 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.400 -15.973 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.185 -16.958 -10.875 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.284 -16.846 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.632 -15.417 -10.105 1.00 0.00 H new ATOM 191 N ILE A 16 -2.551 -16.481 -6.833 1.00 0.00 N ATOM 192 CA ILE A 16 -2.170 -17.499 -5.862 1.00 0.00 C ATOM 193 C ILE A 16 -3.055 -18.722 -6.107 1.00 0.00 C ATOM 194 O ILE A 16 -4.042 -18.608 -6.830 1.00 0.00 O ATOM 195 CB ILE A 16 -2.302 -16.956 -4.424 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.697 -16.388 -4.128 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.282 -15.862 -4.098 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.812 -15.780 -2.732 1.00 0.00 C ATOM 0 H ILE A 16 -3.561 -16.351 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.124 -17.782 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.115 -17.828 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.938 -15.627 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.436 -17.182 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.428 -15.523 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.273 -16.260 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.418 -15.023 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.821 -15.396 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.601 -16.544 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.095 -14.965 -2.630 1.00 0.00 H new ATOM 210 N VAL A 17 -2.764 -19.862 -5.482 1.00 0.00 N ATOM 211 CA VAL A 17 -3.710 -20.969 -5.344 1.00 0.00 C ATOM 212 C VAL A 17 -3.967 -21.093 -3.848 1.00 0.00 C ATOM 213 O VAL A 17 -3.102 -20.758 -3.033 1.00 0.00 O ATOM 214 CB VAL A 17 -3.154 -22.272 -5.971 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.187 -23.421 -5.982 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.727 -22.057 -7.430 1.00 0.00 C ATOM 0 H VAL A 17 -1.857 -20.045 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.640 -20.785 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.304 -22.541 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.741 -24.307 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.490 -23.647 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.060 -23.120 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.342 -22.992 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.586 -21.732 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.949 -21.295 -7.473 1.00 0.00 H new ATOM 226 N LYS A 18 -5.144 -21.563 -3.439 1.00 0.00 N ATOM 227 CA LYS A 18 -5.351 -21.847 -2.023 1.00 0.00 C ATOM 228 C LYS A 18 -4.526 -23.070 -1.605 1.00 0.00 C ATOM 229 O LYS A 18 -4.081 -23.851 -2.447 1.00 0.00 O ATOM 230 CB LYS A 18 -6.850 -21.964 -1.746 1.00 0.00 C ATOM 231 CG LYS A 18 -7.194 -21.721 -0.267 1.00 0.00 C ATOM 232 CD LYS A 18 -8.665 -21.351 -0.070 1.00 0.00 C ATOM 233 CE LYS A 18 -8.807 -20.925 1.385 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.188 -20.648 1.796 1.00 0.00 N ATOM 0 H LYS A 18 -5.943 -21.750 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.989 -21.029 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.388 -21.245 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.194 -22.956 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.966 -22.618 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.564 -20.922 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.956 -20.544 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.312 -22.199 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.400 -21.709 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.204 -20.033 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.292 -19.634 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.838 -20.913 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.414 -21.200 2.648 1.00 0.00 H new ATOM 248 N GLY A 19 -4.371 -23.276 -0.301 1.00 0.00 N ATOM 249 CA GLY A 19 -3.788 -24.461 0.322 1.00 0.00 C ATOM 250 C GLY A 19 -4.660 -24.840 1.517 1.00 0.00 C ATOM 251 O GLY A 19 -5.507 -24.037 1.920 1.00 0.00 O ATOM 0 H GLY A 19 -4.665 -22.583 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.741 -25.283 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.766 -24.259 0.644 1.00 0.00 H new ATOM 255 N ALA A 20 -4.507 -26.045 2.073 1.00 0.00 N ATOM 256 CA ALA A 20 -5.488 -26.616 2.997 1.00 0.00 C ATOM 257 C ALA A 20 -5.507 -25.979 4.398 1.00 0.00 C ATOM 258 O ALA A 20 -6.566 -25.985 5.030 1.00 0.00 O ATOM 259 CB ALA A 20 -5.291 -28.127 3.087 1.00 0.00 C ATOM 0 H ALA A 20 -3.704 -26.649 1.896 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.467 -26.385 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.023 -28.549 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.423 -28.571 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.286 -28.342 3.449 1.00 0.00 H new ATOM 265 N GLN A 21 -4.417 -25.358 4.872 1.00 0.00 N ATOM 266 CA GLN A 21 -4.444 -24.465 6.039 1.00 0.00 C ATOM 267 C GLN A 21 -5.054 -23.097 5.674 1.00 0.00 C ATOM 268 O GLN A 21 -4.961 -22.143 6.446 1.00 0.00 O ATOM 269 CB GLN A 21 -3.042 -24.289 6.648 1.00 0.00 C ATOM 270 CG GLN A 21 -2.446 -25.570 7.250 1.00 0.00 C ATOM 271 CD GLN A 21 -3.177 -26.124 8.480 1.00 0.00 C ATOM 272 OE1 GLN A 21 -3.837 -25.417 9.249 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.056 -27.416 8.726 1.00 0.00 N ATOM 0 H GLN A 21 -3.491 -25.461 4.456 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.078 -24.933 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.368 -23.917 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.090 -23.525 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.433 -26.341 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.409 -25.374 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.513 -28.006 8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.506 -27.823 9.546 1.00 0.00 H new ATOM 282 N GLY A 22 -5.694 -22.974 4.511 1.00 0.00 N ATOM 283 CA GLY A 22 -6.282 -21.759 3.996 1.00 0.00 C ATOM 284 C GLY A 22 -5.188 -20.809 3.545 1.00 0.00 C ATOM 285 O GLY A 22 -4.983 -19.754 4.143 1.00 0.00 O ATOM 0 H GLY A 22 -5.817 -23.765 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.943 -21.990 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.893 -21.286 4.765 1.00 0.00 H new ATOM 289 N PHE A 23 -4.538 -21.213 2.452 1.00 0.00 N ATOM 290 CA PHE A 23 -3.383 -20.603 1.799 1.00 0.00 C ATOM 291 C PHE A 23 -2.089 -20.906 2.563 1.00 0.00 C ATOM 292 O PHE A 23 -2.087 -21.419 3.687 1.00 0.00 O ATOM 293 CB PHE A 23 -3.554 -19.092 1.531 1.00 0.00 C ATOM 294 CG PHE A 23 -4.703 -18.707 0.621 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.981 -18.415 1.145 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.477 -18.583 -0.764 1.00 0.00 C ATOM 297 CE1 PHE A 23 -7.016 -17.995 0.292 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.533 -18.211 -1.608 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.786 -17.867 -1.086 1.00 0.00 C ATOM 0 H PHE A 23 -4.836 -22.054 1.957 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.310 -21.066 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.688 -18.586 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.629 -18.713 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.164 -18.515 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.496 -18.773 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.991 -17.770 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.378 -18.189 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.568 -17.507 -1.738 1.00 0.00 H new ATOM 309 N GLY A 24 -0.963 -20.607 1.920 1.00 0.00 N ATOM 310 CA GLY A 24 0.390 -20.784 2.429 1.00 0.00 C ATOM 311 C GLY A 24 1.085 -19.447 2.660 1.00 0.00 C ATOM 312 O GLY A 24 2.305 -19.344 2.578 1.00 0.00 O ATOM 0 H GLY A 24 -0.973 -20.214 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.357 -21.343 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.970 -21.378 1.723 1.00 0.00 H new ATOM 316 N PHE A 25 0.319 -18.398 2.946 1.00 0.00 N ATOM 317 CA PHE A 25 0.841 -17.117 3.390 1.00 0.00 C ATOM 318 C PHE A 25 -0.061 -16.610 4.504 1.00 0.00 C ATOM 319 O PHE A 25 -1.114 -17.192 4.772 1.00 0.00 O ATOM 320 CB PHE A 25 0.974 -16.127 2.219 1.00 0.00 C ATOM 321 CG PHE A 25 -0.308 -15.485 1.731 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.253 -16.261 1.049 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.546 -14.112 1.922 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.436 -15.681 0.564 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.721 -13.525 1.420 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.667 -14.310 0.743 1.00 0.00 C ATOM 0 H PHE A 25 -0.698 -18.419 2.873 1.00 0.00 H new ATOM 0 HA PHE A 25 1.853 -17.228 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.661 -15.335 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.435 -16.649 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.070 -17.314 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.174 -13.508 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.167 -16.290 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.896 -12.468 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.571 -13.859 0.361 1.00 0.00 H new ATOM 336 N THR A 26 0.334 -15.520 5.139 1.00 0.00 N ATOM 337 CA THR A 26 -0.344 -14.923 6.271 1.00 0.00 C ATOM 338 C THR A 26 -0.501 -13.435 5.995 1.00 0.00 C ATOM 339 O THR A 26 0.386 -12.827 5.381 1.00 0.00 O ATOM 340 CB THR A 26 0.465 -15.173 7.555 1.00 0.00 C ATOM 341 OG1 THR A 26 1.832 -14.835 7.384 1.00 0.00 O ATOM 342 CG2 THR A 26 0.453 -16.634 8.006 1.00 0.00 C ATOM 0 H THR A 26 1.172 -15.007 4.866 1.00 0.00 H new ATOM 0 HA THR A 26 -1.329 -15.369 6.413 1.00 0.00 H new ATOM 0 HB THR A 26 -0.021 -14.546 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.318 -15.004 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.043 -16.738 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.573 -16.946 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.881 -17.260 7.223 1.00 0.00 H new ATOM 350 N ILE A 27 -1.594 -12.845 6.478 1.00 0.00 N ATOM 351 CA ILE A 27 -1.815 -11.408 6.403 1.00 0.00 C ATOM 352 C ILE A 27 -1.896 -10.838 7.812 1.00 0.00 C ATOM 353 O ILE A 27 -2.294 -11.528 8.759 1.00 0.00 O ATOM 354 CB ILE A 27 -3.033 -11.042 5.520 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.365 -11.622 6.048 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.750 -11.497 4.077 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.590 -11.151 5.239 1.00 0.00 C ATOM 0 H ILE A 27 -2.351 -13.355 6.933 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.966 -10.944 5.901 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.163 -9.960 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.316 -12.711 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.493 -11.333 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.600 -11.246 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.858 -10.993 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.591 -12.575 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.494 -11.592 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.661 -10.064 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.482 -11.463 4.200 1.00 0.00 H new ATOM 369 N ALA A 28 -1.522 -9.571 7.924 1.00 0.00 N ATOM 370 CA ALA A 28 -1.635 -8.743 9.100 1.00 0.00 C ATOM 371 C ALA A 28 -2.380 -7.469 8.711 1.00 0.00 C ATOM 372 O ALA A 28 -2.368 -7.044 7.553 1.00 0.00 O ATOM 373 CB ALA A 28 -0.241 -8.424 9.645 1.00 0.00 C ATOM 0 H ALA A 28 -1.105 -9.069 7.140 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.186 -9.259 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.332 -7.798 10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.269 -9.352 9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.334 -7.894 8.886 1.00 0.00 H new ATOM 379 N ASP A 29 -3.026 -6.873 9.704 1.00 0.00 N ATOM 380 CA ASP A 29 -3.696 -5.588 9.588 1.00 0.00 C ATOM 381 C ASP A 29 -2.631 -4.490 9.493 1.00 0.00 C ATOM 382 O ASP A 29 -1.706 -4.441 10.312 1.00 0.00 O ATOM 383 CB ASP A 29 -4.678 -5.440 10.766 1.00 0.00 C ATOM 384 CG ASP A 29 -4.892 -4.013 11.257 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.169 -3.114 10.438 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.888 -3.818 12.497 1.00 0.00 O ATOM 0 H ASP A 29 -3.100 -7.282 10.636 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.296 -5.505 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.642 -5.853 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.315 -6.043 11.598 1.00 0.00 H new ATOM 391 N SER A 30 -2.746 -3.626 8.480 1.00 0.00 N ATOM 392 CA SER A 30 -2.013 -2.372 8.390 1.00 0.00 C ATOM 393 C SER A 30 -3.059 -1.248 8.289 1.00 0.00 C ATOM 394 O SER A 30 -4.162 -1.491 7.794 1.00 0.00 O ATOM 395 CB SER A 30 -1.027 -2.379 7.195 1.00 0.00 C ATOM 396 OG SER A 30 -1.634 -1.892 6.016 1.00 0.00 O ATOM 0 H SER A 30 -3.366 -3.788 7.686 1.00 0.00 H new ATOM 0 HA SER A 30 -1.391 -2.218 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.158 -1.767 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.666 -3.394 7.027 1.00 0.00 H new ATOM 0 HG SER A 30 -2.498 -2.336 5.886 1.00 0.00 H new ATOM 402 N PRO A 31 -2.699 0.001 8.617 1.00 0.00 N ATOM 403 CA PRO A 31 -3.582 1.159 8.516 1.00 0.00 C ATOM 404 C PRO A 31 -3.908 1.584 7.073 1.00 0.00 C ATOM 405 O PRO A 31 -4.415 2.686 6.876 1.00 0.00 O ATOM 406 CB PRO A 31 -2.849 2.268 9.279 1.00 0.00 C ATOM 407 CG PRO A 31 -1.377 1.891 9.214 1.00 0.00 C ATOM 408 CD PRO A 31 -1.403 0.375 9.154 1.00 0.00 C ATOM 0 HA PRO A 31 -4.562 0.927 8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.026 3.242 8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.194 2.330 10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.891 2.319 8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.832 2.249 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.599 -0.001 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.256 -0.054 10.145 1.00 0.00 H new ATOM 416 N THR A 32 -3.581 0.777 6.064 1.00 0.00 N ATOM 417 CA THR A 32 -3.613 1.179 4.658 1.00 0.00 C ATOM 418 C THR A 32 -4.429 0.225 3.786 1.00 0.00 C ATOM 419 O THR A 32 -4.609 0.473 2.596 1.00 0.00 O ATOM 420 CB THR A 32 -2.166 1.325 4.154 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.374 0.158 4.300 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.406 2.386 4.934 1.00 0.00 C ATOM 0 H THR A 32 -3.282 -0.188 6.202 1.00 0.00 H new ATOM 0 HA THR A 32 -4.124 2.139 4.582 1.00 0.00 H new ATOM 0 HB THR A 32 -2.298 1.571 3.100 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.737 -0.395 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.389 2.461 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.907 3.348 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.377 2.111 5.988 1.00 0.00 H new ATOM 430 N GLY A 33 -4.891 -0.886 4.354 1.00 0.00 N ATOM 431 CA GLY A 33 -5.307 -2.065 3.623 1.00 0.00 C ATOM 432 C GLY A 33 -4.622 -3.265 4.264 1.00 0.00 C ATOM 433 O GLY A 33 -3.716 -3.112 5.096 1.00 0.00 O ATOM 0 H GLY A 33 -4.986 -0.987 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.391 -2.177 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.031 -1.982 2.572 1.00 0.00 H new ATOM 437 N GLN A 34 -5.017 -4.474 3.883 1.00 0.00 N ATOM 438 CA GLN A 34 -4.340 -5.659 4.390 1.00 0.00 C ATOM 439 C GLN A 34 -2.972 -5.792 3.744 1.00 0.00 C ATOM 440 O GLN A 34 -2.759 -5.348 2.611 1.00 0.00 O ATOM 441 CB GLN A 34 -5.198 -6.912 4.179 1.00 0.00 C ATOM 442 CG GLN A 34 -6.509 -6.872 4.968 1.00 0.00 C ATOM 443 CD GLN A 34 -6.325 -6.285 6.357 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.603 -6.841 7.175 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.941 -5.152 6.624 1.00 0.00 N ATOM 0 H GLN A 34 -5.786 -4.657 3.239 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.194 -5.552 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.421 -7.020 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.627 -7.792 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.243 -6.281 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.911 -7.882 5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.535 -4.716 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.824 -4.710 7.536 1.00 0.00 H new ATOM 454 N ARG A 35 -2.043 -6.411 4.476 1.00 0.00 N ATOM 455 CA ARG A 35 -0.700 -6.662 3.996 1.00 0.00 C ATOM 456 C ARG A 35 -0.241 -8.037 4.422 1.00 0.00 C ATOM 457 O ARG A 35 -0.728 -8.611 5.394 1.00 0.00 O ATOM 458 CB ARG A 35 0.274 -5.629 4.556 1.00 0.00 C ATOM 459 CG ARG A 35 -0.007 -4.205 4.082 1.00 0.00 C ATOM 460 CD ARG A 35 1.197 -3.360 4.490 1.00 0.00 C ATOM 461 NE ARG A 35 0.945 -1.914 4.396 1.00 0.00 N ATOM 462 CZ ARG A 35 1.859 -0.951 4.222 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.164 -1.213 4.307 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.434 0.277 3.954 1.00 0.00 N ATOM 0 H ARG A 35 -2.212 -6.751 5.423 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.716 -6.596 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.233 -5.656 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.289 -5.905 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.150 -4.178 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.921 -3.820 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.477 -3.608 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.045 -3.617 3.856 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.027 -1.614 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.482 -2.161 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.844 -0.465 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.434 0.467 3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.107 1.031 3.817 1.00 0.00 H new ATOM 478 N VAL A 36 0.771 -8.526 3.739 1.00 0.00 N ATOM 479 CA VAL A 36 1.387 -9.814 3.957 1.00 0.00 C ATOM 480 C VAL A 36 2.301 -9.695 5.160 1.00 0.00 C ATOM 481 O VAL A 36 3.234 -8.882 5.179 1.00 0.00 O ATOM 482 CB VAL A 36 2.134 -10.202 2.679 1.00 0.00 C ATOM 483 CG1 VAL A 36 3.061 -11.409 2.839 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.131 -10.516 1.570 1.00 0.00 C ATOM 0 H VAL A 36 1.208 -8.008 2.977 1.00 0.00 H new ATOM 0 HA VAL A 36 0.660 -10.598 4.167 1.00 0.00 H new ATOM 0 HB VAL A 36 2.758 -9.344 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.552 -11.619 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.814 -11.192 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.478 -12.277 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.667 -10.792 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.493 -11.344 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.516 -9.637 1.376 1.00 0.00 H new ATOM 494 N LYS A 37 2.043 -10.542 6.153 1.00 0.00 N ATOM 495 CA LYS A 37 2.993 -10.839 7.211 1.00 0.00 C ATOM 496 C LYS A 37 4.121 -11.683 6.629 1.00 0.00 C ATOM 497 O LYS A 37 5.285 -11.318 6.786 1.00 0.00 O ATOM 498 CB LYS A 37 2.252 -11.549 8.351 1.00 0.00 C ATOM 499 CG LYS A 37 3.196 -12.138 9.416 1.00 0.00 C ATOM 500 CD LYS A 37 2.393 -12.865 10.500 1.00 0.00 C ATOM 501 CE LYS A 37 3.011 -12.699 11.898 1.00 0.00 C ATOM 502 NZ LYS A 37 3.683 -13.917 12.385 1.00 0.00 N ATOM 0 H LYS A 37 1.160 -11.044 6.243 1.00 0.00 H new ATOM 0 HA LYS A 37 3.437 -9.932 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.572 -10.843 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.640 -12.349 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.896 -12.830 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.788 -11.341 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.372 -12.483 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.335 -13.926 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.730 -11.880 11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.229 -12.417 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.078 -13.741 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.996 -14.696 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.450 -14.175 11.732 1.00 0.00 H new ATOM 516 N GLN A 38 3.803 -12.825 6.013 1.00 0.00 N ATOM 517 CA GLN A 38 4.810 -13.761 5.530 1.00 0.00 C ATOM 518 C GLN A 38 4.203 -14.719 4.514 1.00 0.00 C ATOM 519 O GLN A 38 3.052 -15.123 4.678 1.00 0.00 O ATOM 520 CB GLN A 38 5.383 -14.538 6.732 1.00 0.00 C ATOM 521 CG GLN A 38 6.678 -15.263 6.328 1.00 0.00 C ATOM 522 CD GLN A 38 7.729 -15.418 7.426 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.675 -14.780 8.479 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.730 -16.244 7.192 1.00 0.00 N ATOM 0 H GLN A 38 2.843 -13.122 5.838 1.00 0.00 H new ATOM 0 HA GLN A 38 5.612 -13.213 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.583 -13.852 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.650 -15.261 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.416 -16.255 5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.128 -14.723 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.765 -16.767 6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.469 -16.359 7.886 1.00 0.00 H new ATOM 533 N ILE A 39 4.988 -15.127 3.518 1.00 0.00 N ATOM 534 CA ILE A 39 4.645 -16.087 2.475 1.00 0.00 C ATOM 535 C ILE A 39 5.454 -17.337 2.792 1.00 0.00 C ATOM 536 O ILE A 39 6.638 -17.418 2.456 1.00 0.00 O ATOM 537 CB ILE A 39 4.914 -15.507 1.065 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.225 -14.135 0.905 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.444 -16.490 -0.022 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.484 -13.444 -0.430 1.00 0.00 C ATOM 0 H ILE A 39 5.939 -14.773 3.413 1.00 0.00 H new ATOM 0 HA ILE A 39 3.582 -16.326 2.461 1.00 0.00 H new ATOM 0 HB ILE A 39 5.988 -15.363 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.150 -14.267 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.560 -13.480 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.641 -16.065 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.983 -17.432 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.375 -16.670 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.961 -12.488 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.554 -13.275 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.122 -14.075 -1.242 1.00 0.00 H new ATOM 552 N LEU A 40 4.832 -18.258 3.524 1.00 0.00 N ATOM 553 CA LEU A 40 5.449 -19.493 3.985 1.00 0.00 C ATOM 554 C LEU A 40 5.673 -20.438 2.802 1.00 0.00 C ATOM 555 O LEU A 40 6.606 -21.237 2.833 1.00 0.00 O ATOM 556 CB LEU A 40 4.550 -20.167 5.042 1.00 0.00 C ATOM 557 CG LEU A 40 4.153 -19.279 6.240 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.109 -19.985 7.108 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.344 -18.894 7.121 1.00 0.00 C ATOM 0 H LEU A 40 3.860 -18.161 3.819 1.00 0.00 H new ATOM 0 HA LEU A 40 6.413 -19.262 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.640 -20.514 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.064 -21.050 5.421 1.00 0.00 H new ATOM 0 HG LEU A 40 3.742 -18.364 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.841 -19.344 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.220 -20.193 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.521 -20.922 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.000 -18.270 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.809 -19.796 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.072 -18.341 6.527 1.00 0.00 H new ATOM 571 N ASP A 41 4.845 -20.336 1.758 1.00 0.00 N ATOM 572 CA ASP A 41 4.800 -21.254 0.630 1.00 0.00 C ATOM 573 C ASP A 41 4.678 -20.466 -0.668 1.00 0.00 C ATOM 574 O ASP A 41 3.582 -20.123 -1.117 1.00 0.00 O ATOM 575 CB ASP A 41 3.620 -22.210 0.792 1.00 0.00 C ATOM 576 CG ASP A 41 3.625 -23.343 -0.234 1.00 0.00 C ATOM 577 OD1 ASP A 41 4.422 -23.311 -1.200 1.00 0.00 O ATOM 578 OD2 ASP A 41 2.888 -24.326 0.015 1.00 0.00 O ATOM 0 H ASP A 41 4.164 -19.581 1.678 1.00 0.00 H new ATOM 0 HA ASP A 41 5.720 -21.838 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.639 -22.636 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.690 -21.649 0.701 1.00 0.00 H new ATOM 583 N ILE A 42 5.823 -20.141 -1.257 1.00 0.00 N ATOM 584 CA ILE A 42 5.907 -19.359 -2.484 1.00 0.00 C ATOM 585 C ILE A 42 5.275 -20.125 -3.646 1.00 0.00 C ATOM 586 O ILE A 42 4.524 -19.541 -4.418 1.00 0.00 O ATOM 587 CB ILE A 42 7.380 -18.962 -2.704 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.682 -17.841 -1.686 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.673 -18.522 -4.150 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.157 -17.476 -1.546 1.00 0.00 C ATOM 0 H ILE A 42 6.733 -20.418 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 42 5.333 -18.435 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 42 8.030 -19.823 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.128 -16.948 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.305 -18.146 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.726 -18.255 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.445 -19.341 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.056 -17.659 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.267 -16.680 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.719 -18.352 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.540 -17.135 -2.508 1.00 0.00 H new ATOM 602 N GLN A 43 5.502 -21.432 -3.763 1.00 0.00 N ATOM 603 CA GLN A 43 4.839 -22.237 -4.782 1.00 0.00 C ATOM 604 C GLN A 43 3.342 -22.456 -4.500 1.00 0.00 C ATOM 605 O GLN A 43 2.652 -23.021 -5.349 1.00 0.00 O ATOM 606 CB GLN A 43 5.582 -23.564 -4.952 1.00 0.00 C ATOM 607 CG GLN A 43 6.822 -23.447 -5.856 1.00 0.00 C ATOM 608 CD GLN A 43 6.961 -24.661 -6.773 1.00 0.00 C ATOM 609 OE1 GLN A 43 6.997 -24.553 -7.993 1.00 0.00 O ATOM 610 NE2 GLN A 43 7.050 -25.863 -6.237 1.00 0.00 N ATOM 0 H GLN A 43 6.141 -21.955 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 43 4.878 -21.681 -5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.887 -23.932 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.901 -24.304 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.751 -22.541 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.716 -23.351 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.022 -25.973 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.147 -26.683 -6.836 1.00 0.00 H new ATOM 619 N GLY A 44 2.814 -22.013 -3.357 1.00 0.00 N ATOM 620 CA GLY A 44 1.381 -21.892 -3.129 1.00 0.00 C ATOM 621 C GLY A 44 0.870 -20.498 -3.502 1.00 0.00 C ATOM 622 O GLY A 44 -0.319 -20.338 -3.782 1.00 0.00 O ATOM 0 H GLY A 44 3.379 -21.726 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.853 -22.643 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.160 -22.093 -2.081 1.00 0.00 H new ATOM 626 N CYS A 45 1.740 -19.484 -3.504 1.00 0.00 N ATOM 627 CA CYS A 45 1.401 -18.091 -3.756 1.00 0.00 C ATOM 628 C CYS A 45 2.440 -17.463 -4.702 1.00 0.00 C ATOM 629 O CYS A 45 3.210 -16.605 -4.260 1.00 0.00 O ATOM 630 CB CYS A 45 1.312 -17.341 -2.418 1.00 0.00 C ATOM 631 SG CYS A 45 -0.100 -17.945 -1.473 1.00 0.00 S ATOM 0 H CYS A 45 2.734 -19.622 -3.323 1.00 0.00 H new ATOM 0 HA CYS A 45 0.430 -18.022 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.230 -17.484 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.211 -16.270 -2.597 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.454 -17.048 -0.601 1.00 0.00 H new ATOM 637 N PRO A 46 2.502 -17.892 -5.978 1.00 0.00 N ATOM 638 CA PRO A 46 3.571 -17.495 -6.881 1.00 0.00 C ATOM 639 C PRO A 46 3.614 -15.981 -7.076 1.00 0.00 C ATOM 640 O PRO A 46 2.589 -15.318 -7.250 1.00 0.00 O ATOM 641 CB PRO A 46 3.338 -18.255 -8.191 1.00 0.00 C ATOM 642 CG PRO A 46 1.877 -18.689 -8.117 1.00 0.00 C ATOM 643 CD PRO A 46 1.666 -18.893 -6.620 1.00 0.00 C ATOM 0 HA PRO A 46 4.548 -17.748 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.521 -17.620 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.005 -19.113 -8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.208 -17.930 -8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.697 -19.605 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.618 -18.764 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.952 -19.900 -6.315 1.00 0.00 H new ATOM 651 N GLY A 47 4.830 -15.437 -7.042 1.00 0.00 N ATOM 652 CA GLY A 47 5.124 -14.039 -7.314 1.00 0.00 C ATOM 653 C GLY A 47 4.655 -13.054 -6.246 1.00 0.00 C ATOM 654 O GLY A 47 5.025 -11.880 -6.331 1.00 0.00 O ATOM 0 H GLY A 47 5.663 -15.980 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.201 -13.929 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.664 -13.766 -8.264 1.00 0.00 H new ATOM 658 N LEU A 48 3.867 -13.488 -5.261 1.00 0.00 N ATOM 659 CA LEU A 48 3.318 -12.635 -4.216 1.00 0.00 C ATOM 660 C LEU A 48 4.479 -12.018 -3.412 1.00 0.00 C ATOM 661 O LEU A 48 5.532 -12.643 -3.261 1.00 0.00 O ATOM 662 CB LEU A 48 2.285 -13.472 -3.428 1.00 0.00 C ATOM 663 CG LEU A 48 1.282 -12.627 -2.625 1.00 0.00 C ATOM 664 CD1 LEU A 48 -0.021 -13.374 -2.353 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.654 -12.116 -1.264 1.00 0.00 C ATOM 0 H LEU A 48 3.589 -14.465 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 48 2.769 -11.771 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.736 -14.104 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.815 -14.136 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 48 1.226 -11.780 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.695 -12.734 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.490 -13.644 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.190 -14.278 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.824 -11.542 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.875 -12.957 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.533 -11.477 -1.343 1.00 0.00 H new ATOM 677 N CYS A 49 4.326 -10.776 -2.939 1.00 0.00 N ATOM 678 CA CYS A 49 5.381 -10.026 -2.258 1.00 0.00 C ATOM 679 C CYS A 49 5.068 -9.839 -0.777 1.00 0.00 C ATOM 680 O CYS A 49 3.916 -9.647 -0.401 1.00 0.00 O ATOM 681 CB CYS A 49 5.546 -8.644 -2.900 1.00 0.00 C ATOM 682 SG CYS A 49 6.124 -8.793 -4.612 1.00 0.00 S ATOM 0 H CYS A 49 3.451 -10.258 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 49 6.302 -10.601 -2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.595 -8.112 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.256 -8.052 -2.322 1.00 0.00 H new ATOM 0 HG CYS A 49 6.253 -7.608 -5.131 1.00 0.00 H new ATOM 688 N GLU A 50 6.095 -9.811 0.069 1.00 0.00 N ATOM 689 CA GLU A 50 5.943 -9.331 1.436 1.00 0.00 C ATOM 690 C GLU A 50 5.783 -7.807 1.411 1.00 0.00 C ATOM 691 O GLU A 50 6.276 -7.130 0.499 1.00 0.00 O ATOM 692 CB GLU A 50 7.137 -9.787 2.283 1.00 0.00 C ATOM 693 CG GLU A 50 7.036 -11.288 2.608 1.00 0.00 C ATOM 694 CD GLU A 50 8.415 -11.911 2.794 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.054 -12.225 1.756 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.871 -12.064 3.948 1.00 0.00 O ATOM 0 H GLU A 50 7.039 -10.115 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 50 5.050 -9.753 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.065 -9.588 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.173 -9.212 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.447 -11.427 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.509 -11.801 1.804 1.00 0.00 H new ATOM 703 N GLY A 51 5.064 -7.275 2.409 1.00 0.00 N ATOM 704 CA GLY A 51 4.622 -5.882 2.457 1.00 0.00 C ATOM 705 C GLY A 51 4.073 -5.414 1.110 1.00 0.00 C ATOM 706 O GLY A 51 4.407 -4.326 0.640 1.00 0.00 O ATOM 0 H GLY A 51 4.769 -7.817 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.853 -5.771 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.457 -5.246 2.750 1.00 0.00 H new ATOM 710 N ASP A 52 3.245 -6.253 0.491 1.00 0.00 N ATOM 711 CA ASP A 52 2.285 -5.916 -0.557 1.00 0.00 C ATOM 712 C ASP A 52 1.317 -4.826 -0.043 1.00 0.00 C ATOM 713 O ASP A 52 1.496 -4.271 1.050 1.00 0.00 O ATOM 714 CB ASP A 52 1.548 -7.201 -0.980 1.00 0.00 C ATOM 715 CG ASP A 52 0.519 -7.649 0.050 1.00 0.00 C ATOM 716 OD1 ASP A 52 0.777 -7.441 1.255 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.490 -8.252 -0.367 1.00 0.00 O ATOM 0 H ASP A 52 3.226 -7.246 0.722 1.00 0.00 H new ATOM 0 HA ASP A 52 2.790 -5.510 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.051 -7.033 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.275 -7.999 -1.134 1.00 0.00 H new ATOM 722 N LEU A 53 0.298 -4.451 -0.818 1.00 0.00 N ATOM 723 CA LEU A 53 -0.841 -3.710 -0.295 1.00 0.00 C ATOM 724 C LEU A 53 -2.065 -4.235 -1.010 1.00 0.00 C ATOM 725 O LEU A 53 -2.192 -3.956 -2.196 1.00 0.00 O ATOM 726 CB LEU A 53 -0.648 -2.201 -0.534 1.00 0.00 C ATOM 727 CG LEU A 53 -1.496 -1.250 0.330 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.799 -0.746 -0.283 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.809 -1.782 1.735 1.00 0.00 C ATOM 0 H LEU A 53 0.243 -4.652 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.948 -3.845 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.403 -1.962 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.864 -1.992 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.816 -0.400 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.302 -0.086 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.582 -0.198 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.445 -1.593 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.410 -1.050 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.362 -2.718 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.878 -1.956 2.274 1.00 0.00 H new ATOM 741 N ILE A 54 -2.884 -5.058 -0.362 1.00 0.00 N ATOM 742 CA ILE A 54 -4.011 -5.723 -1.009 1.00 0.00 C ATOM 743 C ILE A 54 -5.031 -4.652 -1.420 1.00 0.00 C ATOM 744 O ILE A 54 -5.398 -3.795 -0.613 1.00 0.00 O ATOM 745 CB ILE A 54 -4.601 -6.813 -0.078 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.521 -7.859 0.289 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.781 -7.529 -0.758 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.965 -8.997 1.215 1.00 0.00 C ATOM 0 H ILE A 54 -2.785 -5.283 0.628 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.694 -6.246 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.952 -6.320 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.141 -8.297 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.688 -7.339 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.180 -8.290 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.561 -6.804 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.438 -8.001 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.124 -9.665 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.313 -8.582 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.774 -9.555 0.744 1.00 0.00 H new ATOM 760 N VAL A 55 -5.490 -4.715 -2.671 1.00 0.00 N ATOM 761 CA VAL A 55 -6.460 -3.797 -3.256 1.00 0.00 C ATOM 762 C VAL A 55 -7.709 -4.562 -3.665 1.00 0.00 C ATOM 763 O VAL A 55 -8.821 -4.162 -3.300 1.00 0.00 O ATOM 764 CB VAL A 55 -5.818 -3.039 -4.438 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.857 -2.205 -5.196 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.691 -2.129 -3.937 1.00 0.00 C ATOM 0 H VAL A 55 -5.183 -5.434 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.762 -3.051 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.407 -3.780 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.373 -1.684 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.635 -2.861 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.303 -1.476 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.247 -1.601 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.095 -1.406 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.928 -2.732 -3.445 1.00 0.00 H new ATOM 776 N GLU A 56 -7.537 -5.654 -4.404 1.00 0.00 N ATOM 777 CA GLU A 56 -8.617 -6.488 -4.898 1.00 0.00 C ATOM 778 C GLU A 56 -8.220 -7.942 -4.694 1.00 0.00 C ATOM 779 O GLU A 56 -7.048 -8.301 -4.831 1.00 0.00 O ATOM 780 CB GLU A 56 -8.938 -6.149 -6.369 1.00 0.00 C ATOM 781 CG GLU A 56 -9.833 -4.905 -6.443 1.00 0.00 C ATOM 782 CD GLU A 56 -10.176 -4.422 -7.849 1.00 0.00 C ATOM 783 OE1 GLU A 56 -9.956 -5.154 -8.836 1.00 0.00 O ATOM 784 OE2 GLU A 56 -10.694 -3.285 -7.978 1.00 0.00 O ATOM 0 H GLU A 56 -6.614 -5.989 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.538 -6.301 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.014 -5.974 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.437 -6.994 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.762 -5.116 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.340 -4.092 -5.909 1.00 0.00 H new ATOM 791 N ILE A 57 -9.211 -8.764 -4.364 1.00 0.00 N ATOM 792 CA ILE A 57 -9.150 -10.212 -4.342 1.00 0.00 C ATOM 793 C ILE A 57 -10.355 -10.629 -5.157 1.00 0.00 C ATOM 794 O ILE A 57 -11.467 -10.215 -4.851 1.00 0.00 O ATOM 795 CB ILE A 57 -9.202 -10.761 -2.902 1.00 0.00 C ATOM 796 CG1 ILE A 57 -7.832 -10.563 -2.222 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.574 -12.257 -2.911 1.00 0.00 C ATOM 798 CD1 ILE A 57 -7.905 -10.483 -0.706 1.00 0.00 C ATOM 0 H ILE A 57 -10.128 -8.412 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.218 -10.605 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.964 -10.217 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.176 -11.387 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.376 -9.649 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.607 -12.630 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.552 -12.386 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.827 -12.814 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.903 -10.344 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.534 -9.642 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.330 -11.406 -0.313 1.00 0.00 H new ATOM 810 N ASN A 58 -10.134 -11.440 -6.182 1.00 0.00 N ATOM 811 CA ASN A 58 -11.148 -11.906 -7.118 1.00 0.00 C ATOM 812 C ASN A 58 -12.062 -10.756 -7.567 1.00 0.00 C ATOM 813 O ASN A 58 -13.279 -10.860 -7.426 1.00 0.00 O ATOM 814 CB ASN A 58 -11.967 -13.062 -6.520 1.00 0.00 C ATOM 815 CG ASN A 58 -11.195 -14.347 -6.290 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.197 -14.640 -6.950 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.664 -15.151 -5.353 1.00 0.00 N ATOM 0 H ASN A 58 -9.206 -11.806 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.633 -12.284 -8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.388 -12.734 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.805 -13.274 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.198 -16.038 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.492 -14.885 -4.820 1.00 0.00 H new ATOM 824 N GLN A 59 -11.482 -9.645 -8.041 1.00 0.00 N ATOM 825 CA GLN A 59 -12.129 -8.386 -8.440 1.00 0.00 C ATOM 826 C GLN A 59 -12.801 -7.611 -7.301 1.00 0.00 C ATOM 827 O GLN A 59 -12.971 -6.395 -7.408 1.00 0.00 O ATOM 828 CB GLN A 59 -13.162 -8.612 -9.557 1.00 0.00 C ATOM 829 CG GLN A 59 -12.573 -9.162 -10.855 1.00 0.00 C ATOM 830 CD GLN A 59 -13.724 -9.461 -11.799 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.393 -10.483 -11.650 1.00 0.00 O ATOM 832 NE2 GLN A 59 -14.021 -8.572 -12.726 1.00 0.00 N ATOM 0 H GLN A 59 -10.471 -9.599 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.302 -7.772 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.925 -9.302 -9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.662 -7.667 -9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.891 -8.438 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.995 -10.065 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.451 -7.733 -12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.821 -8.723 -13.340 1.00 0.00 H new ATOM 841 N GLN A 60 -13.187 -8.280 -6.221 1.00 0.00 N ATOM 842 CA GLN A 60 -13.850 -7.699 -5.079 1.00 0.00 C ATOM 843 C GLN A 60 -12.833 -6.820 -4.372 1.00 0.00 C ATOM 844 O GLN A 60 -11.667 -7.186 -4.209 1.00 0.00 O ATOM 845 CB GLN A 60 -14.408 -8.834 -4.219 1.00 0.00 C ATOM 846 CG GLN A 60 -14.826 -8.423 -2.808 1.00 0.00 C ATOM 847 CD GLN A 60 -15.613 -9.564 -2.162 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.725 -9.399 -1.682 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.096 -10.781 -2.183 1.00 0.00 N ATOM 0 H GLN A 60 -13.036 -9.284 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.700 -7.069 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.270 -9.266 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.655 -9.619 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.946 -8.188 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.436 -7.520 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.169 -10.935 -2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.624 -11.566 -1.802 1.00 0.00 H new ATOM 858 N ASN A 61 -13.277 -5.630 -3.986 1.00 0.00 N ATOM 859 CA ASN A 61 -12.396 -4.505 -3.748 1.00 0.00 C ATOM 860 C ASN A 61 -12.360 -4.199 -2.269 1.00 0.00 C ATOM 861 O ASN A 61 -13.394 -3.941 -1.653 1.00 0.00 O ATOM 862 CB ASN A 61 -12.886 -3.343 -4.600 1.00 0.00 C ATOM 863 CG ASN A 61 -12.050 -2.069 -4.511 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.565 -1.003 -4.827 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.773 -2.114 -4.158 1.00 0.00 N ATOM 0 H ASN A 61 -14.263 -5.422 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.367 -4.720 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.917 -3.665 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.910 -3.107 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.216 -1.260 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.347 -3.003 -3.896 1.00 0.00 H new ATOM 872 N VAL A 62 -11.166 -4.313 -1.698 1.00 0.00 N ATOM 873 CA VAL A 62 -10.971 -4.556 -0.284 1.00 0.00 C ATOM 874 C VAL A 62 -10.072 -3.507 0.372 1.00 0.00 C ATOM 875 O VAL A 62 -9.885 -3.564 1.584 1.00 0.00 O ATOM 876 CB VAL A 62 -10.498 -6.007 -0.074 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.541 -7.022 -0.572 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.166 -6.313 -0.767 1.00 0.00 C ATOM 0 H VAL A 62 -10.293 -4.237 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.925 -4.445 0.232 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.361 -6.104 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.171 -8.034 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.474 -6.883 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.718 -6.869 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.889 -7.350 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.269 -6.152 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.392 -5.654 -0.374 1.00 0.00 H new ATOM 888 N GLN A 63 -9.611 -2.490 -0.374 1.00 0.00 N ATOM 889 CA GLN A 63 -8.882 -1.332 0.157 1.00 0.00 C ATOM 890 C GLN A 63 -9.618 -0.632 1.316 1.00 0.00 C ATOM 891 O GLN A 63 -9.002 0.185 1.997 1.00 0.00 O ATOM 892 CB GLN A 63 -8.603 -0.317 -0.978 1.00 0.00 C ATOM 893 CG GLN A 63 -7.186 -0.427 -1.574 1.00 0.00 C ATOM 894 CD GLN A 63 -6.226 0.691 -1.153 1.00 0.00 C ATOM 895 OE1 GLN A 63 -5.568 1.324 -1.986 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.104 0.955 0.134 1.00 0.00 N ATOM 0 H GLN A 63 -9.739 -2.451 -1.385 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.944 -1.711 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.334 -0.464 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.749 0.693 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.757 -1.385 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.263 -0.431 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.650 0.429 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.464 1.685 0.446 1.00 0.00 H new ATOM 905 N ASN A 64 -10.911 -0.906 1.527 1.00 0.00 N ATOM 906 CA ASN A 64 -11.803 -0.309 2.499 1.00 0.00 C ATOM 907 C ASN A 64 -12.534 -1.356 3.362 1.00 0.00 C ATOM 908 O ASN A 64 -13.413 -0.974 4.140 1.00 0.00 O ATOM 909 CB ASN A 64 -12.779 0.620 1.755 1.00 0.00 C ATOM 910 CG ASN A 64 -13.339 0.069 0.447 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.890 0.455 -0.630 1.00 0.00 O ATOM 912 ND2 ASN A 64 -14.281 -0.857 0.488 1.00 0.00 N ATOM 0 H ASN A 64 -11.390 -1.613 0.969 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.215 0.273 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.612 0.850 2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.270 1.561 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.641 -1.257 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.648 -1.172 1.386 1.00 0.00 H new ATOM 919 N LEU A 65 -12.212 -2.653 3.264 1.00 0.00 N ATOM 920 CA LEU A 65 -12.739 -3.671 4.188 1.00 0.00 C ATOM 921 C LEU A 65 -11.804 -3.827 5.386 1.00 0.00 C ATOM 922 O LEU A 65 -10.632 -3.459 5.298 1.00 0.00 O ATOM 923 CB LEU A 65 -12.901 -5.030 3.489 1.00 0.00 C ATOM 924 CG LEU A 65 -13.962 -5.088 2.377 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.186 -6.555 2.008 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.309 -4.470 2.756 1.00 0.00 C ATOM 0 H LEU A 65 -11.586 -3.025 2.550 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.720 -3.336 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.939 -5.315 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.150 -5.777 4.242 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.577 -4.498 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.936 -6.621 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.250 -6.989 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.532 -7.102 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.997 -4.554 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.722 -4.997 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.169 -3.419 3.007 1.00 0.00 H new ATOM 938 N SER A 66 -12.299 -4.391 6.490 1.00 0.00 N ATOM 939 CA SER A 66 -11.487 -4.666 7.676 1.00 0.00 C ATOM 940 C SER A 66 -10.749 -5.991 7.532 1.00 0.00 C ATOM 941 O SER A 66 -11.147 -6.842 6.737 1.00 0.00 O ATOM 942 CB SER A 66 -12.384 -4.690 8.910 1.00 0.00 C ATOM 943 OG SER A 66 -12.969 -3.416 9.125 1.00 0.00 O ATOM 0 H SER A 66 -13.275 -4.670 6.586 1.00 0.00 H new ATOM 0 HA SER A 66 -10.743 -3.877 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.166 -5.439 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.802 -4.981 9.784 1.00 0.00 H new ATOM 0 HG SER A 66 -13.542 -3.449 9.919 1.00 0.00 H new ATOM 949 N HIS A 67 -9.719 -6.190 8.360 1.00 0.00 N ATOM 950 CA HIS A 67 -8.889 -7.390 8.348 1.00 0.00 C ATOM 951 C HIS A 67 -9.724 -8.661 8.357 1.00 0.00 C ATOM 952 O HIS A 67 -9.538 -9.519 7.499 1.00 0.00 O ATOM 953 CB HIS A 67 -7.884 -7.332 9.507 1.00 0.00 C ATOM 954 CG HIS A 67 -7.046 -8.575 9.675 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.803 -8.746 9.127 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.342 -9.703 10.396 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.345 -9.945 9.498 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.237 -10.573 10.290 1.00 0.00 N ATOM 0 H HIS A 67 -9.437 -5.510 9.066 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.327 -7.420 7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.221 -6.481 9.353 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.428 -7.149 10.433 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.312 -8.074 8.537 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.253 -9.891 10.944 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.390 -10.355 9.204 1.00 0.00 H new ATOM 966 N THR A 68 -10.662 -8.764 9.294 1.00 0.00 N ATOM 967 CA THR A 68 -11.488 -9.943 9.470 1.00 0.00 C ATOM 968 C THR A 68 -12.283 -10.254 8.202 1.00 0.00 C ATOM 969 O THR A 68 -12.450 -11.418 7.869 1.00 0.00 O ATOM 970 CB THR A 68 -12.423 -9.721 10.670 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.743 -9.078 11.737 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.935 -11.060 11.193 1.00 0.00 C ATOM 0 H THR A 68 -10.869 -8.018 9.959 1.00 0.00 H new ATOM 0 HA THR A 68 -10.849 -10.805 9.665 1.00 0.00 H new ATOM 0 HB THR A 68 -13.248 -9.097 10.326 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.360 -8.947 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.596 -10.890 12.043 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.484 -11.573 10.403 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.091 -11.675 11.507 1.00 0.00 H new ATOM 980 N GLU A 69 -12.730 -9.231 7.478 1.00 0.00 N ATOM 981 CA GLU A 69 -13.568 -9.406 6.304 1.00 0.00 C ATOM 982 C GLU A 69 -12.723 -9.917 5.147 1.00 0.00 C ATOM 983 O GLU A 69 -13.124 -10.833 4.433 1.00 0.00 O ATOM 984 CB GLU A 69 -14.256 -8.080 5.977 1.00 0.00 C ATOM 985 CG GLU A 69 -15.008 -7.572 7.210 1.00 0.00 C ATOM 986 CD GLU A 69 -16.048 -6.527 6.843 1.00 0.00 C ATOM 987 OE1 GLU A 69 -15.647 -5.430 6.391 1.00 0.00 O ATOM 988 OE2 GLU A 69 -17.248 -6.750 7.127 1.00 0.00 O ATOM 0 H GLU A 69 -12.518 -8.257 7.693 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.344 -10.147 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.517 -7.344 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.949 -8.214 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.494 -8.409 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.298 -7.146 7.919 1.00 0.00 H new ATOM 995 N VAL A 70 -11.501 -9.395 5.006 1.00 0.00 N ATOM 996 CA VAL A 70 -10.599 -9.816 3.952 1.00 0.00 C ATOM 997 C VAL A 70 -10.215 -11.277 4.199 1.00 0.00 C ATOM 998 O VAL A 70 -10.233 -12.081 3.264 1.00 0.00 O ATOM 999 CB VAL A 70 -9.418 -8.825 3.898 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.331 -9.227 2.891 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.967 -7.438 3.517 1.00 0.00 C ATOM 0 H VAL A 70 -11.120 -8.674 5.619 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.056 -9.791 2.963 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.949 -8.821 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.531 -8.487 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.927 -10.203 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.762 -9.277 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.147 -6.721 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.452 -7.494 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.691 -7.115 4.265 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.949 -11.636 5.458 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.735 -13.006 5.904 1.00 0.00 C ATOM 1013 C VAL A 71 -10.929 -13.872 5.543 1.00 0.00 C ATOM 1014 O VAL A 71 -10.730 -14.985 5.058 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.484 -13.019 7.431 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.524 -14.416 8.075 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.120 -12.413 7.718 1.00 0.00 C ATOM 0 H VAL A 71 -9.875 -10.956 6.215 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.860 -13.417 5.401 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.300 -12.443 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.338 -14.329 9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.504 -14.864 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.758 -15.047 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.938 -12.420 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.349 -12.997 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.093 -11.387 7.352 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.138 -13.392 5.809 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.339 -14.216 5.678 1.00 0.00 C ATOM 1029 C ASP A 72 -13.679 -14.487 4.223 1.00 0.00 C ATOM 1030 O ASP A 72 -13.999 -15.614 3.863 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.554 -13.656 6.429 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.156 -14.801 7.234 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -14.500 -15.232 8.209 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.224 -15.351 6.888 1.00 0.00 O ATOM 0 H ASP A 72 -12.315 -12.436 6.117 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.093 -15.164 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.256 -12.839 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.286 -13.252 5.729 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.503 -13.497 3.356 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.605 -13.646 1.910 1.00 0.00 C ATOM 1041 C ILE A 73 -12.582 -14.682 1.434 1.00 0.00 C ATOM 1042 O ILE A 73 -12.898 -15.560 0.630 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.387 -12.251 1.299 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.614 -11.364 1.587 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -13.072 -12.295 -0.206 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -14.296 -9.871 1.500 1.00 0.00 C ATOM 0 H ILE A 73 -13.280 -12.545 3.647 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.581 -14.015 1.594 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.506 -11.819 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.406 -11.605 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.997 -11.592 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.929 -11.280 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.163 -12.873 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.901 -12.763 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -15.196 -9.294 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.525 -9.620 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.940 -9.633 0.498 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.350 -14.605 1.942 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.312 -15.574 1.615 1.00 0.00 C ATOM 1060 C LEU A 74 -10.677 -16.967 2.155 1.00 0.00 C ATOM 1061 O LEU A 74 -10.374 -17.962 1.493 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.943 -15.074 2.113 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.380 -13.895 1.293 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.296 -13.160 2.088 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.812 -14.360 -0.056 1.00 0.00 C ATOM 0 H LEU A 74 -11.049 -13.874 2.586 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.239 -15.675 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.034 -14.770 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.231 -15.899 2.083 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.207 -13.213 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.909 -12.331 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.722 -12.776 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.484 -13.850 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.425 -13.501 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.006 -15.074 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.601 -14.836 -0.638 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.375 -17.084 3.295 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.927 -18.357 3.780 1.00 0.00 C ATOM 1079 C LYS A 75 -12.981 -18.869 2.805 1.00 0.00 C ATOM 1080 O LYS A 75 -12.964 -20.057 2.490 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.520 -18.239 5.196 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.459 -18.154 6.298 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.979 -17.568 7.619 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.155 -18.302 8.276 1.00 0.00 C ATOM 1085 NZ LYS A 75 -14.474 -17.910 7.735 1.00 0.00 N ATOM 0 H LYS A 75 -11.573 -16.294 3.909 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.104 -19.069 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.153 -17.353 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.161 -19.100 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.063 -19.152 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.629 -17.544 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.153 -17.542 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.278 -16.535 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.022 -19.376 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.140 -18.109 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.165 -18.663 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.788 -17.029 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.398 -17.762 6.708 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.834 -17.984 2.300 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.927 -18.288 1.382 1.00 0.00 C ATOM 1101 C ASP A 76 -14.431 -18.765 0.007 1.00 0.00 C ATOM 1102 O ASP A 76 -15.151 -19.463 -0.716 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.814 -17.041 1.277 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.248 -17.286 0.829 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.728 -18.443 0.819 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.912 -16.266 0.517 1.00 0.00 O ATOM 0 H ASP A 76 -13.780 -16.992 2.529 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.507 -19.124 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.836 -16.550 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.349 -16.345 0.579 1.00 0.00 H new ATOM 1111 N CYS A 77 -13.173 -18.459 -0.332 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.489 -18.950 -1.523 1.00 0.00 C ATOM 1113 C CYS A 77 -12.378 -20.481 -1.489 1.00 0.00 C ATOM 1114 O CYS A 77 -12.106 -21.070 -0.434 1.00 0.00 O ATOM 1115 CB CYS A 77 -11.093 -18.320 -1.625 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.832 -17.497 -3.213 1.00 0.00 S ATOM 0 H CYS A 77 -12.590 -17.844 0.235 1.00 0.00 H new ATOM 0 HA CYS A 77 -13.071 -18.666 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.961 -17.599 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.336 -19.093 -1.489 1.00 0.00 H new ATOM 0 HG CYS A 77 -10.379 -16.296 -3.010 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.505 -21.134 -2.649 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.354 -22.569 -2.804 1.00 0.00 C ATOM 1124 C PRO A 78 -10.909 -22.989 -2.610 1.00 0.00 C ATOM 1125 O PRO A 78 -9.966 -22.323 -3.039 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.862 -22.875 -4.214 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.668 -21.570 -4.982 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.679 -20.485 -3.933 1.00 0.00 C ATOM 0 HA PRO A 78 -12.916 -23.127 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.301 -23.691 -4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.909 -23.176 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.728 -21.574 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.465 -21.420 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.879 -19.766 -4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.617 -19.931 -3.961 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.740 -24.144 -1.977 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.479 -24.850 -1.976 1.00 0.00 C ATOM 1138 C ILE A 79 -9.203 -25.317 -3.415 1.00 0.00 C ATOM 1139 O ILE A 79 -10.126 -25.670 -4.156 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.546 -25.949 -0.899 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.450 -25.275 0.496 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.416 -26.977 -1.043 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.519 -26.227 1.698 1.00 0.00 C ATOM 0 H ILE A 79 -11.478 -24.612 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.622 -24.235 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.488 -26.484 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.513 -24.720 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.257 -24.547 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.508 -27.730 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.483 -27.457 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.453 -26.474 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.443 -25.653 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.467 -26.765 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.696 -26.940 1.645 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.920 -25.305 -3.793 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.406 -25.884 -5.027 1.00 0.00 C ATOM 1157 C GLY A 80 -7.654 -25.076 -6.295 1.00 0.00 C ATOM 1158 O GLY A 80 -7.177 -25.510 -7.345 1.00 0.00 O ATOM 0 H GLY A 80 -7.190 -24.876 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.331 -26.030 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.851 -26.871 -5.155 1.00 0.00 H new ATOM 1162 N SER A 81 -8.327 -23.925 -6.225 1.00 0.00 N ATOM 1163 CA SER A 81 -8.495 -23.033 -7.357 1.00 0.00 C ATOM 1164 C SER A 81 -7.554 -21.853 -7.153 1.00 0.00 C ATOM 1165 O SER A 81 -7.132 -21.552 -6.026 1.00 0.00 O ATOM 1166 CB SER A 81 -9.962 -22.576 -7.459 1.00 0.00 C ATOM 1167 OG SER A 81 -10.349 -22.443 -8.815 1.00 0.00 O ATOM 0 H SER A 81 -8.772 -23.590 -5.370 1.00 0.00 H new ATOM 0 HA SER A 81 -8.253 -23.537 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.609 -23.297 -6.960 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.089 -21.624 -6.944 1.00 0.00 H new ATOM 0 HG SER A 81 -11.284 -22.154 -8.861 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.232 -21.186 -8.252 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.547 -19.916 -8.253 1.00 0.00 C ATOM 1175 C GLU A 82 -7.400 -18.832 -7.594 1.00 0.00 C ATOM 1176 O GLU A 82 -8.632 -18.905 -7.590 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.163 -19.472 -9.671 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.118 -20.351 -10.360 1.00 0.00 C ATOM 1179 CD GLU A 82 -5.771 -21.414 -11.238 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -6.412 -22.343 -10.704 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -5.670 -21.274 -12.478 1.00 0.00 O ATOM 0 H GLU A 82 -7.449 -21.528 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.632 -20.054 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.063 -19.452 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.785 -18.451 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.462 -19.729 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.493 -20.833 -9.608 1.00 0.00 H new ATOM 1188 N THR A 83 -6.737 -17.818 -7.053 1.00 0.00 N ATOM 1189 CA THR A 83 -7.326 -16.587 -6.560 1.00 0.00 C ATOM 1190 C THR A 83 -6.593 -15.435 -7.257 1.00 0.00 C ATOM 1191 O THR A 83 -5.355 -15.403 -7.253 1.00 0.00 O ATOM 1192 CB THR A 83 -7.170 -16.560 -5.035 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.536 -17.791 -4.434 1.00 0.00 O ATOM 1194 CG2 THR A 83 -7.953 -15.437 -4.376 1.00 0.00 C ATOM 0 H THR A 83 -5.723 -17.836 -6.942 1.00 0.00 H new ATOM 0 HA THR A 83 -8.391 -16.501 -6.776 1.00 0.00 H new ATOM 0 HB THR A 83 -6.108 -16.382 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.456 -17.732 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.801 -15.472 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.606 -14.478 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.014 -15.555 -4.597 1.00 0.00 H new ATOM 1202 N SER A 84 -7.333 -14.509 -7.867 1.00 0.00 N ATOM 1203 CA SER A 84 -6.806 -13.329 -8.523 1.00 0.00 C ATOM 1204 C SER A 84 -6.541 -12.368 -7.383 1.00 0.00 C ATOM 1205 O SER A 84 -7.460 -12.133 -6.594 1.00 0.00 O ATOM 1206 CB SER A 84 -7.862 -12.724 -9.466 1.00 0.00 C ATOM 1207 OG SER A 84 -8.581 -13.705 -10.196 1.00 0.00 O ATOM 0 H SER A 84 -8.350 -14.569 -7.915 1.00 0.00 H new ATOM 0 HA SER A 84 -5.922 -13.545 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.563 -12.127 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.371 -12.046 -10.165 1.00 0.00 H new ATOM 0 HG SER A 84 -9.237 -13.265 -10.776 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.335 -11.827 -7.256 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.074 -10.782 -6.283 1.00 0.00 C ATOM 1215 C LEU A 85 -4.545 -9.565 -7.031 1.00 0.00 C ATOM 1216 O LEU A 85 -3.897 -9.712 -8.066 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.055 -11.247 -5.225 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.708 -11.642 -3.891 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.494 -12.956 -3.965 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.636 -11.752 -2.805 1.00 0.00 C ATOM 0 H LEU A 85 -4.526 -12.097 -7.815 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.995 -10.534 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.498 -12.098 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.335 -10.448 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.424 -10.857 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.929 -13.175 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.290 -12.863 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.823 -13.765 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.102 -12.032 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.907 -12.511 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.134 -10.791 -2.691 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.765 -8.370 -6.495 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.229 -7.130 -7.039 1.00 0.00 C ATOM 1234 C ILE A 86 -3.620 -6.377 -5.863 1.00 0.00 C ATOM 1235 O ILE A 86 -4.289 -6.216 -4.834 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.292 -6.313 -7.792 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.117 -7.224 -8.731 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.592 -5.209 -8.595 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.902 -6.492 -9.815 1.00 0.00 C ATOM 0 H ILE A 86 -5.330 -8.234 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.469 -7.331 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.979 -5.865 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.442 -7.934 -9.209 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.815 -7.805 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.337 -4.623 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.040 -4.559 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.901 -5.660 -9.307 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.447 -7.216 -10.421 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.607 -5.803 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.213 -5.934 -10.449 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.364 -5.943 -5.998 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.612 -5.268 -4.951 1.00 0.00 C ATOM 1253 C ILE A 87 -1.069 -3.926 -5.458 1.00 0.00 C ATOM 1254 O ILE A 87 -1.023 -3.699 -6.670 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.529 -6.209 -4.359 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.723 -6.414 -5.250 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.132 -7.582 -3.992 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.761 -5.286 -5.135 1.00 0.00 C ATOM 0 H ILE A 87 -1.834 -6.057 -6.862 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.276 -5.026 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.180 -5.692 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.196 -7.359 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.407 -6.499 -6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.353 -8.223 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.921 -7.447 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.549 -8.047 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.607 -5.502 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.306 -4.341 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.108 -5.214 -4.104 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.634 -3.049 -4.540 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.183 -1.701 -4.861 1.00 0.00 C ATOM 1272 C HIS A 88 1.338 -1.564 -4.645 1.00 0.00 C ATOM 1273 O HIS A 88 1.825 -1.770 -3.526 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.001 -0.721 -3.997 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.719 0.367 -4.762 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.970 0.868 -4.463 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.313 0.957 -5.929 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -3.322 1.710 -5.447 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.328 1.826 -6.345 1.00 0.00 N ATOM 0 H HIS A 88 -0.588 -3.266 -3.544 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.350 -1.472 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.737 -1.290 -3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.332 -0.254 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.376 0.783 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.271 2.223 -5.509 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.316 2.429 -7.168 1.00 0.00 H new ATOM 1287 N ARG A 89 2.094 -1.254 -5.708 1.00 0.00 N ATOM 1288 CA ARG A 89 3.538 -0.971 -5.713 1.00 0.00 C ATOM 1289 C ARG A 89 3.904 -0.200 -6.996 1.00 0.00 C ATOM 1290 O ARG A 89 4.280 -0.790 -8.009 1.00 0.00 O ATOM 1291 CB ARG A 89 4.345 -2.285 -5.578 1.00 0.00 C ATOM 1292 CG ARG A 89 5.351 -2.253 -4.424 1.00 0.00 C ATOM 1293 CD ARG A 89 5.864 -3.675 -4.164 1.00 0.00 C ATOM 1294 NE ARG A 89 6.898 -3.697 -3.120 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.966 -4.480 -2.036 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.948 -5.268 -1.711 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.059 -4.456 -1.281 1.00 0.00 N ATOM 0 H ARG A 89 1.691 -1.190 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 89 3.795 -0.347 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.655 -3.115 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.876 -2.476 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 89 6.183 -1.592 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.880 -1.853 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.032 -4.313 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.269 -4.090 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 89 7.661 -3.031 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.107 -5.279 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.007 -5.862 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.837 -3.845 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.120 -5.049 -0.453 1.00 0.00 H new ATOM 1311 N GLY A 90 3.803 1.127 -6.973 1.00 0.00 N ATOM 1312 CA GLY A 90 4.158 1.966 -8.117 1.00 0.00 C ATOM 1313 C GLY A 90 3.900 3.428 -7.779 1.00 0.00 C ATOM 1314 O GLY A 90 3.119 4.110 -8.447 1.00 0.00 O ATOM 0 H GLY A 90 3.473 1.651 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.207 1.822 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.573 1.675 -8.989 1.00 0.00 H new ATOM 1318 N SER A 91 4.520 3.896 -6.697 1.00 0.00 N ATOM 1319 CA SER A 91 4.122 5.095 -5.967 1.00 0.00 C ATOM 1320 C SER A 91 5.271 6.093 -5.789 1.00 0.00 C ATOM 1321 O SER A 91 5.221 6.929 -4.884 1.00 0.00 O ATOM 1322 CB SER A 91 3.478 4.668 -4.637 1.00 0.00 C ATOM 1323 OG SER A 91 4.136 3.553 -4.051 1.00 0.00 O ATOM 0 H SER A 91 5.337 3.437 -6.294 1.00 0.00 H new ATOM 0 HA SER A 91 3.384 5.642 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.499 5.506 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.430 4.420 -4.807 1.00 0.00 H new ATOM 0 HG SER A 91 3.694 3.318 -3.208 1.00 0.00 H new ATOM 1329 N GLY A 92 6.320 6.018 -6.613 1.00 0.00 N ATOM 1330 CA GLY A 92 7.545 6.783 -6.404 1.00 0.00 C ATOM 1331 C GLY A 92 8.731 5.838 -6.267 1.00 0.00 C ATOM 1332 O GLY A 92 8.641 4.682 -6.688 1.00 0.00 O ATOM 0 H GLY A 92 6.340 5.425 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.706 7.463 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.452 7.396 -5.508 1.00 0.00 H new ATOM 1336 N PRO A 93 9.857 6.292 -5.696 1.00 0.00 N ATOM 1337 CA PRO A 93 10.957 5.399 -5.361 1.00 0.00 C ATOM 1338 C PRO A 93 10.506 4.374 -4.313 1.00 0.00 C ATOM 1339 O PRO A 93 9.565 4.623 -3.548 1.00 0.00 O ATOM 1340 CB PRO A 93 12.058 6.312 -4.826 1.00 0.00 C ATOM 1341 CG PRO A 93 11.307 7.523 -4.277 1.00 0.00 C ATOM 1342 CD PRO A 93 10.107 7.643 -5.209 1.00 0.00 C ATOM 0 HA PRO A 93 11.307 4.821 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.641 5.819 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.755 6.599 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.999 7.371 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.923 8.422 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.238 8.037 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.316 8.325 -6.033 1.00 0.00 H new ATOM 1350 N SER A 94 11.222 3.258 -4.212 1.00 0.00 N ATOM 1351 CA SER A 94 10.972 2.189 -3.256 1.00 0.00 C ATOM 1352 C SER A 94 12.315 1.817 -2.628 1.00 0.00 C ATOM 1353 O SER A 94 13.239 1.420 -3.336 1.00 0.00 O ATOM 1354 CB SER A 94 10.296 1.008 -3.964 1.00 0.00 C ATOM 1355 OG SER A 94 9.072 1.419 -4.556 1.00 0.00 O ATOM 0 H SER A 94 12.021 3.068 -4.817 1.00 0.00 H new ATOM 0 HA SER A 94 10.290 2.501 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.960 0.606 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.110 0.206 -3.250 1.00 0.00 H new ATOM 0 HG SER A 94 8.653 0.655 -5.005 1.00 0.00 H new ATOM 1361 N SER A 95 12.447 2.010 -1.316 1.00 0.00 N ATOM 1362 CA SER A 95 13.653 1.745 -0.536 1.00 0.00 C ATOM 1363 C SER A 95 13.256 1.214 0.840 1.00 0.00 C ATOM 1364 O SER A 95 12.062 1.166 1.163 1.00 0.00 O ATOM 1365 CB SER A 95 14.476 3.028 -0.389 1.00 0.00 C ATOM 1366 OG SER A 95 14.886 3.510 -1.645 1.00 0.00 O ATOM 0 H SER A 95 11.683 2.371 -0.744 1.00 0.00 H new ATOM 0 HA SER A 95 14.261 1.000 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.884 3.788 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.350 2.835 0.233 1.00 0.00 H new ATOM 0 HG SER A 95 15.408 4.331 -1.526 1.00 0.00 H new ATOM 1372 N GLY A 96 14.238 0.836 1.660 1.00 0.00 N ATOM 1373 CA GLY A 96 14.014 0.130 2.912 1.00 0.00 C ATOM 1374 C GLY A 96 13.681 -1.307 2.582 1.00 0.00 C ATOM 1375 O GLY A 96 14.557 -1.981 2.009 1.00 0.00 O ATOM 0 H GLY A 96 15.223 1.017 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.902 0.181 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.200 0.592 3.470 1.00 0.00 H new TER 1379 GLY A 96