USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 13 THR OG1 : rot 127:sc= 0.183 USER MOD Set 1.2: A 16 GLN : amide:sc= -1.4! C(o=-1.2!,f=-8.2!) USER MOD Single : A 18 GLN : amide:sc= 0.0431 X(o=0.043,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 22 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 77:sc= 1.06 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.043 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 26 ASN : amide:sc= -2.42! C(o=-2.4!,f=-9.6!) USER MOD Single : A 28 THR OG1 : rot 139:sc= -1.39! USER MOD Single : A 33 GLN : amide:sc= -0.799 K(o=-0.8,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 44 THR OG1 : rot 147:sc= 1.19 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.503! X(o=0.5!,f=0.38) USER MOD Single : A 64 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 66 TYR OH : rot -174:sc= -0.311 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.071 4.105 4.661 1.00 0.00 N ATOM 2 CA GLY A 10 9.765 4.518 5.113 1.00 0.00 C ATOM 3 C GLY A 10 8.879 4.922 3.955 1.00 0.00 C ATOM 4 O GLY A 10 7.935 4.213 3.622 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.296 3.704 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.866 5.355 5.804 1.00 0.00 H new ATOM 8 N PRO A 11 9.147 6.066 3.316 1.00 0.00 N ATOM 9 CA PRO A 11 8.438 6.452 2.111 1.00 0.00 C ATOM 10 C PRO A 11 8.938 5.670 0.911 1.00 0.00 C ATOM 11 O PRO A 11 10.141 5.572 0.663 1.00 0.00 O ATOM 12 CB PRO A 11 8.739 7.938 1.941 1.00 0.00 C ATOM 13 CG PRO A 11 9.564 8.337 3.128 1.00 0.00 C ATOM 14 CD PRO A 11 10.136 7.072 3.705 1.00 0.00 C ATOM 0 HA PRO A 11 7.370 6.250 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.279 8.122 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.818 8.519 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.359 9.022 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.953 8.857 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.122 6.850 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.246 7.134 4.788 1.00 0.00 H new ATOM 22 N PHE A 12 8.007 5.137 0.164 1.00 0.00 N ATOM 23 CA PHE A 12 8.325 4.236 -0.936 1.00 0.00 C ATOM 24 C PHE A 12 8.322 4.956 -2.270 1.00 0.00 C ATOM 25 O PHE A 12 8.288 6.184 -2.336 1.00 0.00 O ATOM 26 CB PHE A 12 7.339 3.063 -0.961 1.00 0.00 C ATOM 27 CG PHE A 12 5.892 3.457 -0.818 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.141 3.817 -1.925 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.281 3.450 0.426 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.808 4.164 -1.789 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.954 3.794 0.564 1.00 0.00 C ATOM 32 CZ PHE A 12 3.219 4.151 -0.543 1.00 0.00 C ATOM 0 H PHE A 12 7.010 5.308 0.292 1.00 0.00 H new ATOM 0 HA PHE A 12 9.332 3.853 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.463 2.521 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.595 2.373 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.600 3.827 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.853 3.171 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.231 4.444 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.491 3.783 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.179 4.421 -0.435 1.00 0.00 H new ATOM 42 N THR A 13 8.387 4.173 -3.325 1.00 0.00 N ATOM 43 CA THR A 13 8.382 4.692 -4.668 1.00 0.00 C ATOM 44 C THR A 13 7.225 4.081 -5.441 1.00 0.00 C ATOM 45 O THR A 13 6.746 3.005 -5.081 1.00 0.00 O ATOM 46 CB THR A 13 9.701 4.353 -5.373 1.00 0.00 C ATOM 47 OG1 THR A 13 10.730 4.119 -4.401 1.00 0.00 O ATOM 48 CG2 THR A 13 10.117 5.486 -6.280 1.00 0.00 C ATOM 0 H THR A 13 8.445 3.156 -3.271 1.00 0.00 H new ATOM 0 HA THR A 13 8.269 5.775 -4.629 1.00 0.00 H new ATOM 0 HB THR A 13 9.553 3.453 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.150 3.251 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.055 5.231 -6.774 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.345 5.653 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.252 6.393 -5.691 1.00 0.00 H new ATOM 56 N ARG A 14 6.774 4.762 -6.489 1.00 0.00 N ATOM 57 CA ARG A 14 5.682 4.262 -7.320 1.00 0.00 C ATOM 58 C ARG A 14 6.018 2.882 -7.867 1.00 0.00 C ATOM 59 O ARG A 14 5.195 1.967 -7.845 1.00 0.00 O ATOM 60 CB ARG A 14 5.430 5.220 -8.478 1.00 0.00 C ATOM 61 CG ARG A 14 4.129 4.953 -9.214 1.00 0.00 C ATOM 62 CD ARG A 14 3.841 6.026 -10.249 1.00 0.00 C ATOM 63 NE ARG A 14 2.613 5.747 -10.988 1.00 0.00 N ATOM 64 CZ ARG A 14 1.487 6.445 -10.856 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.428 7.464 -10.006 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.419 6.128 -11.578 1.00 0.00 N ATOM 0 H ARG A 14 7.148 5.664 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 14 4.785 4.190 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.420 6.242 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.258 5.150 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.180 3.980 -9.703 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.308 4.908 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.757 6.994 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.677 6.094 -10.945 1.00 0.00 H new ATOM 0 HE ARG A 14 2.618 4.968 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.247 7.714 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.564 7.997 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.460 5.349 -12.235 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.443 6.664 -11.476 1.00 0.00 H new ATOM 80 N ARG A 15 7.235 2.762 -8.371 1.00 0.00 N ATOM 81 CA ARG A 15 7.761 1.491 -8.868 1.00 0.00 C ATOM 82 C ARG A 15 7.624 0.397 -7.813 1.00 0.00 C ATOM 83 O ARG A 15 6.973 -0.628 -8.036 1.00 0.00 O ATOM 84 CB ARG A 15 9.234 1.651 -9.238 1.00 0.00 C ATOM 85 CG ARG A 15 9.802 0.498 -10.048 1.00 0.00 C ATOM 86 CD ARG A 15 11.299 0.659 -10.248 1.00 0.00 C ATOM 87 NE ARG A 15 11.652 2.015 -10.661 1.00 0.00 N ATOM 88 CZ ARG A 15 12.859 2.550 -10.500 1.00 0.00 C ATOM 89 NH1 ARG A 15 13.856 1.824 -10.009 1.00 0.00 N ATOM 90 NH2 ARG A 15 13.078 3.810 -10.842 1.00 0.00 N ATOM 0 H ARG A 15 7.890 3.540 -8.449 1.00 0.00 H new ATOM 0 HA ARG A 15 7.186 1.204 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.356 2.574 -9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.817 1.760 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.599 -0.444 -9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.305 0.450 -11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.817 0.416 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.643 -0.051 -11.001 1.00 0.00 H new ATOM 0 HE ARG A 15 10.929 2.586 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.699 0.849 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.779 2.241 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.320 4.372 -11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.004 4.219 -10.718 1.00 0.00 H new ATOM 104 N GLN A 16 8.247 0.628 -6.662 1.00 0.00 N ATOM 105 CA GLN A 16 8.227 -0.326 -5.561 1.00 0.00 C ATOM 106 C GLN A 16 6.801 -0.647 -5.127 1.00 0.00 C ATOM 107 O GLN A 16 6.471 -1.807 -4.915 1.00 0.00 O ATOM 108 CB GLN A 16 9.032 0.198 -4.366 1.00 0.00 C ATOM 109 CG GLN A 16 10.530 -0.071 -4.457 1.00 0.00 C ATOM 110 CD GLN A 16 11.206 0.636 -5.618 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.781 1.708 -6.044 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.260 0.034 -6.138 1.00 0.00 N ATOM 0 H GLN A 16 8.777 1.477 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 16 8.690 -1.244 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.872 1.272 -4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.647 -0.258 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.004 0.242 -3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.693 -1.145 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.580 -0.855 -5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.754 0.458 -6.923 1.00 0.00 H new ATOM 121 N ALA A 17 5.963 0.379 -5.012 1.00 0.00 N ATOM 122 CA ALA A 17 4.563 0.200 -4.612 1.00 0.00 C ATOM 123 C ALA A 17 3.863 -0.823 -5.503 1.00 0.00 C ATOM 124 O ALA A 17 3.176 -1.731 -5.020 1.00 0.00 O ATOM 125 CB ALA A 17 3.831 1.534 -4.668 1.00 0.00 C ATOM 0 H ALA A 17 6.226 1.348 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 17 4.546 -0.176 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.792 1.392 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.310 2.241 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.866 1.926 -5.685 1.00 0.00 H new ATOM 131 N GLN A 18 4.072 -0.686 -6.804 1.00 0.00 N ATOM 132 CA GLN A 18 3.494 -1.589 -7.783 1.00 0.00 C ATOM 133 C GLN A 18 3.956 -3.020 -7.542 1.00 0.00 C ATOM 134 O GLN A 18 3.190 -3.967 -7.706 1.00 0.00 O ATOM 135 CB GLN A 18 3.887 -1.139 -9.181 1.00 0.00 C ATOM 136 CG GLN A 18 3.194 0.138 -9.618 1.00 0.00 C ATOM 137 CD GLN A 18 3.767 0.703 -10.900 1.00 0.00 C ATOM 138 OE1 GLN A 18 3.306 0.389 -11.995 1.00 0.00 O ATOM 139 NE2 GLN A 18 4.786 1.536 -10.767 1.00 0.00 N ATOM 0 H GLN A 18 4.646 0.054 -7.208 1.00 0.00 H new ATOM 0 HA GLN A 18 2.409 -1.564 -7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.966 -0.989 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.652 -1.933 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.131 -0.059 -9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.280 0.883 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.136 1.769 -9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.221 1.945 -11.594 1.00 0.00 H new ATOM 148 N ALA A 19 5.207 -3.166 -7.135 1.00 0.00 N ATOM 149 CA ALA A 19 5.764 -4.474 -6.818 1.00 0.00 C ATOM 150 C ALA A 19 5.127 -5.049 -5.555 1.00 0.00 C ATOM 151 O ALA A 19 5.072 -6.268 -5.375 1.00 0.00 O ATOM 152 CB ALA A 19 7.277 -4.390 -6.660 1.00 0.00 C ATOM 0 H ALA A 19 5.860 -2.391 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 19 5.539 -5.144 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.673 -5.377 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.721 -4.034 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.521 -3.698 -5.854 1.00 0.00 H new ATOM 158 N VAL A 20 4.609 -4.175 -4.696 1.00 0.00 N ATOM 159 CA VAL A 20 4.003 -4.620 -3.454 1.00 0.00 C ATOM 160 C VAL A 20 2.562 -5.020 -3.726 1.00 0.00 C ATOM 161 O VAL A 20 1.960 -5.772 -2.968 1.00 0.00 O ATOM 162 CB VAL A 20 4.040 -3.541 -2.345 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.829 -4.168 -0.976 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.344 -2.765 -2.366 1.00 0.00 C ATOM 0 H VAL A 20 4.598 -3.165 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 20 4.583 -5.468 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 20 3.227 -2.843 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.859 -3.391 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.860 -4.666 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.617 -4.896 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.335 -2.016 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.177 -3.450 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.458 -2.271 -3.331 1.00 0.00 H new ATOM 174 N THR A 21 2.033 -4.548 -4.851 1.00 0.00 N ATOM 175 CA THR A 21 0.680 -4.896 -5.259 1.00 0.00 C ATOM 176 C THR A 21 0.752 -6.128 -6.122 1.00 0.00 C ATOM 177 O THR A 21 -0.150 -6.965 -6.146 1.00 0.00 O ATOM 178 CB THR A 21 0.004 -3.769 -6.049 1.00 0.00 C ATOM 179 OG1 THR A 21 0.902 -2.661 -6.192 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.254 -3.321 -5.342 1.00 0.00 C ATOM 0 H THR A 21 2.521 -3.925 -5.494 1.00 0.00 H new ATOM 0 HA THR A 21 0.085 -5.069 -4.363 1.00 0.00 H new ATOM 0 HB THR A 21 -0.259 -4.144 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.462 -1.947 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.726 -2.520 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.943 -4.161 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.002 -2.957 -4.346 1.00 0.00 H new ATOM 188 N THR A 22 1.857 -6.208 -6.838 1.00 0.00 N ATOM 189 CA THR A 22 2.244 -7.402 -7.539 1.00 0.00 C ATOM 190 C THR A 22 2.332 -8.565 -6.553 1.00 0.00 C ATOM 191 O THR A 22 1.995 -9.707 -6.874 1.00 0.00 O ATOM 192 CB THR A 22 3.603 -7.173 -8.224 1.00 0.00 C ATOM 193 OG1 THR A 22 3.493 -6.134 -9.207 1.00 0.00 O ATOM 194 CG2 THR A 22 4.112 -8.433 -8.874 1.00 0.00 C ATOM 0 H THR A 22 2.513 -5.434 -6.946 1.00 0.00 H new ATOM 0 HA THR A 22 1.502 -7.643 -8.300 1.00 0.00 H new ATOM 0 HB THR A 22 4.315 -6.874 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.422 -5.266 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.073 -8.235 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.233 -9.209 -8.118 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.398 -8.768 -9.627 1.00 0.00 H new ATOM 202 N THR A 23 2.754 -8.249 -5.338 1.00 0.00 N ATOM 203 CA THR A 23 2.849 -9.233 -4.282 1.00 0.00 C ATOM 204 C THR A 23 1.528 -9.373 -3.518 1.00 0.00 C ATOM 205 O THR A 23 1.046 -10.488 -3.319 1.00 0.00 O ATOM 206 CB THR A 23 3.990 -8.870 -3.319 1.00 0.00 C ATOM 207 OG1 THR A 23 5.205 -8.745 -4.065 1.00 0.00 O ATOM 208 CG2 THR A 23 4.167 -9.925 -2.240 1.00 0.00 C ATOM 0 H THR A 23 3.037 -7.309 -5.062 1.00 0.00 H new ATOM 0 HA THR A 23 3.065 -10.197 -4.744 1.00 0.00 H new ATOM 0 HB THR A 23 3.741 -7.928 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.207 -7.891 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.982 -9.635 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.246 -10.014 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.400 -10.884 -2.703 1.00 0.00 H new ATOM 216 N TYR A 24 0.939 -8.255 -3.091 1.00 0.00 N ATOM 217 CA TYR A 24 -0.299 -8.296 -2.339 1.00 0.00 C ATOM 218 C TYR A 24 -1.401 -7.561 -3.092 1.00 0.00 C ATOM 219 O TYR A 24 -1.379 -6.338 -3.212 1.00 0.00 O ATOM 220 CB TYR A 24 -0.083 -7.676 -0.958 1.00 0.00 C ATOM 221 CG TYR A 24 1.031 -8.327 -0.173 1.00 0.00 C ATOM 222 CD1 TYR A 24 0.899 -9.618 0.314 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.223 -7.656 0.063 1.00 0.00 C ATOM 224 CE1 TYR A 24 1.921 -10.225 1.015 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.251 -8.254 0.767 1.00 0.00 C ATOM 226 CZ TYR A 24 3.095 -9.540 1.239 1.00 0.00 C ATOM 227 OH TYR A 24 4.120 -10.144 1.928 1.00 0.00 O ATOM 0 H TYR A 24 1.304 -7.317 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.608 -9.334 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.138 -6.615 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.009 -7.748 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.020 -10.158 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.349 -6.650 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.801 -11.232 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.171 -7.717 0.946 1.00 0.00 H new ATOM 0 HH TYR A 24 4.876 -9.525 1.998 1.00 0.00 H new ATOM 237 N SER A 25 -2.364 -8.317 -3.602 1.00 0.00 N ATOM 238 CA SER A 25 -3.456 -7.761 -4.383 1.00 0.00 C ATOM 239 C SER A 25 -4.520 -7.124 -3.491 1.00 0.00 C ATOM 240 O SER A 25 -5.534 -6.613 -3.974 1.00 0.00 O ATOM 241 CB SER A 25 -4.070 -8.864 -5.239 1.00 0.00 C ATOM 242 OG SER A 25 -4.303 -10.033 -4.465 1.00 0.00 O ATOM 0 H SER A 25 -2.409 -9.329 -3.485 1.00 0.00 H new ATOM 0 HA SER A 25 -3.059 -6.974 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.008 -8.516 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.404 -9.099 -6.070 1.00 0.00 H new ATOM 0 HG SER A 25 -4.699 -10.727 -5.032 1.00 0.00 H new ATOM 248 N ASN A 26 -4.291 -7.161 -2.189 1.00 0.00 N ATOM 249 CA ASN A 26 -5.180 -6.504 -1.247 1.00 0.00 C ATOM 250 C ASN A 26 -4.826 -5.028 -1.154 1.00 0.00 C ATOM 251 O ASN A 26 -5.632 -4.213 -0.715 1.00 0.00 O ATOM 252 CB ASN A 26 -5.100 -7.140 0.143 1.00 0.00 C ATOM 253 CG ASN A 26 -3.737 -6.975 0.791 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.708 -7.047 0.129 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.721 -6.730 2.087 1.00 0.00 N ATOM 0 H ASN A 26 -3.498 -7.639 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.200 -6.621 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.859 -6.693 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.333 -8.202 0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.833 -6.594 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.597 -6.677 2.607 1.00 0.00 H new ATOM 262 N ILE A 27 -3.611 -4.698 -1.567 1.00 0.00 N ATOM 263 CA ILE A 27 -3.168 -3.316 -1.589 1.00 0.00 C ATOM 264 C ILE A 27 -3.774 -2.621 -2.803 1.00 0.00 C ATOM 265 O ILE A 27 -4.053 -3.273 -3.811 1.00 0.00 O ATOM 266 CB ILE A 27 -1.626 -3.201 -1.664 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.935 -4.342 -0.905 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.171 -1.843 -1.142 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.513 -4.064 -0.570 1.00 0.00 C ATOM 0 H ILE A 27 -2.916 -5.370 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.496 -2.845 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.334 -3.287 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.481 -4.535 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.991 -5.251 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.085 -1.776 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.616 -1.053 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.486 -1.728 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.933 -4.916 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.075 -3.901 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.577 -3.174 0.056 1.00 0.00 H new ATOM 281 N THR A 28 -3.993 -1.317 -2.719 1.00 0.00 N ATOM 282 CA THR A 28 -4.561 -0.581 -3.840 1.00 0.00 C ATOM 283 C THR A 28 -3.864 0.758 -4.026 1.00 0.00 C ATOM 284 O THR A 28 -3.719 1.532 -3.080 1.00 0.00 O ATOM 285 CB THR A 28 -6.082 -0.344 -3.678 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.375 0.161 -2.370 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.870 -1.624 -3.924 1.00 0.00 C ATOM 0 H THR A 28 -3.789 -0.751 -1.895 1.00 0.00 H new ATOM 0 HA THR A 28 -4.403 -1.201 -4.723 1.00 0.00 H new ATOM 0 HB THR A 28 -6.382 0.393 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.051 0.867 -2.436 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.935 -1.425 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.680 -1.979 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.560 -2.386 -3.209 1.00 0.00 H new ATOM 295 N LEU A 29 -3.416 1.014 -5.248 1.00 0.00 N ATOM 296 CA LEU A 29 -2.820 2.293 -5.583 1.00 0.00 C ATOM 297 C LEU A 29 -3.928 3.251 -5.983 1.00 0.00 C ATOM 298 O LEU A 29 -4.484 3.156 -7.079 1.00 0.00 O ATOM 299 CB LEU A 29 -1.789 2.128 -6.712 1.00 0.00 C ATOM 300 CG LEU A 29 -0.819 3.300 -6.913 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.384 2.844 -7.720 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.494 4.469 -7.616 1.00 0.00 C ATOM 0 H LEU A 29 -3.456 0.350 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.291 2.696 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.205 1.229 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.326 1.962 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.495 3.638 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.068 3.681 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.896 2.042 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.053 2.481 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.778 5.281 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.853 4.147 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.335 4.817 -7.017 1.00 0.00 H new ATOM 314 N GLU A 30 -4.270 4.148 -5.076 1.00 0.00 N ATOM 315 CA GLU A 30 -5.366 5.070 -5.295 1.00 0.00 C ATOM 316 C GLU A 30 -4.890 6.513 -5.200 1.00 0.00 C ATOM 317 O GLU A 30 -3.726 6.771 -4.866 1.00 0.00 O ATOM 318 CB GLU A 30 -6.490 4.802 -4.291 1.00 0.00 C ATOM 319 CG GLU A 30 -7.162 3.452 -4.489 1.00 0.00 C ATOM 320 CD GLU A 30 -8.262 3.190 -3.481 1.00 0.00 C ATOM 321 OE1 GLU A 30 -9.201 4.011 -3.393 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.199 2.161 -2.779 1.00 0.00 O ATOM 0 H GLU A 30 -3.801 4.257 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.754 4.912 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.085 4.854 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.239 5.589 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.578 3.403 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.413 2.664 -4.415 1.00 0.00 H new ATOM 329 N ASP A 31 -5.805 7.434 -5.509 1.00 0.00 N ATOM 330 CA ASP A 31 -5.539 8.875 -5.546 1.00 0.00 C ATOM 331 C ASP A 31 -4.795 9.241 -6.824 1.00 0.00 C ATOM 332 O ASP A 31 -5.320 9.960 -7.677 1.00 0.00 O ATOM 333 CB ASP A 31 -4.758 9.352 -4.315 1.00 0.00 C ATOM 334 CG ASP A 31 -4.518 10.850 -4.326 1.00 0.00 C ATOM 335 OD1 ASP A 31 -3.562 11.298 -4.987 1.00 0.00 O ATOM 336 OD2 ASP A 31 -5.279 11.581 -3.657 1.00 0.00 O ATOM 0 H ASP A 31 -6.768 7.196 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.502 9.385 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.307 9.081 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.800 8.834 -4.273 1.00 0.00 H new ATOM 341 N ASP A 32 -3.596 8.686 -6.942 1.00 0.00 N ATOM 342 CA ASP A 32 -2.675 8.927 -8.055 1.00 0.00 C ATOM 343 C ASP A 32 -2.674 10.379 -8.524 1.00 0.00 C ATOM 344 O ASP A 32 -3.301 10.735 -9.528 1.00 0.00 O ATOM 345 CB ASP A 32 -2.953 7.994 -9.234 1.00 0.00 C ATOM 346 CG ASP A 32 -1.861 8.063 -10.290 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.850 8.770 -10.076 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.991 7.393 -11.335 1.00 0.00 O ATOM 0 H ASP A 32 -3.223 8.037 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.681 8.710 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.042 6.970 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.910 8.257 -9.685 1.00 0.00 H new ATOM 353 N GLN A 33 -1.983 11.214 -7.776 1.00 0.00 N ATOM 354 CA GLN A 33 -1.713 12.576 -8.187 1.00 0.00 C ATOM 355 C GLN A 33 -0.249 12.660 -8.625 1.00 0.00 C ATOM 356 O GLN A 33 0.453 13.648 -8.379 1.00 0.00 O ATOM 357 CB GLN A 33 -2.020 13.536 -7.031 1.00 0.00 C ATOM 358 CG GLN A 33 -1.891 15.010 -7.384 1.00 0.00 C ATOM 359 CD GLN A 33 -2.383 15.927 -6.279 1.00 0.00 C ATOM 360 OE1 GLN A 33 -2.808 17.050 -6.539 1.00 0.00 O ATOM 361 NE2 GLN A 33 -2.359 15.448 -5.045 1.00 0.00 N ATOM 0 H GLN A 33 -1.593 10.968 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.348 12.865 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.034 13.347 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.348 13.314 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.847 15.237 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.455 15.211 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.998 14.510 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.701 16.017 -4.270 1.00 0.00 H new ATOM 370 N GLY A 34 0.210 11.592 -9.267 1.00 0.00 N ATOM 371 CA GLY A 34 1.573 11.532 -9.751 1.00 0.00 C ATOM 372 C GLY A 34 2.528 11.015 -8.700 1.00 0.00 C ATOM 373 O GLY A 34 2.596 9.812 -8.448 1.00 0.00 O ATOM 0 H GLY A 34 -0.346 10.759 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.617 10.887 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.888 12.526 -10.069 1.00 0.00 H new ATOM 377 N SER A 35 3.267 11.926 -8.083 1.00 0.00 N ATOM 378 CA SER A 35 4.189 11.565 -7.017 1.00 0.00 C ATOM 379 C SER A 35 3.450 11.450 -5.685 1.00 0.00 C ATOM 380 O SER A 35 3.965 10.895 -4.716 1.00 0.00 O ATOM 381 CB SER A 35 5.296 12.611 -6.920 1.00 0.00 C ATOM 382 OG SER A 35 5.944 12.774 -8.172 1.00 0.00 O ATOM 0 H SER A 35 3.246 12.922 -8.303 1.00 0.00 H new ATOM 0 HA SER A 35 4.632 10.596 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.876 13.563 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.023 12.310 -6.165 1.00 0.00 H new ATOM 0 HG SER A 35 6.649 13.450 -8.090 1.00 0.00 H new ATOM 388 N HIS A 36 2.235 11.979 -5.649 1.00 0.00 N ATOM 389 CA HIS A 36 1.406 11.899 -4.458 1.00 0.00 C ATOM 390 C HIS A 36 0.264 10.927 -4.688 1.00 0.00 C ATOM 391 O HIS A 36 -0.633 11.199 -5.472 1.00 0.00 O ATOM 392 CB HIS A 36 0.837 13.272 -4.078 1.00 0.00 C ATOM 393 CG HIS A 36 1.851 14.238 -3.544 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.679 15.607 -3.569 1.00 0.00 N ATOM 395 CD2 HIS A 36 3.046 14.026 -2.944 1.00 0.00 C ATOM 396 CE1 HIS A 36 2.721 16.189 -3.008 1.00 0.00 C ATOM 397 NE2 HIS A 36 3.563 15.253 -2.619 1.00 0.00 N ATOM 0 H HIS A 36 1.802 12.468 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 36 2.033 11.548 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.363 13.711 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.056 13.134 -3.330 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.507 13.067 -2.756 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.861 17.253 -2.888 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.455 15.415 -2.152 1.00 0.00 H new ATOM 406 N PHE A 37 0.323 9.788 -4.028 1.00 0.00 N ATOM 407 CA PHE A 37 -0.737 8.794 -4.110 1.00 0.00 C ATOM 408 C PHE A 37 -0.749 7.978 -2.829 1.00 0.00 C ATOM 409 O PHE A 37 0.173 8.091 -2.019 1.00 0.00 O ATOM 410 CB PHE A 37 -0.550 7.878 -5.330 1.00 0.00 C ATOM 411 CG PHE A 37 0.738 7.100 -5.334 1.00 0.00 C ATOM 412 CD1 PHE A 37 0.814 5.849 -4.737 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.871 7.619 -5.939 1.00 0.00 C ATOM 414 CE1 PHE A 37 1.997 5.134 -4.745 1.00 0.00 C ATOM 415 CE2 PHE A 37 3.054 6.908 -5.948 1.00 0.00 C ATOM 416 CZ PHE A 37 3.118 5.665 -5.350 1.00 0.00 C ATOM 0 H PHE A 37 1.100 9.523 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.692 9.305 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.383 7.177 -5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.596 8.485 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.060 5.430 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.828 8.591 -6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.044 4.161 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.930 7.324 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.044 5.109 -5.356 1.00 0.00 H new ATOM 426 N ARG A 38 -1.779 7.169 -2.631 1.00 0.00 N ATOM 427 CA ARG A 38 -1.852 6.358 -1.422 1.00 0.00 C ATOM 428 C ARG A 38 -2.103 4.893 -1.746 1.00 0.00 C ATOM 429 O ARG A 38 -2.761 4.561 -2.734 1.00 0.00 O ATOM 430 CB ARG A 38 -2.947 6.878 -0.486 1.00 0.00 C ATOM 431 CG ARG A 38 -4.349 6.745 -1.054 1.00 0.00 C ATOM 432 CD ARG A 38 -5.390 7.344 -0.125 1.00 0.00 C ATOM 433 NE ARG A 38 -6.748 7.132 -0.623 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.501 8.087 -1.164 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.016 9.313 -1.319 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.731 7.807 -1.565 1.00 0.00 N ATOM 0 H ARG A 38 -2.561 7.056 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.887 6.436 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.894 6.335 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.753 7.927 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.398 7.241 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.575 5.692 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.292 6.899 0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.206 8.413 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.143 6.194 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.063 9.526 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.596 10.042 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.099 6.862 -1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.311 8.537 -1.980 1.00 0.00 H new ATOM 450 N LEU A 39 -1.559 4.026 -0.906 1.00 0.00 N ATOM 451 CA LEU A 39 -1.810 2.600 -0.994 1.00 0.00 C ATOM 452 C LEU A 39 -2.719 2.179 0.139 1.00 0.00 C ATOM 453 O LEU A 39 -2.379 2.318 1.316 1.00 0.00 O ATOM 454 CB LEU A 39 -0.512 1.806 -0.919 1.00 0.00 C ATOM 455 CG LEU A 39 0.478 2.071 -2.039 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.791 1.367 -1.745 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.085 1.610 -3.375 1.00 0.00 C ATOM 0 H LEU A 39 -0.933 4.293 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.284 2.395 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.026 2.025 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.755 0.744 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 39 0.658 3.144 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.497 1.561 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.202 1.740 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.618 0.294 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.640 1.809 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.291 0.540 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.008 2.150 -3.586 1.00 0.00 H new ATOM 469 N VAL A 40 -3.879 1.688 -0.218 1.00 0.00 N ATOM 470 CA VAL A 40 -4.832 1.213 0.762 1.00 0.00 C ATOM 471 C VAL A 40 -4.685 -0.289 0.950 1.00 0.00 C ATOM 472 O VAL A 40 -4.837 -1.059 0.004 1.00 0.00 O ATOM 473 CB VAL A 40 -6.281 1.549 0.356 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.254 1.087 1.428 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.432 3.039 0.102 1.00 0.00 C ATOM 0 H VAL A 40 -4.191 1.605 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.619 1.721 1.703 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.512 1.020 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.272 1.332 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.164 0.009 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.024 1.588 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.461 3.257 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.182 3.590 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.761 3.341 -0.702 1.00 0.00 H new ATOM 485 N VAL A 41 -4.359 -0.698 2.162 1.00 0.00 N ATOM 486 CA VAL A 41 -4.235 -2.108 2.478 1.00 0.00 C ATOM 487 C VAL A 41 -5.583 -2.660 2.921 1.00 0.00 C ATOM 488 O VAL A 41 -6.101 -2.302 3.983 1.00 0.00 O ATOM 489 CB VAL A 41 -3.190 -2.368 3.583 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.093 -3.851 3.877 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.830 -1.822 3.184 1.00 0.00 C ATOM 0 H VAL A 41 -4.175 -0.071 2.946 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.898 -2.614 1.573 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.514 -1.850 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.352 -4.019 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.063 -4.220 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.794 -4.382 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.111 -2.018 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.497 -2.308 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.904 -0.747 3.019 1.00 0.00 H new ATOM 501 N ARG A 42 -6.157 -3.505 2.092 1.00 0.00 N ATOM 502 CA ARG A 42 -7.436 -4.115 2.387 1.00 0.00 C ATOM 503 C ARG A 42 -7.234 -5.518 2.943 1.00 0.00 C ATOM 504 O ARG A 42 -6.103 -5.992 3.046 1.00 0.00 O ATOM 505 CB ARG A 42 -8.279 -4.168 1.117 1.00 0.00 C ATOM 506 CG ARG A 42 -8.418 -2.822 0.423 1.00 0.00 C ATOM 507 CD ARG A 42 -9.033 -2.977 -0.955 1.00 0.00 C ATOM 508 NE ARG A 42 -8.287 -3.935 -1.771 1.00 0.00 N ATOM 509 CZ ARG A 42 -8.858 -4.887 -2.507 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.180 -4.958 -2.583 1.00 0.00 N ATOM 511 NH2 ARG A 42 -8.112 -5.754 -3.181 1.00 0.00 N ATOM 0 H ARG A 42 -5.753 -3.788 1.199 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.954 -3.517 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.832 -4.881 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.272 -4.544 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.037 -2.160 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.439 -2.352 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.067 -3.308 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.054 -2.009 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.269 -3.870 -1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.757 -4.285 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.620 -5.686 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.095 -5.694 -3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.556 -6.480 -3.743 1.00 0.00 H new ATOM 525 N ASP A 43 -8.317 -6.172 3.322 1.00 0.00 N ATOM 526 CA ASP A 43 -8.245 -7.565 3.744 1.00 0.00 C ATOM 527 C ASP A 43 -8.555 -8.473 2.565 1.00 0.00 C ATOM 528 O ASP A 43 -8.690 -8.005 1.432 1.00 0.00 O ATOM 529 CB ASP A 43 -9.215 -7.854 4.898 1.00 0.00 C ATOM 530 CG ASP A 43 -10.649 -8.073 4.444 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.098 -7.385 3.510 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.325 -8.958 5.005 1.00 0.00 O ATOM 0 H ASP A 43 -9.253 -5.767 3.347 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.234 -7.759 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.874 -8.738 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.188 -7.022 5.602 1.00 0.00 H new ATOM 537 N THR A 44 -8.704 -9.758 2.845 1.00 0.00 N ATOM 538 CA THR A 44 -8.934 -10.760 1.811 1.00 0.00 C ATOM 539 C THR A 44 -10.227 -10.485 1.035 1.00 0.00 C ATOM 540 O THR A 44 -10.375 -10.902 -0.118 1.00 0.00 O ATOM 541 CB THR A 44 -8.981 -12.177 2.423 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.264 -13.150 1.414 1.00 0.00 O ATOM 543 CG2 THR A 44 -10.024 -12.266 3.530 1.00 0.00 C ATOM 0 H THR A 44 -8.669 -10.137 3.791 1.00 0.00 H new ATOM 0 HA THR A 44 -8.099 -10.701 1.113 1.00 0.00 H new ATOM 0 HB THR A 44 -8.001 -12.383 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.805 -13.988 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.033 -13.276 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.779 -11.555 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.007 -12.031 3.123 1.00 0.00 H new ATOM 551 N GLU A 45 -11.151 -9.771 1.662 1.00 0.00 N ATOM 552 CA GLU A 45 -12.424 -9.448 1.039 1.00 0.00 C ATOM 553 C GLU A 45 -12.342 -8.110 0.308 1.00 0.00 C ATOM 554 O GLU A 45 -13.005 -7.903 -0.713 1.00 0.00 O ATOM 555 CB GLU A 45 -13.525 -9.402 2.097 1.00 0.00 C ATOM 556 CG GLU A 45 -14.910 -9.160 1.526 1.00 0.00 C ATOM 557 CD GLU A 45 -15.985 -9.164 2.591 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.161 -8.130 3.265 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.657 -10.202 2.757 1.00 0.00 O ATOM 0 H GLU A 45 -11.041 -9.403 2.607 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.661 -10.224 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.528 -10.343 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.295 -8.614 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.923 -8.202 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.134 -9.928 0.786 1.00 0.00 H new ATOM 566 N GLY A 46 -11.524 -7.210 0.825 1.00 0.00 N ATOM 567 CA GLY A 46 -11.412 -5.892 0.237 1.00 0.00 C ATOM 568 C GLY A 46 -11.769 -4.779 1.207 1.00 0.00 C ATOM 569 O GLY A 46 -11.895 -3.622 0.807 1.00 0.00 O ATOM 0 H GLY A 46 -10.934 -7.367 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.392 -5.744 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.065 -5.832 -0.634 1.00 0.00 H new ATOM 573 N ARG A 47 -11.920 -5.122 2.482 1.00 0.00 N ATOM 574 CA ARG A 47 -12.208 -4.139 3.509 1.00 0.00 C ATOM 575 C ARG A 47 -10.945 -3.346 3.805 1.00 0.00 C ATOM 576 O ARG A 47 -9.875 -3.928 3.968 1.00 0.00 O ATOM 577 CB ARG A 47 -12.699 -4.833 4.782 1.00 0.00 C ATOM 578 CG ARG A 47 -13.847 -5.807 4.559 1.00 0.00 C ATOM 579 CD ARG A 47 -15.036 -5.140 3.889 1.00 0.00 C ATOM 580 NE ARG A 47 -15.595 -4.055 4.693 1.00 0.00 N ATOM 581 CZ ARG A 47 -16.536 -3.224 4.254 1.00 0.00 C ATOM 582 NH1 ARG A 47 -17.014 -3.361 3.024 1.00 0.00 N ATOM 583 NH2 ARG A 47 -16.995 -2.259 5.044 1.00 0.00 N ATOM 0 H ARG A 47 -11.846 -6.080 2.826 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.990 -3.466 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.865 -5.369 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.015 -4.074 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.503 -6.638 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.158 -6.226 5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.730 -4.749 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.809 -5.885 3.702 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.244 -3.928 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.660 -4.102 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.736 -2.726 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.626 -2.155 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.717 -1.623 4.705 1.00 0.00 H new ATOM 597 N MET A 48 -11.060 -2.030 3.875 1.00 0.00 N ATOM 598 CA MET A 48 -9.887 -1.183 4.044 1.00 0.00 C ATOM 599 C MET A 48 -9.449 -1.159 5.500 1.00 0.00 C ATOM 600 O MET A 48 -10.065 -0.500 6.338 1.00 0.00 O ATOM 601 CB MET A 48 -10.160 0.237 3.551 1.00 0.00 C ATOM 602 CG MET A 48 -10.609 0.303 2.099 1.00 0.00 C ATOM 603 SD MET A 48 -10.681 1.991 1.468 1.00 0.00 S ATOM 604 CE MET A 48 -11.184 1.687 -0.223 1.00 0.00 C ATOM 0 H MET A 48 -11.945 -1.527 3.818 1.00 0.00 H new ATOM 0 HA MET A 48 -9.081 -1.604 3.443 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.926 0.690 4.180 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.256 0.834 3.670 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.924 -0.281 1.484 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.593 -0.157 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.274 2.636 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.438 1.065 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.146 1.175 -0.230 1.00 0.00 H new ATOM 614 N VAL A 49 -8.380 -1.884 5.787 1.00 0.00 N ATOM 615 CA VAL A 49 -7.865 -1.999 7.143 1.00 0.00 C ATOM 616 C VAL A 49 -6.841 -0.902 7.416 1.00 0.00 C ATOM 617 O VAL A 49 -6.716 -0.411 8.541 1.00 0.00 O ATOM 618 CB VAL A 49 -7.210 -3.381 7.369 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.795 -3.563 8.825 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.148 -4.498 6.933 1.00 0.00 C ATOM 0 H VAL A 49 -7.847 -2.407 5.092 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.704 -1.891 7.830 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.310 -3.429 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.338 -4.544 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.077 -2.789 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.673 -3.486 9.466 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.668 -5.462 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.070 -4.446 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.379 -4.387 5.874 1.00 0.00 H new ATOM 630 N TRP A 50 -6.130 -0.508 6.371 1.00 0.00 N ATOM 631 CA TRP A 50 -5.067 0.477 6.488 1.00 0.00 C ATOM 632 C TRP A 50 -4.917 1.233 5.172 1.00 0.00 C ATOM 633 O TRP A 50 -5.396 0.780 4.135 1.00 0.00 O ATOM 634 CB TRP A 50 -3.748 -0.220 6.870 1.00 0.00 C ATOM 635 CG TRP A 50 -2.571 0.704 6.989 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.528 0.811 6.115 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.319 1.651 8.034 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.648 1.771 6.547 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.109 2.301 7.723 1.00 0.00 C ATOM 640 CE3 TRP A 50 -2.999 2.017 9.199 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.565 3.291 8.535 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.458 3.000 10.005 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.253 3.630 9.669 1.00 0.00 C ATOM 0 H TRP A 50 -6.272 -0.859 5.424 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.319 1.192 7.271 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.886 -0.737 7.820 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.523 -0.981 6.122 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.412 0.226 5.215 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.211 2.046 6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.931 1.540 9.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.366 3.775 8.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.973 3.288 10.910 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.859 4.398 10.317 1.00 0.00 H new ATOM 654 N ARG A 51 -4.282 2.394 5.224 1.00 0.00 N ATOM 655 CA ARG A 51 -4.002 3.185 4.036 1.00 0.00 C ATOM 656 C ARG A 51 -2.862 4.150 4.325 1.00 0.00 C ATOM 657 O ARG A 51 -2.848 4.806 5.365 1.00 0.00 O ATOM 658 CB ARG A 51 -5.251 3.946 3.572 1.00 0.00 C ATOM 659 CG ARG A 51 -5.912 4.769 4.670 1.00 0.00 C ATOM 660 CD ARG A 51 -7.083 5.589 4.149 1.00 0.00 C ATOM 661 NE ARG A 51 -8.195 4.753 3.687 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.481 5.054 3.890 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.805 6.134 4.592 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.442 4.274 3.402 1.00 0.00 N ATOM 0 H ARG A 51 -3.946 2.814 6.091 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.708 2.514 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.978 4.607 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.975 3.232 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.260 4.104 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.174 5.436 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.436 6.253 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.743 6.221 3.328 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.975 3.894 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.073 6.732 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.786 6.365 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.200 3.439 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.421 4.511 3.561 1.00 0.00 H new ATOM 678 N ALA A 52 -1.896 4.213 3.427 1.00 0.00 N ATOM 679 CA ALA A 52 -0.739 5.074 3.617 1.00 0.00 C ATOM 680 C ALA A 52 -0.365 5.767 2.318 1.00 0.00 C ATOM 681 O ALA A 52 -0.451 5.172 1.245 1.00 0.00 O ATOM 682 CB ALA A 52 0.441 4.271 4.149 1.00 0.00 C ATOM 0 H ALA A 52 -1.888 3.679 2.558 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.999 5.838 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.298 4.931 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.174 3.821 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.697 3.486 3.438 1.00 0.00 H new ATOM 688 N TRP A 53 0.041 7.025 2.417 1.00 0.00 N ATOM 689 CA TRP A 53 0.452 7.783 1.255 1.00 0.00 C ATOM 690 C TRP A 53 1.903 7.485 0.920 1.00 0.00 C ATOM 691 O TRP A 53 2.505 6.550 1.444 1.00 0.00 O ATOM 692 CB TRP A 53 0.308 9.282 1.506 1.00 0.00 C ATOM 693 CG TRP A 53 -1.061 9.729 1.818 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.595 9.805 3.043 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.054 10.191 0.900 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.874 10.278 2.969 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.182 10.524 1.659 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.098 10.354 -0.487 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.352 11.013 1.084 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.257 10.841 -1.058 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.370 11.165 -0.275 1.00 0.00 C ATOM 0 H TRP A 53 0.093 7.540 3.296 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.190 7.492 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.963 9.562 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.658 9.819 0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.088 9.532 3.957 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.499 10.424 3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.244 10.104 -1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.212 11.263 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.305 10.974 -2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.262 11.543 -0.753 1.00 0.00 H new ATOM 712 N ASN A 54 2.460 8.321 0.072 1.00 0.00 N ATOM 713 CA ASN A 54 3.835 8.159 -0.379 1.00 0.00 C ATOM 714 C ASN A 54 4.750 9.091 0.405 1.00 0.00 C ATOM 715 O ASN A 54 5.893 8.754 0.694 1.00 0.00 O ATOM 716 CB ASN A 54 3.935 8.458 -1.884 1.00 0.00 C ATOM 717 CG ASN A 54 5.214 7.943 -2.539 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.219 7.610 -3.722 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.306 7.878 -1.792 1.00 0.00 N ATOM 0 H ASN A 54 1.981 9.129 -0.325 1.00 0.00 H new ATOM 0 HA ASN A 54 4.148 7.129 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.077 8.014 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.871 9.536 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.181 7.545 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.272 8.161 -0.813 1.00 0.00 H new ATOM 726 N PHE A 55 4.227 10.249 0.775 1.00 0.00 N ATOM 727 CA PHE A 55 5.034 11.285 1.407 1.00 0.00 C ATOM 728 C PHE A 55 5.069 11.132 2.927 1.00 0.00 C ATOM 729 O PHE A 55 5.557 12.016 3.633 1.00 0.00 O ATOM 730 CB PHE A 55 4.502 12.673 1.026 1.00 0.00 C ATOM 731 CG PHE A 55 3.033 12.869 1.298 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.589 13.285 2.543 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.096 12.640 0.301 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.241 13.467 2.788 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.747 12.820 0.542 1.00 0.00 C ATOM 736 CZ PHE A 55 0.320 13.234 1.787 1.00 0.00 C ATOM 0 H PHE A 55 3.246 10.497 0.649 1.00 0.00 H new ATOM 0 HA PHE A 55 6.056 11.176 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.065 13.428 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.689 12.843 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.304 13.469 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.425 12.317 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.908 13.792 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.028 12.637 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.734 13.376 1.978 1.00 0.00 H new ATOM 746 N GLU A 56 4.569 10.014 3.432 1.00 0.00 N ATOM 747 CA GLU A 56 4.516 9.800 4.871 1.00 0.00 C ATOM 748 C GLU A 56 5.856 9.300 5.398 1.00 0.00 C ATOM 749 O GLU A 56 6.443 8.371 4.837 1.00 0.00 O ATOM 750 CB GLU A 56 3.377 8.847 5.234 1.00 0.00 C ATOM 751 CG GLU A 56 2.012 9.386 4.835 1.00 0.00 C ATOM 752 CD GLU A 56 0.871 8.713 5.564 1.00 0.00 C ATOM 753 OE1 GLU A 56 0.549 9.147 6.691 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.279 7.768 5.011 1.00 0.00 O ATOM 0 H GLU A 56 4.197 9.247 2.872 1.00 0.00 H new ATOM 0 HA GLU A 56 4.313 10.756 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.542 7.887 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.391 8.663 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.979 10.457 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.876 9.255 3.761 1.00 0.00 H new ATOM 761 N PRO A 57 6.338 9.933 6.491 1.00 0.00 N ATOM 762 CA PRO A 57 7.666 9.698 7.081 1.00 0.00 C ATOM 763 C PRO A 57 8.128 8.246 7.017 1.00 0.00 C ATOM 764 O PRO A 57 9.217 7.959 6.525 1.00 0.00 O ATOM 765 CB PRO A 57 7.463 10.134 8.524 1.00 0.00 C ATOM 766 CG PRO A 57 6.491 11.256 8.431 1.00 0.00 C ATOM 767 CD PRO A 57 5.591 10.952 7.258 1.00 0.00 C ATOM 0 HA PRO A 57 8.446 10.236 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.074 9.320 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.400 10.455 8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.912 11.344 9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.008 12.205 8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.622 10.575 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.401 11.843 6.659 1.00 0.00 H new ATOM 775 N ASP A 58 7.311 7.332 7.516 1.00 0.00 N ATOM 776 CA ASP A 58 7.620 5.918 7.390 1.00 0.00 C ATOM 777 C ASP A 58 6.368 5.140 7.019 1.00 0.00 C ATOM 778 O ASP A 58 5.837 4.366 7.821 1.00 0.00 O ATOM 779 CB ASP A 58 8.233 5.358 8.673 1.00 0.00 C ATOM 780 CG ASP A 58 9.173 4.200 8.391 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.697 3.111 8.007 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.400 4.385 8.534 1.00 0.00 O ATOM 0 H ASP A 58 6.441 7.540 8.005 1.00 0.00 H new ATOM 0 HA ASP A 58 8.359 5.808 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.776 6.148 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.438 5.026 9.341 1.00 0.00 H new ATOM 787 N ALA A 59 5.876 5.390 5.809 1.00 0.00 N ATOM 788 CA ALA A 59 4.724 4.669 5.278 1.00 0.00 C ATOM 789 C ALA A 59 4.964 3.157 5.289 1.00 0.00 C ATOM 790 O ALA A 59 4.037 2.373 5.513 1.00 0.00 O ATOM 791 CB ALA A 59 4.418 5.150 3.866 1.00 0.00 C ATOM 0 H ALA A 59 6.260 6.091 5.175 1.00 0.00 H new ATOM 0 HA ALA A 59 3.866 4.873 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.557 4.608 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.197 6.217 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.281 4.970 3.225 1.00 0.00 H new ATOM 797 N GLY A 60 6.217 2.761 5.073 1.00 0.00 N ATOM 798 CA GLY A 60 6.563 1.355 5.028 1.00 0.00 C ATOM 799 C GLY A 60 6.282 0.629 6.323 1.00 0.00 C ATOM 800 O GLY A 60 5.914 -0.545 6.309 1.00 0.00 O ATOM 0 H GLY A 60 7.002 3.396 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.006 0.876 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.621 1.256 4.786 1.00 0.00 H new ATOM 804 N GLU A 61 6.443 1.323 7.441 1.00 0.00 N ATOM 805 CA GLU A 61 6.224 0.727 8.750 1.00 0.00 C ATOM 806 C GLU A 61 4.761 0.330 8.931 1.00 0.00 C ATOM 807 O GLU A 61 4.461 -0.689 9.552 1.00 0.00 O ATOM 808 CB GLU A 61 6.657 1.701 9.845 1.00 0.00 C ATOM 809 CG GLU A 61 6.508 1.157 11.250 1.00 0.00 C ATOM 810 CD GLU A 61 7.214 2.016 12.275 1.00 0.00 C ATOM 811 OE1 GLU A 61 6.750 3.148 12.540 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.249 1.568 12.812 1.00 0.00 O ATOM 0 H GLU A 61 6.726 2.303 7.467 1.00 0.00 H new ATOM 0 HA GLU A 61 6.827 -0.178 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.699 1.975 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.070 2.615 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.449 1.091 11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.909 0.144 11.290 1.00 0.00 H new ATOM 819 N GLY A 62 3.854 1.120 8.366 1.00 0.00 N ATOM 820 CA GLY A 62 2.439 0.800 8.460 1.00 0.00 C ATOM 821 C GLY A 62 2.098 -0.422 7.634 1.00 0.00 C ATOM 822 O GLY A 62 1.406 -1.337 8.094 1.00 0.00 O ATOM 0 H GLY A 62 4.070 1.971 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.172 0.624 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.848 1.650 8.118 1.00 0.00 H new ATOM 826 N LEU A 63 2.611 -0.443 6.412 1.00 0.00 N ATOM 827 CA LEU A 63 2.424 -1.573 5.518 1.00 0.00 C ATOM 828 C LEU A 63 3.051 -2.825 6.124 1.00 0.00 C ATOM 829 O LEU A 63 2.451 -3.897 6.116 1.00 0.00 O ATOM 830 CB LEU A 63 3.050 -1.264 4.155 1.00 0.00 C ATOM 831 CG LEU A 63 2.598 0.059 3.524 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.396 0.354 2.269 1.00 0.00 C ATOM 833 CD2 LEU A 63 1.109 0.026 3.213 1.00 0.00 C ATOM 0 H LEU A 63 3.164 0.317 6.016 1.00 0.00 H new ATOM 0 HA LEU A 63 1.358 -1.752 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.134 -1.246 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.812 -2.077 3.469 1.00 0.00 H new ATOM 0 HG LEU A 63 2.781 0.858 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.060 1.297 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.454 0.427 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.248 -0.449 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.810 0.974 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.901 -0.786 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.548 -0.134 4.134 1.00 0.00 H new ATOM 845 N ASN A 64 4.252 -2.664 6.677 1.00 0.00 N ATOM 846 CA ASN A 64 4.962 -3.754 7.347 1.00 0.00 C ATOM 847 C ASN A 64 4.171 -4.271 8.538 1.00 0.00 C ATOM 848 O ASN A 64 4.142 -5.474 8.798 1.00 0.00 O ATOM 849 CB ASN A 64 6.340 -3.282 7.812 1.00 0.00 C ATOM 850 CG ASN A 64 7.458 -3.739 6.901 1.00 0.00 C ATOM 851 OD1 ASN A 64 8.117 -4.745 7.166 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.665 -3.024 5.807 1.00 0.00 N ATOM 0 H ASN A 64 4.759 -1.779 6.674 1.00 0.00 H new ATOM 0 HA ASN A 64 5.081 -4.566 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.346 -2.193 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.525 -3.654 8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.392 -3.300 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.097 -2.197 5.623 1.00 0.00 H new ATOM 859 N ARG A 65 3.531 -3.353 9.258 1.00 0.00 N ATOM 860 CA ARG A 65 2.689 -3.712 10.392 1.00 0.00 C ATOM 861 C ARG A 65 1.610 -4.700 9.960 1.00 0.00 C ATOM 862 O ARG A 65 1.288 -5.641 10.688 1.00 0.00 O ATOM 863 CB ARG A 65 2.047 -2.453 10.995 1.00 0.00 C ATOM 864 CG ARG A 65 1.115 -2.733 12.163 1.00 0.00 C ATOM 865 CD ARG A 65 1.844 -3.428 13.300 1.00 0.00 C ATOM 866 NE ARG A 65 0.953 -3.767 14.407 1.00 0.00 N ATOM 867 CZ ARG A 65 0.662 -5.017 14.770 1.00 0.00 C ATOM 868 NH1 ARG A 65 1.128 -6.040 14.062 1.00 0.00 N ATOM 869 NH2 ARG A 65 -0.102 -5.244 15.832 1.00 0.00 N ATOM 0 H ARG A 65 3.581 -2.351 9.074 1.00 0.00 H new ATOM 0 HA ARG A 65 3.310 -4.187 11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.836 -1.779 11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.490 -1.933 10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.687 -1.797 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.285 -3.355 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.315 -4.337 12.925 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.643 -2.782 13.665 1.00 0.00 H new ATOM 0 HE ARG A 65 0.529 -3.003 14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.708 -5.870 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.905 -6.996 14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.469 -4.461 16.373 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.322 -6.201 16.106 1.00 0.00 H new ATOM 883 N TYR A 66 1.066 -4.487 8.768 1.00 0.00 N ATOM 884 CA TYR A 66 0.056 -5.391 8.228 1.00 0.00 C ATOM 885 C TYR A 66 0.697 -6.657 7.649 1.00 0.00 C ATOM 886 O TYR A 66 0.275 -7.766 7.953 1.00 0.00 O ATOM 887 CB TYR A 66 -0.781 -4.690 7.157 1.00 0.00 C ATOM 888 CG TYR A 66 -1.965 -5.506 6.687 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.827 -6.448 5.674 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.220 -5.332 7.258 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.908 -7.193 5.242 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.306 -6.071 6.831 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.145 -7.000 5.823 1.00 0.00 C ATOM 894 OH TYR A 66 -5.223 -7.735 5.388 1.00 0.00 O ATOM 0 H TYR A 66 1.304 -3.703 8.160 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.598 -5.683 9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.139 -3.739 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.145 -4.461 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.860 -6.600 5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.348 -4.607 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.786 -7.922 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.275 -5.923 7.283 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.037 -7.415 5.830 1.00 0.00 H new ATOM 904 N ILE A 67 1.716 -6.487 6.812 1.00 0.00 N ATOM 905 CA ILE A 67 2.384 -7.617 6.154 1.00 0.00 C ATOM 906 C ILE A 67 2.920 -8.640 7.163 1.00 0.00 C ATOM 907 O ILE A 67 2.969 -9.837 6.876 1.00 0.00 O ATOM 908 CB ILE A 67 3.541 -7.119 5.253 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.995 -6.211 4.149 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.312 -8.287 4.646 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.071 -5.511 3.349 1.00 0.00 C ATOM 0 H ILE A 67 2.102 -5.575 6.569 1.00 0.00 H new ATOM 0 HA ILE A 67 1.633 -8.114 5.540 1.00 0.00 H new ATOM 0 HB ILE A 67 4.232 -6.549 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.381 -6.805 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.342 -5.462 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.117 -7.905 4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.733 -8.899 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.638 -8.893 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.608 -4.886 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.671 -4.889 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.710 -6.253 2.871 1.00 0.00 H new ATOM 923 N ARG A 68 3.296 -8.167 8.349 1.00 0.00 N ATOM 924 CA ARG A 68 3.831 -9.040 9.389 1.00 0.00 C ATOM 925 C ARG A 68 2.832 -10.130 9.771 1.00 0.00 C ATOM 926 O ARG A 68 3.228 -11.238 10.136 1.00 0.00 O ATOM 927 CB ARG A 68 4.240 -8.230 10.627 1.00 0.00 C ATOM 928 CG ARG A 68 4.616 -9.089 11.831 1.00 0.00 C ATOM 929 CD ARG A 68 5.359 -8.291 12.888 1.00 0.00 C ATOM 930 NE ARG A 68 6.743 -8.028 12.501 1.00 0.00 N ATOM 931 CZ ARG A 68 7.281 -6.812 12.440 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.554 -5.740 12.728 1.00 0.00 N ATOM 933 NH2 ARG A 68 8.552 -6.661 12.096 1.00 0.00 N ATOM 0 H ARG A 68 3.240 -7.183 8.613 1.00 0.00 H new ATOM 0 HA ARG A 68 4.719 -9.525 8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.086 -7.593 10.369 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.418 -7.571 10.906 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.713 -9.517 12.267 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.237 -9.922 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.844 -7.346 13.058 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.344 -8.836 13.832 1.00 0.00 H new ATOM 0 HE ARG A 68 7.333 -8.825 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.576 -5.845 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.973 -4.811 12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.122 -7.478 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.961 -5.728 12.050 1.00 0.00 H new ATOM 947 N THR A 69 1.542 -9.843 9.662 1.00 0.00 N ATOM 948 CA THR A 69 0.543 -10.837 9.990 1.00 0.00 C ATOM 949 C THR A 69 0.159 -11.630 8.736 1.00 0.00 C ATOM 950 O THR A 69 -0.966 -11.561 8.239 1.00 0.00 O ATOM 951 CB THR A 69 -0.696 -10.233 10.711 1.00 0.00 C ATOM 952 OG1 THR A 69 -1.606 -11.270 11.093 1.00 0.00 O ATOM 953 CG2 THR A 69 -1.426 -9.206 9.861 1.00 0.00 C ATOM 0 H THR A 69 1.172 -8.944 9.354 1.00 0.00 H new ATOM 0 HA THR A 69 0.984 -11.527 10.709 1.00 0.00 H new ATOM 0 HB THR A 69 -0.321 -9.721 11.597 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.380 -10.875 11.547 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.281 -8.818 10.414 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.749 -8.387 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.772 -9.676 8.940 1.00 0.00 H new ATOM 961 N SER A 70 1.165 -12.323 8.192 1.00 0.00 N ATOM 962 CA SER A 70 0.979 -13.343 7.156 1.00 0.00 C ATOM 963 C SER A 70 0.907 -12.748 5.746 1.00 0.00 C ATOM 964 O SER A 70 1.440 -13.329 4.798 1.00 0.00 O ATOM 965 CB SER A 70 -0.274 -14.178 7.463 1.00 0.00 C ATOM 966 OG SER A 70 -0.433 -15.269 6.568 1.00 0.00 O ATOM 0 H SER A 70 2.140 -12.190 8.461 1.00 0.00 H new ATOM 0 HA SER A 70 1.857 -13.989 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.214 -14.555 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.155 -13.538 7.411 1.00 0.00 H new ATOM 0 HG SER A 70 -1.241 -15.770 6.804 1.00 0.00 H new ATOM 972 N GLY A 71 0.279 -11.589 5.606 1.00 0.00 N ATOM 973 CA GLY A 71 0.070 -11.025 4.286 1.00 0.00 C ATOM 974 C GLY A 71 -1.060 -11.722 3.541 1.00 0.00 C ATOM 975 O GLY A 71 -1.482 -12.815 3.914 1.00 0.00 O ATOM 0 H GLY A 71 -0.088 -11.031 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.157 -9.963 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.990 -11.106 3.707 1.00 0.00 H new ATOM 979 N ILE A 72 -1.548 -11.098 2.477 1.00 0.00 N ATOM 980 CA ILE A 72 -2.692 -11.634 1.741 1.00 0.00 C ATOM 981 C ILE A 72 -2.236 -12.353 0.459 1.00 0.00 C ATOM 982 O ILE A 72 -3.040 -12.796 -0.354 1.00 0.00 O ATOM 983 CB ILE A 72 -3.716 -10.508 1.432 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.127 -9.807 2.731 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.960 -11.042 0.727 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.783 -10.728 3.742 1.00 0.00 C ATOM 0 H ILE A 72 -1.174 -10.225 2.104 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.189 -12.374 2.368 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.230 -9.800 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.245 -9.355 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.814 -8.995 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.648 -10.220 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.672 -11.507 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.449 -11.781 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.046 -10.160 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.685 -11.161 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.091 -11.526 4.010 1.00 0.00 H new ATOM 998 N ARG A 73 -0.931 -12.489 0.279 1.00 0.00 N ATOM 999 CA ARG A 73 -0.414 -13.185 -0.896 1.00 0.00 C ATOM 1000 C ARG A 73 -0.674 -14.676 -0.799 1.00 0.00 C ATOM 1001 O ARG A 73 -0.849 -15.357 -1.811 1.00 0.00 O ATOM 1002 CB ARG A 73 1.075 -12.937 -1.067 1.00 0.00 C ATOM 1003 CG ARG A 73 1.681 -13.701 -2.235 1.00 0.00 C ATOM 1004 CD ARG A 73 3.112 -13.274 -2.525 1.00 0.00 C ATOM 1005 NE ARG A 73 3.711 -14.060 -3.606 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.357 -13.539 -4.652 1.00 0.00 C ATOM 1007 NH1 ARG A 73 4.480 -12.220 -4.779 1.00 0.00 N ATOM 1008 NH2 ARG A 73 4.887 -14.342 -5.567 1.00 0.00 N ATOM 0 H ARG A 73 -0.219 -12.135 0.918 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.938 -12.790 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.244 -11.870 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.591 -13.220 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.660 -14.769 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.070 -13.545 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.128 -12.218 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.713 -13.383 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 73 3.629 -15.075 -3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.080 -11.600 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.975 -11.829 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.800 -15.354 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.381 -13.947 -6.367 1.00 0.00 H new ATOM 1022 N THR A 74 -0.711 -15.174 0.422 1.00 0.00 N ATOM 1023 CA THR A 74 -0.982 -16.574 0.670 1.00 0.00 C ATOM 1024 C THR A 74 -2.486 -16.846 0.565 1.00 0.00 C ATOM 1025 O THR A 74 -2.970 -17.919 0.922 1.00 0.00 O ATOM 1026 CB THR A 74 -0.456 -16.979 2.060 1.00 0.00 C ATOM 1027 OG1 THR A 74 0.807 -16.337 2.287 1.00 0.00 O ATOM 1028 CG2 THR A 74 -0.274 -18.487 2.165 1.00 0.00 C ATOM 0 H THR A 74 -0.555 -14.621 1.265 1.00 0.00 H new ATOM 0 HA THR A 74 -0.468 -17.172 -0.082 1.00 0.00 H new ATOM 0 HB THR A 74 -1.185 -16.669 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.148 -16.589 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.098 -18.740 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.231 -18.981 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.441 -18.820 1.413 1.00 0.00 H new ATOM 1036 N ASP A 75 -3.219 -15.862 0.044 1.00 0.00 N ATOM 1037 CA ASP A 75 -4.658 -16.000 -0.131 1.00 0.00 C ATOM 1038 C ASP A 75 -4.934 -16.597 -1.508 1.00 0.00 C ATOM 1039 O ASP A 75 -4.147 -17.400 -2.015 1.00 0.00 O ATOM 1040 CB ASP A 75 -5.346 -14.633 0.032 1.00 0.00 C ATOM 1041 CG ASP A 75 -6.852 -14.729 0.237 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -7.290 -14.904 1.389 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -7.606 -14.614 -0.758 1.00 0.00 O ATOM 0 H ASP A 75 -2.839 -14.966 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.064 -16.666 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.905 -14.112 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.146 -14.027 -0.852 1.00 0.00 H new TER 1048 ASP A 75