USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 33 GLN : amide:sc= -0.141 K(o=-0.14,f=-8.9!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.73) USER MOD Single : A 18 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.034) USER MOD Single : A 21 THR OG1 : rot -65:sc= 1.08 USER MOD Single : A 22 THR OG1 : rot 27:sc= 0.628 USER MOD Single : A 23 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 24 TYR OH : rot 150:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.035 USER MOD Single : A 26 ASN : amide:sc= -3.65! C(o=-3.6!,f=-8.2!) USER MOD Single : A 28 THR OG1 : rot -13:sc= 0.119 USER MOD Single : A 36 HIS : no HD1:sc=-0.00904 X(o=-0.009,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0261 K(o=-0.026,f=-2.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 173:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.007 3.522 5.246 1.00 0.00 N ATOM 2 CA GLY A 10 10.119 4.660 5.440 1.00 0.00 C ATOM 3 C GLY A 10 9.151 4.860 4.287 1.00 0.00 C ATOM 4 O GLY A 10 8.262 4.036 4.077 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.554 4.520 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.717 5.563 5.566 1.00 0.00 H new ATOM 8 N PRO A 11 9.288 5.960 3.525 1.00 0.00 N ATOM 9 CA PRO A 11 8.433 6.230 2.372 1.00 0.00 C ATOM 10 C PRO A 11 8.761 5.297 1.212 1.00 0.00 C ATOM 11 O PRO A 11 9.832 4.689 1.172 1.00 0.00 O ATOM 12 CB PRO A 11 8.747 7.684 1.994 1.00 0.00 C ATOM 13 CG PRO A 11 9.632 8.209 3.079 1.00 0.00 C ATOM 14 CD PRO A 11 10.288 7.015 3.713 1.00 0.00 C ATOM 0 HA PRO A 11 7.379 6.072 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.244 7.737 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.833 8.273 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.379 8.892 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.054 8.769 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.233 6.768 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.504 7.184 4.768 1.00 0.00 H new ATOM 22 N PHE A 12 7.851 5.185 0.265 1.00 0.00 N ATOM 23 CA PHE A 12 8.042 4.259 -0.835 1.00 0.00 C ATOM 24 C PHE A 12 7.966 4.945 -2.172 1.00 0.00 C ATOM 25 O PHE A 12 7.297 5.962 -2.340 1.00 0.00 O ATOM 26 CB PHE A 12 7.018 3.129 -0.774 1.00 0.00 C ATOM 27 CG PHE A 12 5.588 3.605 -0.708 1.00 0.00 C ATOM 28 CD1 PHE A 12 4.905 3.973 -1.855 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.928 3.678 0.507 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.595 4.406 -1.790 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.620 4.107 0.578 1.00 0.00 C ATOM 32 CZ PHE A 12 2.950 4.470 -0.572 1.00 0.00 C ATOM 0 H PHE A 12 6.981 5.717 0.233 1.00 0.00 H new ATOM 0 HA PHE A 12 9.044 3.843 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.139 2.494 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.226 2.510 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.403 3.921 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.445 3.395 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.076 4.694 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.120 4.159 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.924 4.803 -0.519 1.00 0.00 H new ATOM 42 N THR A 13 8.673 4.363 -3.111 1.00 0.00 N ATOM 43 CA THR A 13 8.680 4.822 -4.469 1.00 0.00 C ATOM 44 C THR A 13 7.600 4.084 -5.261 1.00 0.00 C ATOM 45 O THR A 13 7.080 3.070 -4.792 1.00 0.00 O ATOM 46 CB THR A 13 10.059 4.561 -5.075 1.00 0.00 C ATOM 47 OG1 THR A 13 11.057 4.686 -4.053 1.00 0.00 O ATOM 48 CG2 THR A 13 10.341 5.555 -6.170 1.00 0.00 C ATOM 0 H THR A 13 9.265 3.549 -2.946 1.00 0.00 H new ATOM 0 HA THR A 13 8.470 5.891 -4.505 1.00 0.00 H new ATOM 0 HB THR A 13 10.080 3.555 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.942 4.518 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.326 5.359 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.585 5.462 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.317 6.565 -5.760 1.00 0.00 H new ATOM 56 N ARG A 14 7.263 4.578 -6.449 1.00 0.00 N ATOM 57 CA ARG A 14 6.205 3.965 -7.246 1.00 0.00 C ATOM 58 C ARG A 14 6.568 2.537 -7.612 1.00 0.00 C ATOM 59 O ARG A 14 5.778 1.616 -7.410 1.00 0.00 O ATOM 60 CB ARG A 14 5.947 4.751 -8.524 1.00 0.00 C ATOM 61 CG ARG A 14 4.676 4.309 -9.227 1.00 0.00 C ATOM 62 CD ARG A 14 4.474 5.021 -10.551 1.00 0.00 C ATOM 63 NE ARG A 14 3.320 4.483 -11.271 1.00 0.00 N ATOM 64 CZ ARG A 14 3.242 4.374 -12.594 1.00 0.00 C ATOM 65 NH1 ARG A 14 4.200 4.864 -13.370 1.00 0.00 N ATOM 66 NH2 ARG A 14 2.186 3.792 -13.141 1.00 0.00 N ATOM 0 H ARG A 14 7.702 5.393 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 14 5.301 3.970 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.878 5.813 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.794 4.630 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.713 3.233 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.820 4.500 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.331 6.087 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.369 4.916 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 14 2.520 4.170 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.006 5.330 -12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.131 4.775 -14.384 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.439 3.431 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.120 3.705 -14.155 1.00 0.00 H new ATOM 80 N ARG A 15 7.768 2.368 -8.159 1.00 0.00 N ATOM 81 CA ARG A 15 8.274 1.041 -8.523 1.00 0.00 C ATOM 82 C ARG A 15 8.219 0.099 -7.320 1.00 0.00 C ATOM 83 O ARG A 15 7.867 -1.071 -7.451 1.00 0.00 O ATOM 84 CB ARG A 15 9.713 1.123 -9.043 1.00 0.00 C ATOM 85 CG ARG A 15 10.154 -0.120 -9.806 1.00 0.00 C ATOM 86 CD ARG A 15 11.644 -0.096 -10.115 1.00 0.00 C ATOM 87 NE ARG A 15 12.449 -0.478 -8.956 1.00 0.00 N ATOM 88 CZ ARG A 15 13.662 0.013 -8.684 1.00 0.00 C ATOM 89 NH1 ARG A 15 14.193 0.962 -9.450 1.00 0.00 N ATOM 90 NH2 ARG A 15 14.343 -0.446 -7.640 1.00 0.00 N ATOM 0 H ARG A 15 8.412 3.133 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 15 7.637 0.650 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.807 1.992 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.387 1.281 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.919 -1.008 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.591 -0.194 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.854 -0.774 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.931 0.903 -10.442 1.00 0.00 H new ATOM 0 HE ARG A 15 12.059 -1.166 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.674 1.320 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.119 1.332 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.940 -1.172 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.269 -0.073 -7.431 1.00 0.00 H new ATOM 104 N GLN A 16 8.561 0.625 -6.146 1.00 0.00 N ATOM 105 CA GLN A 16 8.499 -0.153 -4.913 1.00 0.00 C ATOM 106 C GLN A 16 7.064 -0.568 -4.622 1.00 0.00 C ATOM 107 O GLN A 16 6.791 -1.733 -4.343 1.00 0.00 O ATOM 108 CB GLN A 16 9.053 0.650 -3.733 1.00 0.00 C ATOM 109 CG GLN A 16 10.529 0.981 -3.861 1.00 0.00 C ATOM 110 CD GLN A 16 11.400 -0.256 -3.967 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.078 -1.307 -3.416 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.508 -0.137 -4.678 1.00 0.00 N ATOM 0 H GLN A 16 8.883 1.585 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 16 9.111 -1.045 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.488 1.578 -3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.894 0.086 -2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.682 1.605 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.842 1.567 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.738 0.754 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.133 -0.936 -4.786 1.00 0.00 H new ATOM 121 N ALA A 17 6.152 0.395 -4.713 1.00 0.00 N ATOM 122 CA ALA A 17 4.733 0.147 -4.461 1.00 0.00 C ATOM 123 C ALA A 17 4.187 -0.940 -5.385 1.00 0.00 C ATOM 124 O ALA A 17 3.447 -1.819 -4.944 1.00 0.00 O ATOM 125 CB ALA A 17 3.934 1.427 -4.634 1.00 0.00 C ATOM 0 H ALA A 17 6.370 1.360 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 17 4.633 -0.200 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.880 1.226 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.294 2.178 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.055 1.796 -5.652 1.00 0.00 H new ATOM 131 N GLN A 18 4.572 -0.874 -6.660 1.00 0.00 N ATOM 132 CA GLN A 18 4.111 -1.820 -7.671 1.00 0.00 C ATOM 133 C GLN A 18 4.520 -3.251 -7.338 1.00 0.00 C ATOM 134 O GLN A 18 3.726 -4.186 -7.467 1.00 0.00 O ATOM 135 CB GLN A 18 4.677 -1.436 -9.033 1.00 0.00 C ATOM 136 CG GLN A 18 4.192 -0.091 -9.543 1.00 0.00 C ATOM 137 CD GLN A 18 4.833 0.303 -10.859 1.00 0.00 C ATOM 138 OE1 GLN A 18 4.235 1.013 -11.665 1.00 0.00 O ATOM 139 NE2 GLN A 18 6.046 -0.173 -11.102 1.00 0.00 N ATOM 0 H GLN A 18 5.211 -0.164 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 18 3.022 -1.777 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.765 -1.420 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.410 -2.206 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.109 -0.123 -9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.405 0.674 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.512 -0.759 -10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.513 0.047 -11.981 1.00 0.00 H new ATOM 148 N ALA A 19 5.765 -3.420 -6.924 1.00 0.00 N ATOM 149 CA ALA A 19 6.285 -4.738 -6.586 1.00 0.00 C ATOM 150 C ALA A 19 5.518 -5.351 -5.417 1.00 0.00 C ATOM 151 O ALA A 19 5.230 -6.554 -5.400 1.00 0.00 O ATOM 152 CB ALA A 19 7.768 -4.650 -6.262 1.00 0.00 C ATOM 0 H ALA A 19 6.437 -2.660 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 19 6.151 -5.388 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.145 -5.641 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.307 -4.265 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.916 -3.980 -5.415 1.00 0.00 H new ATOM 158 N VAL A 20 5.149 -4.520 -4.456 1.00 0.00 N ATOM 159 CA VAL A 20 4.500 -5.008 -3.257 1.00 0.00 C ATOM 160 C VAL A 20 3.029 -5.316 -3.535 1.00 0.00 C ATOM 161 O VAL A 20 2.423 -6.126 -2.845 1.00 0.00 O ATOM 162 CB VAL A 20 4.636 -4.012 -2.084 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.228 -4.665 -0.775 1.00 0.00 C ATOM 164 CG2 VAL A 20 6.058 -3.489 -1.984 1.00 0.00 C ATOM 0 H VAL A 20 5.288 -3.510 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 20 5.003 -5.929 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 20 3.969 -3.172 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.331 -3.946 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.190 -4.993 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.869 -5.525 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.131 -2.789 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.741 -4.322 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.324 -2.980 -2.910 1.00 0.00 H new ATOM 174 N THR A 21 2.461 -4.696 -4.570 1.00 0.00 N ATOM 175 CA THR A 21 1.085 -4.996 -4.955 1.00 0.00 C ATOM 176 C THR A 21 1.011 -6.227 -5.836 1.00 0.00 C ATOM 177 O THR A 21 0.044 -6.983 -5.783 1.00 0.00 O ATOM 178 CB THR A 21 0.400 -3.832 -5.677 1.00 0.00 C ATOM 179 OG1 THR A 21 1.365 -2.875 -6.127 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.606 -3.183 -4.757 1.00 0.00 C ATOM 0 H THR A 21 2.925 -3.995 -5.147 1.00 0.00 H new ATOM 0 HA THR A 21 0.556 -5.178 -4.020 1.00 0.00 H new ATOM 0 HB THR A 21 -0.120 -4.219 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.807 -2.468 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.091 -2.355 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.356 -3.917 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.098 -2.808 -3.869 1.00 0.00 H new ATOM 188 N THR A 22 2.030 -6.435 -6.653 1.00 0.00 N ATOM 189 CA THR A 22 2.108 -7.648 -7.439 1.00 0.00 C ATOM 190 C THR A 22 2.341 -8.841 -6.518 1.00 0.00 C ATOM 191 O THR A 22 2.083 -9.988 -6.884 1.00 0.00 O ATOM 192 CB THR A 22 3.203 -7.561 -8.520 1.00 0.00 C ATOM 193 OG1 THR A 22 4.367 -6.913 -7.992 1.00 0.00 O ATOM 194 CG2 THR A 22 2.701 -6.796 -9.735 1.00 0.00 C ATOM 0 H THR A 22 2.805 -5.786 -6.787 1.00 0.00 H new ATOM 0 HA THR A 22 1.160 -7.779 -7.961 1.00 0.00 H new ATOM 0 HB THR A 22 3.461 -8.575 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.408 -7.053 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.490 -6.747 -10.485 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.834 -7.306 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.419 -5.786 -9.438 1.00 0.00 H new ATOM 202 N THR A 23 2.826 -8.550 -5.311 1.00 0.00 N ATOM 203 CA THR A 23 2.935 -9.556 -4.270 1.00 0.00 C ATOM 204 C THR A 23 1.651 -9.621 -3.421 1.00 0.00 C ATOM 205 O THR A 23 1.069 -10.694 -3.256 1.00 0.00 O ATOM 206 CB THR A 23 4.149 -9.284 -3.366 1.00 0.00 C ATOM 207 OG1 THR A 23 5.298 -9.010 -4.176 1.00 0.00 O ATOM 208 CG2 THR A 23 4.438 -10.482 -2.476 1.00 0.00 C ATOM 0 H THR A 23 3.149 -7.622 -5.036 1.00 0.00 H new ATOM 0 HA THR A 23 3.074 -10.519 -4.761 1.00 0.00 H new ATOM 0 HB THR A 23 3.924 -8.424 -2.735 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.287 -8.070 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.301 -10.267 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.571 -10.686 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.650 -11.353 -3.096 1.00 0.00 H new ATOM 216 N TYR A 24 1.203 -8.484 -2.875 1.00 0.00 N ATOM 217 CA TYR A 24 -0.024 -8.453 -2.110 1.00 0.00 C ATOM 218 C TYR A 24 -1.057 -7.612 -2.847 1.00 0.00 C ATOM 219 O TYR A 24 -0.992 -6.388 -2.843 1.00 0.00 O ATOM 220 CB TYR A 24 0.243 -7.883 -0.714 1.00 0.00 C ATOM 221 CG TYR A 24 1.375 -8.570 0.017 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.686 -8.125 -0.124 1.00 0.00 C ATOM 223 CD2 TYR A 24 1.142 -9.667 0.830 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.728 -8.757 0.523 1.00 0.00 C ATOM 225 CE2 TYR A 24 2.181 -10.305 1.480 1.00 0.00 C ATOM 226 CZ TYR A 24 3.470 -9.847 1.323 1.00 0.00 C ATOM 227 OH TYR A 24 4.505 -10.482 1.965 1.00 0.00 O ATOM 0 H TYR A 24 1.677 -7.584 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.410 -9.466 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.471 -6.821 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.666 -7.965 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.891 -7.270 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.133 -10.029 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.740 -8.399 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.983 -11.160 2.109 1.00 0.00 H new ATOM 0 HH TYR A 24 4.180 -10.873 2.803 1.00 0.00 H new ATOM 237 N SER A 25 -1.992 -8.274 -3.504 1.00 0.00 N ATOM 238 CA SER A 25 -3.011 -7.597 -4.282 1.00 0.00 C ATOM 239 C SER A 25 -4.143 -7.085 -3.395 1.00 0.00 C ATOM 240 O SER A 25 -5.152 -6.574 -3.886 1.00 0.00 O ATOM 241 CB SER A 25 -3.548 -8.544 -5.349 1.00 0.00 C ATOM 242 OG SER A 25 -3.848 -9.821 -4.798 1.00 0.00 O ATOM 0 H SER A 25 -2.066 -9.291 -3.513 1.00 0.00 H new ATOM 0 HA SER A 25 -2.560 -6.729 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.445 -8.119 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.813 -8.652 -6.146 1.00 0.00 H new ATOM 0 HG SER A 25 -4.192 -10.409 -5.503 1.00 0.00 H new ATOM 248 N ASN A 26 -3.980 -7.236 -2.086 1.00 0.00 N ATOM 249 CA ASN A 26 -4.901 -6.624 -1.140 1.00 0.00 C ATOM 250 C ASN A 26 -4.499 -5.173 -0.933 1.00 0.00 C ATOM 251 O ASN A 26 -5.299 -4.342 -0.502 1.00 0.00 O ATOM 252 CB ASN A 26 -4.919 -7.360 0.204 1.00 0.00 C ATOM 253 CG ASN A 26 -3.604 -7.268 0.956 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.528 -7.293 0.366 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.687 -7.146 2.269 1.00 0.00 N ATOM 0 H ASN A 26 -3.225 -7.773 -1.659 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.908 -6.685 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.714 -6.948 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.159 -8.409 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.838 -7.069 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.600 -7.129 2.723 1.00 0.00 H new ATOM 262 N ILE A 27 -3.238 -4.881 -1.235 1.00 0.00 N ATOM 263 CA ILE A 27 -2.769 -3.513 -1.272 1.00 0.00 C ATOM 264 C ILE A 27 -3.314 -2.879 -2.541 1.00 0.00 C ATOM 265 O ILE A 27 -3.476 -3.567 -3.548 1.00 0.00 O ATOM 266 CB ILE A 27 -1.227 -3.402 -1.299 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.550 -4.569 -0.571 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.792 -2.071 -0.702 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.920 -4.342 -0.306 1.00 0.00 C ATOM 0 H ILE A 27 -2.527 -5.578 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.113 -3.013 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.909 -3.451 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.060 -4.740 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.668 -5.475 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.295 -2.000 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.221 -1.254 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.139 -2.004 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.334 -5.207 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.443 -4.200 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.045 -3.454 0.314 1.00 0.00 H new ATOM 281 N THR A 28 -3.602 -1.594 -2.512 1.00 0.00 N ATOM 282 CA THR A 28 -4.188 -0.942 -3.670 1.00 0.00 C ATOM 283 C THR A 28 -3.627 0.454 -3.845 1.00 0.00 C ATOM 284 O THR A 28 -3.504 1.207 -2.878 1.00 0.00 O ATOM 285 CB THR A 28 -5.726 -0.877 -3.565 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.122 -0.596 -2.216 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.362 -2.181 -4.022 1.00 0.00 C ATOM 0 H THR A 28 -3.443 -0.984 -1.710 1.00 0.00 H new ATOM 0 HA THR A 28 -3.929 -1.541 -4.543 1.00 0.00 H new ATOM 0 HB THR A 28 -6.071 -0.075 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.352 -0.706 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.446 -2.106 -3.937 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.092 -2.373 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.005 -2.999 -3.396 1.00 0.00 H new ATOM 295 N LEU A 29 -3.270 0.788 -5.071 1.00 0.00 N ATOM 296 CA LEU A 29 -2.703 2.088 -5.357 1.00 0.00 C ATOM 297 C LEU A 29 -3.820 3.060 -5.705 1.00 0.00 C ATOM 298 O LEU A 29 -4.305 3.110 -6.837 1.00 0.00 O ATOM 299 CB LEU A 29 -1.669 1.988 -6.477 1.00 0.00 C ATOM 300 CG LEU A 29 -0.485 2.950 -6.348 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.630 2.537 -7.285 1.00 0.00 C ATOM 302 CD2 LEU A 29 -0.908 4.376 -6.649 1.00 0.00 C ATOM 0 H LEU A 29 -3.363 0.177 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.184 2.463 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.287 0.967 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.167 2.173 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.125 2.906 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.466 3.229 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.961 1.529 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.267 2.555 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.048 5.039 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.296 4.434 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.684 4.681 -5.947 1.00 0.00 H new ATOM 314 N GLU A 30 -4.219 3.812 -4.704 1.00 0.00 N ATOM 315 CA GLU A 30 -5.351 4.715 -4.799 1.00 0.00 C ATOM 316 C GLU A 30 -4.850 6.144 -4.928 1.00 0.00 C ATOM 317 O GLU A 30 -3.694 6.424 -4.603 1.00 0.00 O ATOM 318 CB GLU A 30 -6.226 4.595 -3.549 1.00 0.00 C ATOM 319 CG GLU A 30 -6.666 3.174 -3.230 1.00 0.00 C ATOM 320 CD GLU A 30 -7.849 2.712 -4.051 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.953 3.272 -3.870 1.00 0.00 O ATOM 322 OE2 GLU A 30 -7.702 1.755 -4.837 1.00 0.00 O ATOM 0 H GLU A 30 -3.764 3.816 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.943 4.452 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.678 4.994 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.112 5.217 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.829 2.496 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.920 3.109 -2.172 1.00 0.00 H new ATOM 329 N ASP A 31 -5.720 7.037 -5.390 1.00 0.00 N ATOM 330 CA ASP A 31 -5.378 8.453 -5.554 1.00 0.00 C ATOM 331 C ASP A 31 -4.164 8.637 -6.444 1.00 0.00 C ATOM 332 O ASP A 31 -3.421 9.601 -6.293 1.00 0.00 O ATOM 333 CB ASP A 31 -5.135 9.127 -4.201 1.00 0.00 C ATOM 334 CG ASP A 31 -6.402 9.694 -3.600 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.118 8.949 -2.908 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.692 10.887 -3.829 1.00 0.00 O ATOM 0 H ASP A 31 -6.676 6.806 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.232 8.929 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.702 8.403 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.405 9.927 -4.323 1.00 0.00 H new ATOM 341 N ASP A 32 -3.989 7.724 -7.391 1.00 0.00 N ATOM 342 CA ASP A 32 -2.840 7.738 -8.268 1.00 0.00 C ATOM 343 C ASP A 32 -2.916 8.885 -9.263 1.00 0.00 C ATOM 344 O ASP A 32 -3.500 8.777 -10.340 1.00 0.00 O ATOM 345 CB ASP A 32 -2.678 6.392 -8.979 1.00 0.00 C ATOM 346 CG ASP A 32 -3.924 5.895 -9.699 1.00 0.00 C ATOM 347 OD1 ASP A 32 -5.054 6.158 -9.229 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.773 5.186 -10.716 1.00 0.00 O ATOM 0 H ASP A 32 -4.640 6.959 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.954 7.899 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.867 6.475 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.377 5.644 -8.246 1.00 0.00 H new ATOM 353 N GLN A 33 -2.353 10.003 -8.856 1.00 0.00 N ATOM 354 CA GLN A 33 -2.290 11.191 -9.685 1.00 0.00 C ATOM 355 C GLN A 33 -0.841 11.457 -10.082 1.00 0.00 C ATOM 356 O GLN A 33 -0.555 12.204 -11.019 1.00 0.00 O ATOM 357 CB GLN A 33 -2.902 12.369 -8.902 1.00 0.00 C ATOM 358 CG GLN A 33 -2.731 13.744 -9.537 1.00 0.00 C ATOM 359 CD GLN A 33 -1.434 14.418 -9.127 1.00 0.00 C ATOM 360 OE1 GLN A 33 -0.919 14.180 -8.036 1.00 0.00 O ATOM 361 NE2 GLN A 33 -0.898 15.264 -9.993 1.00 0.00 N ATOM 0 H GLN A 33 -1.924 10.115 -7.937 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.861 11.057 -10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.967 12.180 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.457 12.391 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.758 13.645 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.571 14.378 -9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.355 15.435 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.028 15.744 -9.765 1.00 0.00 H new ATOM 370 N GLY A 34 0.073 10.809 -9.380 1.00 0.00 N ATOM 371 CA GLY A 34 1.482 11.055 -9.598 1.00 0.00 C ATOM 372 C GLY A 34 2.122 11.706 -8.395 1.00 0.00 C ATOM 373 O GLY A 34 2.794 11.045 -7.605 1.00 0.00 O ATOM 0 H GLY A 34 -0.135 10.116 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.987 10.114 -9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.610 11.695 -10.471 1.00 0.00 H new ATOM 377 N SER A 35 1.916 13.010 -8.262 1.00 0.00 N ATOM 378 CA SER A 35 2.396 13.748 -7.105 1.00 0.00 C ATOM 379 C SER A 35 1.715 13.228 -5.844 1.00 0.00 C ATOM 380 O SER A 35 2.295 13.219 -4.758 1.00 0.00 O ATOM 381 CB SER A 35 2.105 15.234 -7.291 1.00 0.00 C ATOM 382 OG SER A 35 2.538 15.675 -8.571 1.00 0.00 O ATOM 0 H SER A 35 1.417 13.579 -8.946 1.00 0.00 H new ATOM 0 HA SER A 35 3.472 13.609 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.036 15.417 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.609 15.808 -6.514 1.00 0.00 H new ATOM 0 HG SER A 35 2.341 16.630 -8.672 1.00 0.00 H new ATOM 388 N HIS A 36 0.471 12.805 -6.000 1.00 0.00 N ATOM 389 CA HIS A 36 -0.261 12.161 -4.925 1.00 0.00 C ATOM 390 C HIS A 36 -0.573 10.724 -5.300 1.00 0.00 C ATOM 391 O HIS A 36 -0.845 10.430 -6.465 1.00 0.00 O ATOM 392 CB HIS A 36 -1.569 12.900 -4.620 1.00 0.00 C ATOM 393 CG HIS A 36 -1.383 14.265 -4.033 1.00 0.00 C ATOM 394 ND1 HIS A 36 -2.408 15.179 -3.917 1.00 0.00 N ATOM 395 CD2 HIS A 36 -0.289 14.861 -3.502 1.00 0.00 C ATOM 396 CE1 HIS A 36 -1.951 16.275 -3.345 1.00 0.00 C ATOM 397 NE2 HIS A 36 -0.672 16.105 -3.083 1.00 0.00 N ATOM 0 H HIS A 36 -0.055 12.898 -6.869 1.00 0.00 H new ATOM 0 HA HIS A 36 0.366 12.185 -4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.146 12.989 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.160 12.298 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.700 14.434 -3.424 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.528 17.162 -3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.063 16.792 -2.638 1.00 0.00 H new ATOM 406 N PHE A 37 -0.483 9.843 -4.313 1.00 0.00 N ATOM 407 CA PHE A 37 -0.948 8.466 -4.434 1.00 0.00 C ATOM 408 C PHE A 37 -0.780 7.759 -3.098 1.00 0.00 C ATOM 409 O PHE A 37 0.152 8.058 -2.345 1.00 0.00 O ATOM 410 CB PHE A 37 -0.228 7.695 -5.557 1.00 0.00 C ATOM 411 CG PHE A 37 1.257 7.521 -5.379 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.141 8.489 -5.827 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.769 6.375 -4.794 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.505 8.320 -5.689 1.00 0.00 C ATOM 415 CE2 PHE A 37 3.132 6.198 -4.657 1.00 0.00 C ATOM 416 CZ PHE A 37 4.001 7.172 -5.105 1.00 0.00 C ATOM 0 H PHE A 37 -0.083 10.064 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.003 8.491 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.683 6.709 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.404 8.213 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.759 9.387 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.094 5.610 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.183 9.085 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.517 5.299 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.067 7.036 -4.999 1.00 0.00 H new ATOM 426 N ARG A 38 -1.704 6.866 -2.785 1.00 0.00 N ATOM 427 CA ARG A 38 -1.677 6.147 -1.515 1.00 0.00 C ATOM 428 C ARG A 38 -1.892 4.656 -1.724 1.00 0.00 C ATOM 429 O ARG A 38 -2.571 4.243 -2.658 1.00 0.00 O ATOM 430 CB ARG A 38 -2.762 6.693 -0.583 1.00 0.00 C ATOM 431 CG ARG A 38 -4.143 6.698 -1.219 1.00 0.00 C ATOM 432 CD ARG A 38 -5.209 7.202 -0.264 1.00 0.00 C ATOM 433 NE ARG A 38 -6.494 7.380 -0.940 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.620 6.758 -0.599 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.637 5.929 0.432 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.730 6.969 -1.294 1.00 0.00 N ATOM 0 H ARG A 38 -2.485 6.619 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.696 6.295 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.789 6.092 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.501 7.709 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.129 7.326 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.396 5.689 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.324 6.497 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.891 8.150 0.171 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.529 8.026 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.785 5.765 0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.502 5.454 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.720 7.608 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.593 6.493 -1.033 1.00 0.00 H new ATOM 450 N LEU A 39 -1.316 3.855 -0.845 1.00 0.00 N ATOM 451 CA LEU A 39 -1.548 2.425 -0.861 1.00 0.00 C ATOM 452 C LEU A 39 -2.508 2.054 0.249 1.00 0.00 C ATOM 453 O LEU A 39 -2.214 2.243 1.430 1.00 0.00 O ATOM 454 CB LEU A 39 -0.249 1.645 -0.699 1.00 0.00 C ATOM 455 CG LEU A 39 0.762 1.836 -1.823 1.00 0.00 C ATOM 456 CD1 LEU A 39 2.094 1.215 -1.442 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.238 1.225 -3.115 1.00 0.00 C ATOM 0 H LEU A 39 -0.683 4.173 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.978 2.164 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.217 1.937 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.487 0.584 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 39 0.911 2.904 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.808 1.358 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.472 1.692 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.960 0.149 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.971 1.369 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.066 0.159 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.698 1.709 -3.393 1.00 0.00 H new ATOM 469 N VAL A 40 -3.661 1.562 -0.136 1.00 0.00 N ATOM 470 CA VAL A 40 -4.654 1.122 0.823 1.00 0.00 C ATOM 471 C VAL A 40 -4.591 -0.386 0.974 1.00 0.00 C ATOM 472 O VAL A 40 -4.835 -1.126 0.025 1.00 0.00 O ATOM 473 CB VAL A 40 -6.082 1.541 0.413 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.095 1.123 1.471 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.150 3.039 0.178 1.00 0.00 C ATOM 0 H VAL A 40 -3.939 1.455 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.426 1.603 1.774 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.331 1.031 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.094 1.429 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.069 0.040 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.848 1.600 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.164 3.316 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.877 3.564 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.458 3.314 -0.618 1.00 0.00 H new ATOM 485 N VAL A 41 -4.231 -0.834 2.158 1.00 0.00 N ATOM 486 CA VAL A 41 -4.217 -2.249 2.460 1.00 0.00 C ATOM 487 C VAL A 41 -5.619 -2.685 2.840 1.00 0.00 C ATOM 488 O VAL A 41 -6.102 -2.376 3.934 1.00 0.00 O ATOM 489 CB VAL A 41 -3.255 -2.583 3.615 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.227 -4.080 3.858 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.856 -2.054 3.331 1.00 0.00 C ATOM 0 H VAL A 41 -3.943 -0.234 2.931 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.871 -2.779 1.573 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.618 -2.092 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.543 -4.303 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.228 -4.425 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.890 -4.589 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.197 -2.304 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.474 -2.508 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.894 -0.971 3.210 1.00 0.00 H new ATOM 501 N ARG A 42 -6.285 -3.369 1.929 1.00 0.00 N ATOM 502 CA ARG A 42 -7.649 -3.786 2.163 1.00 0.00 C ATOM 503 C ARG A 42 -7.719 -5.254 2.537 1.00 0.00 C ATOM 504 O ARG A 42 -6.767 -6.013 2.352 1.00 0.00 O ATOM 505 CB ARG A 42 -8.526 -3.512 0.938 1.00 0.00 C ATOM 506 CG ARG A 42 -8.620 -2.037 0.590 1.00 0.00 C ATOM 507 CD ARG A 42 -9.378 -1.796 -0.704 1.00 0.00 C ATOM 508 NE ARG A 42 -9.763 -0.389 -0.839 1.00 0.00 N ATOM 509 CZ ARG A 42 -9.514 0.364 -1.911 1.00 0.00 C ATOM 510 NH1 ARG A 42 -8.864 -0.142 -2.949 1.00 0.00 N ATOM 511 NH2 ARG A 42 -9.913 1.632 -1.938 1.00 0.00 N ATOM 0 H ARG A 42 -5.903 -3.645 1.024 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.029 -3.200 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.125 -4.056 0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.528 -3.900 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.115 -1.505 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.616 -1.622 0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.758 -2.089 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.269 -2.423 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.256 0.045 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.551 -1.113 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.677 0.439 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.409 2.028 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.723 2.209 -2.757 1.00 0.00 H new ATOM 525 N ASP A 43 -8.853 -5.623 3.083 1.00 0.00 N ATOM 526 CA ASP A 43 -9.128 -6.994 3.467 1.00 0.00 C ATOM 527 C ASP A 43 -9.756 -7.733 2.293 1.00 0.00 C ATOM 528 O ASP A 43 -10.018 -7.134 1.252 1.00 0.00 O ATOM 529 CB ASP A 43 -10.030 -6.986 4.713 1.00 0.00 C ATOM 530 CG ASP A 43 -10.737 -8.294 4.977 1.00 0.00 C ATOM 531 OD1 ASP A 43 -10.073 -9.263 5.383 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.964 -8.363 4.748 1.00 0.00 O ATOM 0 H ASP A 43 -9.619 -4.978 3.276 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.210 -7.522 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.425 -6.731 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.776 -6.199 4.602 1.00 0.00 H new ATOM 537 N THR A 44 -9.994 -9.019 2.456 1.00 0.00 N ATOM 538 CA THR A 44 -10.484 -9.846 1.371 1.00 0.00 C ATOM 539 C THR A 44 -11.909 -9.453 0.972 1.00 0.00 C ATOM 540 O THR A 44 -12.371 -9.778 -0.123 1.00 0.00 O ATOM 541 CB THR A 44 -10.442 -11.331 1.758 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.588 -11.511 2.897 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.915 -12.161 0.603 1.00 0.00 C ATOM 0 H THR A 44 -9.855 -9.517 3.335 1.00 0.00 H new ATOM 0 HA THR A 44 -9.830 -9.684 0.514 1.00 0.00 H new ATOM 0 HB THR A 44 -11.453 -11.657 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.565 -12.460 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.891 -13.212 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.567 -12.037 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.908 -11.831 0.348 1.00 0.00 H new ATOM 551 N GLU A 45 -12.604 -8.750 1.867 1.00 0.00 N ATOM 552 CA GLU A 45 -13.933 -8.235 1.564 1.00 0.00 C ATOM 553 C GLU A 45 -13.832 -6.800 1.032 1.00 0.00 C ATOM 554 O GLU A 45 -14.833 -6.166 0.701 1.00 0.00 O ATOM 555 CB GLU A 45 -14.815 -8.285 2.818 1.00 0.00 C ATOM 556 CG GLU A 45 -16.294 -8.067 2.533 1.00 0.00 C ATOM 557 CD GLU A 45 -17.145 -8.089 3.784 1.00 0.00 C ATOM 558 OE1 GLU A 45 -17.422 -9.194 4.298 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.545 -7.002 4.251 1.00 0.00 O ATOM 0 H GLU A 45 -12.267 -8.527 2.804 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.390 -8.858 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.686 -9.252 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.474 -7.526 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.424 -7.110 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.644 -8.839 1.848 1.00 0.00 H new ATOM 566 N GLY A 46 -12.604 -6.297 0.948 1.00 0.00 N ATOM 567 CA GLY A 46 -12.374 -4.948 0.463 1.00 0.00 C ATOM 568 C GLY A 46 -12.414 -3.919 1.575 1.00 0.00 C ATOM 569 O GLY A 46 -12.392 -2.713 1.318 1.00 0.00 O ATOM 0 H GLY A 46 -11.758 -6.804 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.405 -4.904 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.127 -4.700 -0.285 1.00 0.00 H new ATOM 573 N ARG A 47 -12.472 -4.398 2.811 1.00 0.00 N ATOM 574 CA ARG A 47 -12.470 -3.533 3.980 1.00 0.00 C ATOM 575 C ARG A 47 -11.191 -2.713 4.042 1.00 0.00 C ATOM 576 O ARG A 47 -10.100 -3.251 3.861 1.00 0.00 O ATOM 577 CB ARG A 47 -12.603 -4.375 5.248 1.00 0.00 C ATOM 578 CG ARG A 47 -14.009 -4.889 5.505 1.00 0.00 C ATOM 579 CD ARG A 47 -14.033 -5.874 6.662 1.00 0.00 C ATOM 580 NE ARG A 47 -15.374 -6.024 7.225 1.00 0.00 N ATOM 581 CZ ARG A 47 -15.991 -7.188 7.416 1.00 0.00 C ATOM 582 NH1 ARG A 47 -15.423 -8.326 7.035 1.00 0.00 N ATOM 583 NH2 ARG A 47 -17.185 -7.206 7.993 1.00 0.00 N ATOM 0 H ARG A 47 -12.522 -5.393 3.029 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.317 -2.851 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.924 -5.225 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.284 -3.779 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.671 -4.051 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.392 -5.371 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.673 -6.844 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.349 -5.536 7.440 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.873 -5.175 7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.505 -8.314 6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.905 -9.212 7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.623 -6.333 8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.665 -8.093 8.143 1.00 0.00 H new ATOM 597 N MET A 48 -11.327 -1.416 4.285 1.00 0.00 N ATOM 598 CA MET A 48 -10.164 -0.542 4.402 1.00 0.00 C ATOM 599 C MET A 48 -9.499 -0.770 5.750 1.00 0.00 C ATOM 600 O MET A 48 -9.934 -0.227 6.767 1.00 0.00 O ATOM 601 CB MET A 48 -10.556 0.933 4.282 1.00 0.00 C ATOM 602 CG MET A 48 -11.637 1.215 3.249 1.00 0.00 C ATOM 603 SD MET A 48 -11.101 0.906 1.557 1.00 0.00 S ATOM 604 CE MET A 48 -12.632 1.208 0.675 1.00 0.00 C ATOM 0 H MET A 48 -12.225 -0.947 4.405 1.00 0.00 H new ATOM 0 HA MET A 48 -9.478 -0.781 3.590 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.900 1.285 5.255 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.668 1.513 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.508 0.596 3.466 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.954 2.254 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.472 1.059 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.397 0.517 1.028 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.959 2.233 0.853 1.00 0.00 H new ATOM 614 N VAL A 49 -8.462 -1.589 5.762 1.00 0.00 N ATOM 615 CA VAL A 49 -7.805 -1.956 7.004 1.00 0.00 C ATOM 616 C VAL A 49 -6.773 -0.902 7.396 1.00 0.00 C ATOM 617 O VAL A 49 -6.630 -0.559 8.571 1.00 0.00 O ATOM 618 CB VAL A 49 -7.119 -3.335 6.884 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.721 -3.864 8.249 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.022 -4.329 6.175 1.00 0.00 C ATOM 0 H VAL A 49 -8.057 -2.012 4.927 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.570 -2.014 7.778 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.215 -3.206 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.240 -4.836 8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.027 -3.168 8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.609 -3.969 8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.517 -5.292 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.948 -4.446 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.251 -3.963 5.174 1.00 0.00 H new ATOM 630 N TRP A 50 -6.072 -0.381 6.397 1.00 0.00 N ATOM 631 CA TRP A 50 -5.036 0.619 6.615 1.00 0.00 C ATOM 632 C TRP A 50 -4.658 1.265 5.288 1.00 0.00 C ATOM 633 O TRP A 50 -4.828 0.658 4.235 1.00 0.00 O ATOM 634 CB TRP A 50 -3.802 -0.024 7.269 1.00 0.00 C ATOM 635 CG TRP A 50 -2.639 0.912 7.419 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.446 0.851 6.758 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.560 2.056 8.279 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.635 1.887 7.149 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.293 2.638 8.085 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.438 2.642 9.193 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.885 3.777 8.772 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.033 3.774 9.873 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.765 4.332 9.659 1.00 0.00 C ATOM 0 H TRP A 50 -6.205 -0.638 5.419 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.419 1.387 7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.080 -0.404 8.252 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.492 -0.882 6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.179 0.097 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.306 2.068 6.799 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.416 2.218 9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.092 4.207 8.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.704 4.237 10.581 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.478 5.218 10.206 1.00 0.00 H new ATOM 654 N ARG A 51 -4.168 2.497 5.334 1.00 0.00 N ATOM 655 CA ARG A 51 -3.716 3.183 4.135 1.00 0.00 C ATOM 656 C ARG A 51 -2.633 4.199 4.460 1.00 0.00 C ATOM 657 O ARG A 51 -2.616 4.784 5.543 1.00 0.00 O ATOM 658 CB ARG A 51 -4.881 3.861 3.412 1.00 0.00 C ATOM 659 CG ARG A 51 -5.885 4.543 4.324 1.00 0.00 C ATOM 660 CD ARG A 51 -6.880 5.342 3.506 1.00 0.00 C ATOM 661 NE ARG A 51 -8.134 5.592 4.211 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.809 6.738 4.134 1.00 0.00 C ATOM 663 NH1 ARG A 51 -8.249 7.803 3.573 1.00 0.00 N ATOM 664 NH2 ARG A 51 -10.025 6.833 4.656 1.00 0.00 N ATOM 0 H ARG A 51 -4.074 3.041 6.192 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.292 2.431 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.479 4.601 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.403 3.114 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.410 3.797 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.365 5.201 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.430 6.295 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.091 4.808 2.580 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.515 4.847 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.301 7.744 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.767 8.680 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.446 6.027 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.539 7.712 4.595 1.00 0.00 H new ATOM 678 N ALA A 52 -1.723 4.391 3.518 1.00 0.00 N ATOM 679 CA ALA A 52 -0.632 5.337 3.682 1.00 0.00 C ATOM 680 C ALA A 52 -0.240 5.924 2.335 1.00 0.00 C ATOM 681 O ALA A 52 -0.269 5.230 1.316 1.00 0.00 O ATOM 682 CB ALA A 52 0.562 4.661 4.339 1.00 0.00 C ATOM 0 H ALA A 52 -1.720 3.899 2.624 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.966 6.148 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.371 5.383 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.272 4.281 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.901 3.834 3.715 1.00 0.00 H new ATOM 688 N TRP A 53 0.111 7.204 2.327 1.00 0.00 N ATOM 689 CA TRP A 53 0.480 7.885 1.102 1.00 0.00 C ATOM 690 C TRP A 53 1.959 7.737 0.807 1.00 0.00 C ATOM 691 O TRP A 53 2.694 7.022 1.485 1.00 0.00 O ATOM 692 CB TRP A 53 0.176 9.376 1.202 1.00 0.00 C ATOM 693 CG TRP A 53 -1.233 9.697 1.470 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.812 9.696 2.675 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.227 10.096 0.526 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.122 10.062 2.563 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.406 10.313 1.248 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.236 10.285 -0.858 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.592 10.713 0.641 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.412 10.683 -1.465 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.576 10.894 -0.716 1.00 0.00 C ATOM 0 H TRP A 53 0.146 7.790 3.161 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.103 7.427 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.790 9.806 1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.474 9.857 0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.316 9.443 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.784 10.137 3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.342 10.123 -1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.491 10.875 1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.434 10.834 -2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.479 11.206 -1.219 1.00 0.00 H new ATOM 712 N ASN A 54 2.370 8.483 -0.189 1.00 0.00 N ATOM 713 CA ASN A 54 3.754 8.531 -0.633 1.00 0.00 C ATOM 714 C ASN A 54 4.547 9.488 0.249 1.00 0.00 C ATOM 715 O ASN A 54 5.706 9.241 0.574 1.00 0.00 O ATOM 716 CB ASN A 54 3.795 8.986 -2.097 1.00 0.00 C ATOM 717 CG ASN A 54 5.180 9.353 -2.605 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.331 10.312 -3.358 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.190 8.578 -2.245 1.00 0.00 N ATOM 0 H ASN A 54 1.747 9.086 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 54 4.203 7.541 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.391 8.190 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.138 9.848 -2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.129 8.769 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.030 7.790 -1.618 1.00 0.00 H new ATOM 726 N PHE A 55 3.891 10.564 0.673 1.00 0.00 N ATOM 727 CA PHE A 55 4.541 11.582 1.487 1.00 0.00 C ATOM 728 C PHE A 55 4.453 11.253 2.979 1.00 0.00 C ATOM 729 O PHE A 55 4.656 12.118 3.832 1.00 0.00 O ATOM 730 CB PHE A 55 3.941 12.969 1.201 1.00 0.00 C ATOM 731 CG PHE A 55 2.439 13.042 1.283 1.00 0.00 C ATOM 732 CD1 PHE A 55 1.807 13.258 2.498 1.00 0.00 C ATOM 733 CD2 PHE A 55 1.660 12.910 0.143 1.00 0.00 C ATOM 734 CE1 PHE A 55 0.429 13.337 2.575 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.282 12.992 0.214 1.00 0.00 C ATOM 736 CZ PHE A 55 -0.335 13.206 1.431 1.00 0.00 C ATOM 0 H PHE A 55 2.910 10.752 0.466 1.00 0.00 H new ATOM 0 HA PHE A 55 5.596 11.596 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.364 13.684 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.251 13.284 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.398 13.366 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.136 12.741 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.050 13.501 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.312 12.889 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.412 13.271 1.488 1.00 0.00 H new ATOM 746 N GLU A 56 4.165 9.996 3.291 1.00 0.00 N ATOM 747 CA GLU A 56 4.142 9.535 4.671 1.00 0.00 C ATOM 748 C GLU A 56 5.554 9.140 5.108 1.00 0.00 C ATOM 749 O GLU A 56 6.141 8.204 4.557 1.00 0.00 O ATOM 750 CB GLU A 56 3.179 8.356 4.821 1.00 0.00 C ATOM 751 CG GLU A 56 1.715 8.737 4.665 1.00 0.00 C ATOM 752 CD GLU A 56 1.186 9.523 5.845 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.313 10.765 5.849 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.636 8.898 6.774 1.00 0.00 O ATOM 0 H GLU A 56 3.943 9.276 2.603 1.00 0.00 H new ATOM 0 HA GLU A 56 3.791 10.344 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.429 7.598 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.324 7.902 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.592 9.327 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.120 7.832 4.540 1.00 0.00 H new ATOM 761 N PRO A 57 6.101 9.857 6.111 1.00 0.00 N ATOM 762 CA PRO A 57 7.499 9.728 6.556 1.00 0.00 C ATOM 763 C PRO A 57 7.967 8.286 6.736 1.00 0.00 C ATOM 764 O PRO A 57 9.098 7.952 6.393 1.00 0.00 O ATOM 765 CB PRO A 57 7.532 10.469 7.903 1.00 0.00 C ATOM 766 CG PRO A 57 6.116 10.831 8.213 1.00 0.00 C ATOM 767 CD PRO A 57 5.391 10.869 6.901 1.00 0.00 C ATOM 0 HA PRO A 57 8.174 10.136 5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.953 9.837 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.157 11.360 7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.666 10.099 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.063 11.798 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.335 10.626 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.443 11.854 6.438 1.00 0.00 H new ATOM 775 N ASP A 58 7.110 7.435 7.276 1.00 0.00 N ATOM 776 CA ASP A 58 7.462 6.034 7.450 1.00 0.00 C ATOM 777 C ASP A 58 6.284 5.148 7.077 1.00 0.00 C ATOM 778 O ASP A 58 5.818 4.335 7.881 1.00 0.00 O ATOM 779 CB ASP A 58 7.892 5.753 8.891 1.00 0.00 C ATOM 780 CG ASP A 58 8.872 4.599 8.989 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.640 3.551 8.355 1.00 0.00 O ATOM 782 OD2 ASP A 58 9.885 4.741 9.710 1.00 0.00 O ATOM 0 H ASP A 58 6.175 7.685 7.599 1.00 0.00 H new ATOM 0 HA ASP A 58 8.301 5.810 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.347 6.649 9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.011 5.530 9.493 1.00 0.00 H new ATOM 787 N ALA A 59 5.797 5.323 5.852 1.00 0.00 N ATOM 788 CA ALA A 59 4.662 4.554 5.359 1.00 0.00 C ATOM 789 C ALA A 59 4.929 3.055 5.447 1.00 0.00 C ATOM 790 O ALA A 59 4.048 2.272 5.816 1.00 0.00 O ATOM 791 CB ALA A 59 4.361 4.948 3.926 1.00 0.00 C ATOM 0 H ALA A 59 6.173 5.993 5.182 1.00 0.00 H new ATOM 0 HA ALA A 59 3.799 4.777 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.512 4.371 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.123 6.011 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.232 4.746 3.303 1.00 0.00 H new ATOM 797 N GLY A 60 6.162 2.676 5.126 1.00 0.00 N ATOM 798 CA GLY A 60 6.554 1.280 5.102 1.00 0.00 C ATOM 799 C GLY A 60 6.391 0.571 6.427 1.00 0.00 C ATOM 800 O GLY A 60 6.077 -0.616 6.448 1.00 0.00 O ATOM 0 H GLY A 60 6.909 3.325 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.962 0.760 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.597 1.212 4.791 1.00 0.00 H new ATOM 804 N GLU A 61 6.583 1.282 7.534 1.00 0.00 N ATOM 805 CA GLU A 61 6.521 0.655 8.849 1.00 0.00 C ATOM 806 C GLU A 61 5.130 0.084 9.117 1.00 0.00 C ATOM 807 O GLU A 61 4.997 -1.042 9.600 1.00 0.00 O ATOM 808 CB GLU A 61 6.912 1.656 9.935 1.00 0.00 C ATOM 809 CG GLU A 61 7.036 1.039 11.313 1.00 0.00 C ATOM 810 CD GLU A 61 7.695 1.976 12.300 1.00 0.00 C ATOM 811 OE1 GLU A 61 7.021 2.900 12.797 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.900 1.798 12.581 1.00 0.00 O ATOM 0 H GLU A 61 6.781 2.283 7.547 1.00 0.00 H new ATOM 0 HA GLU A 61 7.232 -0.171 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.862 2.118 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.168 2.452 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.046 0.767 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.615 0.118 11.246 1.00 0.00 H new ATOM 819 N GLY A 62 4.098 0.844 8.768 1.00 0.00 N ATOM 820 CA GLY A 62 2.736 0.386 8.987 1.00 0.00 C ATOM 821 C GLY A 62 2.351 -0.702 8.008 1.00 0.00 C ATOM 822 O GLY A 62 1.717 -1.699 8.373 1.00 0.00 O ATOM 0 H GLY A 62 4.178 1.766 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.637 0.012 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.048 1.226 8.888 1.00 0.00 H new ATOM 826 N LEU A 63 2.757 -0.518 6.761 1.00 0.00 N ATOM 827 CA LEU A 63 2.454 -1.471 5.705 1.00 0.00 C ATOM 828 C LEU A 63 3.133 -2.812 5.972 1.00 0.00 C ATOM 829 O LEU A 63 2.473 -3.848 5.985 1.00 0.00 O ATOM 830 CB LEU A 63 2.881 -0.900 4.350 1.00 0.00 C ATOM 831 CG LEU A 63 2.254 0.452 3.996 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.839 0.990 2.704 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.745 0.330 3.881 1.00 0.00 C ATOM 0 H LEU A 63 3.301 0.289 6.455 1.00 0.00 H new ATOM 0 HA LEU A 63 1.378 -1.644 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.966 -0.795 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.624 -1.619 3.572 1.00 0.00 H new ATOM 0 HG LEU A 63 2.483 1.153 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.381 1.951 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.915 1.119 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.642 0.287 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.320 1.301 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.497 -0.389 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.334 -0.011 4.831 1.00 0.00 H new ATOM 845 N ASN A 64 4.443 -2.786 6.220 1.00 0.00 N ATOM 846 CA ASN A 64 5.200 -4.013 6.489 1.00 0.00 C ATOM 847 C ASN A 64 4.666 -4.724 7.726 1.00 0.00 C ATOM 848 O ASN A 64 4.698 -5.954 7.806 1.00 0.00 O ATOM 849 CB ASN A 64 6.691 -3.714 6.677 1.00 0.00 C ATOM 850 CG ASN A 64 7.396 -3.358 5.382 1.00 0.00 C ATOM 851 OD1 ASN A 64 7.014 -3.809 4.302 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.444 -2.555 5.484 1.00 0.00 N ATOM 0 H ASN A 64 5.002 -1.933 6.241 1.00 0.00 H new ATOM 0 HA ASN A 64 5.077 -4.664 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.804 -2.891 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.176 -4.583 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.966 -2.289 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.729 -2.202 6.398 1.00 0.00 H new ATOM 859 N ARG A 65 4.179 -3.941 8.686 1.00 0.00 N ATOM 860 CA ARG A 65 3.574 -4.489 9.894 1.00 0.00 C ATOM 861 C ARG A 65 2.442 -5.445 9.531 1.00 0.00 C ATOM 862 O ARG A 65 2.399 -6.583 10.002 1.00 0.00 O ATOM 863 CB ARG A 65 3.040 -3.362 10.783 1.00 0.00 C ATOM 864 CG ARG A 65 2.533 -3.831 12.136 1.00 0.00 C ATOM 865 CD ARG A 65 3.666 -4.373 12.994 1.00 0.00 C ATOM 866 NE ARG A 65 3.187 -4.857 14.285 1.00 0.00 N ATOM 867 CZ ARG A 65 3.879 -4.768 15.419 1.00 0.00 C ATOM 868 NH1 ARG A 65 5.061 -4.162 15.442 1.00 0.00 N ATOM 869 NH2 ARG A 65 3.383 -5.268 16.542 1.00 0.00 N ATOM 0 H ARG A 65 4.193 -2.922 8.649 1.00 0.00 H new ATOM 0 HA ARG A 65 4.339 -5.038 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.831 -2.629 10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.231 -2.853 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.048 -3.002 12.652 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.778 -4.605 11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.166 -5.184 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.408 -3.590 13.152 1.00 0.00 H new ATOM 0 HE ARG A 65 2.264 -5.291 14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.445 -3.760 14.587 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.585 -4.098 16.315 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.470 -5.722 16.538 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.915 -5.199 17.410 1.00 0.00 H new ATOM 883 N TYR A 66 1.537 -4.978 8.677 1.00 0.00 N ATOM 884 CA TYR A 66 0.414 -5.794 8.238 1.00 0.00 C ATOM 885 C TYR A 66 0.889 -6.883 7.276 1.00 0.00 C ATOM 886 O TYR A 66 0.469 -8.041 7.372 1.00 0.00 O ATOM 887 CB TYR A 66 -0.639 -4.908 7.564 1.00 0.00 C ATOM 888 CG TYR A 66 -1.863 -5.658 7.080 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.855 -6.322 5.861 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.025 -5.697 7.838 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.969 -7.003 5.407 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.147 -6.375 7.391 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.111 -7.028 6.176 1.00 0.00 C ATOM 894 OH TYR A 66 -5.223 -7.703 5.723 1.00 0.00 O ATOM 0 H TYR A 66 1.560 -4.040 8.277 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.033 -6.277 9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.954 -4.137 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.180 -4.398 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.961 -6.306 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.055 -5.191 8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.944 -7.512 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.045 -6.392 7.990 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.944 -7.626 6.383 1.00 0.00 H new ATOM 904 N ILE A 67 1.767 -6.494 6.355 1.00 0.00 N ATOM 905 CA ILE A 67 2.305 -7.394 5.333 1.00 0.00 C ATOM 906 C ILE A 67 2.824 -8.700 5.928 1.00 0.00 C ATOM 907 O ILE A 67 2.547 -9.781 5.406 1.00 0.00 O ATOM 908 CB ILE A 67 3.444 -6.701 4.544 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.867 -5.648 3.596 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.285 -7.712 3.772 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.921 -4.790 2.928 1.00 0.00 C ATOM 0 H ILE A 67 2.128 -5.542 6.295 1.00 0.00 H new ATOM 0 HA ILE A 67 1.482 -7.634 4.660 1.00 0.00 H new ATOM 0 HB ILE A 67 4.098 -6.209 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.277 -6.148 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.186 -5.004 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.074 -7.191 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.731 -8.422 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.652 -8.247 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.438 -4.067 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.496 -4.262 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.588 -5.423 2.343 1.00 0.00 H new ATOM 923 N ARG A 68 3.563 -8.598 7.020 1.00 0.00 N ATOM 924 CA ARG A 68 4.187 -9.767 7.621 1.00 0.00 C ATOM 925 C ARG A 68 3.160 -10.722 8.228 1.00 0.00 C ATOM 926 O ARG A 68 3.139 -11.909 7.898 1.00 0.00 O ATOM 927 CB ARG A 68 5.197 -9.351 8.692 1.00 0.00 C ATOM 928 CG ARG A 68 5.781 -10.539 9.436 1.00 0.00 C ATOM 929 CD ARG A 68 6.881 -10.132 10.405 1.00 0.00 C ATOM 930 NE ARG A 68 7.485 -11.302 11.041 1.00 0.00 N ATOM 931 CZ ARG A 68 8.686 -11.311 11.618 1.00 0.00 C ATOM 932 NH1 ARG A 68 9.414 -10.202 11.678 1.00 0.00 N ATOM 933 NH2 ARG A 68 9.157 -12.436 12.140 1.00 0.00 N ATOM 0 H ARG A 68 3.746 -7.721 7.508 1.00 0.00 H new ATOM 0 HA ARG A 68 4.703 -10.295 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.004 -8.787 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.712 -8.684 9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.987 -11.047 9.984 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.180 -11.254 8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.647 -9.568 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.471 -9.471 11.168 1.00 0.00 H new ATOM 0 HE ARG A 68 6.950 -12.171 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.055 -9.334 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.332 -10.218 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.600 -13.290 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.076 -12.447 12.583 1.00 0.00 H new ATOM 947 N THR A 69 2.308 -10.204 9.098 1.00 0.00 N ATOM 948 CA THR A 69 1.436 -11.056 9.896 1.00 0.00 C ATOM 949 C THR A 69 0.258 -11.601 9.089 1.00 0.00 C ATOM 950 O THR A 69 -0.163 -12.743 9.284 1.00 0.00 O ATOM 951 CB THR A 69 0.928 -10.318 11.160 1.00 0.00 C ATOM 952 OG1 THR A 69 0.127 -11.198 11.962 1.00 0.00 O ATOM 953 CG2 THR A 69 0.121 -9.076 10.796 1.00 0.00 C ATOM 0 H THR A 69 2.200 -9.204 9.270 1.00 0.00 H new ATOM 0 HA THR A 69 2.040 -11.907 10.210 1.00 0.00 H new ATOM 0 HB THR A 69 1.801 -10.001 11.730 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.187 -10.720 12.758 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.219 -8.583 11.707 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.747 -8.390 10.225 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.742 -9.366 10.196 1.00 0.00 H new ATOM 961 N SER A 70 -0.261 -10.804 8.176 1.00 0.00 N ATOM 962 CA SER A 70 -1.412 -11.219 7.393 1.00 0.00 C ATOM 963 C SER A 70 -0.969 -11.927 6.118 1.00 0.00 C ATOM 964 O SER A 70 -1.412 -13.038 5.832 1.00 0.00 O ATOM 965 CB SER A 70 -2.288 -10.013 7.068 1.00 0.00 C ATOM 966 OG SER A 70 -2.665 -9.333 8.255 1.00 0.00 O ATOM 0 H SER A 70 0.091 -9.872 7.958 1.00 0.00 H new ATOM 0 HA SER A 70 -1.999 -11.924 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.749 -9.333 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.179 -10.338 6.531 1.00 0.00 H new ATOM 0 HG SER A 70 -3.132 -8.503 8.022 1.00 0.00 H new ATOM 972 N GLY A 71 -0.067 -11.280 5.388 1.00 0.00 N ATOM 973 CA GLY A 71 0.468 -11.826 4.147 1.00 0.00 C ATOM 974 C GLY A 71 -0.585 -12.354 3.179 1.00 0.00 C ATOM 975 O GLY A 71 -0.853 -13.553 3.139 1.00 0.00 O ATOM 0 H GLY A 71 0.312 -10.367 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.048 -11.051 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.158 -12.634 4.389 1.00 0.00 H new ATOM 979 N ILE A 72 -1.150 -11.473 2.358 1.00 0.00 N ATOM 980 CA ILE A 72 -2.139 -11.887 1.361 1.00 0.00 C ATOM 981 C ILE A 72 -1.418 -12.470 0.126 1.00 0.00 C ATOM 982 O ILE A 72 -2.027 -12.874 -0.861 1.00 0.00 O ATOM 983 CB ILE A 72 -3.095 -10.695 1.017 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.217 -10.593 2.063 1.00 0.00 C ATOM 985 CG2 ILE A 72 -3.714 -10.797 -0.371 1.00 0.00 C ATOM 986 CD1 ILE A 72 -3.752 -10.250 3.462 1.00 0.00 C ATOM 0 H ILE A 72 -0.943 -10.474 2.361 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.771 -12.679 1.763 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.476 -9.798 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.931 -9.836 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.751 -11.542 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.365 -9.940 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.924 -10.810 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.297 -11.715 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.612 -10.200 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.063 -11.017 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.245 -9.285 3.451 1.00 0.00 H new ATOM 998 N ARG A 73 -0.097 -12.585 0.252 1.00 0.00 N ATOM 999 CA ARG A 73 0.772 -13.139 -0.794 1.00 0.00 C ATOM 1000 C ARG A 73 0.372 -14.559 -1.177 1.00 0.00 C ATOM 1001 O ARG A 73 0.786 -15.071 -2.215 1.00 0.00 O ATOM 1002 CB ARG A 73 2.208 -13.155 -0.297 1.00 0.00 C ATOM 1003 CG ARG A 73 2.396 -14.030 0.936 1.00 0.00 C ATOM 1004 CD ARG A 73 3.829 -14.020 1.449 1.00 0.00 C ATOM 1005 NE ARG A 73 3.991 -14.930 2.583 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.295 -16.227 2.458 1.00 0.00 C ATOM 1007 NH1 ARG A 73 4.573 -16.736 1.264 1.00 0.00 N ATOM 1008 NH2 ARG A 73 4.338 -17.012 3.526 1.00 0.00 N ATOM 0 H ARG A 73 0.408 -12.295 1.089 1.00 0.00 H new ATOM 0 HA ARG A 73 0.670 -12.507 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.860 -13.513 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.519 -12.136 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.729 -13.686 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.107 -15.054 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.507 -14.310 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.104 -13.009 1.749 1.00 0.00 H new ATOM 0 HE ARG A 73 3.865 -14.554 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.555 -16.138 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.804 -17.725 1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.139 -16.628 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.570 -18.000 3.424 1.00 0.00 H new