USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=14 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 66 TYR OH : rot 21:sc= 0.829 USER MOD Set 1.2: A 70 SER OG : rot -125:sc= 0.733 USER MOD Set 2.1: A 36 HIS : no HE2:sc= 0.469 K(o=-0.025,f=-5.8!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.494! C(o=-0.025!,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 16 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.87) USER MOD Single : A 18 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 21 THR OG1 : rot 61:sc= 0.951 USER MOD Single : A 22 THR OG1 : rot 28:sc= -0.211 USER MOD Single : A 23 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 26 ASN : amide:sc= -5.62! C(o=-5.6!,f=-9.6!) USER MOD Single : A 28 THR OG1 : rot -17:sc= -1.85! USER MOD Single : A 33 GLN : amide:sc= -0.568 K(o=-0.57,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -56:sc= 0.744 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 1.22 K(o=1.2,f=-0.13) USER MOD Single : A 69 THR OG1 : rot -30:sc= 0.274 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.218 3.203 5.044 1.00 0.00 N ATOM 2 CA GLY A 10 10.230 4.220 5.375 1.00 0.00 C ATOM 3 C GLY A 10 9.272 4.515 4.235 1.00 0.00 C ATOM 4 O GLY A 10 8.377 3.715 3.959 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.660 3.894 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.744 5.139 5.656 1.00 0.00 H new ATOM 8 N PRO A 11 9.416 5.676 3.571 1.00 0.00 N ATOM 9 CA PRO A 11 8.595 6.032 2.413 1.00 0.00 C ATOM 10 C PRO A 11 8.873 5.124 1.219 1.00 0.00 C ATOM 11 O PRO A 11 9.837 4.354 1.215 1.00 0.00 O ATOM 12 CB PRO A 11 9.009 7.474 2.092 1.00 0.00 C ATOM 13 CG PRO A 11 9.745 7.955 3.293 1.00 0.00 C ATOM 14 CD PRO A 11 10.380 6.738 3.893 1.00 0.00 C ATOM 0 HA PRO A 11 7.531 5.925 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.640 7.512 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.137 8.097 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.497 8.695 3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.069 8.433 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.361 6.539 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.521 6.844 4.969 1.00 0.00 H new ATOM 22 N PHE A 12 8.033 5.220 0.204 1.00 0.00 N ATOM 23 CA PHE A 12 8.186 4.389 -0.981 1.00 0.00 C ATOM 24 C PHE A 12 7.890 5.178 -2.248 1.00 0.00 C ATOM 25 O PHE A 12 7.308 6.265 -2.196 1.00 0.00 O ATOM 26 CB PHE A 12 7.281 3.157 -0.901 1.00 0.00 C ATOM 27 CG PHE A 12 5.825 3.468 -0.659 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.333 3.580 0.632 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.947 3.630 -1.719 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.998 3.849 0.859 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.611 3.902 -1.493 1.00 0.00 C ATOM 32 CZ PHE A 12 3.138 4.010 -0.204 1.00 0.00 C ATOM 0 H PHE A 12 7.241 5.862 0.174 1.00 0.00 H new ATOM 0 HA PHE A 12 9.224 4.057 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.370 2.595 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.639 2.509 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.002 3.455 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.311 3.543 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.628 3.933 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.938 4.030 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.094 4.221 -0.027 1.00 0.00 H new ATOM 42 N THR A 13 8.288 4.616 -3.379 1.00 0.00 N ATOM 43 CA THR A 13 8.108 5.263 -4.664 1.00 0.00 C ATOM 44 C THR A 13 6.950 4.625 -5.418 1.00 0.00 C ATOM 45 O THR A 13 6.349 3.658 -4.941 1.00 0.00 O ATOM 46 CB THR A 13 9.386 5.157 -5.526 1.00 0.00 C ATOM 47 OG1 THR A 13 9.553 3.822 -6.025 1.00 0.00 O ATOM 48 CG2 THR A 13 10.611 5.534 -4.715 1.00 0.00 C ATOM 0 H THR A 13 8.742 3.704 -3.430 1.00 0.00 H new ATOM 0 HA THR A 13 7.894 6.315 -4.476 1.00 0.00 H new ATOM 0 HB THR A 13 9.277 5.846 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.366 3.776 -6.570 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.500 5.453 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.510 6.559 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.704 4.861 -3.862 1.00 0.00 H new ATOM 56 N ARG A 14 6.662 5.158 -6.597 1.00 0.00 N ATOM 57 CA ARG A 14 5.608 4.634 -7.451 1.00 0.00 C ATOM 58 C ARG A 14 5.907 3.194 -7.830 1.00 0.00 C ATOM 59 O ARG A 14 5.095 2.296 -7.612 1.00 0.00 O ATOM 60 CB ARG A 14 5.502 5.480 -8.718 1.00 0.00 C ATOM 61 CG ARG A 14 4.299 5.145 -9.584 1.00 0.00 C ATOM 62 CD ARG A 14 4.268 6.005 -10.835 1.00 0.00 C ATOM 63 NE ARG A 14 3.146 5.671 -11.709 1.00 0.00 N ATOM 64 CZ ARG A 14 3.217 5.679 -13.039 1.00 0.00 C ATOM 65 NH1 ARG A 14 4.361 5.978 -13.647 1.00 0.00 N ATOM 66 NH2 ARG A 14 2.141 5.391 -13.761 1.00 0.00 N ATOM 0 H ARG A 14 7.151 5.964 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 14 4.665 4.671 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.453 6.532 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.409 5.349 -9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.331 4.092 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.383 5.296 -9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.204 7.055 -10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.202 5.880 -11.383 1.00 0.00 H new ATOM 0 HE ARG A 14 2.258 5.417 -11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.189 6.202 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.411 5.983 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.261 5.164 -13.297 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.194 5.397 -14.780 1.00 0.00 H new ATOM 80 N ARG A 15 7.089 2.988 -8.395 1.00 0.00 N ATOM 81 CA ARG A 15 7.501 1.669 -8.850 1.00 0.00 C ATOM 82 C ARG A 15 7.597 0.676 -7.691 1.00 0.00 C ATOM 83 O ARG A 15 7.257 -0.500 -7.845 1.00 0.00 O ATOM 84 CB ARG A 15 8.838 1.762 -9.575 1.00 0.00 C ATOM 85 CG ARG A 15 8.793 2.650 -10.803 1.00 0.00 C ATOM 86 CD ARG A 15 10.079 2.563 -11.604 1.00 0.00 C ATOM 87 NE ARG A 15 10.059 3.465 -12.746 1.00 0.00 N ATOM 88 CZ ARG A 15 10.106 3.061 -14.016 1.00 0.00 C ATOM 89 NH1 ARG A 15 10.151 1.764 -14.300 1.00 0.00 N ATOM 90 NH2 ARG A 15 10.090 3.949 -14.999 1.00 0.00 N ATOM 0 H ARG A 15 7.781 3.721 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 15 6.741 1.301 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.591 2.144 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.154 0.761 -9.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.952 2.359 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.622 3.683 -10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.926 2.806 -10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.225 1.540 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 15 10.006 4.467 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.150 1.077 -13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.187 1.456 -15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.042 4.945 -14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.126 3.636 -15.969 1.00 0.00 H new ATOM 104 N GLN A 16 8.061 1.153 -6.538 1.00 0.00 N ATOM 105 CA GLN A 16 8.148 0.315 -5.344 1.00 0.00 C ATOM 106 C GLN A 16 6.762 -0.139 -4.919 1.00 0.00 C ATOM 107 O GLN A 16 6.517 -1.332 -4.762 1.00 0.00 O ATOM 108 CB GLN A 16 8.835 1.069 -4.201 1.00 0.00 C ATOM 109 CG GLN A 16 10.338 1.205 -4.382 1.00 0.00 C ATOM 110 CD GLN A 16 11.056 -0.131 -4.342 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.626 -1.061 -3.663 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.152 -0.237 -5.075 1.00 0.00 N ATOM 0 H GLN A 16 8.382 2.112 -6.405 1.00 0.00 H new ATOM 0 HA GLN A 16 8.748 -0.563 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.396 2.063 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.635 0.551 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.542 1.694 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.737 1.851 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.477 0.558 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.673 -1.114 -5.090 1.00 0.00 H new ATOM 121 N ALA A 17 5.857 0.821 -4.756 1.00 0.00 N ATOM 122 CA ALA A 17 4.470 0.528 -4.387 1.00 0.00 C ATOM 123 C ALA A 17 3.845 -0.496 -5.330 1.00 0.00 C ATOM 124 O ALA A 17 3.177 -1.434 -4.890 1.00 0.00 O ATOM 125 CB ALA A 17 3.650 1.805 -4.401 1.00 0.00 C ATOM 0 H ALA A 17 6.058 1.814 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 17 4.473 0.105 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.620 1.579 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.069 2.514 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.671 2.240 -5.400 1.00 0.00 H new ATOM 131 N GLN A 18 4.078 -0.310 -6.625 1.00 0.00 N ATOM 132 CA GLN A 18 3.532 -1.187 -7.648 1.00 0.00 C ATOM 133 C GLN A 18 3.978 -2.635 -7.450 1.00 0.00 C ATOM 134 O GLN A 18 3.187 -3.564 -7.631 1.00 0.00 O ATOM 135 CB GLN A 18 3.948 -0.684 -9.027 1.00 0.00 C ATOM 136 CG GLN A 18 3.197 0.568 -9.464 1.00 0.00 C ATOM 137 CD GLN A 18 3.709 1.148 -10.770 1.00 0.00 C ATOM 138 OE1 GLN A 18 4.888 1.031 -11.097 1.00 0.00 O ATOM 139 NE2 GLN A 18 2.823 1.785 -11.524 1.00 0.00 N ATOM 0 H GLN A 18 4.649 0.451 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 18 2.445 -1.170 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.018 -0.474 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.781 -1.474 -9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.139 0.330 -9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.277 1.323 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.853 1.861 -11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.112 2.199 -12.410 1.00 0.00 H new ATOM 148 N ALA A 19 5.233 -2.820 -7.058 1.00 0.00 N ATOM 149 CA ALA A 19 5.783 -4.151 -6.826 1.00 0.00 C ATOM 150 C ALA A 19 5.151 -4.796 -5.593 1.00 0.00 C ATOM 151 O ALA A 19 5.041 -6.025 -5.493 1.00 0.00 O ATOM 152 CB ALA A 19 7.295 -4.075 -6.669 1.00 0.00 C ATOM 0 H ALA A 19 5.893 -2.060 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 19 5.550 -4.773 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.694 -5.075 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.735 -3.661 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.541 -3.435 -5.822 1.00 0.00 H new ATOM 158 N VAL A 20 4.706 -3.969 -4.662 1.00 0.00 N ATOM 159 CA VAL A 20 4.107 -4.479 -3.448 1.00 0.00 C ATOM 160 C VAL A 20 2.690 -4.952 -3.740 1.00 0.00 C ATOM 161 O VAL A 20 2.173 -5.829 -3.058 1.00 0.00 O ATOM 162 CB VAL A 20 4.092 -3.430 -2.318 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.844 -4.091 -0.970 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.394 -2.658 -2.283 1.00 0.00 C ATOM 0 H VAL A 20 4.749 -2.952 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 20 4.716 -5.314 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 20 3.278 -2.734 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.838 -3.332 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.882 -4.602 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.635 -4.813 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.360 -1.924 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.221 -3.347 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.539 -2.147 -3.235 1.00 0.00 H new ATOM 174 N THR A 21 2.077 -4.381 -4.772 1.00 0.00 N ATOM 175 CA THR A 21 0.755 -4.818 -5.209 1.00 0.00 C ATOM 176 C THR A 21 0.829 -6.070 -6.073 1.00 0.00 C ATOM 177 O THR A 21 -0.115 -6.856 -6.118 1.00 0.00 O ATOM 178 CB THR A 21 0.014 -3.720 -5.982 1.00 0.00 C ATOM 179 OG1 THR A 21 0.923 -2.677 -6.355 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.109 -3.159 -5.138 1.00 0.00 C ATOM 0 H THR A 21 2.473 -3.617 -5.320 1.00 0.00 H new ATOM 0 HA THR A 21 0.199 -5.046 -4.299 1.00 0.00 H new ATOM 0 HB THR A 21 -0.410 -4.153 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.620 -3.044 -6.938 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.629 -2.380 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.810 -3.956 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.699 -2.736 -4.221 1.00 0.00 H new ATOM 188 N THR A 22 1.941 -6.257 -6.769 1.00 0.00 N ATOM 189 CA THR A 22 2.152 -7.493 -7.499 1.00 0.00 C ATOM 190 C THR A 22 2.526 -8.604 -6.524 1.00 0.00 C ATOM 191 O THR A 22 2.506 -9.787 -6.861 1.00 0.00 O ATOM 192 CB THR A 22 3.228 -7.342 -8.593 1.00 0.00 C ATOM 193 OG1 THR A 22 4.332 -6.581 -8.097 1.00 0.00 O ATOM 194 CG2 THR A 22 2.661 -6.658 -9.827 1.00 0.00 C ATOM 0 H THR A 22 2.699 -5.579 -6.842 1.00 0.00 H new ATOM 0 HA THR A 22 1.221 -7.751 -8.004 1.00 0.00 H new ATOM 0 HB THR A 22 3.565 -8.341 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.400 -6.698 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.441 -6.565 -10.582 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.839 -7.252 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.296 -5.667 -9.558 1.00 0.00 H new ATOM 202 N THR A 23 2.879 -8.203 -5.308 1.00 0.00 N ATOM 203 CA THR A 23 3.070 -9.149 -4.227 1.00 0.00 C ATOM 204 C THR A 23 1.770 -9.329 -3.424 1.00 0.00 C ATOM 205 O THR A 23 1.340 -10.456 -3.179 1.00 0.00 O ATOM 206 CB THR A 23 4.212 -8.704 -3.295 1.00 0.00 C ATOM 207 OG1 THR A 23 5.366 -8.369 -4.078 1.00 0.00 O ATOM 208 CG2 THR A 23 4.582 -9.808 -2.315 1.00 0.00 C ATOM 0 H THR A 23 3.037 -7.229 -5.051 1.00 0.00 H new ATOM 0 HA THR A 23 3.343 -10.107 -4.670 1.00 0.00 H new ATOM 0 HB THR A 23 3.872 -7.836 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.220 -7.509 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.391 -9.466 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.714 -10.060 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.907 -10.690 -2.867 1.00 0.00 H new ATOM 216 N TYR A 24 1.148 -8.221 -3.007 1.00 0.00 N ATOM 217 CA TYR A 24 -0.111 -8.276 -2.295 1.00 0.00 C ATOM 218 C TYR A 24 -1.186 -7.540 -3.093 1.00 0.00 C ATOM 219 O TYR A 24 -1.196 -6.313 -3.151 1.00 0.00 O ATOM 220 CB TYR A 24 0.044 -7.634 -0.912 1.00 0.00 C ATOM 221 CG TYR A 24 1.212 -8.168 -0.112 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.090 -9.304 0.673 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.448 -7.533 -0.161 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.167 -9.794 1.386 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.528 -8.017 0.550 1.00 0.00 C ATOM 226 CZ TYR A 24 3.383 -9.148 1.319 1.00 0.00 C ATOM 227 OH TYR A 24 4.456 -9.638 2.026 1.00 0.00 O ATOM 0 H TYR A 24 1.506 -7.278 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.408 -9.317 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.163 -6.557 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.874 -7.791 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.139 -9.813 0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.565 -6.646 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.057 -10.680 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.481 -7.511 0.503 1.00 0.00 H new ATOM 0 HH TYR A 24 5.238 -9.068 1.870 1.00 0.00 H new ATOM 237 N SER A 25 -2.077 -8.287 -3.722 1.00 0.00 N ATOM 238 CA SER A 25 -3.142 -7.702 -4.519 1.00 0.00 C ATOM 239 C SER A 25 -4.255 -7.152 -3.630 1.00 0.00 C ATOM 240 O SER A 25 -5.237 -6.593 -4.115 1.00 0.00 O ATOM 241 CB SER A 25 -3.690 -8.754 -5.477 1.00 0.00 C ATOM 242 OG SER A 25 -3.989 -9.959 -4.790 1.00 0.00 O ATOM 0 H SER A 25 -2.084 -9.307 -3.696 1.00 0.00 H new ATOM 0 HA SER A 25 -2.737 -6.867 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.589 -8.375 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.961 -8.950 -6.263 1.00 0.00 H new ATOM 0 HG SER A 25 -4.341 -10.618 -5.424 1.00 0.00 H new ATOM 248 N ASN A 26 -4.094 -7.324 -2.323 1.00 0.00 N ATOM 249 CA ASN A 26 -5.031 -6.774 -1.359 1.00 0.00 C ATOM 250 C ASN A 26 -4.710 -5.307 -1.113 1.00 0.00 C ATOM 251 O ASN A 26 -5.469 -4.590 -0.467 1.00 0.00 O ATOM 252 CB ASN A 26 -4.981 -7.562 -0.047 1.00 0.00 C ATOM 253 CG ASN A 26 -3.651 -7.434 0.668 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.688 -8.120 0.333 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.598 -6.591 1.685 1.00 0.00 N ATOM 0 H ASN A 26 -3.319 -7.842 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.041 -6.854 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.777 -7.213 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.177 -8.614 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.736 -6.493 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.419 -6.038 1.933 1.00 0.00 H new ATOM 262 N ILE A 27 -3.569 -4.873 -1.629 1.00 0.00 N ATOM 263 CA ILE A 27 -3.199 -3.473 -1.577 1.00 0.00 C ATOM 264 C ILE A 27 -3.819 -2.762 -2.781 1.00 0.00 C ATOM 265 O ILE A 27 -4.102 -3.398 -3.795 1.00 0.00 O ATOM 266 CB ILE A 27 -1.667 -3.271 -1.611 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.931 -4.395 -0.874 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.301 -1.915 -1.027 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.539 -4.119 -0.661 1.00 0.00 C ATOM 0 H ILE A 27 -2.885 -5.474 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.567 -3.061 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.349 -3.303 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.406 -4.555 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.040 -5.321 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.219 -1.786 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.777 -1.127 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.644 -1.859 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.994 -4.957 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.028 -3.989 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.657 -3.211 -0.069 1.00 0.00 H new ATOM 281 N THR A 28 -4.033 -1.457 -2.683 1.00 0.00 N ATOM 282 CA THR A 28 -4.629 -0.713 -3.783 1.00 0.00 C ATOM 283 C THR A 28 -4.003 0.665 -3.919 1.00 0.00 C ATOM 284 O THR A 28 -3.984 1.445 -2.971 1.00 0.00 O ATOM 285 CB THR A 28 -6.160 -0.575 -3.626 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.508 -0.431 -2.245 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.881 -1.777 -4.215 1.00 0.00 C ATOM 0 H THR A 28 -3.805 -0.897 -1.862 1.00 0.00 H new ATOM 0 HA THR A 28 -4.429 -1.285 -4.689 1.00 0.00 H new ATOM 0 HB THR A 28 -6.473 0.316 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.758 -0.724 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.957 -1.653 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.646 -1.858 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.558 -2.683 -3.701 1.00 0.00 H new ATOM 295 N LEU A 29 -3.473 0.947 -5.098 1.00 0.00 N ATOM 296 CA LEU A 29 -2.868 2.240 -5.368 1.00 0.00 C ATOM 297 C LEU A 29 -3.933 3.201 -5.876 1.00 0.00 C ATOM 298 O LEU A 29 -4.399 3.088 -7.015 1.00 0.00 O ATOM 299 CB LEU A 29 -1.727 2.095 -6.390 1.00 0.00 C ATOM 300 CG LEU A 29 -0.740 3.273 -6.482 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.518 2.846 -7.219 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.362 4.467 -7.189 1.00 0.00 C ATOM 0 H LEU A 29 -3.450 0.297 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.443 2.640 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.163 1.194 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.167 1.940 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.486 3.571 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.208 3.687 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.992 2.024 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.257 2.520 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.637 5.280 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.652 4.181 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.243 4.797 -6.639 1.00 0.00 H new ATOM 314 N GLU A 30 -4.332 4.124 -5.021 1.00 0.00 N ATOM 315 CA GLU A 30 -5.329 5.115 -5.376 1.00 0.00 C ATOM 316 C GLU A 30 -4.788 6.507 -5.086 1.00 0.00 C ATOM 317 O GLU A 30 -3.734 6.646 -4.458 1.00 0.00 O ATOM 318 CB GLU A 30 -6.640 4.873 -4.613 1.00 0.00 C ATOM 319 CG GLU A 30 -7.214 3.480 -4.829 1.00 0.00 C ATOM 320 CD GLU A 30 -8.638 3.335 -4.325 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.829 2.978 -3.145 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.581 3.557 -5.122 1.00 0.00 O ATOM 0 H GLU A 30 -3.977 4.208 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.546 5.031 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.466 5.025 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.376 5.614 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.186 3.244 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.581 2.751 -4.324 1.00 0.00 H new ATOM 329 N ASP A 31 -5.496 7.524 -5.566 1.00 0.00 N ATOM 330 CA ASP A 31 -5.103 8.919 -5.358 1.00 0.00 C ATOM 331 C ASP A 31 -3.801 9.225 -6.079 1.00 0.00 C ATOM 332 O ASP A 31 -2.963 9.980 -5.583 1.00 0.00 O ATOM 333 CB ASP A 31 -4.972 9.251 -3.867 1.00 0.00 C ATOM 334 CG ASP A 31 -6.315 9.342 -3.174 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.057 8.338 -3.166 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.644 10.421 -2.634 1.00 0.00 O ATOM 0 H ASP A 31 -6.353 7.409 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.892 9.545 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.366 8.487 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.443 10.197 -3.754 1.00 0.00 H new ATOM 341 N ASP A 32 -3.645 8.645 -7.262 1.00 0.00 N ATOM 342 CA ASP A 32 -2.463 8.859 -8.068 1.00 0.00 C ATOM 343 C ASP A 32 -2.413 10.303 -8.564 1.00 0.00 C ATOM 344 O ASP A 32 -3.135 10.702 -9.479 1.00 0.00 O ATOM 345 CB ASP A 32 -2.415 7.856 -9.229 1.00 0.00 C ATOM 346 CG ASP A 32 -3.626 7.908 -10.144 1.00 0.00 C ATOM 347 OD1 ASP A 32 -4.756 7.641 -9.672 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.451 8.197 -11.347 1.00 0.00 O ATOM 0 H ASP A 32 -4.332 8.019 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.579 8.690 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.518 8.043 -9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.324 6.849 -8.822 1.00 0.00 H new ATOM 353 N GLN A 33 -1.574 11.090 -7.912 1.00 0.00 N ATOM 354 CA GLN A 33 -1.434 12.505 -8.213 1.00 0.00 C ATOM 355 C GLN A 33 -0.015 12.782 -8.704 1.00 0.00 C ATOM 356 O GLN A 33 0.533 13.869 -8.516 1.00 0.00 O ATOM 357 CB GLN A 33 -1.757 13.322 -6.954 1.00 0.00 C ATOM 358 CG GLN A 33 -1.950 14.810 -7.204 1.00 0.00 C ATOM 359 CD GLN A 33 -2.519 15.538 -5.997 1.00 0.00 C ATOM 360 OE1 GLN A 33 -3.206 16.549 -6.133 1.00 0.00 O ATOM 361 NE2 GLN A 33 -2.248 15.026 -4.806 1.00 0.00 N ATOM 0 H GLN A 33 -0.969 10.765 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.129 12.795 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.663 12.922 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.951 13.189 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.993 15.256 -7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.618 14.948 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.675 14.186 -4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.613 15.472 -3.964 1.00 0.00 H new ATOM 370 N GLY A 34 0.573 11.783 -9.346 1.00 0.00 N ATOM 371 CA GLY A 34 1.923 11.914 -9.850 1.00 0.00 C ATOM 372 C GLY A 34 2.939 11.334 -8.892 1.00 0.00 C ATOM 373 O GLY A 34 3.037 10.113 -8.745 1.00 0.00 O ATOM 0 H GLY A 34 0.136 10.880 -9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.002 11.409 -10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.146 12.967 -10.023 1.00 0.00 H new ATOM 377 N SER A 35 3.672 12.206 -8.219 1.00 0.00 N ATOM 378 CA SER A 35 4.688 11.784 -7.266 1.00 0.00 C ATOM 379 C SER A 35 4.058 11.448 -5.915 1.00 0.00 C ATOM 380 O SER A 35 4.747 11.048 -4.979 1.00 0.00 O ATOM 381 CB SER A 35 5.731 12.889 -7.097 1.00 0.00 C ATOM 382 OG SER A 35 6.212 13.331 -8.356 1.00 0.00 O ATOM 0 H SER A 35 3.582 13.217 -8.316 1.00 0.00 H new ATOM 0 HA SER A 35 5.173 10.887 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.293 13.728 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.562 12.521 -6.495 1.00 0.00 H new ATOM 0 HG SER A 35 6.876 14.039 -8.222 1.00 0.00 H new ATOM 388 N HIS A 36 2.746 11.625 -5.817 1.00 0.00 N ATOM 389 CA HIS A 36 2.028 11.331 -4.588 1.00 0.00 C ATOM 390 C HIS A 36 0.828 10.446 -4.868 1.00 0.00 C ATOM 391 O HIS A 36 0.179 10.578 -5.902 1.00 0.00 O ATOM 392 CB HIS A 36 1.578 12.615 -3.890 1.00 0.00 C ATOM 393 CG HIS A 36 2.704 13.401 -3.295 1.00 0.00 C ATOM 394 ND1 HIS A 36 3.808 12.812 -2.717 1.00 0.00 N ATOM 395 CD2 HIS A 36 2.896 14.735 -3.195 1.00 0.00 C ATOM 396 CE1 HIS A 36 4.628 13.752 -2.285 1.00 0.00 C ATOM 397 NE2 HIS A 36 4.098 14.930 -2.561 1.00 0.00 N ATOM 0 H HIS A 36 2.159 11.971 -6.576 1.00 0.00 H new ATOM 0 HA HIS A 36 2.711 10.801 -3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.048 13.242 -4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.868 12.361 -3.103 1.00 0.00 H new ATOM 0 HD1 HIS A 36 3.966 11.808 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.227 15.506 -3.549 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.573 13.586 -1.789 1.00 0.00 H new ATOM 406 N PHE A 37 0.563 9.541 -3.942 1.00 0.00 N ATOM 407 CA PHE A 37 -0.530 8.583 -4.045 1.00 0.00 C ATOM 408 C PHE A 37 -0.615 7.812 -2.736 1.00 0.00 C ATOM 409 O PHE A 37 0.271 7.946 -1.887 1.00 0.00 O ATOM 410 CB PHE A 37 -0.309 7.617 -5.218 1.00 0.00 C ATOM 411 CG PHE A 37 1.031 6.935 -5.193 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.223 5.769 -4.471 1.00 0.00 C ATOM 413 CD2 PHE A 37 2.101 7.472 -5.889 1.00 0.00 C ATOM 414 CE1 PHE A 37 2.456 5.153 -4.442 1.00 0.00 C ATOM 415 CE2 PHE A 37 3.337 6.861 -5.862 1.00 0.00 C ATOM 416 CZ PHE A 37 3.513 5.699 -5.137 1.00 0.00 C ATOM 0 H PHE A 37 1.107 9.448 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.463 9.115 -4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.093 6.860 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.410 8.166 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.398 5.337 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.966 8.379 -6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.593 4.244 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.165 7.290 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.480 5.218 -5.115 1.00 0.00 H new ATOM 426 N ARG A 38 -1.660 7.022 -2.563 1.00 0.00 N ATOM 427 CA ARG A 38 -1.805 6.235 -1.349 1.00 0.00 C ATOM 428 C ARG A 38 -2.038 4.768 -1.675 1.00 0.00 C ATOM 429 O ARG A 38 -2.565 4.427 -2.735 1.00 0.00 O ATOM 430 CB ARG A 38 -2.969 6.760 -0.501 1.00 0.00 C ATOM 431 CG ARG A 38 -4.311 6.637 -1.197 1.00 0.00 C ATOM 432 CD ARG A 38 -5.468 7.019 -0.297 1.00 0.00 C ATOM 433 NE ARG A 38 -6.734 6.923 -1.014 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.801 6.256 -0.590 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.811 5.696 0.613 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.868 6.171 -1.369 1.00 0.00 N ATOM 0 H ARG A 38 -2.414 6.908 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.878 6.327 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.002 6.211 0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.788 7.806 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.318 7.274 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.446 5.612 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.488 6.365 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.329 8.036 0.070 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.805 7.405 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.995 5.776 1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.635 5.185 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.866 6.616 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.692 5.661 -1.051 1.00 0.00 H new ATOM 450 N LEU A 39 -1.634 3.911 -0.754 1.00 0.00 N ATOM 451 CA LEU A 39 -1.905 2.492 -0.858 1.00 0.00 C ATOM 452 C LEU A 39 -2.890 2.080 0.216 1.00 0.00 C ATOM 453 O LEU A 39 -2.612 2.181 1.413 1.00 0.00 O ATOM 454 CB LEU A 39 -0.629 1.668 -0.725 1.00 0.00 C ATOM 455 CG LEU A 39 0.394 1.870 -1.836 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.682 1.143 -1.500 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.152 1.372 -3.163 1.00 0.00 C ATOM 0 H LEU A 39 -1.113 4.179 0.081 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.329 2.302 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.158 1.908 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.899 0.613 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 39 0.600 2.937 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.405 1.295 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.087 1.534 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.480 0.077 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.593 1.525 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.383 0.310 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.058 1.923 -3.414 1.00 0.00 H new ATOM 469 N VAL A 40 -4.048 1.644 -0.218 1.00 0.00 N ATOM 470 CA VAL A 40 -5.073 1.181 0.690 1.00 0.00 C ATOM 471 C VAL A 40 -4.929 -0.319 0.881 1.00 0.00 C ATOM 472 O VAL A 40 -5.095 -1.092 -0.060 1.00 0.00 O ATOM 473 CB VAL A 40 -6.484 1.501 0.165 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.504 1.419 1.289 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.517 2.869 -0.494 1.00 0.00 C ATOM 0 H VAL A 40 -4.307 1.600 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.946 1.699 1.641 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.745 0.757 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.495 1.648 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.503 0.413 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.246 2.137 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.524 3.074 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.232 3.630 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.819 2.887 -1.331 1.00 0.00 H new ATOM 485 N VAL A 41 -4.584 -0.724 2.084 1.00 0.00 N ATOM 486 CA VAL A 41 -4.419 -2.130 2.387 1.00 0.00 C ATOM 487 C VAL A 41 -5.760 -2.728 2.795 1.00 0.00 C ATOM 488 O VAL A 41 -6.315 -2.389 3.846 1.00 0.00 O ATOM 489 CB VAL A 41 -3.392 -2.363 3.514 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.107 -3.846 3.669 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.103 -1.594 3.255 1.00 0.00 C ATOM 0 H VAL A 41 -4.412 -0.098 2.871 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.045 -2.618 1.487 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.821 -1.989 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.381 -3.995 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.030 -4.370 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.705 -4.239 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.400 -1.779 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.665 -1.925 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.321 -0.527 3.199 1.00 0.00 H new ATOM 501 N ARG A 42 -6.286 -3.594 1.949 1.00 0.00 N ATOM 502 CA ARG A 42 -7.574 -4.215 2.194 1.00 0.00 C ATOM 503 C ARG A 42 -7.384 -5.623 2.742 1.00 0.00 C ATOM 504 O ARG A 42 -6.295 -6.191 2.653 1.00 0.00 O ATOM 505 CB ARG A 42 -8.394 -4.231 0.901 1.00 0.00 C ATOM 506 CG ARG A 42 -8.627 -2.835 0.336 1.00 0.00 C ATOM 507 CD ARG A 42 -8.824 -2.843 -1.171 1.00 0.00 C ATOM 508 NE ARG A 42 -9.989 -3.623 -1.590 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.608 -3.457 -2.759 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.245 -2.473 -3.574 1.00 0.00 N ATOM 511 NH2 ARG A 42 -11.618 -4.251 -3.100 1.00 0.00 N ATOM 0 H ARG A 42 -5.837 -3.885 1.080 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.119 -3.636 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.879 -4.839 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.356 -4.707 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.504 -2.396 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.777 -2.199 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.934 -1.817 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.931 -3.249 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.348 -4.333 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.490 -1.841 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.721 -2.349 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.922 -4.990 -2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.089 -4.121 -3.995 1.00 0.00 H new ATOM 525 N ASP A 43 -8.445 -6.173 3.310 1.00 0.00 N ATOM 526 CA ASP A 43 -8.380 -7.482 3.954 1.00 0.00 C ATOM 527 C ASP A 43 -8.873 -8.551 2.989 1.00 0.00 C ATOM 528 O ASP A 43 -9.089 -8.278 1.808 1.00 0.00 O ATOM 529 CB ASP A 43 -9.226 -7.480 5.242 1.00 0.00 C ATOM 530 CG ASP A 43 -8.919 -8.626 6.196 1.00 0.00 C ATOM 531 OD1 ASP A 43 -9.531 -9.710 6.054 1.00 0.00 O ATOM 532 OD2 ASP A 43 -8.087 -8.438 7.107 1.00 0.00 O ATOM 0 H ASP A 43 -9.366 -5.735 3.340 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.347 -7.702 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.069 -6.536 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.281 -7.522 4.970 1.00 0.00 H new ATOM 537 N THR A 44 -9.080 -9.749 3.500 1.00 0.00 N ATOM 538 CA THR A 44 -9.530 -10.873 2.696 1.00 0.00 C ATOM 539 C THR A 44 -10.959 -10.653 2.213 1.00 0.00 C ATOM 540 O THR A 44 -11.390 -11.236 1.219 1.00 0.00 O ATOM 541 CB THR A 44 -9.455 -12.189 3.498 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.169 -12.053 4.737 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.009 -12.576 3.778 1.00 0.00 C ATOM 0 H THR A 44 -8.941 -9.973 4.485 1.00 0.00 H new ATOM 0 HA THR A 44 -8.869 -10.947 1.833 1.00 0.00 H new ATOM 0 HB THR A 44 -9.914 -12.976 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.812 -11.291 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.985 -13.507 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.479 -12.711 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.527 -11.787 4.355 1.00 0.00 H new ATOM 551 N GLU A 45 -11.682 -9.792 2.917 1.00 0.00 N ATOM 552 CA GLU A 45 -13.051 -9.470 2.557 1.00 0.00 C ATOM 553 C GLU A 45 -13.047 -8.369 1.501 1.00 0.00 C ATOM 554 O GLU A 45 -14.069 -8.055 0.891 1.00 0.00 O ATOM 555 CB GLU A 45 -13.812 -9.013 3.800 1.00 0.00 C ATOM 556 CG GLU A 45 -15.318 -8.970 3.628 1.00 0.00 C ATOM 557 CD GLU A 45 -16.017 -8.385 4.834 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.200 -9.108 5.832 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.381 -7.196 4.792 1.00 0.00 O ATOM 0 H GLU A 45 -11.339 -9.304 3.744 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.545 -10.352 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.571 -9.682 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.462 -8.020 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.564 -8.379 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.690 -9.979 3.449 1.00 0.00 H new ATOM 566 N GLY A 46 -11.875 -7.789 1.293 1.00 0.00 N ATOM 567 CA GLY A 46 -11.729 -6.722 0.331 1.00 0.00 C ATOM 568 C GLY A 46 -12.042 -5.362 0.914 1.00 0.00 C ATOM 569 O GLY A 46 -12.019 -4.365 0.198 1.00 0.00 O ATOM 0 H GLY A 46 -11.015 -8.043 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.709 -6.722 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.388 -6.910 -0.516 1.00 0.00 H new ATOM 573 N ARG A 47 -12.339 -5.312 2.207 1.00 0.00 N ATOM 574 CA ARG A 47 -12.596 -4.050 2.870 1.00 0.00 C ATOM 575 C ARG A 47 -11.283 -3.387 3.267 1.00 0.00 C ATOM 576 O ARG A 47 -10.305 -4.074 3.563 1.00 0.00 O ATOM 577 CB ARG A 47 -13.474 -4.258 4.103 1.00 0.00 C ATOM 578 CG ARG A 47 -12.865 -5.157 5.170 1.00 0.00 C ATOM 579 CD ARG A 47 -13.676 -5.104 6.455 1.00 0.00 C ATOM 580 NE ARG A 47 -15.095 -5.362 6.211 1.00 0.00 N ATOM 581 CZ ARG A 47 -16.083 -4.601 6.672 1.00 0.00 C ATOM 582 NH1 ARG A 47 -15.819 -3.552 7.440 1.00 0.00 N ATOM 583 NH2 ARG A 47 -17.340 -4.899 6.369 1.00 0.00 N ATOM 0 H ARG A 47 -12.406 -6.131 2.811 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.125 -3.398 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.691 -3.286 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.426 -4.685 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.822 -6.183 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.839 -4.847 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.289 -5.839 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.559 -4.125 6.919 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.342 -6.178 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.854 -3.326 7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.581 -2.972 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.545 -5.709 5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.101 -4.318 6.721 1.00 0.00 H new ATOM 597 N MET A 48 -11.256 -2.060 3.261 1.00 0.00 N ATOM 598 CA MET A 48 -10.045 -1.324 3.607 1.00 0.00 C ATOM 599 C MET A 48 -9.806 -1.355 5.110 1.00 0.00 C ATOM 600 O MET A 48 -10.665 -0.964 5.904 1.00 0.00 O ATOM 601 CB MET A 48 -10.104 0.121 3.100 1.00 0.00 C ATOM 602 CG MET A 48 -11.357 0.879 3.504 1.00 0.00 C ATOM 603 SD MET A 48 -11.395 2.560 2.855 1.00 0.00 S ATOM 604 CE MET A 48 -12.976 3.122 3.479 1.00 0.00 C ATOM 0 H MET A 48 -12.055 -1.473 3.022 1.00 0.00 H new ATOM 0 HA MET A 48 -9.207 -1.816 3.113 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.233 0.659 3.473 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.033 0.114 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.234 0.337 3.149 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.421 0.913 4.592 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.148 4.151 3.162 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.769 2.484 3.088 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.975 3.074 4.568 1.00 0.00 H new ATOM 614 N VAL A 49 -8.638 -1.844 5.492 1.00 0.00 N ATOM 615 CA VAL A 49 -8.284 -1.978 6.896 1.00 0.00 C ATOM 616 C VAL A 49 -7.323 -0.869 7.301 1.00 0.00 C ATOM 617 O VAL A 49 -7.364 -0.374 8.425 1.00 0.00 O ATOM 618 CB VAL A 49 -7.625 -3.344 7.174 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.558 -3.632 8.664 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.367 -4.451 6.458 1.00 0.00 C ATOM 0 H VAL A 49 -7.914 -2.157 4.845 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.201 -1.905 7.480 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.605 -3.303 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.088 -4.602 8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.971 -2.858 9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.566 -3.643 9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.886 -5.406 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.400 -4.481 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.351 -4.264 5.384 1.00 0.00 H new ATOM 630 N TRP A 50 -6.474 -0.479 6.362 1.00 0.00 N ATOM 631 CA TRP A 50 -5.471 0.544 6.600 1.00 0.00 C ATOM 632 C TRP A 50 -5.144 1.250 5.290 1.00 0.00 C ATOM 633 O TRP A 50 -5.295 0.671 4.219 1.00 0.00 O ATOM 634 CB TRP A 50 -4.206 -0.084 7.207 1.00 0.00 C ATOM 635 CG TRP A 50 -3.087 0.890 7.416 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.938 0.987 6.681 1.00 0.00 C ATOM 637 CD2 TRP A 50 -3.009 1.910 8.419 1.00 0.00 C ATOM 638 NE1 TRP A 50 -1.153 2.002 7.168 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.788 2.583 8.233 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.852 2.319 9.455 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.390 3.642 9.043 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.458 3.371 10.259 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.235 4.021 10.049 1.00 0.00 C ATOM 0 H TRP A 50 -6.462 -0.862 5.417 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.861 1.275 7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.461 -0.540 8.163 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.860 -0.885 6.554 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.685 0.357 5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.244 2.279 6.797 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.795 1.821 9.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.448 4.146 8.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.103 3.697 11.062 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.953 4.839 10.696 1.00 0.00 H new ATOM 654 N ARG A 51 -4.732 2.504 5.371 1.00 0.00 N ATOM 655 CA ARG A 51 -4.360 3.262 4.189 1.00 0.00 C ATOM 656 C ARG A 51 -3.312 4.304 4.549 1.00 0.00 C ATOM 657 O ARG A 51 -3.378 4.915 5.615 1.00 0.00 O ATOM 658 CB ARG A 51 -5.605 3.908 3.554 1.00 0.00 C ATOM 659 CG ARG A 51 -6.433 4.755 4.515 1.00 0.00 C ATOM 660 CD ARG A 51 -5.985 6.209 4.526 1.00 0.00 C ATOM 661 NE ARG A 51 -6.531 6.945 5.666 1.00 0.00 N ATOM 662 CZ ARG A 51 -6.726 8.263 5.687 1.00 0.00 C ATOM 663 NH1 ARG A 51 -6.505 8.994 4.600 1.00 0.00 N ATOM 664 NH2 ARG A 51 -7.171 8.843 6.793 1.00 0.00 N ATOM 0 H ARG A 51 -4.647 3.020 6.247 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.925 2.588 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.289 4.532 2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.238 3.122 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.484 4.702 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.353 4.344 5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.896 6.252 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.298 6.691 3.600 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.779 6.414 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.184 8.547 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.657 10.002 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.362 8.281 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.322 9.852 6.815 1.00 0.00 H new ATOM 678 N ALA A 52 -2.335 4.477 3.674 1.00 0.00 N ATOM 679 CA ALA A 52 -1.276 5.454 3.886 1.00 0.00 C ATOM 680 C ALA A 52 -0.760 5.962 2.549 1.00 0.00 C ATOM 681 O ALA A 52 -0.921 5.295 1.525 1.00 0.00 O ATOM 682 CB ALA A 52 -0.141 4.844 4.694 1.00 0.00 C ATOM 0 H ALA A 52 -2.252 3.951 2.804 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.684 6.294 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.641 5.589 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.519 4.517 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.269 3.989 4.157 1.00 0.00 H new ATOM 688 N TRP A 53 -0.151 7.137 2.555 1.00 0.00 N ATOM 689 CA TRP A 53 0.383 7.720 1.347 1.00 0.00 C ATOM 690 C TRP A 53 1.806 7.253 1.125 1.00 0.00 C ATOM 691 O TRP A 53 2.264 6.301 1.747 1.00 0.00 O ATOM 692 CB TRP A 53 0.346 9.241 1.430 1.00 0.00 C ATOM 693 CG TRP A 53 -1.015 9.797 1.429 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.849 9.810 2.473 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.696 10.430 0.341 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.024 10.413 2.127 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.960 10.802 0.817 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.363 10.717 -0.986 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.898 11.449 0.017 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.294 11.358 -1.781 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.548 11.718 -1.277 1.00 0.00 C ATOM 0 H TRP A 53 -0.017 7.704 3.392 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.232 7.397 0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.859 9.560 2.337 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.900 9.656 0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.626 9.403 3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.822 10.551 2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.396 10.443 -1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.867 11.728 0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.049 11.585 -2.808 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.254 12.219 -1.923 1.00 0.00 H new ATOM 712 N ASN A 54 2.505 7.942 0.249 1.00 0.00 N ATOM 713 CA ASN A 54 3.851 7.537 -0.140 1.00 0.00 C ATOM 714 C ASN A 54 4.909 8.422 0.518 1.00 0.00 C ATOM 715 O ASN A 54 6.061 8.018 0.664 1.00 0.00 O ATOM 716 CB ASN A 54 4.002 7.597 -1.668 1.00 0.00 C ATOM 717 CG ASN A 54 4.565 8.923 -2.161 1.00 0.00 C ATOM 718 OD1 ASN A 54 3.833 9.905 -2.330 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.868 8.950 -2.410 1.00 0.00 N ATOM 0 H ASN A 54 2.168 8.788 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 54 4.002 6.512 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.655 6.788 -1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.029 7.428 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.304 9.805 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.434 8.116 -2.256 1.00 0.00 H new ATOM 726 N PHE A 55 4.508 9.621 0.928 1.00 0.00 N ATOM 727 CA PHE A 55 5.461 10.625 1.394 1.00 0.00 C ATOM 728 C PHE A 55 5.615 10.614 2.913 1.00 0.00 C ATOM 729 O PHE A 55 6.373 11.409 3.470 1.00 0.00 O ATOM 730 CB PHE A 55 5.038 12.021 0.917 1.00 0.00 C ATOM 731 CG PHE A 55 3.672 12.454 1.380 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.513 13.126 2.583 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.548 12.199 0.607 1.00 0.00 C ATOM 734 CE1 PHE A 55 2.262 13.530 3.006 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.295 12.603 1.029 1.00 0.00 C ATOM 736 CZ PHE A 55 1.151 13.269 2.230 1.00 0.00 C ATOM 0 H PHE A 55 3.533 9.921 0.948 1.00 0.00 H new ATOM 0 HA PHE A 55 6.431 10.373 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.772 12.747 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.061 12.041 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.377 13.336 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.653 11.680 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.153 14.051 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.428 12.398 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.173 13.584 2.561 1.00 0.00 H new ATOM 746 N GLU A 56 4.906 9.717 3.578 1.00 0.00 N ATOM 747 CA GLU A 56 4.963 9.631 5.031 1.00 0.00 C ATOM 748 C GLU A 56 6.284 9.001 5.480 1.00 0.00 C ATOM 749 O GLU A 56 6.776 8.067 4.842 1.00 0.00 O ATOM 750 CB GLU A 56 3.760 8.845 5.561 1.00 0.00 C ATOM 751 CG GLU A 56 2.430 9.521 5.259 1.00 0.00 C ATOM 752 CD GLU A 56 1.235 8.729 5.754 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.089 8.573 6.984 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.423 8.283 4.916 1.00 0.00 O ATOM 0 H GLU A 56 4.285 9.038 3.137 1.00 0.00 H new ATOM 0 HA GLU A 56 4.918 10.637 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.762 7.847 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.861 8.719 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.419 10.509 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.340 9.669 4.183 1.00 0.00 H new ATOM 761 N PRO A 57 6.861 9.516 6.591 1.00 0.00 N ATOM 762 CA PRO A 57 8.200 9.133 7.077 1.00 0.00 C ATOM 763 C PRO A 57 8.453 7.628 7.090 1.00 0.00 C ATOM 764 O PRO A 57 9.553 7.174 6.777 1.00 0.00 O ATOM 765 CB PRO A 57 8.222 9.685 8.500 1.00 0.00 C ATOM 766 CG PRO A 57 7.328 10.871 8.452 1.00 0.00 C ATOM 767 CD PRO A 57 6.242 10.534 7.465 1.00 0.00 C ATOM 0 HA PRO A 57 8.979 9.524 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.864 8.947 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.232 9.961 8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.909 11.083 9.436 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.876 11.760 8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.354 10.146 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.931 11.411 6.898 1.00 0.00 H new ATOM 775 N ASP A 58 7.445 6.860 7.456 1.00 0.00 N ATOM 776 CA ASP A 58 7.559 5.411 7.455 1.00 0.00 C ATOM 777 C ASP A 58 6.308 4.798 6.856 1.00 0.00 C ATOM 778 O ASP A 58 5.734 3.860 7.412 1.00 0.00 O ATOM 779 CB ASP A 58 7.791 4.873 8.872 1.00 0.00 C ATOM 780 CG ASP A 58 9.200 5.122 9.371 1.00 0.00 C ATOM 781 OD1 ASP A 58 10.103 4.324 9.040 1.00 0.00 O ATOM 782 OD2 ASP A 58 9.415 6.114 10.100 1.00 0.00 O ATOM 0 H ASP A 58 6.537 7.213 7.758 1.00 0.00 H new ATOM 0 HA ASP A 58 8.421 5.134 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.081 5.341 9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.589 3.802 8.887 1.00 0.00 H new ATOM 787 N ALA A 59 5.904 5.322 5.700 1.00 0.00 N ATOM 788 CA ALA A 59 4.665 4.905 5.057 1.00 0.00 C ATOM 789 C ALA A 59 4.651 3.403 4.805 1.00 0.00 C ATOM 790 O ALA A 59 3.692 2.707 5.151 1.00 0.00 O ATOM 791 CB ALA A 59 4.480 5.660 3.757 1.00 0.00 C ATOM 0 H ALA A 59 6.421 6.039 5.190 1.00 0.00 H new ATOM 0 HA ALA A 59 3.837 5.137 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.552 5.343 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.437 6.730 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.318 5.451 3.092 1.00 0.00 H new ATOM 797 N GLY A 60 5.736 2.904 4.233 1.00 0.00 N ATOM 798 CA GLY A 60 5.823 1.497 3.914 1.00 0.00 C ATOM 799 C GLY A 60 5.953 0.634 5.145 1.00 0.00 C ATOM 800 O GLY A 60 5.557 -0.530 5.138 1.00 0.00 O ATOM 0 H GLY A 60 6.560 3.451 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.935 1.198 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.680 1.327 3.263 1.00 0.00 H new ATOM 804 N GLU A 61 6.482 1.204 6.214 1.00 0.00 N ATOM 805 CA GLU A 61 6.713 0.453 7.434 1.00 0.00 C ATOM 806 C GLU A 61 5.381 0.166 8.125 1.00 0.00 C ATOM 807 O GLU A 61 5.196 -0.895 8.721 1.00 0.00 O ATOM 808 CB GLU A 61 7.667 1.227 8.346 1.00 0.00 C ATOM 809 CG GLU A 61 8.683 0.345 9.057 1.00 0.00 C ATOM 810 CD GLU A 61 8.315 0.053 10.494 1.00 0.00 C ATOM 811 OE1 GLU A 61 7.567 -0.913 10.743 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.790 0.782 11.390 1.00 0.00 O ATOM 0 H GLU A 61 6.759 2.184 6.261 1.00 0.00 H new ATOM 0 HA GLU A 61 7.179 -0.503 7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.198 1.972 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.084 1.768 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.780 -0.596 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.658 0.831 9.030 1.00 0.00 H new ATOM 819 N GLY A 62 4.437 1.097 7.997 1.00 0.00 N ATOM 820 CA GLY A 62 3.108 0.886 8.546 1.00 0.00 C ATOM 821 C GLY A 62 2.339 -0.145 7.744 1.00 0.00 C ATOM 822 O GLY A 62 1.648 -1.010 8.301 1.00 0.00 O ATOM 0 H GLY A 62 4.569 1.991 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.188 0.558 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.560 1.828 8.551 1.00 0.00 H new ATOM 826 N LEU A 63 2.476 -0.062 6.427 1.00 0.00 N ATOM 827 CA LEU A 63 1.877 -1.042 5.535 1.00 0.00 C ATOM 828 C LEU A 63 2.396 -2.435 5.878 1.00 0.00 C ATOM 829 O LEU A 63 1.630 -3.393 5.974 1.00 0.00 O ATOM 830 CB LEU A 63 2.207 -0.707 4.080 1.00 0.00 C ATOM 831 CG LEU A 63 1.852 0.714 3.639 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.349 0.967 2.228 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.353 0.948 3.722 1.00 0.00 C ATOM 0 H LEU A 63 2.998 0.676 5.954 1.00 0.00 H new ATOM 0 HA LEU A 63 0.795 -1.020 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.274 -0.863 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.683 -1.412 3.434 1.00 0.00 H new ATOM 0 HG LEU A 63 2.343 1.414 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.089 1.982 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.432 0.845 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.883 0.256 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.125 1.965 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.162 0.240 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.019 0.806 4.750 1.00 0.00 H new ATOM 845 N ASN A 64 3.705 -2.527 6.094 1.00 0.00 N ATOM 846 CA ASN A 64 4.337 -3.795 6.433 1.00 0.00 C ATOM 847 C ASN A 64 4.020 -4.216 7.861 1.00 0.00 C ATOM 848 O ASN A 64 4.176 -5.381 8.211 1.00 0.00 O ATOM 849 CB ASN A 64 5.850 -3.738 6.217 1.00 0.00 C ATOM 850 CG ASN A 64 6.231 -3.931 4.762 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.411 -5.053 4.300 1.00 0.00 O ATOM 852 ND2 ASN A 64 6.359 -2.840 4.026 1.00 0.00 N ATOM 0 H ASN A 64 4.348 -1.737 6.040 1.00 0.00 H new ATOM 0 HA ASN A 64 3.923 -4.547 5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.229 -2.777 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.330 -4.508 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.615 -2.916 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.202 -1.922 4.443 1.00 0.00 H new ATOM 859 N ARG A 65 3.580 -3.272 8.686 1.00 0.00 N ATOM 860 CA ARG A 65 3.089 -3.606 10.015 1.00 0.00 C ATOM 861 C ARG A 65 1.893 -4.534 9.899 1.00 0.00 C ATOM 862 O ARG A 65 1.834 -5.570 10.564 1.00 0.00 O ATOM 863 CB ARG A 65 2.703 -2.351 10.796 1.00 0.00 C ATOM 864 CG ARG A 65 3.824 -1.789 11.648 1.00 0.00 C ATOM 865 CD ARG A 65 4.154 -2.722 12.801 1.00 0.00 C ATOM 866 NE ARG A 65 5.112 -2.127 13.725 1.00 0.00 N ATOM 867 CZ ARG A 65 5.076 -2.293 15.044 1.00 0.00 C ATOM 868 NH1 ARG A 65 4.137 -3.048 15.603 1.00 0.00 N ATOM 869 NH2 ARG A 65 5.984 -1.701 15.806 1.00 0.00 N ATOM 0 H ARG A 65 3.554 -2.278 8.459 1.00 0.00 H new ATOM 0 HA ARG A 65 3.890 -4.107 10.559 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.374 -1.585 10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.853 -2.581 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.711 -1.637 11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.535 -0.813 12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.239 -2.973 13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.559 -3.655 12.409 1.00 0.00 H new ATOM 0 HE ARG A 65 5.856 -1.548 13.336 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.436 -3.506 15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.117 -3.170 16.615 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.707 -1.121 15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.960 -1.826 16.818 1.00 0.00 H new ATOM 883 N TYR A 66 0.951 -4.173 9.033 1.00 0.00 N ATOM 884 CA TYR A 66 -0.199 -5.035 8.785 1.00 0.00 C ATOM 885 C TYR A 66 0.237 -6.314 8.070 1.00 0.00 C ATOM 886 O TYR A 66 -0.134 -7.412 8.469 1.00 0.00 O ATOM 887 CB TYR A 66 -1.272 -4.309 7.964 1.00 0.00 C ATOM 888 CG TYR A 66 -2.416 -5.211 7.549 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.433 -5.541 8.438 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.466 -5.745 6.269 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.463 -6.384 8.061 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.493 -6.581 5.882 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.488 -6.900 6.781 1.00 0.00 C ATOM 894 OH TYR A 66 -5.498 -7.752 6.399 1.00 0.00 O ATOM 0 H TYR A 66 0.960 -3.304 8.499 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.632 -5.299 9.750 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.667 -3.477 8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.812 -3.883 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.419 -5.133 9.438 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.686 -5.502 5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.243 -6.637 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.517 -6.983 4.880 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.267 -7.637 6.996 1.00 0.00 H new ATOM 904 N ILE A 67 1.043 -6.154 7.031 1.00 0.00 N ATOM 905 CA ILE A 67 1.504 -7.269 6.206 1.00 0.00 C ATOM 906 C ILE A 67 2.275 -8.318 7.010 1.00 0.00 C ATOM 907 O ILE A 67 2.120 -9.517 6.779 1.00 0.00 O ATOM 908 CB ILE A 67 2.391 -6.743 5.061 1.00 0.00 C ATOM 909 CG1 ILE A 67 1.551 -5.918 4.082 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.090 -7.884 4.345 1.00 0.00 C ATOM 911 CD1 ILE A 67 2.375 -5.148 3.072 1.00 0.00 C ATOM 0 H ILE A 67 1.399 -5.246 6.733 1.00 0.00 H new ATOM 0 HA ILE A 67 0.616 -7.756 5.803 1.00 0.00 H new ATOM 0 HB ILE A 67 3.161 -6.100 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.870 -6.583 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.936 -5.217 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.709 -7.485 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.718 -8.427 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.346 -8.561 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.712 -4.588 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.037 -4.457 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.970 -5.844 2.481 1.00 0.00 H new ATOM 923 N ARG A 68 3.106 -7.876 7.942 1.00 0.00 N ATOM 924 CA ARG A 68 3.882 -8.802 8.760 1.00 0.00 C ATOM 925 C ARG A 68 2.979 -9.821 9.450 1.00 0.00 C ATOM 926 O ARG A 68 3.284 -11.013 9.476 1.00 0.00 O ATOM 927 CB ARG A 68 4.702 -8.049 9.807 1.00 0.00 C ATOM 928 CG ARG A 68 5.535 -8.968 10.682 1.00 0.00 C ATOM 929 CD ARG A 68 6.386 -8.195 11.675 1.00 0.00 C ATOM 930 NE ARG A 68 7.259 -9.082 12.440 1.00 0.00 N ATOM 931 CZ ARG A 68 8.450 -8.726 12.922 1.00 0.00 C ATOM 932 NH1 ARG A 68 8.905 -7.491 12.738 1.00 0.00 N ATOM 933 NH2 ARG A 68 9.189 -9.607 13.588 1.00 0.00 N ATOM 0 H ARG A 68 3.261 -6.890 8.151 1.00 0.00 H new ATOM 0 HA ARG A 68 4.561 -9.334 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.360 -7.340 9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.030 -7.467 10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.877 -9.649 11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.180 -9.581 10.052 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.990 -7.460 11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.739 -7.643 12.357 1.00 0.00 H new ATOM 0 HE ARG A 68 6.937 -10.034 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.342 -6.811 12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.817 -7.223 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.845 -10.557 13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.100 -9.334 13.956 1.00 0.00 H new ATOM 947 N THR A 69 1.860 -9.359 9.987 1.00 0.00 N ATOM 948 CA THR A 69 0.960 -10.233 10.721 1.00 0.00 C ATOM 949 C THR A 69 -0.211 -10.693 9.848 1.00 0.00 C ATOM 950 O THR A 69 -0.967 -11.587 10.229 1.00 0.00 O ATOM 951 CB THR A 69 0.431 -9.535 11.994 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.380 -10.435 12.765 1.00 0.00 O ATOM 953 CG2 THR A 69 -0.374 -8.285 11.649 1.00 0.00 C ATOM 0 H THR A 69 1.555 -8.387 9.928 1.00 0.00 H new ATOM 0 HA THR A 69 1.531 -11.114 11.015 1.00 0.00 H new ATOM 0 HB THR A 69 1.296 -9.236 12.586 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.814 -11.078 12.167 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.732 -7.818 12.567 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.259 -7.583 11.107 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.225 -8.561 11.027 1.00 0.00 H new ATOM 961 N SER A 70 -0.349 -10.092 8.675 1.00 0.00 N ATOM 962 CA SER A 70 -1.459 -10.408 7.786 1.00 0.00 C ATOM 963 C SER A 70 -1.146 -10.008 6.339 1.00 0.00 C ATOM 964 O SER A 70 -1.731 -9.075 5.793 1.00 0.00 O ATOM 965 CB SER A 70 -2.737 -9.714 8.277 1.00 0.00 C ATOM 966 OG SER A 70 -3.865 -10.065 7.487 1.00 0.00 O ATOM 0 H SER A 70 0.292 -9.384 8.317 1.00 0.00 H new ATOM 0 HA SER A 70 -1.614 -11.487 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.922 -9.986 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.597 -8.633 8.251 1.00 0.00 H new ATOM 0 HG SER A 70 -4.295 -9.251 7.151 1.00 0.00 H new ATOM 972 N GLY A 71 -0.178 -10.688 5.742 1.00 0.00 N ATOM 973 CA GLY A 71 0.076 -10.535 4.326 1.00 0.00 C ATOM 974 C GLY A 71 -0.747 -11.513 3.514 1.00 0.00 C ATOM 975 O GLY A 71 -0.711 -12.714 3.768 1.00 0.00 O ATOM 0 H GLY A 71 0.439 -11.347 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.159 -9.516 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.136 -10.692 4.125 1.00 0.00 H new ATOM 979 N ILE A 72 -1.476 -11.009 2.530 1.00 0.00 N ATOM 980 CA ILE A 72 -2.425 -11.831 1.781 1.00 0.00 C ATOM 981 C ILE A 72 -1.709 -12.598 0.651 1.00 0.00 C ATOM 982 O ILE A 72 -2.301 -13.423 -0.037 1.00 0.00 O ATOM 983 CB ILE A 72 -3.606 -10.946 1.250 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.586 -10.609 2.386 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.371 -11.602 0.107 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.035 -9.674 3.442 1.00 0.00 C ATOM 0 H ILE A 72 -1.432 -10.036 2.229 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.854 -12.580 2.447 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.151 -10.033 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.481 -10.160 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.895 -11.537 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.176 -10.942 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.693 -11.785 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.792 -12.548 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.796 -9.494 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.159 -10.126 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.753 -8.728 2.979 1.00 0.00 H new ATOM 998 N ARG A 73 -0.398 -12.385 0.530 1.00 0.00 N ATOM 999 CA ARG A 73 0.389 -12.986 -0.557 1.00 0.00 C ATOM 1000 C ARG A 73 0.425 -14.509 -0.475 1.00 0.00 C ATOM 1001 O ARG A 73 0.938 -15.166 -1.384 1.00 0.00 O ATOM 1002 CB ARG A 73 1.819 -12.484 -0.537 1.00 0.00 C ATOM 1003 CG ARG A 73 2.678 -13.192 0.493 1.00 0.00 C ATOM 1004 CD ARG A 73 4.147 -12.840 0.333 1.00 0.00 C ATOM 1005 NE ARG A 73 4.639 -13.226 -0.991 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.865 -13.673 -1.239 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.742 -13.801 -0.253 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.200 -14.002 -2.481 1.00 0.00 N ATOM 0 H ARG A 73 0.144 -11.802 1.168 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.106 -12.690 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.260 -12.618 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.820 -11.414 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.345 -12.920 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.549 -14.270 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.286 -11.769 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.731 -13.344 1.103 1.00 0.00 H new ATOM 0 HE ARG A 73 3.995 -13.146 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.476 -13.556 0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.682 -14.145 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.518 -13.910 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.139 -14.346 -2.682 1.00 0.00 H new ATOM 1022 N THR A 74 -0.097 -15.072 0.610 1.00 0.00 N ATOM 1023 CA THR A 74 -0.254 -16.516 0.719 1.00 0.00 C ATOM 1024 C THR A 74 -1.151 -17.014 -0.419 1.00 0.00 C ATOM 1025 O THR A 74 -1.279 -18.216 -0.670 1.00 0.00 O ATOM 1026 CB THR A 74 -0.858 -16.900 2.082 1.00 0.00 C ATOM 1027 OG1 THR A 74 -0.275 -16.082 3.107 1.00 0.00 O ATOM 1028 CG2 THR A 74 -0.596 -18.365 2.400 1.00 0.00 C ATOM 0 H THR A 74 -0.418 -14.550 1.425 1.00 0.00 H new ATOM 0 HA THR A 74 0.727 -16.986 0.643 1.00 0.00 H new ATOM 0 HB THR A 74 -1.936 -16.741 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.659 -16.323 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.033 -18.611 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.046 -18.991 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.479 -18.544 2.431 1.00 0.00 H new ATOM 1036 N ASP A 75 -1.751 -16.051 -1.105 1.00 0.00 N ATOM 1037 CA ASP A 75 -2.490 -16.297 -2.327 1.00 0.00 C ATOM 1038 C ASP A 75 -2.460 -15.053 -3.187 1.00 0.00 C ATOM 1039 O ASP A 75 -2.773 -13.951 -2.742 1.00 0.00 O ATOM 1040 CB ASP A 75 -3.927 -16.716 -2.062 1.00 0.00 C ATOM 1041 CG ASP A 75 -4.727 -16.892 -3.341 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -4.145 -17.323 -4.366 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -5.947 -16.628 -3.324 1.00 0.00 O ATOM 0 H ASP A 75 -1.736 -15.071 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.009 -17.126 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.932 -17.651 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.411 -15.967 -1.435 1.00 0.00 H new TER 1048 ASP A 75