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 33 GLN : amide:sc= -1.51! K(o=-2.4!,f=-0.31) USER MOD Set 1.2: A 36 HIS : no HE2:sc= -0.908! C(o=-2.4!,f=-5.3!) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0.888 USER MOD Single : A 16 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.93) USER MOD Single : A 18 GLN : amide:sc= -2.08! K(o=-2.1!,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 22 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 23 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -8.09! C(o=-8.1!,f=-9.8!) USER MOD Single : A 28 THR OG1 : rot -61:sc= -0.0547 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000878 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.17 K(o=-0.17,f=0.38) USER MOD Single : A 64 ASN : amide:sc= -0.0157 K(o=-0.016,f=-3.2!) USER MOD Single : A 66 TYR OH : rot 130:sc= 0 USER MOD Single : A 69 THR OG1 : rot -84:sc= 0.0808 USER MOD Single : A 70 SER OG : rot 180:sc=-0.00359 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0135 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.580 3.375 5.185 1.00 0.00 N ATOM 2 CA GLY A 10 10.650 4.462 5.422 1.00 0.00 C ATOM 3 C GLY A 10 9.627 4.611 4.314 1.00 0.00 C ATOM 4 O GLY A 10 8.796 3.721 4.114 1.00 0.00 O ATOM 0 HA2 GLY A 10 10.134 4.293 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.206 5.394 5.525 1.00 0.00 H new ATOM 8 N PRO A 11 9.653 5.737 3.581 1.00 0.00 N ATOM 9 CA PRO A 11 8.761 5.968 2.447 1.00 0.00 C ATOM 10 C PRO A 11 9.147 5.119 1.238 1.00 0.00 C ATOM 11 O PRO A 11 10.222 4.516 1.202 1.00 0.00 O ATOM 12 CB PRO A 11 8.939 7.462 2.131 1.00 0.00 C ATOM 13 CG PRO A 11 9.748 8.024 3.253 1.00 0.00 C ATOM 14 CD PRO A 11 10.547 6.881 3.801 1.00 0.00 C ATOM 0 HA PRO A 11 7.731 5.697 2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.446 7.602 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.974 7.963 2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.401 8.823 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.104 8.453 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.496 6.761 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.780 7.017 4.857 1.00 0.00 H new ATOM 22 N PHE A 12 8.272 5.079 0.249 1.00 0.00 N ATOM 23 CA PHE A 12 8.484 4.249 -0.930 1.00 0.00 C ATOM 24 C PHE A 12 8.389 5.067 -2.208 1.00 0.00 C ATOM 25 O PHE A 12 8.353 6.299 -2.172 1.00 0.00 O ATOM 26 CB PHE A 12 7.464 3.107 -0.967 1.00 0.00 C ATOM 27 CG PHE A 12 6.019 3.544 -0.895 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.499 4.082 0.273 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.177 3.401 -1.987 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.179 4.461 0.351 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.848 3.785 -1.912 1.00 0.00 C ATOM 32 CZ PHE A 12 3.352 4.315 -0.742 1.00 0.00 C ATOM 0 H PHE A 12 7.403 5.613 0.237 1.00 0.00 H new ATOM 0 HA PHE A 12 9.489 3.833 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.611 2.537 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.666 2.431 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.140 4.205 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.561 2.985 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.790 4.874 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.202 3.669 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.317 4.616 -0.681 1.00 0.00 H new ATOM 42 N THR A 13 8.375 4.369 -3.332 1.00 0.00 N ATOM 43 CA THR A 13 8.258 4.994 -4.635 1.00 0.00 C ATOM 44 C THR A 13 7.088 4.394 -5.401 1.00 0.00 C ATOM 45 O THR A 13 6.485 3.417 -4.955 1.00 0.00 O ATOM 46 CB THR A 13 9.542 4.795 -5.462 1.00 0.00 C ATOM 47 OG1 THR A 13 9.698 3.411 -5.806 1.00 0.00 O ATOM 48 CG2 THR A 13 10.756 5.253 -4.678 1.00 0.00 C ATOM 0 H THR A 13 8.445 3.352 -3.364 1.00 0.00 H new ATOM 0 HA THR A 13 8.095 6.060 -4.477 1.00 0.00 H new ATOM 0 HB THR A 13 9.457 5.390 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.633 3.236 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.654 5.105 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.653 6.310 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.835 4.674 -3.758 1.00 0.00 H new ATOM 56 N ARG A 14 6.788 4.973 -6.556 1.00 0.00 N ATOM 57 CA ARG A 14 5.795 4.419 -7.472 1.00 0.00 C ATOM 58 C ARG A 14 6.207 3.005 -7.865 1.00 0.00 C ATOM 59 O ARG A 14 5.392 2.081 -7.896 1.00 0.00 O ATOM 60 CB ARG A 14 5.715 5.312 -8.716 1.00 0.00 C ATOM 61 CG ARG A 14 4.498 5.090 -9.609 1.00 0.00 C ATOM 62 CD ARG A 14 4.680 3.897 -10.529 1.00 0.00 C ATOM 63 NE ARG A 14 3.656 3.842 -11.565 1.00 0.00 N ATOM 64 CZ ARG A 14 3.558 2.861 -12.456 1.00 0.00 C ATOM 65 NH1 ARG A 14 4.426 1.854 -12.438 1.00 0.00 N ATOM 66 NH2 ARG A 14 2.608 2.895 -13.377 1.00 0.00 N ATOM 0 H ARG A 14 7.222 5.835 -6.885 1.00 0.00 H new ATOM 0 HA ARG A 14 4.817 4.382 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.723 6.354 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.614 5.156 -9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.615 4.938 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.318 5.984 -10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.664 3.946 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.651 2.979 -9.942 1.00 0.00 H new ATOM 0 HE ARG A 14 2.975 4.600 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.169 1.833 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.349 1.102 -13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.951 3.674 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.533 2.142 -14.061 1.00 0.00 H new ATOM 80 N ARG A 15 7.490 2.868 -8.157 1.00 0.00 N ATOM 81 CA ARG A 15 8.082 1.590 -8.532 1.00 0.00 C ATOM 82 C ARG A 15 7.934 0.559 -7.412 1.00 0.00 C ATOM 83 O ARG A 15 7.408 -0.537 -7.631 1.00 0.00 O ATOM 84 CB ARG A 15 9.557 1.801 -8.879 1.00 0.00 C ATOM 85 CG ARG A 15 10.335 0.521 -9.129 1.00 0.00 C ATOM 86 CD ARG A 15 11.754 0.821 -9.584 1.00 0.00 C ATOM 87 NE ARG A 15 11.786 1.409 -10.924 1.00 0.00 N ATOM 88 CZ ARG A 15 12.120 2.675 -11.188 1.00 0.00 C ATOM 89 NH1 ARG A 15 12.449 3.501 -10.202 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.126 3.106 -12.443 1.00 0.00 N ATOM 0 H ARG A 15 8.154 3.642 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 15 7.555 1.201 -9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.622 2.430 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.034 2.348 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.361 -0.076 -8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.826 -0.075 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.225 1.504 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.339 -0.099 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 15 11.536 0.810 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.448 3.170 -9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.703 4.467 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.876 2.471 -13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.380 4.072 -12.649 1.00 0.00 H new ATOM 104 N GLN A 16 8.392 0.917 -6.213 1.00 0.00 N ATOM 105 CA GLN A 16 8.301 0.027 -5.059 1.00 0.00 C ATOM 106 C GLN A 16 6.862 -0.386 -4.805 1.00 0.00 C ATOM 107 O GLN A 16 6.568 -1.571 -4.671 1.00 0.00 O ATOM 108 CB GLN A 16 8.874 0.688 -3.804 1.00 0.00 C ATOM 109 CG GLN A 16 10.393 0.753 -3.779 1.00 0.00 C ATOM 110 CD GLN A 16 11.029 -0.623 -3.778 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.443 -1.589 -3.295 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.243 -0.716 -4.294 1.00 0.00 N ATOM 0 H GLN A 16 8.830 1.817 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 16 8.890 -0.861 -5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.476 1.700 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.529 0.140 -2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.745 1.312 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.716 1.301 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.695 0.110 -4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.727 -1.614 -4.301 1.00 0.00 H new ATOM 121 N ALA A 17 5.970 0.596 -4.761 1.00 0.00 N ATOM 122 CA ALA A 17 4.548 0.344 -4.530 1.00 0.00 C ATOM 123 C ALA A 17 4.019 -0.763 -5.439 1.00 0.00 C ATOM 124 O ALA A 17 3.430 -1.744 -4.970 1.00 0.00 O ATOM 125 CB ALA A 17 3.751 1.620 -4.742 1.00 0.00 C ATOM 0 H ALA A 17 6.206 1.581 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 17 4.431 0.012 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.693 1.422 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.096 2.385 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.891 1.970 -5.765 1.00 0.00 H new ATOM 131 N GLN A 18 4.264 -0.625 -6.735 1.00 0.00 N ATOM 132 CA GLN A 18 3.773 -1.582 -7.712 1.00 0.00 C ATOM 133 C GLN A 18 4.285 -2.991 -7.427 1.00 0.00 C ATOM 134 O GLN A 18 3.543 -3.963 -7.567 1.00 0.00 O ATOM 135 CB GLN A 18 4.157 -1.146 -9.126 1.00 0.00 C ATOM 136 CG GLN A 18 3.215 -0.108 -9.714 1.00 0.00 C ATOM 137 CD GLN A 18 1.788 -0.616 -9.803 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.550 -1.816 -9.967 1.00 0.00 O ATOM 139 NE2 GLN A 18 0.828 0.287 -9.697 1.00 0.00 N ATOM 0 H GLN A 18 4.802 0.144 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 18 2.686 -1.606 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.169 -0.741 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.173 -2.021 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.241 0.793 -9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.562 0.173 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.065 1.270 -9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.150 0.001 -9.750 1.00 0.00 H new ATOM 148 N ALA A 19 5.533 -3.098 -6.989 1.00 0.00 N ATOM 149 CA ALA A 19 6.136 -4.396 -6.715 1.00 0.00 C ATOM 150 C ALA A 19 5.499 -5.062 -5.495 1.00 0.00 C ATOM 151 O ALA A 19 5.410 -6.292 -5.416 1.00 0.00 O ATOM 152 CB ALA A 19 7.636 -4.246 -6.507 1.00 0.00 C ATOM 0 H ALA A 19 6.147 -2.302 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 19 5.956 -5.036 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.075 -5.223 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.088 -3.826 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.822 -3.582 -5.663 1.00 0.00 H new ATOM 158 N VAL A 20 4.989 -4.254 -4.577 1.00 0.00 N ATOM 159 CA VAL A 20 4.510 -4.778 -3.310 1.00 0.00 C ATOM 160 C VAL A 20 3.061 -5.142 -3.481 1.00 0.00 C ATOM 161 O VAL A 20 2.501 -5.951 -2.747 1.00 0.00 O ATOM 162 CB VAL A 20 4.643 -3.749 -2.167 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.350 -4.388 -0.817 1.00 0.00 C ATOM 164 CG2 VAL A 20 6.026 -3.120 -2.157 1.00 0.00 C ATOM 0 H VAL A 20 4.897 -3.244 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 20 5.114 -5.644 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 20 3.907 -2.965 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.451 -3.640 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.334 -4.782 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.055 -5.200 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.092 -2.399 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.778 -3.897 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.202 -2.612 -3.105 1.00 0.00 H new ATOM 174 N THR A 21 2.485 -4.571 -4.514 1.00 0.00 N ATOM 175 CA THR A 21 1.088 -4.728 -4.789 1.00 0.00 C ATOM 176 C THR A 21 0.924 -5.885 -5.747 1.00 0.00 C ATOM 177 O THR A 21 -0.065 -6.616 -5.733 1.00 0.00 O ATOM 178 CB THR A 21 0.518 -3.448 -5.398 1.00 0.00 C ATOM 179 OG1 THR A 21 0.893 -2.315 -4.601 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.974 -3.540 -5.454 1.00 0.00 C ATOM 0 H THR A 21 2.980 -3.984 -5.185 1.00 0.00 H new ATOM 0 HA THR A 21 0.545 -4.928 -3.865 1.00 0.00 H new ATOM 0 HB THR A 21 0.917 -3.327 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.720 -1.926 -4.954 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.379 -2.626 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.263 -4.393 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.369 -3.668 -4.446 1.00 0.00 H new ATOM 188 N THR A 22 1.937 -6.041 -6.575 1.00 0.00 N ATOM 189 CA THR A 22 2.081 -7.215 -7.388 1.00 0.00 C ATOM 190 C THR A 22 2.216 -8.437 -6.480 1.00 0.00 C ATOM 191 O THR A 22 1.696 -9.512 -6.776 1.00 0.00 O ATOM 192 CB THR A 22 3.322 -7.080 -8.290 1.00 0.00 C ATOM 193 OG1 THR A 22 3.146 -6.005 -9.225 1.00 0.00 O ATOM 194 CG2 THR A 22 3.590 -8.363 -9.033 1.00 0.00 C ATOM 0 H THR A 22 2.680 -5.353 -6.698 1.00 0.00 H new ATOM 0 HA THR A 22 1.203 -7.332 -8.024 1.00 0.00 H new ATOM 0 HB THR A 22 4.179 -6.863 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.445 -5.165 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.471 -8.241 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.763 -9.168 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.730 -8.609 -9.656 1.00 0.00 H new ATOM 202 N THR A 23 2.902 -8.250 -5.359 1.00 0.00 N ATOM 203 CA THR A 23 3.059 -9.311 -4.381 1.00 0.00 C ATOM 204 C THR A 23 1.805 -9.469 -3.514 1.00 0.00 C ATOM 205 O THR A 23 1.289 -10.577 -3.365 1.00 0.00 O ATOM 206 CB THR A 23 4.284 -9.051 -3.495 1.00 0.00 C ATOM 207 OG1 THR A 23 5.425 -8.797 -4.327 1.00 0.00 O ATOM 208 CG2 THR A 23 4.571 -10.243 -2.592 1.00 0.00 C ATOM 0 H THR A 23 3.357 -7.372 -5.108 1.00 0.00 H new ATOM 0 HA THR A 23 3.208 -10.241 -4.929 1.00 0.00 H new ATOM 0 HB THR A 23 4.077 -8.186 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.368 -7.889 -4.692 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.444 -10.030 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.710 -10.429 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.764 -11.124 -3.203 1.00 0.00 H new ATOM 216 N TYR A 24 1.317 -8.376 -2.929 1.00 0.00 N ATOM 217 CA TYR A 24 0.108 -8.423 -2.145 1.00 0.00 C ATOM 218 C TYR A 24 -0.960 -7.617 -2.863 1.00 0.00 C ATOM 219 O TYR A 24 -1.017 -6.400 -2.735 1.00 0.00 O ATOM 220 CB TYR A 24 0.364 -7.841 -0.752 1.00 0.00 C ATOM 221 CG TYR A 24 1.558 -8.445 -0.046 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.433 -9.584 0.732 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.820 -7.875 -0.175 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.530 -10.138 1.365 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.920 -8.424 0.452 1.00 0.00 C ATOM 226 CZ TYR A 24 3.769 -9.556 1.219 1.00 0.00 C ATOM 227 OH TYR A 24 4.863 -10.111 1.842 1.00 0.00 O ATOM 0 H TYR A 24 1.748 -7.453 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.223 -9.455 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.512 -6.765 -0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.524 -7.991 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.464 -10.046 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.941 -6.986 -0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.415 -11.024 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.893 -7.968 0.341 1.00 0.00 H new ATOM 0 HH TYR A 24 5.661 -9.580 1.637 1.00 0.00 H new ATOM 237 N SER A 25 -1.785 -8.282 -3.654 1.00 0.00 N ATOM 238 CA SER A 25 -2.795 -7.590 -4.433 1.00 0.00 C ATOM 239 C SER A 25 -3.935 -7.098 -3.546 1.00 0.00 C ATOM 240 O SER A 25 -4.907 -6.513 -4.028 1.00 0.00 O ATOM 241 CB SER A 25 -3.317 -8.515 -5.518 1.00 0.00 C ATOM 242 OG SER A 25 -2.242 -9.096 -6.238 1.00 0.00 O ATOM 0 H SER A 25 -1.775 -9.295 -3.773 1.00 0.00 H new ATOM 0 HA SER A 25 -2.342 -6.714 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.929 -9.299 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.960 -7.958 -6.200 1.00 0.00 H new ATOM 0 HG SER A 25 -2.596 -9.690 -6.932 1.00 0.00 H new ATOM 248 N ASN A 26 -3.807 -7.345 -2.249 1.00 0.00 N ATOM 249 CA ASN A 26 -4.729 -6.794 -1.272 1.00 0.00 C ATOM 250 C ASN A 26 -4.366 -5.339 -1.012 1.00 0.00 C ATOM 251 O ASN A 26 -5.167 -4.570 -0.483 1.00 0.00 O ATOM 252 CB ASN A 26 -4.691 -7.600 0.031 1.00 0.00 C ATOM 253 CG ASN A 26 -3.398 -7.416 0.803 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.396 -8.079 0.535 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.425 -6.545 1.798 1.00 0.00 N ATOM 0 H ASN A 26 -3.069 -7.926 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.744 -6.851 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.529 -7.302 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.824 -8.657 -0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.596 -6.404 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.275 -6.014 1.988 1.00 0.00 H new ATOM 262 N ILE A 27 -3.143 -4.974 -1.382 1.00 0.00 N ATOM 263 CA ILE A 27 -2.730 -3.583 -1.375 1.00 0.00 C ATOM 264 C ILE A 27 -3.282 -2.933 -2.633 1.00 0.00 C ATOM 265 O ILE A 27 -3.490 -3.613 -3.637 1.00 0.00 O ATOM 266 CB ILE A 27 -1.191 -3.415 -1.369 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.501 -4.533 -0.579 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.813 -2.049 -0.804 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.987 -4.329 -0.417 1.00 0.00 C ATOM 0 H ILE A 27 -2.422 -5.627 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.110 -3.119 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.845 -3.482 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.959 -4.605 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.676 -5.484 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.272 -1.942 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.255 -1.266 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.185 -1.962 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.408 -5.158 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.458 -4.287 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.171 -3.395 0.114 1.00 0.00 H new ATOM 281 N THR A 28 -3.533 -1.639 -2.598 1.00 0.00 N ATOM 282 CA THR A 28 -4.088 -0.962 -3.756 1.00 0.00 C ATOM 283 C THR A 28 -3.465 0.411 -3.931 1.00 0.00 C ATOM 284 O THR A 28 -3.479 1.229 -3.009 1.00 0.00 O ATOM 285 CB THR A 28 -5.628 -0.831 -3.657 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.012 -0.355 -2.362 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.310 -2.164 -3.926 1.00 0.00 C ATOM 0 H THR A 28 -3.364 -1.040 -1.790 1.00 0.00 H new ATOM 0 HA THR A 28 -3.853 -1.573 -4.628 1.00 0.00 H new ATOM 0 HB THR A 28 -5.945 -0.114 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.712 -0.990 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.390 -2.042 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.054 -2.508 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.975 -2.898 -3.193 1.00 0.00 H new ATOM 295 N LEU A 29 -2.890 0.648 -5.101 1.00 0.00 N ATOM 296 CA LEU A 29 -2.337 1.945 -5.415 1.00 0.00 C ATOM 297 C LEU A 29 -3.457 2.833 -5.917 1.00 0.00 C ATOM 298 O LEU A 29 -3.834 2.792 -7.088 1.00 0.00 O ATOM 299 CB LEU A 29 -1.211 1.828 -6.450 1.00 0.00 C ATOM 300 CG LEU A 29 -0.295 3.053 -6.569 1.00 0.00 C ATOM 301 CD1 LEU A 29 1.033 2.654 -7.181 1.00 0.00 C ATOM 302 CD2 LEU A 29 -0.939 4.149 -7.407 1.00 0.00 C ATOM 0 H LEU A 29 -2.797 -0.044 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.897 2.385 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.599 0.961 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.656 1.633 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.130 3.444 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.675 3.531 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.515 1.908 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.865 2.236 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.264 5.002 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.141 3.770 -8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.874 4.461 -6.942 1.00 0.00 H new ATOM 314 N GLU A 30 -4.004 3.606 -5.008 1.00 0.00 N ATOM 315 CA GLU A 30 -5.152 4.433 -5.301 1.00 0.00 C ATOM 316 C GLU A 30 -4.769 5.894 -5.187 1.00 0.00 C ATOM 317 O GLU A 30 -3.662 6.216 -4.747 1.00 0.00 O ATOM 318 CB GLU A 30 -6.299 4.116 -4.335 1.00 0.00 C ATOM 319 CG GLU A 30 -6.719 2.653 -4.329 1.00 0.00 C ATOM 320 CD GLU A 30 -7.194 2.168 -5.683 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.307 2.552 -6.098 1.00 0.00 O ATOM 322 OE2 GLU A 30 -6.462 1.393 -6.339 1.00 0.00 O ATOM 0 H GLU A 30 -3.668 3.680 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.487 4.226 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.000 4.401 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.161 4.729 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.878 2.041 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.516 2.513 -3.599 1.00 0.00 H new ATOM 329 N ASP A 31 -5.677 6.767 -5.603 1.00 0.00 N ATOM 330 CA ASP A 31 -5.477 8.210 -5.518 1.00 0.00 C ATOM 331 C ASP A 31 -4.347 8.652 -6.444 1.00 0.00 C ATOM 332 O ASP A 31 -3.807 9.745 -6.312 1.00 0.00 O ATOM 333 CB ASP A 31 -5.202 8.633 -4.065 1.00 0.00 C ATOM 334 CG ASP A 31 -5.098 10.135 -3.897 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.108 10.833 -4.136 1.00 0.00 O ATOM 336 OD2 ASP A 31 -4.009 10.619 -3.527 1.00 0.00 O ATOM 0 H ASP A 31 -6.573 6.496 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.391 8.706 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.999 8.255 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.275 8.170 -3.726 1.00 0.00 H new ATOM 341 N ASP A 32 -4.009 7.801 -7.407 1.00 0.00 N ATOM 342 CA ASP A 32 -2.949 8.100 -8.349 1.00 0.00 C ATOM 343 C ASP A 32 -3.318 9.296 -9.214 1.00 0.00 C ATOM 344 O ASP A 32 -4.047 9.184 -10.200 1.00 0.00 O ATOM 345 CB ASP A 32 -2.619 6.875 -9.206 1.00 0.00 C ATOM 346 CG ASP A 32 -3.818 6.290 -9.933 1.00 0.00 C ATOM 347 OD1 ASP A 32 -4.690 5.679 -9.275 1.00 0.00 O ATOM 348 OD2 ASP A 32 -3.879 6.409 -11.174 1.00 0.00 O ATOM 0 H ASP A 32 -4.459 6.897 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.054 8.360 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.861 7.151 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.182 6.106 -8.569 1.00 0.00 H new ATOM 353 N GLN A 33 -2.845 10.456 -8.798 1.00 0.00 N ATOM 354 CA GLN A 33 -3.114 11.696 -9.497 1.00 0.00 C ATOM 355 C GLN A 33 -1.808 12.417 -9.768 1.00 0.00 C ATOM 356 O GLN A 33 -1.673 13.621 -9.544 1.00 0.00 O ATOM 357 CB GLN A 33 -4.078 12.559 -8.676 1.00 0.00 C ATOM 358 CG GLN A 33 -5.379 11.832 -8.386 1.00 0.00 C ATOM 359 CD GLN A 33 -6.448 12.699 -7.747 1.00 0.00 C ATOM 360 OE1 GLN A 33 -7.179 13.411 -8.437 1.00 0.00 O ATOM 361 NE2 GLN A 33 -6.599 12.591 -6.437 1.00 0.00 N ATOM 0 H GLN A 33 -2.264 10.564 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.591 11.488 -10.455 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.603 12.842 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.290 13.482 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.769 11.422 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.171 10.988 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.974 11.991 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.341 13.108 -5.965 1.00 0.00 H new ATOM 370 N GLY A 34 -0.838 11.643 -10.234 1.00 0.00 N ATOM 371 CA GLY A 34 0.443 12.192 -10.611 1.00 0.00 C ATOM 372 C GLY A 34 1.360 12.389 -9.429 1.00 0.00 C ATOM 373 O GLY A 34 2.128 11.496 -9.072 1.00 0.00 O ATOM 0 H GLY A 34 -0.920 10.634 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.921 11.528 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.291 13.148 -11.112 1.00 0.00 H new ATOM 377 N SER A 35 1.261 13.549 -8.803 1.00 0.00 N ATOM 378 CA SER A 35 2.177 13.919 -7.738 1.00 0.00 C ATOM 379 C SER A 35 1.783 13.307 -6.395 1.00 0.00 C ATOM 380 O SER A 35 2.586 13.302 -5.464 1.00 0.00 O ATOM 381 CB SER A 35 2.262 15.439 -7.628 1.00 0.00 C ATOM 382 OG SER A 35 2.714 16.010 -8.845 1.00 0.00 O ATOM 0 H SER A 35 0.553 14.253 -9.015 1.00 0.00 H new ATOM 0 HA SER A 35 3.158 13.518 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.283 15.844 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.940 15.712 -6.820 1.00 0.00 H new ATOM 0 HG SER A 35 2.759 16.985 -8.752 1.00 0.00 H new ATOM 388 N HIS A 36 0.561 12.791 -6.279 1.00 0.00 N ATOM 389 CA HIS A 36 0.166 12.133 -5.044 1.00 0.00 C ATOM 390 C HIS A 36 -0.588 10.848 -5.331 1.00 0.00 C ATOM 391 O HIS A 36 -1.244 10.719 -6.365 1.00 0.00 O ATOM 392 CB HIS A 36 -0.654 13.059 -4.127 1.00 0.00 C ATOM 393 CG HIS A 36 -1.966 13.524 -4.686 1.00 0.00 C ATOM 394 ND1 HIS A 36 -3.155 12.867 -4.467 1.00 0.00 N ATOM 395 CD2 HIS A 36 -2.276 14.619 -5.417 1.00 0.00 C ATOM 396 CE1 HIS A 36 -4.131 13.538 -5.032 1.00 0.00 C ATOM 397 NE2 HIS A 36 -3.629 14.605 -5.617 1.00 0.00 N ATOM 0 H HIS A 36 -0.153 12.816 -7.007 1.00 0.00 H new ATOM 0 HA HIS A 36 1.082 11.883 -4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.843 12.538 -3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.049 13.934 -3.889 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -3.261 11.996 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.584 15.366 -5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.175 13.260 -5.019 1.00 0.00 H new ATOM 406 N PHE A 37 -0.433 9.898 -4.421 1.00 0.00 N ATOM 407 CA PHE A 37 -1.090 8.602 -4.493 1.00 0.00 C ATOM 408 C PHE A 37 -0.878 7.880 -3.171 1.00 0.00 C ATOM 409 O PHE A 37 0.015 8.248 -2.402 1.00 0.00 O ATOM 410 CB PHE A 37 -0.542 7.759 -5.657 1.00 0.00 C ATOM 411 CG PHE A 37 0.938 7.480 -5.586 1.00 0.00 C ATOM 412 CD1 PHE A 37 1.856 8.402 -6.068 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.409 6.292 -5.048 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.213 8.145 -6.010 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.763 6.031 -4.988 1.00 0.00 C ATOM 416 CZ PHE A 37 3.666 6.958 -5.471 1.00 0.00 C ATOM 0 H PHE A 37 0.162 10.008 -3.600 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.154 8.750 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.077 6.810 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.757 8.273 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.506 9.331 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.708 5.562 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.918 8.872 -6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.116 5.103 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.726 6.754 -5.427 1.00 0.00 H new ATOM 426 N ARG A 38 -1.692 6.875 -2.895 1.00 0.00 N ATOM 427 CA ARG A 38 -1.577 6.143 -1.640 1.00 0.00 C ATOM 428 C ARG A 38 -1.874 4.661 -1.812 1.00 0.00 C ATOM 429 O ARG A 38 -2.581 4.258 -2.736 1.00 0.00 O ATOM 430 CB ARG A 38 -2.522 6.743 -0.602 1.00 0.00 C ATOM 431 CG ARG A 38 -3.962 6.831 -1.070 1.00 0.00 C ATOM 432 CD ARG A 38 -4.838 7.508 -0.035 1.00 0.00 C ATOM 433 NE ARG A 38 -6.180 7.770 -0.546 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.198 8.161 0.216 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.029 8.304 1.525 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.383 8.405 -0.330 1.00 0.00 N ATOM 0 H ARG A 38 -2.433 6.548 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.545 6.234 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.480 6.141 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.173 7.741 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.009 7.385 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.342 5.830 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.904 6.879 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.377 8.446 0.273 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.347 7.646 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.119 8.114 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.809 8.604 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.514 8.293 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.162 8.705 0.256 1.00 0.00 H new ATOM 450 N LEU A 39 -1.331 3.856 -0.911 1.00 0.00 N ATOM 451 CA LEU A 39 -1.588 2.427 -0.910 1.00 0.00 C ATOM 452 C LEU A 39 -2.578 2.072 0.181 1.00 0.00 C ATOM 453 O LEU A 39 -2.292 2.201 1.372 1.00 0.00 O ATOM 454 CB LEU A 39 -0.304 1.627 -0.705 1.00 0.00 C ATOM 455 CG LEU A 39 0.732 1.756 -1.814 1.00 0.00 C ATOM 456 CD1 LEU A 39 2.021 1.069 -1.405 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.205 1.163 -3.110 1.00 0.00 C ATOM 0 H LEU A 39 -0.707 4.172 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.004 2.169 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.153 1.940 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.566 0.574 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 39 0.934 2.814 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.755 1.167 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.409 1.533 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.827 0.013 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.960 1.265 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.023 0.108 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.700 1.691 -3.410 1.00 0.00 H new ATOM 469 N VAL A 40 -3.750 1.654 -0.237 1.00 0.00 N ATOM 470 CA VAL A 40 -4.767 1.195 0.683 1.00 0.00 C ATOM 471 C VAL A 40 -4.687 -0.320 0.833 1.00 0.00 C ATOM 472 O VAL A 40 -4.769 -1.057 -0.146 1.00 0.00 O ATOM 473 CB VAL A 40 -6.181 1.592 0.211 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.228 1.163 1.229 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.263 3.091 -0.042 1.00 0.00 C ATOM 0 H VAL A 40 -4.025 1.622 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.584 1.673 1.645 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.384 1.075 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.218 1.453 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.190 0.081 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.027 1.648 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.269 3.349 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.035 3.628 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.544 3.370 -0.812 1.00 0.00 H new ATOM 485 N VAL A 41 -4.504 -0.774 2.055 1.00 0.00 N ATOM 486 CA VAL A 41 -4.448 -2.195 2.344 1.00 0.00 C ATOM 487 C VAL A 41 -5.851 -2.704 2.655 1.00 0.00 C ATOM 488 O VAL A 41 -6.470 -2.284 3.639 1.00 0.00 O ATOM 489 CB VAL A 41 -3.523 -2.487 3.539 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.496 -3.972 3.837 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.120 -1.977 3.268 1.00 0.00 C ATOM 0 H VAL A 41 -4.390 -0.175 2.872 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.047 -2.706 1.468 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.916 -1.964 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.837 -4.161 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.503 -4.313 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.128 -4.512 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.482 -2.193 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.718 -2.470 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.150 -0.900 3.101 1.00 0.00 H new ATOM 501 N ARG A 42 -6.357 -3.584 1.805 1.00 0.00 N ATOM 502 CA ARG A 42 -7.709 -4.098 1.952 1.00 0.00 C ATOM 503 C ARG A 42 -7.677 -5.567 2.356 1.00 0.00 C ATOM 504 O ARG A 42 -6.661 -6.241 2.183 1.00 0.00 O ATOM 505 CB ARG A 42 -8.473 -3.909 0.637 1.00 0.00 C ATOM 506 CG ARG A 42 -8.386 -2.484 0.098 1.00 0.00 C ATOM 507 CD ARG A 42 -8.892 -2.372 -1.332 1.00 0.00 C ATOM 508 NE ARG A 42 -10.346 -2.488 -1.432 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.023 -2.370 -2.576 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.376 -2.157 -3.717 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.345 -2.470 -2.576 1.00 0.00 N ATOM 0 H ARG A 42 -5.849 -3.958 1.003 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.222 -3.546 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.078 -4.599 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.520 -4.171 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.966 -1.820 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.351 -2.145 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.580 -1.414 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.428 -3.150 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.873 -2.670 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.359 -2.083 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.897 -2.067 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.844 -2.637 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.863 -2.380 -3.450 1.00 0.00 H new ATOM 525 N ASP A 43 -8.788 -6.049 2.894 1.00 0.00 N ATOM 526 CA ASP A 43 -8.885 -7.431 3.361 1.00 0.00 C ATOM 527 C ASP A 43 -9.501 -8.311 2.277 1.00 0.00 C ATOM 528 O ASP A 43 -9.625 -7.888 1.125 1.00 0.00 O ATOM 529 CB ASP A 43 -9.727 -7.515 4.643 1.00 0.00 C ATOM 530 CG ASP A 43 -11.224 -7.460 4.386 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.662 -6.647 3.548 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.963 -8.243 5.019 1.00 0.00 O ATOM 0 H ASP A 43 -9.640 -5.503 3.020 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.879 -7.788 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.489 -8.442 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.449 -6.695 5.306 1.00 0.00 H new ATOM 537 N THR A 44 -9.918 -9.518 2.655 1.00 0.00 N ATOM 538 CA THR A 44 -10.470 -10.478 1.707 1.00 0.00 C ATOM 539 C THR A 44 -11.763 -9.961 1.078 1.00 0.00 C ATOM 540 O THR A 44 -12.106 -10.322 -0.050 1.00 0.00 O ATOM 541 CB THR A 44 -10.732 -11.836 2.381 1.00 0.00 C ATOM 542 OG1 THR A 44 -11.418 -11.642 3.625 1.00 0.00 O ATOM 543 CG2 THR A 44 -9.431 -12.587 2.622 1.00 0.00 C ATOM 0 H THR A 44 -9.883 -9.854 3.618 1.00 0.00 H new ATOM 0 HA THR A 44 -9.728 -10.611 0.920 1.00 0.00 H new ATOM 0 HB THR A 44 -11.354 -12.432 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.583 -12.511 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.646 -13.543 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.930 -12.761 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.784 -11.995 3.270 1.00 0.00 H new ATOM 551 N GLU A 45 -12.470 -9.104 1.803 1.00 0.00 N ATOM 552 CA GLU A 45 -13.691 -8.497 1.299 1.00 0.00 C ATOM 553 C GLU A 45 -13.348 -7.292 0.431 1.00 0.00 C ATOM 554 O GLU A 45 -14.017 -7.011 -0.564 1.00 0.00 O ATOM 555 CB GLU A 45 -14.578 -8.067 2.468 1.00 0.00 C ATOM 556 CG GLU A 45 -15.885 -7.403 2.055 1.00 0.00 C ATOM 557 CD GLU A 45 -16.834 -8.353 1.357 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.765 -8.476 0.116 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.661 -8.981 2.047 1.00 0.00 O ATOM 0 H GLU A 45 -12.215 -8.813 2.747 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.231 -9.226 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.806 -8.942 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.018 -7.377 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.374 -6.994 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.667 -6.564 1.394 1.00 0.00 H new ATOM 566 N GLY A 46 -12.279 -6.603 0.801 1.00 0.00 N ATOM 567 CA GLY A 46 -11.912 -5.383 0.119 1.00 0.00 C ATOM 568 C GLY A 46 -12.126 -4.168 0.997 1.00 0.00 C ATOM 569 O GLY A 46 -12.203 -3.042 0.505 1.00 0.00 O ATOM 0 H GLY A 46 -11.658 -6.870 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.866 -5.435 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.502 -5.283 -0.792 1.00 0.00 H new ATOM 573 N ARG A 47 -12.228 -4.395 2.299 1.00 0.00 N ATOM 574 CA ARG A 47 -12.415 -3.319 3.252 1.00 0.00 C ATOM 575 C ARG A 47 -11.084 -2.647 3.553 1.00 0.00 C ATOM 576 O ARG A 47 -10.049 -3.306 3.580 1.00 0.00 O ATOM 577 CB ARG A 47 -12.994 -3.870 4.548 1.00 0.00 C ATOM 578 CG ARG A 47 -14.264 -4.681 4.370 1.00 0.00 C ATOM 579 CD ARG A 47 -14.675 -5.324 5.681 1.00 0.00 C ATOM 580 NE ARG A 47 -15.786 -6.257 5.522 1.00 0.00 N ATOM 581 CZ ARG A 47 -15.717 -7.546 5.849 1.00 0.00 C ATOM 582 NH1 ARG A 47 -14.573 -8.062 6.284 1.00 0.00 N ATOM 583 NH2 ARG A 47 -16.780 -8.325 5.710 1.00 0.00 N ATOM 0 H ARG A 47 -12.183 -5.324 2.718 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.101 -2.590 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.243 -4.495 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.199 -3.039 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.065 -4.037 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.107 -5.451 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.821 -5.850 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.957 -4.546 6.391 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.663 -5.903 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.746 -7.471 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.521 -9.049 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.653 -7.937 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.725 -9.312 5.961 1.00 0.00 H new ATOM 597 N MET A 48 -11.111 -1.344 3.780 1.00 0.00 N ATOM 598 CA MET A 48 -9.902 -0.614 4.132 1.00 0.00 C ATOM 599 C MET A 48 -9.486 -0.954 5.557 1.00 0.00 C ATOM 600 O MET A 48 -10.150 -0.565 6.516 1.00 0.00 O ATOM 601 CB MET A 48 -10.110 0.901 4.008 1.00 0.00 C ATOM 602 CG MET A 48 -10.516 1.374 2.618 1.00 0.00 C ATOM 603 SD MET A 48 -12.183 0.860 2.152 1.00 0.00 S ATOM 604 CE MET A 48 -12.292 1.540 0.499 1.00 0.00 C ATOM 0 H MET A 48 -11.953 -0.771 3.727 1.00 0.00 H new ATOM 0 HA MET A 48 -9.117 -0.912 3.437 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.876 1.209 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.187 1.406 4.294 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.453 2.461 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.806 0.987 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.268 1.306 0.073 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.164 2.622 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.511 1.106 -0.125 1.00 0.00 H new ATOM 614 N VAL A 49 -8.407 -1.704 5.691 1.00 0.00 N ATOM 615 CA VAL A 49 -7.883 -2.040 7.006 1.00 0.00 C ATOM 616 C VAL A 49 -6.787 -1.054 7.386 1.00 0.00 C ATOM 617 O VAL A 49 -6.602 -0.718 8.557 1.00 0.00 O ATOM 618 CB VAL A 49 -7.323 -3.480 7.043 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.875 -3.851 8.450 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.355 -4.471 6.530 1.00 0.00 C ATOM 0 H VAL A 49 -7.877 -2.091 4.910 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.703 -1.980 7.722 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.453 -3.522 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.485 -4.869 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.095 -3.163 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.724 -3.787 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.941 -5.479 6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.247 -4.424 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.619 -4.222 5.502 1.00 0.00 H new ATOM 630 N TRP A 50 -6.090 -0.569 6.371 1.00 0.00 N ATOM 631 CA TRP A 50 -4.983 0.358 6.560 1.00 0.00 C ATOM 632 C TRP A 50 -4.732 1.117 5.261 1.00 0.00 C ATOM 633 O TRP A 50 -5.130 0.663 4.194 1.00 0.00 O ATOM 634 CB TRP A 50 -3.728 -0.411 7.006 1.00 0.00 C ATOM 635 CG TRP A 50 -2.489 0.432 7.093 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.402 0.364 6.274 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.211 1.469 8.044 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.466 1.293 6.652 1.00 0.00 N ATOM 639 CE2 TRP A 50 -0.937 1.984 7.736 1.00 0.00 C ATOM 640 CE3 TRP A 50 -2.914 2.013 9.124 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.352 3.012 8.467 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.330 3.036 9.848 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.062 3.528 9.516 1.00 0.00 C ATOM 0 H TRP A 50 -6.274 -0.805 5.396 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.231 1.078 7.339 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.918 -0.860 7.981 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.549 -1.229 6.308 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.293 -0.322 5.447 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.435 1.444 6.199 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.893 1.641 9.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.628 3.390 8.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.862 3.463 10.685 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.636 4.331 10.100 1.00 0.00 H new ATOM 654 N ARG A 51 -4.101 2.279 5.353 1.00 0.00 N ATOM 655 CA ARG A 51 -3.787 3.076 4.179 1.00 0.00 C ATOM 656 C ARG A 51 -2.683 4.073 4.503 1.00 0.00 C ATOM 657 O ARG A 51 -2.666 4.671 5.583 1.00 0.00 O ATOM 658 CB ARG A 51 -5.035 3.807 3.677 1.00 0.00 C ATOM 659 CG ARG A 51 -5.725 4.611 4.767 1.00 0.00 C ATOM 660 CD ARG A 51 -7.056 5.181 4.314 1.00 0.00 C ATOM 661 NE ARG A 51 -7.767 5.794 5.433 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.091 5.783 5.583 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.870 5.295 4.625 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.631 6.280 6.689 1.00 0.00 N ATOM 0 H ARG A 51 -3.796 2.691 6.235 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.438 2.410 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.756 4.474 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.737 3.080 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.883 3.975 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.073 5.426 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.892 5.922 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.666 4.389 3.880 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.212 6.263 6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.456 4.926 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.883 5.289 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.033 6.668 7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.644 6.274 6.809 1.00 0.00 H new ATOM 678 N ALA A 52 -1.758 4.232 3.577 1.00 0.00 N ATOM 679 CA ALA A 52 -0.659 5.168 3.743 1.00 0.00 C ATOM 680 C ALA A 52 -0.330 5.823 2.417 1.00 0.00 C ATOM 681 O ALA A 52 -0.464 5.196 1.364 1.00 0.00 O ATOM 682 CB ALA A 52 0.566 4.461 4.305 1.00 0.00 C ATOM 0 H ALA A 52 -1.745 3.721 2.694 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.962 5.940 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.378 5.178 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.323 4.027 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.876 3.671 3.621 1.00 0.00 H new ATOM 688 N TRP A 53 0.073 7.080 2.466 1.00 0.00 N ATOM 689 CA TRP A 53 0.482 7.792 1.279 1.00 0.00 C ATOM 690 C TRP A 53 1.944 7.490 0.998 1.00 0.00 C ATOM 691 O TRP A 53 2.498 6.523 1.515 1.00 0.00 O ATOM 692 CB TRP A 53 0.303 9.295 1.468 1.00 0.00 C ATOM 693 CG TRP A 53 -1.037 9.702 1.947 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.450 9.708 3.228 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.126 10.192 1.161 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.735 10.159 3.301 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.177 10.465 2.046 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.314 10.425 -0.204 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.407 10.957 1.617 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.533 10.913 -0.631 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.565 11.178 0.277 1.00 0.00 C ATOM 0 H TRP A 53 0.124 7.628 3.325 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.136 7.469 0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.051 9.650 2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.502 9.793 0.519 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.852 9.401 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.280 10.253 4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.522 10.227 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.206 11.156 2.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.693 11.093 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.505 11.565 -0.088 1.00 0.00 H new ATOM 712 N ASN A 54 2.573 8.342 0.215 1.00 0.00 N ATOM 713 CA ASN A 54 3.944 8.102 -0.222 1.00 0.00 C ATOM 714 C ASN A 54 4.915 9.043 0.487 1.00 0.00 C ATOM 715 O ASN A 54 6.126 8.989 0.265 1.00 0.00 O ATOM 716 CB ASN A 54 4.042 8.277 -1.747 1.00 0.00 C ATOM 717 CG ASN A 54 5.317 7.694 -2.337 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.378 6.509 -2.647 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.331 8.523 -2.528 1.00 0.00 N ATOM 0 H ASN A 54 2.162 9.208 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 54 4.218 7.080 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.181 7.801 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.990 9.339 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.197 8.182 -2.945 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.246 9.503 -2.258 1.00 0.00 H new ATOM 726 N PHE A 55 4.391 9.887 1.368 1.00 0.00 N ATOM 727 CA PHE A 55 5.213 10.913 1.991 1.00 0.00 C ATOM 728 C PHE A 55 5.314 10.750 3.506 1.00 0.00 C ATOM 729 O PHE A 55 5.924 11.583 4.178 1.00 0.00 O ATOM 730 CB PHE A 55 4.698 12.313 1.632 1.00 0.00 C ATOM 731 CG PHE A 55 3.226 12.519 1.864 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.734 12.780 3.134 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.336 12.468 0.803 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.384 12.982 3.339 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.985 12.667 1.002 1.00 0.00 C ATOM 736 CZ PHE A 55 0.509 12.926 2.273 1.00 0.00 C ATOM 0 H PHE A 55 3.415 9.881 1.663 1.00 0.00 H new ATOM 0 HA PHE A 55 6.220 10.792 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.251 13.049 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.918 12.508 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.414 12.826 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.705 12.270 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.013 13.184 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.302 12.620 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.547 13.085 2.432 1.00 0.00 H new ATOM 746 N GLU A 56 4.717 9.698 4.053 1.00 0.00 N ATOM 747 CA GLU A 56 4.893 9.394 5.466 1.00 0.00 C ATOM 748 C GLU A 56 6.339 9.006 5.742 1.00 0.00 C ATOM 749 O GLU A 56 6.909 8.177 5.023 1.00 0.00 O ATOM 750 CB GLU A 56 3.955 8.276 5.937 1.00 0.00 C ATOM 751 CG GLU A 56 2.519 8.723 6.151 1.00 0.00 C ATOM 752 CD GLU A 56 1.680 8.661 4.894 1.00 0.00 C ATOM 753 OE1 GLU A 56 2.102 9.216 3.861 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.582 8.062 4.945 1.00 0.00 O ATOM 0 H GLU A 56 4.114 9.049 3.547 1.00 0.00 H new ATOM 0 HA GLU A 56 4.641 10.294 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.968 7.471 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.339 7.863 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.061 8.097 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.516 9.744 6.531 1.00 0.00 H new ATOM 761 N PRO A 57 6.939 9.602 6.794 1.00 0.00 N ATOM 762 CA PRO A 57 8.351 9.395 7.159 1.00 0.00 C ATOM 763 C PRO A 57 8.766 7.927 7.162 1.00 0.00 C ATOM 764 O PRO A 57 9.912 7.595 6.864 1.00 0.00 O ATOM 765 CB PRO A 57 8.431 9.974 8.570 1.00 0.00 C ATOM 766 CG PRO A 57 7.392 11.039 8.592 1.00 0.00 C ATOM 767 CD PRO A 57 6.271 10.539 7.721 1.00 0.00 C ATOM 0 HA PRO A 57 9.023 9.864 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.235 9.212 9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.421 10.380 8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.044 11.225 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.790 11.981 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.500 10.040 8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.786 11.355 7.185 1.00 0.00 H new ATOM 775 N ASP A 58 7.835 7.054 7.510 1.00 0.00 N ATOM 776 CA ASP A 58 8.076 5.625 7.434 1.00 0.00 C ATOM 777 C ASP A 58 6.783 4.913 7.065 1.00 0.00 C ATOM 778 O ASP A 58 6.240 4.140 7.853 1.00 0.00 O ATOM 779 CB ASP A 58 8.624 5.084 8.761 1.00 0.00 C ATOM 780 CG ASP A 58 9.488 3.848 8.572 1.00 0.00 C ATOM 781 OD1 ASP A 58 9.048 2.895 7.896 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.631 3.838 9.085 1.00 0.00 O ATOM 0 H ASP A 58 6.907 7.311 7.847 1.00 0.00 H new ATOM 0 HA ASP A 58 8.826 5.438 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.209 5.861 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.792 4.844 9.423 1.00 0.00 H new ATOM 787 N ALA A 59 6.266 5.214 5.871 1.00 0.00 N ATOM 788 CA ALA A 59 5.015 4.615 5.403 1.00 0.00 C ATOM 789 C ALA A 59 5.116 3.093 5.370 1.00 0.00 C ATOM 790 O ALA A 59 4.147 2.377 5.662 1.00 0.00 O ATOM 791 CB ALA A 59 4.655 5.149 4.024 1.00 0.00 C ATOM 0 H ALA A 59 6.693 5.866 5.213 1.00 0.00 H new ATOM 0 HA ALA A 59 4.226 4.889 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.723 4.694 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.534 6.231 4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.451 4.905 3.320 1.00 0.00 H new ATOM 797 N GLY A 60 6.302 2.612 5.028 1.00 0.00 N ATOM 798 CA GLY A 60 6.548 1.189 4.956 1.00 0.00 C ATOM 799 C GLY A 60 6.305 0.468 6.260 1.00 0.00 C ATOM 800 O GLY A 60 5.782 -0.641 6.257 1.00 0.00 O ATOM 0 H GLY A 60 7.108 3.192 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.909 0.756 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.579 1.022 4.645 1.00 0.00 H new ATOM 804 N GLU A 61 6.656 1.092 7.377 1.00 0.00 N ATOM 805 CA GLU A 61 6.559 0.429 8.670 1.00 0.00 C ATOM 806 C GLU A 61 5.117 0.021 8.975 1.00 0.00 C ATOM 807 O GLU A 61 4.875 -1.059 9.520 1.00 0.00 O ATOM 808 CB GLU A 61 7.098 1.328 9.780 1.00 0.00 C ATOM 809 CG GLU A 61 7.235 0.621 11.117 1.00 0.00 C ATOM 810 CD GLU A 61 7.771 1.526 12.201 1.00 0.00 C ATOM 811 OE1 GLU A 61 6.962 2.214 12.858 1.00 0.00 O ATOM 812 OE2 GLU A 61 9.003 1.550 12.408 1.00 0.00 O ATOM 0 H GLU A 61 7.008 2.049 7.414 1.00 0.00 H new ATOM 0 HA GLU A 61 7.167 -0.474 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.072 1.717 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.435 2.185 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.262 0.234 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.898 -0.237 11.004 1.00 0.00 H new ATOM 819 N GLY A 62 4.165 0.877 8.610 1.00 0.00 N ATOM 820 CA GLY A 62 2.761 0.572 8.838 1.00 0.00 C ATOM 821 C GLY A 62 2.255 -0.508 7.901 1.00 0.00 C ATOM 822 O GLY A 62 1.558 -1.440 8.320 1.00 0.00 O ATOM 0 H GLY A 62 4.340 1.776 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.623 0.250 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.167 1.476 8.704 1.00 0.00 H new ATOM 826 N LEU A 63 2.617 -0.386 6.630 1.00 0.00 N ATOM 827 CA LEU A 63 2.236 -1.371 5.625 1.00 0.00 C ATOM 828 C LEU A 63 2.838 -2.733 5.965 1.00 0.00 C ATOM 829 O LEU A 63 2.130 -3.738 6.015 1.00 0.00 O ATOM 830 CB LEU A 63 2.694 -0.907 4.238 1.00 0.00 C ATOM 831 CG LEU A 63 2.086 0.416 3.758 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.814 0.926 2.526 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.607 0.245 3.460 1.00 0.00 C ATOM 0 H LEU A 63 3.176 0.388 6.270 1.00 0.00 H new ATOM 0 HA LEU A 63 1.150 -1.470 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.779 -0.808 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.450 -1.684 3.514 1.00 0.00 H new ATOM 0 HG LEU A 63 2.199 1.151 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.367 1.866 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.865 1.088 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.733 0.191 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.192 1.194 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.477 -0.507 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.088 -0.075 4.364 1.00 0.00 H new ATOM 845 N ASN A 64 4.144 -2.746 6.231 1.00 0.00 N ATOM 846 CA ASN A 64 4.857 -3.976 6.578 1.00 0.00 C ATOM 847 C ASN A 64 4.333 -4.558 7.880 1.00 0.00 C ATOM 848 O ASN A 64 4.391 -5.766 8.093 1.00 0.00 O ATOM 849 CB ASN A 64 6.365 -3.727 6.698 1.00 0.00 C ATOM 850 CG ASN A 64 7.007 -3.358 5.375 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.551 -3.773 4.310 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.070 -2.573 5.431 1.00 0.00 N ATOM 0 H ASN A 64 4.733 -1.913 6.213 1.00 0.00 H new ATOM 0 HA ASN A 64 4.682 -4.690 5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.540 -2.927 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.846 -4.622 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.542 -2.291 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.418 -2.249 6.334 1.00 0.00 H new ATOM 859 N ARG A 65 3.825 -3.689 8.751 1.00 0.00 N ATOM 860 CA ARG A 65 3.198 -4.123 9.992 1.00 0.00 C ATOM 861 C ARG A 65 2.057 -5.080 9.691 1.00 0.00 C ATOM 862 O ARG A 65 1.993 -6.177 10.245 1.00 0.00 O ATOM 863 CB ARG A 65 2.675 -2.915 10.775 1.00 0.00 C ATOM 864 CG ARG A 65 1.683 -3.267 11.871 1.00 0.00 C ATOM 865 CD ARG A 65 1.078 -2.018 12.487 1.00 0.00 C ATOM 866 NE ARG A 65 -0.333 -2.211 12.808 1.00 0.00 N ATOM 867 CZ ARG A 65 -1.031 -1.422 13.622 1.00 0.00 C ATOM 868 NH1 ARG A 65 -0.445 -0.411 14.249 1.00 0.00 N ATOM 869 NH2 ARG A 65 -2.323 -1.650 13.805 1.00 0.00 N ATOM 0 H ARG A 65 3.837 -2.678 8.617 1.00 0.00 H new ATOM 0 HA ARG A 65 3.943 -4.637 10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.521 -2.391 11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.201 -2.223 10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.891 -3.893 11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.183 -3.851 12.644 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.626 -1.755 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.184 -1.182 11.796 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.815 -3.002 12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.549 -0.232 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.989 0.188 14.871 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.777 -2.426 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.864 -1.049 14.427 1.00 0.00 H new ATOM 883 N TYR A 66 1.170 -4.668 8.795 1.00 0.00 N ATOM 884 CA TYR A 66 0.037 -5.497 8.427 1.00 0.00 C ATOM 885 C TYR A 66 0.492 -6.685 7.578 1.00 0.00 C ATOM 886 O TYR A 66 -0.012 -7.795 7.735 1.00 0.00 O ATOM 887 CB TYR A 66 -1.014 -4.680 7.677 1.00 0.00 C ATOM 888 CG TYR A 66 -2.232 -5.485 7.290 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.282 -5.666 8.177 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.319 -6.075 6.041 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.391 -6.412 7.825 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.424 -6.820 5.678 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.457 -6.988 6.574 1.00 0.00 C ATOM 894 OH TYR A 66 -5.562 -7.730 6.218 1.00 0.00 O ATOM 0 H TYR A 66 1.215 -3.770 8.314 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.414 -5.878 9.343 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.324 -3.841 8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.564 -4.260 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.233 -5.217 9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.509 -5.951 5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.202 -6.543 8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.478 -7.268 4.697 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.895 -7.424 5.348 1.00 0.00 H new ATOM 904 N ILE A 67 1.450 -6.442 6.689 1.00 0.00 N ATOM 905 CA ILE A 67 2.013 -7.496 5.842 1.00 0.00 C ATOM 906 C ILE A 67 2.583 -8.631 6.691 1.00 0.00 C ATOM 907 O ILE A 67 2.367 -9.809 6.403 1.00 0.00 O ATOM 908 CB ILE A 67 3.127 -6.928 4.929 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.537 -5.938 3.922 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.869 -8.047 4.209 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.585 -5.186 3.128 1.00 0.00 C ATOM 0 H ILE A 67 1.857 -5.520 6.534 1.00 0.00 H new ATOM 0 HA ILE A 67 1.206 -7.887 5.222 1.00 0.00 H new ATOM 0 HB ILE A 67 3.845 -6.400 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.888 -6.477 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.912 -5.221 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.646 -7.619 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.325 -8.712 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.168 -8.611 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.095 -4.503 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.220 -4.619 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.196 -5.895 2.569 1.00 0.00 H new ATOM 923 N ARG A 68 3.301 -8.262 7.738 1.00 0.00 N ATOM 924 CA ARG A 68 3.919 -9.225 8.634 1.00 0.00 C ATOM 925 C ARG A 68 2.876 -10.043 9.400 1.00 0.00 C ATOM 926 O ARG A 68 3.021 -11.256 9.558 1.00 0.00 O ATOM 927 CB ARG A 68 4.854 -8.485 9.598 1.00 0.00 C ATOM 928 CG ARG A 68 5.089 -9.197 10.916 1.00 0.00 C ATOM 929 CD ARG A 68 6.122 -8.465 11.761 1.00 0.00 C ATOM 930 NE ARG A 68 5.954 -7.010 11.696 1.00 0.00 N ATOM 931 CZ ARG A 68 5.542 -6.253 12.713 1.00 0.00 C ATOM 932 NH1 ARG A 68 5.188 -6.806 13.865 1.00 0.00 N ATOM 933 NH2 ARG A 68 5.469 -4.933 12.564 1.00 0.00 N ATOM 0 H ARG A 68 3.472 -7.289 7.991 1.00 0.00 H new ATOM 0 HA ARG A 68 4.495 -9.934 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.815 -8.331 9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.438 -7.498 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.151 -9.269 11.466 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.426 -10.216 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.041 -8.793 12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.123 -8.730 11.420 1.00 0.00 H new ATOM 0 HE ARG A 68 6.167 -6.546 10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.230 -7.819 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.874 -6.219 14.638 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.728 -4.505 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.154 -4.349 13.339 1.00 0.00 H new ATOM 947 N THR A 69 1.824 -9.385 9.869 1.00 0.00 N ATOM 948 CA THR A 69 0.818 -10.051 10.666 1.00 0.00 C ATOM 949 C THR A 69 -0.156 -10.851 9.803 1.00 0.00 C ATOM 950 O THR A 69 -0.468 -12.005 10.109 1.00 0.00 O ATOM 951 CB THR A 69 0.041 -9.029 11.516 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.441 -7.957 10.689 1.00 0.00 O ATOM 953 CG2 THR A 69 0.921 -8.465 12.623 1.00 0.00 C ATOM 0 H THR A 69 1.651 -8.393 9.708 1.00 0.00 H new ATOM 0 HA THR A 69 1.337 -10.750 11.322 1.00 0.00 H new ATOM 0 HB THR A 69 -0.807 -9.542 11.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.264 -7.285 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.351 -7.745 13.210 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.257 -9.276 13.269 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.786 -7.970 12.183 1.00 0.00 H new ATOM 961 N SER A 70 -0.612 -10.249 8.710 1.00 0.00 N ATOM 962 CA SER A 70 -1.642 -10.857 7.879 1.00 0.00 C ATOM 963 C SER A 70 -1.466 -10.490 6.405 1.00 0.00 C ATOM 964 O SER A 70 -2.367 -9.925 5.791 1.00 0.00 O ATOM 965 CB SER A 70 -3.030 -10.413 8.359 1.00 0.00 C ATOM 966 OG SER A 70 -3.232 -10.714 9.733 1.00 0.00 O ATOM 0 H SER A 70 -0.284 -9.341 8.380 1.00 0.00 H new ATOM 0 HA SER A 70 -1.548 -11.939 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.144 -9.341 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.797 -10.907 7.762 1.00 0.00 H new ATOM 0 HG SER A 70 -4.125 -10.416 10.005 1.00 0.00 H new ATOM 972 N GLY A 71 -0.299 -10.783 5.849 1.00 0.00 N ATOM 973 CA GLY A 71 -0.102 -10.603 4.420 1.00 0.00 C ATOM 974 C GLY A 71 -0.994 -11.525 3.604 1.00 0.00 C ATOM 975 O GLY A 71 -1.032 -12.732 3.847 1.00 0.00 O ATOM 0 H GLY A 71 0.511 -11.140 6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.310 -9.567 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.942 -10.794 4.171 1.00 0.00 H new ATOM 979 N ILE A 72 -1.695 -10.965 2.623 1.00 0.00 N ATOM 980 CA ILE A 72 -2.674 -11.725 1.840 1.00 0.00 C ATOM 981 C ILE A 72 -1.981 -12.545 0.731 1.00 0.00 C ATOM 982 O ILE A 72 -2.616 -13.274 -0.022 1.00 0.00 O ATOM 983 CB ILE A 72 -3.786 -10.773 1.275 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.812 -10.432 2.364 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.519 -11.339 0.063 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.295 -9.519 3.453 1.00 0.00 C ATOM 0 H ILE A 72 -1.606 -9.987 2.348 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.167 -12.442 2.497 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.262 -9.875 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.677 -9.963 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.160 -11.359 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.272 -10.626 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.806 -11.519 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.003 -12.277 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.087 -9.332 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.450 -9.991 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.975 -8.574 3.014 1.00 0.00 H new ATOM 998 N ARG A 73 -0.652 -12.481 0.685 1.00 0.00 N ATOM 999 CA ARG A 73 0.122 -13.253 -0.297 1.00 0.00 C ATOM 1000 C ARG A 73 -0.159 -14.756 -0.183 1.00 0.00 C ATOM 1001 O ARG A 73 0.101 -15.524 -1.113 1.00 0.00 O ATOM 1002 CB ARG A 73 1.611 -12.984 -0.126 1.00 0.00 C ATOM 1003 CG ARG A 73 2.502 -13.911 -0.939 1.00 0.00 C ATOM 1004 CD ARG A 73 3.976 -13.593 -0.765 1.00 0.00 C ATOM 1005 NE ARG A 73 4.816 -14.697 -1.224 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.796 -14.582 -2.116 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.061 -13.409 -2.684 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.509 -15.649 -2.442 1.00 0.00 N ATOM 0 H ARG A 73 -0.087 -11.907 1.311 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.189 -12.930 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.819 -11.953 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.869 -13.081 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.318 -14.943 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.238 -13.833 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.223 -12.689 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.184 -13.387 0.285 1.00 0.00 H new ATOM 0 HE ARG A 73 4.638 -15.622 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.511 -12.587 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.815 -13.332 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.305 -16.550 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.262 -15.570 -3.125 1.00 0.00 H new ATOM 1022 N THR A 74 -0.707 -15.166 0.957 1.00 0.00 N ATOM 1023 CA THR A 74 -1.171 -16.534 1.149 1.00 0.00 C ATOM 1024 C THR A 74 -2.178 -16.913 0.054 1.00 0.00 C ATOM 1025 O THR A 74 -2.469 -18.092 -0.172 1.00 0.00 O ATOM 1026 CB THR A 74 -1.831 -16.677 2.533 1.00 0.00 C ATOM 1027 OG1 THR A 74 -1.008 -16.060 3.534 1.00 0.00 O ATOM 1028 CG2 THR A 74 -2.046 -18.138 2.890 1.00 0.00 C ATOM 0 H THR A 74 -0.841 -14.563 1.768 1.00 0.00 H new ATOM 0 HA THR A 74 -0.314 -17.204 1.089 1.00 0.00 H new ATOM 0 HB THR A 74 -2.801 -16.182 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.435 -16.153 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.513 -18.208 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.693 -18.603 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.086 -18.653 2.908 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.682 -15.898 -0.641 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.625 -16.102 -1.728 1.00 0.00 C ATOM 1038 C ASP A 75 -3.484 -15.003 -2.751 1.00 0.00 C ATOM 1039 O ASP A 75 -3.929 -13.868 -2.567 1.00 0.00 O ATOM 1040 CB ASP A 75 -5.051 -16.144 -1.232 1.00 0.00 C ATOM 1041 CG ASP A 75 -6.013 -16.687 -2.270 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.991 -17.914 -2.516 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -6.802 -15.897 -2.832 1.00 0.00 O ATOM 0 H ASP A 75 -2.449 -14.920 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.394 -17.065 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.102 -16.762 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.362 -15.140 -0.944 1.00 0.00 H new TER 1048 ASP A 75