USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 433 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 756 ASN : amide:sc= -1.33 X(o=-3.6,f=-3.2) USER MOD Set 1.2: A 759 GLN : amide:sc= -0.712 K(o=-3.6,f=-4.7!) USER MOD Set 1.3: A 768 GLN : amide:sc= -1.56 K(o=-3.6,f=-6.7!) USER MOD Single : A 738 GLN : amide:sc=0.000177 X(o=0.00018,f=0) USER MOD Single : A 739 THR OG1 : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 744 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 747 TYR OH : rot 180:sc= 0 USER MOD Single : A 755 GLN : amide:sc=-0.00717 X(o=-0.0072,f=-0.16) USER MOD Single : A 757 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 761 LYS NZ :NH3+ -160:sc= -0.0505 (180deg=-0.375) USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 765 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 766 GLN : amide:sc= -0.0362 K(o=-0.036,f=-0.87) USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 782 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.1!) USER MOD Single : A 783 TYR OH : rot 180:sc= 0 USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 786 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 737 -4.065 -1.808 -0.968 1.00 43.20 N1+ ATOM 2 CA LEU A 737 -3.251 -2.175 -2.123 1.00 34.50 C ATOM 3 C LEU A 737 -1.777 -2.267 -1.744 1.00 23.14 C ATOM 4 O LEU A 737 -0.951 -1.504 -2.242 1.00 3.42 O ATOM 5 CB LEU A 737 -3.438 -1.157 -3.249 1.00 11.11 C ATOM 6 CG LEU A 737 -4.863 -0.643 -3.459 1.00 75.45 C ATOM 7 CD1 LEU A 737 -5.092 0.636 -2.671 1.00 21.11 C ATOM 8 CD2 LEU A 737 -5.134 -0.416 -4.939 1.00 74.44 C ATOM 0 HA LEU A 737 -3.579 -3.155 -2.470 1.00 34.50 H new ATOM 0 HB2 LEU A 737 -2.791 -0.303 -3.051 1.00 11.11 H new ATOM 0 HB3 LEU A 737 -3.095 -1.608 -4.180 1.00 11.11 H new ATOM 0 HG LEU A 737 -5.559 -1.398 -3.094 1.00 75.45 H new ATOM 0 HD11 LEU A 737 -6.111 0.986 -2.834 1.00 21.11 H new ATOM 0 HD12 LEU A 737 -4.940 0.441 -1.609 1.00 21.11 H new ATOM 0 HD13 LEU A 737 -4.389 1.399 -3.004 1.00 21.11 H new ATOM 0 HD21 LEU A 737 -6.152 -0.050 -5.071 1.00 74.44 H new ATOM 0 HD22 LEU A 737 -4.431 0.320 -5.329 1.00 74.44 H new ATOM 0 HD23 LEU A 737 -5.013 -1.355 -5.479 1.00 74.44 H new ATOM 20 N GLN A 738 -1.455 -3.206 -0.860 1.00 35.43 N ATOM 21 CA GLN A 738 -0.080 -3.397 -0.415 1.00 54.22 C ATOM 22 C GLN A 738 0.053 -4.674 0.409 1.00 24.14 C ATOM 23 O GLN A 738 -0.926 -5.386 0.635 1.00 41.54 O ATOM 24 CB GLN A 738 0.384 -2.194 0.408 1.00 10.03 C ATOM 25 CG GLN A 738 1.639 -1.533 -0.136 1.00 0.10 C ATOM 26 CD GLN A 738 1.575 -0.019 -0.075 1.00 32.34 C ATOM 27 OE1 GLN A 738 1.931 0.588 0.935 1.00 24.13 O ATOM 28 NE2 GLN A 738 1.119 0.599 -1.158 1.00 42.14 N ATOM 0 H GLN A 738 -2.128 -3.846 -0.438 1.00 35.43 H new ATOM 0 HA GLN A 738 0.552 -3.489 -1.298 1.00 54.22 H new ATOM 0 HB2 GLN A 738 -0.419 -1.457 0.443 1.00 10.03 H new ATOM 0 HB3 GLN A 738 0.568 -2.515 1.433 1.00 10.03 H new ATOM 0 HG2 GLN A 738 2.503 -1.879 0.432 1.00 0.10 H new ATOM 0 HG3 GLN A 738 1.791 -1.845 -1.169 1.00 0.10 H new ATOM 0 HE21 GLN A 738 0.835 0.056 -1.973 1.00 42.14 H new ATOM 0 HE22 GLN A 738 1.053 1.617 -1.175 1.00 42.14 H new ATOM 37 N THR A 739 1.272 -4.959 0.856 1.00 42.11 N ATOM 38 CA THR A 739 1.534 -6.150 1.653 1.00 33.22 C ATOM 39 C THR A 739 0.614 -6.213 2.868 1.00 43.35 C ATOM 40 O THR A 739 0.150 -7.286 3.254 1.00 62.14 O ATOM 41 CB THR A 739 2.998 -6.197 2.131 1.00 70.04 C ATOM 42 OG1 THR A 739 3.882 -6.125 1.006 1.00 21.25 O ATOM 43 CG2 THR A 739 3.271 -7.470 2.917 1.00 43.02 C ATOM 0 H THR A 739 2.093 -4.381 0.679 1.00 42.11 H new ATOM 0 HA THR A 739 1.342 -7.008 1.009 1.00 33.22 H new ATOM 0 HB THR A 739 3.172 -5.342 2.785 1.00 70.04 H new ATOM 0 HG1 THR A 739 4.811 -6.154 1.317 1.00 21.25 H new ATOM 0 HG21 THR A 739 4.311 -7.480 3.244 1.00 43.02 H new ATOM 0 HG22 THR A 739 2.617 -7.507 3.788 1.00 43.02 H new ATOM 0 HG23 THR A 739 3.081 -8.336 2.283 1.00 43.02 H new ATOM 51 N LYS A 740 0.353 -5.056 3.467 1.00 42.15 N ATOM 52 CA LYS A 740 -0.514 -4.978 4.637 1.00 62.55 C ATOM 53 C LYS A 740 -1.880 -5.589 4.343 1.00 21.41 C ATOM 54 O LYS A 740 -2.304 -6.533 5.009 1.00 34.43 O ATOM 55 CB LYS A 740 -0.679 -3.522 5.078 1.00 23.43 C ATOM 56 CG LYS A 740 0.469 -3.012 5.932 1.00 5.20 C ATOM 57 CD LYS A 740 1.692 -2.691 5.088 1.00 0.31 C ATOM 58 CE LYS A 740 2.768 -3.754 5.239 1.00 63.25 C ATOM 59 NZ LYS A 740 3.841 -3.329 6.180 1.00 42.21 N1+ ATOM 0 H LYS A 740 0.730 -4.159 3.161 1.00 42.15 H new ATOM 0 HA LYS A 740 -0.048 -5.545 5.443 1.00 62.55 H new ATOM 0 HB2 LYS A 740 -0.771 -2.891 4.194 1.00 23.43 H new ATOM 0 HB3 LYS A 740 -1.609 -3.424 5.638 1.00 23.43 H new ATOM 0 HG2 LYS A 740 0.154 -2.119 6.472 1.00 5.20 H new ATOM 0 HG3 LYS A 740 0.728 -3.761 6.680 1.00 5.20 H new ATOM 0 HD2 LYS A 740 1.402 -2.612 4.040 1.00 0.31 H new ATOM 0 HD3 LYS A 740 2.094 -1.721 5.382 1.00 0.31 H new ATOM 0 HE2 LYS A 740 2.316 -4.679 5.597 1.00 63.25 H new ATOM 0 HE3 LYS A 740 3.205 -3.969 4.264 1.00 63.25 H new ATOM 0 HZ1 LYS A 740 4.555 -4.081 6.255 1.00 42.21 H new ATOM 0 HZ2 LYS A 740 4.290 -2.460 5.826 1.00 42.21 H new ATOM 0 HZ3 LYS A 740 3.429 -3.148 7.118 1.00 42.21 H new ATOM 73 N ASP A 741 -2.564 -5.045 3.341 1.00 23.42 N ATOM 74 CA ASP A 741 -3.881 -5.539 2.958 1.00 34.10 C ATOM 75 C ASP A 741 -3.785 -6.943 2.367 1.00 2.44 C ATOM 76 O ASP A 741 -4.462 -7.867 2.822 1.00 45.43 O ATOM 77 CB ASP A 741 -4.531 -4.591 1.949 1.00 62.21 C ATOM 78 CG ASP A 741 -5.634 -3.755 2.567 1.00 62.43 C ATOM 79 OD1 ASP A 741 -5.383 -3.122 3.614 1.00 33.24 O ATOM 80 OD2 ASP A 741 -6.747 -3.733 2.003 1.00 55.30 O1- ATOM 0 H ASP A 741 -2.228 -4.262 2.780 1.00 23.42 H new ATOM 0 HA ASP A 741 -4.500 -5.583 3.854 1.00 34.10 H new ATOM 0 HB2 ASP A 741 -3.770 -3.932 1.532 1.00 62.21 H new ATOM 0 HB3 ASP A 741 -4.939 -5.171 1.121 1.00 62.21 H new ATOM 85 N LEU A 742 -2.942 -7.095 1.352 1.00 3.03 N ATOM 86 CA LEU A 742 -2.757 -8.386 0.698 1.00 1.24 C ATOM 87 C LEU A 742 -2.557 -9.494 1.727 1.00 43.50 C ATOM 88 O LEU A 742 -3.141 -10.572 1.614 1.00 44.45 O ATOM 89 CB LEU A 742 -1.559 -8.333 -0.251 1.00 51.52 C ATOM 90 CG LEU A 742 -1.860 -7.910 -1.689 1.00 62.50 C ATOM 91 CD1 LEU A 742 -2.774 -8.923 -2.361 1.00 54.35 C ATOM 92 CD2 LEU A 742 -2.484 -6.524 -1.719 1.00 10.32 C ATOM 0 H LEU A 742 -2.376 -6.341 0.964 1.00 3.03 H new ATOM 0 HA LEU A 742 -3.657 -8.607 0.124 1.00 1.24 H new ATOM 0 HB2 LEU A 742 -0.823 -7.643 0.163 1.00 51.52 H new ATOM 0 HB3 LEU A 742 -1.095 -9.319 -0.273 1.00 51.52 H new ATOM 0 HG LEU A 742 -0.921 -7.874 -2.241 1.00 62.50 H new ATOM 0 HD11 LEU A 742 -2.978 -8.607 -3.384 1.00 54.35 H new ATOM 0 HD12 LEU A 742 -2.289 -9.899 -2.373 1.00 54.35 H new ATOM 0 HD13 LEU A 742 -3.711 -8.991 -1.808 1.00 54.35 H new ATOM 0 HD21 LEU A 742 -2.691 -6.240 -2.751 1.00 10.32 H new ATOM 0 HD22 LEU A 742 -3.414 -6.531 -1.151 1.00 10.32 H new ATOM 0 HD23 LEU A 742 -1.795 -5.805 -1.276 1.00 10.32 H new ATOM 104 N GLN A 743 -1.730 -9.220 2.731 1.00 5.10 N ATOM 105 CA GLN A 743 -1.454 -10.194 3.780 1.00 43.30 C ATOM 106 C GLN A 743 -2.519 -10.135 4.871 1.00 4.30 C ATOM 107 O GLN A 743 -2.716 -11.098 5.612 1.00 43.24 O ATOM 108 CB GLN A 743 -0.072 -9.945 4.386 1.00 24.43 C ATOM 109 CG GLN A 743 0.514 -11.161 5.085 1.00 63.02 C ATOM 110 CD GLN A 743 1.665 -11.779 4.315 1.00 52.41 C ATOM 111 OE1 GLN A 743 1.634 -11.857 3.087 1.00 44.12 O ATOM 112 NE2 GLN A 743 2.689 -12.221 5.035 1.00 23.41 N ATOM 0 H GLN A 743 -1.240 -8.332 2.840 1.00 5.10 H new ATOM 0 HA GLN A 743 -1.473 -11.188 3.332 1.00 43.30 H new ATOM 0 HB2 GLN A 743 0.609 -9.626 3.597 1.00 24.43 H new ATOM 0 HB3 GLN A 743 -0.140 -9.124 5.100 1.00 24.43 H new ATOM 0 HG2 GLN A 743 0.859 -10.873 6.078 1.00 63.02 H new ATOM 0 HG3 GLN A 743 -0.268 -11.908 5.223 1.00 63.02 H new ATOM 0 HE21 GLN A 743 2.672 -12.136 6.051 1.00 23.41 H new ATOM 0 HE22 GLN A 743 3.492 -12.646 4.572 1.00 23.41 H new ATOM 121 N GLN A 744 -3.201 -8.998 4.964 1.00 42.33 N ATOM 122 CA GLN A 744 -4.245 -8.813 5.966 1.00 24.21 C ATOM 123 C GLN A 744 -5.365 -9.830 5.778 1.00 72.25 C ATOM 124 O GLN A 744 -6.093 -10.149 6.718 1.00 23.12 O ATOM 125 CB GLN A 744 -4.810 -7.394 5.889 1.00 43.32 C ATOM 126 CG GLN A 744 -6.119 -7.219 6.642 1.00 45.32 C ATOM 127 CD GLN A 744 -6.549 -5.769 6.733 1.00 12.51 C ATOM 128 OE1 GLN A 744 -7.304 -5.279 5.892 1.00 31.02 O ATOM 129 NE2 GLN A 744 -6.071 -5.072 7.757 1.00 12.45 N ATOM 0 H GLN A 744 -3.050 -8.191 4.358 1.00 42.33 H new ATOM 0 HA GLN A 744 -3.801 -8.966 6.950 1.00 24.21 H new ATOM 0 HB2 GLN A 744 -4.074 -6.697 6.289 1.00 43.32 H new ATOM 0 HB3 GLN A 744 -4.964 -7.129 4.843 1.00 43.32 H new ATOM 0 HG2 GLN A 744 -6.900 -7.795 6.145 1.00 45.32 H new ATOM 0 HG3 GLN A 744 -6.013 -7.627 7.647 1.00 45.32 H new ATOM 0 HE21 GLN A 744 -5.448 -5.518 8.431 1.00 12.45 H new ATOM 0 HE22 GLN A 744 -6.327 -4.091 7.870 1.00 12.45 H new ATOM 138 N LYS A 745 -5.498 -10.337 4.557 1.00 51.12 N ATOM 139 CA LYS A 745 -6.530 -11.319 4.244 1.00 30.31 C ATOM 140 C LYS A 745 -6.057 -12.730 4.578 1.00 32.55 C ATOM 141 O LYS A 745 -6.705 -13.449 5.340 1.00 70.24 O ATOM 142 CB LYS A 745 -6.911 -11.235 2.765 1.00 60.22 C ATOM 143 CG LYS A 745 -6.693 -9.861 2.157 1.00 10.32 C ATOM 144 CD LYS A 745 -7.350 -9.743 0.792 1.00 22.22 C ATOM 145 CE LYS A 745 -8.866 -9.815 0.894 1.00 25.43 C ATOM 146 NZ LYS A 745 -9.531 -8.861 -0.035 1.00 61.41 N1+ ATOM 0 H LYS A 745 -4.904 -10.084 3.768 1.00 51.12 H new ATOM 0 HA LYS A 745 -7.406 -11.094 4.852 1.00 30.31 H new ATOM 0 HB2 LYS A 745 -6.328 -11.967 2.206 1.00 60.22 H new ATOM 0 HB3 LYS A 745 -7.960 -11.510 2.653 1.00 60.22 H new ATOM 0 HG2 LYS A 745 -7.098 -9.099 2.823 1.00 10.32 H new ATOM 0 HG3 LYS A 745 -5.624 -9.669 2.065 1.00 10.32 H new ATOM 0 HD2 LYS A 745 -7.060 -8.800 0.328 1.00 22.22 H new ATOM 0 HD3 LYS A 745 -6.990 -10.542 0.144 1.00 22.22 H new ATOM 0 HE2 LYS A 745 -9.197 -10.829 0.671 1.00 25.43 H new ATOM 0 HE3 LYS A 745 -9.172 -9.598 1.917 1.00 25.43 H new ATOM 0 HZ1 LYS A 745 -10.563 -8.941 0.065 1.00 61.41 H new ATOM 0 HZ2 LYS A 745 -9.235 -7.891 0.194 1.00 61.41 H new ATOM 0 HZ3 LYS A 745 -9.260 -9.084 -1.014 1.00 61.41 H new ATOM 160 N PHE A 746 -4.922 -13.120 4.007 1.00 31.31 N ATOM 161 CA PHE A 746 -4.362 -14.446 4.244 1.00 11.44 C ATOM 162 C PHE A 746 -4.029 -14.637 5.721 1.00 65.31 C ATOM 163 O PHE A 746 -4.068 -15.755 6.238 1.00 55.31 O ATOM 164 CB PHE A 746 -3.107 -14.653 3.395 1.00 52.32 C ATOM 165 CG PHE A 746 -2.487 -16.011 3.562 1.00 43.30 C ATOM 166 CD1 PHE A 746 -1.276 -16.157 4.218 1.00 64.12 C ATOM 167 CD2 PHE A 746 -3.116 -17.139 3.063 1.00 65.22 C ATOM 168 CE1 PHE A 746 -0.702 -17.405 4.374 1.00 73.34 C ATOM 169 CE2 PHE A 746 -2.547 -18.390 3.216 1.00 31.41 C ATOM 170 CZ PHE A 746 -1.338 -18.523 3.871 1.00 54.03 C ATOM 0 H PHE A 746 -4.372 -12.537 3.377 1.00 31.31 H new ATOM 0 HA PHE A 746 -5.110 -15.186 3.958 1.00 11.44 H new ATOM 0 HB2 PHE A 746 -3.360 -14.505 2.345 1.00 52.32 H new ATOM 0 HB3 PHE A 746 -2.372 -13.892 3.656 1.00 52.32 H new ATOM 0 HD1 PHE A 746 -0.774 -15.286 4.612 1.00 64.12 H new ATOM 0 HD2 PHE A 746 -4.061 -17.041 2.549 1.00 65.22 H new ATOM 0 HE1 PHE A 746 0.242 -17.506 4.888 1.00 73.34 H new ATOM 0 HE2 PHE A 746 -3.048 -19.263 2.824 1.00 31.41 H new ATOM 0 HZ PHE A 746 -0.891 -19.499 3.989 1.00 54.03 H new ATOM 180 N TYR A 747 -3.698 -13.541 6.394 1.00 43.10 N ATOM 181 CA TYR A 747 -3.353 -13.588 7.810 1.00 14.32 C ATOM 182 C TYR A 747 -4.566 -13.970 8.653 1.00 24.30 C ATOM 183 O TYR A 747 -4.441 -14.261 9.843 1.00 60.31 O ATOM 184 CB TYR A 747 -2.806 -12.235 8.268 1.00 14.31 C ATOM 185 CG TYR A 747 -2.345 -12.224 9.709 1.00 43.05 C ATOM 186 CD1 TYR A 747 -1.535 -13.237 10.205 1.00 4.23 C ATOM 187 CD2 TYR A 747 -2.721 -11.202 10.572 1.00 44.12 C ATOM 188 CE1 TYR A 747 -1.111 -13.232 11.521 1.00 4.41 C ATOM 189 CE2 TYR A 747 -2.302 -11.189 11.888 1.00 44.15 C ATOM 190 CZ TYR A 747 -1.497 -12.205 12.357 1.00 2.13 C ATOM 191 OH TYR A 747 -1.078 -12.196 13.668 1.00 12.22 O ATOM 0 H TYR A 747 -3.661 -12.609 5.982 1.00 43.10 H new ATOM 0 HA TYR A 747 -2.584 -14.348 7.946 1.00 14.32 H new ATOM 0 HB2 TYR A 747 -1.971 -11.954 7.626 1.00 14.31 H new ATOM 0 HB3 TYR A 747 -3.578 -11.477 8.137 1.00 14.31 H new ATOM 0 HD1 TYR A 747 -1.231 -14.042 9.552 1.00 4.23 H new ATOM 0 HD2 TYR A 747 -3.351 -10.404 10.208 1.00 44.12 H new ATOM 0 HE1 TYR A 747 -0.481 -14.027 11.892 1.00 4.41 H new ATOM 0 HE2 TYR A 747 -2.603 -10.387 12.546 1.00 44.15 H new ATOM 0 HH TYR A 747 -1.436 -11.404 14.121 1.00 12.22 H new ATOM 201 N GLU A 748 -5.739 -13.968 8.027 1.00 25.10 N ATOM 202 CA GLU A 748 -6.975 -14.315 8.720 1.00 43.34 C ATOM 203 C GLU A 748 -7.213 -15.822 8.686 1.00 23.00 C ATOM 204 O GLU A 748 -7.876 -16.375 9.563 1.00 20.22 O ATOM 205 CB GLU A 748 -8.161 -13.585 8.088 1.00 51.02 C ATOM 206 CG GLU A 748 -7.884 -12.123 7.781 1.00 2.30 C ATOM 207 CD GLU A 748 -8.955 -11.199 8.328 1.00 41.23 C ATOM 208 OE1 GLU A 748 -8.614 -10.311 9.137 1.00 52.24 O ATOM 209 OE2 GLU A 748 -10.133 -11.364 7.946 1.00 30.32 O1- ATOM 0 H GLU A 748 -5.859 -13.730 7.042 1.00 25.10 H new ATOM 0 HA GLU A 748 -6.879 -14.004 9.760 1.00 43.34 H new ATOM 0 HB2 GLU A 748 -8.440 -14.094 7.166 1.00 51.02 H new ATOM 0 HB3 GLU A 748 -9.017 -13.650 8.760 1.00 51.02 H new ATOM 0 HG2 GLU A 748 -6.918 -11.844 8.203 1.00 2.30 H new ATOM 0 HG3 GLU A 748 -7.811 -11.990 6.702 1.00 2.30 H new ATOM 216 N ILE A 749 -6.668 -16.478 7.667 1.00 20.21 N ATOM 217 CA ILE A 749 -6.821 -17.920 7.519 1.00 64.33 C ATOM 218 C ILE A 749 -5.805 -18.671 8.373 1.00 2.53 C ATOM 219 O ILE A 749 -5.783 -19.902 8.390 1.00 40.31 O ATOM 220 CB ILE A 749 -6.659 -18.355 6.050 1.00 33.22 C ATOM 221 CG1 ILE A 749 -7.423 -17.402 5.126 1.00 4.24 C ATOM 222 CG2 ILE A 749 -7.146 -19.784 5.865 1.00 55.32 C ATOM 223 CD1 ILE A 749 -7.313 -17.764 3.662 1.00 14.02 C ATOM 0 H ILE A 749 -6.117 -16.034 6.932 1.00 20.21 H new ATOM 0 HA ILE A 749 -7.828 -18.167 7.855 1.00 64.33 H new ATOM 0 HB ILE A 749 -5.602 -18.315 5.788 1.00 33.22 H new ATOM 0 HG12 ILE A 749 -8.475 -17.396 5.413 1.00 4.24 H new ATOM 0 HG13 ILE A 749 -7.047 -16.389 5.271 1.00 4.24 H new ATOM 0 HG21 ILE A 749 -7.025 -20.077 4.822 1.00 55.32 H new ATOM 0 HG22 ILE A 749 -6.564 -20.452 6.500 1.00 55.32 H new ATOM 0 HG23 ILE A 749 -8.199 -19.848 6.140 1.00 55.32 H new ATOM 0 HD11 ILE A 749 -7.878 -17.047 3.066 1.00 14.02 H new ATOM 0 HD12 ILE A 749 -6.266 -17.742 3.359 1.00 14.02 H new ATOM 0 HD13 ILE A 749 -7.716 -18.764 3.503 1.00 14.02 H new ATOM 235 N ILE A 750 -4.968 -17.922 9.083 1.00 42.24 N ATOM 236 CA ILE A 750 -3.952 -18.517 9.943 1.00 54.44 C ATOM 237 C ILE A 750 -4.439 -18.613 11.384 1.00 14.03 C ATOM 238 O ILE A 750 -4.052 -19.519 12.123 1.00 54.44 O ATOM 239 CB ILE A 750 -2.641 -17.708 9.908 1.00 74.32 C ATOM 240 CG1 ILE A 750 -2.271 -17.357 8.466 1.00 73.30 C ATOM 241 CG2 ILE A 750 -1.519 -18.491 10.573 1.00 74.52 C ATOM 242 CD1 ILE A 750 -2.132 -18.565 7.566 1.00 73.14 C ATOM 0 H ILE A 750 -4.973 -16.902 9.080 1.00 42.24 H new ATOM 0 HA ILE A 750 -3.761 -19.519 9.559 1.00 54.44 H new ATOM 0 HB ILE A 750 -2.788 -16.780 10.461 1.00 74.32 H new ATOM 0 HG12 ILE A 750 -3.032 -16.694 8.055 1.00 73.30 H new ATOM 0 HG13 ILE A 750 -1.332 -16.803 8.465 1.00 73.30 H new ATOM 0 HG21 ILE A 750 -0.599 -17.907 10.541 1.00 74.52 H new ATOM 0 HG22 ILE A 750 -1.783 -18.695 11.611 1.00 74.52 H new ATOM 0 HG23 ILE A 750 -1.370 -19.433 10.045 1.00 74.52 H new ATOM 0 HD11 ILE A 750 -1.869 -18.240 6.559 1.00 73.14 H new ATOM 0 HD12 ILE A 750 -1.350 -19.219 7.953 1.00 73.14 H new ATOM 0 HD13 ILE A 750 -3.077 -19.107 7.537 1.00 73.14 H new ATOM 254 N LEU A 751 -5.293 -17.673 11.778 1.00 21.03 N ATOM 255 CA LEU A 751 -5.836 -17.652 13.131 1.00 20.34 C ATOM 256 C LEU A 751 -7.078 -18.531 13.233 1.00 13.31 C ATOM 257 O LEU A 751 -7.440 -18.989 14.317 1.00 25.03 O ATOM 258 CB LEU A 751 -6.176 -16.218 13.544 1.00 25.51 C ATOM 259 CG LEU A 751 -5.056 -15.436 14.230 1.00 13.34 C ATOM 260 CD1 LEU A 751 -3.910 -15.184 13.264 1.00 1.35 C ATOM 261 CD2 LEU A 751 -5.588 -14.121 14.784 1.00 23.54 C ATOM 0 H LEU A 751 -5.623 -16.916 11.179 1.00 21.03 H new ATOM 0 HA LEU A 751 -5.077 -18.047 13.806 1.00 20.34 H new ATOM 0 HB2 LEU A 751 -6.484 -15.668 12.655 1.00 25.51 H new ATOM 0 HB3 LEU A 751 -7.035 -16.248 14.214 1.00 25.51 H new ATOM 0 HG LEU A 751 -4.678 -16.033 15.060 1.00 13.34 H new ATOM 0 HD11 LEU A 751 -3.123 -14.626 13.771 1.00 1.35 H new ATOM 0 HD12 LEU A 751 -3.512 -16.137 12.915 1.00 1.35 H new ATOM 0 HD13 LEU A 751 -4.272 -14.608 12.412 1.00 1.35 H new ATOM 0 HD21 LEU A 751 -4.778 -13.576 15.269 1.00 23.54 H new ATOM 0 HD22 LEU A 751 -5.992 -13.520 13.969 1.00 23.54 H new ATOM 0 HD23 LEU A 751 -6.375 -14.324 15.510 1.00 23.54 H new ATOM 273 N ASP A 752 -7.727 -18.762 12.097 1.00 33.22 N ATOM 274 CA ASP A 752 -8.929 -19.589 12.058 1.00 5.11 C ATOM 275 C ASP A 752 -8.568 -21.064 11.915 1.00 63.10 C ATOM 276 O ASP A 752 -9.323 -21.941 12.336 1.00 22.20 O ATOM 277 CB ASP A 752 -9.832 -19.158 10.902 1.00 51.05 C ATOM 278 CG ASP A 752 -11.145 -18.571 11.382 1.00 54.04 C ATOM 279 OD1 ASP A 752 -11.121 -17.482 11.992 1.00 2.03 O ATOM 280 OD2 ASP A 752 -12.198 -19.201 11.146 1.00 65.42 O1- ATOM 0 H ASP A 752 -7.442 -18.389 11.192 1.00 33.22 H new ATOM 0 HA ASP A 752 -9.465 -19.454 12.997 1.00 5.11 H new ATOM 0 HB2 ASP A 752 -9.310 -18.422 10.292 1.00 51.05 H new ATOM 0 HB3 ASP A 752 -10.034 -20.017 10.262 1.00 51.05 H new ATOM 285 N ILE A 753 -7.411 -21.331 11.318 1.00 63.00 N ATOM 286 CA ILE A 753 -6.951 -22.699 11.120 1.00 75.21 C ATOM 287 C ILE A 753 -6.215 -23.216 12.351 1.00 5.14 C ATOM 288 O ILE A 753 -6.313 -24.392 12.696 1.00 25.44 O ATOM 289 CB ILE A 753 -6.023 -22.810 9.896 1.00 22.31 C ATOM 290 CG1 ILE A 753 -6.813 -22.575 8.606 1.00 25.23 C ATOM 291 CG2 ILE A 753 -5.345 -24.171 9.868 1.00 64.34 C ATOM 292 CD1 ILE A 753 -5.955 -22.597 7.361 1.00 41.22 C ATOM 0 H ILE A 753 -6.775 -20.617 10.963 1.00 63.00 H new ATOM 0 HA ILE A 753 -7.839 -23.308 10.949 1.00 75.21 H new ATOM 0 HB ILE A 753 -5.252 -22.043 9.972 1.00 22.31 H new ATOM 0 HG12 ILE A 753 -7.586 -23.338 8.518 1.00 25.23 H new ATOM 0 HG13 ILE A 753 -7.321 -21.613 8.671 1.00 25.23 H new ATOM 0 HG21 ILE A 753 -4.692 -24.235 8.997 1.00 64.34 H new ATOM 0 HG22 ILE A 753 -4.754 -24.302 10.775 1.00 64.34 H new ATOM 0 HG23 ILE A 753 -6.102 -24.953 9.812 1.00 64.34 H new ATOM 0 HD11 ILE A 753 -6.580 -22.424 6.485 1.00 41.22 H new ATOM 0 HD12 ILE A 753 -5.198 -21.815 7.427 1.00 41.22 H new ATOM 0 HD13 ILE A 753 -5.467 -23.568 7.272 1.00 41.22 H new ATOM 304 N GLU A 754 -5.478 -22.326 13.010 1.00 62.14 N ATOM 305 CA GLU A 754 -4.725 -22.693 14.204 1.00 54.34 C ATOM 306 C GLU A 754 -5.665 -23.114 15.331 1.00 65.25 C ATOM 307 O GLU A 754 -5.289 -23.895 16.204 1.00 34.11 O ATOM 308 CB GLU A 754 -3.854 -21.522 14.663 1.00 23.41 C ATOM 309 CG GLU A 754 -3.058 -21.814 15.924 1.00 34.11 C ATOM 310 CD GLU A 754 -1.629 -21.313 15.843 1.00 55.22 C ATOM 311 OE1 GLU A 754 -1.395 -20.134 16.181 1.00 0.35 O ATOM 312 OE2 GLU A 754 -0.747 -22.099 15.441 1.00 22.31 O1- ATOM 0 H GLU A 754 -5.387 -21.347 12.737 1.00 62.14 H new ATOM 0 HA GLU A 754 -4.084 -23.538 13.954 1.00 54.34 H new ATOM 0 HB2 GLU A 754 -3.165 -21.257 13.861 1.00 23.41 H new ATOM 0 HB3 GLU A 754 -4.489 -20.654 14.837 1.00 23.41 H new ATOM 0 HG2 GLU A 754 -3.553 -21.350 16.777 1.00 34.11 H new ATOM 0 HG3 GLU A 754 -3.052 -22.889 16.104 1.00 34.11 H new ATOM 319 N GLN A 755 -6.886 -22.590 15.302 1.00 5.14 N ATOM 320 CA GLN A 755 -7.878 -22.910 16.322 1.00 23.22 C ATOM 321 C GLN A 755 -8.255 -24.387 16.270 1.00 45.11 C ATOM 322 O GLN A 755 -8.594 -24.987 17.289 1.00 65.40 O ATOM 323 CB GLN A 755 -9.126 -22.046 16.138 1.00 14.13 C ATOM 324 CG GLN A 755 -9.051 -20.707 16.853 1.00 43.02 C ATOM 325 CD GLN A 755 -10.006 -19.682 16.275 1.00 72.42 C ATOM 326 OE1 GLN A 755 -11.122 -20.014 15.872 1.00 12.23 O ATOM 327 NE2 GLN A 755 -9.574 -18.427 16.231 1.00 22.55 N ATOM 0 H GLN A 755 -7.212 -21.943 14.584 1.00 5.14 H new ATOM 0 HA GLN A 755 -7.440 -22.700 17.298 1.00 23.22 H new ATOM 0 HB2 GLN A 755 -9.283 -21.872 15.074 1.00 14.13 H new ATOM 0 HB3 GLN A 755 -9.994 -22.595 16.503 1.00 14.13 H new ATOM 0 HG2 GLN A 755 -9.275 -20.851 17.910 1.00 43.02 H new ATOM 0 HG3 GLN A 755 -8.032 -20.324 16.792 1.00 43.02 H new ATOM 0 HE21 GLN A 755 -8.642 -18.196 16.576 1.00 22.55 H new ATOM 0 HE22 GLN A 755 -10.174 -17.694 15.853 1.00 22.55 H new ATOM 336 N ASN A 756 -8.192 -24.966 15.076 1.00 71.22 N ATOM 337 CA ASN A 756 -8.528 -26.374 14.890 1.00 0.45 C ATOM 338 C ASN A 756 -7.684 -27.258 15.803 1.00 62.55 C ATOM 339 O ASN A 756 -8.088 -28.364 16.158 1.00 32.25 O ATOM 340 CB ASN A 756 -8.320 -26.781 13.430 1.00 31.31 C ATOM 341 CG ASN A 756 -8.854 -28.170 13.136 1.00 25.44 C ATOM 342 OD1 ASN A 756 -9.931 -28.325 12.562 1.00 55.20 O ATOM 343 ND2 ASN A 756 -8.099 -29.189 13.531 1.00 61.04 N ATOM 0 H ASN A 756 -7.912 -24.483 14.223 1.00 71.22 H new ATOM 0 HA ASN A 756 -9.578 -26.510 15.151 1.00 0.45 H new ATOM 0 HB2 ASN A 756 -8.815 -26.059 12.780 1.00 31.31 H new ATOM 0 HB3 ASN A 756 -7.257 -26.746 13.194 1.00 31.31 H new ATOM 0 HD21 ASN A 756 -8.406 -30.147 13.361 1.00 61.04 H new ATOM 0 HD22 ASN A 756 -7.212 -29.014 14.004 1.00 61.04 H new ATOM 350 N ASN A 757 -6.509 -26.763 16.176 1.00 61.41 N ATOM 351 CA ASN A 757 -5.607 -27.509 17.045 1.00 1.05 C ATOM 352 C ASN A 757 -5.906 -27.222 18.514 1.00 1.44 C ATOM 353 O ASN A 757 -5.723 -28.081 19.376 1.00 74.41 O ATOM 354 CB ASN A 757 -4.152 -27.154 16.732 1.00 2.24 C ATOM 355 CG ASN A 757 -3.176 -28.181 17.273 1.00 21.40 C ATOM 356 OD1 ASN A 757 -3.304 -29.376 17.005 1.00 20.32 O ATOM 357 ND2 ASN A 757 -2.194 -27.719 18.039 1.00 51.24 N ATOM 0 H ASN A 757 -6.159 -25.849 15.890 1.00 61.41 H new ATOM 0 HA ASN A 757 -5.763 -28.572 16.860 1.00 1.05 H new ATOM 0 HB2 ASN A 757 -4.026 -27.070 15.653 1.00 2.24 H new ATOM 0 HB3 ASN A 757 -3.920 -26.177 17.157 1.00 2.24 H new ATOM 0 HD21 ASN A 757 -1.507 -28.363 18.431 1.00 51.24 H new ATOM 0 HD22 ASN A 757 -2.127 -26.720 18.235 1.00 51.24 H new ATOM 364 N VAL A 758 -6.369 -26.007 18.792 1.00 41.15 N ATOM 365 CA VAL A 758 -6.696 -25.606 20.154 1.00 20.10 C ATOM 366 C VAL A 758 -7.892 -26.388 20.685 1.00 74.44 C ATOM 367 O VAL A 758 -8.045 -26.563 21.893 1.00 14.11 O ATOM 368 CB VAL A 758 -7.004 -24.100 20.239 1.00 44.15 C ATOM 369 CG1 VAL A 758 -7.344 -23.703 21.667 1.00 41.51 C ATOM 370 CG2 VAL A 758 -5.830 -23.286 19.715 1.00 24.23 C ATOM 0 H VAL A 758 -6.526 -25.283 18.091 1.00 41.15 H new ATOM 0 HA VAL A 758 -5.821 -25.825 20.766 1.00 20.10 H new ATOM 0 HB VAL A 758 -7.871 -23.889 19.613 1.00 44.15 H new ATOM 0 HG11 VAL A 758 -7.559 -22.635 21.706 1.00 41.51 H new ATOM 0 HG12 VAL A 758 -8.218 -24.261 22.002 1.00 41.51 H new ATOM 0 HG13 VAL A 758 -6.499 -23.928 22.318 1.00 41.51 H new ATOM 0 HG21 VAL A 758 -6.065 -22.224 19.782 1.00 24.23 H new ATOM 0 HG22 VAL A 758 -4.943 -23.500 20.312 1.00 24.23 H new ATOM 0 HG23 VAL A 758 -5.640 -23.550 18.675 1.00 24.23 H new ATOM 380 N GLN A 759 -8.738 -26.857 19.772 1.00 15.12 N ATOM 381 CA GLN A 759 -9.922 -27.621 20.149 1.00 12.54 C ATOM 382 C GLN A 759 -9.834 -29.051 19.631 1.00 62.41 C ATOM 383 O GLN A 759 -10.835 -29.634 19.214 1.00 63.24 O ATOM 384 CB GLN A 759 -11.183 -26.946 19.608 1.00 54.15 C ATOM 385 CG GLN A 759 -11.614 -25.727 20.410 1.00 75.44 C ATOM 386 CD GLN A 759 -12.722 -24.945 19.732 1.00 3.32 C ATOM 387 OE1 GLN A 759 -13.529 -25.505 18.989 1.00 31.23 O ATOM 388 NE2 GLN A 759 -12.767 -23.643 19.986 1.00 11.02 N ATOM 0 H GLN A 759 -8.625 -26.721 18.767 1.00 15.12 H new ATOM 0 HA GLN A 759 -9.973 -27.651 21.237 1.00 12.54 H new ATOM 0 HB2 GLN A 759 -11.010 -26.647 18.574 1.00 54.15 H new ATOM 0 HB3 GLN A 759 -11.997 -27.671 19.599 1.00 54.15 H new ATOM 0 HG2 GLN A 759 -11.951 -26.046 21.396 1.00 75.44 H new ATOM 0 HG3 GLN A 759 -10.754 -25.074 20.562 1.00 75.44 H new ATOM 0 HE21 GLN A 759 -12.078 -23.221 20.608 1.00 11.02 H new ATOM 0 HE22 GLN A 759 -13.491 -23.065 19.559 1.00 11.02 H new ATOM 397 N GLY A 760 -8.629 -29.614 19.659 1.00 53.21 N ATOM 398 CA GLY A 760 -8.433 -30.973 19.189 1.00 53.31 C ATOM 399 C GLY A 760 -7.282 -31.667 19.888 1.00 34.41 C ATOM 400 O GLY A 760 -6.750 -32.659 19.389 1.00 32.15 O ATOM 0 H GLY A 760 -7.785 -29.153 19.999 1.00 53.21 H new ATOM 0 HA2 GLY A 760 -9.348 -31.544 19.347 1.00 53.31 H new ATOM 0 HA3 GLY A 760 -8.247 -30.960 18.115 1.00 53.31 H new ATOM 404 N LYS A 761 -6.894 -31.145 21.047 1.00 32.42 N ATOM 405 CA LYS A 761 -5.798 -31.721 21.817 1.00 4.04 C ATOM 406 C LYS A 761 -6.190 -33.080 22.388 1.00 64.32 C ATOM 407 O LYS A 761 -5.361 -33.986 22.490 1.00 43.13 O ATOM 408 CB LYS A 761 -5.393 -30.778 22.952 1.00 53.31 C ATOM 409 CG LYS A 761 -4.730 -29.498 22.470 1.00 2.15 C ATOM 410 CD LYS A 761 -5.454 -28.267 22.988 1.00 42.34 C ATOM 411 CE LYS A 761 -4.607 -27.013 22.825 1.00 32.10 C ATOM 412 NZ LYS A 761 -3.410 -27.035 23.710 1.00 44.42 N1+ ATOM 0 H LYS A 761 -7.323 -30.324 21.474 1.00 32.42 H new ATOM 0 HA LYS A 761 -4.950 -31.858 21.147 1.00 4.04 H new ATOM 0 HB2 LYS A 761 -6.278 -30.522 23.534 1.00 53.31 H new ATOM 0 HB3 LYS A 761 -4.711 -31.301 23.622 1.00 53.31 H new ATOM 0 HG2 LYS A 761 -3.692 -29.477 22.802 1.00 2.15 H new ATOM 0 HG3 LYS A 761 -4.717 -29.482 21.380 1.00 2.15 H new ATOM 0 HD2 LYS A 761 -6.395 -28.144 22.452 1.00 42.34 H new ATOM 0 HD3 LYS A 761 -5.703 -28.405 24.040 1.00 42.34 H new ATOM 0 HE2 LYS A 761 -4.289 -26.921 21.786 1.00 32.10 H new ATOM 0 HE3 LYS A 761 -5.211 -26.134 23.052 1.00 32.10 H new ATOM 0 HZ1 LYS A 761 -3.052 -26.067 23.833 1.00 44.42 H new ATOM 0 HZ2 LYS A 761 -3.671 -27.428 24.637 1.00 44.42 H new ATOM 0 HZ3 LYS A 761 -2.670 -27.626 23.279 1.00 44.42 H new ATOM 426 N THR A 762 -7.459 -33.219 22.759 1.00 44.55 N ATOM 427 CA THR A 762 -7.961 -34.467 23.318 1.00 4.03 C ATOM 428 C THR A 762 -8.621 -35.325 22.246 1.00 42.03 C ATOM 429 O THR A 762 -9.518 -36.116 22.534 1.00 32.20 O ATOM 430 CB THR A 762 -8.973 -34.209 24.449 1.00 13.10 C ATOM 431 OG1 THR A 762 -8.563 -33.079 25.226 1.00 1.13 O ATOM 432 CG2 THR A 762 -9.103 -35.429 25.350 1.00 65.33 C ATOM 0 H THR A 762 -8.159 -32.481 22.682 1.00 44.55 H new ATOM 0 HA THR A 762 -7.101 -34.999 23.725 1.00 4.03 H new ATOM 0 HB THR A 762 -9.944 -34.006 23.997 1.00 13.10 H new ATOM 0 HG1 THR A 762 -9.213 -32.921 25.942 1.00 1.13 H new ATOM 0 HG21 THR A 762 -9.824 -35.222 26.141 1.00 65.33 H new ATOM 0 HG22 THR A 762 -9.445 -36.281 24.762 1.00 65.33 H new ATOM 0 HG23 THR A 762 -8.134 -35.659 25.793 1.00 65.33 H new ATOM 440 N GLY A 763 -8.172 -35.163 21.004 1.00 24.12 N ATOM 441 CA GLY A 763 -8.731 -35.930 19.907 1.00 54.13 C ATOM 442 C GLY A 763 -10.206 -35.652 19.698 1.00 12.53 C ATOM 443 O GLY A 763 -10.935 -36.493 19.171 1.00 20.11 O ATOM 0 H GLY A 763 -7.431 -34.514 20.739 1.00 24.12 H new ATOM 0 HA2 GLY A 763 -8.187 -35.698 18.991 1.00 54.13 H new ATOM 0 HA3 GLY A 763 -8.589 -36.993 20.101 1.00 54.13 H new ATOM 447 N ILE A 764 -10.648 -34.470 20.113 1.00 14.14 N ATOM 448 CA ILE A 764 -12.047 -34.084 19.969 1.00 42.24 C ATOM 449 C ILE A 764 -12.209 -32.981 18.927 1.00 25.14 C ATOM 450 O ILE A 764 -12.913 -31.999 19.156 1.00 62.24 O ATOM 451 CB ILE A 764 -12.639 -33.602 21.307 1.00 40.12 C ATOM 452 CG1 ILE A 764 -11.817 -32.438 21.863 1.00 3.13 C ATOM 453 CG2 ILE A 764 -12.689 -34.748 22.307 1.00 44.20 C ATOM 454 CD1 ILE A 764 -12.355 -31.886 23.164 1.00 41.50 C ATOM 0 H ILE A 764 -10.058 -33.763 20.552 1.00 14.14 H new ATOM 0 HA ILE A 764 -12.587 -34.972 19.641 1.00 42.24 H new ATOM 0 HB ILE A 764 -13.657 -33.253 21.133 1.00 40.12 H new ATOM 0 HG12 ILE A 764 -10.790 -32.769 22.015 1.00 3.13 H new ATOM 0 HG13 ILE A 764 -11.788 -31.638 21.123 1.00 3.13 H new ATOM 0 HG21 ILE A 764 -13.110 -34.392 23.248 1.00 44.20 H new ATOM 0 HG22 ILE A 764 -13.313 -35.550 21.911 1.00 44.20 H new ATOM 0 HG23 ILE A 764 -11.681 -35.124 22.480 1.00 44.20 H new ATOM 0 HD11 ILE A 764 -11.723 -31.064 23.499 1.00 41.50 H new ATOM 0 HD12 ILE A 764 -13.372 -31.524 23.013 1.00 41.50 H new ATOM 0 HD13 ILE A 764 -12.359 -32.672 23.919 1.00 41.50 H new ATOM 466 N GLN A 765 -11.551 -33.154 17.785 1.00 12.11 N ATOM 467 CA GLN A 765 -11.623 -32.173 16.709 1.00 52.02 C ATOM 468 C GLN A 765 -13.071 -31.917 16.301 1.00 0.21 C ATOM 469 O GLN A 765 -13.400 -30.848 15.786 1.00 31.53 O ATOM 470 CB GLN A 765 -10.818 -32.652 15.499 1.00 52.31 C ATOM 471 CG GLN A 765 -9.327 -32.769 15.769 1.00 11.14 C ATOM 472 CD GLN A 765 -8.646 -33.774 14.861 1.00 53.23 C ATOM 473 OE1 GLN A 765 -9.139 -34.080 13.774 1.00 4.43 O ATOM 474 NE2 GLN A 765 -7.507 -34.295 15.302 1.00 3.40 N ATOM 0 H GLN A 765 -10.963 -33.962 17.581 1.00 12.11 H new ATOM 0 HA GLN A 765 -11.197 -31.239 17.074 1.00 52.02 H new ATOM 0 HB2 GLN A 765 -11.199 -33.623 15.181 1.00 52.31 H new ATOM 0 HB3 GLN A 765 -10.976 -31.961 14.671 1.00 52.31 H new ATOM 0 HG2 GLN A 765 -8.860 -31.793 15.638 1.00 11.14 H new ATOM 0 HG3 GLN A 765 -9.172 -33.060 16.808 1.00 11.14 H new ATOM 0 HE21 GLN A 765 -7.135 -34.013 16.209 1.00 3.40 H new ATOM 0 HE22 GLN A 765 -7.005 -34.977 14.734 1.00 3.40 H new ATOM 483 N GLN A 766 -13.929 -32.903 16.535 1.00 33.52 N ATOM 484 CA GLN A 766 -15.342 -32.785 16.191 1.00 42.40 C ATOM 485 C GLN A 766 -15.982 -31.608 16.920 1.00 14.31 C ATOM 486 O GLN A 766 -17.027 -31.103 16.507 1.00 33.44 O ATOM 487 CB GLN A 766 -16.083 -34.078 16.535 1.00 20.33 C ATOM 488 CG GLN A 766 -17.196 -34.420 15.559 1.00 12.42 C ATOM 489 CD GLN A 766 -17.606 -35.877 15.627 1.00 73.20 C ATOM 490 OE1 GLN A 766 -16.765 -36.764 15.778 1.00 22.12 O ATOM 491 NE2 GLN A 766 -18.904 -36.134 15.516 1.00 52.41 N ATOM 0 H GLN A 766 -13.672 -33.793 16.961 1.00 33.52 H new ATOM 0 HA GLN A 766 -15.416 -32.608 15.118 1.00 42.40 H new ATOM 0 HB2 GLN A 766 -15.368 -34.901 16.561 1.00 20.33 H new ATOM 0 HB3 GLN A 766 -16.504 -33.990 17.537 1.00 20.33 H new ATOM 0 HG2 GLN A 766 -18.063 -33.793 15.768 1.00 12.42 H new ATOM 0 HG3 GLN A 766 -16.870 -34.185 14.546 1.00 12.42 H new ATOM 0 HE21 GLN A 766 -19.567 -35.369 15.392 1.00 52.41 H new ATOM 0 HE22 GLN A 766 -19.238 -37.097 15.555 1.00 52.41 H new ATOM 500 N LEU A 767 -15.350 -31.175 18.005 1.00 23.30 N ATOM 501 CA LEU A 767 -15.858 -30.057 18.792 1.00 45.13 C ATOM 502 C LEU A 767 -16.186 -28.867 17.897 1.00 12.40 C ATOM 503 O LEU A 767 -17.273 -28.295 17.983 1.00 25.13 O ATOM 504 CB LEU A 767 -14.833 -29.647 19.852 1.00 71.01 C ATOM 505 CG LEU A 767 -15.104 -28.324 20.569 1.00 30.05 C ATOM 506 CD1 LEU A 767 -16.503 -28.316 21.165 1.00 51.20 C ATOM 507 CD2 LEU A 767 -14.060 -28.081 21.650 1.00 12.33 C ATOM 0 H LEU A 767 -14.484 -31.581 18.360 1.00 23.30 H new ATOM 0 HA LEU A 767 -16.774 -30.379 19.287 1.00 45.13 H new ATOM 0 HB2 LEU A 767 -14.777 -30.438 20.600 1.00 71.01 H new ATOM 0 HB3 LEU A 767 -13.853 -29.587 19.378 1.00 71.01 H new ATOM 0 HG LEU A 767 -15.038 -27.517 19.839 1.00 30.05 H new ATOM 0 HD11 LEU A 767 -16.677 -27.367 21.671 1.00 51.20 H new ATOM 0 HD12 LEU A 767 -17.238 -28.444 20.370 1.00 51.20 H new ATOM 0 HD13 LEU A 767 -16.598 -29.132 21.882 1.00 51.20 H new ATOM 0 HD21 LEU A 767 -14.268 -27.135 22.150 1.00 12.33 H new ATOM 0 HD22 LEU A 767 -14.094 -28.892 22.378 1.00 12.33 H new ATOM 0 HD23 LEU A 767 -13.069 -28.042 21.197 1.00 12.33 H new ATOM 519 N GLN A 768 -15.240 -28.500 17.038 1.00 13.42 N ATOM 520 CA GLN A 768 -15.431 -27.377 16.127 1.00 24.11 C ATOM 521 C GLN A 768 -16.006 -27.849 14.795 1.00 4.24 C ATOM 522 O GLN A 768 -16.444 -27.042 13.976 1.00 30.10 O ATOM 523 CB GLN A 768 -14.104 -26.651 15.895 1.00 75.11 C ATOM 524 CG GLN A 768 -13.047 -27.514 15.226 1.00 70.35 C ATOM 525 CD GLN A 768 -12.116 -28.175 16.223 1.00 54.14 C ATOM 526 OE1 GLN A 768 -12.455 -28.332 17.396 1.00 43.24 O ATOM 527 NE2 GLN A 768 -10.935 -28.568 15.760 1.00 62.35 N ATOM 0 H GLN A 768 -14.335 -28.963 16.954 1.00 13.42 H new ATOM 0 HA GLN A 768 -16.140 -26.687 16.584 1.00 24.11 H new ATOM 0 HB2 GLN A 768 -14.284 -25.770 15.279 1.00 75.11 H new ATOM 0 HB3 GLN A 768 -13.720 -26.298 16.852 1.00 75.11 H new ATOM 0 HG2 GLN A 768 -13.536 -28.282 14.627 1.00 70.35 H new ATOM 0 HG3 GLN A 768 -12.463 -26.900 14.541 1.00 70.35 H new ATOM 0 HE21 GLN A 768 -10.696 -28.418 14.780 1.00 62.35 H new ATOM 0 HE22 GLN A 768 -10.267 -29.020 16.384 1.00 62.35 H new ATOM 536 N LYS A 769 -16.001 -29.161 14.586 1.00 4.54 N ATOM 537 CA LYS A 769 -16.523 -29.741 13.355 1.00 22.54 C ATOM 538 C LYS A 769 -18.029 -29.958 13.451 1.00 71.31 C ATOM 539 O LYS A 769 -18.692 -30.229 12.450 1.00 14.30 O ATOM 540 CB LYS A 769 -15.824 -31.070 13.058 1.00 64.43 C ATOM 541 CG LYS A 769 -15.586 -31.314 11.577 1.00 60.02 C ATOM 542 CD LYS A 769 -14.323 -30.621 11.093 1.00 14.32 C ATOM 543 CE LYS A 769 -14.254 -30.586 9.575 1.00 70.43 C ATOM 544 NZ LYS A 769 -13.752 -31.872 9.013 1.00 10.43 N1+ ATOM 0 H LYS A 769 -15.641 -29.843 15.254 1.00 4.54 H new ATOM 0 HA LYS A 769 -16.326 -29.043 12.542 1.00 22.54 H new ATOM 0 HB2 LYS A 769 -14.867 -31.092 13.580 1.00 64.43 H new ATOM 0 HB3 LYS A 769 -16.426 -31.885 13.460 1.00 64.43 H new ATOM 0 HG2 LYS A 769 -15.508 -32.385 11.392 1.00 60.02 H new ATOM 0 HG3 LYS A 769 -16.442 -30.953 11.006 1.00 60.02 H new ATOM 0 HD2 LYS A 769 -14.293 -29.604 11.483 1.00 14.32 H new ATOM 0 HD3 LYS A 769 -13.449 -31.140 11.486 1.00 14.32 H new ATOM 0 HE2 LYS A 769 -15.244 -30.375 9.171 1.00 70.43 H new ATOM 0 HE3 LYS A 769 -13.601 -29.772 9.260 1.00 70.43 H new ATOM 0 HZ1 LYS A 769 -13.719 -31.808 7.975 1.00 10.43 H new ATOM 0 HZ2 LYS A 769 -12.797 -32.061 9.378 1.00 10.43 H new ATOM 0 HZ3 LYS A 769 -14.389 -32.645 9.292 1.00 10.43 H new ATOM 558 N TRP A 770 -18.564 -29.836 14.661 1.00 51.10 N ATOM 559 CA TRP A 770 -19.993 -30.017 14.887 1.00 62.32 C ATOM 560 C TRP A 770 -20.808 -29.308 13.811 1.00 52.11 C ATOM 561 O TRP A 770 -20.988 -29.830 12.711 1.00 32.12 O ATOM 562 CB TRP A 770 -20.383 -29.491 16.269 1.00 0.44 C ATOM 563 CG TRP A 770 -19.776 -28.159 16.591 1.00 41.03 C ATOM 564 CD1 TRP A 770 -18.995 -27.395 15.771 1.00 21.01 C ATOM 565 CD2 TRP A 770 -19.898 -27.435 17.820 1.00 51.14 C ATOM 566 NE1 TRP A 770 -18.625 -26.240 16.417 1.00 44.42 N ATOM 567 CE2 TRP A 770 -19.166 -26.241 17.675 1.00 55.31 C ATOM 568 CE3 TRP A 770 -20.556 -27.679 19.028 1.00 21.45 C ATOM 569 CZ2 TRP A 770 -19.074 -25.295 18.693 1.00 73.34 C ATOM 570 CZ3 TRP A 770 -20.464 -26.740 20.038 1.00 24.14 C ATOM 571 CH2 TRP A 770 -19.729 -25.560 19.866 1.00 50.21 C ATOM 0 H TRP A 770 -18.029 -29.612 15.500 1.00 51.10 H new ATOM 0 HA TRP A 770 -20.211 -31.084 14.838 1.00 62.32 H new ATOM 0 HB2 TRP A 770 -21.469 -29.411 16.326 1.00 0.44 H new ATOM 0 HB3 TRP A 770 -20.076 -30.214 17.025 1.00 0.44 H new ATOM 0 HD1 TRP A 770 -18.710 -27.660 14.763 1.00 21.01 H new ATOM 0 HE1 TRP A 770 -18.042 -25.502 16.023 1.00 44.42 H new ATOM 0 HE3 TRP A 770 -21.126 -28.585 19.170 1.00 21.45 H new ATOM 0 HZ2 TRP A 770 -18.507 -24.385 18.562 1.00 73.34 H new ATOM 0 HZ3 TRP A 770 -20.968 -26.919 20.976 1.00 24.14 H new ATOM 0 HH2 TRP A 770 -19.678 -24.845 20.674 1.00 50.21 H new ATOM 582 N GLU A 771 -21.298 -28.116 14.136 1.00 54.53 N ATOM 583 CA GLU A 771 -22.096 -27.336 13.196 1.00 64.40 C ATOM 584 C GLU A 771 -21.338 -27.120 11.889 1.00 42.33 C ATOM 585 O GLU A 771 -21.921 -26.724 10.879 1.00 64.24 O ATOM 586 CB GLU A 771 -22.472 -25.985 13.809 1.00 22.21 C ATOM 587 CG GLU A 771 -21.316 -25.002 13.870 1.00 40.54 C ATOM 588 CD GLU A 771 -21.568 -23.866 14.844 1.00 61.24 C ATOM 589 OE1 GLU A 771 -20.730 -23.665 15.748 1.00 53.05 O ATOM 590 OE2 GLU A 771 -22.601 -23.180 14.701 1.00 61.13 O1- ATOM 0 H GLU A 771 -21.157 -27.669 15.042 1.00 54.53 H new ATOM 0 HA GLU A 771 -23.007 -27.895 12.981 1.00 64.40 H new ATOM 0 HB2 GLU A 771 -23.282 -25.545 13.228 1.00 22.21 H new ATOM 0 HB3 GLU A 771 -22.854 -26.147 14.817 1.00 22.21 H new ATOM 0 HG2 GLU A 771 -20.409 -25.531 14.161 1.00 40.54 H new ATOM 0 HG3 GLU A 771 -21.140 -24.591 12.876 1.00 40.54 H new ATOM 597 N ASP A 772 -20.035 -27.381 11.917 1.00 32.20 N ATOM 598 CA ASP A 772 -19.196 -27.216 10.736 1.00 73.45 C ATOM 599 C ASP A 772 -19.815 -27.915 9.528 1.00 20.11 C ATOM 600 O ASP A 772 -19.632 -27.486 8.389 1.00 22.22 O ATOM 601 CB ASP A 772 -17.795 -27.768 10.998 1.00 24.14 C ATOM 602 CG ASP A 772 -16.753 -27.167 10.075 1.00 73.15 C ATOM 603 OD1 ASP A 772 -16.027 -27.940 9.415 1.00 30.12 O ATOM 604 OD2 ASP A 772 -16.666 -25.923 10.010 1.00 55.10 O1- ATOM 0 H ASP A 772 -19.537 -27.708 12.745 1.00 32.20 H new ATOM 0 HA ASP A 772 -19.123 -26.150 10.519 1.00 73.45 H new ATOM 0 HB2 ASP A 772 -17.517 -27.569 12.033 1.00 24.14 H new ATOM 0 HB3 ASP A 772 -17.805 -28.851 10.873 1.00 24.14 H new ATOM 609 N TRP A 773 -20.545 -28.994 9.786 1.00 4.13 N ATOM 610 CA TRP A 773 -21.189 -29.754 8.720 1.00 0.24 C ATOM 611 C TRP A 773 -22.016 -28.840 7.824 1.00 40.31 C ATOM 612 O TRP A 773 -22.193 -29.113 6.636 1.00 14.43 O ATOM 613 CB TRP A 773 -22.078 -30.850 9.312 1.00 44.40 C ATOM 614 CG TRP A 773 -21.340 -31.787 10.219 1.00 61.20 C ATOM 615 CD1 TRP A 773 -20.092 -32.306 10.023 1.00 74.22 C ATOM 616 CD2 TRP A 773 -21.807 -32.319 11.464 1.00 42.11 C ATOM 617 NE1 TRP A 773 -19.755 -33.128 11.071 1.00 71.33 N ATOM 618 CE2 TRP A 773 -20.788 -33.152 11.968 1.00 33.41 C ATOM 619 CE3 TRP A 773 -22.983 -32.170 12.203 1.00 1.32 C ATOM 620 CZ2 TRP A 773 -20.915 -33.833 13.176 1.00 74.24 C ATOM 621 CZ3 TRP A 773 -23.107 -32.847 13.401 1.00 25.10 C ATOM 622 CH2 TRP A 773 -22.078 -33.670 13.879 1.00 52.14 C ATOM 0 H TRP A 773 -20.706 -29.363 10.723 1.00 4.13 H new ATOM 0 HA TRP A 773 -20.409 -30.216 8.115 1.00 0.24 H new ATOM 0 HB2 TRP A 773 -22.894 -30.386 9.866 1.00 44.40 H new ATOM 0 HB3 TRP A 773 -22.528 -31.421 8.500 1.00 44.40 H new ATOM 0 HD1 TRP A 773 -19.463 -32.100 9.170 1.00 74.22 H new ATOM 0 HE1 TRP A 773 -18.877 -33.638 11.165 1.00 71.33 H new ATOM 0 HE3 TRP A 773 -23.781 -31.537 11.844 1.00 1.32 H new ATOM 0 HZ2 TRP A 773 -20.123 -34.468 13.545 1.00 74.24 H new ATOM 0 HZ3 TRP A 773 -24.013 -32.740 13.979 1.00 25.10 H new ATOM 0 HH2 TRP A 773 -22.205 -34.185 14.820 1.00 52.14 H new ATOM 633 N VAL A 774 -22.521 -27.753 8.399 1.00 62.02 N ATOM 634 CA VAL A 774 -23.329 -26.796 7.650 1.00 23.43 C ATOM 635 C VAL A 774 -22.578 -26.280 6.429 1.00 51.53 C ATOM 636 O VAL A 774 -23.186 -25.837 5.454 1.00 20.34 O ATOM 637 CB VAL A 774 -23.742 -25.602 8.530 1.00 3.11 C ATOM 638 CG1 VAL A 774 -22.533 -24.741 8.864 1.00 63.31 C ATOM 639 CG2 VAL A 774 -24.818 -24.779 7.837 1.00 10.44 C ATOM 0 H VAL A 774 -22.385 -27.513 9.381 1.00 62.02 H new ATOM 0 HA VAL A 774 -24.225 -27.324 7.324 1.00 23.43 H new ATOM 0 HB VAL A 774 -24.153 -25.985 9.464 1.00 3.11 H new ATOM 0 HG11 VAL A 774 -22.844 -23.902 9.486 1.00 63.31 H new ATOM 0 HG12 VAL A 774 -21.798 -25.339 9.402 1.00 63.31 H new ATOM 0 HG13 VAL A 774 -22.089 -24.364 7.943 1.00 63.31 H new ATOM 0 HG21 VAL A 774 -25.099 -23.939 8.472 1.00 10.44 H new ATOM 0 HG22 VAL A 774 -24.435 -24.404 6.888 1.00 10.44 H new ATOM 0 HG23 VAL A 774 -25.692 -25.404 7.654 1.00 10.44 H new ATOM 649 N ARG A 775 -21.251 -26.339 6.488 1.00 1.43 N ATOM 650 CA ARG A 775 -20.416 -25.876 5.387 1.00 42.23 C ATOM 651 C ARG A 775 -20.803 -26.569 4.082 1.00 4.25 C ATOM 652 O ARG A 775 -20.583 -26.034 2.996 1.00 4.21 O ATOM 653 CB ARG A 775 -18.940 -26.133 5.695 1.00 71.21 C ATOM 654 CG ARG A 775 -17.999 -25.686 4.587 1.00 34.33 C ATOM 655 CD ARG A 775 -16.546 -25.772 5.022 1.00 24.13 C ATOM 656 NE ARG A 775 -15.701 -26.378 3.996 1.00 73.34 N ATOM 657 CZ ARG A 775 -15.756 -27.664 3.664 1.00 41.10 C ATOM 658 NH1 ARG A 775 -16.609 -28.474 4.275 1.00 12.43 N ATOM 659 NH2 ARG A 775 -14.955 -28.141 2.720 1.00 42.01 N1+ ATOM 0 H ARG A 775 -20.732 -26.703 7.287 1.00 1.43 H new ATOM 0 HA ARG A 775 -20.574 -24.804 5.270 1.00 42.23 H new ATOM 0 HB2 ARG A 775 -18.674 -25.615 6.617 1.00 71.21 H new ATOM 0 HB3 ARG A 775 -18.795 -27.198 5.875 1.00 71.21 H new ATOM 0 HG2 ARG A 775 -18.153 -26.307 3.705 1.00 34.33 H new ATOM 0 HG3 ARG A 775 -18.234 -24.661 4.300 1.00 34.33 H new ATOM 0 HD2 ARG A 775 -16.177 -24.772 5.251 1.00 24.13 H new ATOM 0 HD3 ARG A 775 -16.477 -26.356 5.940 1.00 24.13 H new ATOM 0 HE ARG A 775 -15.032 -25.782 3.508 1.00 73.34 H new ATOM 0 HH11 ARG A 775 -17.225 -28.111 5.002 1.00 12.43 H new ATOM 0 HH12 ARG A 775 -16.649 -29.460 4.018 1.00 12.43 H new ATOM 0 HH21 ARG A 775 -14.297 -27.521 2.249 1.00 42.01 H new ATOM 0 HH22 ARG A 775 -14.998 -29.128 2.466 1.00 42.01 H new ATOM 673 N TRP A 776 -21.378 -27.760 4.200 1.00 3.21 N ATOM 674 CA TRP A 776 -21.794 -28.525 3.031 1.00 54.21 C ATOM 675 C TRP A 776 -22.925 -27.818 2.291 1.00 21.33 C ATOM 676 O TRP A 776 -22.966 -27.814 1.061 1.00 54.54 O ATOM 677 CB TRP A 776 -22.239 -29.928 3.447 1.00 72.40 C ATOM 678 CG TRP A 776 -23.632 -30.265 3.007 1.00 40.40 C ATOM 679 CD1 TRP A 776 -24.024 -30.664 1.761 1.00 1.12 C ATOM 680 CD2 TRP A 776 -24.817 -30.228 3.810 1.00 32.21 C ATOM 681 NE1 TRP A 776 -25.381 -30.878 1.741 1.00 33.13 N ATOM 682 CE2 TRP A 776 -25.890 -30.619 2.986 1.00 15.52 C ATOM 683 CE3 TRP A 776 -25.075 -29.906 5.145 1.00 3.23 C ATOM 684 CZ2 TRP A 776 -27.200 -30.694 3.456 1.00 45.10 C ATOM 685 CZ3 TRP A 776 -26.374 -29.980 5.609 1.00 14.01 C ATOM 686 CH2 TRP A 776 -27.423 -30.372 4.766 1.00 31.35 C ATOM 0 H TRP A 776 -21.567 -28.216 5.092 1.00 3.21 H new ATOM 0 HA TRP A 776 -20.940 -28.606 2.358 1.00 54.21 H new ATOM 0 HB2 TRP A 776 -21.547 -30.659 3.030 1.00 72.40 H new ATOM 0 HB3 TRP A 776 -22.178 -30.014 4.532 1.00 72.40 H new ATOM 0 HD1 TRP A 776 -23.364 -30.792 0.916 1.00 1.12 H new ATOM 0 HE1 TRP A 776 -25.922 -31.181 0.931 1.00 33.13 H new ATOM 0 HE3 TRP A 776 -24.273 -29.605 5.802 1.00 3.23 H new ATOM 0 HZ2 TRP A 776 -28.010 -30.996 2.809 1.00 45.10 H new ATOM 0 HZ3 TRP A 776 -26.585 -29.732 6.639 1.00 14.01 H new ATOM 0 HH2 TRP A 776 -28.428 -30.421 5.159 1.00 31.35 H new ATOM 697 N ILE A 777 -23.839 -27.222 3.048 1.00 32.21 N ATOM 698 CA ILE A 777 -24.969 -26.510 2.464 1.00 71.54 C ATOM 699 C ILE A 777 -24.661 -25.026 2.302 1.00 62.20 C ATOM 700 O ILE A 777 -25.263 -24.342 1.476 1.00 40.23 O ATOM 701 CB ILE A 777 -26.239 -26.670 3.320 1.00 3.52 C ATOM 702 CG1 ILE A 777 -27.395 -25.874 2.710 1.00 64.15 C ATOM 703 CG2 ILE A 777 -25.974 -26.217 4.748 1.00 3.00 C ATOM 704 CD1 ILE A 777 -28.760 -26.388 3.111 1.00 41.01 C ATOM 0 H ILE A 777 -23.819 -27.218 4.068 1.00 32.21 H new ATOM 0 HA ILE A 777 -25.145 -26.950 1.482 1.00 71.54 H new ATOM 0 HB ILE A 777 -26.517 -27.724 3.338 1.00 3.52 H new ATOM 0 HG12 ILE A 777 -27.306 -24.830 3.011 1.00 64.15 H new ATOM 0 HG13 ILE A 777 -27.310 -25.900 1.624 1.00 64.15 H new ATOM 0 HG21 ILE A 777 -26.880 -26.336 5.342 1.00 3.00 H new ATOM 0 HG22 ILE A 777 -25.176 -26.821 5.179 1.00 3.00 H new ATOM 0 HG23 ILE A 777 -25.675 -25.169 4.748 1.00 3.00 H new ATOM 0 HD11 ILE A 777 -29.531 -25.777 2.642 1.00 41.01 H new ATOM 0 HD12 ILE A 777 -28.869 -27.423 2.786 1.00 41.01 H new ATOM 0 HD13 ILE A 777 -28.865 -26.336 4.195 1.00 41.01 H new ATOM 716 N GLY A 778 -23.715 -24.534 3.096 1.00 0.35 N ATOM 717 CA GLY A 778 -23.341 -23.133 3.025 1.00 25.44 C ATOM 718 C GLY A 778 -22.263 -22.873 1.991 1.00 31.44 C ATOM 719 O GLY A 778 -21.258 -22.227 2.282 1.00 22.32 O ATOM 0 H GLY A 778 -23.201 -25.080 3.787 1.00 0.35 H new ATOM 0 HA2 GLY A 778 -24.221 -22.537 2.786 1.00 25.44 H new ATOM 0 HA3 GLY A 778 -22.989 -22.804 4.003 1.00 25.44 H new ATOM 723 N ASN A 779 -22.472 -23.380 0.781 1.00 53.34 N ATOM 724 CA ASN A 779 -21.510 -23.200 -0.301 1.00 12.13 C ATOM 725 C ASN A 779 -22.212 -22.800 -1.594 1.00 12.50 C ATOM 726 O ASN A 779 -21.565 -22.444 -2.579 1.00 42.10 O ATOM 727 CB ASN A 779 -20.710 -24.486 -0.518 1.00 14.00 C ATOM 728 CG ASN A 779 -19.264 -24.213 -0.883 1.00 44.40 C ATOM 729 OD1 ASN A 779 -18.479 -23.755 -0.052 1.00 44.11 O ATOM 730 ND2 ASN A 779 -18.905 -24.493 -2.130 1.00 13.02 N ATOM 0 H ASN A 779 -23.299 -23.919 0.524 1.00 53.34 H new ATOM 0 HA ASN A 779 -20.828 -22.398 -0.017 1.00 12.13 H new ATOM 0 HB2 ASN A 779 -20.745 -25.090 0.389 1.00 14.00 H new ATOM 0 HB3 ASN A 779 -21.177 -25.072 -1.309 1.00 14.00 H new ATOM 0 HD21 ASN A 779 -17.945 -24.330 -2.433 1.00 13.02 H new ATOM 0 HD22 ASN A 779 -19.589 -24.871 -2.785 1.00 13.02 H new ATOM 737 N ILE A 780 -23.540 -22.862 -1.583 1.00 53.53 N ATOM 738 CA ILE A 780 -24.330 -22.505 -2.755 1.00 43.50 C ATOM 739 C ILE A 780 -23.850 -21.191 -3.363 1.00 11.12 C ATOM 740 O ILE A 780 -23.191 -20.381 -2.710 1.00 43.30 O ATOM 741 CB ILE A 780 -25.825 -22.380 -2.410 1.00 32.34 C ATOM 742 CG1 ILE A 780 -26.647 -23.371 -3.238 1.00 1.04 C ATOM 743 CG2 ILE A 780 -26.308 -20.957 -2.645 1.00 62.55 C ATOM 744 CD1 ILE A 780 -27.356 -24.415 -2.402 1.00 53.53 C ATOM 0 H ILE A 780 -24.091 -23.156 -0.776 1.00 53.53 H new ATOM 0 HA ILE A 780 -24.198 -23.308 -3.480 1.00 43.50 H new ATOM 0 HB ILE A 780 -25.959 -22.618 -1.355 1.00 32.34 H new ATOM 0 HG12 ILE A 780 -27.386 -22.820 -3.820 1.00 1.04 H new ATOM 0 HG13 ILE A 780 -25.989 -23.872 -3.949 1.00 1.04 H new ATOM 0 HG21 ILE A 780 -27.367 -20.886 -2.396 1.00 62.55 H new ATOM 0 HG22 ILE A 780 -25.741 -20.272 -2.015 1.00 62.55 H new ATOM 0 HG23 ILE A 780 -26.163 -20.692 -3.692 1.00 62.55 H new ATOM 0 HD11 ILE A 780 -27.919 -25.083 -3.054 1.00 53.53 H new ATOM 0 HD12 ILE A 780 -26.621 -24.991 -1.840 1.00 53.53 H new ATOM 0 HD13 ILE A 780 -28.039 -23.924 -1.709 1.00 53.53 H new ATOM 756 N PRO A 781 -24.188 -20.971 -4.642 1.00 15.31 N ATOM 757 CA PRO A 781 -23.805 -19.755 -5.365 1.00 31.31 C ATOM 758 C PRO A 781 -24.541 -18.521 -4.855 1.00 73.05 C ATOM 759 O PRO A 781 -24.859 -17.615 -5.626 1.00 63.02 O ATOM 760 CB PRO A 781 -24.208 -20.060 -6.810 1.00 25.34 C ATOM 761 CG PRO A 781 -25.298 -21.068 -6.695 1.00 31.03 C ATOM 762 CD PRO A 781 -24.973 -21.893 -5.480 1.00 75.22 C ATOM 0 HA PRO A 781 -22.747 -19.524 -5.243 1.00 31.31 H new ATOM 0 HB2 PRO A 781 -24.552 -19.162 -7.323 1.00 25.34 H new ATOM 0 HB3 PRO A 781 -23.366 -20.451 -7.382 1.00 25.34 H new ATOM 0 HG2 PRO A 781 -26.268 -20.583 -6.589 1.00 31.03 H new ATOM 0 HG3 PRO A 781 -25.349 -21.691 -7.588 1.00 31.03 H new ATOM 0 HD2 PRO A 781 -25.875 -22.230 -4.970 1.00 75.22 H new ATOM 0 HD3 PRO A 781 -24.402 -22.784 -5.740 1.00 75.22 H new ATOM 770 N GLN A 782 -24.809 -18.492 -3.554 1.00 22.03 N ATOM 771 CA GLN A 782 -25.507 -17.368 -2.943 1.00 55.32 C ATOM 772 C GLN A 782 -24.538 -16.237 -2.614 1.00 31.43 C ATOM 773 O GLN A 782 -24.940 -15.081 -2.479 1.00 22.20 O ATOM 774 CB GLN A 782 -26.234 -17.820 -1.675 1.00 3.13 C ATOM 775 CG GLN A 782 -27.050 -16.719 -1.017 1.00 32.32 C ATOM 776 CD GLN A 782 -28.218 -16.268 -1.873 1.00 3.34 C ATOM 777 OE1 GLN A 782 -28.351 -15.084 -2.186 1.00 62.42 O ATOM 778 NE2 GLN A 782 -29.071 -17.210 -2.255 1.00 21.22 N ATOM 0 H GLN A 782 -24.553 -19.234 -2.903 1.00 22.03 H new ATOM 0 HA GLN A 782 -26.239 -16.995 -3.659 1.00 55.32 H new ATOM 0 HB2 GLN A 782 -26.894 -18.652 -1.921 1.00 3.13 H new ATOM 0 HB3 GLN A 782 -25.502 -18.195 -0.960 1.00 3.13 H new ATOM 0 HG2 GLN A 782 -27.424 -17.074 -0.056 1.00 32.32 H new ATOM 0 HG3 GLN A 782 -26.404 -15.866 -0.812 1.00 32.32 H new ATOM 0 HE21 GLN A 782 -28.921 -18.179 -1.972 1.00 21.22 H new ATOM 0 HE22 GLN A 782 -29.876 -16.966 -2.831 1.00 21.22 H new ATOM 787 N TYR A 783 -23.261 -16.580 -2.485 1.00 11.04 N ATOM 788 CA TYR A 783 -22.234 -15.594 -2.167 1.00 30.00 C ATOM 789 C TYR A 783 -21.989 -14.662 -3.351 1.00 35.42 C ATOM 790 O TYR A 783 -21.825 -13.454 -3.180 1.00 51.54 O ATOM 791 CB TYR A 783 -20.931 -16.292 -1.776 1.00 35.12 C ATOM 792 CG TYR A 783 -19.721 -15.388 -1.827 1.00 70.33 C ATOM 793 CD1 TYR A 783 -18.962 -15.273 -2.986 1.00 35.54 C ATOM 794 CD2 TYR A 783 -19.334 -14.649 -0.717 1.00 10.45 C ATOM 795 CE1 TYR A 783 -17.856 -14.449 -3.037 1.00 3.10 C ATOM 796 CE2 TYR A 783 -18.229 -13.821 -0.759 1.00 11.32 C ATOM 797 CZ TYR A 783 -17.493 -13.724 -1.921 1.00 74.22 C ATOM 798 OH TYR A 783 -16.391 -12.901 -1.966 1.00 61.24 O ATOM 0 H TYR A 783 -22.912 -17.532 -2.596 1.00 11.04 H new ATOM 0 HA TYR A 783 -22.586 -14.998 -1.325 1.00 30.00 H new ATOM 0 HB2 TYR A 783 -21.032 -16.693 -0.768 1.00 35.12 H new ATOM 0 HB3 TYR A 783 -20.769 -17.140 -2.442 1.00 35.12 H new ATOM 0 HD1 TYR A 783 -19.243 -15.839 -3.862 1.00 35.54 H new ATOM 0 HD2 TYR A 783 -19.907 -14.723 0.195 1.00 10.45 H new ATOM 0 HE1 TYR A 783 -17.278 -14.372 -3.946 1.00 3.10 H new ATOM 0 HE2 TYR A 783 -17.943 -13.253 0.114 1.00 11.32 H new ATOM 0 HH TYR A 783 -16.275 -12.462 -1.097 1.00 61.24 H new ATOM 808 N LEU A 784 -21.968 -15.233 -4.550 1.00 34.45 N ATOM 809 CA LEU A 784 -21.745 -14.455 -5.763 1.00 53.31 C ATOM 810 C LEU A 784 -23.056 -13.881 -6.292 1.00 62.42 C ATOM 811 O LEU A 784 -23.109 -12.736 -6.739 1.00 41.42 O ATOM 812 CB LEU A 784 -21.086 -15.325 -6.836 1.00 53.14 C ATOM 813 CG LEU A 784 -20.200 -14.591 -7.844 1.00 51.01 C ATOM 814 CD1 LEU A 784 -20.992 -13.510 -8.563 1.00 30.02 C ATOM 815 CD2 LEU A 784 -18.985 -13.993 -7.150 1.00 32.20 C ATOM 0 H LEU A 784 -22.103 -16.232 -4.708 1.00 34.45 H new ATOM 0 HA LEU A 784 -21.081 -13.626 -5.516 1.00 53.31 H new ATOM 0 HB2 LEU A 784 -20.484 -16.086 -6.339 1.00 53.14 H new ATOM 0 HB3 LEU A 784 -21.870 -15.847 -7.384 1.00 53.14 H new ATOM 0 HG LEU A 784 -19.852 -15.311 -8.585 1.00 51.01 H new ATOM 0 HD11 LEU A 784 -20.345 -12.999 -9.276 1.00 30.02 H new ATOM 0 HD12 LEU A 784 -21.829 -13.964 -9.093 1.00 30.02 H new ATOM 0 HD13 LEU A 784 -21.370 -12.791 -7.836 1.00 30.02 H new ATOM 0 HD21 LEU A 784 -18.366 -13.475 -7.882 1.00 32.20 H new ATOM 0 HD22 LEU A 784 -19.313 -13.287 -6.387 1.00 32.20 H new ATOM 0 HD23 LEU A 784 -18.405 -14.789 -6.683 1.00 32.20 H new ATOM 827 N LYS A 785 -24.112 -14.685 -6.235 1.00 71.21 N ATOM 828 CA LYS A 785 -25.425 -14.258 -6.705 1.00 0.42 C ATOM 829 C LYS A 785 -26.276 -13.743 -5.547 1.00 40.13 C ATOM 830 O LYS A 785 -27.494 -13.916 -5.536 1.00 43.23 O ATOM 831 CB LYS A 785 -26.142 -15.416 -7.402 1.00 53.04 C ATOM 832 CG LYS A 785 -27.334 -14.979 -8.236 1.00 34.22 C ATOM 833 CD LYS A 785 -28.472 -15.983 -8.150 1.00 64.24 C ATOM 834 CE LYS A 785 -29.149 -15.944 -6.789 1.00 13.01 C ATOM 835 NZ LYS A 785 -30.171 -17.017 -6.647 1.00 21.53 N1+ ATOM 0 H LYS A 785 -24.085 -15.636 -5.868 1.00 71.21 H new ATOM 0 HA LYS A 785 -25.282 -13.446 -7.418 1.00 0.42 H new ATOM 0 HB2 LYS A 785 -25.432 -15.938 -8.043 1.00 53.04 H new ATOM 0 HB3 LYS A 785 -26.478 -16.130 -6.650 1.00 53.04 H new ATOM 0 HG2 LYS A 785 -27.681 -14.004 -7.894 1.00 34.22 H new ATOM 0 HG3 LYS A 785 -27.029 -14.862 -9.276 1.00 34.22 H new ATOM 0 HD2 LYS A 785 -29.205 -15.771 -8.928 1.00 64.24 H new ATOM 0 HD3 LYS A 785 -28.089 -16.986 -8.338 1.00 64.24 H new ATOM 0 HE2 LYS A 785 -28.398 -16.052 -6.007 1.00 13.01 H new ATOM 0 HE3 LYS A 785 -29.621 -14.972 -6.646 1.00 13.01 H new ATOM 0 HZ1 LYS A 785 -30.609 -16.956 -5.706 1.00 21.53 H new ATOM 0 HZ2 LYS A 785 -30.902 -16.899 -7.378 1.00 21.53 H new ATOM 0 HZ3 LYS A 785 -29.717 -17.946 -6.758 1.00 21.53 H new ATOM 849 N MET A 786 -25.624 -13.111 -4.576 1.00 75.10 N ATOM 850 CA MET A 786 -26.323 -12.569 -3.416 1.00 44.01 C ATOM 851 C MET A 786 -27.269 -11.445 -3.826 1.00 4.20 C ATOM 852 O MET A 786 -27.233 -10.973 -4.964 1.00 72.43 O ATOM 853 CB MET A 786 -25.318 -12.054 -2.384 1.00 21.43 C ATOM 854 CG MET A 786 -24.642 -10.755 -2.789 1.00 64.43 C ATOM 855 SD MET A 786 -22.911 -10.687 -2.286 1.00 52.24 S ATOM 856 CE MET A 786 -23.017 -9.620 -0.852 1.00 52.25 C ATOM 0 H MET A 786 -24.615 -12.962 -4.569 1.00 75.10 H new ATOM 0 HA MET A 786 -26.912 -13.371 -2.971 1.00 44.01 H new ATOM 0 HB2 MET A 786 -25.830 -11.906 -1.433 1.00 21.43 H new ATOM 0 HB3 MET A 786 -24.555 -12.815 -2.221 1.00 21.43 H new ATOM 0 HG2 MET A 786 -24.707 -10.638 -3.871 1.00 64.43 H new ATOM 0 HG3 MET A 786 -25.179 -9.917 -2.345 1.00 64.43 H new ATOM 0 HE1 MET A 786 -22.023 -9.482 -0.427 1.00 52.25 H new ATOM 0 HE2 MET A 786 -23.423 -8.653 -1.147 1.00 52.25 H new ATOM 0 HE3 MET A 786 -23.670 -10.075 -0.107 1.00 52.25 H new TER 866 MET A 786