USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 58 ASN : amide:sc= 0.553 K(o=0.73,f=-9!) USER MOD Set 1.2: A 60 SER OG : rot 84:sc= 0.177 USER MOD Set 2.1: A 6 SER OG : rot -30:sc= 1.11 USER MOD Set 2.2: A 46 HIS : no HE2:sc= -0.296 K(o=0.81,f=-3.5!) USER MOD Single : A 1 PHE N :NH3+ 146:sc= 0.00499 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -33:sc= 0.912 USER MOD Single : A 12 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.44) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.821 K(o=-0.82,f=-5.6!) USER MOD Single : A 32 GLN : amide:sc= -4.92! C(o=-4.9!,f=-9.4!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.25) USER MOD Single : A 49 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.9!) USER MOD Single : A 51 SER OG : rot -141:sc= 1.27 USER MOD Single : A 55 HIS : no HE2:sc= 0.292 K(o=0.29,f=-1.1) USER MOD Single : A 57 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.3! C(o=-3.3!,f=-6!) USER MOD Single : A 67 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.00081) USER MOD Single : A 68 GLN : amide:sc= -2.06 K(o=-2.1,f=-3) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 0.0547 (180deg=-0.731!) USER MOD Single : A 73 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=-0.37) USER MOD Single : A 75 THR OG1 : rot 49:sc= 0.117 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0105) USER MOD Single : A 87 MET CE :methyl -147:sc= -0.248 (180deg=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.058 -12.272 0.251 1.00 0.00 N ATOM 2 CA PHE A 1 13.861 -10.951 0.882 1.00 0.00 C ATOM 3 C PHE A 1 12.385 -10.591 0.896 1.00 0.00 C ATOM 4 O PHE A 1 11.683 -10.758 -0.102 1.00 0.00 O ATOM 5 CB PHE A 1 14.658 -9.880 0.125 1.00 0.00 C ATOM 6 CG PHE A 1 14.535 -8.498 0.714 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.322 -8.114 1.787 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.634 -7.582 0.190 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.211 -6.849 2.332 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.517 -6.314 0.730 1.00 0.00 C ATOM 11 CZ PHE A 1 14.308 -5.947 1.801 1.00 0.00 C ATOM 0 H1 PHE A 1 14.960 -12.278 -0.267 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.075 -13.008 0.985 1.00 0.00 H new ATOM 0 H3 PHE A 1 13.278 -12.460 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 1 14.221 -10.997 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 1 15.710 -10.166 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 1 14.320 -9.854 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 1 16.032 -8.813 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.016 -7.863 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.829 -6.566 3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 1 12.809 -5.612 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 1 14.221 -4.957 2.223 1.00 0.00 H new ATOM 23 N LEU A 2 11.916 -10.122 2.037 1.00 0.00 N ATOM 24 CA LEU A 2 10.556 -9.632 2.169 1.00 0.00 C ATOM 25 C LEU A 2 10.591 -8.269 2.832 1.00 0.00 C ATOM 26 O LEU A 2 11.456 -8.019 3.669 1.00 0.00 O ATOM 27 CB LEU A 2 9.695 -10.623 2.974 1.00 0.00 C ATOM 28 CG LEU A 2 10.122 -10.864 4.429 1.00 0.00 C ATOM 29 CD1 LEU A 2 9.392 -9.919 5.377 1.00 0.00 C ATOM 30 CD2 LEU A 2 9.880 -12.314 4.823 1.00 0.00 C ATOM 0 H LEU A 2 12.464 -10.070 2.896 1.00 0.00 H new ATOM 0 HA LEU A 2 10.101 -9.539 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.666 -10.262 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.697 -11.580 2.453 1.00 0.00 H new ATOM 0 HG LEU A 2 11.190 -10.659 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.713 -10.111 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.623 -8.887 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.317 -10.082 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.188 -12.466 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.820 -12.546 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.458 -12.969 4.172 1.00 0.00 H new ATOM 42 N LEU A 3 9.696 -7.381 2.428 1.00 0.00 N ATOM 43 CA LEU A 3 9.628 -6.058 3.010 1.00 0.00 C ATOM 44 C LEU A 3 9.202 -6.138 4.465 1.00 0.00 C ATOM 45 O LEU A 3 8.086 -6.568 4.775 1.00 0.00 O ATOM 46 CB LEU A 3 8.664 -5.172 2.219 1.00 0.00 C ATOM 47 CG LEU A 3 9.159 -4.727 0.840 1.00 0.00 C ATOM 48 CD1 LEU A 3 10.444 -3.923 0.972 1.00 0.00 C ATOM 49 CD2 LEU A 3 9.364 -5.909 -0.096 1.00 0.00 C ATOM 0 H LEU A 3 9.007 -7.557 1.697 1.00 0.00 H new ATOM 0 HA LEU A 3 10.622 -5.612 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.724 -5.710 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.445 -4.284 2.811 1.00 0.00 H new ATOM 0 HG LEU A 3 8.388 -4.093 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.783 -3.614 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.260 -3.040 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.211 -4.538 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.715 -5.550 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.104 -6.587 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.420 -6.438 -0.226 1.00 0.00 H new ATOM 61 N PRO A 4 10.106 -5.750 5.372 1.00 0.00 N ATOM 62 CA PRO A 4 9.840 -5.765 6.808 1.00 0.00 C ATOM 63 C PRO A 4 8.624 -4.914 7.160 1.00 0.00 C ATOM 64 O PRO A 4 8.514 -3.767 6.722 1.00 0.00 O ATOM 65 CB PRO A 4 11.115 -5.177 7.421 1.00 0.00 C ATOM 66 CG PRO A 4 12.168 -5.362 6.382 1.00 0.00 C ATOM 67 CD PRO A 4 11.465 -5.273 5.062 1.00 0.00 C ATOM 0 HA PRO A 4 9.612 -6.765 7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.984 -4.123 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.380 -5.689 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.938 -4.596 6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.664 -6.326 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.456 -4.253 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.947 -5.893 4.306 1.00 0.00 H new ATOM 75 N PRO A 5 7.696 -5.474 7.953 1.00 0.00 N ATOM 76 CA PRO A 5 6.442 -4.802 8.322 1.00 0.00 C ATOM 77 C PRO A 5 6.656 -3.387 8.852 1.00 0.00 C ATOM 78 O PRO A 5 7.285 -3.191 9.893 1.00 0.00 O ATOM 79 CB PRO A 5 5.871 -5.702 9.417 1.00 0.00 C ATOM 80 CG PRO A 5 6.423 -7.049 9.119 1.00 0.00 C ATOM 81 CD PRO A 5 7.797 -6.815 8.557 1.00 0.00 C ATOM 0 HA PRO A 5 5.786 -4.676 7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.171 -5.361 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.781 -5.707 9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.468 -7.661 10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.794 -7.580 8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.560 -6.849 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.062 -7.570 7.817 1.00 0.00 H new ATOM 89 N SER A 6 6.158 -2.408 8.094 1.00 0.00 N ATOM 90 CA SER A 6 6.201 -0.997 8.482 1.00 0.00 C ATOM 91 C SER A 6 7.626 -0.440 8.481 1.00 0.00 C ATOM 92 O SER A 6 7.859 0.706 8.870 1.00 0.00 O ATOM 93 CB SER A 6 5.533 -0.798 9.841 1.00 0.00 C ATOM 94 OG SER A 6 4.159 -1.140 9.766 1.00 0.00 O ATOM 0 H SER A 6 5.712 -2.572 7.191 1.00 0.00 H new ATOM 0 HA SER A 6 5.644 -0.434 7.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.028 -1.414 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.640 0.239 10.159 1.00 0.00 H new ATOM 0 HG SER A 6 3.826 -0.961 8.862 1.00 0.00 H new ATOM 100 N THR A 7 8.570 -1.247 8.031 1.00 0.00 N ATOM 101 CA THR A 7 9.924 -0.786 7.823 1.00 0.00 C ATOM 102 C THR A 7 10.071 -0.392 6.363 1.00 0.00 C ATOM 103 O THR A 7 10.426 -1.212 5.513 1.00 0.00 O ATOM 104 CB THR A 7 10.947 -1.871 8.195 1.00 0.00 C ATOM 105 OG1 THR A 7 10.670 -2.355 9.518 1.00 0.00 O ATOM 106 CG2 THR A 7 12.370 -1.330 8.130 1.00 0.00 C ATOM 0 H THR A 7 8.419 -2.230 7.803 1.00 0.00 H new ATOM 0 HA THR A 7 10.119 0.071 8.467 1.00 0.00 H new ATOM 0 HB THR A 7 10.862 -2.687 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.321 -3.048 9.756 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.072 -2.120 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.582 -0.984 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.475 -0.499 8.827 1.00 0.00 H new ATOM 114 N ALA A 8 9.745 0.856 6.073 1.00 0.00 N ATOM 115 CA ALA A 8 9.623 1.302 4.701 1.00 0.00 C ATOM 116 C ALA A 8 10.978 1.584 4.074 1.00 0.00 C ATOM 117 O ALA A 8 11.466 2.708 4.091 1.00 0.00 O ATOM 118 CB ALA A 8 8.728 2.527 4.628 1.00 0.00 C ATOM 0 H ALA A 8 9.561 1.576 6.771 1.00 0.00 H new ATOM 0 HA ALA A 8 9.167 0.495 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.643 2.854 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.739 2.278 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.159 3.329 5.227 1.00 0.00 H new ATOM 124 N CYS A 9 11.576 0.542 3.529 1.00 0.00 N ATOM 125 CA CYS A 9 12.803 0.667 2.770 1.00 0.00 C ATOM 126 C CYS A 9 12.753 -0.305 1.612 1.00 0.00 C ATOM 127 O CYS A 9 12.771 -1.520 1.801 1.00 0.00 O ATOM 128 CB CYS A 9 14.034 0.394 3.633 1.00 0.00 C ATOM 129 SG CYS A 9 15.610 0.754 2.787 1.00 0.00 S ATOM 0 H CYS A 9 11.225 -0.413 3.600 1.00 0.00 H new ATOM 0 HA CYS A 9 12.887 1.691 2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.972 0.995 4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.027 -0.651 3.942 1.00 0.00 H new ATOM 134 N CYS A 10 12.659 0.228 0.417 1.00 0.00 N ATOM 135 CA CYS A 10 12.472 -0.595 -0.751 1.00 0.00 C ATOM 136 C CYS A 10 13.693 -0.549 -1.646 1.00 0.00 C ATOM 137 O CYS A 10 14.072 0.508 -2.141 1.00 0.00 O ATOM 138 CB CYS A 10 11.240 -0.137 -1.518 1.00 0.00 C ATOM 139 SG CYS A 10 10.834 -1.183 -2.944 1.00 0.00 S ATOM 0 H CYS A 10 12.709 1.229 0.229 1.00 0.00 H new ATOM 0 HA CYS A 10 12.328 -1.625 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.387 -0.117 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.397 0.885 -1.862 1.00 0.00 H new ATOM 144 N THR A 11 14.315 -1.698 -1.837 1.00 0.00 N ATOM 145 CA THR A 11 15.454 -1.806 -2.725 1.00 0.00 C ATOM 146 C THR A 11 15.098 -2.677 -3.934 1.00 0.00 C ATOM 147 O THR A 11 15.967 -3.057 -4.721 1.00 0.00 O ATOM 148 CB THR A 11 16.687 -2.368 -1.972 1.00 0.00 C ATOM 149 OG1 THR A 11 17.817 -2.468 -2.846 1.00 0.00 O ATOM 150 CG2 THR A 11 16.390 -3.729 -1.354 1.00 0.00 C ATOM 0 H THR A 11 14.048 -2.573 -1.386 1.00 0.00 H new ATOM 0 HA THR A 11 15.714 -0.810 -3.085 1.00 0.00 H new ATOM 0 HB THR A 11 16.921 -1.670 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.512 -2.686 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.276 -4.094 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.566 -3.635 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.115 -4.433 -2.139 1.00 0.00 H new ATOM 158 N GLN A 12 13.803 -2.965 -4.084 1.00 0.00 N ATOM 159 CA GLN A 12 13.305 -3.771 -5.198 1.00 0.00 C ATOM 160 C GLN A 12 11.790 -3.616 -5.365 1.00 0.00 C ATOM 161 O GLN A 12 11.014 -3.915 -4.461 1.00 0.00 O ATOM 162 CB GLN A 12 13.697 -5.258 -5.053 1.00 0.00 C ATOM 163 CG GLN A 12 13.819 -5.782 -3.620 1.00 0.00 C ATOM 164 CD GLN A 12 12.506 -5.828 -2.863 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.772 -6.811 -2.927 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.221 -4.776 -2.112 1.00 0.00 N ATOM 0 H GLN A 12 13.076 -2.649 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 12 13.783 -3.395 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.956 -5.861 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.650 -5.413 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.246 -6.785 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.520 -5.152 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.858 -3.980 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.365 -4.762 -1.558 1.00 0.00 H new ATOM 175 N LEU A 13 11.372 -3.133 -6.525 1.00 0.00 N ATOM 176 CA LEU A 13 9.957 -2.929 -6.798 1.00 0.00 C ATOM 177 C LEU A 13 9.327 -4.210 -7.337 1.00 0.00 C ATOM 178 O LEU A 13 9.941 -4.930 -8.127 1.00 0.00 O ATOM 179 CB LEU A 13 9.767 -1.797 -7.816 1.00 0.00 C ATOM 180 CG LEU A 13 10.299 -0.426 -7.392 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.165 0.565 -8.534 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.559 0.085 -6.168 1.00 0.00 C ATOM 0 H LEU A 13 11.992 -2.875 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 13 9.466 -2.656 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.257 -2.084 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.703 -1.702 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 13 11.353 -0.533 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.547 1.536 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.736 0.211 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.115 0.660 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.954 1.061 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.497 0.176 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.694 -0.614 -5.343 1.00 0.00 H new ATOM 194 N TYR A 14 8.106 -4.500 -6.904 1.00 0.00 N ATOM 195 CA TYR A 14 7.368 -5.643 -7.428 1.00 0.00 C ATOM 196 C TYR A 14 6.958 -5.362 -8.871 1.00 0.00 C ATOM 197 O TYR A 14 6.988 -6.254 -9.720 1.00 0.00 O ATOM 198 CB TYR A 14 6.137 -5.926 -6.561 1.00 0.00 C ATOM 199 CG TYR A 14 5.433 -7.228 -6.880 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.839 -8.420 -6.292 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.355 -7.264 -7.752 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.192 -9.608 -6.569 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.705 -8.448 -8.036 1.00 0.00 C ATOM 204 CZ TYR A 14 4.125 -9.616 -7.440 1.00 0.00 C ATOM 205 OH TYR A 14 3.474 -10.795 -7.719 1.00 0.00 O ATOM 0 H TYR A 14 7.608 -3.962 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 14 8.006 -6.526 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.440 -5.938 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.429 -5.106 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.674 -8.417 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.018 -6.349 -8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.521 -10.526 -6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.871 -8.458 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 14 2.745 -10.624 -8.351 1.00 0.00 H new ATOM 215 N ARG A 15 6.579 -4.102 -9.124 1.00 0.00 N ATOM 216 CA ARG A 15 6.271 -3.601 -10.472 1.00 0.00 C ATOM 217 C ARG A 15 4.923 -4.102 -11.000 1.00 0.00 C ATOM 218 O ARG A 15 4.101 -3.304 -11.448 1.00 0.00 O ATOM 219 CB ARG A 15 7.405 -3.937 -11.447 1.00 0.00 C ATOM 220 CG ARG A 15 8.571 -2.963 -11.362 1.00 0.00 C ATOM 221 CD ARG A 15 9.869 -3.582 -11.856 1.00 0.00 C ATOM 222 NE ARG A 15 10.418 -4.532 -10.888 1.00 0.00 N ATOM 223 CZ ARG A 15 11.662 -5.011 -10.926 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.478 -4.682 -11.922 1.00 0.00 N ATOM 225 NH2 ARG A 15 12.084 -5.824 -9.963 1.00 0.00 N ATOM 0 H ARG A 15 6.477 -3.396 -8.395 1.00 0.00 H new ATOM 0 HA ARG A 15 6.186 -2.517 -10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.765 -4.945 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.013 -3.938 -12.464 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.345 -2.075 -11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.695 -2.636 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.692 -4.090 -12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.598 -2.795 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 15 9.809 -4.849 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.154 -4.060 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.428 -5.051 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.457 -6.079 -9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.035 -6.193 -9.987 1.00 0.00 H new ATOM 239 N LYS A 16 4.701 -5.408 -10.948 1.00 0.00 N ATOM 240 CA LYS A 16 3.442 -5.992 -11.406 1.00 0.00 C ATOM 241 C LYS A 16 2.283 -5.593 -10.494 1.00 0.00 C ATOM 242 O LYS A 16 2.473 -5.367 -9.297 1.00 0.00 O ATOM 243 CB LYS A 16 3.543 -7.523 -11.478 1.00 0.00 C ATOM 244 CG LYS A 16 3.886 -8.055 -12.860 1.00 0.00 C ATOM 245 CD LYS A 16 5.227 -7.543 -13.350 1.00 0.00 C ATOM 246 CE LYS A 16 5.519 -8.031 -14.759 1.00 0.00 C ATOM 247 NZ LYS A 16 6.824 -7.532 -15.258 1.00 0.00 N ATOM 0 H LYS A 16 5.375 -6.086 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 16 3.247 -5.603 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.301 -7.861 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.595 -7.955 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.901 -9.145 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.107 -7.763 -13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.232 -6.453 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.015 -7.877 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.518 -9.121 -14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.724 -7.702 -15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.986 -7.887 -16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.817 -6.492 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.585 -7.867 -14.634 1.00 0.00 H new ATOM 261 N PRO A 17 1.070 -5.473 -11.057 1.00 0.00 N ATOM 262 CA PRO A 17 -0.136 -5.184 -10.281 1.00 0.00 C ATOM 263 C PRO A 17 -0.459 -6.307 -9.300 1.00 0.00 C ATOM 264 O PRO A 17 -0.564 -7.475 -9.688 1.00 0.00 O ATOM 265 CB PRO A 17 -1.238 -5.071 -11.342 1.00 0.00 C ATOM 266 CG PRO A 17 -0.705 -5.795 -12.530 1.00 0.00 C ATOM 267 CD PRO A 17 0.780 -5.595 -12.496 1.00 0.00 C ATOM 0 HA PRO A 17 -0.025 -4.285 -9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.169 -5.517 -10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.453 -4.029 -11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.958 -6.854 -12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.132 -5.401 -13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.310 -6.436 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.079 -4.701 -13.044 1.00 0.00 H new ATOM 275 N LEU A 18 -0.606 -5.953 -8.031 1.00 0.00 N ATOM 276 CA LEU A 18 -0.925 -6.931 -7.004 1.00 0.00 C ATOM 277 C LEU A 18 -2.308 -7.525 -7.237 1.00 0.00 C ATOM 278 O LEU A 18 -3.263 -6.811 -7.536 1.00 0.00 O ATOM 279 CB LEU A 18 -0.851 -6.305 -5.609 1.00 0.00 C ATOM 280 CG LEU A 18 0.534 -5.810 -5.186 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.522 -5.341 -3.740 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.571 -6.901 -5.380 1.00 0.00 C ATOM 0 H LEU A 18 -0.509 -4.997 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.186 -7.730 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.546 -5.467 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.194 -7.040 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 18 0.799 -4.962 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.517 -4.994 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.192 -4.525 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.232 -6.168 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.550 -6.531 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.305 -7.768 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.604 -7.189 -6.431 1.00 0.00 H new ATOM 294 N SER A 19 -2.398 -8.836 -7.109 1.00 0.00 N ATOM 295 CA SER A 19 -3.637 -9.551 -7.351 1.00 0.00 C ATOM 296 C SER A 19 -4.678 -9.229 -6.276 1.00 0.00 C ATOM 297 O SER A 19 -4.330 -8.939 -5.128 1.00 0.00 O ATOM 298 CB SER A 19 -3.348 -11.051 -7.390 1.00 0.00 C ATOM 299 OG SER A 19 -2.213 -11.320 -8.200 1.00 0.00 O ATOM 0 H SER A 19 -1.617 -9.433 -6.835 1.00 0.00 H new ATOM 0 HA SER A 19 -4.049 -9.235 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.176 -11.420 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.215 -11.584 -7.781 1.00 0.00 H new ATOM 0 HG SER A 19 -2.041 -12.285 -8.212 1.00 0.00 H new ATOM 305 N ASP A 20 -5.956 -9.292 -6.655 1.00 0.00 N ATOM 306 CA ASP A 20 -7.065 -8.988 -5.743 1.00 0.00 C ATOM 307 C ASP A 20 -6.994 -9.874 -4.501 1.00 0.00 C ATOM 308 O ASP A 20 -7.399 -9.475 -3.406 1.00 0.00 O ATOM 309 CB ASP A 20 -8.404 -9.203 -6.452 1.00 0.00 C ATOM 310 CG ASP A 20 -9.560 -8.509 -5.752 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.842 -8.822 -4.578 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.196 -7.637 -6.374 1.00 0.00 O ATOM 0 H ASP A 20 -6.252 -9.553 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.983 -7.945 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.331 -8.835 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.611 -10.272 -6.512 1.00 0.00 H new ATOM 317 N LYS A 21 -6.452 -11.069 -4.693 1.00 0.00 N ATOM 318 CA LYS A 21 -6.262 -12.034 -3.616 1.00 0.00 C ATOM 319 C LYS A 21 -5.461 -11.417 -2.477 1.00 0.00 C ATOM 320 O LYS A 21 -5.822 -11.539 -1.309 1.00 0.00 O ATOM 321 CB LYS A 21 -5.518 -13.259 -4.146 1.00 0.00 C ATOM 322 CG LYS A 21 -6.247 -14.003 -5.251 1.00 0.00 C ATOM 323 CD LYS A 21 -7.381 -14.850 -4.701 1.00 0.00 C ATOM 324 CE LYS A 21 -7.972 -15.745 -5.775 1.00 0.00 C ATOM 325 NZ LYS A 21 -8.877 -16.772 -5.201 1.00 0.00 N ATOM 0 H LYS A 21 -6.130 -11.399 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.242 -12.328 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.543 -12.945 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.338 -13.946 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.643 -13.288 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.543 -14.640 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.014 -15.461 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.158 -14.202 -4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.522 -15.137 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.167 -16.235 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.260 -17.363 -5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.346 -17.369 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.659 -16.304 -4.700 1.00 0.00 H new ATOM 339 N LEU A 22 -4.373 -10.748 -2.834 1.00 0.00 N ATOM 340 CA LEU A 22 -3.508 -10.111 -1.854 1.00 0.00 C ATOM 341 C LEU A 22 -4.199 -8.880 -1.305 1.00 0.00 C ATOM 342 O LEU A 22 -4.122 -8.581 -0.118 1.00 0.00 O ATOM 343 CB LEU A 22 -2.178 -9.689 -2.485 1.00 0.00 C ATOM 344 CG LEU A 22 -1.751 -10.471 -3.729 1.00 0.00 C ATOM 345 CD1 LEU A 22 -0.454 -9.912 -4.288 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.596 -11.949 -3.417 1.00 0.00 C ATOM 0 H LEU A 22 -4.069 -10.633 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.307 -10.827 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.241 -8.633 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.395 -9.784 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.533 -10.362 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.164 -10.480 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.595 -8.866 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.330 -9.989 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.292 -12.481 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.838 -12.080 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.547 -12.348 -3.063 1.00 0.00 H new ATOM 358 N LEU A 23 -4.889 -8.188 -2.197 1.00 0.00 N ATOM 359 CA LEU A 23 -5.530 -6.924 -1.884 1.00 0.00 C ATOM 360 C LEU A 23 -6.527 -7.052 -0.729 1.00 0.00 C ATOM 361 O LEU A 23 -6.513 -6.249 0.197 1.00 0.00 O ATOM 362 CB LEU A 23 -6.202 -6.363 -3.142 1.00 0.00 C ATOM 363 CG LEU A 23 -5.396 -5.283 -3.879 1.00 0.00 C ATOM 364 CD1 LEU A 23 -3.983 -5.759 -4.167 1.00 0.00 C ATOM 365 CD2 LEU A 23 -6.085 -4.880 -5.175 1.00 0.00 C ATOM 0 H LEU A 23 -5.020 -8.490 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.762 -6.227 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.394 -7.185 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.170 -5.947 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.342 -4.411 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.434 -4.975 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.479 -5.991 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.020 -6.653 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.495 -4.114 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.178 -5.751 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.077 -4.486 -4.953 1.00 0.00 H new ATOM 377 N ARG A 24 -7.367 -8.078 -0.757 1.00 0.00 N ATOM 378 CA ARG A 24 -8.365 -8.272 0.298 1.00 0.00 C ATOM 379 C ARG A 24 -7.707 -8.688 1.618 1.00 0.00 C ATOM 380 O ARG A 24 -8.364 -8.790 2.653 1.00 0.00 O ATOM 381 CB ARG A 24 -9.392 -9.319 -0.133 1.00 0.00 C ATOM 382 CG ARG A 24 -8.806 -10.708 -0.334 1.00 0.00 C ATOM 383 CD ARG A 24 -9.779 -11.616 -1.059 1.00 0.00 C ATOM 384 NE ARG A 24 -10.097 -11.105 -2.392 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.848 -11.745 -3.278 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.377 -12.927 -2.982 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.080 -11.188 -4.457 1.00 0.00 N ATOM 0 H ARG A 24 -7.382 -8.786 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.872 -7.321 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.180 -9.373 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.860 -8.994 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.880 -10.635 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.552 -11.142 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.352 -12.615 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.695 -11.709 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.716 -10.197 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.207 -13.348 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.954 -13.414 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.682 -10.275 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.656 -11.672 -5.145 1.00 0.00 H new ATOM 401 N LYS A 25 -6.404 -8.900 1.568 1.00 0.00 N ATOM 402 CA LYS A 25 -5.636 -9.333 2.730 1.00 0.00 C ATOM 403 C LYS A 25 -4.690 -8.234 3.198 1.00 0.00 C ATOM 404 O LYS A 25 -3.913 -8.423 4.138 1.00 0.00 O ATOM 405 CB LYS A 25 -4.852 -10.602 2.414 1.00 0.00 C ATOM 406 CG LYS A 25 -5.743 -11.791 2.098 1.00 0.00 C ATOM 407 CD LYS A 25 -4.937 -13.062 1.899 1.00 0.00 C ATOM 408 CE LYS A 25 -3.948 -12.917 0.761 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.140 -14.149 0.571 1.00 0.00 N ATOM 0 H LYS A 25 -5.845 -8.778 0.723 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.339 -9.548 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.194 -10.413 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.215 -10.849 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.457 -11.936 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.322 -11.583 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.403 -13.304 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.611 -13.894 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.485 -12.689 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.285 -12.075 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.475 -14.010 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.608 -14.353 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.770 -14.948 0.355 1.00 0.00 H new ATOM 423 N VAL A 26 -4.748 -7.089 2.528 1.00 0.00 N ATOM 424 CA VAL A 26 -3.980 -5.923 2.937 1.00 0.00 C ATOM 425 C VAL A 26 -4.666 -5.283 4.138 1.00 0.00 C ATOM 426 O VAL A 26 -5.877 -5.412 4.295 1.00 0.00 O ATOM 427 CB VAL A 26 -3.858 -4.887 1.789 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.982 -3.715 2.195 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.307 -5.539 0.531 1.00 0.00 C ATOM 0 H VAL A 26 -5.321 -6.945 1.697 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.972 -6.244 3.198 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.859 -4.509 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.916 -3.007 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.416 -3.220 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.984 -4.076 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.230 -4.794 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.320 -5.952 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.976 -6.339 0.213 1.00 0.00 H new ATOM 439 N ILE A 27 -3.902 -4.633 5.004 1.00 0.00 N ATOM 440 CA ILE A 27 -4.478 -3.985 6.174 1.00 0.00 C ATOM 441 C ILE A 27 -4.041 -2.527 6.282 1.00 0.00 C ATOM 442 O ILE A 27 -4.688 -1.734 6.960 1.00 0.00 O ATOM 443 CB ILE A 27 -4.115 -4.729 7.480 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.599 -4.920 7.589 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.833 -6.071 7.548 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.161 -5.707 8.807 1.00 0.00 C ATOM 0 H ILE A 27 -2.890 -4.540 4.920 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.559 -4.020 6.042 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.443 -4.122 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.242 -5.429 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.121 -3.941 7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.565 -6.580 8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.911 -5.909 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.537 -6.685 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.075 -5.798 8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.485 -5.190 9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.608 -6.701 8.778 1.00 0.00 H new ATOM 458 N GLN A 28 -2.949 -2.171 5.608 1.00 0.00 N ATOM 459 CA GLN A 28 -2.416 -0.813 5.684 1.00 0.00 C ATOM 460 C GLN A 28 -1.742 -0.392 4.387 1.00 0.00 C ATOM 461 O GLN A 28 -1.279 -1.229 3.611 1.00 0.00 O ATOM 462 CB GLN A 28 -1.405 -0.691 6.827 1.00 0.00 C ATOM 463 CG GLN A 28 -2.040 -0.505 8.191 1.00 0.00 C ATOM 464 CD GLN A 28 -2.865 0.760 8.275 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.580 1.749 7.600 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.890 0.739 9.109 1.00 0.00 N ATOM 0 H GLN A 28 -2.419 -2.801 5.006 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.265 -0.154 5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.783 -1.586 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.745 0.153 6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.673 -1.364 8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.260 -0.478 8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.091 -0.102 9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.481 1.564 9.212 1.00 0.00 H new ATOM 475 N VAL A 29 -1.695 0.913 4.166 1.00 0.00 N ATOM 476 CA VAL A 29 -0.951 1.488 3.058 1.00 0.00 C ATOM 477 C VAL A 29 0.200 2.313 3.618 1.00 0.00 C ATOM 478 O VAL A 29 -0.019 3.271 4.360 1.00 0.00 O ATOM 479 CB VAL A 29 -1.836 2.386 2.167 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.048 2.899 0.970 1.00 0.00 C ATOM 481 CG2 VAL A 29 -3.081 1.640 1.712 1.00 0.00 C ATOM 0 H VAL A 29 -2.171 1.601 4.749 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.581 0.672 2.438 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.154 3.244 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.690 3.530 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.194 3.480 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.695 2.055 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.688 2.294 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.789 0.759 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.659 1.332 2.583 1.00 0.00 H new ATOM 491 N GLU A 30 1.420 1.933 3.282 1.00 0.00 N ATOM 492 CA GLU A 30 2.600 2.562 3.854 1.00 0.00 C ATOM 493 C GLU A 30 3.361 3.328 2.781 1.00 0.00 C ATOM 494 O GLU A 30 3.261 3.021 1.592 1.00 0.00 O ATOM 495 CB GLU A 30 3.501 1.496 4.487 1.00 0.00 C ATOM 496 CG GLU A 30 2.722 0.303 5.019 1.00 0.00 C ATOM 497 CD GLU A 30 3.543 -0.615 5.912 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.367 -1.391 5.393 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.338 -0.589 7.151 1.00 0.00 O ATOM 0 H GLU A 30 1.621 1.189 2.614 1.00 0.00 H new ATOM 0 HA GLU A 30 2.289 3.266 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.223 1.151 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.069 1.945 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.860 0.664 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.337 -0.273 4.177 1.00 0.00 H new ATOM 506 N LEU A 31 4.118 4.325 3.198 1.00 0.00 N ATOM 507 CA LEU A 31 4.875 5.140 2.267 1.00 0.00 C ATOM 508 C LEU A 31 6.331 5.225 2.693 1.00 0.00 C ATOM 509 O LEU A 31 6.637 5.645 3.810 1.00 0.00 O ATOM 510 CB LEU A 31 4.270 6.546 2.181 1.00 0.00 C ATOM 511 CG LEU A 31 5.048 7.548 1.324 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.116 7.086 -0.123 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.413 8.926 1.417 1.00 0.00 C ATOM 0 H LEU A 31 4.225 4.590 4.177 1.00 0.00 H new ATOM 0 HA LEU A 31 4.828 4.673 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.258 6.463 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.184 6.948 3.191 1.00 0.00 H new ATOM 0 HG LEU A 31 6.067 7.608 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.674 7.814 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.617 6.119 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.106 6.993 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.976 9.628 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.384 8.877 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.423 9.262 2.454 1.00 0.00 H new ATOM 525 N GLN A 32 7.226 4.805 1.812 1.00 0.00 N ATOM 526 CA GLN A 32 8.643 4.974 2.059 1.00 0.00 C ATOM 527 C GLN A 32 9.026 6.416 1.800 1.00 0.00 C ATOM 528 O GLN A 32 9.106 6.850 0.652 1.00 0.00 O ATOM 529 CB GLN A 32 9.493 4.047 1.184 1.00 0.00 C ATOM 530 CG GLN A 32 10.991 4.225 1.412 1.00 0.00 C ATOM 531 CD GLN A 32 11.851 3.419 0.457 1.00 0.00 C ATOM 532 OE1 GLN A 32 12.959 3.008 0.792 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.350 3.188 -0.741 1.00 0.00 N ATOM 0 H GLN A 32 6.996 4.349 0.929 1.00 0.00 H new ATOM 0 HA GLN A 32 8.838 4.711 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.220 3.012 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.265 4.236 0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.242 5.281 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.231 3.937 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.426 3.545 -0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.886 2.653 -1.424 1.00 0.00 H new ATOM 542 N GLU A 33 9.221 7.158 2.870 1.00 0.00 N ATOM 543 CA GLU A 33 9.667 8.531 2.767 1.00 0.00 C ATOM 544 C GLU A 33 11.110 8.550 2.287 1.00 0.00 C ATOM 545 O GLU A 33 11.950 7.815 2.811 1.00 0.00 O ATOM 546 CB GLU A 33 9.509 9.223 4.120 1.00 0.00 C ATOM 547 CG GLU A 33 8.061 9.269 4.587 1.00 0.00 C ATOM 548 CD GLU A 33 7.920 9.584 6.059 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.243 10.718 6.467 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.489 8.695 6.819 1.00 0.00 O ATOM 0 H GLU A 33 9.077 6.831 3.825 1.00 0.00 H new ATOM 0 HA GLU A 33 9.061 9.076 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.111 8.701 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.898 10.239 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.523 10.020 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.589 8.309 4.381 1.00 0.00 H new ATOM 557 N ALA A 34 11.385 9.405 1.306 1.00 0.00 N ATOM 558 CA ALA A 34 12.653 9.393 0.570 1.00 0.00 C ATOM 559 C ALA A 34 13.829 9.924 1.393 1.00 0.00 C ATOM 560 O ALA A 34 14.792 10.464 0.841 1.00 0.00 O ATOM 561 CB ALA A 34 12.507 10.184 -0.720 1.00 0.00 C ATOM 0 H ALA A 34 10.736 10.128 0.996 1.00 0.00 H new ATOM 0 HA ALA A 34 12.882 8.352 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.452 10.172 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.728 9.734 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.236 11.214 -0.487 1.00 0.00 H new ATOM 567 N ASP A 35 13.756 9.739 2.701 1.00 0.00 N ATOM 568 CA ASP A 35 14.816 10.151 3.609 1.00 0.00 C ATOM 569 C ASP A 35 14.464 9.756 5.035 1.00 0.00 C ATOM 570 O ASP A 35 15.342 9.485 5.852 1.00 0.00 O ATOM 571 CB ASP A 35 15.050 11.663 3.531 1.00 0.00 C ATOM 572 CG ASP A 35 16.220 12.110 4.380 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.374 11.804 4.013 1.00 0.00 O ATOM 574 OD2 ASP A 35 15.990 12.774 5.410 1.00 0.00 O ATOM 0 H ASP A 35 12.961 9.299 3.164 1.00 0.00 H new ATOM 0 HA ASP A 35 15.734 9.646 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.228 11.947 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.149 12.185 3.855 1.00 0.00 H new ATOM 579 N GLY A 36 13.162 9.707 5.314 1.00 0.00 N ATOM 580 CA GLY A 36 12.687 9.344 6.639 1.00 0.00 C ATOM 581 C GLY A 36 13.119 7.954 7.059 1.00 0.00 C ATOM 582 O GLY A 36 13.274 7.675 8.249 1.00 0.00 O ATOM 0 H GLY A 36 12.424 9.914 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.058 10.069 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.599 9.402 6.658 1.00 0.00 H new ATOM 586 N ASP A 37 13.310 7.075 6.087 1.00 0.00 N ATOM 587 CA ASP A 37 13.797 5.734 6.368 1.00 0.00 C ATOM 588 C ASP A 37 15.018 5.444 5.505 1.00 0.00 C ATOM 589 O ASP A 37 16.130 5.302 6.014 1.00 0.00 O ATOM 590 CB ASP A 37 12.705 4.695 6.112 1.00 0.00 C ATOM 591 CG ASP A 37 12.999 3.365 6.783 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.906 2.642 6.329 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.329 3.048 7.788 1.00 0.00 O ATOM 0 H ASP A 37 13.136 7.265 5.100 1.00 0.00 H new ATOM 0 HA ASP A 37 14.078 5.675 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.751 5.078 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.599 4.541 5.038 1.00 0.00 H new ATOM 598 N CYS A 38 14.805 5.397 4.197 1.00 0.00 N ATOM 599 CA CYS A 38 15.884 5.185 3.241 1.00 0.00 C ATOM 600 C CYS A 38 15.895 6.306 2.201 1.00 0.00 C ATOM 601 O CYS A 38 15.133 7.259 2.323 1.00 0.00 O ATOM 602 CB CYS A 38 15.742 3.808 2.597 1.00 0.00 C ATOM 603 SG CYS A 38 16.263 2.446 3.697 1.00 0.00 S ATOM 0 H CYS A 38 13.885 5.504 3.770 1.00 0.00 H new ATOM 0 HA CYS A 38 16.843 5.212 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.703 3.655 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.336 3.777 1.684 1.00 0.00 H new ATOM 608 N HIS A 39 16.744 6.195 1.180 1.00 0.00 N ATOM 609 CA HIS A 39 17.015 7.322 0.285 1.00 0.00 C ATOM 610 C HIS A 39 15.914 7.548 -0.749 1.00 0.00 C ATOM 611 O HIS A 39 15.768 8.655 -1.260 1.00 0.00 O ATOM 612 CB HIS A 39 18.346 7.123 -0.442 1.00 0.00 C ATOM 613 CG HIS A 39 19.540 7.070 0.464 1.00 0.00 C ATOM 614 ND1 HIS A 39 20.370 8.148 0.680 1.00 0.00 N ATOM 615 CD2 HIS A 39 20.054 6.052 1.193 1.00 0.00 C ATOM 616 CE1 HIS A 39 21.342 7.795 1.499 1.00 0.00 C ATOM 617 NE2 HIS A 39 21.173 6.528 1.826 1.00 0.00 N ATOM 0 H HIS A 39 17.254 5.342 0.952 1.00 0.00 H new ATOM 0 HA HIS A 39 17.057 8.206 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.299 6.198 -1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.482 7.935 -1.156 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.656 5.050 1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.141 8.435 1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 39 21.776 5.990 2.448 1.00 0.00 H new ATOM 626 N LEU A 40 15.151 6.517 -1.077 1.00 0.00 N ATOM 627 CA LEU A 40 14.154 6.642 -2.135 1.00 0.00 C ATOM 628 C LEU A 40 12.736 6.611 -1.577 1.00 0.00 C ATOM 629 O LEU A 40 12.531 6.361 -0.391 1.00 0.00 O ATOM 630 CB LEU A 40 14.313 5.539 -3.182 1.00 0.00 C ATOM 631 CG LEU A 40 14.013 4.125 -2.694 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.422 3.305 -3.825 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.275 3.465 -2.157 1.00 0.00 C ATOM 0 H LEU A 40 15.199 5.598 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 40 14.321 7.609 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.656 5.762 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.335 5.565 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 40 13.288 4.179 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.210 2.296 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.498 3.771 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.133 3.258 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.041 2.457 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.024 3.414 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.666 4.050 -1.325 1.00 0.00 H new ATOM 645 N GLN A 41 11.767 6.869 -2.446 1.00 0.00 N ATOM 646 CA GLN A 41 10.361 6.856 -2.069 1.00 0.00 C ATOM 647 C GLN A 41 9.630 5.723 -2.786 1.00 0.00 C ATOM 648 O GLN A 41 9.899 5.445 -3.955 1.00 0.00 O ATOM 649 CB GLN A 41 9.705 8.193 -2.422 1.00 0.00 C ATOM 650 CG GLN A 41 8.239 8.276 -2.030 1.00 0.00 C ATOM 651 CD GLN A 41 7.549 9.518 -2.565 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.634 10.051 -1.942 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.968 9.978 -3.736 1.00 0.00 N ATOM 0 H GLN A 41 11.933 7.092 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 41 10.295 6.698 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.250 8.997 -1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.795 8.360 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.720 7.392 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.158 8.262 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.731 9.509 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.528 10.801 -4.148 1.00 0.00 H new ATOM 662 N ALA A 42 8.704 5.077 -2.086 1.00 0.00 N ATOM 663 CA ALA A 42 7.914 3.998 -2.668 1.00 0.00 C ATOM 664 C ALA A 42 6.607 3.825 -1.919 1.00 0.00 C ATOM 665 O ALA A 42 6.535 4.092 -0.721 1.00 0.00 O ATOM 666 CB ALA A 42 8.684 2.689 -2.635 1.00 0.00 C ATOM 0 H ALA A 42 8.482 5.283 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 42 7.703 4.265 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.076 1.898 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.607 2.795 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.922 2.433 -1.603 1.00 0.00 H new ATOM 672 N PHE A 43 5.583 3.378 -2.621 1.00 0.00 N ATOM 673 CA PHE A 43 4.325 3.041 -1.984 1.00 0.00 C ATOM 674 C PHE A 43 4.311 1.563 -1.644 1.00 0.00 C ATOM 675 O PHE A 43 4.421 0.707 -2.519 1.00 0.00 O ATOM 676 CB PHE A 43 3.140 3.407 -2.874 1.00 0.00 C ATOM 677 CG PHE A 43 2.627 4.797 -2.635 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.806 5.059 -1.549 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.964 5.840 -3.482 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.331 6.333 -1.314 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.490 7.117 -3.252 1.00 0.00 C ATOM 682 CZ PHE A 43 1.674 7.364 -2.166 1.00 0.00 C ATOM 0 H PHE A 43 5.598 3.240 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 43 4.230 3.619 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.435 3.311 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.333 2.695 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.535 4.256 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.604 5.653 -4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.692 6.524 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.757 7.921 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.305 8.362 -1.983 1.00 0.00 H new ATOM 692 N VAL A 44 4.199 1.272 -0.365 1.00 0.00 N ATOM 693 CA VAL A 44 4.332 -0.084 0.123 1.00 0.00 C ATOM 694 C VAL A 44 3.031 -0.537 0.775 1.00 0.00 C ATOM 695 O VAL A 44 2.467 0.167 1.603 1.00 0.00 O ATOM 696 CB VAL A 44 5.502 -0.175 1.124 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.692 -1.595 1.626 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.777 0.345 0.475 1.00 0.00 C ATOM 0 H VAL A 44 4.014 1.964 0.361 1.00 0.00 H new ATOM 0 HA VAL A 44 4.545 -0.744 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 44 5.265 0.446 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.524 -1.624 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.783 -1.929 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.906 -2.253 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.600 0.279 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.008 -0.255 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.637 1.384 0.179 1.00 0.00 H new ATOM 708 N LEU A 45 2.542 -1.700 0.387 1.00 0.00 N ATOM 709 CA LEU A 45 1.288 -2.202 0.923 1.00 0.00 C ATOM 710 C LEU A 45 1.532 -3.196 2.039 1.00 0.00 C ATOM 711 O LEU A 45 2.270 -4.163 1.876 1.00 0.00 O ATOM 712 CB LEU A 45 0.435 -2.826 -0.180 1.00 0.00 C ATOM 713 CG LEU A 45 -0.109 -1.819 -1.196 1.00 0.00 C ATOM 714 CD1 LEU A 45 -1.027 -2.494 -2.199 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.841 -0.695 -0.482 1.00 0.00 C ATOM 0 H LEU A 45 2.990 -2.313 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 45 0.741 -1.356 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.031 -3.571 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.403 -3.353 0.278 1.00 0.00 H new ATOM 0 HG LEU A 45 0.736 -1.400 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.398 -1.754 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.475 -3.266 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.868 -2.948 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.223 0.014 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.672 -1.108 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.154 -0.184 0.193 1.00 0.00 H new ATOM 727 N HIS A 46 0.898 -2.950 3.172 1.00 0.00 N ATOM 728 CA HIS A 46 1.080 -3.781 4.349 1.00 0.00 C ATOM 729 C HIS A 46 -0.055 -4.784 4.453 1.00 0.00 C ATOM 730 O HIS A 46 -1.183 -4.423 4.784 1.00 0.00 O ATOM 731 CB HIS A 46 1.123 -2.908 5.609 1.00 0.00 C ATOM 732 CG HIS A 46 1.590 -3.617 6.849 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.636 -3.159 7.616 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.132 -4.729 7.472 1.00 0.00 C ATOM 735 CE1 HIS A 46 2.803 -3.955 8.654 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.903 -4.916 8.590 1.00 0.00 N ATOM 0 H HIS A 46 0.248 -2.175 3.302 1.00 0.00 H new ATOM 0 HA HIS A 46 2.024 -4.318 4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.780 -2.058 5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.126 -2.506 5.790 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.196 -2.331 7.413 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.312 -5.353 7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.550 -3.839 9.425 1.00 0.00 H new ATOM 745 N LEU A 47 0.242 -6.036 4.159 1.00 0.00 N ATOM 746 CA LEU A 47 -0.749 -7.093 4.257 1.00 0.00 C ATOM 747 C LEU A 47 -0.670 -7.745 5.629 1.00 0.00 C ATOM 748 O LEU A 47 0.273 -7.496 6.383 1.00 0.00 O ATOM 749 CB LEU A 47 -0.547 -8.147 3.164 1.00 0.00 C ATOM 750 CG LEU A 47 -0.832 -7.697 1.726 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.256 -6.770 1.207 1.00 0.00 C ATOM 752 CD2 LEU A 47 -0.969 -8.906 0.818 1.00 0.00 C ATOM 0 H LEU A 47 1.163 -6.347 3.850 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.735 -6.650 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.483 -8.499 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.187 -9.000 3.389 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.770 -7.142 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.022 -6.471 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.313 -5.885 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.214 -7.289 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.171 -8.575 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.043 -9.481 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.791 -9.531 1.166 1.00 0.00 H new ATOM 764 N ALA A 48 -1.641 -8.597 5.934 1.00 0.00 N ATOM 765 CA ALA A 48 -1.747 -9.224 7.252 1.00 0.00 C ATOM 766 C ALA A 48 -0.637 -10.248 7.504 1.00 0.00 C ATOM 767 O ALA A 48 -0.661 -10.967 8.502 1.00 0.00 O ATOM 768 CB ALA A 48 -3.112 -9.876 7.413 1.00 0.00 C ATOM 0 H ALA A 48 -2.375 -8.874 5.281 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.629 -8.435 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.180 -10.339 8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.891 -9.120 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.245 -10.637 6.644 1.00 0.00 H new ATOM 774 N GLN A 49 0.325 -10.321 6.597 1.00 0.00 N ATOM 775 CA GLN A 49 1.476 -11.188 6.776 1.00 0.00 C ATOM 776 C GLN A 49 2.741 -10.346 6.745 1.00 0.00 C ATOM 777 O GLN A 49 3.563 -10.399 7.657 1.00 0.00 O ATOM 778 CB GLN A 49 1.562 -12.260 5.679 1.00 0.00 C ATOM 779 CG GLN A 49 0.233 -12.644 5.048 1.00 0.00 C ATOM 780 CD GLN A 49 -0.227 -11.623 4.028 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.590 -10.948 3.406 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.531 -11.495 3.855 1.00 0.00 N ATOM 0 H GLN A 49 0.330 -9.788 5.727 1.00 0.00 H new ATOM 0 HA GLN A 49 1.369 -11.695 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.229 -11.903 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.018 -13.155 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.327 -13.618 4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.523 -12.744 5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.176 -12.075 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.892 -10.816 3.185 1.00 0.00 H new ATOM 791 N ARG A 50 2.872 -9.556 5.683 1.00 0.00 N ATOM 792 CA ARG A 50 4.044 -8.718 5.475 1.00 0.00 C ATOM 793 C ARG A 50 3.733 -7.609 4.477 1.00 0.00 C ATOM 794 O ARG A 50 2.625 -7.541 3.946 1.00 0.00 O ATOM 795 CB ARG A 50 5.242 -9.559 5.002 1.00 0.00 C ATOM 796 CG ARG A 50 4.906 -10.657 3.992 1.00 0.00 C ATOM 797 CD ARG A 50 4.371 -10.108 2.675 1.00 0.00 C ATOM 798 NE ARG A 50 4.404 -11.112 1.611 1.00 0.00 N ATOM 799 CZ ARG A 50 3.359 -11.443 0.850 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.173 -10.894 1.066 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.507 -12.340 -0.119 1.00 0.00 N ATOM 0 H ARG A 50 2.171 -9.480 4.946 1.00 0.00 H new ATOM 0 HA ARG A 50 4.312 -8.259 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.981 -8.892 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.710 -10.019 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.800 -11.250 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.166 -11.329 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.347 -9.762 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.962 -9.242 2.376 1.00 0.00 H new ATOM 0 HE ARG A 50 5.287 -11.592 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.055 -10.214 1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.378 -11.151 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.417 -12.773 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.711 -12.596 -0.703 1.00 0.00 H new ATOM 815 N SER A 51 4.707 -6.751 4.224 1.00 0.00 N ATOM 816 CA SER A 51 4.525 -5.647 3.298 1.00 0.00 C ATOM 817 C SER A 51 5.090 -5.987 1.918 1.00 0.00 C ATOM 818 O SER A 51 6.010 -6.797 1.790 1.00 0.00 O ATOM 819 CB SER A 51 5.192 -4.388 3.854 1.00 0.00 C ATOM 820 OG SER A 51 4.618 -4.004 5.096 1.00 0.00 O ATOM 0 H SER A 51 5.633 -6.798 4.648 1.00 0.00 H new ATOM 0 HA SER A 51 3.456 -5.464 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.259 -4.567 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.090 -3.573 3.137 1.00 0.00 H new ATOM 0 HG SER A 51 4.556 -3.027 5.139 1.00 0.00 H new ATOM 826 N ILE A 52 4.509 -5.382 0.891 1.00 0.00 N ATOM 827 CA ILE A 52 4.976 -5.537 -0.481 1.00 0.00 C ATOM 828 C ILE A 52 5.272 -4.159 -1.062 1.00 0.00 C ATOM 829 O ILE A 52 4.566 -3.200 -0.761 1.00 0.00 O ATOM 830 CB ILE A 52 3.921 -6.245 -1.365 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.521 -7.595 -0.758 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.448 -6.440 -2.783 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.407 -8.290 -1.511 1.00 0.00 C ATOM 0 H ILE A 52 3.699 -4.769 0.985 1.00 0.00 H new ATOM 0 HA ILE A 52 5.875 -6.153 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 52 3.037 -5.609 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.394 -8.247 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.210 -7.442 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.691 -6.939 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.680 -5.470 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.350 -7.051 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.176 -9.238 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.519 -7.658 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.722 -8.475 -2.538 1.00 0.00 H new ATOM 845 N CYS A 53 6.288 -4.053 -1.906 1.00 0.00 N ATOM 846 CA CYS A 53 6.704 -2.753 -2.408 1.00 0.00 C ATOM 847 C CYS A 53 6.202 -2.516 -3.823 1.00 0.00 C ATOM 848 O CYS A 53 6.386 -3.348 -4.716 1.00 0.00 O ATOM 849 CB CYS A 53 8.224 -2.620 -2.378 1.00 0.00 C ATOM 850 SG CYS A 53 8.818 -1.042 -3.056 1.00 0.00 S ATOM 0 H CYS A 53 6.833 -4.842 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 53 6.265 -2.000 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.571 -2.720 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.665 -3.440 -2.944 1.00 0.00 H new ATOM 855 N ILE A 54 5.580 -1.367 -4.019 1.00 0.00 N ATOM 856 CA ILE A 54 5.008 -1.002 -5.296 1.00 0.00 C ATOM 857 C ILE A 54 5.632 0.296 -5.819 1.00 0.00 C ATOM 858 O ILE A 54 5.968 1.198 -5.046 1.00 0.00 O ATOM 859 CB ILE A 54 3.465 -0.870 -5.169 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.778 -2.117 -5.733 1.00 0.00 C ATOM 861 CG2 ILE A 54 2.940 0.391 -5.841 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.266 -2.076 -5.637 1.00 0.00 C ATOM 0 H ILE A 54 5.459 -0.661 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 54 5.228 -1.789 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 54 3.228 -0.786 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.064 -2.237 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.143 -2.995 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.857 0.440 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.394 1.267 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.192 0.370 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.850 -2.992 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.970 -1.988 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.889 -1.218 -6.194 1.00 0.00 H new ATOM 874 N HIS A 55 5.824 0.354 -7.134 1.00 0.00 N ATOM 875 CA HIS A 55 6.277 1.568 -7.809 1.00 0.00 C ATOM 876 C HIS A 55 5.309 2.710 -7.506 1.00 0.00 C ATOM 877 O HIS A 55 4.122 2.585 -7.776 1.00 0.00 O ATOM 878 CB HIS A 55 6.348 1.302 -9.319 1.00 0.00 C ATOM 879 CG HIS A 55 6.746 2.482 -10.157 1.00 0.00 C ATOM 880 ND1 HIS A 55 5.871 3.131 -10.997 1.00 0.00 N ATOM 881 CD2 HIS A 55 7.942 3.094 -10.319 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.508 4.086 -11.641 1.00 0.00 C ATOM 883 NE2 HIS A 55 7.768 4.087 -11.252 1.00 0.00 N ATOM 0 H HIS A 55 5.671 -0.436 -7.761 1.00 0.00 H new ATOM 0 HA HIS A 55 7.267 1.851 -7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.058 0.494 -9.497 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.373 0.949 -9.656 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.882 2.907 -11.104 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.862 2.848 -9.810 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.072 4.757 -12.367 1.00 0.00 H new ATOM 892 N PRO A 56 5.804 3.826 -6.938 1.00 0.00 N ATOM 893 CA PRO A 56 4.955 4.937 -6.476 1.00 0.00 C ATOM 894 C PRO A 56 3.850 5.312 -7.465 1.00 0.00 C ATOM 895 O PRO A 56 2.675 5.371 -7.100 1.00 0.00 O ATOM 896 CB PRO A 56 5.948 6.083 -6.311 1.00 0.00 C ATOM 897 CG PRO A 56 7.230 5.411 -5.961 1.00 0.00 C ATOM 898 CD PRO A 56 7.234 4.095 -6.694 1.00 0.00 C ATOM 0 HA PRO A 56 4.415 4.678 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.041 6.664 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.633 6.772 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.082 6.023 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.306 5.256 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.794 4.158 -7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.694 3.306 -6.098 1.00 0.00 H new ATOM 906 N GLN A 57 4.221 5.564 -8.711 1.00 0.00 N ATOM 907 CA GLN A 57 3.234 5.819 -9.748 1.00 0.00 C ATOM 908 C GLN A 57 2.771 4.506 -10.370 1.00 0.00 C ATOM 909 O GLN A 57 3.203 4.125 -11.460 1.00 0.00 O ATOM 910 CB GLN A 57 3.792 6.756 -10.819 1.00 0.00 C ATOM 911 CG GLN A 57 4.109 8.150 -10.300 1.00 0.00 C ATOM 912 CD GLN A 57 2.871 8.890 -9.827 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.221 9.589 -10.602 1.00 0.00 O ATOM 914 NE2 GLN A 57 2.531 8.740 -8.553 1.00 0.00 N ATOM 0 H GLN A 57 5.190 5.597 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 57 2.376 6.310 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.698 6.318 -11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.071 6.835 -11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.820 8.075 -9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.594 8.726 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.096 8.151 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.705 9.213 -8.186 1.00 0.00 H new ATOM 923 N ASN A 58 1.935 3.790 -9.636 1.00 0.00 N ATOM 924 CA ASN A 58 1.364 2.542 -10.109 1.00 0.00 C ATOM 925 C ASN A 58 -0.144 2.583 -9.941 1.00 0.00 C ATOM 926 O ASN A 58 -0.637 2.843 -8.840 1.00 0.00 O ATOM 927 CB ASN A 58 1.943 1.367 -9.316 1.00 0.00 C ATOM 928 CG ASN A 58 1.594 0.007 -9.895 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.537 -0.188 -10.491 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.490 -0.946 -9.724 1.00 0.00 N ATOM 0 H ASN A 58 1.635 4.057 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 58 1.609 2.410 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.028 1.467 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.580 1.419 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.316 -1.881 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.357 -0.748 -9.224 1.00 0.00 H new ATOM 937 N PRO A 59 -0.892 2.340 -11.028 1.00 0.00 N ATOM 938 CA PRO A 59 -2.357 2.294 -10.997 1.00 0.00 C ATOM 939 C PRO A 59 -2.896 1.424 -9.866 1.00 0.00 C ATOM 940 O PRO A 59 -3.906 1.757 -9.253 1.00 0.00 O ATOM 941 CB PRO A 59 -2.721 1.690 -12.352 1.00 0.00 C ATOM 942 CG PRO A 59 -1.600 2.080 -13.248 1.00 0.00 C ATOM 943 CD PRO A 59 -0.365 2.114 -12.388 1.00 0.00 C ATOM 0 HA PRO A 59 -2.787 3.280 -10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.820 0.606 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.673 2.077 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.487 1.365 -14.063 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.785 3.054 -13.701 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.193 1.180 -12.451 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.313 2.911 -12.692 1.00 0.00 H new ATOM 951 N SER A 60 -2.198 0.329 -9.570 1.00 0.00 N ATOM 952 CA SER A 60 -2.642 -0.613 -8.550 1.00 0.00 C ATOM 953 C SER A 60 -2.696 0.040 -7.174 1.00 0.00 C ATOM 954 O SER A 60 -3.547 -0.300 -6.358 1.00 0.00 O ATOM 955 CB SER A 60 -1.713 -1.821 -8.506 1.00 0.00 C ATOM 956 OG SER A 60 -1.446 -2.297 -9.813 1.00 0.00 O ATOM 0 H SER A 60 -1.321 0.074 -10.024 1.00 0.00 H new ATOM 0 HA SER A 60 -3.648 -0.936 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.779 -1.549 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.167 -2.613 -7.911 1.00 0.00 H new ATOM 0 HG SER A 60 -0.716 -1.776 -10.208 1.00 0.00 H new ATOM 962 N LEU A 61 -1.798 0.984 -6.923 1.00 0.00 N ATOM 963 CA LEU A 61 -1.747 1.654 -5.631 1.00 0.00 C ATOM 964 C LEU A 61 -2.872 2.691 -5.554 1.00 0.00 C ATOM 965 O LEU A 61 -3.614 2.745 -4.573 1.00 0.00 O ATOM 966 CB LEU A 61 -0.371 2.312 -5.431 1.00 0.00 C ATOM 967 CG LEU A 61 0.087 2.525 -3.976 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.860 3.435 -3.224 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.234 1.198 -3.245 1.00 0.00 C ATOM 0 H LEU A 61 -1.098 1.302 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.888 0.926 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.376 1.700 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.381 3.281 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 61 1.063 3.008 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.506 3.563 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.901 4.406 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.856 2.992 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.558 1.381 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.725 0.680 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.974 0.582 -3.755 1.00 0.00 H new ATOM 981 N SER A 62 -3.004 3.493 -6.604 1.00 0.00 N ATOM 982 CA SER A 62 -4.050 4.512 -6.671 1.00 0.00 C ATOM 983 C SER A 62 -5.439 3.866 -6.620 1.00 0.00 C ATOM 984 O SER A 62 -6.306 4.248 -5.810 1.00 0.00 O ATOM 985 CB SER A 62 -3.894 5.324 -7.960 1.00 0.00 C ATOM 986 OG SER A 62 -2.562 5.800 -8.103 1.00 0.00 O ATOM 0 H SER A 62 -2.399 3.459 -7.424 1.00 0.00 H new ATOM 0 HA SER A 62 -3.950 5.175 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.157 4.705 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.586 6.166 -7.950 1.00 0.00 H new ATOM 0 HG SER A 62 -2.486 6.314 -8.934 1.00 0.00 H new ATOM 992 N GLN A 63 -5.640 2.861 -7.466 1.00 0.00 N ATOM 993 CA GLN A 63 -6.903 2.152 -7.509 1.00 0.00 C ATOM 994 C GLN A 63 -7.143 1.448 -6.183 1.00 0.00 C ATOM 995 O GLN A 63 -8.283 1.230 -5.793 1.00 0.00 O ATOM 996 CB GLN A 63 -6.950 1.144 -8.667 1.00 0.00 C ATOM 997 CG GLN A 63 -6.185 -0.146 -8.406 1.00 0.00 C ATOM 998 CD GLN A 63 -6.136 -1.069 -9.611 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.185 -1.831 -9.783 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -7.155 -1.013 -10.453 1.00 0.00 N ATOM 0 H GLN A 63 -4.942 2.523 -8.129 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.694 2.882 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.991 0.899 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.546 1.617 -9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.167 0.098 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.649 -0.673 -7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.926 -0.369 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.169 -1.614 -11.277 1.00 0.00 H new ATOM 1009 N TRP A 64 -6.065 1.094 -5.487 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.194 0.438 -4.201 1.00 0.00 C ATOM 1011 C TRP A 64 -6.857 1.362 -3.193 1.00 0.00 C ATOM 1012 O TRP A 64 -7.652 0.913 -2.386 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.848 -0.066 -3.669 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.971 -0.765 -2.347 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.204 -0.564 -1.237 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.943 -1.759 -1.989 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.633 -1.374 -0.214 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.701 -2.113 -0.650 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.999 -2.383 -2.668 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.470 -3.057 0.016 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.759 -3.318 -2.002 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.493 -3.645 -0.673 1.00 0.00 C ATOM 0 H TRP A 64 -5.105 1.251 -5.793 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.828 -0.436 -4.348 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.407 -0.748 -4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.164 0.777 -3.567 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.380 0.131 -1.172 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.223 -1.418 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.213 -2.134 -3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.267 -3.318 1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.574 -3.806 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.110 -4.380 -0.177 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.560 2.653 -3.253 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.237 3.610 -2.383 1.00 0.00 C ATOM 1035 C PHE A 65 -8.747 3.522 -2.587 1.00 0.00 C ATOM 1036 O PHE A 65 -9.519 3.552 -1.626 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.766 5.039 -2.652 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.335 5.289 -2.273 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.894 5.042 -0.983 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.435 5.776 -3.203 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.580 5.273 -0.633 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.120 6.011 -2.857 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.693 5.761 -1.569 1.00 0.00 C ATOM 0 H PHE A 65 -5.868 3.059 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.989 3.358 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.895 5.260 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.404 5.731 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.586 4.665 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.765 5.975 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.246 5.072 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.426 6.390 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.665 5.947 -1.294 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.152 3.398 -3.844 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.566 3.247 -4.187 1.00 0.00 C ATOM 1055 C GLU A 66 -11.089 1.863 -3.783 1.00 0.00 C ATOM 1056 O GLU A 66 -12.143 1.724 -3.147 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.753 3.447 -5.695 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.471 4.864 -6.164 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.631 5.797 -5.898 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.852 6.165 -4.727 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -12.345 6.147 -6.861 1.00 0.00 O ATOM 0 H GLU A 66 -8.523 3.399 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.133 4.000 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.095 2.760 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.776 3.182 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.581 5.241 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.253 4.854 -7.232 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.333 0.839 -4.143 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.764 -0.540 -3.956 1.00 0.00 C ATOM 1070 C HIS A 67 -10.737 -0.934 -2.484 1.00 0.00 C ATOM 1071 O HIS A 67 -11.529 -1.763 -2.059 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.904 -1.502 -4.789 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.121 -1.391 -6.275 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.998 -2.458 -7.139 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.435 -0.324 -7.050 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.221 -2.050 -8.375 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.488 -0.759 -8.349 1.00 0.00 N ATOM 0 H HIS A 67 -9.411 0.936 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.794 -0.613 -4.304 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.853 -1.314 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.116 -2.525 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.611 0.685 -6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.190 -2.670 -9.259 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -10.699 -0.180 -9.161 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.825 -0.340 -1.716 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.765 -0.554 -0.270 1.00 0.00 C ATOM 1088 C GLN A 68 -10.986 0.066 0.383 1.00 0.00 C ATOM 1089 O GLN A 68 -11.548 -0.492 1.325 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.469 0.047 0.311 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.301 -0.101 1.826 1.00 0.00 C ATOM 1092 CD GLN A 68 -9.150 0.852 2.663 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -9.619 0.486 3.743 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -9.319 2.086 2.204 1.00 0.00 N ATOM 0 H GLN A 68 -9.113 0.297 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.759 -1.624 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.618 -0.424 -0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.435 1.107 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.548 -1.125 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.252 0.054 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.917 2.356 1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.851 2.765 2.749 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.395 1.216 -0.141 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.574 1.910 0.353 1.00 0.00 C ATOM 1105 C GLU A 69 -13.769 0.960 0.380 1.00 0.00 C ATOM 1106 O GLU A 69 -14.607 1.025 1.279 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.868 3.129 -0.528 1.00 0.00 C ATOM 1108 CG GLU A 69 -14.050 3.972 -0.072 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.804 4.679 1.245 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.942 5.583 1.288 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.478 4.350 2.243 1.00 0.00 O ATOM 0 H GLU A 69 -10.923 1.688 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.388 2.255 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.980 3.760 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.054 2.788 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.277 4.713 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.928 3.334 0.024 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.839 0.062 -0.599 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.900 -0.937 -0.614 1.00 0.00 C ATOM 1120 C ARG A 70 -14.350 -2.359 -0.428 1.00 0.00 C ATOM 1121 O ARG A 70 -14.913 -3.325 -0.943 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.732 -0.821 -1.895 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.995 -1.152 -3.183 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.869 -0.833 -4.383 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.324 -1.349 -5.639 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.004 -0.579 -6.678 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -14.984 0.744 -6.547 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -14.671 -1.135 -7.838 1.00 0.00 N ATOM 0 H ARG A 70 -13.185 0.006 -1.380 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.554 -0.739 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.594 -1.482 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.117 0.196 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.068 -0.582 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.721 -2.207 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.862 -1.253 -4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.989 0.248 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.181 -2.355 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.214 1.171 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.739 1.332 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.661 -2.151 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.426 -0.546 -8.634 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.265 -2.485 0.330 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.707 -3.792 0.676 1.00 0.00 C ATOM 1144 C LYS A 71 -12.185 -3.735 2.113 1.00 0.00 C ATOM 1145 O LYS A 71 -12.470 -2.761 2.814 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.598 -4.193 -0.308 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.464 -5.700 -0.502 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.496 -6.046 -1.619 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.023 -5.607 -2.974 1.00 0.00 C ATOM 1150 NZ LYS A 71 -10.169 -6.102 -4.081 1.00 0.00 N ATOM 0 H LYS A 71 -12.751 -1.695 0.719 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.483 -4.554 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.796 -3.728 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.648 -3.796 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.123 -6.156 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.442 -6.125 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.535 -5.567 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.320 -7.122 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.040 -5.976 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.072 -4.519 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.709 -6.088 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.333 -5.491 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.865 -7.075 -3.876 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.413 -4.746 2.549 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.005 -4.864 3.953 1.00 0.00 C ATOM 1166 C LEU A 72 -12.210 -4.807 4.885 1.00 0.00 C ATOM 1167 O LEU A 72 -12.827 -5.825 5.195 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.012 -3.760 4.337 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.552 -4.020 3.979 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.397 -4.336 2.500 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.712 -2.814 4.353 1.00 0.00 C ATOM 0 H LEU A 72 -11.061 -5.491 1.947 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.518 -5.833 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.324 -2.834 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.078 -3.597 5.413 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.207 -4.888 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.346 -4.517 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.979 -5.225 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.755 -3.493 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.670 -3.003 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.068 -1.940 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.794 -2.631 5.424 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.524 -3.599 5.323 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.673 -3.341 6.166 1.00 0.00 C ATOM 1185 C HIS A 73 -14.016 -1.858 6.071 1.00 0.00 C ATOM 1186 O HIS A 73 -14.844 -1.344 6.821 1.00 0.00 O ATOM 1187 CB HIS A 73 -13.352 -3.714 7.618 1.00 0.00 C ATOM 1188 CG HIS A 73 -14.565 -3.907 8.479 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -15.095 -2.910 9.273 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -15.348 -4.993 8.674 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -16.150 -3.376 9.916 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -16.325 -4.637 9.571 1.00 0.00 N ATOM 0 H HIS A 73 -11.982 -2.764 5.100 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.521 -3.941 5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.764 -4.632 7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.730 -2.933 8.054 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.227 -5.961 8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.765 -2.819 10.607 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -17.066 -5.248 9.915 1.00 0.00 H new ATOM 1201 N GLY A 74 -13.393 -1.183 5.111 1.00 0.00 N ATOM 1202 CA GLY A 74 -13.426 0.263 5.093 1.00 0.00 C ATOM 1203 C GLY A 74 -12.647 0.820 6.264 1.00 0.00 C ATOM 1204 O GLY A 74 -13.213 1.439 7.165 1.00 0.00 O ATOM 0 H GLY A 74 -12.868 -1.612 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.004 0.632 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.458 0.611 5.136 1.00 0.00 H new ATOM 1208 N THR A 75 -11.345 0.570 6.263 1.00 0.00 N ATOM 1209 CA THR A 75 -10.490 0.930 7.382 1.00 0.00 C ATOM 1210 C THR A 75 -9.173 1.519 6.895 1.00 0.00 C ATOM 1211 O THR A 75 -8.310 0.796 6.396 1.00 0.00 O ATOM 1212 CB THR A 75 -10.195 -0.299 8.270 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.893 -1.436 7.446 1.00 0.00 O ATOM 1214 CG2 THR A 75 -11.369 -0.622 9.179 1.00 0.00 C ATOM 0 H THR A 75 -10.856 0.115 5.492 1.00 0.00 H new ATOM 0 HA THR A 75 -11.023 1.678 7.969 1.00 0.00 H new ATOM 0 HB THR A 75 -9.336 -0.061 8.898 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.224 -1.185 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.128 -1.492 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.573 0.231 9.826 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.250 -0.837 8.574 1.00 0.00 H new ATOM 1222 N LEU A 76 -9.020 2.826 7.047 1.00 0.00 N ATOM 1223 CA LEU A 76 -7.829 3.509 6.586 1.00 0.00 C ATOM 1224 C LEU A 76 -7.509 4.678 7.509 1.00 0.00 C ATOM 1225 O LEU A 76 -8.404 5.402 7.950 1.00 0.00 O ATOM 1226 CB LEU A 76 -8.023 4.002 5.151 1.00 0.00 C ATOM 1227 CG LEU A 76 -6.774 4.519 4.442 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -5.857 3.361 4.071 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -7.158 5.320 3.206 1.00 0.00 C ATOM 0 H LEU A 76 -9.711 3.433 7.488 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.993 2.810 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.438 3.185 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.767 4.799 5.160 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.235 5.178 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.971 3.746 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.558 2.830 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.385 2.677 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.256 5.681 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.718 4.684 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.776 6.169 3.500 1.00 0.00 H new ATOM 1241 N PRO A 77 -6.227 4.847 7.818 1.00 0.00 N ATOM 1242 CA PRO A 77 -5.738 5.924 8.678 1.00 0.00 C ATOM 1243 C PRO A 77 -5.681 7.268 7.948 1.00 0.00 C ATOM 1244 O PRO A 77 -5.698 7.323 6.715 1.00 0.00 O ATOM 1245 CB PRO A 77 -4.337 5.437 9.043 1.00 0.00 C ATOM 1246 CG PRO A 77 -3.900 4.661 7.851 1.00 0.00 C ATOM 1247 CD PRO A 77 -5.142 3.988 7.335 1.00 0.00 C ATOM 0 HA PRO A 77 -6.383 6.108 9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.665 6.271 9.244 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.352 4.817 9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.464 5.314 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.138 3.929 8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.139 3.920 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.235 2.972 7.717 1.00 0.00 H new ATOM 1255 N LYS A 78 -5.599 8.348 8.712 1.00 0.00 N ATOM 1256 CA LYS A 78 -5.624 9.689 8.144 1.00 0.00 C ATOM 1257 C LYS A 78 -4.234 10.124 7.696 1.00 0.00 C ATOM 1258 O LYS A 78 -3.638 11.028 8.284 1.00 0.00 O ATOM 1259 CB LYS A 78 -6.162 10.699 9.156 1.00 0.00 C ATOM 1260 CG LYS A 78 -7.542 10.380 9.698 1.00 0.00 C ATOM 1261 CD LYS A 78 -8.039 11.513 10.578 1.00 0.00 C ATOM 1262 CE LYS A 78 -8.260 12.778 9.765 1.00 0.00 C ATOM 1263 NZ LYS A 78 -8.285 13.997 10.613 1.00 0.00 N ATOM 0 H LYS A 78 -5.514 8.322 9.728 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.284 9.659 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.464 10.763 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.189 11.683 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.236 10.221 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.510 9.453 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.971 11.220 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.316 11.707 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.469 12.872 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.201 12.698 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.438 14.833 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.056 13.922 11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.378 14.091 11.113 1.00 0.00 H new ATOM 1277 N LEU A 79 -3.711 9.469 6.669 1.00 0.00 N ATOM 1278 CA LEU A 79 -2.424 9.842 6.099 1.00 0.00 C ATOM 1279 C LEU A 79 -2.618 10.849 4.980 1.00 0.00 C ATOM 1280 O LEU A 79 -1.741 11.041 4.139 1.00 0.00 O ATOM 1281 CB LEU A 79 -1.720 8.604 5.550 1.00 0.00 C ATOM 1282 CG LEU A 79 -1.093 7.643 6.568 1.00 0.00 C ATOM 1283 CD1 LEU A 79 0.291 8.110 6.968 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -1.958 7.480 7.802 1.00 0.00 C ATOM 0 H LEU A 79 -4.159 8.675 6.213 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.813 10.290 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.440 8.042 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.935 8.936 4.871 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.016 6.671 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.716 7.413 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.930 8.152 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.225 9.101 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.476 6.791 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.090 8.448 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.931 7.083 7.514 1.00 0.00 H new ATOM 1296 N ASN A 80 -3.776 11.493 5.001 1.00 0.00 N ATOM 1297 CA ASN A 80 -4.184 12.424 3.948 1.00 0.00 C ATOM 1298 C ASN A 80 -4.190 11.725 2.595 1.00 0.00 C ATOM 1299 O ASN A 80 -3.902 12.329 1.566 1.00 0.00 O ATOM 1300 CB ASN A 80 -3.264 13.649 3.908 1.00 0.00 C ATOM 1301 CG ASN A 80 -3.264 14.420 5.213 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -4.119 15.276 5.442 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -2.302 14.134 6.076 1.00 0.00 N ATOM 0 H ASN A 80 -4.463 11.388 5.748 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.194 12.765 4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.248 13.328 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.579 14.309 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.252 14.629 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.611 13.418 5.851 1.00 0.00 H new ATOM 1310 N PHE A 81 -4.563 10.449 2.607 1.00 0.00 N ATOM 1311 CA PHE A 81 -4.547 9.622 1.404 1.00 0.00 C ATOM 1312 C PHE A 81 -5.554 10.100 0.358 1.00 0.00 C ATOM 1313 O PHE A 81 -5.520 9.661 -0.788 1.00 0.00 O ATOM 1314 CB PHE A 81 -4.820 8.159 1.758 1.00 0.00 C ATOM 1315 CG PHE A 81 -3.613 7.414 2.255 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -2.395 7.527 1.603 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -3.699 6.592 3.368 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -1.286 6.838 2.050 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -2.593 5.898 3.819 1.00 0.00 C ATOM 1320 CZ PHE A 81 -1.385 6.020 3.158 1.00 0.00 C ATOM 0 H PHE A 81 -4.883 9.961 3.444 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.552 9.713 0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.598 8.120 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.211 7.650 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.313 8.163 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.640 6.493 3.888 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.342 6.938 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.672 5.261 4.687 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.520 5.476 3.508 1.00 0.00 H new ATOM 1330 N GLY A 82 -6.439 11.009 0.748 1.00 0.00 N ATOM 1331 CA GLY A 82 -7.401 11.555 -0.190 1.00 0.00 C ATOM 1332 C GLY A 82 -6.771 12.551 -1.149 1.00 0.00 C ATOM 1333 O GLY A 82 -7.431 13.049 -2.058 1.00 0.00 O ATOM 0 H GLY A 82 -6.508 11.378 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.852 10.742 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.205 12.043 0.361 1.00 0.00 H new ATOM 1337 N MET A 83 -5.479 12.809 -0.954 1.00 0.00 N ATOM 1338 CA MET A 83 -4.731 13.779 -1.757 1.00 0.00 C ATOM 1339 C MET A 83 -4.620 13.370 -3.225 1.00 0.00 C ATOM 1340 O MET A 83 -4.167 14.156 -4.058 1.00 0.00 O ATOM 1341 CB MET A 83 -3.324 13.959 -1.178 1.00 0.00 C ATOM 1342 CG MET A 83 -2.510 12.673 -1.157 1.00 0.00 C ATOM 1343 SD MET A 83 -0.880 12.879 -0.408 1.00 0.00 S ATOM 1344 CE MET A 83 -0.319 11.175 -0.375 1.00 0.00 C ATOM 0 H MET A 83 -4.919 12.352 -0.234 1.00 0.00 H new ATOM 0 HA MET A 83 -5.285 14.717 -1.717 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.791 14.708 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.404 14.346 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.062 11.910 -0.608 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.391 12.309 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.679 11.129 0.062 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.006 10.577 0.225 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.289 10.782 -1.391 1.00 0.00 H new ATOM 1354 N LEU A 84 -5.010 12.144 -3.546 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.920 11.676 -4.926 1.00 0.00 C ATOM 1356 C LEU A 84 -6.006 10.658 -5.264 1.00 0.00 C ATOM 1357 O LEU A 84 -5.995 10.076 -6.348 1.00 0.00 O ATOM 1358 CB LEU A 84 -3.535 11.089 -5.233 1.00 0.00 C ATOM 1359 CG LEU A 84 -3.298 9.653 -4.769 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -1.900 9.203 -5.148 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -3.514 9.542 -3.276 1.00 0.00 C ATOM 0 H LEU A 84 -5.386 11.465 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.075 12.552 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.374 11.133 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.781 11.728 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.014 8.999 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.744 8.178 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.783 9.251 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.167 9.856 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.342 8.513 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.819 10.203 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.537 9.830 -3.034 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.963 10.463 -4.364 1.00 0.00 N ATOM 1374 CA ARG A 85 -8.017 9.485 -4.610 1.00 0.00 C ATOM 1375 C ARG A 85 -8.956 9.991 -5.686 1.00 0.00 C ATOM 1376 O ARG A 85 -9.561 11.050 -5.534 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.800 9.155 -3.338 1.00 0.00 C ATOM 1378 CG ARG A 85 -7.956 8.497 -2.262 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.813 7.816 -1.210 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.758 8.730 -0.574 1.00 0.00 N ATOM 1381 CZ ARG A 85 -10.731 8.333 0.241 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.888 7.039 0.503 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -11.546 9.227 0.783 1.00 0.00 N ATOM 0 H ARG A 85 -7.032 10.958 -3.475 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.540 8.565 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.233 10.072 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.630 8.495 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.291 7.764 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.324 9.247 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.362 6.995 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.167 7.380 -0.448 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.667 9.728 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.263 6.353 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.633 6.732 1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.427 10.218 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.293 8.924 1.408 1.00 0.00 H new ATOM 1397 N LYS A 86 -9.023 9.248 -6.794 1.00 0.00 N ATOM 1398 CA LYS A 86 -9.844 9.614 -7.955 1.00 0.00 C ATOM 1399 C LYS A 86 -9.238 10.835 -8.658 1.00 0.00 C ATOM 1400 O LYS A 86 -9.761 11.336 -9.655 1.00 0.00 O ATOM 1401 CB LYS A 86 -11.303 9.879 -7.535 1.00 0.00 C ATOM 1402 CG LYS A 86 -12.264 10.056 -8.704 1.00 0.00 C ATOM 1403 CD LYS A 86 -12.311 8.812 -9.578 1.00 0.00 C ATOM 1404 CE LYS A 86 -13.139 9.036 -10.831 1.00 0.00 C ATOM 1405 NZ LYS A 86 -14.575 9.268 -10.526 1.00 0.00 N ATOM 0 H LYS A 86 -8.510 8.375 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.853 8.780 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.648 9.050 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.334 10.774 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.263 10.275 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.956 10.912 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.297 8.526 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.730 7.983 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.743 9.892 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.045 8.170 -11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.104 9.382 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.954 8.455 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.673 10.129 -9.952 1.00 0.00 H new ATOM 1419 N MET A 87 -8.106 11.282 -8.136 1.00 0.00 N ATOM 1420 CA MET A 87 -7.403 12.443 -8.658 1.00 0.00 C ATOM 1421 C MET A 87 -6.159 11.994 -9.420 1.00 0.00 C ATOM 1422 O MET A 87 -5.553 12.763 -10.170 1.00 0.00 O ATOM 1423 CB MET A 87 -7.020 13.363 -7.492 1.00 0.00 C ATOM 1424 CG MET A 87 -6.341 14.659 -7.908 1.00 0.00 C ATOM 1425 SD MET A 87 -5.929 15.712 -6.500 1.00 0.00 S ATOM 1426 CE MET A 87 -7.547 15.937 -5.765 1.00 0.00 C ATOM 0 H MET A 87 -7.648 10.848 -7.335 1.00 0.00 H new ATOM 0 HA MET A 87 -8.048 12.990 -9.346 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.919 13.604 -6.926 1.00 0.00 H new ATOM 0 HB3 MET A 87 -6.356 12.819 -6.820 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.431 14.426 -8.461 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.996 15.206 -8.586 1.00 0.00 H new ATOM 0 HE1 MET A 87 -7.608 16.928 -5.316 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.313 15.840 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.706 15.180 -4.997 1.00 0.00 H new ATOM 1436 N GLY A 88 -5.795 10.735 -9.219 1.00 0.00 N ATOM 1437 CA GLY A 88 -4.653 10.161 -9.888 1.00 0.00 C ATOM 1438 C GLY A 88 -4.867 8.688 -10.151 1.00 0.00 C ATOM 1439 O GLY A 88 -4.270 8.152 -11.106 1.00 0.00 O ATOM 1440 OXT GLY A 88 -5.659 8.066 -9.412 1.00 0.00 O ATOM 0 H GLY A 88 -6.282 10.094 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.479 10.681 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.761 10.300 -9.277 1.00 0.00 H new TER 1444 GLY A 88