USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 452 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 37 THR OG1 : rot 180:sc= -0.425 USER MOD Set 1.2: A 39 ASN : amide:sc= 0 X(o=-0.42,f=-0.034) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 62:sc= 0.923 USER MOD Single : A 13 MET CE :methyl 147:sc= -0.759 (180deg=-1.59!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc=-0.000793 (180deg=-0.0668) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 34 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-0.86) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.99 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -67:sc= 1.16 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.17) USER MOD Single : A 50 SER OG : rot -65:sc= -0.623 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.023) USER MOD Single : A 59 MET CE :methyl -158:sc= -2.74 (180deg=-4.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.598 F(o=-2.1,f=-0.6) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 115:sc= 1.03 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.8!) USER MOD Single : A 97 TYR OH : rot -56:sc= 0.324 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 6 10.791 -9.374 0.817 1.00 0.00 N ATOM 12 CA LEU A 6 9.985 -8.168 0.962 1.00 0.00 C ATOM 13 C LEU A 6 10.340 -7.147 -0.113 1.00 0.00 C ATOM 14 O LEU A 6 9.473 -6.437 -0.621 1.00 0.00 O ATOM 15 CB LEU A 6 10.183 -7.556 2.350 1.00 0.00 C ATOM 16 CG LEU A 6 8.958 -7.618 3.264 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.346 -7.302 4.701 1.00 0.00 C ATOM 18 CD2 LEU A 6 7.882 -6.659 2.778 1.00 0.00 C ATOM 0 HA LEU A 6 8.938 -8.446 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.011 -8.067 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.477 -6.513 2.232 1.00 0.00 H new ATOM 0 HG LEU A 6 8.556 -8.631 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.461 -7.351 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.082 -8.028 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.773 -6.300 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.018 -6.716 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.274 -5.642 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.582 -6.931 1.766 1.00 0.00 H new ATOM 28 N GLY A 7 11.624 -7.081 -0.457 1.00 0.00 N ATOM 29 CA GLY A 7 12.074 -6.144 -1.470 1.00 0.00 C ATOM 30 C GLY A 7 11.582 -6.510 -2.855 1.00 0.00 C ATOM 31 O GLY A 7 10.994 -5.680 -3.549 1.00 0.00 O ATOM 0 H GLY A 7 12.360 -7.660 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.725 -5.143 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.163 -6.110 -1.472 1.00 0.00 H new ATOM 35 N ALA A 8 11.820 -7.756 -3.257 1.00 0.00 N ATOM 36 CA ALA A 8 11.391 -8.230 -4.569 1.00 0.00 C ATOM 37 C ALA A 8 9.887 -8.066 -4.734 1.00 0.00 C ATOM 38 O ALA A 8 9.413 -7.616 -5.778 1.00 0.00 O ATOM 39 CB ALA A 8 11.794 -9.684 -4.764 1.00 0.00 C ATOM 0 H ALA A 8 12.306 -8.454 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 8 11.885 -7.628 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.467 -10.023 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.878 -9.774 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.326 -10.298 -3.994 1.00 0.00 H new ATOM 45 N LEU A 9 9.140 -8.419 -3.691 1.00 0.00 N ATOM 46 CA LEU A 9 7.688 -8.297 -3.716 1.00 0.00 C ATOM 47 C LEU A 9 7.292 -6.843 -3.933 1.00 0.00 C ATOM 48 O LEU A 9 6.344 -6.547 -4.659 1.00 0.00 O ATOM 49 CB LEU A 9 7.080 -8.817 -2.415 1.00 0.00 C ATOM 50 CG LEU A 9 5.554 -8.890 -2.400 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.085 -10.313 -2.657 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.011 -8.375 -1.079 1.00 0.00 C ATOM 0 H LEU A 9 9.517 -8.791 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 9 7.305 -8.899 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.478 -9.812 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.406 -8.175 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 9 5.170 -8.256 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.996 -10.345 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.445 -10.644 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.478 -10.971 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.923 -8.434 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.403 -8.982 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.317 -7.338 -0.939 1.00 0.00 H new ATOM 62 N TYR A 10 8.042 -5.939 -3.307 1.00 0.00 N ATOM 63 CA TYR A 10 7.785 -4.513 -3.443 1.00 0.00 C ATOM 64 C TYR A 10 7.988 -4.088 -4.892 1.00 0.00 C ATOM 65 O TYR A 10 7.172 -3.362 -5.464 1.00 0.00 O ATOM 66 CB TYR A 10 8.718 -3.722 -2.519 1.00 0.00 C ATOM 67 CG TYR A 10 8.698 -2.230 -2.759 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.753 -1.422 -2.141 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.622 -1.630 -3.605 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.731 -0.057 -2.358 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.608 -0.268 -3.828 1.00 0.00 C ATOM 72 CZ TYR A 10 8.660 0.516 -3.203 1.00 0.00 C ATOM 73 OH TYR A 10 8.642 1.874 -3.419 1.00 0.00 O ATOM 0 H TYR A 10 8.830 -6.171 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 10 6.754 -4.305 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.439 -3.917 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.737 -4.087 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.024 -1.867 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.365 -2.240 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.990 0.558 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.335 0.182 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 10 9.362 2.116 -4.038 1.00 0.00 H new ATOM 81 N LEU A 11 9.084 -4.560 -5.479 1.00 0.00 N ATOM 82 CA LEU A 11 9.407 -4.251 -6.863 1.00 0.00 C ATOM 83 C LEU A 11 8.350 -4.830 -7.797 1.00 0.00 C ATOM 84 O LEU A 11 8.134 -4.324 -8.898 1.00 0.00 O ATOM 85 CB LEU A 11 10.789 -4.804 -7.213 1.00 0.00 C ATOM 86 CG LEU A 11 11.926 -3.782 -7.167 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.145 -4.372 -6.474 1.00 0.00 C ATOM 88 CD2 LEU A 11 12.283 -3.316 -8.571 1.00 0.00 C ATOM 0 H LEU A 11 9.764 -5.160 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 11 9.420 -3.168 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.023 -5.617 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.748 -5.235 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 11 11.589 -2.918 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.944 -3.631 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.882 -4.655 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.483 -5.253 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.094 -2.589 -8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.600 -4.171 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.411 -2.854 -9.034 1.00 0.00 H new ATOM 98 N SER A 12 7.684 -5.888 -7.340 1.00 0.00 N ATOM 99 CA SER A 12 6.638 -6.530 -8.124 1.00 0.00 C ATOM 100 C SER A 12 5.416 -5.626 -8.206 1.00 0.00 C ATOM 101 O SER A 12 4.771 -5.529 -9.249 1.00 0.00 O ATOM 102 CB SER A 12 6.254 -7.875 -7.507 1.00 0.00 C ATOM 103 OG SER A 12 7.377 -8.735 -7.421 1.00 0.00 O ATOM 0 H SER A 12 7.852 -6.317 -6.430 1.00 0.00 H new ATOM 0 HA SER A 12 7.018 -6.706 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.836 -7.717 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.476 -8.346 -8.108 1.00 0.00 H new ATOM 0 HG SER A 12 8.054 -8.331 -6.839 1.00 0.00 H new ATOM 107 N MET A 13 5.112 -4.953 -7.100 1.00 0.00 N ATOM 108 CA MET A 13 3.977 -4.039 -7.053 1.00 0.00 C ATOM 109 C MET A 13 4.250 -2.823 -7.928 1.00 0.00 C ATOM 110 O MET A 13 3.331 -2.231 -8.494 1.00 0.00 O ATOM 111 CB MET A 13 3.703 -3.594 -5.616 1.00 0.00 C ATOM 112 CG MET A 13 3.871 -4.701 -4.588 1.00 0.00 C ATOM 113 SD MET A 13 4.195 -4.065 -2.932 1.00 0.00 S ATOM 114 CE MET A 13 2.535 -3.656 -2.400 1.00 0.00 C ATOM 0 H MET A 13 5.635 -5.023 -6.227 1.00 0.00 H new ATOM 0 HA MET A 13 3.098 -4.562 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.375 -2.773 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.687 -3.204 -5.554 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.970 -5.313 -4.568 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.692 -5.351 -4.891 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.447 -3.816 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.327 -2.611 -2.629 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.819 -4.291 -2.921 1.00 0.00 H new ATOM 120 N LYS A 14 5.525 -2.462 -8.033 1.00 0.00 N ATOM 121 CA LYS A 14 5.939 -1.318 -8.839 1.00 0.00 C ATOM 122 C LYS A 14 5.714 -1.585 -10.325 1.00 0.00 C ATOM 123 O LYS A 14 5.792 -0.671 -11.147 1.00 0.00 O ATOM 124 CB LYS A 14 7.415 -1.004 -8.590 1.00 0.00 C ATOM 125 CG LYS A 14 7.652 -0.081 -7.403 1.00 0.00 C ATOM 126 CD LYS A 14 8.524 1.106 -7.785 1.00 0.00 C ATOM 127 CE LYS A 14 9.961 0.684 -8.045 1.00 0.00 C ATOM 128 NZ LYS A 14 10.854 1.856 -8.252 1.00 0.00 N ATOM 0 H LYS A 14 6.292 -2.947 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 14 5.332 -0.462 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.953 -1.938 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.836 -0.546 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.695 0.277 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.128 -0.639 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.118 1.585 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.501 1.847 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.324 0.095 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.997 0.040 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.825 1.526 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.522 2.405 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.840 2.457 -7.404 1.00 0.00 H new ATOM 134 N ASP A 15 5.439 -2.843 -10.665 1.00 0.00 N ATOM 135 CA ASP A 15 5.208 -3.226 -12.053 1.00 0.00 C ATOM 136 C ASP A 15 3.972 -2.530 -12.615 1.00 0.00 C ATOM 137 O ASP A 15 3.335 -1.726 -11.934 1.00 0.00 O ATOM 138 CB ASP A 15 5.058 -4.746 -12.169 1.00 0.00 C ATOM 139 CG ASP A 15 5.260 -5.248 -13.585 1.00 0.00 C ATOM 140 OD1 ASP A 15 6.427 -5.337 -14.022 1.00 0.00 O ATOM 141 OD2 ASP A 15 4.252 -5.556 -14.256 1.00 0.00 O ATOM 0 H ASP A 15 5.371 -3.612 -9.998 1.00 0.00 H new ATOM 0 HA ASP A 15 6.072 -2.911 -12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.779 -5.229 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.066 -5.036 -11.823 1.00 0.00 H new ATOM 144 N THR A 16 3.649 -2.835 -13.866 1.00 0.00 N ATOM 145 CA THR A 16 2.499 -2.233 -14.528 1.00 0.00 C ATOM 146 C THR A 16 1.207 -2.984 -14.218 1.00 0.00 C ATOM 147 O THR A 16 0.441 -2.581 -13.340 1.00 0.00 O ATOM 148 CB THR A 16 2.699 -2.185 -16.055 1.00 0.00 C ATOM 149 OG1 THR A 16 3.513 -3.286 -16.477 1.00 0.00 O ATOM 150 CG2 THR A 16 3.351 -0.876 -16.475 1.00 0.00 C ATOM 0 H THR A 16 4.168 -3.497 -14.443 1.00 0.00 H new ATOM 0 HA THR A 16 2.415 -1.218 -14.140 1.00 0.00 H new ATOM 0 HB THR A 16 1.720 -2.254 -16.530 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.634 -3.250 -17.449 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.482 -0.865 -17.557 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.716 -0.041 -16.178 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.323 -0.782 -15.991 1.00 0.00 H new ATOM 158 N GLU A 17 0.962 -4.068 -14.950 1.00 0.00 N ATOM 159 CA GLU A 17 -0.246 -4.865 -14.759 1.00 0.00 C ATOM 160 C GLU A 17 -0.032 -5.963 -13.722 1.00 0.00 C ATOM 161 O GLU A 17 -0.957 -6.335 -13.000 1.00 0.00 O ATOM 162 CB GLU A 17 -0.684 -5.485 -16.087 1.00 0.00 C ATOM 163 CG GLU A 17 -2.113 -5.998 -16.076 1.00 0.00 C ATOM 164 CD GLU A 17 -2.372 -7.031 -17.155 1.00 0.00 C ATOM 165 OE1 GLU A 17 -2.079 -6.742 -18.336 1.00 0.00 O ATOM 166 OE2 GLU A 17 -2.866 -8.129 -16.822 1.00 0.00 O ATOM 0 H GLU A 17 1.584 -4.414 -15.681 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.028 -4.200 -14.393 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.580 -4.742 -16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.013 -6.308 -16.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.331 -6.434 -15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.797 -5.160 -16.210 1.00 0.00 H new ATOM 169 N LYS A 18 1.190 -6.484 -13.657 1.00 0.00 N ATOM 170 CA LYS A 18 1.517 -7.548 -12.712 1.00 0.00 C ATOM 171 C LYS A 18 1.430 -7.054 -11.271 1.00 0.00 C ATOM 172 O LYS A 18 1.044 -7.802 -10.372 1.00 0.00 O ATOM 173 CB LYS A 18 2.921 -8.089 -12.991 1.00 0.00 C ATOM 174 CG LYS A 18 2.956 -9.155 -14.073 1.00 0.00 C ATOM 175 CD LYS A 18 2.906 -10.553 -13.477 1.00 0.00 C ATOM 176 CE LYS A 18 1.480 -11.066 -13.380 1.00 0.00 C ATOM 177 NZ LYS A 18 0.935 -11.452 -14.710 1.00 0.00 N ATOM 0 H LYS A 18 1.969 -6.188 -14.246 1.00 0.00 H new ATOM 0 HA LYS A 18 0.788 -8.348 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.568 -7.263 -13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.332 -8.504 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.113 -9.016 -14.750 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.863 -9.043 -14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.497 -11.233 -14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.359 -10.543 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.449 -11.927 -12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.847 -10.296 -12.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.067 -12.010 -14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.718 -10.595 -15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.639 -12.021 -15.222 1.00 0.00 H new ATOM 183 N GLY A 19 1.796 -5.794 -11.055 1.00 0.00 N ATOM 184 CA GLY A 19 1.759 -5.228 -9.720 1.00 0.00 C ATOM 185 C GLY A 19 0.431 -4.572 -9.395 1.00 0.00 C ATOM 186 O GLY A 19 -0.584 -4.850 -10.033 1.00 0.00 O ATOM 0 H GLY A 19 2.118 -5.155 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.958 -6.014 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.556 -4.492 -9.621 1.00 0.00 H new ATOM 190 N ILE A 20 0.446 -3.697 -8.394 1.00 0.00 N ATOM 191 CA ILE A 20 -0.756 -2.988 -7.966 1.00 0.00 C ATOM 192 C ILE A 20 -1.257 -2.035 -9.051 1.00 0.00 C ATOM 193 O ILE A 20 -0.689 -1.964 -10.140 1.00 0.00 O ATOM 194 CB ILE A 20 -0.497 -2.180 -6.680 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.589 -1.133 -6.924 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.103 -3.099 -5.535 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.125 0.280 -6.662 1.00 0.00 C ATOM 0 H ILE A 20 1.283 -3.461 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.516 -3.746 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.419 -1.669 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.445 -1.351 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.933 -1.210 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.075 -2.506 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.907 -3.811 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.806 -3.640 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.944 0.973 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.712 0.516 -7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.192 0.372 -5.623 1.00 0.00 H new ATOM 207 N LYS A 21 -2.322 -1.298 -8.738 1.00 0.00 N ATOM 208 CA LYS A 21 -2.901 -0.343 -9.678 1.00 0.00 C ATOM 209 C LYS A 21 -2.281 1.041 -9.495 1.00 0.00 C ATOM 210 O LYS A 21 -2.955 1.985 -9.079 1.00 0.00 O ATOM 211 CB LYS A 21 -4.417 -0.260 -9.485 1.00 0.00 C ATOM 212 CG LYS A 21 -5.110 -1.610 -9.511 1.00 0.00 C ATOM 213 CD LYS A 21 -5.352 -2.087 -10.934 1.00 0.00 C ATOM 214 CE LYS A 21 -6.837 -2.240 -11.224 1.00 0.00 C ATOM 215 NZ LYS A 21 -7.126 -2.196 -12.683 1.00 0.00 N ATOM 0 H LYS A 21 -2.801 -1.345 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.687 -0.691 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.627 0.228 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.840 0.371 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.502 -2.342 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.061 -1.542 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.914 -1.378 -11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.849 -3.042 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.192 -3.185 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.389 -1.446 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.149 -2.304 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.811 -1.284 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.620 -2.969 -13.161 1.00 0.00 H new ATOM 221 N GLU A 22 -0.991 1.151 -9.802 1.00 0.00 N ATOM 222 CA GLU A 22 -0.276 2.412 -9.670 1.00 0.00 C ATOM 223 C GLU A 22 -0.956 3.518 -10.471 1.00 0.00 C ATOM 224 O GLU A 22 -0.865 3.557 -11.698 1.00 0.00 O ATOM 225 CB GLU A 22 1.177 2.251 -10.126 1.00 0.00 C ATOM 226 CG GLU A 22 1.325 1.497 -11.436 1.00 0.00 C ATOM 227 CD GLU A 22 2.643 1.783 -12.130 1.00 0.00 C ATOM 228 OE1 GLU A 22 3.200 2.882 -11.920 1.00 0.00 O ATOM 229 OE2 GLU A 22 3.122 0.907 -12.881 1.00 0.00 O ATOM 0 H GLU A 22 -0.420 0.378 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.290 2.696 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.627 3.238 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.736 1.728 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.244 0.427 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.504 1.766 -12.100 1.00 0.00 H new ATOM 232 N LEU A 23 -1.641 4.411 -9.767 1.00 0.00 N ATOM 233 CA LEU A 23 -2.343 5.520 -10.408 1.00 0.00 C ATOM 234 C LEU A 23 -1.982 6.849 -9.754 1.00 0.00 C ATOM 235 O LEU A 23 -2.018 6.980 -8.530 1.00 0.00 O ATOM 236 CB LEU A 23 -3.855 5.301 -10.338 1.00 0.00 C ATOM 237 CG LEU A 23 -4.554 5.153 -11.689 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.345 3.755 -12.242 1.00 0.00 C ATOM 239 CD2 LEU A 23 -6.037 5.460 -11.555 1.00 0.00 C ATOM 0 H LEU A 23 -1.726 4.390 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.033 5.555 -11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.049 4.406 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.303 6.139 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.117 5.867 -12.387 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.849 3.665 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.279 3.571 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.757 3.023 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.520 5.350 -12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.489 4.768 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.166 6.482 -11.199 1.00 0.00 H new ATOM 249 N ASN A 24 -1.641 7.834 -10.579 1.00 0.00 N ATOM 250 CA ASN A 24 -1.278 9.159 -10.084 1.00 0.00 C ATOM 251 C ASN A 24 -2.500 9.874 -9.518 1.00 0.00 C ATOM 252 O ASN A 24 -3.442 10.186 -10.247 1.00 0.00 O ATOM 253 CB ASN A 24 -0.663 9.995 -11.208 1.00 0.00 C ATOM 254 CG ASN A 24 0.298 9.194 -12.065 1.00 0.00 C ATOM 255 OD1 ASN A 24 1.424 8.911 -11.656 1.00 0.00 O ATOM 256 ND2 ASN A 24 -0.145 8.825 -13.260 1.00 0.00 N ATOM 0 H ASN A 24 -1.608 7.740 -11.594 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.544 9.037 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.459 10.395 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.138 10.847 -10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.456 8.284 -13.882 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.086 9.082 -13.557 1.00 0.00 H new ATOM 261 N LEU A 25 -2.481 10.129 -8.212 1.00 0.00 N ATOM 262 CA LEU A 25 -3.591 10.804 -7.550 1.00 0.00 C ATOM 263 C LEU A 25 -3.298 12.289 -7.377 1.00 0.00 C ATOM 264 O LEU A 25 -2.284 12.668 -6.789 1.00 0.00 O ATOM 265 CB LEU A 25 -3.859 10.163 -6.189 1.00 0.00 C ATOM 266 CG LEU A 25 -5.334 9.989 -5.831 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.662 8.516 -5.636 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.678 10.785 -4.580 1.00 0.00 C ATOM 0 H LEU A 25 -1.710 9.878 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.477 10.699 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.378 9.185 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.384 10.771 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.937 10.370 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.716 8.409 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.454 7.972 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.051 8.111 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.733 10.649 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.069 10.435 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.479 11.842 -4.755 1.00 0.00 H new ATOM 278 N GLU A 26 -4.192 13.128 -7.891 1.00 0.00 N ATOM 279 CA GLU A 26 -4.028 14.573 -7.791 1.00 0.00 C ATOM 280 C GLU A 26 -4.978 15.159 -6.753 1.00 0.00 C ATOM 281 O GLU A 26 -6.194 14.989 -6.841 1.00 0.00 O ATOM 282 CB GLU A 26 -4.270 15.229 -9.152 1.00 0.00 C ATOM 283 CG GLU A 26 -3.699 16.632 -9.261 1.00 0.00 C ATOM 284 CD GLU A 26 -4.772 17.703 -9.241 1.00 0.00 C ATOM 285 OE1 GLU A 26 -5.832 17.471 -8.623 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.553 18.775 -9.846 1.00 0.00 O ATOM 0 H GLU A 26 -5.036 12.832 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.005 14.777 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.830 14.605 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.343 15.267 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.006 16.803 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.125 16.716 -10.184 1.00 0.00 H new ATOM 289 N LYS A 27 -4.412 15.851 -5.767 1.00 0.00 N ATOM 290 CA LYS A 27 -5.204 16.468 -4.707 1.00 0.00 C ATOM 291 C LYS A 27 -5.317 17.980 -4.927 1.00 0.00 C ATOM 292 O LYS A 27 -5.694 18.425 -6.011 1.00 0.00 O ATOM 293 CB LYS A 27 -4.584 16.161 -3.342 1.00 0.00 C ATOM 294 CG LYS A 27 -5.604 16.052 -2.219 1.00 0.00 C ATOM 295 CD LYS A 27 -5.858 14.603 -1.835 1.00 0.00 C ATOM 296 CE LYS A 27 -6.835 14.497 -0.675 1.00 0.00 C ATOM 297 NZ LYS A 27 -6.138 14.492 0.640 1.00 0.00 N ATOM 0 H LYS A 27 -3.406 15.998 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.210 16.049 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.027 15.226 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.866 16.943 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.248 16.603 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.540 16.516 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.252 14.061 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.916 14.127 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.534 15.332 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.423 13.585 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.839 14.418 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.489 13.680 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.598 15.374 0.750 1.00 0.00 H new ATOM 303 N ASP A 28 -4.992 18.769 -3.902 1.00 0.00 N ATOM 304 CA ASP A 28 -5.063 20.223 -4.005 1.00 0.00 C ATOM 305 C ASP A 28 -3.789 20.788 -4.624 1.00 0.00 C ATOM 306 O ASP A 28 -3.789 21.240 -5.769 1.00 0.00 O ATOM 307 CB ASP A 28 -5.292 20.844 -2.625 1.00 0.00 C ATOM 308 CG ASP A 28 -6.694 21.393 -2.463 1.00 0.00 C ATOM 309 OD1 ASP A 28 -7.609 20.604 -2.144 1.00 0.00 O ATOM 310 OD2 ASP A 28 -6.880 22.614 -2.652 1.00 0.00 O ATOM 0 H ASP A 28 -4.678 18.425 -2.995 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.903 20.475 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.108 20.093 -1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.571 21.646 -2.466 1.00 0.00 H new ATOM 313 N LYS A 29 -2.703 20.759 -3.856 1.00 0.00 N ATOM 314 CA LYS A 29 -1.419 21.267 -4.326 1.00 0.00 C ATOM 315 C LYS A 29 -0.358 20.171 -4.283 1.00 0.00 C ATOM 316 O LYS A 29 0.831 20.437 -4.461 1.00 0.00 O ATOM 317 CB LYS A 29 -0.976 22.456 -3.472 1.00 0.00 C ATOM 318 CG LYS A 29 -0.254 23.535 -4.260 1.00 0.00 C ATOM 319 CD LYS A 29 1.236 23.539 -3.962 1.00 0.00 C ATOM 320 CE LYS A 29 1.971 24.568 -4.807 1.00 0.00 C ATOM 321 NZ LYS A 29 3.347 24.120 -5.155 1.00 0.00 N ATOM 0 H LYS A 29 -2.687 20.389 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.538 21.595 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.851 22.893 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.321 22.098 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.412 23.376 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.677 24.510 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.396 23.753 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.649 22.548 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.408 24.756 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.023 25.512 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.814 24.849 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.893 23.965 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.297 23.232 -5.694 1.00 0.00 H new ATOM 327 N LYS A 30 -0.800 18.940 -4.044 1.00 0.00 N ATOM 328 CA LYS A 30 0.109 17.801 -3.976 1.00 0.00 C ATOM 329 C LYS A 30 -0.205 16.785 -5.070 1.00 0.00 C ATOM 330 O LYS A 30 -1.370 16.534 -5.382 1.00 0.00 O ATOM 331 CB LYS A 30 0.012 17.128 -2.604 1.00 0.00 C ATOM 332 CG LYS A 30 0.890 17.775 -1.546 1.00 0.00 C ATOM 333 CD LYS A 30 1.223 16.801 -0.427 1.00 0.00 C ATOM 334 CE LYS A 30 2.369 17.309 0.434 1.00 0.00 C ATOM 335 NZ LYS A 30 2.762 16.320 1.474 1.00 0.00 N ATOM 0 H LYS A 30 -1.781 18.706 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 30 1.123 18.170 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.025 17.153 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.290 16.079 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.812 18.132 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.382 18.646 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.341 16.645 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.488 15.833 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.228 17.531 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.077 18.243 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.546 16.704 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.950 16.127 2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.066 15.437 1.016 1.00 0.00 H new ATOM 341 N ILE A 31 0.841 16.205 -5.647 1.00 0.00 N ATOM 342 CA ILE A 31 0.680 15.215 -6.704 1.00 0.00 C ATOM 343 C ILE A 31 1.191 13.849 -6.257 1.00 0.00 C ATOM 344 O ILE A 31 2.345 13.497 -6.502 1.00 0.00 O ATOM 345 CB ILE A 31 1.420 15.631 -7.993 1.00 0.00 C ATOM 346 CG1 ILE A 31 1.278 17.139 -8.238 1.00 0.00 C ATOM 347 CG2 ILE A 31 0.896 14.840 -9.181 1.00 0.00 C ATOM 348 CD1 ILE A 31 -0.156 17.605 -8.399 1.00 0.00 C ATOM 0 H ILE A 31 1.810 16.404 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.387 15.153 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 31 2.480 15.408 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.733 17.676 -7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.839 17.406 -9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.427 15.144 -10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.054 13.776 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.170 15.033 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.172 18.682 -8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.610 17.097 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.718 17.372 -7.495 1.00 0.00 H new ATOM 358 N PHE A 32 0.324 13.085 -5.599 1.00 0.00 N ATOM 359 CA PHE A 32 0.686 11.758 -5.115 1.00 0.00 C ATOM 360 C PHE A 32 1.053 10.838 -6.275 1.00 0.00 C ATOM 361 O PHE A 32 0.256 10.629 -7.189 1.00 0.00 O ATOM 362 CB PHE A 32 -0.468 11.151 -4.316 1.00 0.00 C ATOM 363 CG PHE A 32 -0.864 11.964 -3.115 1.00 0.00 C ATOM 364 CD1 PHE A 32 0.003 12.110 -2.042 1.00 0.00 C ATOM 365 CD2 PHE A 32 -2.104 12.579 -3.057 1.00 0.00 C ATOM 366 CE1 PHE A 32 -0.360 12.854 -0.937 1.00 0.00 C ATOM 367 CE2 PHE A 32 -2.473 13.324 -1.955 1.00 0.00 C ATOM 368 CZ PHE A 32 -1.600 13.463 -0.892 1.00 0.00 C ATOM 0 H PHE A 32 -0.635 13.363 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 32 1.555 11.861 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.333 11.040 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.185 10.150 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.973 11.636 -2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.790 12.474 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.324 12.960 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.443 13.798 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.886 14.046 -0.029 1.00 0.00 H new ATOM 376 N ASN A 33 2.263 10.290 -6.230 1.00 0.00 N ATOM 377 CA ASN A 33 2.736 9.391 -7.277 1.00 0.00 C ATOM 378 C ASN A 33 2.277 7.963 -7.010 1.00 0.00 C ATOM 379 O ASN A 33 2.715 7.327 -6.047 1.00 0.00 O ATOM 380 CB ASN A 33 4.262 9.442 -7.376 1.00 0.00 C ATOM 381 CG ASN A 33 4.830 10.754 -6.870 1.00 0.00 C ATOM 382 OD1 ASN A 33 5.439 10.810 -5.804 1.00 0.00 O ATOM 383 ND2 ASN A 33 4.630 11.819 -7.639 1.00 0.00 N ATOM 0 H ASN A 33 2.934 10.453 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 33 2.310 9.720 -8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.688 8.619 -6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.561 9.296 -8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.988 12.730 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.118 11.726 -8.517 1.00 0.00 H new ATOM 388 N HIS A 34 1.389 7.467 -7.868 1.00 0.00 N ATOM 389 CA HIS A 34 0.861 6.117 -7.731 1.00 0.00 C ATOM 390 C HIS A 34 0.238 5.920 -6.350 1.00 0.00 C ATOM 391 O HIS A 34 0.680 5.073 -5.575 1.00 0.00 O ATOM 392 CB HIS A 34 1.968 5.083 -7.963 1.00 0.00 C ATOM 393 CG HIS A 34 2.793 5.346 -9.186 1.00 0.00 C ATOM 394 ND1 HIS A 34 4.173 5.322 -9.185 1.00 0.00 N ATOM 395 CD2 HIS A 34 2.427 5.639 -10.457 1.00 0.00 C ATOM 396 CE1 HIS A 34 4.617 5.588 -10.399 1.00 0.00 C ATOM 397 NE2 HIS A 34 3.579 5.783 -11.190 1.00 0.00 N ATOM 0 H HIS A 34 1.021 7.983 -8.667 1.00 0.00 H new ATOM 0 HA HIS A 34 0.086 5.976 -8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.623 5.063 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.517 4.094 -8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.417 5.740 -10.825 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.654 5.638 -10.695 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.625 6.005 -12.185 1.00 0.00 H new ATOM 404 N CYS A 35 -0.788 6.713 -6.049 1.00 0.00 N ATOM 405 CA CYS A 35 -1.468 6.625 -4.761 1.00 0.00 C ATOM 406 C CYS A 35 -2.629 5.642 -4.828 1.00 0.00 C ATOM 407 O CYS A 35 -3.420 5.662 -5.770 1.00 0.00 O ATOM 408 CB CYS A 35 -1.970 8.001 -4.324 1.00 0.00 C ATOM 409 SG CYS A 35 -3.233 7.950 -3.029 1.00 0.00 S ATOM 0 H CYS A 35 -1.165 7.422 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.750 6.263 -4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.124 8.588 -3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.376 8.520 -5.192 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.593 9.162 -2.726 1.00 0.00 H new ATOM 413 N PHE A 36 -2.719 4.777 -3.823 1.00 0.00 N ATOM 414 CA PHE A 36 -3.777 3.781 -3.771 1.00 0.00 C ATOM 415 C PHE A 36 -4.306 3.615 -2.351 1.00 0.00 C ATOM 416 O PHE A 36 -3.924 4.354 -1.445 1.00 0.00 O ATOM 417 CB PHE A 36 -3.267 2.436 -4.304 1.00 0.00 C ATOM 418 CG PHE A 36 -1.872 2.085 -3.855 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.766 2.706 -4.418 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.667 1.124 -2.878 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.513 2.378 -4.013 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.389 0.791 -2.471 1.00 0.00 C ATOM 423 CZ PHE A 36 0.701 1.418 -3.040 1.00 0.00 C ATOM 0 H PHE A 36 -2.072 4.748 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.597 4.127 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.949 1.648 -3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.292 2.456 -5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.907 3.455 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.516 0.629 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.364 2.872 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.243 0.041 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.700 1.157 -2.724 1.00 0.00 H new ATOM 431 N THR A 37 -5.191 2.640 -2.166 1.00 0.00 N ATOM 432 CA THR A 37 -5.778 2.377 -0.858 1.00 0.00 C ATOM 433 C THR A 37 -5.019 1.274 -0.127 1.00 0.00 C ATOM 434 O THR A 37 -4.111 0.659 -0.685 1.00 0.00 O ATOM 435 CB THR A 37 -7.260 1.973 -0.979 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.421 1.004 -2.022 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.131 3.188 -1.270 1.00 0.00 C ATOM 0 H THR A 37 -5.517 2.019 -2.907 1.00 0.00 H new ATOM 0 HA THR A 37 -5.707 3.303 -0.287 1.00 0.00 H new ATOM 0 HB THR A 37 -7.574 1.540 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.365 0.751 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.173 2.878 -1.351 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.030 3.911 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.815 3.646 -2.207 1.00 0.00 H new ATOM 445 N GLY A 38 -5.397 1.031 1.125 1.00 0.00 N ATOM 446 CA GLY A 38 -4.741 0.005 1.914 1.00 0.00 C ATOM 447 C GLY A 38 -5.252 -1.388 1.596 1.00 0.00 C ATOM 448 O GLY A 38 -4.469 -2.333 1.489 1.00 0.00 O ATOM 0 H GLY A 38 -6.147 1.527 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.667 0.044 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.895 0.212 2.973 1.00 0.00 H new ATOM 452 N ASN A 39 -6.567 -1.516 1.447 1.00 0.00 N ATOM 453 CA ASN A 39 -7.183 -2.803 1.144 1.00 0.00 C ATOM 454 C ASN A 39 -6.760 -3.306 -0.233 1.00 0.00 C ATOM 455 O ASN A 39 -6.926 -4.482 -0.553 1.00 0.00 O ATOM 456 CB ASN A 39 -8.708 -2.693 1.219 1.00 0.00 C ATOM 457 CG ASN A 39 -9.331 -2.340 -0.117 1.00 0.00 C ATOM 458 OD1 ASN A 39 -9.938 -3.185 -0.775 1.00 0.00 O ATOM 459 ND2 ASN A 39 -9.182 -1.085 -0.525 1.00 0.00 N ATOM 0 H ASN A 39 -7.227 -0.743 1.531 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.841 -3.523 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.120 -3.639 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.979 -1.935 1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.579 -0.788 -1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.671 -0.418 0.053 1.00 0.00 H new ATOM 464 N CYS A 40 -6.214 -2.405 -1.045 1.00 0.00 N ATOM 465 CA CYS A 40 -5.768 -2.756 -2.389 1.00 0.00 C ATOM 466 C CYS A 40 -4.590 -3.724 -2.336 1.00 0.00 C ATOM 467 O CYS A 40 -4.587 -4.749 -3.017 1.00 0.00 O ATOM 468 CB CYS A 40 -5.374 -1.499 -3.165 1.00 0.00 C ATOM 469 SG CYS A 40 -5.315 -1.727 -4.956 1.00 0.00 S ATOM 0 H CYS A 40 -6.070 -1.427 -0.795 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.596 -3.246 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.084 -0.705 -2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.396 -1.163 -2.820 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.975 -0.609 -5.525 1.00 0.00 H new ATOM 473 N VAL A 41 -3.590 -3.389 -1.527 1.00 0.00 N ATOM 474 CA VAL A 41 -2.404 -4.228 -1.390 1.00 0.00 C ATOM 475 C VAL A 41 -2.756 -5.591 -0.805 1.00 0.00 C ATOM 476 O VAL A 41 -2.144 -6.600 -1.154 1.00 0.00 O ATOM 477 CB VAL A 41 -1.343 -3.559 -0.496 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.109 -4.438 -0.375 1.00 0.00 C ATOM 479 CG2 VAL A 41 -0.978 -2.190 -1.045 1.00 0.00 C ATOM 0 H VAL A 41 -3.577 -2.543 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.996 -4.361 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.763 -3.430 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.627 -3.946 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.386 -5.396 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.318 -4.603 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.227 -1.729 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.577 -2.297 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.867 -1.560 -1.073 1.00 0.00 H new ATOM 489 N ILE A 42 -3.741 -5.614 0.085 1.00 0.00 N ATOM 490 CA ILE A 42 -4.167 -6.859 0.715 1.00 0.00 C ATOM 491 C ILE A 42 -4.801 -7.796 -0.306 1.00 0.00 C ATOM 492 O ILE A 42 -4.520 -8.993 -0.320 1.00 0.00 O ATOM 493 CB ILE A 42 -5.171 -6.607 1.858 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.791 -5.351 2.647 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.233 -7.814 2.778 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.447 -5.443 3.343 1.00 0.00 C ATOM 0 H ILE A 42 -4.258 -4.788 0.386 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.273 -7.323 1.131 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.157 -6.449 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.780 -4.498 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.562 -5.155 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.945 -7.623 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.551 -8.688 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.247 -7.998 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.251 -4.515 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.459 -6.274 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.664 -5.606 2.602 1.00 0.00 H new ATOM 506 N ASP A 43 -5.656 -7.245 -1.162 1.00 0.00 N ATOM 507 CA ASP A 43 -6.327 -8.036 -2.189 1.00 0.00 C ATOM 508 C ASP A 43 -5.337 -8.486 -3.257 1.00 0.00 C ATOM 509 O ASP A 43 -5.451 -9.587 -3.798 1.00 0.00 O ATOM 510 CB ASP A 43 -7.455 -7.227 -2.831 1.00 0.00 C ATOM 511 CG ASP A 43 -8.571 -8.106 -3.357 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.453 -8.488 -2.558 1.00 0.00 O ATOM 513 OD2 ASP A 43 -8.567 -8.412 -4.568 1.00 0.00 O ATOM 0 H ASP A 43 -5.901 -6.255 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.751 -8.921 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.861 -6.530 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.050 -6.630 -3.649 1.00 0.00 H new ATOM 516 N TRP A 44 -4.364 -7.632 -3.554 1.00 0.00 N ATOM 517 CA TRP A 44 -3.350 -7.943 -4.558 1.00 0.00 C ATOM 518 C TRP A 44 -2.452 -9.078 -4.077 1.00 0.00 C ATOM 519 O TRP A 44 -2.176 -10.023 -4.816 1.00 0.00 O ATOM 520 CB TRP A 44 -2.512 -6.701 -4.869 1.00 0.00 C ATOM 521 CG TRP A 44 -1.473 -6.932 -5.925 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.660 -6.916 -7.278 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.086 -7.218 -5.715 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.475 -7.172 -7.920 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.506 -7.363 -6.984 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.713 -7.365 -4.579 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.860 -7.648 -7.145 1.00 0.00 C ATOM 528 CZ3 TRP A 44 2.055 -7.648 -4.739 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.618 -7.786 -6.014 1.00 0.00 C ATOM 0 H TRP A 44 -4.255 -6.718 -3.114 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.854 -8.263 -5.470 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.174 -5.897 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.022 -6.364 -3.955 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.603 -6.729 -7.770 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.346 -7.213 -8.931 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.288 -7.259 -3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.296 -7.756 -8.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.681 -7.765 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.671 -8.006 -6.106 1.00 0.00 H new ATOM 538 N LEU A 45 -2.004 -8.978 -2.828 1.00 0.00 N ATOM 539 CA LEU A 45 -1.144 -9.996 -2.237 1.00 0.00 C ATOM 540 C LEU A 45 -1.899 -11.313 -2.089 1.00 0.00 C ATOM 541 O LEU A 45 -1.371 -12.384 -2.391 1.00 0.00 O ATOM 542 CB LEU A 45 -0.638 -9.532 -0.871 1.00 0.00 C ATOM 543 CG LEU A 45 0.848 -9.179 -0.814 1.00 0.00 C ATOM 544 CD1 LEU A 45 1.072 -7.745 -1.263 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.391 -9.389 0.590 1.00 0.00 C ATOM 0 H LEU A 45 -2.224 -8.200 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.292 -10.152 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.215 -8.659 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.837 -10.317 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 45 1.386 -9.840 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.136 -7.511 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.719 -7.625 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.522 -7.069 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.450 -9.133 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.849 -8.752 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.264 -10.433 0.877 1.00 0.00 H new ATOM 555 N VAL A 46 -3.139 -11.216 -1.623 1.00 0.00 N ATOM 556 CA VAL A 46 -3.985 -12.386 -1.429 1.00 0.00 C ATOM 557 C VAL A 46 -4.320 -13.040 -2.769 1.00 0.00 C ATOM 558 O VAL A 46 -4.547 -14.249 -2.843 1.00 0.00 O ATOM 559 CB VAL A 46 -5.284 -11.998 -0.681 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.375 -13.044 -0.860 1.00 0.00 C ATOM 561 CG2 VAL A 46 -4.996 -11.777 0.796 1.00 0.00 C ATOM 0 H VAL A 46 -3.582 -10.333 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.436 -13.106 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.650 -11.068 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.269 -12.733 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.609 -13.148 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.029 -14.001 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.918 -11.505 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.596 -12.693 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.267 -10.974 0.908 1.00 0.00 H new ATOM 571 N SER A 47 -4.335 -12.236 -3.828 1.00 0.00 N ATOM 572 CA SER A 47 -4.630 -12.739 -5.165 1.00 0.00 C ATOM 573 C SER A 47 -3.458 -13.551 -5.711 1.00 0.00 C ATOM 574 O SER A 47 -3.553 -14.147 -6.786 1.00 0.00 O ATOM 575 CB SER A 47 -4.945 -11.580 -6.115 1.00 0.00 C ATOM 576 OG SER A 47 -3.778 -11.139 -6.789 1.00 0.00 O ATOM 0 H SER A 47 -4.146 -11.234 -3.786 1.00 0.00 H new ATOM 0 HA SER A 47 -5.502 -13.389 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.692 -11.896 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.378 -10.753 -5.553 1.00 0.00 H new ATOM 0 HG SER A 47 -3.163 -10.729 -6.145 1.00 0.00 H new ATOM 580 N ASN A 48 -2.357 -13.568 -4.967 1.00 0.00 N ATOM 581 CA ASN A 48 -1.167 -14.306 -5.378 1.00 0.00 C ATOM 582 C ASN A 48 -0.894 -15.473 -4.435 1.00 0.00 C ATOM 583 O ASN A 48 -1.774 -15.898 -3.686 1.00 0.00 O ATOM 584 CB ASN A 48 0.046 -13.375 -5.423 1.00 0.00 C ATOM 585 CG ASN A 48 0.670 -13.308 -6.804 1.00 0.00 C ATOM 586 OD1 ASN A 48 1.814 -13.716 -7.000 1.00 0.00 O ATOM 587 ND2 ASN A 48 -0.082 -12.789 -7.767 1.00 0.00 N ATOM 0 H ASN A 48 -2.264 -13.079 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.346 -14.706 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.255 -12.374 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.792 -13.719 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.284 -12.716 -8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.026 -12.463 -7.558 1.00 0.00 H new ATOM 592 N GLN A 49 0.331 -15.993 -4.479 1.00 0.00 N ATOM 593 CA GLN A 49 0.717 -17.115 -3.632 1.00 0.00 C ATOM 594 C GLN A 49 1.355 -16.633 -2.331 1.00 0.00 C ATOM 595 O GLN A 49 1.588 -17.424 -1.417 1.00 0.00 O ATOM 596 CB GLN A 49 1.689 -18.031 -4.378 1.00 0.00 C ATOM 597 CG GLN A 49 1.146 -18.552 -5.698 1.00 0.00 C ATOM 598 CD GLN A 49 1.776 -17.871 -6.898 1.00 0.00 C ATOM 599 OE1 GLN A 49 1.082 -17.465 -7.830 1.00 0.00 O ATOM 600 NE2 GLN A 49 3.099 -17.745 -6.882 1.00 0.00 N ATOM 0 H GLN A 49 1.072 -15.654 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.186 -17.672 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.615 -17.488 -4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.940 -18.878 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.322 -19.626 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.066 -18.404 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.635 -18.096 -6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.578 -17.297 -7.663 1.00 0.00 H new ATOM 605 N SER A 50 1.634 -15.333 -2.252 1.00 0.00 N ATOM 606 CA SER A 50 2.242 -14.753 -1.058 1.00 0.00 C ATOM 607 C SER A 50 1.383 -15.029 0.172 1.00 0.00 C ATOM 608 O SER A 50 1.877 -15.515 1.191 1.00 0.00 O ATOM 609 CB SER A 50 2.436 -13.245 -1.238 1.00 0.00 C ATOM 610 OG SER A 50 1.229 -12.540 -1.000 1.00 0.00 O ATOM 0 H SER A 50 1.449 -14.664 -2.999 1.00 0.00 H new ATOM 0 HA SER A 50 3.217 -15.218 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.208 -12.891 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.787 -13.039 -2.249 1.00 0.00 H new ATOM 0 HG SER A 50 0.570 -12.779 -1.685 1.00 0.00 H new ATOM 614 N VAL A 51 0.095 -14.726 0.064 1.00 0.00 N ATOM 615 CA VAL A 51 -0.843 -14.948 1.158 1.00 0.00 C ATOM 616 C VAL A 51 -2.138 -15.556 0.642 1.00 0.00 C ATOM 617 O VAL A 51 -2.315 -15.736 -0.563 1.00 0.00 O ATOM 618 CB VAL A 51 -1.171 -13.642 1.907 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.001 -13.209 2.772 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.551 -12.543 0.927 1.00 0.00 C ATOM 0 H VAL A 51 -0.325 -14.324 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.360 -15.637 1.851 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.024 -13.828 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.252 -12.285 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.221 -13.988 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.876 -13.044 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.779 -11.629 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.720 -12.360 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.427 -12.851 0.356 1.00 0.00 H new ATOM 630 N ARG A 52 -3.042 -15.867 1.562 1.00 0.00 N ATOM 631 CA ARG A 52 -4.325 -16.450 1.204 1.00 0.00 C ATOM 632 C ARG A 52 -5.461 -15.682 1.864 1.00 0.00 C ATOM 633 O ARG A 52 -6.380 -15.212 1.195 1.00 0.00 O ATOM 634 CB ARG A 52 -4.373 -17.921 1.621 1.00 0.00 C ATOM 635 CG ARG A 52 -5.031 -18.823 0.591 1.00 0.00 C ATOM 636 CD ARG A 52 -6.432 -19.226 1.021 1.00 0.00 C ATOM 637 NE ARG A 52 -7.202 -19.789 -0.084 1.00 0.00 N ATOM 638 CZ ARG A 52 -7.177 -21.076 -0.421 1.00 0.00 C ATOM 639 NH1 ARG A 52 -6.430 -21.931 0.265 1.00 0.00 N ATOM 640 NH2 ARG A 52 -7.903 -21.509 -1.443 1.00 0.00 N ATOM 0 H ARG A 52 -2.908 -15.724 2.563 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.444 -16.386 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.357 -18.272 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.913 -18.005 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.077 -18.308 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.423 -19.716 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.368 -19.957 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.953 -18.356 1.420 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.793 -19.160 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.873 -21.603 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.413 -22.917 0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.481 -20.855 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.883 -22.496 -1.701 1.00 0.00 H new ATOM 648 N ASN A 53 -5.387 -15.559 3.184 1.00 0.00 N ATOM 649 CA ASN A 53 -6.404 -14.840 3.943 1.00 0.00 C ATOM 650 C ASN A 53 -6.153 -13.337 3.910 1.00 0.00 C ATOM 651 O ASN A 53 -5.036 -12.888 3.645 1.00 0.00 O ATOM 652 CB ASN A 53 -6.437 -15.334 5.390 1.00 0.00 C ATOM 653 CG ASN A 53 -6.604 -16.839 5.486 1.00 0.00 C ATOM 654 OD1 ASN A 53 -7.337 -17.444 4.703 1.00 0.00 O ATOM 655 ND2 ASN A 53 -5.923 -17.448 6.449 1.00 0.00 N ATOM 0 H ASN A 53 -4.634 -15.948 3.751 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.370 -15.036 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.515 -15.041 5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.256 -14.846 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.995 -18.459 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.328 -16.905 7.074 1.00 0.00 H new ATOM 660 N ARG A 54 -7.196 -12.563 4.197 1.00 0.00 N ATOM 661 CA ARG A 54 -7.089 -11.110 4.214 1.00 0.00 C ATOM 662 C ARG A 54 -6.156 -10.660 5.332 1.00 0.00 C ATOM 663 O ARG A 54 -5.360 -9.735 5.161 1.00 0.00 O ATOM 664 CB ARG A 54 -8.470 -10.478 4.394 1.00 0.00 C ATOM 665 CG ARG A 54 -8.621 -9.133 3.705 1.00 0.00 C ATOM 666 CD ARG A 54 -10.077 -8.812 3.428 1.00 0.00 C ATOM 667 NE ARG A 54 -10.348 -7.378 3.494 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.112 -6.812 4.424 1.00 0.00 C ATOM 669 NH1 ARG A 54 -11.672 -7.554 5.371 1.00 0.00 N ATOM 670 NH2 ARG A 54 -11.318 -5.503 4.409 1.00 0.00 N ATOM 0 H ARG A 54 -8.125 -12.920 4.421 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.675 -10.782 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.226 -11.161 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.667 -10.355 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.187 -8.352 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.064 -9.138 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.348 -9.186 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.706 -9.333 4.150 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.927 -6.776 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.517 -8.562 5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.257 -7.116 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.890 -4.928 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.904 -5.071 5.123 1.00 0.00 H new ATOM 678 N GLN A 55 -6.257 -11.327 6.478 1.00 0.00 N ATOM 679 CA GLN A 55 -5.422 -11.004 7.628 1.00 0.00 C ATOM 680 C GLN A 55 -3.957 -11.300 7.333 1.00 0.00 C ATOM 681 O GLN A 55 -3.060 -10.636 7.854 1.00 0.00 O ATOM 682 CB GLN A 55 -5.879 -11.794 8.851 1.00 0.00 C ATOM 683 CG GLN A 55 -6.563 -10.942 9.907 1.00 0.00 C ATOM 684 CD GLN A 55 -7.751 -10.177 9.358 1.00 0.00 C ATOM 685 OE1 GLN A 55 -7.931 -8.995 9.649 1.00 0.00 O ATOM 686 NE2 GLN A 55 -8.570 -10.851 8.557 1.00 0.00 N ATOM 0 H GLN A 55 -6.910 -12.095 6.634 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.524 -9.939 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.564 -12.579 8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.016 -12.287 9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.894 -11.581 10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.843 -10.238 10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.382 -11.830 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.386 -10.389 8.157 1.00 0.00 H new ATOM 691 N GLU A 56 -3.721 -12.304 6.489 1.00 0.00 N ATOM 692 CA GLU A 56 -2.363 -12.688 6.122 1.00 0.00 C ATOM 693 C GLU A 56 -1.681 -11.570 5.347 1.00 0.00 C ATOM 694 O GLU A 56 -0.620 -11.083 5.745 1.00 0.00 O ATOM 695 CB GLU A 56 -2.378 -13.970 5.287 1.00 0.00 C ATOM 696 CG GLU A 56 -2.536 -15.234 6.115 1.00 0.00 C ATOM 697 CD GLU A 56 -1.877 -16.439 5.473 1.00 0.00 C ATOM 698 OE1 GLU A 56 -1.707 -16.435 4.236 1.00 0.00 O ATOM 699 OE2 GLU A 56 -1.530 -17.388 6.209 1.00 0.00 O ATOM 0 H GLU A 56 -4.452 -12.863 6.049 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.801 -12.871 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.193 -13.914 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.451 -14.033 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.105 -15.073 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.597 -15.439 6.259 1.00 0.00 H new ATOM 702 N GLY A 57 -2.299 -11.158 4.242 1.00 0.00 N ATOM 703 CA GLY A 57 -1.733 -10.091 3.440 1.00 0.00 C ATOM 704 C GLY A 57 -1.603 -8.807 4.228 1.00 0.00 C ATOM 705 O GLY A 57 -0.755 -7.971 3.923 1.00 0.00 O ATOM 0 H GLY A 57 -3.176 -11.543 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.752 -10.393 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.362 -9.920 2.566 1.00 0.00 H new ATOM 709 N LEU A 58 -2.431 -8.658 5.262 1.00 0.00 N ATOM 710 CA LEU A 58 -2.374 -7.474 6.108 1.00 0.00 C ATOM 711 C LEU A 58 -1.006 -7.401 6.767 1.00 0.00 C ATOM 712 O LEU A 58 -0.288 -6.411 6.628 1.00 0.00 O ATOM 713 CB LEU A 58 -3.476 -7.512 7.170 1.00 0.00 C ATOM 714 CG LEU A 58 -4.135 -6.163 7.465 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.537 -6.363 8.018 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.286 -5.356 8.436 1.00 0.00 C ATOM 0 H LEU A 58 -3.142 -9.338 5.530 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.532 -6.587 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.246 -8.213 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.055 -7.904 8.096 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.212 -5.606 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.990 -5.393 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.143 -6.900 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.485 -6.940 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.770 -4.400 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.177 -5.908 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.302 -5.181 8.001 1.00 0.00 H new ATOM 726 N MET A 59 -0.647 -8.475 7.467 1.00 0.00 N ATOM 727 CA MET A 59 0.636 -8.582 8.134 1.00 0.00 C ATOM 728 C MET A 59 1.779 -8.225 7.199 1.00 0.00 C ATOM 729 O MET A 59 2.558 -7.313 7.469 1.00 0.00 O ATOM 730 CB MET A 59 0.823 -10.006 8.625 1.00 0.00 C ATOM 731 CG MET A 59 0.916 -10.100 10.125 1.00 0.00 C ATOM 732 SD MET A 59 2.455 -9.402 10.769 1.00 0.00 S ATOM 733 CE MET A 59 3.624 -9.835 9.471 1.00 0.00 C ATOM 0 H MET A 59 -1.243 -9.294 7.584 1.00 0.00 H new ATOM 0 HA MET A 59 0.646 -7.882 8.970 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.010 -10.617 8.278 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.728 -10.422 8.183 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.069 -9.578 10.572 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.841 -11.145 10.426 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.636 -9.832 9.877 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.390 -10.828 9.087 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.555 -9.108 8.662 1.00 0.00 H new ATOM 739 N ILE A 60 1.878 -8.968 6.106 1.00 0.00 N ATOM 740 CA ILE A 60 2.929 -8.751 5.125 1.00 0.00 C ATOM 741 C ILE A 60 2.990 -7.287 4.694 1.00 0.00 C ATOM 742 O ILE A 60 4.053 -6.661 4.726 1.00 0.00 O ATOM 743 CB ILE A 60 2.728 -9.644 3.886 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.347 -11.072 4.302 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.996 -9.653 3.051 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.382 -11.753 5.176 1.00 0.00 C ATOM 0 H ILE A 60 1.239 -9.730 5.877 1.00 0.00 H new ATOM 0 HA ILE A 60 3.872 -9.017 5.602 1.00 0.00 H new ATOM 0 HB ILE A 60 1.912 -9.239 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.397 -11.043 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.191 -11.672 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.851 -10.286 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.228 -8.637 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.821 -10.043 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.041 -12.757 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.328 -11.815 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.522 -11.177 6.091 1.00 0.00 H new ATOM 756 N ALA A 61 1.844 -6.746 4.301 1.00 0.00 N ATOM 757 CA ALA A 61 1.763 -5.355 3.875 1.00 0.00 C ATOM 758 C ALA A 61 2.195 -4.418 4.996 1.00 0.00 C ATOM 759 O ALA A 61 2.735 -3.340 4.744 1.00 0.00 O ATOM 760 CB ALA A 61 0.350 -5.022 3.420 1.00 0.00 C ATOM 0 H ALA A 61 0.958 -7.250 4.268 1.00 0.00 H new ATOM 0 HA ALA A 61 2.443 -5.216 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.305 -3.980 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.076 -5.666 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.345 -5.182 4.244 1.00 0.00 H new ATOM 766 N SER A 62 1.964 -4.840 6.237 1.00 0.00 N ATOM 767 CA SER A 62 2.339 -4.042 7.397 1.00 0.00 C ATOM 768 C SER A 62 3.855 -3.886 7.453 1.00 0.00 C ATOM 769 O SER A 62 4.368 -2.822 7.798 1.00 0.00 O ATOM 770 CB SER A 62 1.827 -4.688 8.686 1.00 0.00 C ATOM 771 OG SER A 62 2.758 -4.532 9.742 1.00 0.00 O ATOM 0 H SER A 62 1.519 -5.730 6.463 1.00 0.00 H new ATOM 0 HA SER A 62 1.882 -3.057 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.875 -4.239 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.641 -5.748 8.515 1.00 0.00 H new ATOM 0 HG SER A 62 2.405 -4.952 10.554 1.00 0.00 H new ATOM 775 N SER A 63 4.561 -4.954 7.095 1.00 0.00 N ATOM 776 CA SER A 63 6.017 -4.937 7.089 1.00 0.00 C ATOM 777 C SER A 63 6.525 -4.006 5.995 1.00 0.00 C ATOM 778 O SER A 63 7.562 -3.359 6.146 1.00 0.00 O ATOM 779 CB SER A 63 6.567 -6.348 6.875 1.00 0.00 C ATOM 780 OG SER A 63 7.504 -6.688 7.883 1.00 0.00 O ATOM 0 H SER A 63 4.148 -5.841 6.806 1.00 0.00 H new ATOM 0 HA SER A 63 6.364 -4.571 8.055 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.747 -7.066 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.042 -6.412 5.896 1.00 0.00 H new ATOM 0 HG SER A 63 7.840 -7.595 7.725 1.00 0.00 H new ATOM 784 N LEU A 64 5.778 -3.941 4.895 1.00 0.00 N ATOM 785 CA LEU A 64 6.139 -3.082 3.772 1.00 0.00 C ATOM 786 C LEU A 64 6.229 -1.624 4.212 1.00 0.00 C ATOM 787 O LEU A 64 7.271 -0.984 4.072 1.00 0.00 O ATOM 788 CB LEU A 64 5.108 -3.217 2.649 1.00 0.00 C ATOM 789 CG LEU A 64 5.549 -4.062 1.457 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.392 -4.904 0.945 1.00 0.00 C ATOM 791 CD2 LEU A 64 6.098 -3.177 0.351 1.00 0.00 C ATOM 0 H LEU A 64 4.919 -4.474 4.758 1.00 0.00 H new ATOM 0 HA LEU A 64 7.115 -3.398 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.198 -3.650 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.852 -2.220 2.291 1.00 0.00 H new ATOM 0 HG LEU A 64 6.343 -4.733 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.724 -5.500 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.044 -5.565 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.577 -4.251 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.408 -3.796 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.325 -2.481 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.956 -2.618 0.725 1.00 0.00 H new ATOM 801 N LEU A 65 5.124 -1.108 4.743 1.00 0.00 N ATOM 802 CA LEU A 65 5.064 0.276 5.206 1.00 0.00 C ATOM 803 C LEU A 65 5.978 0.496 6.409 1.00 0.00 C ATOM 804 O LEU A 65 6.543 1.575 6.581 1.00 0.00 O ATOM 805 CB LEU A 65 3.625 0.650 5.568 1.00 0.00 C ATOM 806 CG LEU A 65 3.438 2.067 6.120 1.00 0.00 C ATOM 807 CD1 LEU A 65 3.579 3.095 5.009 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.086 2.203 6.799 1.00 0.00 C ATOM 0 H LEU A 65 4.255 -1.629 4.864 1.00 0.00 H new ATOM 0 HA LEU A 65 5.409 0.917 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.003 0.538 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.256 -0.062 6.307 1.00 0.00 H new ATOM 0 HG LEU A 65 4.216 2.250 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.443 4.095 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.571 3.017 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.824 2.911 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.973 3.216 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.295 1.998 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.019 1.492 7.623 1.00 0.00 H new ATOM 818 N ASN A 66 6.115 -0.536 7.240 1.00 0.00 N ATOM 819 CA ASN A 66 6.960 -0.454 8.428 1.00 0.00 C ATOM 820 C ASN A 66 8.399 -0.121 8.049 1.00 0.00 C ATOM 821 O ASN A 66 9.036 0.727 8.676 1.00 0.00 O ATOM 822 CB ASN A 66 6.917 -1.773 9.203 1.00 0.00 C ATOM 823 CG ASN A 66 7.402 -1.625 10.633 1.00 0.00 C ATOM 824 OD1 ASN A 66 7.664 -0.518 11.102 1.00 0.00 O ATOM 825 ND2 ASN A 66 7.522 -2.746 11.335 1.00 0.00 N ATOM 0 H ASN A 66 5.653 -1.436 7.112 1.00 0.00 H new ATOM 0 HA ASN A 66 6.575 0.345 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.896 -2.155 9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.532 -2.512 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.842 -2.710 12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.294 -3.643 10.906 1.00 0.00 H new ATOM 830 N GLU A 67 8.902 -0.792 7.019 1.00 0.00 N ATOM 831 CA GLU A 67 10.263 -0.568 6.552 1.00 0.00 C ATOM 832 C GLU A 67 10.383 0.789 5.865 1.00 0.00 C ATOM 833 O GLU A 67 11.476 1.344 5.751 1.00 0.00 O ATOM 834 CB GLU A 67 10.684 -1.679 5.591 1.00 0.00 C ATOM 835 CG GLU A 67 11.196 -2.926 6.292 1.00 0.00 C ATOM 836 CD GLU A 67 12.494 -3.438 5.697 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.566 -2.923 6.077 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.437 -4.355 4.851 1.00 0.00 O ATOM 0 H GLU A 67 8.386 -1.496 6.492 1.00 0.00 H new ATOM 0 HA GLU A 67 10.925 -0.578 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.834 -1.948 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.462 -1.300 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.346 -2.708 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.440 -3.708 6.232 1.00 0.00 H new ATOM 841 N GLY A 68 9.250 1.318 5.410 1.00 0.00 N ATOM 842 CA GLY A 68 9.249 2.607 4.741 1.00 0.00 C ATOM 843 C GLY A 68 9.066 2.481 3.241 1.00 0.00 C ATOM 844 O GLY A 68 9.250 3.450 2.505 1.00 0.00 O ATOM 0 H GLY A 68 8.334 0.877 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.450 3.225 5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.188 3.121 4.948 1.00 0.00 H new ATOM 848 N TYR A 69 8.703 1.285 2.793 1.00 0.00 N ATOM 849 CA TYR A 69 8.491 1.030 1.373 1.00 0.00 C ATOM 850 C TYR A 69 7.371 1.907 0.826 1.00 0.00 C ATOM 851 O TYR A 69 7.495 2.492 -0.251 1.00 0.00 O ATOM 852 CB TYR A 69 8.148 -0.443 1.144 1.00 0.00 C ATOM 853 CG TYR A 69 9.347 -1.365 1.176 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.420 -1.172 0.316 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.402 -2.430 2.065 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.515 -2.015 0.341 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.494 -3.278 2.096 1.00 0.00 C ATOM 858 CZ TYR A 69 11.546 -3.066 1.231 1.00 0.00 C ATOM 859 OH TYR A 69 12.635 -3.907 1.259 1.00 0.00 O ATOM 0 H TYR A 69 8.549 0.475 3.394 1.00 0.00 H new ATOM 0 HA TYR A 69 9.414 1.271 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.436 -0.762 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.650 -0.544 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.399 -0.350 -0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.579 -2.599 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.342 -1.851 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.522 -4.102 2.794 1.00 0.00 H new ATOM 0 HH TYR A 69 12.499 -4.595 1.944 1.00 0.00 H new ATOM 867 N LEU A 70 6.277 1.990 1.576 1.00 0.00 N ATOM 868 CA LEU A 70 5.126 2.791 1.172 1.00 0.00 C ATOM 869 C LEU A 70 5.231 4.211 1.721 1.00 0.00 C ATOM 870 O LEU A 70 6.194 4.553 2.408 1.00 0.00 O ATOM 871 CB LEU A 70 3.831 2.135 1.662 1.00 0.00 C ATOM 872 CG LEU A 70 3.007 1.414 0.592 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.361 2.417 -0.345 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.873 0.431 -0.189 1.00 0.00 C ATOM 0 H LEU A 70 6.163 1.511 2.469 1.00 0.00 H new ATOM 0 HA LEU A 70 5.112 2.844 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.081 1.419 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.207 2.903 2.119 1.00 0.00 H new ATOM 0 HG LEU A 70 2.219 0.849 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.779 1.888 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.704 3.076 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.135 3.009 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.266 -0.069 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.686 0.970 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.287 -0.311 0.494 1.00 0.00 H new ATOM 884 N GLN A 71 4.230 5.032 1.417 1.00 0.00 N ATOM 885 CA GLN A 71 4.200 6.412 1.879 1.00 0.00 C ATOM 886 C GLN A 71 2.766 6.844 2.177 1.00 0.00 C ATOM 887 O GLN A 71 1.991 7.122 1.262 1.00 0.00 O ATOM 888 CB GLN A 71 4.822 7.341 0.834 1.00 0.00 C ATOM 889 CG GLN A 71 5.635 8.476 1.436 1.00 0.00 C ATOM 890 CD GLN A 71 6.804 7.980 2.264 1.00 0.00 C ATOM 891 OE1 GLN A 71 6.568 7.767 3.554 1.00 0.00 O flip ATOM 892 NE2 GLN A 71 7.907 7.793 1.752 1.00 0.00 N flip ATOM 0 H GLN A 71 3.426 4.762 0.850 1.00 0.00 H new ATOM 0 HA GLN A 71 4.784 6.478 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.463 6.755 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.029 7.761 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.007 9.116 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.987 9.091 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.044 7.969 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.685 7.461 2.323 1.00 0.00 H new ATOM 897 N PRO A 72 2.390 6.899 3.467 1.00 0.00 N ATOM 898 CA PRO A 72 1.042 7.290 3.897 1.00 0.00 C ATOM 899 C PRO A 72 0.595 8.624 3.303 1.00 0.00 C ATOM 900 O PRO A 72 1.418 9.492 3.007 1.00 0.00 O ATOM 901 CB PRO A 72 1.176 7.400 5.425 1.00 0.00 C ATOM 902 CG PRO A 72 2.637 7.436 5.686 1.00 0.00 C ATOM 903 CD PRO A 72 3.235 6.580 4.624 1.00 0.00 C ATOM 0 HA PRO A 72 0.289 6.573 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.687 8.299 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.708 6.551 5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.023 8.454 5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.871 7.054 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.282 6.823 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.193 5.522 4.881 1.00 0.00 H new ATOM 905 N ALA A 73 -0.715 8.778 3.137 1.00 0.00 N ATOM 906 CA ALA A 73 -1.284 10.003 2.585 1.00 0.00 C ATOM 907 C ALA A 73 -2.663 10.275 3.175 1.00 0.00 C ATOM 908 O ALA A 73 -3.422 9.346 3.457 1.00 0.00 O ATOM 909 CB ALA A 73 -1.370 9.914 1.069 1.00 0.00 C ATOM 0 H ALA A 73 -1.405 8.067 3.378 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.627 10.831 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.797 10.836 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.372 9.770 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.003 9.072 0.789 1.00 0.00 H new ATOM 915 N GLY A 74 -2.980 11.552 3.363 1.00 0.00 N ATOM 916 CA GLY A 74 -4.266 11.921 3.924 1.00 0.00 C ATOM 917 C GLY A 74 -4.181 12.220 5.408 1.00 0.00 C ATOM 918 O GLY A 74 -3.098 12.180 5.990 1.00 0.00 O ATOM 0 H GLY A 74 -2.369 12.337 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.651 12.796 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.978 11.112 3.759 1.00 0.00 H new ATOM 922 N ASP A 75 -5.322 12.519 6.018 1.00 0.00 N ATOM 923 CA ASP A 75 -5.370 12.826 7.443 1.00 0.00 C ATOM 924 C ASP A 75 -5.406 11.551 8.280 1.00 0.00 C ATOM 925 O ASP A 75 -4.934 11.530 9.416 1.00 0.00 O ATOM 926 CB ASP A 75 -6.590 13.692 7.759 1.00 0.00 C ATOM 927 CG ASP A 75 -6.229 15.148 7.983 1.00 0.00 C ATOM 928 OD1 ASP A 75 -5.057 15.513 7.750 1.00 0.00 O ATOM 929 OD2 ASP A 75 -7.118 15.925 8.390 1.00 0.00 O ATOM 0 H ASP A 75 -6.227 12.555 5.548 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.465 13.377 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.304 13.621 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.086 13.304 8.648 1.00 0.00 H new ATOM 932 N MET A 76 -5.970 10.491 7.712 1.00 0.00 N ATOM 933 CA MET A 76 -6.069 9.212 8.404 1.00 0.00 C ATOM 934 C MET A 76 -4.688 8.595 8.609 1.00 0.00 C ATOM 935 O MET A 76 -4.271 8.337 9.739 1.00 0.00 O ATOM 936 CB MET A 76 -6.960 8.250 7.616 1.00 0.00 C ATOM 937 CG MET A 76 -7.105 6.884 8.267 1.00 0.00 C ATOM 938 SD MET A 76 -8.812 6.301 8.284 1.00 0.00 S ATOM 939 CE MET A 76 -9.425 7.096 9.768 1.00 0.00 C ATOM 0 H MET A 76 -6.366 10.493 6.772 1.00 0.00 H new ATOM 0 HA MET A 76 -6.515 9.390 9.382 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.948 8.695 7.501 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.548 8.124 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.484 6.164 7.734 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.731 6.932 9.290 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.472 6.832 9.916 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.842 6.763 10.627 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.335 8.177 9.665 1.00 0.00 H new ATOM 945 N SER A 77 -3.988 8.358 7.505 1.00 0.00 N ATOM 946 CA SER A 77 -2.655 7.766 7.550 1.00 0.00 C ATOM 947 C SER A 77 -1.654 8.703 8.220 1.00 0.00 C ATOM 948 O SER A 77 -0.539 8.298 8.549 1.00 0.00 O ATOM 949 CB SER A 77 -2.182 7.426 6.136 1.00 0.00 C ATOM 950 OG SER A 77 -3.279 7.284 5.252 1.00 0.00 O ATOM 0 H SER A 77 -4.323 8.568 6.565 1.00 0.00 H new ATOM 0 HA SER A 77 -2.714 6.852 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.518 8.210 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.604 6.502 6.155 1.00 0.00 H new ATOM 0 HG SER A 77 -3.242 7.986 4.569 1.00 0.00 H new ATOM 954 N LYS A 78 -2.057 9.956 8.420 1.00 0.00 N ATOM 955 CA LYS A 78 -1.189 10.944 9.051 1.00 0.00 C ATOM 956 C LYS A 78 -1.308 10.880 10.570 1.00 0.00 C ATOM 957 O LYS A 78 -0.328 11.083 11.288 1.00 0.00 O ATOM 958 CB LYS A 78 -1.536 12.351 8.558 1.00 0.00 C ATOM 959 CG LYS A 78 -0.648 13.437 9.142 1.00 0.00 C ATOM 960 CD LYS A 78 -0.867 14.771 8.446 1.00 0.00 C ATOM 961 CE LYS A 78 -0.014 15.860 9.068 1.00 0.00 C ATOM 962 NZ LYS A 78 1.125 16.246 8.189 1.00 0.00 N ATOM 0 H LYS A 78 -2.976 10.309 8.155 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.160 10.715 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.458 12.375 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.574 12.569 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.854 13.543 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.397 13.143 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.625 14.676 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.919 15.049 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.632 16.736 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.370 15.516 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.683 16.992 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.729 15.417 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.759 16.599 7.282 1.00 0.00 H new ATOM 968 N SER A 79 -2.513 10.598 11.052 1.00 0.00 N ATOM 969 CA SER A 79 -2.761 10.507 12.486 1.00 0.00 C ATOM 970 C SER A 79 -2.241 9.187 13.046 1.00 0.00 C ATOM 971 O SER A 79 -1.859 9.104 14.212 1.00 0.00 O ATOM 972 CB SER A 79 -4.257 10.645 12.775 1.00 0.00 C ATOM 973 OG SER A 79 -4.575 10.159 14.068 1.00 0.00 O ATOM 0 H SER A 79 -3.334 10.428 10.471 1.00 0.00 H new ATOM 0 HA SER A 79 -2.227 11.322 12.975 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.551 11.692 12.694 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.827 10.095 12.026 1.00 0.00 H new ATOM 0 HG SER A 79 -5.537 10.260 14.228 1.00 0.00 H new ATOM 977 N ALA A 80 -2.231 8.158 12.204 1.00 0.00 N ATOM 978 CA ALA A 80 -1.760 6.838 12.612 1.00 0.00 C ATOM 979 C ALA A 80 -0.273 6.856 12.953 1.00 0.00 C ATOM 980 O ALA A 80 0.166 6.185 13.888 1.00 0.00 O ATOM 981 CB ALA A 80 -2.037 5.821 11.518 1.00 0.00 C ATOM 0 H ALA A 80 -2.544 8.213 11.235 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.305 6.552 13.512 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.681 4.840 11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.109 5.774 11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.520 6.118 10.606 1.00 0.00 H new ATOM 1067 N PRO A 88 0.644 0.327 11.505 1.00 0.00 N ATOM 1068 CA PRO A 88 0.981 1.237 10.405 1.00 0.00 C ATOM 1069 C PRO A 88 0.050 1.073 9.206 1.00 0.00 C ATOM 1070 O PRO A 88 -0.857 1.881 9.002 1.00 0.00 O ATOM 1071 CB PRO A 88 2.415 0.843 10.034 1.00 0.00 C ATOM 1072 CG PRO A 88 2.571 -0.559 10.517 1.00 0.00 C ATOM 1073 CD PRO A 88 1.693 -0.684 11.730 1.00 0.00 C ATOM 0 HA PRO A 88 0.879 2.282 10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.576 0.909 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.140 1.505 10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.275 -1.271 9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.611 -0.772 10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.272 -1.686 11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.247 -0.489 12.648 1.00 0.00 H new ATOM 1075 N PHE A 89 0.279 0.029 8.416 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.541 -0.233 7.239 1.00 0.00 C ATOM 1077 C PHE A 89 -1.974 -0.572 7.636 1.00 0.00 C ATOM 1078 O PHE A 89 -2.216 -1.544 8.350 1.00 0.00 O ATOM 1079 CB PHE A 89 0.058 -1.375 6.418 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.387 -1.381 4.984 1.00 0.00 C ATOM 1081 CD1 PHE A 89 0.312 -0.666 4.025 1.00 0.00 C ATOM 1082 CD2 PHE A 89 -1.503 -2.104 4.594 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -0.095 -0.669 2.706 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -1.915 -2.111 3.276 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.210 -1.393 2.330 1.00 0.00 C ATOM 0 H PHE A 89 1.025 -0.649 8.570 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.558 0.672 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.145 -1.305 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.215 -2.325 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.185 -0.100 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.057 -2.669 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.458 -0.106 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.787 -2.677 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.530 -1.397 1.298 1.00 0.00 H new ATOM 1093 N LEU A 90 -2.918 0.238 7.167 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.328 0.026 7.472 1.00 0.00 C ATOM 1095 C LEU A 90 -5.054 -0.591 6.281 1.00 0.00 C ATOM 1096 O LEU A 90 -4.810 -0.219 5.133 1.00 0.00 O ATOM 1097 CB LEU A 90 -4.993 1.348 7.859 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.565 1.920 9.211 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -4.903 3.400 9.293 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.230 1.157 10.346 1.00 0.00 C ATOM 0 H LEU A 90 -2.732 1.047 6.574 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.392 -0.664 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.777 2.085 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.073 1.204 7.869 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.485 1.808 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.592 3.791 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.382 3.937 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.978 3.535 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.914 1.577 11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.313 1.239 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.940 0.107 10.298 1.00 0.00 H new ATOM 1110 N ASP A 91 -5.949 -1.533 6.564 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.716 -2.200 5.517 1.00 0.00 C ATOM 1112 C ASP A 91 -8.017 -1.451 5.241 1.00 0.00 C ATOM 1113 O ASP A 91 -9.054 -2.061 4.978 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.014 -3.647 5.915 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.931 -3.744 7.122 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.790 -2.910 8.042 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.788 -4.650 7.145 1.00 0.00 O ATOM 0 H ASP A 91 -6.161 -1.852 7.510 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.119 -2.202 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.473 -4.165 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.077 -4.160 6.133 1.00 0.00 H new ATOM 1120 N ASN A 92 -7.952 -0.125 5.306 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.120 0.713 5.069 1.00 0.00 C ATOM 1122 C ASN A 92 -8.917 1.598 3.839 1.00 0.00 C ATOM 1123 O ASN A 92 -7.840 2.162 3.645 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.403 1.582 6.296 1.00 0.00 C ATOM 1125 CG ASN A 92 -10.881 1.878 6.467 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -11.430 2.761 5.808 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -11.533 1.137 7.357 1.00 0.00 N ATOM 0 H ASN A 92 -7.100 0.393 5.522 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.974 0.061 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.031 1.078 7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.855 2.520 6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.529 1.290 7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.037 0.416 7.881 1.00 0.00 H new ATOM 1132 N PRO A 93 -9.953 1.734 2.988 1.00 0.00 N ATOM 1133 CA PRO A 93 -9.874 2.560 1.776 1.00 0.00 C ATOM 1134 C PRO A 93 -9.765 4.047 2.097 1.00 0.00 C ATOM 1135 O PRO A 93 -9.483 4.862 1.218 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.188 2.263 1.050 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.123 1.810 2.117 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.278 1.099 3.137 1.00 0.00 C ATOM 0 HA PRO A 93 -8.988 2.330 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.568 3.150 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.054 1.494 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.644 2.657 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.885 1.145 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.673 1.226 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.234 0.027 2.945 1.00 0.00 H new ATOM 1140 N ASP A 94 -9.987 4.394 3.362 1.00 0.00 N ATOM 1141 CA ASP A 94 -9.911 5.781 3.801 1.00 0.00 C ATOM 1142 C ASP A 94 -8.464 6.266 3.813 1.00 0.00 C ATOM 1143 O ASP A 94 -8.164 7.372 3.362 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.524 5.932 5.193 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.011 6.221 5.141 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -12.768 5.353 4.661 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.419 7.318 5.581 1.00 0.00 O ATOM 0 H ASP A 94 -10.221 3.731 4.101 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.476 6.392 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.354 5.019 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.018 6.738 5.724 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.572 5.429 4.333 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.155 5.765 4.403 1.00 0.00 C ATOM 1152 C ALA A 95 -5.481 5.574 3.049 1.00 0.00 C ATOM 1153 O ALA A 95 -5.695 4.563 2.379 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.467 4.918 5.463 1.00 0.00 C ATOM 0 H ALA A 95 -7.806 4.512 4.713 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.066 6.816 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.409 5.178 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.927 5.106 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.571 3.863 5.210 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.670 6.548 2.650 1.00 0.00 N ATOM 1161 CA PHE A 96 -3.972 6.481 1.372 1.00 0.00 C ATOM 1162 C PHE A 96 -2.535 6.011 1.550 1.00 0.00 C ATOM 1163 O PHE A 96 -1.912 6.254 2.583 1.00 0.00 O ATOM 1164 CB PHE A 96 -3.979 7.843 0.680 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.351 8.401 0.443 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.332 7.634 -0.168 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.657 9.696 0.825 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.593 8.151 -0.391 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -6.915 10.218 0.605 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.884 9.445 -0.004 1.00 0.00 C ATOM 0 H PHE A 96 -4.480 7.391 3.192 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.501 5.758 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.411 8.549 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.464 7.756 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.107 6.622 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.902 10.305 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.350 7.545 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.142 11.229 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.869 9.852 -0.178 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.017 5.342 0.526 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.651 4.834 0.541 1.00 0.00 C ATOM 1180 C TYR A 97 -0.085 4.809 -0.875 1.00 0.00 C ATOM 1181 O TYR A 97 -0.451 3.953 -1.675 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.610 3.423 1.137 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.029 3.355 2.588 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.202 3.840 3.595 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.252 2.803 2.954 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.583 3.778 4.922 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.638 2.738 4.278 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.801 3.228 5.257 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.183 3.164 6.579 1.00 0.00 O ATOM 0 H TYR A 97 -2.529 5.138 -0.332 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.045 5.496 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.260 2.773 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.402 3.029 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.753 4.272 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -2.911 2.419 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.071 4.159 5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.591 2.305 4.545 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.503 2.681 7.093 1.00 0.00 H new ATOM 1197 N TYR A 98 0.801 5.754 -1.182 1.00 0.00 N ATOM 1198 CA TYR A 98 1.404 5.827 -2.510 1.00 0.00 C ATOM 1199 C TYR A 98 2.862 5.383 -2.475 1.00 0.00 C ATOM 1200 O TYR A 98 3.396 5.056 -1.413 1.00 0.00 O ATOM 1201 CB TYR A 98 1.304 7.250 -3.070 1.00 0.00 C ATOM 1202 CG TYR A 98 2.090 8.278 -2.287 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.542 8.894 -1.171 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.377 8.635 -2.667 1.00 0.00 C ATOM 1205 CE1 TYR A 98 2.253 9.836 -0.454 1.00 0.00 C ATOM 1206 CE2 TYR A 98 4.096 9.577 -1.956 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.530 10.174 -0.851 1.00 0.00 C ATOM 1208 OH TYR A 98 4.242 11.112 -0.138 1.00 0.00 O ATOM 0 H TYR A 98 1.116 6.476 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 98 0.853 5.150 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.655 7.248 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.256 7.548 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.542 8.632 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.824 8.169 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.812 10.305 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.096 9.844 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 98 5.124 11.235 -0.548 1.00 0.00 H new ATOM 1216 N PHE A 99 3.502 5.377 -3.640 1.00 0.00 N ATOM 1217 CA PHE A 99 4.898 4.974 -3.743 1.00 0.00 C ATOM 1218 C PHE A 99 5.819 6.193 -3.742 1.00 0.00 C ATOM 1219 O PHE A 99 5.634 7.118 -4.532 1.00 0.00 O ATOM 1220 CB PHE A 99 5.123 4.151 -5.013 1.00 0.00 C ATOM 1221 CG PHE A 99 4.655 2.725 -4.902 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.994 1.951 -3.803 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.875 2.161 -5.899 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.564 0.642 -3.701 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.442 0.853 -5.802 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.786 0.093 -4.702 1.00 0.00 C ATOM 0 H PHE A 99 3.075 5.647 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 99 5.137 4.360 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.604 4.631 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.186 4.157 -5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.601 2.376 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.603 2.751 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.836 0.049 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.835 0.425 -6.586 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.447 -0.930 -4.624 1.00 0.00 H new