USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 83 MET CE :methyl -165:sc= -1.68 (180deg=-2.32!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.709 K(o=1.9,f=-4.7) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -63:sc= 1.3 USER MOD Single : A 24 THR OG1 : rot 71:sc= 0.5 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.554 F(o=-1.3,f=0.55) USER MOD Single : A 31 ASN : amide:sc= -0.0204 K(o=-0.02,f=-0.9) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.185 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0672 X(o=-0.067,f=-0.24) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.0063) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -158:sc= 0 (180deg=-0.55) USER MOD Single : A 69 THR OG1 : rot -80:sc= 1.23 USER MOD Single : A 82 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 2.135 -0.475 -4.555 1.00 1.12 N ATOM 30 CA CYS A 16 2.555 0.934 -4.589 1.00 1.08 C ATOM 31 C CYS A 16 3.613 1.169 -5.686 1.00 1.02 C ATOM 32 O CYS A 16 4.817 1.052 -5.449 1.00 0.94 O ATOM 33 CB CYS A 16 3.011 1.339 -3.180 1.00 1.08 C ATOM 34 SG CYS A 16 1.627 1.866 -2.136 1.00 0.96 S ATOM 0 HA CYS A 16 1.722 1.581 -4.863 1.00 1.08 H new ATOM 0 HB2 CYS A 16 3.519 0.498 -2.709 1.00 1.08 H new ATOM 0 HB3 CYS A 16 3.737 2.149 -3.254 1.00 1.08 H new ATOM 39 N LEU A 17 3.156 1.471 -6.909 1.00 1.18 N ATOM 40 CA LEU A 17 3.984 1.574 -8.121 1.00 1.19 C ATOM 41 C LEU A 17 4.997 2.724 -8.056 1.00 1.15 C ATOM 42 O LEU A 17 6.123 2.558 -8.527 1.00 1.12 O ATOM 43 CB LEU A 17 3.092 1.773 -9.369 1.00 1.42 C ATOM 44 CG LEU A 17 2.358 0.549 -9.948 1.00 1.63 C ATOM 45 CD1 LEU A 17 3.317 -0.569 -10.355 1.00 2.05 C ATOM 46 CD2 LEU A 17 1.315 -0.028 -8.995 1.00 2.28 C ATOM 0 H LEU A 17 2.169 1.656 -7.089 1.00 1.18 H new ATOM 0 HA LEU A 17 4.539 0.638 -8.190 1.00 1.19 H new ATOM 0 HB2 LEU A 17 2.342 2.525 -9.124 1.00 1.42 H new ATOM 0 HB3 LEU A 17 3.716 2.191 -10.159 1.00 1.42 H new ATOM 0 HG LEU A 17 1.850 0.929 -10.834 1.00 1.63 H new ATOM 0 HD11 LEU A 17 2.748 -1.408 -10.757 1.00 2.05 H new ATOM 0 HD12 LEU A 17 4.005 -0.199 -11.116 1.00 2.05 H new ATOM 0 HD13 LEU A 17 3.883 -0.898 -9.483 1.00 2.05 H new ATOM 0 HD21 LEU A 17 0.833 -0.888 -9.460 1.00 2.28 H new ATOM 0 HD22 LEU A 17 1.800 -0.341 -8.070 1.00 2.28 H new ATOM 0 HD23 LEU A 17 0.566 0.732 -8.772 1.00 2.28 H new ATOM 58 N SER A 18 4.618 3.862 -7.471 1.00 1.26 N ATOM 59 CA SER A 18 5.497 5.033 -7.339 1.00 1.37 C ATOM 60 C SER A 18 6.555 4.862 -6.262 1.00 1.12 C ATOM 61 O SER A 18 7.719 5.128 -6.529 1.00 1.17 O ATOM 62 CB SER A 18 4.692 6.261 -6.973 1.00 1.71 C ATOM 63 OG SER A 18 4.010 6.760 -8.107 1.00 2.32 O ATOM 0 H SER A 18 3.689 4.001 -7.073 1.00 1.26 H new ATOM 0 HA SER A 18 5.985 5.143 -8.308 1.00 1.37 H new ATOM 0 HB2 SER A 18 3.976 6.014 -6.190 1.00 1.71 H new ATOM 0 HB3 SER A 18 5.352 7.029 -6.570 1.00 1.71 H new ATOM 0 HG SER A 18 3.492 7.553 -7.855 1.00 2.32 H new ATOM 69 N GLU A 19 6.199 4.375 -5.069 1.00 1.01 N ATOM 70 CA GLU A 19 7.199 4.049 -4.044 1.00 0.88 C ATOM 71 C GLU A 19 8.125 2.925 -4.535 1.00 0.70 C ATOM 72 O GLU A 19 9.329 2.928 -4.266 1.00 0.67 O ATOM 73 CB GLU A 19 6.494 3.665 -2.731 1.00 0.97 C ATOM 74 CG GLU A 19 7.322 4.007 -1.490 1.00 1.42 C ATOM 75 CD GLU A 19 7.450 5.526 -1.318 1.00 1.47 C ATOM 76 OE1 GLU A 19 6.533 6.156 -0.739 1.00 1.75 O ATOM 77 OE2 GLU A 19 8.462 6.132 -1.728 1.00 2.47 O ATOM 0 H GLU A 19 5.234 4.198 -4.789 1.00 1.01 H new ATOM 0 HA GLU A 19 7.819 4.925 -3.854 1.00 0.88 H new ATOM 0 HB2 GLU A 19 5.535 4.180 -2.675 1.00 0.97 H new ATOM 0 HB3 GLU A 19 6.282 2.596 -2.737 1.00 0.97 H new ATOM 0 HG2 GLU A 19 6.854 3.575 -0.605 1.00 1.42 H new ATOM 0 HG3 GLU A 19 8.313 3.562 -1.575 1.00 1.42 H new ATOM 84 N SER A 20 7.582 2.016 -5.356 1.00 0.68 N ATOM 85 CA SER A 20 8.398 1.003 -6.035 1.00 0.67 C ATOM 86 C SER A 20 9.391 1.655 -7.010 1.00 0.74 C ATOM 87 O SER A 20 10.590 1.414 -6.899 1.00 0.82 O ATOM 88 CB SER A 20 7.520 -0.037 -6.732 1.00 0.79 C ATOM 89 OG SER A 20 8.330 -1.056 -7.282 1.00 1.68 O ATOM 0 H SER A 20 6.585 1.962 -5.565 1.00 0.68 H new ATOM 0 HA SER A 20 8.982 0.479 -5.278 1.00 0.67 H new ATOM 0 HB2 SER A 20 6.814 -0.465 -6.021 1.00 0.79 H new ATOM 0 HB3 SER A 20 6.933 0.438 -7.518 1.00 0.79 H new ATOM 0 HG SER A 20 7.763 -1.721 -7.726 1.00 1.68 H new ATOM 95 N ASP A 21 8.946 2.560 -7.885 1.00 0.85 N ATOM 96 CA ASP A 21 9.805 3.295 -8.825 1.00 0.96 C ATOM 97 C ASP A 21 10.817 4.227 -8.127 1.00 0.89 C ATOM 98 O ASP A 21 11.962 4.339 -8.560 1.00 0.94 O ATOM 99 CB ASP A 21 8.901 4.075 -9.786 1.00 1.13 C ATOM 100 CG ASP A 21 9.680 4.872 -10.828 1.00 1.49 C ATOM 101 OD1 ASP A 21 10.362 4.275 -11.694 1.00 2.31 O ATOM 102 OD2 ASP A 21 9.529 6.115 -10.877 1.00 2.19 O ATOM 0 H ASP A 21 7.960 2.809 -7.964 1.00 0.85 H new ATOM 0 HA ASP A 21 10.414 2.574 -9.371 1.00 0.96 H new ATOM 0 HB2 ASP A 21 8.234 3.378 -10.294 1.00 1.13 H new ATOM 0 HB3 ASP A 21 8.273 4.756 -9.212 1.00 1.13 H new ATOM 107 N ALA A 22 10.448 4.841 -7.005 1.00 0.85 N ATOM 108 CA ALA A 22 11.344 5.659 -6.192 1.00 0.85 C ATOM 109 C ALA A 22 12.458 4.814 -5.537 1.00 0.76 C ATOM 110 O ALA A 22 13.621 5.234 -5.514 1.00 0.84 O ATOM 111 CB ALA A 22 10.487 6.407 -5.169 1.00 0.89 C ATOM 0 H ALA A 22 9.502 4.783 -6.629 1.00 0.85 H new ATOM 0 HA ALA A 22 11.871 6.380 -6.817 1.00 0.85 H new ATOM 0 HB1 ALA A 22 11.127 7.029 -4.544 1.00 0.89 H new ATOM 0 HB2 ALA A 22 9.766 7.037 -5.690 1.00 0.89 H new ATOM 0 HB3 ALA A 22 9.957 5.689 -4.544 1.00 0.89 H new ATOM 117 N SER A 23 12.137 3.586 -5.103 1.00 0.65 N ATOM 118 CA SER A 23 13.147 2.590 -4.710 1.00 0.62 C ATOM 119 C SER A 23 14.016 2.137 -5.895 1.00 0.68 C ATOM 120 O SER A 23 15.233 2.055 -5.751 1.00 0.73 O ATOM 121 CB SER A 23 12.504 1.391 -3.999 1.00 0.64 C ATOM 122 OG SER A 23 11.979 0.439 -4.901 1.00 1.46 O ATOM 0 H SER A 23 11.176 3.256 -5.015 1.00 0.65 H new ATOM 0 HA SER A 23 13.813 3.082 -4.001 1.00 0.62 H new ATOM 0 HB2 SER A 23 13.247 0.911 -3.362 1.00 0.64 H new ATOM 0 HB3 SER A 23 11.706 1.746 -3.347 1.00 0.64 H new ATOM 0 HG SER A 23 11.259 0.848 -5.426 1.00 1.46 H new ATOM 128 N THR A 24 13.433 1.930 -7.085 1.00 0.76 N ATOM 129 CA THR A 24 14.149 1.577 -8.329 1.00 0.93 C ATOM 130 C THR A 24 15.184 2.645 -8.685 1.00 1.06 C ATOM 131 O THR A 24 16.324 2.314 -9.019 1.00 1.16 O ATOM 132 CB THR A 24 13.144 1.398 -9.490 1.00 1.03 C ATOM 133 OG1 THR A 24 12.242 0.365 -9.150 1.00 1.02 O ATOM 134 CG2 THR A 24 13.771 1.007 -10.824 1.00 1.19 C ATOM 0 H THR A 24 12.424 2.004 -7.217 1.00 0.76 H new ATOM 0 HA THR A 24 14.674 0.636 -8.166 1.00 0.93 H new ATOM 0 HB THR A 24 12.672 2.372 -9.621 1.00 1.03 H new ATOM 0 HG1 THR A 24 11.641 0.676 -8.441 1.00 1.02 H new ATOM 0 HG21 THR A 24 12.990 0.904 -11.577 1.00 1.19 H new ATOM 0 HG22 THR A 24 14.476 1.778 -11.135 1.00 1.19 H new ATOM 0 HG23 THR A 24 14.297 0.058 -10.715 1.00 1.19 H new ATOM 142 N ARG A 25 14.812 3.921 -8.529 1.00 1.09 N ATOM 143 CA ARG A 25 15.652 5.106 -8.758 1.00 1.22 C ATOM 144 C ARG A 25 16.711 5.323 -7.681 1.00 1.14 C ATOM 145 O ARG A 25 17.827 5.706 -8.027 1.00 1.24 O ATOM 146 CB ARG A 25 14.737 6.328 -8.881 1.00 1.35 C ATOM 147 CG ARG A 25 13.964 6.297 -10.206 1.00 1.71 C ATOM 148 CD ARG A 25 12.784 7.262 -10.138 1.00 1.87 C ATOM 149 NE ARG A 25 12.060 7.308 -11.414 1.00 2.55 N ATOM 150 CZ ARG A 25 12.348 8.061 -12.457 1.00 3.38 C ATOM 151 NH1 ARG A 25 13.381 8.851 -12.505 1.00 4.21 N ATOM 152 NH2 ARG A 25 11.585 8.039 -13.505 1.00 4.48 N ATOM 0 H ARG A 25 13.871 4.169 -8.225 1.00 1.09 H new ATOM 0 HA ARG A 25 16.212 4.948 -9.680 1.00 1.22 H new ATOM 0 HB2 ARG A 25 14.036 6.349 -8.046 1.00 1.35 H new ATOM 0 HB3 ARG A 25 15.331 7.240 -8.822 1.00 1.35 H new ATOM 0 HG2 ARG A 25 14.624 6.572 -11.029 1.00 1.71 H new ATOM 0 HG3 ARG A 25 13.608 5.286 -10.407 1.00 1.71 H new ATOM 0 HD2 ARG A 25 12.105 6.954 -9.343 1.00 1.87 H new ATOM 0 HD3 ARG A 25 13.141 8.260 -9.884 1.00 1.87 H new ATOM 0 HE ARG A 25 11.250 6.694 -11.503 1.00 2.55 H new ATOM 0 HH11 ARG A 25 14.016 8.909 -11.709 1.00 4.21 H new ATOM 0 HH12 ARG A 25 13.556 9.412 -13.339 1.00 4.21 H new ATOM 0 HH21 ARG A 25 10.761 7.439 -13.523 1.00 4.48 H new ATOM 0 HH22 ARG A 25 11.809 8.622 -14.311 1.00 4.48 H new ATOM 166 N CYS A 26 16.407 5.012 -6.416 1.00 0.99 N ATOM 167 CA CYS A 26 17.403 4.925 -5.339 1.00 0.95 C ATOM 168 C CYS A 26 18.476 3.886 -5.690 1.00 0.95 C ATOM 169 O CYS A 26 19.669 4.172 -5.712 1.00 1.06 O ATOM 170 CB CYS A 26 16.716 4.572 -4.003 1.00 0.82 C ATOM 171 SG CYS A 26 17.825 3.862 -2.748 1.00 0.82 S ATOM 0 H CYS A 26 15.456 4.812 -6.107 1.00 0.99 H new ATOM 0 HA CYS A 26 17.888 5.895 -5.229 1.00 0.95 H new ATOM 0 HB2 CYS A 26 16.257 5.473 -3.596 1.00 0.82 H new ATOM 0 HB3 CYS A 26 15.910 3.865 -4.199 1.00 0.82 H new ATOM 176 N LEU A 27 18.049 2.671 -6.018 1.00 0.89 N ATOM 177 CA LEU A 27 18.925 1.561 -6.380 1.00 0.95 C ATOM 178 C LEU A 27 19.825 1.894 -7.576 1.00 1.16 C ATOM 179 O LEU A 27 21.025 1.613 -7.540 1.00 1.33 O ATOM 180 CB LEU A 27 18.012 0.356 -6.635 1.00 0.94 C ATOM 181 CG LEU A 27 17.818 -0.517 -5.388 1.00 0.83 C ATOM 182 CD1 LEU A 27 17.610 0.168 -4.038 1.00 0.69 C ATOM 183 CD2 LEU A 27 16.640 -1.465 -5.603 1.00 0.91 C ATOM 0 H LEU A 27 17.060 2.424 -6.040 1.00 0.89 H new ATOM 0 HA LEU A 27 19.626 1.340 -5.575 1.00 0.95 H new ATOM 0 HB2 LEU A 27 17.040 0.709 -6.981 1.00 0.94 H new ATOM 0 HB3 LEU A 27 18.434 -0.251 -7.436 1.00 0.94 H new ATOM 0 HG LEU A 27 18.787 -1.009 -5.301 1.00 0.83 H new ATOM 0 HD11 LEU A 27 17.489 -0.587 -3.262 1.00 0.69 H new ATOM 0 HD12 LEU A 27 18.476 0.789 -3.808 1.00 0.69 H new ATOM 0 HD13 LEU A 27 16.717 0.791 -4.080 1.00 0.69 H new ATOM 0 HD21 LEU A 27 16.504 -2.084 -4.716 1.00 0.91 H new ATOM 0 HD22 LEU A 27 15.735 -0.885 -5.783 1.00 0.91 H new ATOM 0 HD23 LEU A 27 16.839 -2.103 -6.464 1.00 0.91 H new ATOM 195 N ASP A 28 19.250 2.530 -8.591 1.00 1.18 N ATOM 196 CA ASP A 28 19.939 3.117 -9.752 1.00 1.35 C ATOM 197 C ASP A 28 20.905 4.270 -9.391 1.00 1.40 C ATOM 198 O ASP A 28 21.935 4.424 -10.048 1.00 1.55 O ATOM 199 CB ASP A 28 18.855 3.556 -10.751 1.00 1.46 C ATOM 200 CG ASP A 28 19.368 4.397 -11.921 1.00 1.79 C ATOM 201 OD1 ASP A 28 20.150 3.885 -12.758 1.00 2.34 O ATOM 202 OD2 ASP A 28 18.964 5.580 -12.011 1.00 2.75 O ATOM 0 H ASP A 28 18.239 2.661 -8.636 1.00 1.18 H new ATOM 0 HA ASP A 28 20.592 2.365 -10.195 1.00 1.35 H new ATOM 0 HB2 ASP A 28 18.364 2.667 -11.148 1.00 1.46 H new ATOM 0 HB3 ASP A 28 18.096 4.127 -10.216 1.00 1.46 H new ATOM 207 N GLU A 29 20.639 5.059 -8.347 1.00 1.32 N ATOM 208 CA GLU A 29 21.560 6.061 -7.799 1.00 1.40 C ATOM 209 C GLU A 29 22.801 5.464 -7.113 1.00 1.38 C ATOM 210 O GLU A 29 23.915 5.944 -7.335 1.00 1.50 O ATOM 211 CB GLU A 29 20.800 6.937 -6.782 1.00 1.38 C ATOM 212 CG GLU A 29 20.535 8.351 -7.295 1.00 1.54 C ATOM 213 CD GLU A 29 21.810 9.188 -7.458 1.00 2.02 C ATOM 214 OE1 GLU A 29 22.637 9.255 -6.515 1.00 2.70 O ATOM 215 OE2 GLU A 29 22.009 9.772 -8.549 1.00 2.91 O ATOM 0 H GLU A 29 19.752 5.018 -7.845 1.00 1.32 H new ATOM 0 HA GLU A 29 21.923 6.643 -8.646 1.00 1.40 H new ATOM 0 HB2 GLU A 29 19.850 6.461 -6.538 1.00 1.38 H new ATOM 0 HB3 GLU A 29 21.375 6.993 -5.858 1.00 1.38 H new ATOM 0 HG2 GLU A 29 20.023 8.291 -8.255 1.00 1.54 H new ATOM 0 HG3 GLU A 29 19.861 8.859 -6.606 1.00 1.54 H new ATOM 222 N ASN A 30 22.627 4.472 -6.234 1.00 1.26 N ATOM 223 CA ASN A 30 23.622 4.112 -5.216 1.00 1.32 C ATOM 224 C ASN A 30 24.001 2.612 -5.198 1.00 1.37 C ATOM 225 O ASN A 30 23.865 1.957 -4.163 1.00 1.64 O ATOM 226 CB ASN A 30 23.130 4.663 -3.855 1.00 1.29 C ATOM 227 CG ASN A 30 21.688 4.325 -3.518 1.00 1.11 C ATOM 228 OD1 ASN A 30 21.297 3.085 -3.699 1.00 1.14 O flip ATOM 229 ND2 ASN A 30 20.905 5.172 -3.110 1.00 1.04 N flip ATOM 0 H ASN A 30 21.788 3.893 -6.208 1.00 1.26 H new ATOM 0 HA ASN A 30 24.574 4.580 -5.466 1.00 1.32 H new ATOM 0 HB2 ASN A 30 23.774 4.274 -3.066 1.00 1.29 H new ATOM 0 HB3 ASN A 30 23.245 5.747 -3.854 1.00 1.29 H new ATOM 0 HD21 ASN A 30 21.219 6.133 -2.973 1.00 1.04 H new ATOM 0 HD22 ASN A 30 19.938 4.917 -2.907 1.00 1.04 H new ATOM 236 N ASN A 31 24.457 2.042 -6.319 1.00 1.31 N ATOM 237 CA ASN A 31 24.967 0.657 -6.415 1.00 1.39 C ATOM 238 C ASN A 31 24.058 -0.407 -5.740 1.00 1.35 C ATOM 239 O ASN A 31 24.522 -1.236 -4.951 1.00 1.45 O ATOM 240 CB ASN A 31 26.438 0.603 -5.936 1.00 1.55 C ATOM 241 CG ASN A 31 27.171 -0.664 -6.360 1.00 2.36 C ATOM 242 OD1 ASN A 31 26.721 -1.431 -7.202 1.00 3.00 O ATOM 243 ND2 ASN A 31 28.327 -0.939 -5.811 1.00 3.09 N ATOM 0 H ASN A 31 24.485 2.538 -7.210 1.00 1.31 H new ATOM 0 HA ASN A 31 24.940 0.375 -7.468 1.00 1.39 H new ATOM 0 HB2 ASN A 31 26.971 1.469 -6.328 1.00 1.55 H new ATOM 0 HB3 ASN A 31 26.461 0.679 -4.849 1.00 1.55 H new ATOM 0 HD21 ASN A 31 28.835 -1.779 -6.087 1.00 3.09 H new ATOM 0 HD22 ASN A 31 28.719 -0.313 -5.108 1.00 3.09 H new ATOM 250 N TYR A 32 22.750 -0.346 -6.014 1.00 1.30 N ATOM 251 CA TYR A 32 21.723 -1.253 -5.482 1.00 1.27 C ATOM 252 C TYR A 32 21.647 -1.315 -3.940 1.00 1.24 C ATOM 253 O TYR A 32 21.845 -2.364 -3.329 1.00 1.54 O ATOM 254 CB TYR A 32 21.851 -2.635 -6.144 1.00 1.55 C ATOM 255 CG TYR A 32 20.632 -3.526 -5.988 1.00 1.85 C ATOM 256 CD1 TYR A 32 19.478 -3.253 -6.746 1.00 1.86 C ATOM 257 CD2 TYR A 32 20.659 -4.647 -5.135 1.00 3.23 C ATOM 258 CE1 TYR A 32 18.373 -4.121 -6.688 1.00 2.14 C ATOM 259 CE2 TYR A 32 19.553 -5.517 -5.073 1.00 3.72 C ATOM 260 CZ TYR A 32 18.410 -5.261 -5.858 1.00 2.82 C ATOM 261 OH TYR A 32 17.353 -6.112 -5.813 1.00 3.40 O ATOM 0 H TYR A 32 22.362 0.363 -6.636 1.00 1.30 H new ATOM 0 HA TYR A 32 20.756 -0.829 -5.753 1.00 1.27 H new ATOM 0 HB2 TYR A 32 22.050 -2.497 -7.207 1.00 1.55 H new ATOM 0 HB3 TYR A 32 22.715 -3.147 -5.721 1.00 1.55 H new ATOM 0 HD1 TYR A 32 19.441 -2.375 -7.374 1.00 1.86 H new ATOM 0 HD2 TYR A 32 21.530 -4.840 -4.527 1.00 3.23 H new ATOM 0 HE1 TYR A 32 17.494 -3.914 -7.280 1.00 2.14 H new ATOM 0 HE2 TYR A 32 19.580 -6.380 -4.424 1.00 3.72 H new ATOM 0 HH TYR A 32 17.548 -6.844 -5.191 1.00 3.40 H new ATOM 271 N ASP A 33 21.350 -0.191 -3.276 1.00 1.11 N ATOM 272 CA ASP A 33 21.300 -0.108 -1.805 1.00 1.19 C ATOM 273 C ASP A 33 19.935 -0.542 -1.228 1.00 0.92 C ATOM 274 O ASP A 33 19.215 0.223 -0.579 1.00 0.88 O ATOM 275 CB ASP A 33 21.795 1.252 -1.290 1.00 1.48 C ATOM 276 CG ASP A 33 22.328 1.202 0.140 1.00 1.78 C ATOM 277 OD1 ASP A 33 22.059 0.222 0.879 1.00 2.00 O ATOM 278 OD2 ASP A 33 23.074 2.139 0.515 1.00 2.74 O ATOM 0 H ASP A 33 21.136 0.691 -3.742 1.00 1.11 H new ATOM 0 HA ASP A 33 22.007 -0.842 -1.418 1.00 1.19 H new ATOM 0 HB2 ASP A 33 22.581 1.618 -1.950 1.00 1.48 H new ATOM 0 HB3 ASP A 33 20.977 1.971 -1.340 1.00 1.48 H new ATOM 283 N ARG A 34 19.570 -1.800 -1.500 1.00 0.91 N ATOM 284 CA ARG A 34 18.360 -2.491 -1.033 1.00 0.86 C ATOM 285 C ARG A 34 18.209 -2.539 0.502 1.00 0.93 C ATOM 286 O ARG A 34 17.098 -2.761 0.983 1.00 0.91 O ATOM 287 CB ARG A 34 18.375 -3.885 -1.699 1.00 1.22 C ATOM 288 CG ARG A 34 17.063 -4.645 -1.488 1.00 2.01 C ATOM 289 CD ARG A 34 16.993 -5.995 -2.208 1.00 2.29 C ATOM 290 NE ARG A 34 17.883 -6.995 -1.591 1.00 2.69 N ATOM 291 CZ ARG A 34 17.861 -8.297 -1.805 1.00 3.38 C ATOM 292 NH1 ARG A 34 17.017 -8.879 -2.602 1.00 3.79 N ATOM 293 NH2 ARG A 34 18.696 -9.094 -1.215 1.00 4.46 N ATOM 0 H ARG A 34 20.147 -2.401 -2.089 1.00 0.91 H new ATOM 0 HA ARG A 34 17.473 -1.932 -1.330 1.00 0.86 H new ATOM 0 HB2 ARG A 34 18.559 -3.773 -2.767 1.00 1.22 H new ATOM 0 HB3 ARG A 34 19.200 -4.470 -1.293 1.00 1.22 H new ATOM 0 HG2 ARG A 34 16.919 -4.808 -0.420 1.00 2.01 H new ATOM 0 HG3 ARG A 34 16.237 -4.021 -1.829 1.00 2.01 H new ATOM 0 HD2 ARG A 34 15.967 -6.363 -2.191 1.00 2.29 H new ATOM 0 HD3 ARG A 34 17.267 -5.863 -3.255 1.00 2.29 H new ATOM 0 HE ARG A 34 18.583 -6.647 -0.936 1.00 2.69 H new ATOM 0 HH11 ARG A 34 16.323 -8.324 -3.103 1.00 3.79 H new ATOM 0 HH12 ARG A 34 17.049 -9.891 -2.727 1.00 3.79 H new ATOM 0 HH21 ARG A 34 19.390 -8.718 -0.569 1.00 4.46 H new ATOM 0 HH22 ARG A 34 18.659 -10.097 -1.397 1.00 4.46 H new ATOM 307 N GLU A 35 19.274 -2.264 1.260 1.00 1.12 N ATOM 308 CA GLU A 35 19.249 -2.062 2.720 1.00 1.30 C ATOM 309 C GLU A 35 18.814 -0.635 3.108 1.00 1.29 C ATOM 310 O GLU A 35 17.810 -0.478 3.811 1.00 1.40 O ATOM 311 CB GLU A 35 20.607 -2.424 3.358 1.00 1.67 C ATOM 312 CG GLU A 35 20.949 -3.915 3.189 1.00 1.85 C ATOM 313 CD GLU A 35 22.280 -4.348 3.826 1.00 2.45 C ATOM 314 OE1 GLU A 35 23.091 -3.516 4.300 1.00 3.70 O ATOM 315 OE2 GLU A 35 22.534 -5.576 3.868 1.00 2.47 O ATOM 0 H GLU A 35 20.210 -2.172 0.866 1.00 1.12 H new ATOM 0 HA GLU A 35 18.496 -2.741 3.119 1.00 1.30 H new ATOM 0 HB2 GLU A 35 21.392 -1.819 2.905 1.00 1.67 H new ATOM 0 HB3 GLU A 35 20.586 -2.176 4.419 1.00 1.67 H new ATOM 0 HG2 GLU A 35 20.145 -4.509 3.623 1.00 1.85 H new ATOM 0 HG3 GLU A 35 20.979 -4.148 2.125 1.00 1.85 H new ATOM 322 N ARG A 36 19.479 0.428 2.618 1.00 1.31 N ATOM 323 CA ARG A 36 19.065 1.822 2.928 1.00 1.38 C ATOM 324 C ARG A 36 17.676 2.152 2.391 1.00 1.21 C ATOM 325 O ARG A 36 16.931 2.871 3.052 1.00 1.43 O ATOM 326 CB ARG A 36 20.073 2.858 2.403 1.00 1.56 C ATOM 327 CG ARG A 36 21.185 3.213 3.400 1.00 2.08 C ATOM 328 CD ARG A 36 21.990 2.007 3.889 1.00 2.00 C ATOM 329 NE ARG A 36 23.197 2.435 4.613 1.00 2.21 N ATOM 330 CZ ARG A 36 24.334 2.829 4.074 1.00 2.67 C ATOM 331 NH1 ARG A 36 24.535 2.849 2.794 1.00 3.45 N ATOM 332 NH2 ARG A 36 25.323 3.244 4.801 1.00 3.13 N ATOM 0 H ARG A 36 20.297 0.357 2.012 1.00 1.31 H new ATOM 0 HA ARG A 36 19.037 1.879 4.016 1.00 1.38 H new ATOM 0 HB2 ARG A 36 20.528 2.476 1.489 1.00 1.56 H new ATOM 0 HB3 ARG A 36 19.536 3.768 2.135 1.00 1.56 H new ATOM 0 HG2 ARG A 36 21.865 3.925 2.932 1.00 2.08 H new ATOM 0 HG3 ARG A 36 20.741 3.714 4.260 1.00 2.08 H new ATOM 0 HD2 ARG A 36 21.370 1.392 4.541 1.00 2.00 H new ATOM 0 HD3 ARG A 36 22.273 1.386 3.039 1.00 2.00 H new ATOM 0 HE ARG A 36 23.150 2.426 5.632 1.00 2.21 H new ATOM 0 HH11 ARG A 36 23.796 2.552 2.157 1.00 3.45 H new ATOM 0 HH12 ARG A 36 25.432 3.162 2.423 1.00 3.45 H new ATOM 0 HH21 ARG A 36 25.233 3.272 5.817 1.00 3.13 H new ATOM 0 HH22 ARG A 36 26.192 3.543 4.358 1.00 3.13 H new ATOM 346 N CYS A 37 17.312 1.594 1.240 1.00 0.90 N ATOM 347 CA CYS A 37 15.979 1.725 0.651 1.00 0.73 C ATOM 348 C CYS A 37 15.046 0.539 0.980 1.00 0.61 C ATOM 349 O CYS A 37 14.013 0.372 0.333 1.00 0.55 O ATOM 350 CB CYS A 37 16.124 2.093 -0.835 1.00 0.60 C ATOM 351 SG CYS A 37 16.758 3.789 -1.017 1.00 0.76 S ATOM 0 H CYS A 37 17.946 1.027 0.678 1.00 0.90 H new ATOM 0 HA CYS A 37 15.443 2.551 1.119 1.00 0.73 H new ATOM 0 HB2 CYS A 37 16.800 1.392 -1.324 1.00 0.60 H new ATOM 0 HB3 CYS A 37 15.158 2.005 -1.333 1.00 0.60 H new ATOM 356 N SER A 38 15.345 -0.253 2.022 1.00 0.70 N ATOM 357 CA SER A 38 14.431 -1.294 2.533 1.00 0.71 C ATOM 358 C SER A 38 13.137 -0.703 3.117 1.00 0.75 C ATOM 359 O SER A 38 12.088 -1.339 3.044 1.00 0.75 O ATOM 360 CB SER A 38 15.143 -2.185 3.560 1.00 0.87 C ATOM 361 OG SER A 38 14.544 -3.467 3.628 1.00 2.13 O ATOM 0 H SER A 38 16.225 -0.192 2.535 1.00 0.70 H new ATOM 0 HA SER A 38 14.139 -1.910 1.682 1.00 0.71 H new ATOM 0 HB2 SER A 38 16.195 -2.286 3.291 1.00 0.87 H new ATOM 0 HB3 SER A 38 15.109 -1.712 4.541 1.00 0.87 H new ATOM 0 HG SER A 38 15.018 -4.015 4.288 1.00 2.13 H new ATOM 367 N THR A 39 13.171 0.553 3.589 1.00 0.82 N ATOM 368 CA THR A 39 11.990 1.338 4.007 1.00 0.90 C ATOM 369 C THR A 39 10.888 1.363 2.951 1.00 0.81 C ATOM 370 O THR A 39 9.720 1.172 3.274 1.00 0.86 O ATOM 371 CB THR A 39 12.361 2.802 4.294 1.00 1.09 C ATOM 372 OG1 THR A 39 13.051 3.360 3.196 1.00 1.95 O ATOM 373 CG2 THR A 39 13.283 2.933 5.493 1.00 1.70 C ATOM 0 H THR A 39 14.044 1.069 3.695 1.00 0.82 H new ATOM 0 HA THR A 39 11.627 0.839 4.905 1.00 0.90 H new ATOM 0 HB THR A 39 11.421 3.320 4.486 1.00 1.09 H new ATOM 0 HG1 THR A 39 13.279 4.293 3.393 1.00 1.95 H new ATOM 0 HG21 THR A 39 13.518 3.984 5.658 1.00 1.70 H new ATOM 0 HG22 THR A 39 12.790 2.528 6.377 1.00 1.70 H new ATOM 0 HG23 THR A 39 14.204 2.380 5.306 1.00 1.70 H new ATOM 381 N TYR A 40 11.260 1.554 1.687 1.00 0.71 N ATOM 382 CA TYR A 40 10.335 1.580 0.550 1.00 0.64 C ATOM 383 C TYR A 40 9.627 0.226 0.385 1.00 0.58 C ATOM 384 O TYR A 40 8.403 0.173 0.259 1.00 0.64 O ATOM 385 CB TYR A 40 11.089 1.937 -0.741 1.00 0.57 C ATOM 386 CG TYR A 40 11.718 3.321 -0.825 1.00 0.64 C ATOM 387 CD1 TYR A 40 12.874 3.644 -0.085 1.00 2.02 C ATOM 388 CD2 TYR A 40 11.181 4.280 -1.704 1.00 1.92 C ATOM 389 CE1 TYR A 40 13.484 4.907 -0.222 1.00 2.07 C ATOM 390 CE2 TYR A 40 11.782 5.542 -1.842 1.00 1.98 C ATOM 391 CZ TYR A 40 12.941 5.860 -1.109 1.00 0.92 C ATOM 392 OH TYR A 40 13.530 7.074 -1.281 1.00 1.11 O ATOM 0 H TYR A 40 12.233 1.698 1.416 1.00 0.71 H new ATOM 0 HA TYR A 40 9.580 2.341 0.746 1.00 0.64 H new ATOM 0 HB2 TYR A 40 11.878 1.199 -0.885 1.00 0.57 H new ATOM 0 HB3 TYR A 40 10.396 1.830 -1.576 1.00 0.57 H new ATOM 0 HD1 TYR A 40 13.296 2.917 0.593 1.00 2.02 H new ATOM 0 HD2 TYR A 40 10.298 4.043 -2.278 1.00 1.92 H new ATOM 0 HE1 TYR A 40 14.367 5.145 0.352 1.00 2.07 H new ATOM 0 HE2 TYR A 40 11.353 6.271 -2.513 1.00 1.98 H new ATOM 0 HH TYR A 40 13.016 7.598 -1.931 1.00 1.11 H new ATOM 402 N PHE A 41 10.374 -0.881 0.453 1.00 0.54 N ATOM 403 CA PHE A 41 9.816 -2.232 0.340 1.00 0.57 C ATOM 404 C PHE A 41 8.936 -2.601 1.543 1.00 0.68 C ATOM 405 O PHE A 41 7.854 -3.160 1.355 1.00 0.71 O ATOM 406 CB PHE A 41 10.945 -3.245 0.110 1.00 0.62 C ATOM 407 CG PHE A 41 11.662 -3.049 -1.215 1.00 2.11 C ATOM 408 CD1 PHE A 41 10.977 -3.291 -2.422 1.00 3.28 C ATOM 409 CD2 PHE A 41 12.993 -2.593 -1.251 1.00 3.75 C ATOM 410 CE1 PHE A 41 11.621 -3.079 -3.655 1.00 4.93 C ATOM 411 CE2 PHE A 41 13.638 -2.382 -2.484 1.00 5.45 C ATOM 412 CZ PHE A 41 12.952 -2.625 -3.686 1.00 5.81 C ATOM 0 H PHE A 41 11.385 -0.865 0.588 1.00 0.54 H new ATOM 0 HA PHE A 41 9.154 -2.257 -0.526 1.00 0.57 H new ATOM 0 HB2 PHE A 41 11.667 -3.165 0.922 1.00 0.62 H new ATOM 0 HB3 PHE A 41 10.533 -4.254 0.148 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.955 -3.640 -2.401 1.00 3.28 H new ATOM 0 HD2 PHE A 41 13.522 -2.404 -0.328 1.00 3.75 H new ATOM 0 HE1 PHE A 41 11.093 -3.265 -4.578 1.00 4.93 H new ATOM 0 HE2 PHE A 41 14.660 -2.033 -2.506 1.00 5.45 H new ATOM 0 HZ PHE A 41 13.446 -2.463 -4.633 1.00 5.81 H new ATOM 422 N LEU A 42 9.317 -2.198 2.759 1.00 0.80 N ATOM 423 CA LEU A 42 8.454 -2.307 3.940 1.00 0.95 C ATOM 424 C LEU A 42 7.162 -1.508 3.776 1.00 0.96 C ATOM 425 O LEU A 42 6.073 -2.036 3.991 1.00 1.00 O ATOM 426 CB LEU A 42 9.254 -1.892 5.195 1.00 1.06 C ATOM 427 CG LEU A 42 8.419 -1.569 6.454 1.00 1.25 C ATOM 428 CD1 LEU A 42 7.578 -2.748 6.942 1.00 1.38 C ATOM 429 CD2 LEU A 42 9.343 -1.136 7.592 1.00 1.38 C ATOM 0 H LEU A 42 10.231 -1.788 2.953 1.00 0.80 H new ATOM 0 HA LEU A 42 8.142 -3.344 4.060 1.00 0.95 H new ATOM 0 HB2 LEU A 42 9.949 -2.695 5.440 1.00 1.06 H new ATOM 0 HB3 LEU A 42 9.853 -1.016 4.946 1.00 1.06 H new ATOM 0 HG LEU A 42 7.736 -0.769 6.168 1.00 1.25 H new ATOM 0 HD11 LEU A 42 7.017 -2.452 7.829 1.00 1.38 H new ATOM 0 HD12 LEU A 42 6.884 -3.049 6.157 1.00 1.38 H new ATOM 0 HD13 LEU A 42 8.232 -3.584 7.189 1.00 1.38 H new ATOM 0 HD21 LEU A 42 8.749 -0.910 8.477 1.00 1.38 H new ATOM 0 HD22 LEU A 42 10.041 -1.941 7.820 1.00 1.38 H new ATOM 0 HD23 LEU A 42 9.899 -0.248 7.291 1.00 1.38 H new ATOM 441 N ARG A 43 7.240 -0.260 3.322 1.00 0.93 N ATOM 442 CA ARG A 43 6.037 0.551 3.112 1.00 0.98 C ATOM 443 C ARG A 43 5.194 0.060 1.941 1.00 0.88 C ATOM 444 O ARG A 43 3.980 0.226 1.974 1.00 0.93 O ATOM 445 CB ARG A 43 6.403 2.027 3.014 1.00 1.05 C ATOM 446 CG ARG A 43 6.927 2.506 4.375 1.00 1.41 C ATOM 447 CD ARG A 43 7.349 3.978 4.380 1.00 1.62 C ATOM 448 NE ARG A 43 6.251 4.842 3.913 1.00 2.34 N ATOM 449 CZ ARG A 43 6.116 5.368 2.712 1.00 3.12 C ATOM 450 NH1 ARG A 43 7.078 5.407 1.845 1.00 3.33 N ATOM 451 NH2 ARG A 43 4.972 5.846 2.332 1.00 4.48 N ATOM 0 H ARG A 43 8.115 0.212 3.093 1.00 0.93 H new ATOM 0 HA ARG A 43 5.394 0.433 3.985 1.00 0.98 H new ATOM 0 HB2 ARG A 43 7.161 2.176 2.245 1.00 1.05 H new ATOM 0 HB3 ARG A 43 5.532 2.612 2.720 1.00 1.05 H new ATOM 0 HG2 ARG A 43 6.153 2.355 5.128 1.00 1.41 H new ATOM 0 HG3 ARG A 43 7.778 1.891 4.665 1.00 1.41 H new ATOM 0 HD2 ARG A 43 7.645 4.272 5.387 1.00 1.62 H new ATOM 0 HD3 ARG A 43 8.221 4.113 3.739 1.00 1.62 H new ATOM 0 HE ARG A 43 5.519 5.056 4.590 1.00 2.34 H new ATOM 0 HH11 ARG A 43 7.992 5.019 2.079 1.00 3.33 H new ATOM 0 HH12 ARG A 43 6.922 5.826 0.928 1.00 3.33 H new ATOM 0 HH21 ARG A 43 4.172 5.816 2.964 1.00 4.48 H new ATOM 0 HH22 ARG A 43 4.873 6.252 1.402 1.00 4.48 H new ATOM 465 N TYR A 44 5.791 -0.664 0.998 1.00 0.79 N ATOM 466 CA TYR A 44 5.043 -1.395 -0.035 1.00 0.79 C ATOM 467 C TYR A 44 4.286 -2.582 0.588 1.00 0.84 C ATOM 468 O TYR A 44 3.092 -2.756 0.327 1.00 0.90 O ATOM 469 CB TYR A 44 5.970 -1.790 -1.201 1.00 0.76 C ATOM 470 CG TYR A 44 5.334 -2.673 -2.262 1.00 0.83 C ATOM 471 CD1 TYR A 44 5.109 -4.036 -1.988 1.00 2.16 C ATOM 472 CD2 TYR A 44 5.009 -2.151 -3.531 1.00 1.95 C ATOM 473 CE1 TYR A 44 4.501 -4.864 -2.950 1.00 2.26 C ATOM 474 CE2 TYR A 44 4.435 -2.987 -4.512 1.00 2.01 C ATOM 475 CZ TYR A 44 4.162 -4.342 -4.214 1.00 1.17 C ATOM 476 OH TYR A 44 3.577 -5.156 -5.131 1.00 1.41 O ATOM 0 H TYR A 44 6.803 -0.764 0.924 1.00 0.79 H new ATOM 0 HA TYR A 44 4.283 -0.744 -0.466 1.00 0.79 H new ATOM 0 HB2 TYR A 44 6.334 -0.881 -1.679 1.00 0.76 H new ATOM 0 HB3 TYR A 44 6.839 -2.307 -0.794 1.00 0.76 H new ATOM 0 HD1 TYR A 44 5.405 -4.448 -1.034 1.00 2.16 H new ATOM 0 HD2 TYR A 44 5.199 -1.111 -3.752 1.00 1.95 H new ATOM 0 HE1 TYR A 44 4.294 -5.899 -2.720 1.00 2.26 H new ATOM 0 HE2 TYR A 44 4.204 -2.592 -5.490 1.00 2.01 H new ATOM 0 HH TYR A 44 3.403 -4.651 -5.953 1.00 1.41 H new ATOM 486 N LYS A 45 4.921 -3.347 1.490 1.00 0.85 N ATOM 487 CA LYS A 45 4.226 -4.366 2.298 1.00 0.92 C ATOM 488 C LYS A 45 3.134 -3.761 3.189 1.00 0.97 C ATOM 489 O LYS A 45 2.111 -4.418 3.375 1.00 1.06 O ATOM 490 CB LYS A 45 5.213 -5.189 3.143 1.00 0.96 C ATOM 491 CG LYS A 45 6.125 -6.106 2.315 1.00 1.86 C ATOM 492 CD LYS A 45 6.857 -7.087 3.241 1.00 1.69 C ATOM 493 CE LYS A 45 7.878 -7.921 2.461 1.00 3.07 C ATOM 494 NZ LYS A 45 8.392 -9.031 3.291 1.00 3.08 N ATOM 0 H LYS A 45 5.921 -3.279 1.680 1.00 0.85 H new ATOM 0 HA LYS A 45 3.738 -5.036 1.590 1.00 0.92 H new ATOM 0 HB2 LYS A 45 5.832 -4.508 3.727 1.00 0.96 H new ATOM 0 HB3 LYS A 45 4.651 -5.796 3.852 1.00 0.96 H new ATOM 0 HG2 LYS A 45 5.534 -6.656 1.582 1.00 1.86 H new ATOM 0 HG3 LYS A 45 6.848 -5.509 1.759 1.00 1.86 H new ATOM 0 HD2 LYS A 45 7.362 -6.536 4.034 1.00 1.69 H new ATOM 0 HD3 LYS A 45 6.135 -7.747 3.722 1.00 1.69 H new ATOM 0 HE2 LYS A 45 7.415 -8.320 1.558 1.00 3.07 H new ATOM 0 HE3 LYS A 45 8.705 -7.287 2.142 1.00 3.07 H new ATOM 0 HZ1 LYS A 45 9.082 -9.583 2.743 1.00 3.08 H new ATOM 0 HZ2 LYS A 45 8.853 -8.645 4.140 1.00 3.08 H new ATOM 0 HZ3 LYS A 45 7.603 -9.646 3.575 1.00 3.08 H new ATOM 508 N ASN A 46 3.288 -2.515 3.652 1.00 0.96 N ATOM 509 CA ASN A 46 2.252 -1.773 4.385 1.00 1.01 C ATOM 510 C ASN A 46 1.088 -1.349 3.462 1.00 1.01 C ATOM 511 O ASN A 46 -0.062 -1.525 3.857 1.00 1.10 O ATOM 512 CB ASN A 46 2.856 -0.571 5.146 1.00 1.04 C ATOM 513 CG ASN A 46 3.939 -0.924 6.162 1.00 1.14 C ATOM 514 OD1 ASN A 46 4.040 -2.037 6.667 1.00 1.23 O ATOM 515 ND2 ASN A 46 4.774 0.026 6.517 1.00 1.22 N ATOM 0 H ASN A 46 4.150 -1.984 3.526 1.00 0.96 H new ATOM 0 HA ASN A 46 1.830 -2.448 5.130 1.00 1.01 H new ATOM 0 HB2 ASN A 46 3.275 0.125 4.420 1.00 1.04 H new ATOM 0 HB3 ASN A 46 2.052 -0.047 5.663 1.00 1.04 H new ATOM 0 HD21 ASN A 46 5.500 -0.165 7.208 1.00 1.22 H new ATOM 0 HD22 ASN A 46 4.697 0.954 6.102 1.00 1.22 H new ATOM 522 N CYS A 47 1.338 -0.892 2.220 1.00 0.98 N ATOM 523 CA CYS A 47 0.282 -0.670 1.218 1.00 1.04 C ATOM 524 C CYS A 47 -0.583 -1.923 1.032 1.00 1.07 C ATOM 525 O CYS A 47 -1.813 -1.863 1.089 1.00 1.26 O ATOM 526 CB CYS A 47 0.879 -0.307 -0.159 1.00 1.13 C ATOM 527 SG CYS A 47 1.969 1.131 -0.268 1.00 1.48 S ATOM 0 H CYS A 47 2.275 -0.667 1.885 1.00 0.98 H new ATOM 0 HA CYS A 47 -0.325 0.154 1.592 1.00 1.04 H new ATOM 0 HB2 CYS A 47 1.434 -1.173 -0.520 1.00 1.13 H new ATOM 0 HB3 CYS A 47 0.050 -0.149 -0.850 1.00 1.13 H new ATOM 532 N ARG A 48 0.079 -3.074 0.854 1.00 0.96 N ATOM 533 CA ARG A 48 -0.572 -4.374 0.672 1.00 0.98 C ATOM 534 C ARG A 48 -1.334 -4.781 1.934 1.00 0.89 C ATOM 535 O ARG A 48 -2.529 -5.040 1.843 1.00 0.83 O ATOM 536 CB ARG A 48 0.480 -5.420 0.248 1.00 1.11 C ATOM 537 CG ARG A 48 1.181 -5.113 -1.096 1.00 1.17 C ATOM 538 CD ARG A 48 0.388 -5.559 -2.335 1.00 1.97 C ATOM 539 NE ARG A 48 0.332 -7.027 -2.431 1.00 2.49 N ATOM 540 CZ ARG A 48 1.200 -7.842 -2.998 1.00 3.06 C ATOM 541 NH1 ARG A 48 2.174 -7.467 -3.778 1.00 3.93 N ATOM 542 NH2 ARG A 48 1.121 -9.110 -2.759 1.00 3.75 N ATOM 0 H ARG A 48 1.097 -3.127 0.832 1.00 0.96 H new ATOM 0 HA ARG A 48 -1.313 -4.307 -0.124 1.00 0.98 H new ATOM 0 HB2 ARG A 48 1.236 -5.494 1.030 1.00 1.11 H new ATOM 0 HB3 ARG A 48 -0.003 -6.395 0.178 1.00 1.11 H new ATOM 0 HG2 ARG A 48 1.363 -4.040 -1.161 1.00 1.17 H new ATOM 0 HG3 ARG A 48 2.155 -5.603 -1.106 1.00 1.17 H new ATOM 0 HD2 ARG A 48 -0.624 -5.156 -2.287 1.00 1.97 H new ATOM 0 HD3 ARG A 48 0.851 -5.151 -3.233 1.00 1.97 H new ATOM 0 HE ARG A 48 -0.482 -7.470 -2.005 1.00 2.49 H new ATOM 0 HH11 ARG A 48 2.307 -6.478 -3.989 1.00 3.93 H new ATOM 0 HH12 ARG A 48 2.804 -8.163 -4.178 1.00 3.93 H new ATOM 0 HH21 ARG A 48 0.394 -9.468 -2.139 1.00 3.75 H new ATOM 0 HH22 ARG A 48 1.785 -9.753 -3.190 1.00 3.75 H new ATOM 556 N ARG A 49 -0.695 -4.746 3.111 1.00 0.90 N ATOM 557 CA ARG A 49 -1.294 -5.109 4.410 1.00 0.85 C ATOM 558 C ARG A 49 -2.513 -4.255 4.750 1.00 0.75 C ATOM 559 O ARG A 49 -3.509 -4.820 5.188 1.00 0.70 O ATOM 560 CB ARG A 49 -0.228 -5.040 5.522 1.00 0.91 C ATOM 561 CG ARG A 49 -0.810 -5.258 6.930 1.00 0.87 C ATOM 562 CD ARG A 49 0.273 -5.256 8.014 1.00 1.05 C ATOM 563 NE ARG A 49 0.830 -6.594 8.264 1.00 2.03 N ATOM 564 CZ ARG A 49 1.342 -7.033 9.398 1.00 2.81 C ATOM 565 NH1 ARG A 49 1.571 -6.256 10.417 1.00 3.15 N ATOM 566 NH2 ARG A 49 1.620 -8.294 9.499 1.00 4.26 N ATOM 0 H ARG A 49 0.280 -4.457 3.192 1.00 0.90 H new ATOM 0 HA ARG A 49 -1.655 -6.135 4.333 1.00 0.85 H new ATOM 0 HB2 ARG A 49 0.537 -5.793 5.331 1.00 0.91 H new ATOM 0 HB3 ARG A 49 0.265 -4.068 5.485 1.00 0.91 H new ATOM 0 HG2 ARG A 49 -1.538 -4.475 7.145 1.00 0.87 H new ATOM 0 HG3 ARG A 49 -1.346 -6.207 6.956 1.00 0.87 H new ATOM 0 HD2 ARG A 49 1.077 -4.582 7.717 1.00 1.05 H new ATOM 0 HD3 ARG A 49 -0.147 -4.863 8.940 1.00 1.05 H new ATOM 0 HE ARG A 49 0.819 -7.249 7.482 1.00 2.03 H new ATOM 0 HH11 ARG A 49 1.353 -5.261 10.359 1.00 3.15 H new ATOM 0 HH12 ARG A 49 1.968 -6.642 11.273 1.00 3.15 H new ATOM 0 HH21 ARG A 49 1.442 -8.920 8.713 1.00 4.26 H new ATOM 0 HH22 ARG A 49 2.017 -8.661 10.364 1.00 4.26 H new ATOM 580 N PHE A 50 -2.479 -2.941 4.515 1.00 0.75 N ATOM 581 CA PHE A 50 -3.632 -2.075 4.773 1.00 0.67 C ATOM 582 C PHE A 50 -4.850 -2.523 3.970 1.00 0.60 C ATOM 583 O PHE A 50 -5.896 -2.857 4.526 1.00 0.52 O ATOM 584 CB PHE A 50 -3.304 -0.623 4.411 1.00 0.70 C ATOM 585 CG PHE A 50 -4.479 0.305 4.667 1.00 0.63 C ATOM 586 CD1 PHE A 50 -4.861 0.617 5.985 1.00 1.56 C ATOM 587 CD2 PHE A 50 -5.252 0.777 3.589 1.00 1.97 C ATOM 588 CE1 PHE A 50 -6.016 1.384 6.221 1.00 1.54 C ATOM 589 CE2 PHE A 50 -6.407 1.541 3.824 1.00 1.99 C ATOM 590 CZ PHE A 50 -6.794 1.838 5.141 1.00 0.60 C ATOM 0 H PHE A 50 -1.663 -2.453 4.146 1.00 0.75 H new ATOM 0 HA PHE A 50 -3.862 -2.146 5.836 1.00 0.67 H new ATOM 0 HB2 PHE A 50 -2.445 -0.289 4.993 1.00 0.70 H new ATOM 0 HB3 PHE A 50 -3.019 -0.566 3.360 1.00 0.70 H new ATOM 0 HD1 PHE A 50 -4.267 0.267 6.816 1.00 1.56 H new ATOM 0 HD2 PHE A 50 -4.955 0.550 2.576 1.00 1.97 H new ATOM 0 HE1 PHE A 50 -6.306 1.625 7.233 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -6.997 1.900 2.993 1.00 1.99 H new ATOM 0 HZ PHE A 50 -7.689 2.415 5.324 1.00 0.60 H new ATOM 600 N TRP A 51 -4.696 -2.582 2.648 1.00 0.66 N ATOM 601 CA TRP A 51 -5.817 -2.920 1.773 1.00 0.62 C ATOM 602 C TRP A 51 -6.250 -4.393 1.913 1.00 0.61 C ATOM 603 O TRP A 51 -7.446 -4.667 1.878 1.00 0.56 O ATOM 604 CB TRP A 51 -5.503 -2.461 0.346 1.00 0.68 C ATOM 605 CG TRP A 51 -5.510 -0.963 0.167 1.00 0.66 C ATOM 606 CD1 TRP A 51 -4.431 -0.174 -0.063 1.00 0.72 C ATOM 607 CD2 TRP A 51 -6.648 -0.037 0.255 1.00 0.62 C ATOM 608 NE1 TRP A 51 -4.830 1.134 -0.226 1.00 0.71 N ATOM 609 CE2 TRP A 51 -6.172 1.288 0.014 1.00 0.65 C ATOM 610 CE3 TRP A 51 -8.027 -0.164 0.543 1.00 0.58 C ATOM 611 CZ2 TRP A 51 -7.002 2.414 0.031 1.00 0.65 C ATOM 612 CZ3 TRP A 51 -8.865 0.970 0.607 1.00 0.58 C ATOM 613 CH2 TRP A 51 -8.358 2.257 0.349 1.00 0.62 C ATOM 0 H TRP A 51 -3.816 -2.402 2.164 1.00 0.66 H new ATOM 0 HA TRP A 51 -6.707 -2.373 2.085 1.00 0.62 H new ATOM 0 HB2 TRP A 51 -4.525 -2.846 0.059 1.00 0.68 H new ATOM 0 HB3 TRP A 51 -6.232 -2.901 -0.335 1.00 0.68 H new ATOM 0 HD1 TRP A 51 -3.409 -0.521 -0.111 1.00 0.72 H new ATOM 0 HE1 TRP A 51 -4.205 1.895 -0.492 1.00 0.71 H new ATOM 0 HE3 TRP A 51 -8.445 -1.144 0.717 1.00 0.58 H new ATOM 0 HZ2 TRP A 51 -6.603 3.391 -0.198 1.00 0.65 H new ATOM 0 HZ3 TRP A 51 -9.909 0.848 0.857 1.00 0.58 H new ATOM 0 HH2 TRP A 51 -9.009 3.118 0.396 1.00 0.62 H new ATOM 624 N ASN A 52 -5.335 -5.323 2.214 1.00 0.68 N ATOM 625 CA ASN A 52 -5.651 -6.694 2.617 1.00 0.69 C ATOM 626 C ASN A 52 -6.403 -6.763 3.968 1.00 0.61 C ATOM 627 O ASN A 52 -7.286 -7.603 4.138 1.00 0.59 O ATOM 628 CB ASN A 52 -4.329 -7.482 2.669 1.00 0.83 C ATOM 629 CG ASN A 52 -3.777 -7.883 1.306 1.00 1.11 C ATOM 630 OD1 ASN A 52 -4.493 -8.066 0.326 1.00 1.55 O ATOM 631 ND2 ASN A 52 -2.485 -8.066 1.182 1.00 1.27 N ATOM 0 H ASN A 52 -4.333 -5.136 2.183 1.00 0.68 H new ATOM 0 HA ASN A 52 -6.331 -7.134 1.887 1.00 0.69 H new ATOM 0 HB2 ASN A 52 -3.582 -6.880 3.186 1.00 0.83 H new ATOM 0 HB3 ASN A 52 -4.481 -8.382 3.264 1.00 0.83 H new ATOM 0 HD21 ASN A 52 -2.095 -8.354 0.285 1.00 1.27 H new ATOM 0 HD22 ASN A 52 -1.870 -7.920 1.983 1.00 1.27 H new ATOM 638 N SER A 53 -6.120 -5.861 4.912 1.00 0.58 N ATOM 639 CA SER A 53 -6.872 -5.734 6.165 1.00 0.52 C ATOM 640 C SER A 53 -8.289 -5.193 5.926 1.00 0.42 C ATOM 641 O SER A 53 -9.235 -5.738 6.491 1.00 0.40 O ATOM 642 CB SER A 53 -6.090 -4.886 7.179 1.00 0.57 C ATOM 643 OG SER A 53 -6.812 -4.760 8.395 1.00 2.01 O ATOM 0 H SER A 53 -5.355 -5.192 4.828 1.00 0.58 H new ATOM 0 HA SER A 53 -6.993 -6.730 6.591 1.00 0.52 H new ATOM 0 HB2 SER A 53 -5.120 -5.345 7.373 1.00 0.57 H new ATOM 0 HB3 SER A 53 -5.897 -3.898 6.761 1.00 0.57 H new ATOM 0 HG SER A 53 -6.296 -4.218 9.027 1.00 2.01 H new ATOM 649 N ILE A 54 -8.486 -4.222 5.021 1.00 0.40 N ATOM 650 CA ILE A 54 -9.830 -3.774 4.601 1.00 0.37 C ATOM 651 C ILE A 54 -10.608 -4.936 3.959 1.00 0.38 C ATOM 652 O ILE A 54 -11.760 -5.193 4.317 1.00 0.40 O ATOM 653 CB ILE A 54 -9.725 -2.557 3.650 1.00 0.44 C ATOM 654 CG1 ILE A 54 -9.046 -1.333 4.309 1.00 0.47 C ATOM 655 CG2 ILE A 54 -11.098 -2.154 3.081 1.00 0.47 C ATOM 656 CD1 ILE A 54 -9.794 -0.721 5.500 1.00 0.45 C ATOM 0 H ILE A 54 -7.724 -3.725 4.559 1.00 0.40 H new ATOM 0 HA ILE A 54 -10.386 -3.453 5.482 1.00 0.37 H new ATOM 0 HB ILE A 54 -9.087 -2.884 2.828 1.00 0.44 H new ATOM 0 HG12 ILE A 54 -8.050 -1.627 4.641 1.00 0.47 H new ATOM 0 HG13 ILE A 54 -8.914 -0.561 3.551 1.00 0.47 H new ATOM 0 HG21 ILE A 54 -10.980 -1.296 2.419 1.00 0.47 H new ATOM 0 HG22 ILE A 54 -11.519 -2.989 2.521 1.00 0.47 H new ATOM 0 HG23 ILE A 54 -11.768 -1.891 3.899 1.00 0.47 H new ATOM 0 HD11 ILE A 54 -9.231 0.129 5.885 1.00 0.45 H new ATOM 0 HD12 ILE A 54 -10.780 -0.387 5.178 1.00 0.45 H new ATOM 0 HD13 ILE A 54 -9.903 -1.470 6.285 1.00 0.45 H new ATOM 668 N VAL A 55 -9.948 -5.704 3.088 1.00 0.42 N ATOM 669 CA VAL A 55 -10.492 -6.938 2.502 1.00 0.46 C ATOM 670 C VAL A 55 -10.929 -7.919 3.590 1.00 0.45 C ATOM 671 O VAL A 55 -12.060 -8.388 3.534 1.00 0.49 O ATOM 672 CB VAL A 55 -9.473 -7.555 1.526 1.00 0.54 C ATOM 673 CG1 VAL A 55 -9.761 -9.002 1.119 1.00 0.61 C ATOM 674 CG2 VAL A 55 -9.397 -6.717 0.248 1.00 0.60 C ATOM 0 H VAL A 55 -9.006 -5.485 2.763 1.00 0.42 H new ATOM 0 HA VAL A 55 -11.387 -6.694 1.930 1.00 0.46 H new ATOM 0 HB VAL A 55 -8.532 -7.558 2.076 1.00 0.54 H new ATOM 0 HG11 VAL A 55 -8.989 -9.347 0.431 1.00 0.61 H new ATOM 0 HG12 VAL A 55 -9.766 -9.635 2.006 1.00 0.61 H new ATOM 0 HG13 VAL A 55 -10.733 -9.056 0.629 1.00 0.61 H new ATOM 0 HG21 VAL A 55 -8.674 -7.161 -0.436 1.00 0.60 H new ATOM 0 HG22 VAL A 55 -10.377 -6.690 -0.228 1.00 0.60 H new ATOM 0 HG23 VAL A 55 -9.086 -5.702 0.496 1.00 0.60 H new ATOM 684 N MET A 56 -10.131 -8.166 4.635 1.00 0.46 N ATOM 685 CA MET A 56 -10.535 -9.019 5.769 1.00 0.51 C ATOM 686 C MET A 56 -11.690 -8.434 6.603 1.00 0.51 C ATOM 687 O MET A 56 -12.574 -9.184 7.034 1.00 0.59 O ATOM 688 CB MET A 56 -9.324 -9.324 6.663 1.00 0.57 C ATOM 689 CG MET A 56 -8.396 -10.366 6.027 1.00 0.73 C ATOM 690 SD MET A 56 -9.123 -12.022 5.843 1.00 1.45 S ATOM 691 CE MET A 56 -7.787 -12.830 4.921 1.00 2.30 C ATOM 0 H MET A 56 -9.189 -7.784 4.723 1.00 0.46 H new ATOM 0 HA MET A 56 -10.916 -9.944 5.336 1.00 0.51 H new ATOM 0 HB2 MET A 56 -8.767 -8.405 6.847 1.00 0.57 H new ATOM 0 HB3 MET A 56 -9.669 -9.687 7.631 1.00 0.57 H new ATOM 0 HG2 MET A 56 -8.090 -10.008 5.044 1.00 0.73 H new ATOM 0 HG3 MET A 56 -7.493 -10.446 6.633 1.00 0.73 H new ATOM 0 HE1 MET A 56 -8.060 -13.865 4.717 1.00 2.30 H new ATOM 0 HE2 MET A 56 -7.625 -12.305 3.980 1.00 2.30 H new ATOM 0 HE3 MET A 56 -6.871 -12.806 5.512 1.00 2.30 H new ATOM 701 N GLN A 57 -11.734 -7.110 6.778 1.00 0.45 N ATOM 702 CA GLN A 57 -12.810 -6.383 7.473 1.00 0.49 C ATOM 703 C GLN A 57 -14.102 -6.281 6.655 1.00 0.52 C ATOM 704 O GLN A 57 -15.152 -5.934 7.197 1.00 0.70 O ATOM 705 CB GLN A 57 -12.344 -4.981 7.918 1.00 0.49 C ATOM 706 CG GLN A 57 -11.314 -5.004 9.057 1.00 0.56 C ATOM 707 CD GLN A 57 -11.766 -5.859 10.238 1.00 0.81 C ATOM 708 OE1 GLN A 57 -12.906 -5.799 10.686 1.00 1.54 O ATOM 709 NE2 GLN A 57 -10.924 -6.742 10.717 1.00 1.02 N ATOM 0 H GLN A 57 -11.001 -6.492 6.431 1.00 0.45 H new ATOM 0 HA GLN A 57 -13.044 -6.977 8.357 1.00 0.49 H new ATOM 0 HB2 GLN A 57 -11.913 -4.462 7.061 1.00 0.49 H new ATOM 0 HB3 GLN A 57 -13.212 -4.404 8.237 1.00 0.49 H new ATOM 0 HG2 GLN A 57 -10.366 -5.386 8.678 1.00 0.56 H new ATOM 0 HG3 GLN A 57 -11.133 -3.985 9.399 1.00 0.56 H new ATOM 0 HE21 GLN A 57 -9.975 -6.795 10.347 1.00 1.02 H new ATOM 0 HE22 GLN A 57 -11.218 -7.376 11.460 1.00 1.02 H new ATOM 718 N ARG A 58 -14.056 -6.618 5.364 1.00 0.53 N ATOM 719 CA ARG A 58 -15.241 -6.849 4.526 1.00 0.62 C ATOM 720 C ARG A 58 -15.587 -8.333 4.365 1.00 0.67 C ATOM 721 O ARG A 58 -16.758 -8.717 4.381 1.00 0.82 O ATOM 722 CB ARG A 58 -15.013 -6.128 3.198 1.00 0.64 C ATOM 723 CG ARG A 58 -14.993 -4.602 3.383 1.00 0.78 C ATOM 724 CD ARG A 58 -14.607 -3.914 2.075 1.00 0.99 C ATOM 725 NE ARG A 58 -14.993 -2.498 2.090 1.00 0.98 N ATOM 726 CZ ARG A 58 -15.725 -1.863 1.202 1.00 1.80 C ATOM 727 NH1 ARG A 58 -16.187 -2.385 0.101 1.00 3.80 N ATOM 728 NH2 ARG A 58 -16.015 -0.625 1.430 1.00 1.60 N ATOM 0 H ARG A 58 -13.178 -6.741 4.859 1.00 0.53 H new ATOM 0 HA ARG A 58 -16.124 -6.438 5.015 1.00 0.62 H new ATOM 0 HB2 ARG A 58 -14.069 -6.455 2.762 1.00 0.64 H new ATOM 0 HB3 ARG A 58 -15.800 -6.400 2.495 1.00 0.64 H new ATOM 0 HG2 ARG A 58 -15.974 -4.255 3.708 1.00 0.78 H new ATOM 0 HG3 ARG A 58 -14.284 -4.333 4.166 1.00 0.78 H new ATOM 0 HD2 ARG A 58 -13.532 -4.000 1.919 1.00 0.99 H new ATOM 0 HD3 ARG A 58 -15.092 -4.418 1.239 1.00 0.99 H new ATOM 0 HE ARG A 58 -14.655 -1.945 2.878 1.00 0.98 H new ATOM 0 HH11 ARG A 58 -15.987 -3.359 -0.125 1.00 3.80 H new ATOM 0 HH12 ARG A 58 -16.749 -1.819 -0.535 1.00 3.80 H new ATOM 0 HH21 ARG A 58 -15.678 -0.170 2.278 1.00 1.60 H new ATOM 0 HH22 ARG A 58 -16.581 -0.102 0.762 1.00 1.60 H new ATOM 742 N ARG A 59 -14.569 -9.191 4.306 1.00 0.65 N ATOM 743 CA ARG A 59 -14.696 -10.652 4.132 1.00 0.75 C ATOM 744 C ARG A 59 -15.348 -11.339 5.326 1.00 0.89 C ATOM 745 O ARG A 59 -16.075 -12.314 5.128 1.00 0.95 O ATOM 746 CB ARG A 59 -13.335 -11.255 3.753 1.00 0.75 C ATOM 747 CG ARG A 59 -13.372 -12.783 3.631 1.00 0.93 C ATOM 748 CD ARG A 59 -12.157 -13.306 2.864 1.00 1.02 C ATOM 749 NE ARG A 59 -11.921 -14.738 3.121 1.00 1.58 N ATOM 750 CZ ARG A 59 -10.885 -15.438 2.691 1.00 2.11 C ATOM 751 NH1 ARG A 59 -9.903 -14.913 2.023 1.00 2.17 N ATOM 752 NH2 ARG A 59 -10.781 -16.712 2.913 1.00 2.79 N ATOM 0 H ARG A 59 -13.598 -8.886 4.380 1.00 0.65 H new ATOM 0 HA ARG A 59 -15.383 -10.836 3.306 1.00 0.75 H new ATOM 0 HB2 ARG A 59 -13.005 -10.828 2.806 1.00 0.75 H new ATOM 0 HB3 ARG A 59 -12.597 -10.973 4.504 1.00 0.75 H new ATOM 0 HG2 ARG A 59 -13.398 -13.229 4.625 1.00 0.93 H new ATOM 0 HG3 ARG A 59 -14.286 -13.088 3.121 1.00 0.93 H new ATOM 0 HD2 ARG A 59 -12.306 -13.148 1.796 1.00 1.02 H new ATOM 0 HD3 ARG A 59 -11.274 -12.735 3.150 1.00 1.02 H new ATOM 0 HE ARG A 59 -12.617 -15.232 3.679 1.00 1.58 H new ATOM 0 HH11 ARG A 59 -9.908 -13.916 1.808 1.00 2.17 H new ATOM 0 HH12 ARG A 59 -9.126 -15.498 1.714 1.00 2.17 H new ATOM 0 HH21 ARG A 59 -11.511 -17.200 3.432 1.00 2.79 H new ATOM 0 HH22 ARG A 59 -9.970 -17.225 2.568 1.00 2.79 H new ATOM 766 N LYS A 60 -15.225 -10.764 6.527 1.00 1.01 N ATOM 767 CA LYS A 60 -15.968 -11.183 7.727 1.00 1.20 C ATOM 768 C LYS A 60 -17.484 -11.294 7.521 1.00 1.25 C ATOM 769 O LYS A 60 -18.124 -12.099 8.200 1.00 1.38 O ATOM 770 CB LYS A 60 -15.650 -10.226 8.885 1.00 1.34 C ATOM 771 CG LYS A 60 -16.269 -8.828 8.784 1.00 1.38 C ATOM 772 CD LYS A 60 -15.702 -7.964 9.910 1.00 1.64 C ATOM 773 CE LYS A 60 -16.377 -6.595 9.985 1.00 1.66 C ATOM 774 NZ LYS A 60 -15.701 -5.739 10.979 1.00 2.19 N ATOM 0 H LYS A 60 -14.596 -9.980 6.699 1.00 1.01 H new ATOM 0 HA LYS A 60 -15.634 -12.193 7.963 1.00 1.20 H new ATOM 0 HB2 LYS A 60 -15.987 -10.686 9.814 1.00 1.34 H new ATOM 0 HB3 LYS A 60 -14.568 -10.119 8.956 1.00 1.34 H new ATOM 0 HG2 LYS A 60 -16.043 -8.383 7.815 1.00 1.38 H new ATOM 0 HG3 LYS A 60 -17.355 -8.888 8.862 1.00 1.38 H new ATOM 0 HD2 LYS A 60 -15.828 -8.482 10.861 1.00 1.64 H new ATOM 0 HD3 LYS A 60 -14.631 -7.831 9.759 1.00 1.64 H new ATOM 0 HE2 LYS A 60 -16.351 -6.116 9.006 1.00 1.66 H new ATOM 0 HE3 LYS A 60 -17.427 -6.715 10.253 1.00 1.66 H new ATOM 0 HZ1 LYS A 60 -15.901 -4.740 10.770 1.00 2.19 H new ATOM 0 HZ2 LYS A 60 -16.050 -5.970 11.931 1.00 2.19 H new ATOM 0 HZ3 LYS A 60 -14.675 -5.903 10.937 1.00 2.19 H new ATOM 788 N ASN A 61 -18.051 -10.524 6.586 1.00 1.21 N ATOM 789 CA ASN A 61 -19.480 -10.521 6.283 1.00 1.32 C ATOM 790 C ASN A 61 -19.894 -11.405 5.086 1.00 1.19 C ATOM 791 O ASN A 61 -21.082 -11.675 4.931 1.00 1.31 O ATOM 792 CB ASN A 61 -19.952 -9.072 6.149 1.00 1.55 C ATOM 793 CG ASN A 61 -19.948 -8.396 7.500 1.00 1.91 C ATOM 794 OD1 ASN A 61 -20.653 -8.790 8.414 1.00 2.30 O ATOM 795 ND2 ASN A 61 -19.108 -7.417 7.678 1.00 1.93 N ATOM 0 H ASN A 61 -17.516 -9.874 6.010 1.00 1.21 H new ATOM 0 HA ASN A 61 -19.993 -10.997 7.119 1.00 1.32 H new ATOM 0 HB2 ASN A 61 -19.301 -8.532 5.462 1.00 1.55 H new ATOM 0 HB3 ASN A 61 -20.955 -9.046 5.724 1.00 1.55 H new ATOM 0 HD21 ASN A 61 -19.033 -6.969 8.591 1.00 1.93 H new ATOM 0 HD22 ASN A 61 -18.525 -7.098 6.904 1.00 1.93 H new ATOM 802 N GLY A 62 -18.962 -11.865 4.240 1.00 1.05 N ATOM 803 CA GLY A 62 -19.233 -12.851 3.173 1.00 1.07 C ATOM 804 C GLY A 62 -20.226 -12.410 2.079 1.00 1.30 C ATOM 805 O GLY A 62 -20.895 -13.253 1.477 1.00 1.65 O ATOM 0 H GLY A 62 -17.988 -11.563 4.274 1.00 1.05 H new ATOM 0 HA2 GLY A 62 -18.288 -13.108 2.695 1.00 1.07 H new ATOM 0 HA3 GLY A 62 -19.614 -13.761 3.636 1.00 1.07 H new ATOM 809 N VAL A 63 -20.383 -11.094 1.868 1.00 1.26 N ATOM 810 CA VAL A 63 -21.570 -10.501 1.219 1.00 1.58 C ATOM 811 C VAL A 63 -21.291 -9.477 0.112 1.00 1.61 C ATOM 812 O VAL A 63 -21.988 -9.467 -0.903 1.00 1.90 O ATOM 813 CB VAL A 63 -22.469 -9.911 2.328 1.00 1.84 C ATOM 814 CG1 VAL A 63 -21.826 -8.742 3.090 1.00 1.78 C ATOM 815 CG2 VAL A 63 -23.814 -9.443 1.797 1.00 2.27 C ATOM 0 H VAL A 63 -19.686 -10.403 2.144 1.00 1.26 H new ATOM 0 HA VAL A 63 -22.070 -11.305 0.679 1.00 1.58 H new ATOM 0 HB VAL A 63 -22.609 -10.742 3.019 1.00 1.84 H new ATOM 0 HG11 VAL A 63 -22.517 -8.381 3.852 1.00 1.78 H new ATOM 0 HG12 VAL A 63 -20.905 -9.080 3.566 1.00 1.78 H new ATOM 0 HG13 VAL A 63 -21.599 -7.935 2.394 1.00 1.78 H new ATOM 0 HG21 VAL A 63 -24.407 -9.037 2.616 1.00 2.27 H new ATOM 0 HG22 VAL A 63 -23.659 -8.671 1.044 1.00 2.27 H new ATOM 0 HG23 VAL A 63 -24.342 -10.285 1.350 1.00 2.27 H new ATOM 825 N LYS A 64 -20.286 -8.618 0.273 1.00 1.48 N ATOM 826 CA LYS A 64 -20.027 -7.426 -0.560 1.00 1.61 C ATOM 827 C LYS A 64 -18.686 -7.524 -1.298 1.00 1.58 C ATOM 828 O LYS A 64 -17.893 -8.389 -0.926 1.00 1.46 O ATOM 829 CB LYS A 64 -20.077 -6.194 0.360 1.00 1.72 C ATOM 830 CG LYS A 64 -19.016 -6.212 1.478 1.00 1.59 C ATOM 831 CD LYS A 64 -18.596 -4.791 1.851 1.00 1.71 C ATOM 832 CE LYS A 64 -19.798 -4.003 2.412 1.00 2.13 C ATOM 833 NZ LYS A 64 -19.577 -2.542 2.497 1.00 2.15 N ATOM 0 H LYS A 64 -19.596 -8.731 1.016 1.00 1.48 H new ATOM 0 HA LYS A 64 -20.787 -7.346 -1.337 1.00 1.61 H new ATOM 0 HB2 LYS A 64 -19.942 -5.296 -0.243 1.00 1.72 H new ATOM 0 HB3 LYS A 64 -21.067 -6.129 0.812 1.00 1.72 H new ATOM 0 HG2 LYS A 64 -19.415 -6.720 2.356 1.00 1.59 H new ATOM 0 HG3 LYS A 64 -18.145 -6.779 1.150 1.00 1.59 H new ATOM 0 HD2 LYS A 64 -17.797 -4.824 2.592 1.00 1.71 H new ATOM 0 HD3 LYS A 64 -18.197 -4.281 0.974 1.00 1.71 H new ATOM 0 HE2 LYS A 64 -20.668 -4.192 1.783 1.00 2.13 H new ATOM 0 HE3 LYS A 64 -20.035 -4.382 3.406 1.00 2.13 H new ATOM 0 HZ1 LYS A 64 -20.428 -2.084 2.882 1.00 2.15 H new ATOM 0 HZ2 LYS A 64 -18.767 -2.349 3.121 1.00 2.15 H new ATOM 0 HZ3 LYS A 64 -19.381 -2.165 1.548 1.00 2.15 H new ATOM 847 N PRO A 65 -18.367 -6.631 -2.254 1.00 1.74 N ATOM 848 CA PRO A 65 -16.998 -6.481 -2.735 1.00 1.67 C ATOM 849 C PRO A 65 -16.027 -6.158 -1.586 1.00 1.39 C ATOM 850 O PRO A 65 -16.012 -5.058 -1.022 1.00 1.42 O ATOM 851 CB PRO A 65 -17.058 -5.378 -3.794 1.00 2.00 C ATOM 852 CG PRO A 65 -18.300 -4.574 -3.439 1.00 2.14 C ATOM 853 CD PRO A 65 -19.230 -5.668 -2.934 1.00 1.97 C ATOM 0 HA PRO A 65 -16.611 -7.405 -3.164 1.00 1.67 H new ATOM 0 HB2 PRO A 65 -16.163 -4.756 -3.770 1.00 2.00 H new ATOM 0 HB3 PRO A 65 -17.130 -5.796 -4.798 1.00 2.00 H new ATOM 0 HG2 PRO A 65 -18.098 -3.822 -2.677 1.00 2.14 H new ATOM 0 HG3 PRO A 65 -18.712 -4.051 -4.302 1.00 2.14 H new ATOM 0 HD2 PRO A 65 -19.979 -5.263 -2.253 1.00 1.97 H new ATOM 0 HD3 PRO A 65 -19.768 -6.137 -3.758 1.00 1.97 H new ATOM 861 N PHE A 66 -15.225 -7.160 -1.227 1.00 1.22 N ATOM 862 CA PHE A 66 -14.163 -7.074 -0.229 1.00 0.87 C ATOM 863 C PHE A 66 -13.054 -6.125 -0.662 1.00 0.72 C ATOM 864 O PHE A 66 -12.628 -5.292 0.130 1.00 0.68 O ATOM 865 CB PHE A 66 -13.534 -8.442 0.044 1.00 0.76 C ATOM 866 CG PHE A 66 -14.437 -9.610 0.371 1.00 0.82 C ATOM 867 CD1 PHE A 66 -15.733 -9.442 0.901 1.00 2.00 C ATOM 868 CD2 PHE A 66 -13.955 -10.902 0.094 1.00 1.77 C ATOM 869 CE1 PHE A 66 -16.543 -10.571 1.127 1.00 2.00 C ATOM 870 CE2 PHE A 66 -14.753 -12.028 0.349 1.00 1.85 C ATOM 871 CZ PHE A 66 -16.045 -11.863 0.870 1.00 0.97 C ATOM 0 H PHE A 66 -15.302 -8.089 -1.640 1.00 1.22 H new ATOM 0 HA PHE A 66 -14.636 -6.696 0.677 1.00 0.87 H new ATOM 0 HB2 PHE A 66 -12.946 -8.715 -0.832 1.00 0.76 H new ATOM 0 HB3 PHE A 66 -12.835 -8.324 0.872 1.00 0.76 H new ATOM 0 HD1 PHE A 66 -16.102 -8.454 1.132 1.00 2.00 H new ATOM 0 HD2 PHE A 66 -12.965 -11.028 -0.318 1.00 1.77 H new ATOM 0 HE1 PHE A 66 -17.549 -10.446 1.499 1.00 2.00 H new ATOM 0 HE2 PHE A 66 -14.374 -13.018 0.145 1.00 1.85 H new ATOM 0 HZ PHE A 66 -16.659 -12.728 1.074 1.00 0.97 H new ATOM 881 N MET A 67 -12.617 -6.226 -1.917 1.00 0.84 N ATOM 882 CA MET A 67 -11.882 -5.157 -2.588 1.00 0.91 C ATOM 883 C MET A 67 -12.809 -3.948 -2.829 1.00 0.98 C ATOM 884 O MET A 67 -13.702 -4.037 -3.681 1.00 1.07 O ATOM 885 CB MET A 67 -11.276 -5.664 -3.905 1.00 1.09 C ATOM 886 CG MET A 67 -9.943 -6.369 -3.654 1.00 1.07 C ATOM 887 SD MET A 67 -8.638 -5.267 -3.040 1.00 1.08 S ATOM 888 CE MET A 67 -7.310 -6.484 -2.910 1.00 1.15 C ATOM 0 H MET A 67 -12.763 -7.052 -2.497 1.00 0.84 H new ATOM 0 HA MET A 67 -11.061 -4.835 -1.947 1.00 0.91 H new ATOM 0 HB2 MET A 67 -11.970 -6.351 -4.389 1.00 1.09 H new ATOM 0 HB3 MET A 67 -11.127 -4.827 -4.588 1.00 1.09 H new ATOM 0 HG2 MET A 67 -10.097 -7.172 -2.933 1.00 1.07 H new ATOM 0 HG3 MET A 67 -9.608 -6.833 -4.581 1.00 1.07 H new ATOM 0 HE1 MET A 67 -6.558 -6.128 -2.206 1.00 1.15 H new ATOM 0 HE2 MET A 67 -7.718 -7.431 -2.557 1.00 1.15 H new ATOM 0 HE3 MET A 67 -6.852 -6.628 -3.888 1.00 1.15 H new ATOM 898 N PRO A 68 -12.630 -2.827 -2.103 1.00 0.95 N ATOM 899 CA PRO A 68 -13.464 -1.635 -2.251 1.00 0.90 C ATOM 900 C PRO A 68 -13.360 -1.008 -3.647 1.00 0.92 C ATOM 901 O PRO A 68 -12.310 -1.039 -4.296 1.00 0.98 O ATOM 902 CB PRO A 68 -12.995 -0.666 -1.159 1.00 0.81 C ATOM 903 CG PRO A 68 -11.556 -1.097 -0.897 1.00 0.80 C ATOM 904 CD PRO A 68 -11.613 -2.597 -1.082 1.00 0.92 C ATOM 0 HA PRO A 68 -14.519 -1.887 -2.143 1.00 0.90 H new ATOM 0 HB2 PRO A 68 -13.050 0.371 -1.491 1.00 0.81 H new ATOM 0 HB3 PRO A 68 -13.608 -0.746 -0.261 1.00 0.81 H new ATOM 0 HG2 PRO A 68 -10.861 -0.630 -1.595 1.00 0.80 H new ATOM 0 HG3 PRO A 68 -11.230 -0.826 0.107 1.00 0.80 H new ATOM 0 HD2 PRO A 68 -10.646 -2.990 -1.396 1.00 0.92 H new ATOM 0 HD3 PRO A 68 -11.873 -3.098 -0.149 1.00 0.92 H new ATOM 912 N THR A 69 -14.451 -0.386 -4.092 1.00 0.95 N ATOM 913 CA THR A 69 -14.507 0.381 -5.338 1.00 0.99 C ATOM 914 C THR A 69 -13.996 1.810 -5.158 1.00 0.97 C ATOM 915 O THR A 69 -13.823 2.275 -4.033 1.00 0.92 O ATOM 916 CB THR A 69 -15.911 0.346 -5.957 1.00 1.09 C ATOM 917 OG1 THR A 69 -16.873 0.905 -5.091 1.00 1.15 O ATOM 918 CG2 THR A 69 -16.352 -1.083 -6.275 1.00 1.14 C ATOM 0 H THR A 69 -15.338 -0.401 -3.588 1.00 0.95 H new ATOM 0 HA THR A 69 -13.831 -0.103 -6.043 1.00 0.99 H new ATOM 0 HB THR A 69 -15.848 0.930 -6.875 1.00 1.09 H new ATOM 0 HG1 THR A 69 -17.125 0.245 -4.412 1.00 1.15 H new ATOM 0 HG21 THR A 69 -17.351 -1.067 -6.712 1.00 1.14 H new ATOM 0 HG22 THR A 69 -15.654 -1.530 -6.982 1.00 1.14 H new ATOM 0 HG23 THR A 69 -16.366 -1.672 -5.358 1.00 1.14 H new ATOM 926 N ALA A 70 -13.708 2.511 -6.250 1.00 1.05 N ATOM 927 CA ALA A 70 -12.948 3.770 -6.239 1.00 1.11 C ATOM 928 C ALA A 70 -13.463 4.849 -5.253 1.00 1.12 C ATOM 929 O ALA A 70 -12.666 5.427 -4.506 1.00 1.10 O ATOM 930 CB ALA A 70 -12.878 4.302 -7.675 1.00 1.27 C ATOM 0 H ALA A 70 -13.997 2.222 -7.184 1.00 1.05 H new ATOM 0 HA ALA A 70 -11.953 3.538 -5.858 1.00 1.11 H new ATOM 0 HB1 ALA A 70 -12.318 5.237 -7.690 1.00 1.27 H new ATOM 0 HB2 ALA A 70 -12.379 3.570 -8.310 1.00 1.27 H new ATOM 0 HB3 ALA A 70 -13.887 4.478 -8.047 1.00 1.27 H new ATOM 936 N ALA A 71 -14.779 5.072 -5.178 1.00 1.19 N ATOM 937 CA ALA A 71 -15.398 6.014 -4.237 1.00 1.27 C ATOM 938 C ALA A 71 -15.383 5.518 -2.773 1.00 1.14 C ATOM 939 O ALA A 71 -15.299 6.326 -1.838 1.00 1.14 O ATOM 940 CB ALA A 71 -16.829 6.292 -4.713 1.00 1.48 C ATOM 0 H ALA A 71 -15.454 4.597 -5.777 1.00 1.19 H new ATOM 0 HA ALA A 71 -14.809 6.931 -4.232 1.00 1.27 H new ATOM 0 HB1 ALA A 71 -17.311 6.991 -4.029 1.00 1.48 H new ATOM 0 HB2 ALA A 71 -16.802 6.724 -5.713 1.00 1.48 H new ATOM 0 HB3 ALA A 71 -17.393 5.359 -4.736 1.00 1.48 H new ATOM 946 N GLU A 72 -15.420 4.197 -2.564 1.00 1.06 N ATOM 947 CA GLU A 72 -15.221 3.569 -1.263 1.00 0.99 C ATOM 948 C GLU A 72 -13.765 3.784 -0.831 1.00 0.85 C ATOM 949 O GLU A 72 -13.518 4.306 0.250 1.00 0.81 O ATOM 950 CB GLU A 72 -15.591 2.077 -1.294 1.00 1.00 C ATOM 951 CG GLU A 72 -17.031 1.814 -1.749 1.00 1.21 C ATOM 952 CD GLU A 72 -17.320 0.312 -1.754 1.00 1.59 C ATOM 953 OE1 GLU A 72 -17.037 -0.372 -2.764 1.00 2.26 O ATOM 954 OE2 GLU A 72 -17.784 -0.223 -0.719 1.00 2.07 O ATOM 0 H GLU A 72 -15.593 3.526 -3.312 1.00 1.06 H new ATOM 0 HA GLU A 72 -15.884 4.032 -0.532 1.00 0.99 H new ATOM 0 HB2 GLU A 72 -14.906 1.555 -1.962 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -15.450 1.655 -0.299 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -17.728 2.323 -1.084 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -17.185 2.224 -2.747 1.00 1.21 H new ATOM 961 N ARG A 73 -12.791 3.491 -1.708 1.00 0.81 N ATOM 962 CA ARG A 73 -11.362 3.750 -1.452 1.00 0.74 C ATOM 963 C ARG A 73 -11.095 5.214 -1.113 1.00 0.77 C ATOM 964 O ARG A 73 -10.333 5.482 -0.189 1.00 0.72 O ATOM 965 CB ARG A 73 -10.494 3.283 -2.636 1.00 0.79 C ATOM 966 CG ARG A 73 -10.547 1.758 -2.762 1.00 1.58 C ATOM 967 CD ARG A 73 -9.597 1.168 -3.807 1.00 1.86 C ATOM 968 NE ARG A 73 -8.205 1.118 -3.323 1.00 2.36 N ATOM 969 CZ ARG A 73 -7.196 1.885 -3.692 1.00 2.50 C ATOM 970 NH1 ARG A 73 -7.313 2.852 -4.553 1.00 2.87 N ATOM 971 NH2 ARG A 73 -6.020 1.688 -3.183 1.00 3.58 N ATOM 0 H ARG A 73 -12.972 3.066 -2.618 1.00 0.81 H new ATOM 0 HA ARG A 73 -11.081 3.165 -0.576 1.00 0.74 H new ATOM 0 HB2 ARG A 73 -10.847 3.744 -3.559 1.00 0.79 H new ATOM 0 HB3 ARG A 73 -9.464 3.608 -2.491 1.00 0.79 H new ATOM 0 HG2 ARG A 73 -10.315 1.319 -1.792 1.00 1.58 H new ATOM 0 HG3 ARG A 73 -11.567 1.463 -3.010 1.00 1.58 H new ATOM 0 HD2 ARG A 73 -9.926 0.162 -4.069 1.00 1.86 H new ATOM 0 HD3 ARG A 73 -9.643 1.766 -4.717 1.00 1.86 H new ATOM 0 HE ARG A 73 -7.998 0.408 -2.621 1.00 2.36 H new ATOM 0 HH11 ARG A 73 -8.219 3.049 -4.979 1.00 2.87 H new ATOM 0 HH12 ARG A 73 -6.499 3.414 -4.802 1.00 2.87 H new ATOM 0 HH21 ARG A 73 -5.878 0.943 -2.501 1.00 3.58 H new ATOM 0 HH22 ARG A 73 -5.237 2.278 -3.465 1.00 3.58 H new ATOM 985 N ASP A 74 -11.775 6.144 -1.780 1.00 0.88 N ATOM 986 CA ASP A 74 -11.721 7.571 -1.459 1.00 0.96 C ATOM 987 C ASP A 74 -12.235 7.882 -0.041 1.00 0.94 C ATOM 988 O ASP A 74 -11.507 8.505 0.741 1.00 0.93 O ATOM 989 CB ASP A 74 -12.512 8.353 -2.513 1.00 1.11 C ATOM 990 CG ASP A 74 -12.577 9.844 -2.191 1.00 1.22 C ATOM 991 OD1 ASP A 74 -11.517 10.513 -2.191 1.00 1.93 O ATOM 992 OD2 ASP A 74 -13.694 10.351 -1.929 1.00 1.90 O ATOM 0 H ASP A 74 -12.386 5.927 -2.567 1.00 0.88 H new ATOM 0 HA ASP A 74 -10.676 7.881 -1.475 1.00 0.96 H new ATOM 0 HB2 ASP A 74 -12.050 8.213 -3.490 1.00 1.11 H new ATOM 0 HB3 ASP A 74 -13.523 7.952 -2.578 1.00 1.11 H new ATOM 997 N GLU A 75 -13.448 7.437 0.320 1.00 0.97 N ATOM 998 CA GLU A 75 -13.973 7.668 1.679 1.00 0.97 C ATOM 999 C GLU A 75 -13.179 6.936 2.782 1.00 0.85 C ATOM 1000 O GLU A 75 -13.113 7.412 3.917 1.00 0.86 O ATOM 1001 CB GLU A 75 -15.483 7.384 1.774 1.00 1.08 C ATOM 1002 CG GLU A 75 -15.875 5.898 1.790 1.00 1.03 C ATOM 1003 CD GLU A 75 -17.358 5.665 2.109 1.00 1.21 C ATOM 1004 OE1 GLU A 75 -17.887 6.274 3.071 1.00 2.09 O ATOM 1005 OE2 GLU A 75 -18.008 4.835 1.424 1.00 1.94 O ATOM 0 H GLU A 75 -14.077 6.923 -0.297 1.00 0.97 H new ATOM 0 HA GLU A 75 -13.829 8.732 1.868 1.00 0.97 H new ATOM 0 HB2 GLU A 75 -15.867 7.853 2.680 1.00 1.08 H new ATOM 0 HB3 GLU A 75 -15.979 7.864 0.931 1.00 1.08 H new ATOM 0 HG2 GLU A 75 -15.646 5.458 0.819 1.00 1.03 H new ATOM 0 HG3 GLU A 75 -15.265 5.376 2.528 1.00 1.03 H new ATOM 1012 N ILE A 76 -12.530 5.817 2.452 1.00 0.75 N ATOM 1013 CA ILE A 76 -11.677 5.029 3.353 1.00 0.64 C ATOM 1014 C ILE A 76 -10.330 5.730 3.575 1.00 0.62 C ATOM 1015 O ILE A 76 -9.899 5.900 4.714 1.00 0.64 O ATOM 1016 CB ILE A 76 -11.528 3.597 2.789 1.00 0.57 C ATOM 1017 CG1 ILE A 76 -12.872 2.836 2.899 1.00 0.64 C ATOM 1018 CG2 ILE A 76 -10.413 2.824 3.508 1.00 0.51 C ATOM 1019 CD1 ILE A 76 -13.029 1.696 1.884 1.00 0.66 C ATOM 0 H ILE A 76 -12.584 5.417 1.515 1.00 0.75 H new ATOM 0 HA ILE A 76 -12.142 4.950 4.336 1.00 0.64 H new ATOM 0 HB ILE A 76 -11.251 3.677 1.738 1.00 0.57 H new ATOM 0 HG12 ILE A 76 -12.965 2.428 3.905 1.00 0.64 H new ATOM 0 HG13 ILE A 76 -13.690 3.543 2.765 1.00 0.64 H new ATOM 0 HG21 ILE A 76 -10.335 1.822 3.087 1.00 0.51 H new ATOM 0 HG22 ILE A 76 -9.465 3.347 3.378 1.00 0.51 H new ATOM 0 HG23 ILE A 76 -10.646 2.754 4.571 1.00 0.51 H new ATOM 0 HD11 ILE A 76 -13.996 1.213 2.026 1.00 0.66 H new ATOM 0 HD12 ILE A 76 -12.970 2.098 0.873 1.00 0.66 H new ATOM 0 HD13 ILE A 76 -12.233 0.966 2.031 1.00 0.66 H new ATOM 1031 N LEU A 77 -9.692 6.239 2.520 1.00 0.65 N ATOM 1032 CA LEU A 77 -8.497 7.083 2.639 1.00 0.68 C ATOM 1033 C LEU A 77 -8.784 8.373 3.416 1.00 0.75 C ATOM 1034 O LEU A 77 -7.943 8.840 4.189 1.00 0.79 O ATOM 1035 CB LEU A 77 -7.991 7.405 1.231 1.00 0.73 C ATOM 1036 CG LEU A 77 -7.207 6.239 0.611 1.00 0.71 C ATOM 1037 CD1 LEU A 77 -7.103 6.470 -0.889 1.00 0.82 C ATOM 1038 CD2 LEU A 77 -5.798 6.138 1.204 1.00 0.75 C ATOM 0 H LEU A 77 -9.988 6.079 1.557 1.00 0.65 H new ATOM 0 HA LEU A 77 -7.735 6.542 3.200 1.00 0.68 H new ATOM 0 HB2 LEU A 77 -8.838 7.651 0.591 1.00 0.73 H new ATOM 0 HB3 LEU A 77 -7.353 8.288 1.270 1.00 0.73 H new ATOM 0 HG LEU A 77 -7.733 5.309 0.826 1.00 0.71 H new ATOM 0 HD11 LEU A 77 -6.548 5.650 -1.346 1.00 0.82 H new ATOM 0 HD12 LEU A 77 -8.103 6.516 -1.320 1.00 0.82 H new ATOM 0 HD13 LEU A 77 -6.583 7.409 -1.077 1.00 0.82 H new ATOM 0 HD21 LEU A 77 -5.269 5.303 0.745 1.00 0.75 H new ATOM 0 HD22 LEU A 77 -5.255 7.063 1.010 1.00 0.75 H new ATOM 0 HD23 LEU A 77 -5.867 5.976 2.280 1.00 0.75 H new ATOM 1050 N ARG A 78 -9.993 8.920 3.269 1.00 0.80 N ATOM 1051 CA ARG A 78 -10.506 10.015 4.105 1.00 0.89 C ATOM 1052 C ARG A 78 -10.739 9.577 5.555 1.00 0.89 C ATOM 1053 O ARG A 78 -10.471 10.352 6.469 1.00 0.97 O ATOM 1054 CB ARG A 78 -11.790 10.582 3.489 1.00 0.98 C ATOM 1055 CG ARG A 78 -11.530 11.539 2.312 1.00 1.09 C ATOM 1056 CD ARG A 78 -12.715 11.644 1.335 1.00 1.30 C ATOM 1057 NE ARG A 78 -14.021 11.631 2.020 1.00 2.57 N ATOM 1058 CZ ARG A 78 -15.181 11.276 1.509 1.00 3.74 C ATOM 1059 NH1 ARG A 78 -15.362 10.981 0.257 1.00 4.11 N ATOM 1060 NH2 ARG A 78 -16.208 11.166 2.291 1.00 5.41 N ATOM 0 H ARG A 78 -10.655 8.612 2.556 1.00 0.80 H new ATOM 0 HA ARG A 78 -9.747 10.797 4.134 1.00 0.89 H new ATOM 0 HB2 ARG A 78 -12.415 9.757 3.146 1.00 0.98 H new ATOM 0 HB3 ARG A 78 -12.352 11.109 4.260 1.00 0.98 H new ATOM 0 HG2 ARG A 78 -11.303 12.531 2.703 1.00 1.09 H new ATOM 0 HG3 ARG A 78 -10.648 11.201 1.767 1.00 1.09 H new ATOM 0 HD2 ARG A 78 -12.622 12.563 0.756 1.00 1.30 H new ATOM 0 HD3 ARG A 78 -12.672 10.816 0.628 1.00 1.30 H new ATOM 0 HE ARG A 78 -14.026 11.929 2.995 1.00 2.57 H new ATOM 0 HH11 ARG A 78 -14.578 11.017 -0.394 1.00 4.11 H new ATOM 0 HH12 ARG A 78 -16.288 10.713 -0.075 1.00 4.11 H new ATOM 0 HH21 ARG A 78 -16.112 11.354 3.289 1.00 5.41 H new ATOM 0 HH22 ARG A 78 -17.113 10.892 1.909 1.00 5.41 H new ATOM 1074 N ALA A 79 -11.162 8.333 5.784 1.00 0.83 N ATOM 1075 CA ALA A 79 -11.317 7.754 7.122 1.00 0.85 C ATOM 1076 C ALA A 79 -9.974 7.475 7.828 1.00 0.82 C ATOM 1077 O ALA A 79 -9.929 7.534 9.060 1.00 0.92 O ATOM 1078 CB ALA A 79 -12.182 6.489 7.042 1.00 0.87 C ATOM 0 H ALA A 79 -11.411 7.688 5.034 1.00 0.83 H new ATOM 0 HA ALA A 79 -11.820 8.498 7.740 1.00 0.85 H new ATOM 0 HB1 ALA A 79 -12.295 6.062 8.038 1.00 0.87 H new ATOM 0 HB2 ALA A 79 -13.164 6.744 6.643 1.00 0.87 H new ATOM 0 HB3 ALA A 79 -11.703 5.761 6.387 1.00 0.87 H new ATOM 1084 N VAL A 80 -8.877 7.240 7.092 1.00 0.74 N ATOM 1085 CA VAL A 80 -7.507 7.226 7.642 1.00 0.77 C ATOM 1086 C VAL A 80 -7.019 8.658 7.871 1.00 0.86 C ATOM 1087 O VAL A 80 -6.351 8.946 8.868 1.00 0.97 O ATOM 1088 CB VAL A 80 -6.545 6.473 6.698 1.00 0.74 C ATOM 1089 CG1 VAL A 80 -5.120 6.414 7.256 1.00 0.85 C ATOM 1090 CG2 VAL A 80 -6.986 5.024 6.479 1.00 0.68 C ATOM 0 H VAL A 80 -8.913 7.053 6.090 1.00 0.74 H new ATOM 0 HA VAL A 80 -7.523 6.702 8.598 1.00 0.77 H new ATOM 0 HB VAL A 80 -6.567 7.032 5.763 1.00 0.74 H new ATOM 0 HG11 VAL A 80 -4.478 5.875 6.559 1.00 0.85 H new ATOM 0 HG12 VAL A 80 -4.740 7.427 7.391 1.00 0.85 H new ATOM 0 HG13 VAL A 80 -5.126 5.898 8.216 1.00 0.85 H new ATOM 0 HG21 VAL A 80 -6.284 4.527 5.809 1.00 0.68 H new ATOM 0 HG22 VAL A 80 -7.007 4.501 7.435 1.00 0.68 H new ATOM 0 HG23 VAL A 80 -7.982 5.010 6.036 1.00 0.68 H new ATOM 1100 N GLY A 81 -7.354 9.577 6.959 1.00 0.86 N ATOM 1101 CA GLY A 81 -7.036 11.007 7.058 1.00 0.93 C ATOM 1102 C GLY A 81 -5.556 11.325 6.813 1.00 0.99 C ATOM 1103 O GLY A 81 -5.104 12.442 7.072 1.00 1.15 O ATOM 0 H GLY A 81 -7.867 9.342 6.109 1.00 0.86 H new ATOM 0 HA2 GLY A 81 -7.641 11.556 6.337 1.00 0.93 H new ATOM 0 HA3 GLY A 81 -7.317 11.365 8.048 1.00 0.93 H new ATOM 1107 N ASN A 82 -4.812 10.324 6.347 1.00 0.93 N ATOM 1108 CA ASN A 82 -3.403 10.350 5.965 1.00 0.97 C ATOM 1109 C ASN A 82 -3.145 9.179 4.992 1.00 0.93 C ATOM 1110 O ASN A 82 -3.977 8.278 4.870 1.00 0.91 O ATOM 1111 CB ASN A 82 -2.551 10.260 7.256 1.00 1.02 C ATOM 1112 CG ASN A 82 -1.046 10.243 7.034 1.00 1.23 C ATOM 1113 OD1 ASN A 82 -0.356 9.309 7.425 1.00 2.73 O ATOM 1114 ND2 ASN A 82 -0.495 11.252 6.405 1.00 1.84 N ATOM 0 H ASN A 82 -5.214 9.396 6.216 1.00 0.93 H new ATOM 0 HA ASN A 82 -3.129 11.272 5.452 1.00 0.97 H new ATOM 0 HB2 ASN A 82 -2.799 11.106 7.897 1.00 1.02 H new ATOM 0 HB3 ASN A 82 -2.833 9.357 7.797 1.00 1.02 H new ATOM 0 HD21 ASN A 82 0.511 11.262 6.239 1.00 1.84 H new ATOM 0 HD22 ASN A 82 -1.073 12.028 6.081 1.00 1.84 H new ATOM 1121 N MET A 83 -1.992 9.147 4.321 1.00 0.96 N ATOM 1122 CA MET A 83 -1.543 7.990 3.548 1.00 0.93 C ATOM 1123 C MET A 83 -1.407 6.782 4.495 1.00 0.91 C ATOM 1124 O MET A 83 -0.688 6.892 5.493 1.00 1.01 O ATOM 1125 CB MET A 83 -0.212 8.360 2.871 1.00 1.06 C ATOM 1126 CG MET A 83 0.164 7.503 1.658 1.00 1.08 C ATOM 1127 SD MET A 83 -0.504 8.097 0.074 1.00 1.10 S ATOM 1128 CE MET A 83 -2.127 7.298 0.045 1.00 0.99 C ATOM 0 H MET A 83 -1.339 9.930 4.299 1.00 0.96 H new ATOM 0 HA MET A 83 -2.257 7.716 2.771 1.00 0.93 H new ATOM 0 HB2 MET A 83 -0.260 9.403 2.558 1.00 1.06 H new ATOM 0 HB3 MET A 83 0.586 8.285 3.610 1.00 1.06 H new ATOM 0 HG2 MET A 83 1.251 7.458 1.585 1.00 1.08 H new ATOM 0 HG3 MET A 83 -0.187 6.485 1.826 1.00 1.08 H new ATOM 0 HE1 MET A 83 -2.539 7.347 -0.963 1.00 0.99 H new ATOM 0 HE2 MET A 83 -2.025 6.255 0.345 1.00 0.99 H new ATOM 0 HE3 MET A 83 -2.797 7.810 0.736 1.00 0.99 H new ATOM 1138 N PRO A 84 -2.048 5.623 4.233 1.00 0.84 N ATOM 1139 CA PRO A 84 -1.980 4.466 5.127 1.00 0.88 C ATOM 1140 C PRO A 84 -0.595 3.803 5.122 1.00 0.94 C ATOM 1141 O PRO A 84 -0.349 2.882 5.906 1.00 1.04 O ATOM 1142 CB PRO A 84 -3.098 3.523 4.675 1.00 0.88 C ATOM 1143 CG PRO A 84 -3.380 3.887 3.217 1.00 0.84 C ATOM 1144 CD PRO A 84 -2.893 5.337 3.087 1.00 0.82 C ATOM 0 HA PRO A 84 -2.123 4.760 6.167 1.00 0.88 H new ATOM 0 HB2 PRO A 84 -2.792 2.481 4.767 1.00 0.88 H new ATOM 0 HB3 PRO A 84 -3.989 3.649 5.290 1.00 0.88 H new ATOM 0 HG2 PRO A 84 -2.849 3.226 2.532 1.00 0.84 H new ATOM 0 HG3 PRO A 84 -4.441 3.801 2.984 1.00 0.84 H new ATOM 0 HD2 PRO A 84 -2.338 5.472 2.159 1.00 0.82 H new ATOM 0 HD3 PRO A 84 -3.739 6.023 3.055 1.00 0.82 H new ATOM 1152 N TYR A 85 0.311 4.297 4.269 1.00 0.96 N ATOM 1153 CA TYR A 85 1.710 3.878 4.149 1.00 1.11 C ATOM 1154 C TYR A 85 2.695 5.026 4.373 1.00 1.28 C ATOM 1155 O TYR A 85 2.489 6.166 3.898 1.00 2.38 O ATOM 1156 CB TYR A 85 1.930 3.130 2.824 1.00 1.41 C ATOM 1157 CG TYR A 85 1.244 3.710 1.599 1.00 1.14 C ATOM 1158 CD1 TYR A 85 -0.092 3.363 1.325 1.00 1.73 C ATOM 1159 CD2 TYR A 85 1.955 4.516 0.690 1.00 2.20 C ATOM 1160 CE1 TYR A 85 -0.720 3.814 0.147 1.00 1.67 C ATOM 1161 CE2 TYR A 85 1.336 4.957 -0.495 1.00 2.52 C ATOM 1162 CZ TYR A 85 0.000 4.605 -0.776 1.00 1.61 C ATOM 1163 OH TYR A 85 -0.569 5.018 -1.943 1.00 2.08 O ATOM 0 H TYR A 85 0.074 5.039 3.610 1.00 0.96 H new ATOM 0 HA TYR A 85 1.923 3.177 4.956 1.00 1.11 H new ATOM 0 HB2 TYR A 85 3.002 3.089 2.628 1.00 1.41 H new ATOM 0 HB3 TYR A 85 1.590 2.102 2.951 1.00 1.41 H new ATOM 0 HD1 TYR A 85 -0.640 2.747 2.022 1.00 1.73 H new ATOM 0 HD2 TYR A 85 2.976 4.796 0.902 1.00 2.20 H new ATOM 0 HE1 TYR A 85 -1.750 3.555 -0.050 1.00 1.67 H new ATOM 0 HE2 TYR A 85 1.888 5.569 -1.193 1.00 2.52 H new ATOM 0 HH TYR A 85 0.077 5.553 -2.450 1.00 2.08 H new