USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot -128:sc= 1.08 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 128:sc= 0.792! (180deg=-4.49!) USER MOD Set 2.1: A 4 SER OG : rot 31:sc= 1.65 USER MOD Set 2.2: A 12 THR OG1 : rot 108:sc= 0.436! USER MOD Single : A 1 GLY N :NH3+ -161:sc= 1.06 (180deg=0.581) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0538! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.24) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 108:sc= 1.02 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 2.02 K(o=2,f=-7.5!) USER MOD Single : A 44 SER OG : rot 163:sc= 1.36 USER MOD Single : A 45 GLN : amide:sc= 1.03 K(o=1,f=-0.48) USER MOD Single : A 46 SER OG : rot -76:sc= 1.13 USER MOD Single : A 51 SER OG : rot 163:sc= 1.25 USER MOD Single : A 66 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.018) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 114:sc= 0.883 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= -1.77 (180deg=-1.95) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.01) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -19:sc= 1.24 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.851 -26.431 -11.795 1.00 4.47 N ATOM 2 CA GLY A 1 8.335 -26.281 -11.997 1.00 4.81 C ATOM 3 C GLY A 1 9.050 -26.142 -10.644 1.00 4.63 C ATOM 4 O GLY A 1 8.420 -25.954 -9.624 1.00 4.19 O ATOM 0 H1 GLY A 1 6.423 -26.838 -12.651 1.00 4.47 H new ATOM 0 H2 GLY A 1 6.673 -27.060 -10.987 1.00 4.47 H new ATOM 0 H3 GLY A 1 6.430 -25.499 -11.607 1.00 4.47 H new ATOM 0 HA2 GLY A 1 8.724 -27.146 -12.534 1.00 4.81 H new ATOM 0 HA3 GLY A 1 8.538 -25.405 -12.614 1.00 4.81 H new ATOM 10 N SER A 2 10.369 -26.241 -10.632 1.00 5.09 N ATOM 11 CA SER A 2 11.139 -26.129 -9.343 1.00 5.18 C ATOM 12 C SER A 2 10.537 -27.081 -8.291 1.00 4.60 C ATOM 13 O SER A 2 10.054 -28.149 -8.624 1.00 4.27 O ATOM 14 CB SER A 2 10.994 -24.660 -8.921 1.00 5.34 C ATOM 15 OG SER A 2 11.461 -24.503 -7.583 1.00 5.55 O ATOM 0 H SER A 2 10.943 -26.395 -11.461 1.00 5.09 H new ATOM 0 HA SER A 2 12.187 -26.408 -9.450 1.00 5.18 H new ATOM 0 HB2 SER A 2 11.563 -24.019 -9.594 1.00 5.34 H new ATOM 0 HB3 SER A 2 9.951 -24.351 -8.992 1.00 5.34 H new ATOM 0 HG SER A 2 11.371 -23.565 -7.313 1.00 5.55 H new ATOM 21 N MET A 3 10.529 -26.702 -7.035 1.00 4.62 N ATOM 22 CA MET A 3 9.928 -27.583 -5.979 1.00 4.24 C ATOM 23 C MET A 3 8.398 -27.473 -6.027 1.00 3.47 C ATOM 24 O MET A 3 7.728 -27.326 -5.020 1.00 3.14 O ATOM 25 CB MET A 3 10.491 -27.066 -4.653 1.00 4.73 C ATOM 26 CG MET A 3 9.895 -25.694 -4.320 1.00 4.74 C ATOM 27 SD MET A 3 11.196 -24.618 -3.666 1.00 5.50 S ATOM 28 CE MET A 3 10.306 -24.070 -2.195 1.00 5.32 C ATOM 0 H MET A 3 10.912 -25.821 -6.694 1.00 4.62 H new ATOM 0 HA MET A 3 10.170 -28.637 -6.118 1.00 4.24 H new ATOM 0 HB2 MET A 3 10.264 -27.772 -3.854 1.00 4.73 H new ATOM 0 HB3 MET A 3 11.577 -26.993 -4.715 1.00 4.73 H new ATOM 0 HG2 MET A 3 9.455 -25.250 -5.213 1.00 4.74 H new ATOM 0 HG3 MET A 3 9.094 -25.801 -3.589 1.00 4.74 H new ATOM 0 HE1 MET A 3 10.932 -23.382 -1.626 1.00 5.32 H new ATOM 0 HE2 MET A 3 9.388 -23.563 -2.493 1.00 5.32 H new ATOM 0 HE3 MET A 3 10.060 -24.933 -1.576 1.00 5.32 H new ATOM 38 N SER A 4 7.851 -27.547 -7.206 1.00 3.25 N ATOM 39 CA SER A 4 6.377 -27.449 -7.389 1.00 2.58 C ATOM 40 C SER A 4 5.986 -28.159 -8.682 1.00 2.60 C ATOM 41 O SER A 4 5.892 -27.549 -9.736 1.00 2.74 O ATOM 42 CB SER A 4 6.073 -25.954 -7.492 1.00 2.53 C ATOM 43 OG SER A 4 5.953 -25.413 -6.182 1.00 2.22 O ATOM 0 H SER A 4 8.376 -27.674 -8.071 1.00 3.25 H new ATOM 0 HA SER A 4 5.824 -27.911 -6.571 1.00 2.58 H new ATOM 0 HB2 SER A 4 6.868 -25.445 -8.038 1.00 2.53 H new ATOM 0 HB3 SER A 4 5.151 -25.795 -8.051 1.00 2.53 H new ATOM 0 HG SER A 4 6.530 -25.913 -5.567 1.00 2.22 H new ATOM 49 N ILE A 5 5.769 -29.442 -8.616 1.00 2.62 N ATOM 50 CA ILE A 5 5.378 -30.205 -9.835 1.00 2.72 C ATOM 51 C ILE A 5 3.890 -29.951 -10.121 1.00 2.43 C ATOM 52 O ILE A 5 3.398 -28.855 -9.906 1.00 2.19 O ATOM 53 CB ILE A 5 5.649 -31.675 -9.480 1.00 2.99 C ATOM 54 CG1 ILE A 5 4.760 -32.096 -8.286 1.00 2.90 C ATOM 55 CG2 ILE A 5 7.136 -31.842 -9.139 1.00 3.34 C ATOM 56 CD1 ILE A 5 5.492 -33.097 -7.389 1.00 3.23 C ATOM 0 H ILE A 5 5.846 -29.999 -7.765 1.00 2.62 H new ATOM 0 HA ILE A 5 5.928 -29.915 -10.730 1.00 2.72 H new ATOM 0 HB ILE A 5 5.407 -32.315 -10.328 1.00 2.99 H new ATOM 0 HG12 ILE A 5 4.482 -31.216 -7.706 1.00 2.90 H new ATOM 0 HG13 ILE A 5 3.835 -32.540 -8.654 1.00 2.90 H new ATOM 0 HG21 ILE A 5 7.337 -32.883 -8.886 1.00 3.34 H new ATOM 0 HG22 ILE A 5 7.741 -31.555 -9.999 1.00 3.34 H new ATOM 0 HG23 ILE A 5 7.388 -31.207 -8.290 1.00 3.34 H new ATOM 0 HD11 ILE A 5 4.847 -33.379 -6.556 1.00 3.23 H new ATOM 0 HD12 ILE A 5 5.747 -33.985 -7.967 1.00 3.23 H new ATOM 0 HD13 ILE A 5 6.404 -32.641 -7.004 1.00 3.23 H new ATOM 68 N MET A 6 3.167 -30.947 -10.581 1.00 2.55 N ATOM 69 CA MET A 6 1.706 -30.770 -10.862 1.00 2.43 C ATOM 70 C MET A 6 1.458 -29.765 -11.988 1.00 2.44 C ATOM 71 O MET A 6 0.863 -30.108 -12.992 1.00 2.65 O ATOM 72 CB MET A 6 1.116 -30.265 -9.547 1.00 2.19 C ATOM 73 CG MET A 6 0.218 -31.337 -8.945 1.00 2.40 C ATOM 74 SD MET A 6 -0.824 -30.583 -7.675 1.00 3.20 S ATOM 75 CE MET A 6 -2.182 -31.770 -7.777 1.00 3.52 C ATOM 0 H MET A 6 3.530 -31.880 -10.775 1.00 2.55 H new ATOM 0 HA MET A 6 1.249 -31.701 -11.197 1.00 2.43 H new ATOM 0 HB2 MET A 6 1.916 -30.013 -8.851 1.00 2.19 H new ATOM 0 HB3 MET A 6 0.545 -29.353 -9.720 1.00 2.19 H new ATOM 0 HG2 MET A 6 -0.400 -31.789 -9.720 1.00 2.40 H new ATOM 0 HG3 MET A 6 0.822 -32.135 -8.512 1.00 2.40 H new ATOM 0 HE1 MET A 6 -2.959 -31.496 -7.063 1.00 3.52 H new ATOM 0 HE2 MET A 6 -2.596 -31.763 -8.785 1.00 3.52 H new ATOM 0 HE3 MET A 6 -1.811 -32.768 -7.544 1.00 3.52 H new ATOM 85 N ASP A 7 1.877 -28.532 -11.820 1.00 2.34 N ATOM 86 CA ASP A 7 1.649 -27.481 -12.859 1.00 2.54 C ATOM 87 C ASP A 7 0.142 -27.180 -12.997 1.00 2.58 C ATOM 88 O ASP A 7 -0.262 -26.033 -13.014 1.00 2.69 O ATOM 89 CB ASP A 7 2.248 -28.050 -14.147 1.00 2.87 C ATOM 90 CG ASP A 7 3.479 -27.232 -14.535 1.00 2.81 C ATOM 91 OD1 ASP A 7 3.310 -26.083 -14.902 1.00 3.44 O ATOM 92 OD2 ASP A 7 4.573 -27.763 -14.446 1.00 2.61 O ATOM 0 H ASP A 7 2.376 -28.206 -10.992 1.00 2.34 H new ATOM 0 HA ASP A 7 2.117 -26.530 -12.604 1.00 2.54 H new ATOM 0 HB2 ASP A 7 2.522 -29.095 -14.004 1.00 2.87 H new ATOM 0 HB3 ASP A 7 1.510 -28.021 -14.949 1.00 2.87 H new ATOM 97 N HIS A 8 -0.696 -28.193 -13.056 1.00 2.62 N ATOM 98 CA HIS A 8 -2.168 -27.941 -13.151 1.00 2.79 C ATOM 99 C HIS A 8 -2.685 -27.294 -11.858 1.00 2.63 C ATOM 100 O HIS A 8 -3.655 -26.562 -11.866 1.00 2.88 O ATOM 101 CB HIS A 8 -2.814 -29.321 -13.339 1.00 2.95 C ATOM 102 CG HIS A 8 -3.761 -29.284 -14.506 1.00 3.46 C ATOM 103 ND1 HIS A 8 -4.619 -28.218 -14.732 1.00 4.17 N ATOM 104 CD2 HIS A 8 -3.996 -30.177 -15.519 1.00 3.69 C ATOM 105 CE1 HIS A 8 -5.323 -28.498 -15.846 1.00 4.69 C ATOM 106 NE2 HIS A 8 -4.981 -29.682 -16.363 1.00 4.33 N ATOM 0 H HIS A 8 -0.423 -29.176 -13.042 1.00 2.62 H new ATOM 0 HA HIS A 8 -2.405 -27.264 -13.972 1.00 2.79 H new ATOM 0 HB2 HIS A 8 -2.044 -30.074 -13.507 1.00 2.95 H new ATOM 0 HB3 HIS A 8 -3.349 -29.609 -12.434 1.00 2.95 H new ATOM 0 HD2 HIS A 8 -3.491 -31.124 -15.642 1.00 3.69 H new ATOM 0 HE1 HIS A 8 -6.072 -27.845 -16.269 1.00 4.69 H new ATOM 0 HE2 HIS A 8 -5.362 -30.127 -17.198 1.00 4.33 H new ATOM 114 N SER A 9 -2.040 -27.573 -10.751 1.00 2.29 N ATOM 115 CA SER A 9 -2.472 -26.998 -9.443 1.00 2.17 C ATOM 116 C SER A 9 -1.303 -26.980 -8.441 1.00 1.84 C ATOM 117 O SER A 9 -1.345 -27.657 -7.430 1.00 1.83 O ATOM 118 CB SER A 9 -3.578 -27.932 -8.953 1.00 2.38 C ATOM 119 OG SER A 9 -4.781 -27.191 -8.798 1.00 2.36 O ATOM 0 H SER A 9 -1.223 -28.182 -10.700 1.00 2.29 H new ATOM 0 HA SER A 9 -2.812 -25.967 -9.543 1.00 2.17 H new ATOM 0 HB2 SER A 9 -3.726 -28.744 -9.665 1.00 2.38 H new ATOM 0 HB3 SER A 9 -3.292 -28.387 -8.005 1.00 2.38 H new ATOM 0 HG SER A 9 -5.494 -27.786 -8.485 1.00 2.36 H new ATOM 125 N PRO A 10 -0.290 -26.205 -8.748 1.00 1.72 N ATOM 126 CA PRO A 10 0.887 -26.115 -7.846 1.00 1.55 C ATOM 127 C PRO A 10 0.530 -25.330 -6.576 1.00 1.42 C ATOM 128 O PRO A 10 0.699 -24.123 -6.509 1.00 1.38 O ATOM 129 CB PRO A 10 1.927 -25.372 -8.682 1.00 1.66 C ATOM 130 CG PRO A 10 1.131 -24.582 -9.673 1.00 1.84 C ATOM 131 CD PRO A 10 -0.142 -25.348 -9.933 1.00 1.90 C ATOM 0 HA PRO A 10 1.244 -27.087 -7.506 1.00 1.55 H new ATOM 0 HB2 PRO A 10 2.542 -24.721 -8.060 1.00 1.66 H new ATOM 0 HB3 PRO A 10 2.602 -26.067 -9.181 1.00 1.66 H new ATOM 0 HG2 PRO A 10 0.910 -23.588 -9.284 1.00 1.84 H new ATOM 0 HG3 PRO A 10 1.693 -24.445 -10.597 1.00 1.84 H new ATOM 0 HD2 PRO A 10 -0.994 -24.678 -10.050 1.00 1.90 H new ATOM 0 HD3 PRO A 10 -0.073 -25.939 -10.847 1.00 1.90 H new ATOM 139 N THR A 11 0.036 -26.006 -5.567 1.00 1.44 N ATOM 140 CA THR A 11 -0.333 -25.300 -4.294 1.00 1.42 C ATOM 141 C THR A 11 0.866 -24.502 -3.762 1.00 1.27 C ATOM 142 O THR A 11 0.725 -23.376 -3.325 1.00 1.25 O ATOM 143 CB THR A 11 -0.751 -26.399 -3.302 1.00 1.57 C ATOM 144 OG1 THR A 11 -1.115 -25.797 -2.074 1.00 1.67 O ATOM 145 CG2 THR A 11 0.398 -27.376 -3.052 1.00 1.61 C ATOM 0 H THR A 11 -0.128 -27.013 -5.567 1.00 1.44 H new ATOM 0 HA THR A 11 -1.143 -24.587 -4.448 1.00 1.42 H new ATOM 0 HB THR A 11 -1.592 -26.948 -3.726 1.00 1.57 H new ATOM 0 HG1 THR A 11 -1.384 -26.491 -1.437 1.00 1.67 H new ATOM 0 HG21 THR A 11 0.077 -28.143 -2.347 1.00 1.61 H new ATOM 0 HG22 THR A 11 0.688 -27.845 -3.992 1.00 1.61 H new ATOM 0 HG23 THR A 11 1.250 -26.837 -2.638 1.00 1.61 H new ATOM 153 N THR A 12 2.049 -25.061 -3.835 1.00 1.23 N ATOM 154 CA THR A 12 3.266 -24.327 -3.367 1.00 1.19 C ATOM 155 C THR A 12 3.450 -23.057 -4.197 1.00 1.08 C ATOM 156 O THR A 12 3.799 -22.009 -3.685 1.00 1.06 O ATOM 157 CB THR A 12 4.425 -25.298 -3.595 1.00 1.26 C ATOM 158 OG1 THR A 12 4.203 -26.017 -4.798 1.00 1.27 O ATOM 159 CG2 THR A 12 4.515 -26.285 -2.435 1.00 1.46 C ATOM 0 H THR A 12 2.225 -25.997 -4.200 1.00 1.23 H new ATOM 0 HA THR A 12 3.198 -24.021 -2.323 1.00 1.19 H new ATOM 0 HB THR A 12 5.355 -24.734 -3.662 1.00 1.26 H new ATOM 0 HG1 THR A 12 4.825 -25.702 -5.487 1.00 1.27 H new ATOM 0 HG21 THR A 12 5.343 -26.973 -2.606 1.00 1.46 H new ATOM 0 HG22 THR A 12 4.682 -25.740 -1.506 1.00 1.46 H new ATOM 0 HG23 THR A 12 3.585 -26.848 -2.363 1.00 1.46 H new ATOM 167 N GLY A 13 3.188 -23.140 -5.473 1.00 1.09 N ATOM 168 CA GLY A 13 3.311 -21.939 -6.354 1.00 1.09 C ATOM 169 C GLY A 13 2.182 -20.966 -6.016 1.00 1.07 C ATOM 170 O GLY A 13 2.419 -19.802 -5.753 1.00 1.04 O ATOM 0 H GLY A 13 2.892 -23.993 -5.948 1.00 1.09 H new ATOM 0 HA2 GLY A 13 4.279 -21.460 -6.207 1.00 1.09 H new ATOM 0 HA3 GLY A 13 3.256 -22.232 -7.402 1.00 1.09 H new ATOM 174 N VAL A 14 0.959 -21.446 -5.996 1.00 1.15 N ATOM 175 CA VAL A 14 -0.196 -20.558 -5.643 1.00 1.21 C ATOM 176 C VAL A 14 0.061 -19.911 -4.274 1.00 1.13 C ATOM 177 O VAL A 14 -0.192 -18.739 -4.072 1.00 1.14 O ATOM 178 CB VAL A 14 -1.420 -21.487 -5.596 1.00 1.36 C ATOM 179 CG1 VAL A 14 -2.569 -20.805 -4.848 1.00 1.71 C ATOM 180 CG2 VAL A 14 -1.874 -21.802 -7.022 1.00 1.65 C ATOM 0 H VAL A 14 0.712 -22.412 -6.209 1.00 1.15 H new ATOM 0 HA VAL A 14 -0.344 -19.749 -6.359 1.00 1.21 H new ATOM 0 HB VAL A 14 -1.146 -22.407 -5.079 1.00 1.36 H new ATOM 0 HG11 VAL A 14 -3.431 -21.471 -4.820 1.00 1.71 H new ATOM 0 HG12 VAL A 14 -2.255 -20.575 -3.830 1.00 1.71 H new ATOM 0 HG13 VAL A 14 -2.840 -19.882 -5.361 1.00 1.71 H new ATOM 0 HG21 VAL A 14 -2.742 -22.461 -6.990 1.00 1.65 H new ATOM 0 HG22 VAL A 14 -2.140 -20.876 -7.532 1.00 1.65 H new ATOM 0 HG23 VAL A 14 -1.065 -22.294 -7.561 1.00 1.65 H new ATOM 190 N VAL A 15 0.595 -20.661 -3.346 1.00 1.09 N ATOM 191 CA VAL A 15 0.904 -20.084 -2.001 1.00 1.08 C ATOM 192 C VAL A 15 2.058 -19.089 -2.138 1.00 0.98 C ATOM 193 O VAL A 15 2.034 -18.012 -1.577 1.00 0.98 O ATOM 194 CB VAL A 15 1.298 -21.283 -1.124 1.00 1.16 C ATOM 195 CG1 VAL A 15 1.996 -20.796 0.149 1.00 1.22 C ATOM 196 CG2 VAL A 15 0.041 -22.067 -0.737 1.00 1.32 C ATOM 0 H VAL A 15 0.831 -21.647 -3.459 1.00 1.09 H new ATOM 0 HA VAL A 15 0.063 -19.545 -1.564 1.00 1.08 H new ATOM 0 HB VAL A 15 1.978 -21.924 -1.685 1.00 1.16 H new ATOM 0 HG11 VAL A 15 2.271 -21.653 0.764 1.00 1.22 H new ATOM 0 HG12 VAL A 15 2.893 -20.238 -0.119 1.00 1.22 H new ATOM 0 HG13 VAL A 15 1.321 -20.149 0.710 1.00 1.22 H new ATOM 0 HG21 VAL A 15 0.320 -22.918 -0.115 1.00 1.32 H new ATOM 0 HG22 VAL A 15 -0.636 -21.418 -0.182 1.00 1.32 H new ATOM 0 HG23 VAL A 15 -0.457 -22.424 -1.638 1.00 1.32 H new ATOM 206 N THR A 16 3.055 -19.448 -2.902 1.00 0.96 N ATOM 207 CA THR A 16 4.222 -18.532 -3.113 1.00 0.94 C ATOM 208 C THR A 16 3.742 -17.195 -3.680 1.00 0.93 C ATOM 209 O THR A 16 4.036 -16.142 -3.144 1.00 0.93 O ATOM 210 CB THR A 16 5.136 -19.248 -4.118 1.00 0.99 C ATOM 211 OG1 THR A 16 5.630 -20.447 -3.539 1.00 1.06 O ATOM 212 CG2 THR A 16 6.317 -18.347 -4.481 1.00 1.11 C ATOM 0 H THR A 16 3.115 -20.340 -3.393 1.00 0.96 H new ATOM 0 HA THR A 16 4.746 -18.318 -2.181 1.00 0.94 H new ATOM 0 HB THR A 16 4.564 -19.478 -5.017 1.00 0.99 H new ATOM 0 HG1 THR A 16 5.190 -21.217 -3.956 1.00 1.06 H new ATOM 0 HG21 THR A 16 6.961 -18.861 -5.194 1.00 1.11 H new ATOM 0 HG22 THR A 16 5.947 -17.424 -4.927 1.00 1.11 H new ATOM 0 HG23 THR A 16 6.886 -18.113 -3.581 1.00 1.11 H new ATOM 220 N VAL A 17 2.994 -17.231 -4.749 1.00 0.96 N ATOM 221 CA VAL A 17 2.483 -15.960 -5.345 1.00 1.03 C ATOM 222 C VAL A 17 1.532 -15.263 -4.362 1.00 1.03 C ATOM 223 O VAL A 17 1.542 -14.056 -4.248 1.00 1.05 O ATOM 224 CB VAL A 17 1.767 -16.348 -6.647 1.00 1.16 C ATOM 225 CG1 VAL A 17 2.752 -17.033 -7.597 1.00 1.21 C ATOM 226 CG2 VAL A 17 0.600 -17.297 -6.365 1.00 1.20 C ATOM 0 H VAL A 17 2.714 -18.083 -5.236 1.00 0.96 H new ATOM 0 HA VAL A 17 3.289 -15.256 -5.553 1.00 1.03 H new ATOM 0 HB VAL A 17 1.379 -15.438 -7.106 1.00 1.16 H new ATOM 0 HG11 VAL A 17 2.238 -17.306 -8.519 1.00 1.21 H new ATOM 0 HG12 VAL A 17 3.571 -16.351 -7.826 1.00 1.21 H new ATOM 0 HG13 VAL A 17 3.149 -17.931 -7.124 1.00 1.21 H new ATOM 0 HG21 VAL A 17 0.108 -17.558 -7.302 1.00 1.20 H new ATOM 0 HG22 VAL A 17 0.975 -18.202 -5.888 1.00 1.20 H new ATOM 0 HG23 VAL A 17 -0.115 -16.808 -5.704 1.00 1.20 H new ATOM 236 N ILE A 18 0.732 -16.007 -3.629 1.00 1.04 N ATOM 237 CA ILE A 18 -0.186 -15.357 -2.636 1.00 1.10 C ATOM 238 C ILE A 18 0.641 -14.711 -1.529 1.00 1.04 C ATOM 239 O ILE A 18 0.360 -13.612 -1.106 1.00 1.09 O ATOM 240 CB ILE A 18 -1.079 -16.483 -2.093 1.00 1.20 C ATOM 241 CG1 ILE A 18 -2.206 -16.765 -3.092 1.00 1.35 C ATOM 242 CG2 ILE A 18 -1.691 -16.065 -0.753 1.00 1.32 C ATOM 243 CD1 ILE A 18 -2.967 -18.024 -2.667 1.00 1.49 C ATOM 0 H ILE A 18 0.675 -17.024 -3.675 1.00 1.04 H new ATOM 0 HA ILE A 18 -0.794 -14.568 -3.079 1.00 1.10 H new ATOM 0 HB ILE A 18 -0.475 -17.379 -1.951 1.00 1.20 H new ATOM 0 HG12 ILE A 18 -2.886 -15.915 -3.137 1.00 1.35 H new ATOM 0 HG13 ILE A 18 -1.794 -16.897 -4.092 1.00 1.35 H new ATOM 0 HG21 ILE A 18 -2.323 -16.869 -0.375 1.00 1.32 H new ATOM 0 HG22 ILE A 18 -0.895 -15.862 -0.037 1.00 1.32 H new ATOM 0 HG23 ILE A 18 -2.292 -15.166 -0.892 1.00 1.32 H new ATOM 0 HD11 ILE A 18 -3.768 -18.223 -3.379 1.00 1.49 H new ATOM 0 HD12 ILE A 18 -2.283 -18.872 -2.644 1.00 1.49 H new ATOM 0 HD13 ILE A 18 -3.392 -17.874 -1.675 1.00 1.49 H new ATOM 255 N VAL A 19 1.673 -15.365 -1.082 1.00 0.99 N ATOM 256 CA VAL A 19 2.537 -14.754 -0.027 1.00 1.01 C ATOM 257 C VAL A 19 3.203 -13.500 -0.608 1.00 0.97 C ATOM 258 O VAL A 19 3.217 -12.452 0.010 1.00 1.01 O ATOM 259 CB VAL A 19 3.574 -15.829 0.330 1.00 1.04 C ATOM 260 CG1 VAL A 19 4.703 -15.216 1.165 1.00 1.16 C ATOM 261 CG2 VAL A 19 2.901 -16.938 1.144 1.00 1.19 C ATOM 0 H VAL A 19 1.958 -16.292 -1.397 1.00 0.99 H new ATOM 0 HA VAL A 19 1.983 -14.450 0.861 1.00 1.01 H new ATOM 0 HB VAL A 19 3.987 -16.239 -0.592 1.00 1.04 H new ATOM 0 HG11 VAL A 19 5.432 -15.987 1.412 1.00 1.16 H new ATOM 0 HG12 VAL A 19 5.190 -14.426 0.594 1.00 1.16 H new ATOM 0 HG13 VAL A 19 4.291 -14.798 2.084 1.00 1.16 H new ATOM 0 HG21 VAL A 19 3.637 -17.701 1.397 1.00 1.19 H new ATOM 0 HG22 VAL A 19 2.485 -16.516 2.059 1.00 1.19 H new ATOM 0 HG23 VAL A 19 2.101 -17.387 0.555 1.00 1.19 H new ATOM 271 N ILE A 20 3.725 -13.595 -1.809 1.00 0.94 N ATOM 272 CA ILE A 20 4.356 -12.399 -2.449 1.00 0.98 C ATOM 273 C ILE A 20 3.296 -11.314 -2.630 1.00 1.01 C ATOM 274 O ILE A 20 3.503 -10.162 -2.295 1.00 1.05 O ATOM 275 CB ILE A 20 4.882 -12.890 -3.805 1.00 1.04 C ATOM 276 CG1 ILE A 20 6.059 -13.844 -3.581 1.00 1.07 C ATOM 277 CG2 ILE A 20 5.354 -11.698 -4.641 1.00 1.20 C ATOM 278 CD1 ILE A 20 6.374 -14.588 -4.882 1.00 1.16 C ATOM 0 H ILE A 20 3.741 -14.446 -2.371 1.00 0.94 H new ATOM 0 HA ILE A 20 5.161 -11.973 -1.851 1.00 0.98 H new ATOM 0 HB ILE A 20 4.081 -13.409 -4.332 1.00 1.04 H new ATOM 0 HG12 ILE A 20 6.934 -13.286 -3.249 1.00 1.07 H new ATOM 0 HG13 ILE A 20 5.817 -14.557 -2.792 1.00 1.07 H new ATOM 0 HG21 ILE A 20 5.726 -12.052 -5.602 1.00 1.20 H new ATOM 0 HG22 ILE A 20 4.520 -11.015 -4.804 1.00 1.20 H new ATOM 0 HG23 ILE A 20 6.152 -11.176 -4.113 1.00 1.20 H new ATOM 0 HD11 ILE A 20 7.212 -15.266 -4.720 1.00 1.16 H new ATOM 0 HD12 ILE A 20 5.500 -15.159 -5.195 1.00 1.16 H new ATOM 0 HD13 ILE A 20 6.634 -13.869 -5.659 1.00 1.16 H new ATOM 290 N LEU A 21 2.150 -11.689 -3.130 1.00 1.03 N ATOM 291 CA LEU A 21 1.043 -10.702 -3.309 1.00 1.13 C ATOM 292 C LEU A 21 0.678 -10.113 -1.944 1.00 1.14 C ATOM 293 O LEU A 21 0.615 -8.907 -1.776 1.00 1.19 O ATOM 294 CB LEU A 21 -0.127 -11.503 -3.891 1.00 1.22 C ATOM 295 CG LEU A 21 -0.021 -11.536 -5.416 1.00 1.34 C ATOM 296 CD1 LEU A 21 -0.842 -12.707 -5.959 1.00 1.43 C ATOM 297 CD2 LEU A 21 -0.563 -10.227 -5.992 1.00 1.63 C ATOM 0 H LEU A 21 1.930 -12.641 -3.424 1.00 1.03 H new ATOM 0 HA LEU A 21 1.313 -9.874 -3.964 1.00 1.13 H new ATOM 0 HB2 LEU A 21 -0.118 -12.518 -3.494 1.00 1.22 H new ATOM 0 HB3 LEU A 21 -1.073 -11.052 -3.592 1.00 1.22 H new ATOM 0 HG LEU A 21 1.023 -11.658 -5.705 1.00 1.34 H new ATOM 0 HD11 LEU A 21 -0.767 -12.731 -7.046 1.00 1.43 H new ATOM 0 HD12 LEU A 21 -0.459 -13.641 -5.548 1.00 1.43 H new ATOM 0 HD13 LEU A 21 -1.886 -12.584 -5.670 1.00 1.43 H new ATOM 0 HD21 LEU A 21 -0.488 -10.249 -7.079 1.00 1.63 H new ATOM 0 HD22 LEU A 21 -1.607 -10.107 -5.703 1.00 1.63 H new ATOM 0 HD23 LEU A 21 0.019 -9.391 -5.605 1.00 1.63 H new ATOM 309 N ILE A 22 0.468 -10.956 -0.958 1.00 1.13 N ATOM 310 CA ILE A 22 0.140 -10.443 0.410 1.00 1.19 C ATOM 311 C ILE A 22 1.253 -9.498 0.880 1.00 1.15 C ATOM 312 O ILE A 22 0.996 -8.436 1.419 1.00 1.21 O ATOM 313 CB ILE A 22 0.054 -11.689 1.307 1.00 1.23 C ATOM 314 CG1 ILE A 22 -1.292 -12.387 1.086 1.00 1.35 C ATOM 315 CG2 ILE A 22 0.171 -11.286 2.782 1.00 1.36 C ATOM 316 CD1 ILE A 22 -1.278 -13.756 1.770 1.00 1.39 C ATOM 0 H ILE A 22 0.510 -11.972 -1.042 1.00 1.13 H new ATOM 0 HA ILE A 22 -0.793 -9.880 0.435 1.00 1.19 H new ATOM 0 HB ILE A 22 0.870 -12.364 1.051 1.00 1.23 H new ATOM 0 HG12 ILE A 22 -2.100 -11.776 1.488 1.00 1.35 H new ATOM 0 HG13 ILE A 22 -1.482 -12.504 0.019 1.00 1.35 H new ATOM 0 HG21 ILE A 22 0.109 -12.176 3.408 1.00 1.36 H new ATOM 0 HG22 ILE A 22 1.128 -10.791 2.949 1.00 1.36 H new ATOM 0 HG23 ILE A 22 -0.640 -10.604 3.038 1.00 1.36 H new ATOM 0 HD11 ILE A 22 -2.236 -14.251 1.612 1.00 1.39 H new ATOM 0 HD12 ILE A 22 -0.480 -14.366 1.347 1.00 1.39 H new ATOM 0 HD13 ILE A 22 -1.108 -13.627 2.839 1.00 1.39 H new ATOM 328 N ALA A 23 2.486 -9.873 0.654 1.00 1.09 N ATOM 329 CA ALA A 23 3.626 -8.996 1.063 1.00 1.10 C ATOM 330 C ALA A 23 3.584 -7.683 0.273 1.00 1.09 C ATOM 331 O ALA A 23 3.702 -6.612 0.839 1.00 1.14 O ATOM 332 CB ALA A 23 4.887 -9.799 0.733 1.00 1.11 C ATOM 0 H ALA A 23 2.753 -10.748 0.204 1.00 1.09 H new ATOM 0 HA ALA A 23 3.590 -8.728 2.119 1.00 1.10 H new ATOM 0 HB1 ALA A 23 5.769 -9.220 1.006 1.00 1.11 H new ATOM 0 HB2 ALA A 23 4.880 -10.734 1.293 1.00 1.11 H new ATOM 0 HB3 ALA A 23 4.911 -10.016 -0.335 1.00 1.11 H new ATOM 338 N ILE A 24 3.393 -7.750 -1.024 1.00 1.08 N ATOM 339 CA ILE A 24 3.316 -6.496 -1.838 1.00 1.13 C ATOM 340 C ILE A 24 2.154 -5.637 -1.324 1.00 1.15 C ATOM 341 O ILE A 24 2.296 -4.448 -1.107 1.00 1.18 O ATOM 342 CB ILE A 24 3.064 -6.956 -3.281 1.00 1.19 C ATOM 343 CG1 ILE A 24 4.351 -7.562 -3.861 1.00 1.24 C ATOM 344 CG2 ILE A 24 2.631 -5.766 -4.145 1.00 1.32 C ATOM 345 CD1 ILE A 24 5.440 -6.486 -3.967 1.00 1.39 C ATOM 0 H ILE A 24 3.288 -8.616 -1.552 1.00 1.08 H new ATOM 0 HA ILE A 24 4.223 -5.895 -1.774 1.00 1.13 H new ATOM 0 HB ILE A 24 2.273 -7.706 -3.280 1.00 1.19 H new ATOM 0 HG12 ILE A 24 4.696 -8.378 -3.226 1.00 1.24 H new ATOM 0 HG13 ILE A 24 4.151 -7.986 -4.845 1.00 1.24 H new ATOM 0 HG21 ILE A 24 2.455 -6.103 -5.167 1.00 1.32 H new ATOM 0 HG22 ILE A 24 1.714 -5.338 -3.741 1.00 1.32 H new ATOM 0 HG23 ILE A 24 3.416 -5.010 -4.143 1.00 1.32 H new ATOM 0 HD11 ILE A 24 6.348 -6.926 -4.379 1.00 1.39 H new ATOM 0 HD12 ILE A 24 5.097 -5.684 -4.620 1.00 1.39 H new ATOM 0 HD13 ILE A 24 5.650 -6.082 -2.977 1.00 1.39 H new ATOM 357 N ALA A 25 1.011 -6.244 -1.107 1.00 1.18 N ATOM 358 CA ALA A 25 -0.159 -5.476 -0.584 1.00 1.25 C ATOM 359 C ALA A 25 0.175 -4.905 0.795 1.00 1.24 C ATOM 360 O ALA A 25 -0.074 -3.745 1.074 1.00 1.28 O ATOM 361 CB ALA A 25 -1.302 -6.492 -0.499 1.00 1.33 C ATOM 0 H ALA A 25 0.840 -7.236 -1.270 1.00 1.18 H new ATOM 0 HA ALA A 25 -0.427 -4.633 -1.221 1.00 1.25 H new ATOM 0 HB1 ALA A 25 -2.199 -6.000 -0.122 1.00 1.33 H new ATOM 0 HB2 ALA A 25 -1.501 -6.899 -1.490 1.00 1.33 H new ATOM 0 HB3 ALA A 25 -1.021 -7.301 0.175 1.00 1.33 H new ATOM 367 N ALA A 26 0.763 -5.703 1.648 1.00 1.22 N ATOM 368 CA ALA A 26 1.146 -5.201 3.002 1.00 1.26 C ATOM 369 C ALA A 26 2.150 -4.056 2.846 1.00 1.21 C ATOM 370 O ALA A 26 2.033 -3.026 3.483 1.00 1.24 O ATOM 371 CB ALA A 26 1.779 -6.398 3.715 1.00 1.29 C ATOM 0 H ALA A 26 0.994 -6.680 1.466 1.00 1.22 H new ATOM 0 HA ALA A 26 0.298 -4.815 3.568 1.00 1.26 H new ATOM 0 HB1 ALA A 26 2.086 -6.103 4.719 1.00 1.29 H new ATOM 0 HB2 ALA A 26 1.053 -7.208 3.781 1.00 1.29 H new ATOM 0 HB3 ALA A 26 2.650 -6.737 3.154 1.00 1.29 H new ATOM 377 N LEU A 27 3.117 -4.216 1.973 1.00 1.18 N ATOM 378 CA LEU A 27 4.108 -3.126 1.737 1.00 1.17 C ATOM 379 C LEU A 27 3.367 -1.891 1.207 1.00 1.15 C ATOM 380 O LEU A 27 3.544 -0.793 1.705 1.00 1.16 O ATOM 381 CB LEU A 27 5.074 -3.687 0.686 1.00 1.17 C ATOM 382 CG LEU A 27 5.936 -2.557 0.118 1.00 1.24 C ATOM 383 CD1 LEU A 27 7.409 -2.956 0.179 1.00 1.35 C ATOM 384 CD2 LEU A 27 5.545 -2.298 -1.338 1.00 1.27 C ATOM 0 H LEU A 27 3.260 -5.057 1.414 1.00 1.18 H new ATOM 0 HA LEU A 27 4.642 -2.825 2.638 1.00 1.17 H new ATOM 0 HB2 LEU A 27 5.709 -4.451 1.134 1.00 1.17 H new ATOM 0 HB3 LEU A 27 4.514 -4.168 -0.116 1.00 1.17 H new ATOM 0 HG LEU A 27 5.777 -1.653 0.707 1.00 1.24 H new ATOM 0 HD11 LEU A 27 8.021 -2.150 -0.226 1.00 1.35 H new ATOM 0 HD12 LEU A 27 7.693 -3.142 1.215 1.00 1.35 H new ATOM 0 HD13 LEU A 27 7.565 -3.861 -0.408 1.00 1.35 H new ATOM 0 HD21 LEU A 27 6.159 -1.493 -1.742 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.703 -3.204 -1.924 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.494 -2.012 -1.387 1.00 1.27 H new ATOM 396 N GLY A 28 2.517 -2.074 0.220 1.00 1.16 N ATOM 397 CA GLY A 28 1.739 -0.923 -0.329 1.00 1.19 C ATOM 398 C GLY A 28 0.940 -0.281 0.805 1.00 1.22 C ATOM 399 O GLY A 28 0.915 0.929 0.949 1.00 1.25 O ATOM 0 H GLY A 28 2.332 -2.972 -0.226 1.00 1.16 H new ATOM 0 HA2 GLY A 28 2.412 -0.192 -0.777 1.00 1.19 H new ATOM 0 HA3 GLY A 28 1.068 -1.263 -1.118 1.00 1.19 H new ATOM 403 N ALA A 29 0.302 -1.083 1.629 1.00 1.26 N ATOM 404 CA ALA A 29 -0.478 -0.517 2.772 1.00 1.34 C ATOM 405 C ALA A 29 0.466 0.190 3.746 1.00 1.32 C ATOM 406 O ALA A 29 0.190 1.280 4.211 1.00 1.37 O ATOM 407 CB ALA A 29 -1.157 -1.720 3.434 1.00 1.42 C ATOM 0 H ALA A 29 0.290 -2.100 1.557 1.00 1.26 H new ATOM 0 HA ALA A 29 -1.211 0.223 2.451 1.00 1.34 H new ATOM 0 HB1 ALA A 29 -1.749 -1.381 4.284 1.00 1.42 H new ATOM 0 HB2 ALA A 29 -1.808 -2.213 2.712 1.00 1.42 H new ATOM 0 HB3 ALA A 29 -0.398 -2.423 3.778 1.00 1.42 H new ATOM 413 N LEU A 30 1.587 -0.414 4.032 1.00 1.30 N ATOM 414 CA LEU A 30 2.576 0.227 4.952 1.00 1.33 C ATOM 415 C LEU A 30 3.025 1.567 4.357 1.00 1.27 C ATOM 416 O LEU A 30 3.141 2.559 5.054 1.00 1.32 O ATOM 417 CB LEU A 30 3.752 -0.756 5.031 1.00 1.35 C ATOM 418 CG LEU A 30 3.554 -1.702 6.217 1.00 1.49 C ATOM 419 CD1 LEU A 30 4.437 -2.936 6.036 1.00 1.55 C ATOM 420 CD2 LEU A 30 3.946 -0.985 7.509 1.00 1.72 C ATOM 0 H LEU A 30 1.863 -1.326 3.668 1.00 1.30 H new ATOM 0 HA LEU A 30 2.163 0.430 5.940 1.00 1.33 H new ATOM 0 HB2 LEU A 30 3.824 -1.327 4.106 1.00 1.35 H new ATOM 0 HB3 LEU A 30 4.689 -0.210 5.142 1.00 1.35 H new ATOM 0 HG LEU A 30 2.508 -2.006 6.270 1.00 1.49 H new ATOM 0 HD11 LEU A 30 4.297 -3.611 6.880 1.00 1.55 H new ATOM 0 HD12 LEU A 30 4.163 -3.447 5.113 1.00 1.55 H new ATOM 0 HD13 LEU A 30 5.482 -2.631 5.985 1.00 1.55 H new ATOM 0 HD21 LEU A 30 3.806 -1.657 8.355 1.00 1.72 H new ATOM 0 HD22 LEU A 30 4.992 -0.683 7.455 1.00 1.72 H new ATOM 0 HD23 LEU A 30 3.320 -0.102 7.639 1.00 1.72 H new ATOM 432 N ILE A 31 3.252 1.605 3.065 1.00 1.19 N ATOM 433 CA ILE A 31 3.672 2.883 2.410 1.00 1.15 C ATOM 434 C ILE A 31 2.496 3.872 2.426 1.00 1.16 C ATOM 435 O ILE A 31 2.621 4.989 2.896 1.00 1.18 O ATOM 436 CB ILE A 31 4.060 2.496 0.975 1.00 1.13 C ATOM 437 CG1 ILE A 31 5.324 1.632 1.001 1.00 1.12 C ATOM 438 CG2 ILE A 31 4.338 3.754 0.149 1.00 1.24 C ATOM 439 CD1 ILE A 31 5.549 1.007 -0.379 1.00 1.25 C ATOM 0 H ILE A 31 3.164 0.806 2.437 1.00 1.19 H new ATOM 0 HA ILE A 31 4.504 3.368 2.920 1.00 1.15 H new ATOM 0 HB ILE A 31 3.237 1.940 0.526 1.00 1.13 H new ATOM 0 HG12 ILE A 31 6.185 2.238 1.281 1.00 1.12 H new ATOM 0 HG13 ILE A 31 5.226 0.850 1.754 1.00 1.12 H new ATOM 0 HG21 ILE A 31 4.612 3.469 -0.867 1.00 1.24 H new ATOM 0 HG22 ILE A 31 3.444 4.377 0.122 1.00 1.24 H new ATOM 0 HG23 ILE A 31 5.156 4.313 0.602 1.00 1.24 H new ATOM 0 HD11 ILE A 31 6.449 0.393 -0.358 1.00 1.25 H new ATOM 0 HD12 ILE A 31 4.692 0.386 -0.641 1.00 1.25 H new ATOM 0 HD13 ILE A 31 5.666 1.797 -1.121 1.00 1.25 H new ATOM 451 N LEU A 32 1.349 3.457 1.939 1.00 1.18 N ATOM 452 CA LEU A 32 0.152 4.358 1.945 1.00 1.23 C ATOM 453 C LEU A 32 -0.105 4.872 3.372 1.00 1.31 C ATOM 454 O LEU A 32 -0.302 6.057 3.591 1.00 1.36 O ATOM 455 CB LEU A 32 -1.009 3.474 1.465 1.00 1.29 C ATOM 456 CG LEU A 32 -2.021 4.322 0.693 1.00 1.77 C ATOM 457 CD1 LEU A 32 -2.399 3.612 -0.607 1.00 1.92 C ATOM 458 CD2 LEU A 32 -3.275 4.512 1.547 1.00 2.22 C ATOM 0 H LEU A 32 1.191 2.533 1.538 1.00 1.18 H new ATOM 0 HA LEU A 32 0.281 5.234 1.310 1.00 1.23 H new ATOM 0 HB2 LEU A 32 -0.630 2.674 0.829 1.00 1.29 H new ATOM 0 HB3 LEU A 32 -1.494 3.000 2.318 1.00 1.29 H new ATOM 0 HG LEU A 32 -1.581 5.292 0.462 1.00 1.77 H new ATOM 0 HD11 LEU A 32 -3.120 4.218 -1.156 1.00 1.92 H new ATOM 0 HD12 LEU A 32 -1.507 3.469 -1.216 1.00 1.92 H new ATOM 0 HD13 LEU A 32 -2.840 2.642 -0.377 1.00 1.92 H new ATOM 0 HD21 LEU A 32 -3.999 5.116 1.001 1.00 2.22 H new ATOM 0 HD22 LEU A 32 -3.711 3.539 1.774 1.00 2.22 H new ATOM 0 HD23 LEU A 32 -3.009 5.016 2.476 1.00 2.22 H new ATOM 470 N GLY A 33 -0.080 3.986 4.343 1.00 1.38 N ATOM 471 CA GLY A 33 -0.297 4.404 5.764 1.00 1.50 C ATOM 472 C GLY A 33 0.807 5.382 6.176 1.00 1.47 C ATOM 473 O GLY A 33 0.534 6.430 6.731 1.00 1.54 O ATOM 0 H GLY A 33 0.082 2.988 4.209 1.00 1.38 H new ATOM 0 HA2 GLY A 33 -1.274 4.874 5.872 1.00 1.50 H new ATOM 0 HA3 GLY A 33 -0.289 3.532 6.417 1.00 1.50 H new ATOM 477 N CYS A 34 2.050 5.057 5.891 1.00 1.41 N ATOM 478 CA CYS A 34 3.170 5.986 6.247 1.00 1.43 C ATOM 479 C CYS A 34 2.942 7.348 5.578 1.00 1.34 C ATOM 480 O CYS A 34 3.134 8.385 6.182 1.00 1.43 O ATOM 481 CB CYS A 34 4.444 5.324 5.706 1.00 1.40 C ATOM 482 SG CYS A 34 5.629 5.110 7.057 1.00 2.00 S ATOM 0 H CYS A 34 2.334 4.193 5.430 1.00 1.41 H new ATOM 0 HA CYS A 34 3.239 6.158 7.321 1.00 1.43 H new ATOM 0 HB2 CYS A 34 4.205 4.358 5.261 1.00 1.40 H new ATOM 0 HB3 CYS A 34 4.880 5.938 4.919 1.00 1.40 H new ATOM 0 HG CYS A 34 6.709 4.547 6.602 1.00 2.00 H new ATOM 488 N TRP A 35 2.512 7.351 4.338 1.00 1.22 N ATOM 489 CA TRP A 35 2.247 8.648 3.641 1.00 1.16 C ATOM 490 C TRP A 35 1.034 9.341 4.279 1.00 1.29 C ATOM 491 O TRP A 35 1.047 10.537 4.503 1.00 1.34 O ATOM 492 CB TRP A 35 1.968 8.277 2.182 1.00 1.04 C ATOM 493 CG TRP A 35 3.196 8.537 1.374 1.00 0.96 C ATOM 494 CD1 TRP A 35 3.289 9.433 0.365 1.00 0.94 C ATOM 495 CD2 TRP A 35 4.511 7.918 1.491 1.00 1.03 C ATOM 496 NE1 TRP A 35 4.576 9.402 -0.141 1.00 0.96 N ATOM 497 CE2 TRP A 35 5.364 8.485 0.519 1.00 1.00 C ATOM 498 CE3 TRP A 35 5.039 6.930 2.340 1.00 1.24 C ATOM 499 CZ2 TRP A 35 6.694 8.089 0.392 1.00 1.12 C ATOM 500 CZ3 TRP A 35 6.379 6.528 2.216 1.00 1.38 C ATOM 501 CH2 TRP A 35 7.204 7.106 1.243 1.00 1.31 C ATOM 0 H TRP A 35 2.334 6.515 3.782 1.00 1.22 H new ATOM 0 HA TRP A 35 3.085 9.341 3.716 1.00 1.16 H new ATOM 0 HB2 TRP A 35 1.683 7.228 2.108 1.00 1.04 H new ATOM 0 HB3 TRP A 35 1.133 8.862 1.797 1.00 1.04 H new ATOM 0 HD1 TRP A 35 2.490 10.068 0.012 1.00 0.94 H new ATOM 0 HE1 TRP A 35 4.902 9.987 -0.910 1.00 0.96 H new ATOM 0 HE3 TRP A 35 4.410 6.477 3.092 1.00 1.24 H new ATOM 0 HZ2 TRP A 35 7.326 8.539 -0.359 1.00 1.12 H new ATOM 0 HZ3 TRP A 35 6.775 5.769 2.874 1.00 1.38 H new ATOM 0 HH2 TRP A 35 8.233 6.792 1.151 1.00 1.31 H new ATOM 512 N CYS A 36 -0.001 8.587 4.585 1.00 1.39 N ATOM 513 CA CYS A 36 -1.233 9.158 5.232 1.00 1.56 C ATOM 514 C CYS A 36 -1.825 10.318 4.408 1.00 1.49 C ATOM 515 O CYS A 36 -2.828 10.151 3.736 1.00 1.54 O ATOM 516 CB CYS A 36 -0.779 9.622 6.621 1.00 1.73 C ATOM 517 SG CYS A 36 -2.200 9.641 7.743 1.00 1.99 S ATOM 0 H CYS A 36 -0.044 7.583 4.411 1.00 1.39 H new ATOM 0 HA CYS A 36 -2.032 8.419 5.296 1.00 1.56 H new ATOM 0 HB2 CYS A 36 -0.007 8.955 7.005 1.00 1.73 H new ATOM 0 HB3 CYS A 36 -0.338 10.617 6.558 1.00 1.73 H new ATOM 0 HG CYS A 36 -1.817 10.032 8.922 1.00 1.99 H new ATOM 523 N TYR A 37 -1.224 11.484 4.444 1.00 1.47 N ATOM 524 CA TYR A 37 -1.766 12.634 3.657 1.00 1.49 C ATOM 525 C TYR A 37 -0.646 13.561 3.146 1.00 1.44 C ATOM 526 O TYR A 37 -0.914 14.661 2.703 1.00 1.55 O ATOM 527 CB TYR A 37 -2.673 13.383 4.636 1.00 1.75 C ATOM 528 CG TYR A 37 -4.091 13.352 4.122 1.00 1.96 C ATOM 529 CD1 TYR A 37 -4.485 14.234 3.111 1.00 2.10 C ATOM 530 CD2 TYR A 37 -5.010 12.442 4.654 1.00 2.32 C ATOM 531 CE1 TYR A 37 -5.800 14.207 2.634 1.00 2.47 C ATOM 532 CE2 TYR A 37 -6.324 12.416 4.175 1.00 2.68 C ATOM 533 CZ TYR A 37 -6.717 13.297 3.166 1.00 2.71 C ATOM 534 OH TYR A 37 -8.010 13.269 2.695 1.00 3.18 O ATOM 0 H TYR A 37 -0.383 11.687 4.984 1.00 1.47 H new ATOM 0 HA TYR A 37 -2.295 12.291 2.768 1.00 1.49 H new ATOM 0 HB2 TYR A 37 -2.621 12.923 5.623 1.00 1.75 H new ATOM 0 HB3 TYR A 37 -2.336 14.414 4.747 1.00 1.75 H new ATOM 0 HD1 TYR A 37 -3.775 14.935 2.699 1.00 2.10 H new ATOM 0 HD2 TYR A 37 -4.705 11.760 5.434 1.00 2.32 H new ATOM 0 HE1 TYR A 37 -6.106 14.889 1.855 1.00 2.47 H new ATOM 0 HE2 TYR A 37 -7.035 11.714 4.586 1.00 2.68 H new ATOM 0 HH TYR A 37 -8.517 12.578 3.171 1.00 3.18 H new ATOM 544 N LEU A 38 0.597 13.134 3.183 1.00 1.36 N ATOM 545 CA LEU A 38 1.699 14.019 2.678 1.00 1.42 C ATOM 546 C LEU A 38 1.979 13.751 1.186 1.00 1.28 C ATOM 547 O LEU A 38 3.047 14.045 0.686 1.00 1.38 O ATOM 548 CB LEU A 38 2.925 13.698 3.554 1.00 1.58 C ATOM 549 CG LEU A 38 3.456 12.286 3.268 1.00 1.50 C ATOM 550 CD1 LEU A 38 4.655 12.370 2.321 1.00 1.60 C ATOM 551 CD2 LEU A 38 3.909 11.641 4.580 1.00 1.69 C ATOM 0 H LEU A 38 0.893 12.224 3.536 1.00 1.36 H new ATOM 0 HA LEU A 38 1.435 15.074 2.746 1.00 1.42 H new ATOM 0 HB2 LEU A 38 3.711 14.430 3.367 1.00 1.58 H new ATOM 0 HB3 LEU A 38 2.655 13.782 4.607 1.00 1.58 H new ATOM 0 HG LEU A 38 2.666 11.690 2.811 1.00 1.50 H new ATOM 0 HD11 LEU A 38 5.030 11.367 2.119 1.00 1.60 H new ATOM 0 HD12 LEU A 38 4.348 12.837 1.385 1.00 1.60 H new ATOM 0 HD13 LEU A 38 5.442 12.966 2.783 1.00 1.60 H new ATOM 0 HD21 LEU A 38 4.287 10.638 4.381 1.00 1.69 H new ATOM 0 HD22 LEU A 38 4.699 12.244 5.028 1.00 1.69 H new ATOM 0 HD23 LEU A 38 3.065 11.581 5.267 1.00 1.69 H new ATOM 563 N ARG A 39 1.018 13.205 0.473 1.00 1.15 N ATOM 564 CA ARG A 39 1.209 12.918 -0.992 1.00 1.12 C ATOM 565 C ARG A 39 1.742 14.152 -1.735 1.00 1.30 C ATOM 566 O ARG A 39 2.694 14.070 -2.486 1.00 1.41 O ATOM 567 CB ARG A 39 -0.189 12.563 -1.507 1.00 1.14 C ATOM 568 CG ARG A 39 -0.572 11.162 -1.036 1.00 1.06 C ATOM 569 CD ARG A 39 -2.078 10.962 -1.205 1.00 1.22 C ATOM 570 NE ARG A 39 -2.355 9.644 -0.560 1.00 1.26 N ATOM 571 CZ ARG A 39 -2.469 9.553 0.730 1.00 1.29 C ATOM 572 NH1 ARG A 39 -3.322 10.293 1.367 1.00 1.44 N ATOM 573 NH2 ARG A 39 -1.733 8.711 1.381 1.00 1.29 N ATOM 0 H ARG A 39 0.104 12.944 0.844 1.00 1.15 H new ATOM 0 HA ARG A 39 1.934 12.120 -1.153 1.00 1.12 H new ATOM 0 HB2 ARG A 39 -0.916 13.290 -1.145 1.00 1.14 H new ATOM 0 HB3 ARG A 39 -0.208 12.609 -2.596 1.00 1.14 H new ATOM 0 HG2 ARG A 39 -0.028 10.412 -1.610 1.00 1.06 H new ATOM 0 HG3 ARG A 39 -0.292 11.029 0.009 1.00 1.06 H new ATOM 0 HD2 ARG A 39 -2.641 11.764 -0.727 1.00 1.22 H new ATOM 0 HD3 ARG A 39 -2.362 10.956 -2.257 1.00 1.22 H new ATOM 0 HE ARG A 39 -2.455 8.809 -1.137 1.00 1.26 H new ATOM 0 HH11 ARG A 39 -3.909 10.952 0.855 1.00 1.44 H new ATOM 0 HH12 ARG A 39 -3.407 10.217 2.381 1.00 1.44 H new ATOM 0 HH21 ARG A 39 -1.067 8.123 0.881 1.00 1.29 H new ATOM 0 HH22 ARG A 39 -1.819 8.636 2.395 1.00 1.29 H new ATOM 587 N LEU A 40 1.133 15.294 -1.529 1.00 1.42 N ATOM 588 CA LEU A 40 1.595 16.541 -2.224 1.00 1.65 C ATOM 589 C LEU A 40 2.923 17.041 -1.630 1.00 1.78 C ATOM 590 O LEU A 40 3.047 18.181 -1.223 1.00 2.10 O ATOM 591 CB LEU A 40 0.476 17.563 -1.987 1.00 1.90 C ATOM 592 CG LEU A 40 -0.192 17.914 -3.316 1.00 2.20 C ATOM 593 CD1 LEU A 40 -1.662 17.508 -3.264 1.00 2.52 C ATOM 594 CD2 LEU A 40 -0.092 19.423 -3.553 1.00 2.74 C ATOM 0 H LEU A 40 0.333 15.419 -0.908 1.00 1.42 H new ATOM 0 HA LEU A 40 1.779 16.372 -3.285 1.00 1.65 H new ATOM 0 HB2 LEU A 40 -0.261 17.156 -1.295 1.00 1.90 H new ATOM 0 HB3 LEU A 40 0.884 18.462 -1.525 1.00 1.90 H new ATOM 0 HG LEU A 40 0.307 17.383 -4.127 1.00 2.20 H new ATOM 0 HD11 LEU A 40 -2.142 17.757 -4.210 1.00 2.52 H new ATOM 0 HD12 LEU A 40 -1.737 16.435 -3.090 1.00 2.52 H new ATOM 0 HD13 LEU A 40 -2.159 18.042 -2.454 1.00 2.52 H new ATOM 0 HD21 LEU A 40 -0.568 19.675 -4.501 1.00 2.74 H new ATOM 0 HD22 LEU A 40 -0.594 19.953 -2.743 1.00 2.74 H new ATOM 0 HD23 LEU A 40 0.957 19.718 -3.584 1.00 2.74 H new ATOM 606 N GLN A 41 3.916 16.195 -1.583 1.00 1.64 N ATOM 607 CA GLN A 41 5.239 16.610 -1.020 1.00 1.87 C ATOM 608 C GLN A 41 6.156 17.170 -2.124 1.00 1.98 C ATOM 609 O GLN A 41 7.141 17.829 -1.844 1.00 2.21 O ATOM 610 CB GLN A 41 5.826 15.334 -0.400 1.00 1.84 C ATOM 611 CG GLN A 41 5.985 14.241 -1.469 1.00 1.72 C ATOM 612 CD GLN A 41 7.442 13.783 -1.529 1.00 2.10 C ATOM 613 OE1 GLN A 41 8.347 14.593 -1.567 1.00 2.22 O ATOM 614 NE2 GLN A 41 7.711 12.515 -1.547 1.00 2.44 N ATOM 0 H GLN A 41 3.871 15.230 -1.911 1.00 1.64 H new ATOM 0 HA GLN A 41 5.139 17.407 -0.283 1.00 1.87 H new ATOM 0 HB2 GLN A 41 6.794 15.554 0.051 1.00 1.84 H new ATOM 0 HB3 GLN A 41 5.175 14.978 0.399 1.00 1.84 H new ATOM 0 HG2 GLN A 41 5.338 13.395 -1.237 1.00 1.72 H new ATOM 0 HG3 GLN A 41 5.674 14.623 -2.441 1.00 1.72 H new ATOM 0 HE21 GLN A 41 6.954 11.832 -1.515 1.00 2.44 H new ATOM 0 HE22 GLN A 41 8.680 12.200 -1.593 1.00 2.44 H new ATOM 623 N ARG A 42 5.845 16.910 -3.373 1.00 1.87 N ATOM 624 CA ARG A 42 6.694 17.417 -4.493 1.00 2.01 C ATOM 625 C ARG A 42 5.875 17.443 -5.803 1.00 1.95 C ATOM 626 O ARG A 42 4.742 17.880 -5.818 1.00 1.95 O ATOM 627 CB ARG A 42 7.836 16.402 -4.560 1.00 2.03 C ATOM 628 CG ARG A 42 9.105 17.081 -5.086 1.00 2.34 C ATOM 629 CD ARG A 42 9.925 17.618 -3.909 1.00 2.55 C ATOM 630 NE ARG A 42 10.579 16.417 -3.310 1.00 2.43 N ATOM 631 CZ ARG A 42 11.003 16.450 -2.087 1.00 2.54 C ATOM 632 NH1 ARG A 42 12.099 17.076 -1.803 1.00 2.85 N ATOM 633 NH2 ARG A 42 10.333 15.851 -1.154 1.00 2.44 N ATOM 0 H ARG A 42 5.034 16.364 -3.663 1.00 1.87 H new ATOM 0 HA ARG A 42 7.057 18.434 -4.347 1.00 2.01 H new ATOM 0 HB2 ARG A 42 8.020 15.983 -3.571 1.00 2.03 H new ATOM 0 HB3 ARG A 42 7.560 15.573 -5.211 1.00 2.03 H new ATOM 0 HG2 ARG A 42 9.698 16.370 -5.662 1.00 2.34 H new ATOM 0 HG3 ARG A 42 8.841 17.896 -5.760 1.00 2.34 H new ATOM 0 HD2 ARG A 42 10.666 18.344 -4.243 1.00 2.55 H new ATOM 0 HD3 ARG A 42 9.288 18.123 -3.183 1.00 2.55 H new ATOM 0 HE ARG A 42 10.692 15.569 -3.865 1.00 2.43 H new ATOM 0 HH11 ARG A 42 12.626 17.542 -2.542 1.00 2.85 H new ATOM 0 HH12 ARG A 42 12.436 17.104 -0.841 1.00 2.85 H new ATOM 0 HH21 ARG A 42 9.472 15.354 -1.383 1.00 2.44 H new ATOM 0 HH22 ARG A 42 10.666 15.876 -0.190 1.00 2.44 H new ATOM 647 N ILE A 43 6.436 16.971 -6.896 1.00 1.98 N ATOM 648 CA ILE A 43 5.691 16.950 -8.201 1.00 1.99 C ATOM 649 C ILE A 43 4.339 16.245 -8.045 1.00 1.79 C ATOM 650 O ILE A 43 3.364 16.583 -8.692 1.00 1.86 O ATOM 651 CB ILE A 43 6.588 16.154 -9.155 1.00 2.08 C ATOM 652 CG1 ILE A 43 7.063 14.844 -8.506 1.00 1.95 C ATOM 653 CG2 ILE A 43 7.806 16.993 -9.520 1.00 2.33 C ATOM 654 CD1 ILE A 43 7.359 13.814 -9.598 1.00 2.12 C ATOM 0 H ILE A 43 7.384 16.597 -6.940 1.00 1.98 H new ATOM 0 HA ILE A 43 5.483 17.957 -8.563 1.00 1.99 H new ATOM 0 HB ILE A 43 6.009 15.913 -10.046 1.00 2.08 H new ATOM 0 HG12 ILE A 43 7.957 15.024 -7.909 1.00 1.95 H new ATOM 0 HG13 ILE A 43 6.299 14.463 -7.829 1.00 1.95 H new ATOM 0 HG21 ILE A 43 8.446 16.429 -10.199 1.00 2.33 H new ATOM 0 HG22 ILE A 43 7.482 17.913 -10.007 1.00 2.33 H new ATOM 0 HG23 ILE A 43 8.363 17.238 -8.616 1.00 2.33 H new ATOM 0 HD11 ILE A 43 7.696 12.884 -9.140 1.00 2.12 H new ATOM 0 HD12 ILE A 43 6.454 13.626 -10.176 1.00 2.12 H new ATOM 0 HD13 ILE A 43 8.138 14.197 -10.257 1.00 2.12 H new ATOM 666 N SER A 44 4.299 15.265 -7.190 1.00 1.59 N ATOM 667 CA SER A 44 3.047 14.481 -6.931 1.00 1.42 C ATOM 668 C SER A 44 1.874 15.411 -6.580 1.00 1.50 C ATOM 669 O SER A 44 1.765 15.899 -5.470 1.00 1.57 O ATOM 670 CB SER A 44 3.385 13.574 -5.735 1.00 1.24 C ATOM 671 OG SER A 44 4.725 13.819 -5.297 1.00 1.29 O ATOM 0 H SER A 44 5.103 14.961 -6.640 1.00 1.59 H new ATOM 0 HA SER A 44 2.740 13.914 -7.809 1.00 1.42 H new ATOM 0 HB2 SER A 44 2.687 13.760 -4.919 1.00 1.24 H new ATOM 0 HB3 SER A 44 3.272 12.528 -6.019 1.00 1.24 H new ATOM 0 HG SER A 44 4.845 13.458 -4.394 1.00 1.29 H new ATOM 677 N GLN A 45 0.996 15.652 -7.523 1.00 1.61 N ATOM 678 CA GLN A 45 -0.177 16.549 -7.258 1.00 1.77 C ATOM 679 C GLN A 45 -1.335 15.771 -6.605 1.00 1.65 C ATOM 680 O GLN A 45 -2.157 16.343 -5.917 1.00 1.84 O ATOM 681 CB GLN A 45 -0.591 17.080 -8.635 1.00 2.04 C ATOM 682 CG GLN A 45 0.481 18.041 -9.164 1.00 2.27 C ATOM 683 CD GLN A 45 0.857 17.657 -10.596 1.00 2.52 C ATOM 684 OE1 GLN A 45 0.114 17.905 -11.520 1.00 2.91 O ATOM 685 NE2 GLN A 45 1.986 17.056 -10.821 1.00 2.55 N ATOM 0 H GLN A 45 1.039 15.267 -8.466 1.00 1.61 H new ATOM 0 HA GLN A 45 0.078 17.352 -6.567 1.00 1.77 H new ATOM 0 HB2 GLN A 45 -0.724 16.251 -9.330 1.00 2.04 H new ATOM 0 HB3 GLN A 45 -1.550 17.593 -8.564 1.00 2.04 H new ATOM 0 HG2 GLN A 45 0.110 19.065 -9.138 1.00 2.27 H new ATOM 0 HG3 GLN A 45 1.363 18.005 -8.524 1.00 2.27 H new ATOM 0 HE21 GLN A 45 2.615 16.845 -10.046 1.00 2.55 H new ATOM 0 HE22 GLN A 45 2.244 16.795 -11.773 1.00 2.55 H new ATOM 694 N SER A 46 -1.409 14.477 -6.810 1.00 1.59 N ATOM 695 CA SER A 46 -2.508 13.675 -6.194 1.00 1.51 C ATOM 696 C SER A 46 -1.930 12.659 -5.200 1.00 1.25 C ATOM 697 O SER A 46 -2.107 12.784 -4.002 1.00 1.26 O ATOM 698 CB SER A 46 -3.207 12.964 -7.355 1.00 1.66 C ATOM 699 OG SER A 46 -4.371 12.309 -6.863 1.00 1.70 O ATOM 0 H SER A 46 -0.753 13.943 -7.379 1.00 1.59 H new ATOM 0 HA SER A 46 -3.205 14.302 -5.638 1.00 1.51 H new ATOM 0 HB2 SER A 46 -3.478 13.683 -8.128 1.00 1.66 H new ATOM 0 HB3 SER A 46 -2.533 12.240 -7.814 1.00 1.66 H new ATOM 0 HG SER A 46 -4.111 11.491 -6.390 1.00 1.70 H new ATOM 705 N GLU A 47 -1.229 11.661 -5.684 1.00 1.14 N ATOM 706 CA GLU A 47 -0.634 10.649 -4.771 1.00 0.96 C ATOM 707 C GLU A 47 0.893 10.690 -4.836 1.00 0.90 C ATOM 708 O GLU A 47 1.479 11.331 -5.690 1.00 1.08 O ATOM 709 CB GLU A 47 -1.145 9.297 -5.266 1.00 1.07 C ATOM 710 CG GLU A 47 -2.587 9.094 -4.799 1.00 1.30 C ATOM 711 CD GLU A 47 -3.480 8.866 -6.012 1.00 1.62 C ATOM 712 OE1 GLU A 47 -3.570 7.728 -6.443 1.00 1.69 O ATOM 713 OE2 GLU A 47 -4.051 9.831 -6.493 1.00 1.95 O ATOM 0 H GLU A 47 -1.046 11.508 -6.676 1.00 1.14 H new ATOM 0 HA GLU A 47 -0.913 10.837 -3.734 1.00 0.96 H new ATOM 0 HB2 GLU A 47 -1.094 9.253 -6.354 1.00 1.07 H new ATOM 0 HB3 GLU A 47 -0.512 8.496 -4.885 1.00 1.07 H new ATOM 0 HG2 GLU A 47 -2.646 8.241 -4.124 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -2.927 9.966 -4.241 1.00 1.30 H new ATOM 720 N ASP A 48 1.534 10.007 -3.930 1.00 0.79 N ATOM 721 CA ASP A 48 3.027 9.986 -3.909 1.00 0.80 C ATOM 722 C ASP A 48 3.549 8.568 -3.599 1.00 0.79 C ATOM 723 O ASP A 48 4.585 8.164 -4.092 1.00 0.88 O ATOM 724 CB ASP A 48 3.391 10.973 -2.799 1.00 0.86 C ATOM 725 CG ASP A 48 4.881 11.297 -2.851 1.00 0.95 C ATOM 726 OD1 ASP A 48 5.300 11.944 -3.798 1.00 1.07 O ATOM 727 OD2 ASP A 48 5.577 10.904 -1.929 1.00 1.03 O ATOM 0 H ASP A 48 1.086 9.457 -3.197 1.00 0.79 H new ATOM 0 HA ASP A 48 3.471 10.259 -4.866 1.00 0.80 H new ATOM 0 HB2 ASP A 48 2.808 11.887 -2.910 1.00 0.86 H new ATOM 0 HB3 ASP A 48 3.137 10.549 -1.827 1.00 0.86 H new ATOM 732 N GLU A 49 2.842 7.815 -2.788 1.00 0.90 N ATOM 733 CA GLU A 49 3.291 6.430 -2.441 1.00 0.98 C ATOM 734 C GLU A 49 3.079 5.448 -3.622 1.00 1.11 C ATOM 735 O GLU A 49 3.398 5.756 -4.756 1.00 1.16 O ATOM 736 CB GLU A 49 2.453 6.044 -1.207 1.00 0.98 C ATOM 737 CG GLU A 49 0.957 6.019 -1.556 1.00 1.01 C ATOM 738 CD GLU A 49 0.274 7.263 -0.988 1.00 0.99 C ATOM 739 OE1 GLU A 49 0.254 8.268 -1.678 1.00 1.05 O ATOM 740 OE2 GLU A 49 -0.216 7.191 0.129 1.00 1.05 O ATOM 0 H GLU A 49 1.968 8.104 -2.349 1.00 0.90 H new ATOM 0 HA GLU A 49 4.360 6.385 -2.231 1.00 0.98 H new ATOM 0 HB2 GLU A 49 2.763 5.065 -0.842 1.00 0.98 H new ATOM 0 HB3 GLU A 49 2.632 6.756 -0.402 1.00 0.98 H new ATOM 0 HG2 GLU A 49 0.827 5.983 -2.638 1.00 1.01 H new ATOM 0 HG3 GLU A 49 0.494 5.120 -1.149 1.00 1.01 H new ATOM 747 N GLU A 50 2.569 4.262 -3.371 1.00 1.27 N ATOM 748 CA GLU A 50 2.380 3.275 -4.484 1.00 1.46 C ATOM 749 C GLU A 50 1.188 3.636 -5.388 1.00 1.49 C ATOM 750 O GLU A 50 0.116 3.068 -5.292 1.00 1.67 O ATOM 751 CB GLU A 50 2.152 1.929 -3.799 1.00 1.70 C ATOM 752 CG GLU A 50 2.617 0.808 -4.737 1.00 1.86 C ATOM 753 CD GLU A 50 3.523 -0.163 -3.977 1.00 1.94 C ATOM 754 OE1 GLU A 50 4.566 0.269 -3.513 1.00 1.97 O ATOM 755 OE2 GLU A 50 3.160 -1.323 -3.877 1.00 2.65 O ATOM 0 H GLU A 50 2.277 3.937 -2.449 1.00 1.27 H new ATOM 0 HA GLU A 50 3.249 3.262 -5.141 1.00 1.46 H new ATOM 0 HB2 GLU A 50 2.703 1.886 -2.859 1.00 1.70 H new ATOM 0 HB3 GLU A 50 1.097 1.804 -3.556 1.00 1.70 H new ATOM 0 HG2 GLU A 50 1.754 0.276 -5.138 1.00 1.86 H new ATOM 0 HG3 GLU A 50 3.154 1.231 -5.586 1.00 1.86 H new ATOM 762 N SER A 51 1.391 4.559 -6.291 1.00 1.42 N ATOM 763 CA SER A 51 0.304 4.955 -7.244 1.00 1.53 C ATOM 764 C SER A 51 0.914 5.672 -8.452 1.00 1.50 C ATOM 765 O SER A 51 0.958 5.140 -9.543 1.00 1.69 O ATOM 766 CB SER A 51 -0.634 5.882 -6.468 1.00 1.47 C ATOM 767 OG SER A 51 -1.662 6.330 -7.347 1.00 1.85 O ATOM 0 H SER A 51 2.270 5.062 -6.413 1.00 1.42 H new ATOM 0 HA SER A 51 -0.241 4.090 -7.622 1.00 1.53 H new ATOM 0 HB2 SER A 51 -1.067 5.356 -5.617 1.00 1.47 H new ATOM 0 HB3 SER A 51 -0.081 6.732 -6.069 1.00 1.47 H new ATOM 0 HG SER A 51 -2.410 6.684 -6.822 1.00 1.85 H new ATOM 773 N ILE A 52 1.414 6.862 -8.255 1.00 1.40 N ATOM 774 CA ILE A 52 2.050 7.614 -9.379 1.00 1.50 C ATOM 775 C ILE A 52 3.348 6.920 -9.797 1.00 1.67 C ATOM 776 O ILE A 52 3.765 6.981 -10.937 1.00 1.84 O ATOM 777 CB ILE A 52 2.308 9.010 -8.816 1.00 1.59 C ATOM 778 CG1 ILE A 52 3.289 8.949 -7.641 1.00 1.70 C ATOM 779 CG2 ILE A 52 0.989 9.586 -8.325 1.00 1.59 C ATOM 780 CD1 ILE A 52 4.554 9.723 -7.999 1.00 2.13 C ATOM 0 H ILE A 52 1.410 7.350 -7.359 1.00 1.40 H new ATOM 0 HA ILE A 52 1.427 7.659 -10.272 1.00 1.50 H new ATOM 0 HB ILE A 52 2.738 9.634 -9.599 1.00 1.59 H new ATOM 0 HG12 ILE A 52 2.831 9.372 -6.747 1.00 1.70 H new ATOM 0 HG13 ILE A 52 3.536 7.912 -7.412 1.00 1.70 H new ATOM 0 HG21 ILE A 52 1.156 10.584 -7.919 1.00 1.59 H new ATOM 0 HG22 ILE A 52 0.286 9.645 -9.156 1.00 1.59 H new ATOM 0 HG23 ILE A 52 0.578 8.942 -7.547 1.00 1.59 H new ATOM 0 HD11 ILE A 52 5.254 9.682 -7.165 1.00 2.13 H new ATOM 0 HD12 ILE A 52 5.014 9.279 -8.882 1.00 2.13 H new ATOM 0 HD13 ILE A 52 4.298 10.762 -8.207 1.00 2.13 H new ATOM 792 N VAL A 53 3.975 6.233 -8.879 1.00 1.73 N ATOM 793 CA VAL A 53 5.233 5.491 -9.226 1.00 2.03 C ATOM 794 C VAL A 53 4.933 4.499 -10.366 1.00 2.10 C ATOM 795 O VAL A 53 5.757 4.256 -11.226 1.00 2.35 O ATOM 796 CB VAL A 53 5.671 4.750 -7.948 1.00 2.15 C ATOM 797 CG1 VAL A 53 5.926 5.758 -6.827 1.00 2.19 C ATOM 798 CG2 VAL A 53 4.585 3.765 -7.497 1.00 1.99 C ATOM 0 H VAL A 53 3.676 6.151 -7.907 1.00 1.73 H new ATOM 0 HA VAL A 53 6.025 6.158 -9.565 1.00 2.03 H new ATOM 0 HB VAL A 53 6.585 4.198 -8.167 1.00 2.15 H new ATOM 0 HG11 VAL A 53 6.235 5.229 -5.926 1.00 2.19 H new ATOM 0 HG12 VAL A 53 6.713 6.449 -7.131 1.00 2.19 H new ATOM 0 HG13 VAL A 53 5.012 6.316 -6.625 1.00 2.19 H new ATOM 0 HG21 VAL A 53 4.912 3.251 -6.593 1.00 1.99 H new ATOM 0 HG22 VAL A 53 3.663 4.309 -7.291 1.00 1.99 H new ATOM 0 HG23 VAL A 53 4.407 3.034 -8.286 1.00 1.99 H new ATOM 808 N GLY A 54 3.736 3.952 -10.388 1.00 1.95 N ATOM 809 CA GLY A 54 3.342 3.004 -11.479 1.00 2.14 C ATOM 810 C GLY A 54 2.421 3.740 -12.460 1.00 2.02 C ATOM 811 O GLY A 54 1.418 3.213 -12.907 1.00 2.03 O ATOM 0 H GLY A 54 3.012 4.125 -9.691 1.00 1.95 H new ATOM 0 HA2 GLY A 54 4.227 2.634 -11.996 1.00 2.14 H new ATOM 0 HA3 GLY A 54 2.832 2.136 -11.060 1.00 2.14 H new ATOM 815 N ASP A 55 2.752 4.964 -12.779 1.00 2.05 N ATOM 816 CA ASP A 55 1.911 5.767 -13.713 1.00 2.07 C ATOM 817 C ASP A 55 2.541 5.791 -15.114 1.00 2.19 C ATOM 818 O ASP A 55 3.405 6.596 -15.406 1.00 2.53 O ATOM 819 CB ASP A 55 1.908 7.168 -13.081 1.00 2.42 C ATOM 820 CG ASP A 55 0.582 7.879 -13.321 1.00 2.46 C ATOM 821 OD1 ASP A 55 0.130 7.890 -14.452 1.00 2.75 O ATOM 822 OD2 ASP A 55 0.041 8.408 -12.368 1.00 2.64 O ATOM 0 H ASP A 55 3.579 5.446 -12.427 1.00 2.05 H new ATOM 0 HA ASP A 55 0.906 5.365 -13.843 1.00 2.07 H new ATOM 0 HB2 ASP A 55 2.091 7.087 -12.010 1.00 2.42 H new ATOM 0 HB3 ASP A 55 2.722 7.760 -13.499 1.00 2.42 H new ATOM 827 N GLY A 56 2.117 4.913 -15.985 1.00 2.10 N ATOM 828 CA GLY A 56 2.691 4.888 -17.361 1.00 2.40 C ATOM 829 C GLY A 56 1.692 4.224 -18.298 1.00 2.42 C ATOM 830 O GLY A 56 1.292 4.787 -19.298 1.00 2.65 O ATOM 0 H GLY A 56 1.398 4.213 -15.802 1.00 2.10 H new ATOM 0 HA2 GLY A 56 2.908 5.902 -17.698 1.00 2.40 H new ATOM 0 HA3 GLY A 56 3.634 4.342 -17.366 1.00 2.40 H new ATOM 834 N GLU A 57 1.265 3.041 -17.959 1.00 2.28 N ATOM 835 CA GLU A 57 0.265 2.328 -18.805 1.00 2.41 C ATOM 836 C GLU A 57 -1.153 2.556 -18.262 1.00 2.24 C ATOM 837 O GLU A 57 -2.128 2.446 -18.980 1.00 2.30 O ATOM 838 CB GLU A 57 0.665 0.840 -18.752 1.00 2.69 C ATOM 839 CG GLU A 57 0.139 0.172 -17.466 1.00 2.65 C ATOM 840 CD GLU A 57 1.054 0.509 -16.286 1.00 2.59 C ATOM 841 OE1 GLU A 57 0.910 1.594 -15.741 1.00 2.40 O ATOM 842 OE2 GLU A 57 1.886 -0.315 -15.955 1.00 2.84 O ATOM 0 H GLU A 57 1.567 2.533 -17.128 1.00 2.28 H new ATOM 0 HA GLU A 57 0.258 2.692 -19.832 1.00 2.41 H new ATOM 0 HB2 GLU A 57 0.267 0.321 -19.624 1.00 2.69 H new ATOM 0 HB3 GLU A 57 1.750 0.750 -18.795 1.00 2.69 H new ATOM 0 HG2 GLU A 57 -0.875 0.513 -17.259 1.00 2.65 H new ATOM 0 HG3 GLU A 57 0.091 -0.908 -17.602 1.00 2.65 H new ATOM 849 N THR A 58 -1.267 2.872 -16.997 1.00 2.15 N ATOM 850 CA THR A 58 -2.605 3.115 -16.379 1.00 2.17 C ATOM 851 C THR A 58 -3.228 4.415 -16.913 1.00 2.19 C ATOM 852 O THR A 58 -3.492 5.345 -16.168 1.00 2.32 O ATOM 853 CB THR A 58 -2.319 3.222 -14.873 1.00 2.20 C ATOM 854 OG1 THR A 58 -1.154 4.037 -14.659 1.00 2.11 O ATOM 855 CG2 THR A 58 -2.082 1.819 -14.308 1.00 2.83 C ATOM 0 H THR A 58 -0.479 2.973 -16.358 1.00 2.15 H new ATOM 0 HA THR A 58 -3.317 2.323 -16.610 1.00 2.17 H new ATOM 0 HB THR A 58 -3.170 3.680 -14.368 1.00 2.20 H new ATOM 0 HG1 THR A 58 -0.518 3.556 -14.089 1.00 2.11 H new ATOM 0 HG21 THR A 58 -1.878 1.887 -13.239 1.00 2.83 H new ATOM 0 HG22 THR A 58 -2.969 1.207 -14.470 1.00 2.83 H new ATOM 0 HG23 THR A 58 -1.230 1.363 -14.812 1.00 2.83 H new ATOM 863 N LYS A 59 -3.457 4.493 -18.199 1.00 2.19 N ATOM 864 CA LYS A 59 -4.054 5.736 -18.786 1.00 2.31 C ATOM 865 C LYS A 59 -5.330 5.405 -19.569 1.00 2.40 C ATOM 866 O LYS A 59 -5.976 4.398 -19.344 1.00 2.49 O ATOM 867 CB LYS A 59 -2.991 6.306 -19.744 1.00 2.36 C ATOM 868 CG LYS A 59 -1.594 6.206 -19.133 1.00 2.51 C ATOM 869 CD LYS A 59 -1.533 7.020 -17.840 1.00 2.77 C ATOM 870 CE LYS A 59 -0.522 6.373 -16.894 1.00 2.84 C ATOM 871 NZ LYS A 59 -1.234 6.218 -15.591 1.00 2.75 N ATOM 0 H LYS A 59 -3.257 3.751 -18.870 1.00 2.19 H new ATOM 0 HA LYS A 59 -4.324 6.447 -18.005 1.00 2.31 H new ATOM 0 HB2 LYS A 59 -3.019 5.763 -20.688 1.00 2.36 H new ATOM 0 HB3 LYS A 59 -3.220 7.348 -19.969 1.00 2.36 H new ATOM 0 HG2 LYS A 59 -1.351 5.163 -18.929 1.00 2.51 H new ATOM 0 HG3 LYS A 59 -0.851 6.574 -19.840 1.00 2.51 H new ATOM 0 HD2 LYS A 59 -1.243 8.048 -18.055 1.00 2.77 H new ATOM 0 HD3 LYS A 59 -2.517 7.058 -17.372 1.00 2.77 H new ATOM 0 HE2 LYS A 59 -0.189 5.408 -17.276 1.00 2.84 H new ATOM 0 HE3 LYS A 59 0.366 6.995 -16.784 1.00 2.84 H new ATOM 0 HZ1 LYS A 59 -1.150 5.234 -15.264 1.00 2.75 H new ATOM 0 HZ2 LYS A 59 -0.811 6.855 -14.886 1.00 2.75 H new ATOM 0 HZ3 LYS A 59 -2.239 6.457 -15.714 1.00 2.75 H new ATOM 885 N GLU A 60 -5.682 6.251 -20.499 1.00 2.49 N ATOM 886 CA GLU A 60 -6.901 6.006 -21.326 1.00 2.64 C ATOM 887 C GLU A 60 -6.574 4.993 -22.435 1.00 2.47 C ATOM 888 O GLU A 60 -5.768 5.269 -23.306 1.00 2.31 O ATOM 889 CB GLU A 60 -7.265 7.369 -21.918 1.00 2.75 C ATOM 890 CG GLU A 60 -8.788 7.492 -22.003 1.00 3.12 C ATOM 891 CD GLU A 60 -9.286 6.779 -23.253 1.00 3.08 C ATOM 892 OE1 GLU A 60 -9.259 7.392 -24.304 1.00 2.84 O ATOM 893 OE2 GLU A 60 -9.674 5.627 -23.140 1.00 3.42 O ATOM 0 H GLU A 60 -5.175 7.107 -20.724 1.00 2.49 H new ATOM 0 HA GLU A 60 -7.727 5.593 -20.747 1.00 2.64 H new ATOM 0 HB2 GLU A 60 -6.858 8.168 -21.298 1.00 2.75 H new ATOM 0 HB3 GLU A 60 -6.824 7.478 -22.909 1.00 2.75 H new ATOM 0 HG2 GLU A 60 -9.249 7.058 -21.116 1.00 3.12 H new ATOM 0 HG3 GLU A 60 -9.078 8.542 -22.031 1.00 3.12 H new ATOM 900 N PRO A 61 -7.201 3.843 -22.360 1.00 2.60 N ATOM 901 CA PRO A 61 -6.952 2.766 -23.359 1.00 2.57 C ATOM 902 C PRO A 61 -7.410 3.178 -24.767 1.00 2.59 C ATOM 903 O PRO A 61 -6.754 2.871 -25.745 1.00 2.51 O ATOM 904 CB PRO A 61 -7.762 1.586 -22.818 1.00 2.85 C ATOM 905 CG PRO A 61 -8.818 2.207 -21.963 1.00 3.03 C ATOM 906 CD PRO A 61 -8.199 3.438 -21.359 1.00 2.88 C ATOM 0 HA PRO A 61 -5.894 2.532 -23.474 1.00 2.57 H new ATOM 0 HB2 PRO A 61 -8.201 1.003 -23.628 1.00 2.85 H new ATOM 0 HB3 PRO A 61 -7.134 0.907 -22.241 1.00 2.85 H new ATOM 0 HG2 PRO A 61 -9.697 2.463 -22.555 1.00 3.03 H new ATOM 0 HG3 PRO A 61 -9.147 1.516 -21.187 1.00 3.03 H new ATOM 0 HD2 PRO A 61 -8.940 4.220 -21.191 1.00 2.88 H new ATOM 0 HD3 PRO A 61 -7.737 3.224 -20.395 1.00 2.88 H new ATOM 914 N PHE A 62 -8.511 3.877 -24.887 1.00 2.75 N ATOM 915 CA PHE A 62 -8.984 4.307 -26.240 1.00 2.80 C ATOM 916 C PHE A 62 -7.951 5.245 -26.877 1.00 2.56 C ATOM 917 O PHE A 62 -7.459 4.997 -27.963 1.00 2.43 O ATOM 918 CB PHE A 62 -10.321 5.014 -25.992 1.00 3.07 C ATOM 919 CG PHE A 62 -11.008 5.317 -27.302 1.00 3.23 C ATOM 920 CD1 PHE A 62 -11.548 4.281 -28.069 1.00 3.46 C ATOM 921 CD2 PHE A 62 -11.111 6.640 -27.741 1.00 3.37 C ATOM 922 CE1 PHE A 62 -12.192 4.568 -29.279 1.00 3.72 C ATOM 923 CE2 PHE A 62 -11.755 6.929 -28.949 1.00 3.63 C ATOM 924 CZ PHE A 62 -12.296 5.893 -29.719 1.00 3.76 C ATOM 0 H PHE A 62 -9.102 4.168 -24.109 1.00 2.75 H new ATOM 0 HA PHE A 62 -9.108 3.473 -26.931 1.00 2.80 H new ATOM 0 HB2 PHE A 62 -10.963 4.386 -25.375 1.00 3.07 H new ATOM 0 HB3 PHE A 62 -10.154 5.939 -25.440 1.00 3.07 H new ATOM 0 HD1 PHE A 62 -11.469 3.259 -27.729 1.00 3.46 H new ATOM 0 HD2 PHE A 62 -10.693 7.440 -27.147 1.00 3.37 H new ATOM 0 HE1 PHE A 62 -12.608 3.767 -29.873 1.00 3.72 H new ATOM 0 HE2 PHE A 62 -11.835 7.952 -29.287 1.00 3.63 H new ATOM 0 HZ PHE A 62 -12.793 6.115 -30.652 1.00 3.76 H new ATOM 934 N LEU A 63 -7.605 6.305 -26.198 1.00 2.56 N ATOM 935 CA LEU A 63 -6.583 7.255 -26.742 1.00 2.41 C ATOM 936 C LEU A 63 -5.255 6.523 -26.965 1.00 2.17 C ATOM 937 O LEU A 63 -4.556 6.763 -27.934 1.00 2.05 O ATOM 938 CB LEU A 63 -6.422 8.345 -25.676 1.00 2.59 C ATOM 939 CG LEU A 63 -7.339 9.529 -25.997 1.00 2.90 C ATOM 940 CD1 LEU A 63 -7.624 10.316 -24.716 1.00 3.17 C ATOM 941 CD2 LEU A 63 -6.652 10.447 -27.009 1.00 2.98 C ATOM 0 H LEU A 63 -7.986 6.558 -25.286 1.00 2.56 H new ATOM 0 HA LEU A 63 -6.886 7.676 -27.701 1.00 2.41 H new ATOM 0 HB2 LEU A 63 -6.665 7.942 -24.693 1.00 2.59 H new ATOM 0 HB3 LEU A 63 -5.385 8.677 -25.637 1.00 2.59 H new ATOM 0 HG LEU A 63 -8.275 9.158 -26.415 1.00 2.90 H new ATOM 0 HD11 LEU A 63 -8.277 11.159 -24.944 1.00 3.17 H new ATOM 0 HD12 LEU A 63 -8.112 9.665 -23.990 1.00 3.17 H new ATOM 0 HD13 LEU A 63 -6.687 10.685 -24.300 1.00 3.17 H new ATOM 0 HD21 LEU A 63 -7.305 11.290 -27.237 1.00 2.98 H new ATOM 0 HD22 LEU A 63 -5.716 10.816 -26.589 1.00 2.98 H new ATOM 0 HD23 LEU A 63 -6.445 9.890 -27.923 1.00 2.98 H new ATOM 953 N LEU A 64 -4.917 5.622 -26.080 1.00 2.14 N ATOM 954 CA LEU A 64 -3.644 4.849 -26.227 1.00 2.02 C ATOM 955 C LEU A 64 -3.646 4.088 -27.555 1.00 1.95 C ATOM 956 O LEU A 64 -2.703 4.164 -28.325 1.00 1.88 O ATOM 957 CB LEU A 64 -3.620 3.875 -25.047 1.00 2.11 C ATOM 958 CG LEU A 64 -2.177 3.662 -24.595 1.00 2.29 C ATOM 959 CD1 LEU A 64 -1.987 4.278 -23.209 1.00 2.36 C ATOM 960 CD2 LEU A 64 -1.882 2.164 -24.535 1.00 2.64 C ATOM 0 H LEU A 64 -5.470 5.386 -25.256 1.00 2.14 H new ATOM 0 HA LEU A 64 -2.767 5.496 -26.229 1.00 2.02 H new ATOM 0 HB2 LEU A 64 -4.216 4.269 -24.224 1.00 2.11 H new ATOM 0 HB3 LEU A 64 -4.066 2.924 -25.337 1.00 2.11 H new ATOM 0 HG LEU A 64 -1.496 4.137 -25.301 1.00 2.29 H new ATOM 0 HD11 LEU A 64 -0.958 4.128 -22.882 1.00 2.36 H new ATOM 0 HD12 LEU A 64 -2.202 5.346 -23.253 1.00 2.36 H new ATOM 0 HD13 LEU A 64 -2.665 3.800 -22.502 1.00 2.36 H new ATOM 0 HD21 LEU A 64 -0.852 2.009 -24.213 1.00 2.64 H new ATOM 0 HD22 LEU A 64 -2.560 1.688 -23.827 1.00 2.64 H new ATOM 0 HD23 LEU A 64 -2.023 1.726 -25.523 1.00 2.64 H new ATOM 972 N VAL A 65 -4.706 3.373 -27.849 1.00 2.05 N ATOM 973 CA VAL A 65 -4.763 2.634 -29.148 1.00 2.09 C ATOM 974 C VAL A 65 -4.976 3.630 -30.282 1.00 2.01 C ATOM 975 O VAL A 65 -4.440 3.478 -31.354 1.00 1.97 O ATOM 976 CB VAL A 65 -5.960 1.690 -29.069 1.00 2.32 C ATOM 977 CG1 VAL A 65 -5.935 0.738 -30.265 1.00 2.46 C ATOM 978 CG2 VAL A 65 -5.911 0.873 -27.773 1.00 2.42 C ATOM 0 H VAL A 65 -5.526 3.270 -27.251 1.00 2.05 H new ATOM 0 HA VAL A 65 -3.841 2.083 -29.332 1.00 2.09 H new ATOM 0 HB VAL A 65 -6.876 2.281 -29.082 1.00 2.32 H new ATOM 0 HG11 VAL A 65 -6.789 0.063 -30.211 1.00 2.46 H new ATOM 0 HG12 VAL A 65 -5.986 1.314 -31.189 1.00 2.46 H new ATOM 0 HG13 VAL A 65 -5.012 0.158 -30.249 1.00 2.46 H new ATOM 0 HG21 VAL A 65 -6.771 0.205 -27.731 1.00 2.42 H new ATOM 0 HG22 VAL A 65 -4.993 0.285 -27.748 1.00 2.42 H new ATOM 0 HG23 VAL A 65 -5.934 1.547 -26.917 1.00 2.42 H new ATOM 988 N GLN A 66 -5.752 4.652 -30.040 1.00 2.05 N ATOM 989 CA GLN A 66 -5.997 5.675 -31.100 1.00 2.03 C ATOM 990 C GLN A 66 -4.665 6.271 -31.547 1.00 1.82 C ATOM 991 O GLN A 66 -4.388 6.369 -32.726 1.00 1.75 O ATOM 992 CB GLN A 66 -6.894 6.731 -30.447 1.00 2.19 C ATOM 993 CG GLN A 66 -7.237 7.822 -31.468 1.00 2.50 C ATOM 994 CD GLN A 66 -8.695 7.685 -31.915 1.00 3.42 C ATOM 995 OE1 GLN A 66 -8.969 7.428 -33.070 1.00 3.97 O ATOM 996 NE2 GLN A 66 -9.646 7.840 -31.045 1.00 3.99 N ATOM 0 H GLN A 66 -6.228 4.824 -29.154 1.00 2.05 H new ATOM 0 HA GLN A 66 -6.472 5.259 -31.988 1.00 2.03 H new ATOM 0 HB2 GLN A 66 -7.808 6.267 -30.076 1.00 2.19 H new ATOM 0 HB3 GLN A 66 -6.388 7.170 -29.587 1.00 2.19 H new ATOM 0 HG2 GLN A 66 -7.074 8.806 -31.029 1.00 2.50 H new ATOM 0 HG3 GLN A 66 -6.575 7.745 -32.331 1.00 2.50 H new ATOM 0 HE21 GLN A 66 -9.419 8.056 -30.074 1.00 3.99 H new ATOM 0 HE22 GLN A 66 -10.620 7.746 -31.332 1.00 3.99 H new ATOM 1005 N TYR A 67 -3.827 6.635 -30.615 1.00 1.80 N ATOM 1006 CA TYR A 67 -2.491 7.194 -30.982 1.00 1.71 C ATOM 1007 C TYR A 67 -1.614 6.082 -31.560 1.00 1.66 C ATOM 1008 O TYR A 67 -0.939 6.263 -32.558 1.00 1.61 O ATOM 1009 CB TYR A 67 -1.898 7.728 -29.679 1.00 1.86 C ATOM 1010 CG TYR A 67 -1.355 9.112 -29.923 1.00 2.02 C ATOM 1011 CD1 TYR A 67 -2.214 10.215 -29.899 1.00 2.52 C ATOM 1012 CD2 TYR A 67 0.008 9.293 -30.182 1.00 2.22 C ATOM 1013 CE1 TYR A 67 -1.711 11.498 -30.135 1.00 3.04 C ATOM 1014 CE2 TYR A 67 0.508 10.577 -30.419 1.00 2.82 C ATOM 1015 CZ TYR A 67 -0.352 11.676 -30.393 1.00 3.16 C ATOM 1016 OH TYR A 67 0.143 12.936 -30.622 1.00 3.90 O ATOM 0 H TYR A 67 -4.009 6.570 -29.613 1.00 1.80 H new ATOM 0 HA TYR A 67 -2.561 7.979 -31.735 1.00 1.71 H new ATOM 0 HB2 TYR A 67 -2.660 7.754 -28.900 1.00 1.86 H new ATOM 0 HB3 TYR A 67 -1.105 7.068 -29.327 1.00 1.86 H new ATOM 0 HD1 TYR A 67 -3.266 10.076 -29.698 1.00 2.52 H new ATOM 0 HD2 TYR A 67 0.673 8.442 -30.199 1.00 2.22 H new ATOM 0 HE1 TYR A 67 -2.374 12.350 -30.118 1.00 3.04 H new ATOM 0 HE2 TYR A 67 1.559 10.718 -30.622 1.00 2.82 H new ATOM 0 HH TYR A 67 1.108 12.884 -30.784 1.00 3.90 H new ATOM 1026 N SER A 68 -1.648 4.932 -30.943 1.00 1.74 N ATOM 1027 CA SER A 68 -0.849 3.765 -31.436 1.00 1.84 C ATOM 1028 C SER A 68 -1.277 3.403 -32.863 1.00 1.85 C ATOM 1029 O SER A 68 -0.464 3.025 -33.679 1.00 1.92 O ATOM 1030 CB SER A 68 -1.180 2.616 -30.479 1.00 2.00 C ATOM 1031 OG SER A 68 -0.806 2.977 -29.153 1.00 2.01 O ATOM 0 H SER A 68 -2.202 4.746 -30.107 1.00 1.74 H new ATOM 0 HA SER A 68 0.219 3.980 -31.460 1.00 1.84 H new ATOM 0 HB2 SER A 68 -2.246 2.392 -30.519 1.00 2.00 H new ATOM 0 HB3 SER A 68 -0.652 1.712 -30.783 1.00 2.00 H new ATOM 0 HG SER A 68 -1.609 3.057 -28.597 1.00 2.01 H new ATOM 1037 N ALA A 69 -2.550 3.502 -33.166 1.00 1.85 N ATOM 1038 CA ALA A 69 -3.028 3.157 -34.538 1.00 1.93 C ATOM 1039 C ALA A 69 -2.862 4.340 -35.501 1.00 1.76 C ATOM 1040 O ALA A 69 -2.421 4.177 -36.628 1.00 1.80 O ATOM 1041 CB ALA A 69 -4.507 2.808 -34.361 1.00 2.09 C ATOM 0 H ALA A 69 -3.278 3.808 -32.520 1.00 1.85 H new ATOM 0 HA ALA A 69 -2.456 2.335 -34.970 1.00 1.93 H new ATOM 0 HB1 ALA A 69 -4.936 2.542 -35.327 1.00 2.09 H new ATOM 0 HB2 ALA A 69 -4.603 1.965 -33.677 1.00 2.09 H new ATOM 0 HB3 ALA A 69 -5.038 3.668 -33.953 1.00 2.09 H new ATOM 1047 N LYS A 70 -3.203 5.530 -35.074 1.00 1.63 N ATOM 1048 CA LYS A 70 -3.061 6.711 -35.984 1.00 1.51 C ATOM 1049 C LYS A 70 -1.585 7.050 -36.210 1.00 1.43 C ATOM 1050 O LYS A 70 -1.227 7.609 -37.228 1.00 1.40 O ATOM 1051 CB LYS A 70 -3.814 7.872 -35.310 1.00 1.55 C ATOM 1052 CG LYS A 70 -3.081 8.331 -34.046 1.00 1.55 C ATOM 1053 CD LYS A 70 -2.136 9.485 -34.381 1.00 1.54 C ATOM 1054 CE LYS A 70 -0.866 9.345 -33.542 1.00 1.58 C ATOM 1055 NZ LYS A 70 0.036 10.434 -34.023 1.00 1.66 N ATOM 0 H LYS A 70 -3.570 5.735 -34.145 1.00 1.63 H new ATOM 0 HA LYS A 70 -3.478 6.506 -36.970 1.00 1.51 H new ATOM 0 HB2 LYS A 70 -3.906 8.706 -36.006 1.00 1.55 H new ATOM 0 HB3 LYS A 70 -4.826 7.557 -35.055 1.00 1.55 H new ATOM 0 HG2 LYS A 70 -3.802 8.647 -33.292 1.00 1.55 H new ATOM 0 HG3 LYS A 70 -2.518 7.501 -33.620 1.00 1.55 H new ATOM 0 HD2 LYS A 70 -1.889 9.474 -35.443 1.00 1.54 H new ATOM 0 HD3 LYS A 70 -2.620 10.440 -34.176 1.00 1.54 H new ATOM 0 HE2 LYS A 70 -1.081 9.452 -32.479 1.00 1.58 H new ATOM 0 HE3 LYS A 70 -0.409 8.365 -33.678 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 0.931 10.403 -33.493 1.00 1.66 H new ATOM 0 HZ2 LYS A 70 0.229 10.303 -35.036 1.00 1.66 H new ATOM 0 HZ3 LYS A 70 -0.423 11.356 -33.874 1.00 1.66 H new ATOM 1069 N GLY A 71 -0.723 6.700 -35.284 1.00 1.47 N ATOM 1070 CA GLY A 71 0.737 6.984 -35.462 1.00 1.55 C ATOM 1071 C GLY A 71 1.207 6.374 -36.783 1.00 1.62 C ATOM 1072 O GLY A 71 1.569 7.093 -37.693 1.00 1.59 O ATOM 0 H GLY A 71 -0.968 6.230 -34.413 1.00 1.47 H new ATOM 0 HA2 GLY A 71 0.914 8.060 -35.460 1.00 1.55 H new ATOM 0 HA3 GLY A 71 1.306 6.566 -34.631 1.00 1.55 H new ATOM 1076 N PRO A 72 1.153 5.063 -36.857 1.00 1.79 N ATOM 1077 CA PRO A 72 1.556 4.353 -38.096 1.00 1.98 C ATOM 1078 C PRO A 72 0.586 4.693 -39.237 1.00 1.88 C ATOM 1079 O PRO A 72 0.997 4.851 -40.371 1.00 1.94 O ATOM 1080 CB PRO A 72 1.484 2.874 -37.707 1.00 2.24 C ATOM 1081 CG PRO A 72 0.527 2.835 -36.564 1.00 2.13 C ATOM 1082 CD PRO A 72 0.719 4.126 -35.815 1.00 1.90 C ATOM 0 HA PRO A 72 2.546 4.630 -38.457 1.00 1.98 H new ATOM 0 HB2 PRO A 72 1.135 2.261 -38.538 1.00 2.24 H new ATOM 0 HB3 PRO A 72 2.463 2.491 -37.418 1.00 2.24 H new ATOM 0 HG2 PRO A 72 -0.499 2.739 -36.918 1.00 2.13 H new ATOM 0 HG3 PRO A 72 0.724 1.978 -35.920 1.00 2.13 H new ATOM 0 HD2 PRO A 72 -0.204 4.455 -35.338 1.00 1.90 H new ATOM 0 HD3 PRO A 72 1.466 4.026 -35.028 1.00 1.90 H new ATOM 1090 N CYS A 73 -0.692 4.835 -38.953 1.00 1.78 N ATOM 1091 CA CYS A 73 -1.659 5.195 -40.040 1.00 1.77 C ATOM 1092 C CYS A 73 -1.266 6.544 -40.654 1.00 1.56 C ATOM 1093 O CYS A 73 -1.208 6.698 -41.861 1.00 1.62 O ATOM 1094 CB CYS A 73 -3.030 5.280 -39.366 1.00 1.79 C ATOM 1095 SG CYS A 73 -4.329 5.117 -40.616 1.00 2.20 S ATOM 0 H CYS A 73 -1.101 4.718 -38.026 1.00 1.78 H new ATOM 0 HA CYS A 73 -1.665 4.462 -40.847 1.00 1.77 H new ATOM 0 HB2 CYS A 73 -3.129 4.493 -38.619 1.00 1.79 H new ATOM 0 HB3 CYS A 73 -3.131 6.231 -38.843 1.00 1.79 H new ATOM 0 HG CYS A 73 -5.494 5.187 -40.043 1.00 2.20 H new ATOM 1101 N VAL A 74 -0.971 7.513 -39.826 1.00 1.39 N ATOM 1102 CA VAL A 74 -0.553 8.853 -40.348 1.00 1.27 C ATOM 1103 C VAL A 74 0.859 8.754 -40.930 1.00 1.36 C ATOM 1104 O VAL A 74 1.141 9.274 -41.995 1.00 1.36 O ATOM 1105 CB VAL A 74 -0.597 9.797 -39.139 1.00 1.24 C ATOM 1106 CG1 VAL A 74 0.133 11.100 -39.473 1.00 1.30 C ATOM 1107 CG2 VAL A 74 -2.055 10.116 -38.791 1.00 1.32 C ATOM 0 H VAL A 74 -1.001 7.436 -38.809 1.00 1.39 H new ATOM 0 HA VAL A 74 -1.201 9.216 -41.145 1.00 1.27 H new ATOM 0 HB VAL A 74 -0.112 9.313 -38.291 1.00 1.24 H new ATOM 0 HG11 VAL A 74 0.099 11.767 -38.612 1.00 1.30 H new ATOM 0 HG12 VAL A 74 1.171 10.882 -39.722 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -0.351 11.581 -40.323 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.086 10.787 -37.932 1.00 1.32 H new ATOM 0 HG22 VAL A 74 -2.536 10.596 -39.643 1.00 1.32 H new ATOM 0 HG23 VAL A 74 -2.582 9.193 -38.550 1.00 1.32 H new ATOM 1117 N GLU A 75 1.735 8.062 -40.252 1.00 1.51 N ATOM 1118 CA GLU A 75 3.127 7.890 -40.775 1.00 1.71 C ATOM 1119 C GLU A 75 3.070 7.242 -42.159 1.00 1.82 C ATOM 1120 O GLU A 75 3.776 7.624 -43.074 1.00 1.89 O ATOM 1121 CB GLU A 75 3.825 6.964 -39.776 1.00 1.95 C ATOM 1122 CG GLU A 75 5.107 7.633 -39.270 1.00 2.44 C ATOM 1123 CD GLU A 75 6.179 7.586 -40.355 1.00 2.41 C ATOM 1124 OE1 GLU A 75 6.845 6.569 -40.466 1.00 2.65 O ATOM 1125 OE2 GLU A 75 6.326 8.576 -41.056 1.00 2.62 O ATOM 0 H GLU A 75 1.549 7.607 -39.358 1.00 1.51 H new ATOM 0 HA GLU A 75 3.657 8.837 -40.876 1.00 1.71 H new ATOM 0 HB2 GLU A 75 3.161 6.747 -38.940 1.00 1.95 H new ATOM 0 HB3 GLU A 75 4.062 6.012 -40.251 1.00 1.95 H new ATOM 0 HG2 GLU A 75 4.903 8.667 -38.992 1.00 2.44 H new ATOM 0 HG3 GLU A 75 5.463 7.126 -38.373 1.00 2.44 H new ATOM 1132 N ARG A 76 2.215 6.269 -42.316 1.00 1.90 N ATOM 1133 CA ARG A 76 2.081 5.590 -43.632 1.00 2.09 C ATOM 1134 C ARG A 76 1.404 6.519 -44.645 1.00 1.94 C ATOM 1135 O ARG A 76 1.850 6.643 -45.768 1.00 2.06 O ATOM 1136 CB ARG A 76 1.220 4.358 -43.374 1.00 2.23 C ATOM 1137 CG ARG A 76 1.320 3.433 -44.584 1.00 2.50 C ATOM 1138 CD ARG A 76 -0.022 2.750 -44.827 1.00 2.60 C ATOM 1139 NE ARG A 76 0.345 1.412 -45.366 1.00 3.01 N ATOM 1140 CZ ARG A 76 0.201 0.358 -44.638 1.00 3.30 C ATOM 1141 NH1 ARG A 76 1.065 0.088 -43.716 1.00 3.63 N ATOM 1142 NH2 ARG A 76 -0.812 -0.416 -44.831 1.00 3.65 N ATOM 0 H ARG A 76 1.600 5.914 -41.583 1.00 1.90 H new ATOM 0 HA ARG A 76 3.051 5.320 -44.048 1.00 2.09 H new ATOM 0 HB2 ARG A 76 1.557 3.842 -42.475 1.00 2.23 H new ATOM 0 HB3 ARG A 76 0.183 4.649 -43.205 1.00 2.23 H new ATOM 0 HG2 ARG A 76 1.613 4.003 -45.466 1.00 2.50 H new ATOM 0 HG3 ARG A 76 2.094 2.684 -44.417 1.00 2.50 H new ATOM 0 HD2 ARG A 76 -0.598 2.664 -43.906 1.00 2.60 H new ATOM 0 HD3 ARG A 76 -0.633 3.311 -45.534 1.00 2.60 H new ATOM 0 HE ARG A 76 0.712 1.329 -46.314 1.00 3.01 H new ATOM 0 HH11 ARG A 76 1.860 0.709 -43.565 1.00 3.63 H new ATOM 0 HH12 ARG A 76 0.952 -0.746 -43.139 1.00 3.63 H new ATOM 0 HH21 ARG A 76 -1.494 -0.193 -45.556 1.00 3.65 H new ATOM 0 HH22 ARG A 76 -0.932 -1.252 -44.258 1.00 3.65 H new ATOM 1156 N LYS A 77 0.340 7.182 -44.260 1.00 1.74 N ATOM 1157 CA LYS A 77 -0.343 8.113 -45.212 1.00 1.66 C ATOM 1158 C LYS A 77 0.640 9.207 -45.642 1.00 1.55 C ATOM 1159 O LYS A 77 0.753 9.542 -46.808 1.00 1.62 O ATOM 1160 CB LYS A 77 -1.520 8.709 -44.427 1.00 1.51 C ATOM 1161 CG LYS A 77 -2.763 7.829 -44.612 1.00 1.85 C ATOM 1162 CD LYS A 77 -3.956 8.700 -45.028 1.00 2.01 C ATOM 1163 CE LYS A 77 -3.918 8.938 -46.541 1.00 2.27 C ATOM 1164 NZ LYS A 77 -4.672 10.209 -46.745 1.00 2.37 N ATOM 0 H LYS A 77 -0.083 7.119 -43.334 1.00 1.74 H new ATOM 0 HA LYS A 77 -0.689 7.612 -46.116 1.00 1.66 H new ATOM 0 HB2 LYS A 77 -1.266 8.779 -43.369 1.00 1.51 H new ATOM 0 HB3 LYS A 77 -1.725 9.722 -44.773 1.00 1.51 H new ATOM 0 HG2 LYS A 77 -2.573 7.069 -45.370 1.00 1.85 H new ATOM 0 HG3 LYS A 77 -2.990 7.304 -43.684 1.00 1.85 H new ATOM 0 HD2 LYS A 77 -4.890 8.211 -44.750 1.00 2.01 H new ATOM 0 HD3 LYS A 77 -3.925 9.653 -44.499 1.00 2.01 H new ATOM 0 HE2 LYS A 77 -2.893 9.023 -46.903 1.00 2.27 H new ATOM 0 HE3 LYS A 77 -4.380 8.113 -47.083 1.00 2.27 H new ATOM 0 HZ1 LYS A 77 -4.780 10.389 -47.764 1.00 2.37 H new ATOM 0 HZ2 LYS A 77 -5.612 10.129 -46.306 1.00 2.37 H new ATOM 0 HZ3 LYS A 77 -4.151 10.996 -46.307 1.00 2.37 H new ATOM 1178 N ALA A 78 1.365 9.744 -44.698 1.00 1.45 N ATOM 1179 CA ALA A 78 2.366 10.809 -45.008 1.00 1.46 C ATOM 1180 C ALA A 78 3.488 10.261 -45.901 1.00 1.68 C ATOM 1181 O ALA A 78 3.842 10.844 -46.905 1.00 1.72 O ATOM 1182 CB ALA A 78 2.914 11.237 -43.642 1.00 1.45 C ATOM 0 H ALA A 78 1.306 9.488 -43.712 1.00 1.45 H new ATOM 0 HA ALA A 78 1.925 11.643 -45.553 1.00 1.46 H new ATOM 0 HB1 ALA A 78 3.659 12.020 -43.778 1.00 1.45 H new ATOM 0 HB2 ALA A 78 2.099 11.615 -43.025 1.00 1.45 H new ATOM 0 HB3 ALA A 78 3.374 10.380 -43.150 1.00 1.45 H new ATOM 1188 N LYS A 79 4.045 9.149 -45.537 1.00 1.85 N ATOM 1189 CA LYS A 79 5.151 8.554 -46.350 1.00 2.11 C ATOM 1190 C LYS A 79 4.643 8.054 -47.712 1.00 2.20 C ATOM 1191 O LYS A 79 5.254 8.295 -48.733 1.00 2.37 O ATOM 1192 CB LYS A 79 5.656 7.384 -45.507 1.00 2.28 C ATOM 1193 CG LYS A 79 6.609 7.903 -44.430 1.00 2.32 C ATOM 1194 CD LYS A 79 7.538 6.769 -43.997 1.00 2.61 C ATOM 1195 CE LYS A 79 8.854 7.350 -43.465 1.00 2.98 C ATOM 1196 NZ LYS A 79 8.555 7.810 -42.075 1.00 2.88 N ATOM 0 H LYS A 79 3.786 8.616 -44.707 1.00 1.85 H new ATOM 0 HA LYS A 79 5.930 9.284 -46.570 1.00 2.11 H new ATOM 0 HB2 LYS A 79 4.816 6.866 -45.045 1.00 2.28 H new ATOM 0 HB3 LYS A 79 6.167 6.660 -46.141 1.00 2.28 H new ATOM 0 HG2 LYS A 79 7.191 8.740 -44.815 1.00 2.32 H new ATOM 0 HG3 LYS A 79 6.044 8.274 -43.575 1.00 2.32 H new ATOM 0 HD2 LYS A 79 7.057 6.167 -43.226 1.00 2.61 H new ATOM 0 HD3 LYS A 79 7.736 6.107 -44.840 1.00 2.61 H new ATOM 0 HE2 LYS A 79 9.644 6.599 -43.468 1.00 2.98 H new ATOM 0 HE3 LYS A 79 9.197 8.177 -44.087 1.00 2.98 H new ATOM 0 HZ1 LYS A 79 9.404 8.249 -41.665 1.00 2.88 H new ATOM 0 HZ2 LYS A 79 7.782 8.505 -42.098 1.00 2.88 H new ATOM 0 HZ3 LYS A 79 8.271 6.996 -41.493 1.00 2.88 H new ATOM 1210 N LEU A 80 3.546 7.339 -47.730 1.00 2.15 N ATOM 1211 CA LEU A 80 3.016 6.798 -49.019 1.00 2.30 C ATOM 1212 C LEU A 80 2.444 7.900 -49.922 1.00 2.27 C ATOM 1213 O LEU A 80 2.800 8.002 -51.079 1.00 2.52 O ATOM 1214 CB LEU A 80 1.919 5.805 -48.613 1.00 2.31 C ATOM 1215 CG LEU A 80 1.343 5.128 -49.861 1.00 2.56 C ATOM 1216 CD1 LEU A 80 1.952 3.736 -50.013 1.00 2.85 C ATOM 1217 CD2 LEU A 80 -0.175 5.002 -49.721 1.00 2.66 C ATOM 0 H LEU A 80 2.993 7.106 -46.905 1.00 2.15 H new ATOM 0 HA LEU A 80 3.809 6.330 -49.602 1.00 2.30 H new ATOM 0 HB2 LEU A 80 2.328 5.054 -47.937 1.00 2.31 H new ATOM 0 HB3 LEU A 80 1.128 6.324 -48.072 1.00 2.31 H new ATOM 0 HG LEU A 80 1.580 5.729 -50.739 1.00 2.56 H new ATOM 0 HD11 LEU A 80 1.542 3.255 -50.901 1.00 2.85 H new ATOM 0 HD12 LEU A 80 3.034 3.821 -50.113 1.00 2.85 H new ATOM 0 HD13 LEU A 80 1.715 3.137 -49.134 1.00 2.85 H new ATOM 0 HD21 LEU A 80 -0.584 4.520 -50.609 1.00 2.66 H new ATOM 0 HD22 LEU A 80 -0.411 4.402 -48.842 1.00 2.66 H new ATOM 0 HD23 LEU A 80 -0.614 5.994 -49.612 1.00 2.66 H new ATOM 1229 N MET A 81 1.549 8.701 -49.418 1.00 2.01 N ATOM 1230 CA MET A 81 0.938 9.774 -50.273 1.00 2.04 C ATOM 1231 C MET A 81 1.574 11.151 -50.019 1.00 1.84 C ATOM 1232 O MET A 81 1.552 12.006 -50.881 1.00 1.92 O ATOM 1233 CB MET A 81 -0.549 9.778 -49.909 1.00 1.92 C ATOM 1234 CG MET A 81 -1.376 9.846 -51.196 1.00 2.49 C ATOM 1235 SD MET A 81 -2.929 8.949 -50.971 1.00 2.89 S ATOM 1236 CE MET A 81 -3.332 8.777 -52.727 1.00 3.19 C ATOM 0 H MET A 81 1.211 8.666 -48.456 1.00 2.01 H new ATOM 0 HA MET A 81 1.102 9.574 -51.332 1.00 2.04 H new ATOM 0 HB2 MET A 81 -0.801 8.879 -49.346 1.00 1.92 H new ATOM 0 HB3 MET A 81 -0.778 10.630 -49.269 1.00 1.92 H new ATOM 0 HG2 MET A 81 -1.579 10.885 -51.454 1.00 2.49 H new ATOM 0 HG3 MET A 81 -0.813 9.416 -52.024 1.00 2.49 H new ATOM 0 HE1 MET A 81 -4.275 8.241 -52.833 1.00 3.19 H new ATOM 0 HE2 MET A 81 -3.424 9.765 -53.178 1.00 3.19 H new ATOM 0 HE3 MET A 81 -2.540 8.222 -53.229 1.00 3.19 H new ATOM 1246 N THR A 82 2.144 11.371 -48.856 1.00 1.77 N ATOM 1247 CA THR A 82 2.793 12.692 -48.546 1.00 1.96 C ATOM 1248 C THR A 82 1.829 13.863 -48.786 1.00 1.91 C ATOM 1249 O THR A 82 1.887 14.525 -49.806 1.00 2.02 O ATOM 1250 CB THR A 82 4.011 12.786 -49.475 1.00 2.47 C ATOM 1251 OG1 THR A 82 4.890 11.690 -49.240 1.00 2.77 O ATOM 1252 CG2 THR A 82 4.756 14.089 -49.197 1.00 2.90 C ATOM 0 H THR A 82 2.189 10.687 -48.101 1.00 1.77 H new ATOM 0 HA THR A 82 3.081 12.751 -47.496 1.00 1.96 H new ATOM 0 HB THR A 82 3.672 12.761 -50.511 1.00 2.47 H new ATOM 0 HG1 THR A 82 4.698 11.299 -48.362 1.00 2.77 H new ATOM 0 HG21 THR A 82 5.622 14.160 -49.855 1.00 2.90 H new ATOM 0 HG22 THR A 82 4.092 14.934 -49.379 1.00 2.90 H new ATOM 0 HG23 THR A 82 5.087 14.105 -48.158 1.00 2.90 H new ATOM 1260 N PRO A 83 0.985 14.095 -47.814 1.00 1.90 N ATOM 1261 CA PRO A 83 -0.003 15.204 -47.894 1.00 2.11 C ATOM 1262 C PRO A 83 0.649 16.588 -47.719 1.00 2.42 C ATOM 1263 O PRO A 83 -0.035 17.558 -47.458 1.00 2.72 O ATOM 1264 CB PRO A 83 -0.948 14.924 -46.735 1.00 2.26 C ATOM 1265 CG PRO A 83 -0.137 14.131 -45.763 1.00 2.12 C ATOM 1266 CD PRO A 83 0.861 13.343 -46.563 1.00 1.87 C ATOM 0 HA PRO A 83 -0.492 15.236 -48.868 1.00 2.11 H new ATOM 0 HB2 PRO A 83 -1.309 15.850 -46.286 1.00 2.26 H new ATOM 0 HB3 PRO A 83 -1.825 14.367 -47.065 1.00 2.26 H new ATOM 0 HG2 PRO A 83 0.369 14.789 -45.056 1.00 2.12 H new ATOM 0 HG3 PRO A 83 -0.775 13.467 -45.180 1.00 2.12 H new ATOM 0 HD2 PRO A 83 1.818 13.268 -46.046 1.00 1.87 H new ATOM 0 HD3 PRO A 83 0.515 12.325 -46.742 1.00 1.87 H new ATOM 1274 N ASN A 84 1.944 16.712 -47.880 1.00 2.53 N ATOM 1275 CA ASN A 84 2.594 18.060 -47.747 1.00 3.01 C ATOM 1276 C ASN A 84 2.208 18.923 -48.967 1.00 3.16 C ATOM 1277 O ASN A 84 3.050 19.451 -49.669 1.00 3.40 O ATOM 1278 CB ASN A 84 4.106 17.784 -47.733 1.00 3.21 C ATOM 1279 CG ASN A 84 4.632 17.808 -46.296 1.00 3.57 C ATOM 1280 OD1 ASN A 84 4.722 16.786 -45.652 1.00 3.96 O ATOM 1281 ND2 ASN A 84 4.995 18.942 -45.768 1.00 3.84 N ATOM 0 H ASN A 84 2.579 15.944 -48.097 1.00 2.53 H new ATOM 0 HA ASN A 84 2.283 18.594 -46.849 1.00 3.01 H new ATOM 0 HB2 ASN A 84 4.311 16.815 -48.187 1.00 3.21 H new ATOM 0 HB3 ASN A 84 4.626 18.532 -48.331 1.00 3.21 H new ATOM 0 HD21 ASN A 84 5.354 18.968 -44.814 1.00 3.84 H new ATOM 0 HD22 ASN A 84 4.920 19.804 -46.309 1.00 3.84 H new ATOM 1288 N GLY A 85 0.930 19.037 -49.223 1.00 3.08 N ATOM 1289 CA GLY A 85 0.440 19.822 -50.396 1.00 3.27 C ATOM 1290 C GLY A 85 -0.737 19.065 -51.026 1.00 2.86 C ATOM 1291 O GLY A 85 -1.880 19.442 -50.852 1.00 3.07 O ATOM 0 H GLY A 85 0.194 18.612 -48.659 1.00 3.08 H new ATOM 0 HA2 GLY A 85 0.126 20.818 -50.082 1.00 3.27 H new ATOM 0 HA3 GLY A 85 1.240 19.955 -51.125 1.00 3.27 H new ATOM 1295 N PRO A 86 -0.420 18.002 -51.732 1.00 2.44 N ATOM 1296 CA PRO A 86 -1.474 17.173 -52.371 1.00 2.18 C ATOM 1297 C PRO A 86 -2.121 16.241 -51.335 1.00 2.10 C ATOM 1298 O PRO A 86 -1.865 16.353 -50.149 1.00 2.22 O ATOM 1299 CB PRO A 86 -0.711 16.389 -53.435 1.00 2.02 C ATOM 1300 CG PRO A 86 0.701 16.317 -52.938 1.00 2.13 C ATOM 1301 CD PRO A 86 0.926 17.477 -51.994 1.00 2.42 C ATOM 0 HA PRO A 86 -2.292 17.756 -52.794 1.00 2.18 H new ATOM 0 HB2 PRO A 86 -1.133 15.393 -53.567 1.00 2.02 H new ATOM 0 HB3 PRO A 86 -0.762 16.888 -54.403 1.00 2.02 H new ATOM 0 HG2 PRO A 86 0.877 15.371 -52.427 1.00 2.13 H new ATOM 0 HG3 PRO A 86 1.401 16.364 -53.772 1.00 2.13 H new ATOM 0 HD2 PRO A 86 1.412 17.152 -51.074 1.00 2.42 H new ATOM 0 HD3 PRO A 86 1.568 18.235 -52.442 1.00 2.42 H new ATOM 1309 N GLU A 87 -2.985 15.348 -51.768 1.00 2.12 N ATOM 1310 CA GLU A 87 -3.699 14.415 -50.820 1.00 2.34 C ATOM 1311 C GLU A 87 -4.673 15.205 -49.929 1.00 2.80 C ATOM 1312 O GLU A 87 -5.838 14.873 -49.815 1.00 3.25 O ATOM 1313 CB GLU A 87 -2.613 13.726 -49.984 1.00 2.12 C ATOM 1314 CG GLU A 87 -3.133 12.365 -49.501 1.00 2.42 C ATOM 1315 CD GLU A 87 -3.113 12.310 -47.977 1.00 2.44 C ATOM 1316 OE1 GLU A 87 -3.949 12.952 -47.368 1.00 2.89 O ATOM 1317 OE2 GLU A 87 -2.282 11.599 -47.438 1.00 2.52 O ATOM 0 H GLU A 87 -3.231 15.222 -52.750 1.00 2.12 H new ATOM 0 HA GLU A 87 -4.293 13.676 -51.358 1.00 2.34 H new ATOM 0 HB2 GLU A 87 -1.709 13.593 -50.579 1.00 2.12 H new ATOM 0 HB3 GLU A 87 -2.344 14.349 -49.131 1.00 2.12 H new ATOM 0 HG2 GLU A 87 -4.147 12.204 -49.866 1.00 2.42 H new ATOM 0 HG3 GLU A 87 -2.516 11.565 -49.910 1.00 2.42 H new ATOM 1324 N VAL A 88 -4.198 16.252 -49.321 1.00 2.87 N ATOM 1325 CA VAL A 88 -5.061 17.105 -48.447 1.00 3.48 C ATOM 1326 C VAL A 88 -5.319 18.483 -49.101 1.00 3.76 C ATOM 1327 O VAL A 88 -6.085 19.275 -48.589 1.00 4.31 O ATOM 1328 CB VAL A 88 -4.258 17.260 -47.146 1.00 3.64 C ATOM 1329 CG1 VAL A 88 -3.052 18.177 -47.384 1.00 3.59 C ATOM 1330 CG2 VAL A 88 -5.151 17.863 -46.057 1.00 4.32 C ATOM 0 H VAL A 88 -3.229 16.563 -49.391 1.00 2.87 H new ATOM 0 HA VAL A 88 -6.042 16.662 -48.278 1.00 3.48 H new ATOM 0 HB VAL A 88 -3.907 16.279 -46.826 1.00 3.64 H new ATOM 0 HG11 VAL A 88 -2.487 18.283 -46.458 1.00 3.59 H new ATOM 0 HG12 VAL A 88 -2.412 17.744 -48.152 1.00 3.59 H new ATOM 0 HG13 VAL A 88 -3.399 19.157 -47.711 1.00 3.59 H new ATOM 0 HG21 VAL A 88 -4.579 17.972 -45.136 1.00 4.32 H new ATOM 0 HG22 VAL A 88 -5.508 18.841 -46.380 1.00 4.32 H new ATOM 0 HG23 VAL A 88 -6.003 17.206 -45.880 1.00 4.32 H new ATOM 1340 N HIS A 89 -4.681 18.775 -50.224 1.00 3.47 N ATOM 1341 CA HIS A 89 -4.882 20.101 -50.902 1.00 3.84 C ATOM 1342 C HIS A 89 -4.452 21.249 -49.965 1.00 4.32 C ATOM 1343 O HIS A 89 -5.182 22.201 -49.744 1.00 4.84 O ATOM 1344 CB HIS A 89 -6.384 20.160 -51.247 1.00 4.22 C ATOM 1345 CG HIS A 89 -6.582 19.850 -52.710 1.00 3.97 C ATOM 1346 ND1 HIS A 89 -7.743 19.266 -53.196 1.00 3.73 N ATOM 1347 CD2 HIS A 89 -5.770 20.027 -53.804 1.00 4.32 C ATOM 1348 CE1 HIS A 89 -7.597 19.112 -54.525 1.00 3.96 C ATOM 1349 NE2 HIS A 89 -6.412 19.559 -54.947 1.00 4.24 N ATOM 0 H HIS A 89 -4.030 18.147 -50.696 1.00 3.47 H new ATOM 0 HA HIS A 89 -4.277 20.209 -51.802 1.00 3.84 H new ATOM 0 HB2 HIS A 89 -6.936 19.446 -50.636 1.00 4.22 H new ATOM 0 HB3 HIS A 89 -6.781 21.149 -51.018 1.00 4.22 H new ATOM 0 HD2 HIS A 89 -4.782 20.463 -53.781 1.00 4.32 H new ATOM 0 HE1 HIS A 89 -8.347 18.680 -55.171 1.00 3.96 H new ATOM 0 HE2 HIS A 89 -6.054 19.558 -55.902 1.00 4.24 H new ATOM 1357 N GLY A 90 -3.256 21.158 -49.424 1.00 4.25 N ATOM 1358 CA GLY A 90 -2.743 22.223 -48.502 1.00 4.82 C ATOM 1359 C GLY A 90 -1.212 22.190 -48.463 1.00 4.87 C ATOM 1360 O GLY A 90 -0.673 21.469 -47.638 1.00 4.97 O ATOM 1361 OXT GLY A 90 -0.603 22.890 -49.253 1.00 5.11 O ATOM 0 H GLY A 90 -2.610 20.385 -49.584 1.00 4.25 H new ATOM 0 HA2 GLY A 90 -3.085 23.202 -48.838 1.00 4.82 H new ATOM 0 HA3 GLY A 90 -3.144 22.072 -47.500 1.00 4.82 H new TER 1365 GLY A 90