USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 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 -163:sc= -1.36 (180deg=-2.21!) USER MOD Set 1.2: A 85 TYR OH : rot 102:sc= 0.00862 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.63 K(o=1.6,f=-3) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 167:sc= 0.968 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 89:sc= 1.25 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 30 ASN : amide:sc= 0.914 X(o=0.91,f=0.78) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.2) USER MOD Single : A 52 ASN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 53 SER OG : rot 69:sc= 1.16 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0982 X(o=-0.098,f=-0.024) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.23) USER MOD Single : A 67 MET CE :methyl -157:sc= -0.0189 (180deg=-0.528) USER MOD Single : A 69 THR OG1 : rot -79:sc= 1.2 USER MOD Single : A 82 ASN : amide:sc= -0.0393 K(o=-0.039,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -4.318 -3.323 -2.265 0.49 2.57 N ATOM 2 CA ASN A 14 -3.544 -2.580 -3.280 0.49 2.16 C ATOM 3 C ASN A 14 -2.046 -2.747 -3.054 0.49 1.92 C ATOM 4 O ASN A 14 -1.569 -2.391 -1.976 0.49 2.02 O ATOM 5 CB ASN A 14 -3.898 -1.083 -3.324 0.49 2.66 C ATOM 6 CG ASN A 14 -5.336 -0.881 -3.767 0.49 3.12 C ATOM 7 OD1 ASN A 14 -6.258 -1.334 -3.102 0.49 3.88 O ATOM 8 ND2 ASN A 14 -5.572 -0.294 -4.919 0.49 3.24 N ATOM 0 HA ASN A 14 -3.817 -3.010 -4.244 0.49 2.16 H new ATOM 0 HB2 ASN A 14 -3.751 -0.641 -2.339 0.49 2.66 H new ATOM 0 HB3 ASN A 14 -3.226 -0.566 -4.009 0.49 2.66 H new ATOM 0 HD21 ASN A 14 -6.529 -0.214 -5.264 0.49 3.24 H new ATOM 0 HD22 ASN A 14 -4.799 0.081 -5.468 0.49 3.24 H new ATOM 15 N PRO A 15 -1.293 -3.213 -4.066 0.49 1.73 N ATOM 16 CA PRO A 15 0.166 -3.122 -4.087 0.49 1.63 C ATOM 17 C PRO A 15 0.626 -1.656 -4.148 0.49 1.58 C ATOM 18 O PRO A 15 -0.069 -0.785 -4.678 0.49 1.69 O ATOM 19 CB PRO A 15 0.602 -3.910 -5.323 0.49 1.63 C ATOM 20 CG PRO A 15 -0.589 -3.774 -6.273 0.49 1.67 C ATOM 21 CD PRO A 15 -1.785 -3.741 -5.332 0.49 1.73 C ATOM 0 HA PRO A 15 0.615 -3.530 -3.182 0.49 1.63 H new ATOM 0 HB2 PRO A 15 1.512 -3.500 -5.760 0.49 1.63 H new ATOM 0 HB3 PRO A 15 0.806 -4.953 -5.082 0.49 1.63 H new ATOM 0 HG2 PRO A 15 -0.524 -2.866 -6.873 0.49 1.67 H new ATOM 0 HG3 PRO A 15 -0.647 -4.612 -6.968 0.49 1.67 H new ATOM 0 HD2 PRO A 15 -2.579 -3.112 -5.734 0.49 1.73 H new ATOM 0 HD3 PRO A 15 -2.205 -4.738 -5.201 0.49 1.73 H new ATOM 29 N CYS A 16 1.806 -1.364 -3.601 1.00 1.54 N ATOM 30 CA CYS A 16 2.271 0.009 -3.377 1.00 1.62 C ATOM 31 C CYS A 16 3.186 0.524 -4.506 1.00 1.46 C ATOM 32 O CYS A 16 4.402 0.672 -4.340 1.00 1.29 O ATOM 33 CB CYS A 16 2.834 0.115 -1.951 1.00 1.79 C ATOM 34 SG CYS A 16 1.939 1.345 -0.984 1.00 1.56 S ATOM 0 H CYS A 16 2.471 -2.076 -3.298 1.00 1.54 H new ATOM 0 HA CYS A 16 1.433 0.704 -3.433 1.00 1.62 H new ATOM 0 HB2 CYS A 16 2.769 -0.855 -1.459 1.00 1.79 H new ATOM 0 HB3 CYS A 16 3.890 0.381 -1.993 1.00 1.79 H new ATOM 39 N LEU A 17 2.602 0.748 -5.688 1.00 1.61 N ATOM 40 CA LEU A 17 3.337 1.105 -6.909 1.00 1.59 C ATOM 41 C LEU A 17 4.085 2.442 -6.794 1.00 1.63 C ATOM 42 O LEU A 17 5.216 2.522 -7.266 1.00 1.60 O ATOM 43 CB LEU A 17 2.385 1.119 -8.127 1.00 1.80 C ATOM 44 CG LEU A 17 2.125 -0.227 -8.831 1.00 1.78 C ATOM 45 CD1 LEU A 17 3.394 -0.814 -9.455 1.00 1.91 C ATOM 46 CD2 LEU A 17 1.516 -1.271 -7.900 1.00 2.67 C ATOM 0 H LEU A 17 1.593 0.686 -5.827 1.00 1.61 H new ATOM 0 HA LEU A 17 4.097 0.337 -7.052 1.00 1.59 H new ATOM 0 HB2 LEU A 17 1.426 1.521 -7.802 1.00 1.80 H new ATOM 0 HB3 LEU A 17 2.789 1.814 -8.864 1.00 1.80 H new ATOM 0 HG LEU A 17 1.409 0.005 -9.620 1.00 1.78 H new ATOM 0 HD11 LEU A 17 3.157 -1.762 -9.938 1.00 1.91 H new ATOM 0 HD12 LEU A 17 3.791 -0.119 -10.195 1.00 1.91 H new ATOM 0 HD13 LEU A 17 4.139 -0.980 -8.677 1.00 1.91 H new ATOM 0 HD21 LEU A 17 1.355 -2.198 -8.449 1.00 2.67 H new ATOM 0 HD22 LEU A 17 2.195 -1.456 -7.067 1.00 2.67 H new ATOM 0 HD23 LEU A 17 0.563 -0.906 -7.517 1.00 2.67 H new ATOM 58 N SER A 18 3.526 3.456 -6.130 1.00 1.73 N ATOM 59 CA SER A 18 4.181 4.764 -5.947 1.00 1.79 C ATOM 60 C SER A 18 5.352 4.689 -4.974 1.00 1.71 C ATOM 61 O SER A 18 6.427 5.217 -5.266 1.00 1.70 O ATOM 62 CB SER A 18 3.203 5.785 -5.381 1.00 1.97 C ATOM 63 OG SER A 18 2.086 5.950 -6.235 1.00 2.09 O ATOM 0 H SER A 18 2.603 3.398 -5.700 1.00 1.73 H new ATOM 0 HA SER A 18 4.536 5.060 -6.934 1.00 1.79 H new ATOM 0 HB2 SER A 18 2.867 5.463 -4.395 1.00 1.97 H new ATOM 0 HB3 SER A 18 3.708 6.742 -5.249 1.00 1.97 H new ATOM 0 HG SER A 18 1.473 6.609 -5.848 1.00 2.09 H new ATOM 69 N GLU A 19 5.175 3.984 -3.854 1.00 1.69 N ATOM 70 CA GLU A 19 6.255 3.713 -2.895 1.00 1.66 C ATOM 71 C GLU A 19 7.365 2.880 -3.568 1.00 1.41 C ATOM 72 O GLU A 19 8.553 3.075 -3.309 1.00 1.43 O ATOM 73 CB GLU A 19 5.665 2.991 -1.665 1.00 1.71 C ATOM 74 CG GLU A 19 6.422 3.264 -0.353 1.00 1.93 C ATOM 75 CD GLU A 19 6.121 4.639 0.271 1.00 2.25 C ATOM 76 OE1 GLU A 19 5.553 5.534 -0.398 1.00 2.16 O ATOM 77 OE2 GLU A 19 6.474 4.864 1.457 1.00 3.44 O ATOM 0 H GLU A 19 4.277 3.583 -3.584 1.00 1.69 H new ATOM 0 HA GLU A 19 6.706 4.648 -2.563 1.00 1.66 H new ATOM 0 HB2 GLU A 19 4.626 3.296 -1.542 1.00 1.71 H new ATOM 0 HB3 GLU A 19 5.662 1.917 -1.854 1.00 1.71 H new ATOM 0 HG2 GLU A 19 6.170 2.486 0.368 1.00 1.93 H new ATOM 0 HG3 GLU A 19 7.493 3.189 -0.541 1.00 1.93 H new ATOM 84 N SER A 20 6.977 2.019 -4.519 1.00 1.24 N ATOM 85 CA SER A 20 7.911 1.224 -5.339 1.00 1.12 C ATOM 86 C SER A 20 8.607 2.044 -6.439 1.00 1.25 C ATOM 87 O SER A 20 9.761 1.782 -6.773 1.00 1.17 O ATOM 88 CB SER A 20 7.211 0.010 -5.956 1.00 1.15 C ATOM 89 OG SER A 20 6.597 -0.766 -4.947 1.00 2.30 O ATOM 0 H SER A 20 5.997 1.851 -4.745 1.00 1.24 H new ATOM 0 HA SER A 20 8.688 0.884 -4.654 1.00 1.12 H new ATOM 0 HB2 SER A 20 6.463 0.340 -6.677 1.00 1.15 H new ATOM 0 HB3 SER A 20 7.933 -0.597 -6.502 1.00 1.15 H new ATOM 0 HG SER A 20 5.685 -0.442 -4.795 1.00 2.30 H new ATOM 95 N ASP A 21 7.973 3.092 -6.965 1.00 1.50 N ATOM 96 CA ASP A 21 8.597 4.053 -7.883 1.00 1.69 C ATOM 97 C ASP A 21 9.577 4.989 -7.145 1.00 1.77 C ATOM 98 O ASP A 21 10.613 5.354 -7.710 1.00 1.95 O ATOM 99 CB ASP A 21 7.506 4.838 -8.633 1.00 1.85 C ATOM 100 CG ASP A 21 7.285 4.329 -10.062 1.00 2.58 C ATOM 101 OD1 ASP A 21 6.532 3.344 -10.243 1.00 4.29 O ATOM 102 OD2 ASP A 21 7.810 4.955 -11.013 1.00 2.43 O ATOM 0 H ASP A 21 6.996 3.303 -6.764 1.00 1.50 H new ATOM 0 HA ASP A 21 9.189 3.504 -8.615 1.00 1.69 H new ATOM 0 HB2 ASP A 21 6.570 4.770 -8.079 1.00 1.85 H new ATOM 0 HB3 ASP A 21 7.781 5.892 -8.666 1.00 1.85 H new ATOM 107 N ALA A 22 9.319 5.324 -5.876 1.00 1.71 N ATOM 108 CA ALA A 22 10.265 6.036 -5.016 1.00 1.76 C ATOM 109 C ALA A 22 11.447 5.127 -4.614 1.00 1.51 C ATOM 110 O ALA A 22 12.602 5.547 -4.680 1.00 1.52 O ATOM 111 CB ALA A 22 9.494 6.595 -3.813 1.00 1.88 C ATOM 0 H ALA A 22 8.437 5.105 -5.414 1.00 1.71 H new ATOM 0 HA ALA A 22 10.716 6.871 -5.552 1.00 1.76 H new ATOM 0 HB1 ALA A 22 10.181 7.130 -3.158 1.00 1.88 H new ATOM 0 HB2 ALA A 22 8.719 7.278 -4.163 1.00 1.88 H new ATOM 0 HB3 ALA A 22 9.033 5.774 -3.263 1.00 1.88 H new ATOM 117 N SER A 23 11.178 3.848 -4.321 1.00 1.30 N ATOM 118 CA SER A 23 12.202 2.800 -4.173 1.00 1.12 C ATOM 119 C SER A 23 13.073 2.703 -5.434 1.00 1.21 C ATOM 120 O SER A 23 14.297 2.773 -5.353 1.00 1.26 O ATOM 121 CB SER A 23 11.506 1.465 -3.882 1.00 0.98 C ATOM 122 OG SER A 23 12.406 0.416 -3.594 1.00 1.26 O ATOM 0 H SER A 23 10.228 3.505 -4.177 1.00 1.30 H new ATOM 0 HA SER A 23 12.862 3.052 -3.343 1.00 1.12 H new ATOM 0 HB2 SER A 23 10.827 1.594 -3.039 1.00 0.98 H new ATOM 0 HB3 SER A 23 10.897 1.186 -4.742 1.00 0.98 H new ATOM 0 HG SER A 23 11.904 -0.406 -3.416 1.00 1.26 H new ATOM 128 N THR A 24 12.453 2.680 -6.622 1.00 1.38 N ATOM 129 CA THR A 24 13.145 2.694 -7.925 1.00 1.67 C ATOM 130 C THR A 24 14.037 3.929 -8.085 1.00 1.90 C ATOM 131 O THR A 24 15.181 3.804 -8.519 1.00 2.02 O ATOM 132 CB THR A 24 12.137 2.628 -9.088 1.00 1.90 C ATOM 133 OG1 THR A 24 11.328 1.476 -8.967 1.00 1.76 O ATOM 134 CG2 THR A 24 12.808 2.511 -10.457 1.00 2.20 C ATOM 0 H THR A 24 11.437 2.651 -6.709 1.00 1.38 H new ATOM 0 HA THR A 24 13.780 1.809 -7.953 1.00 1.67 H new ATOM 0 HB THR A 24 11.568 3.556 -9.028 1.00 1.90 H new ATOM 0 HG1 THR A 24 10.666 1.614 -8.258 1.00 1.76 H new ATOM 0 HG21 THR A 24 12.045 2.469 -11.234 1.00 2.20 H new ATOM 0 HG22 THR A 24 13.448 3.377 -10.624 1.00 2.20 H new ATOM 0 HG23 THR A 24 13.410 1.603 -10.491 1.00 2.20 H new ATOM 142 N ARG A 25 13.572 5.117 -7.674 1.00 1.99 N ATOM 143 CA ARG A 25 14.372 6.357 -7.707 1.00 2.18 C ATOM 144 C ARG A 25 15.561 6.333 -6.743 1.00 2.03 C ATOM 145 O ARG A 25 16.643 6.774 -7.138 1.00 2.17 O ATOM 146 CB ARG A 25 13.457 7.565 -7.458 1.00 2.36 C ATOM 147 CG ARG A 25 12.638 7.877 -8.718 1.00 2.54 C ATOM 148 CD ARG A 25 11.304 8.545 -8.371 1.00 3.68 C ATOM 149 NE ARG A 25 10.542 8.879 -9.586 1.00 4.03 N ATOM 150 CZ ARG A 25 9.938 8.022 -10.391 1.00 4.20 C ATOM 151 NH1 ARG A 25 9.861 6.750 -10.121 1.00 4.39 N ATOM 152 NH2 ARG A 25 9.388 8.404 -11.501 1.00 5.13 N ATOM 0 H ARG A 25 12.629 5.249 -7.308 1.00 1.99 H new ATOM 0 HA ARG A 25 14.813 6.441 -8.700 1.00 2.18 H new ATOM 0 HB2 ARG A 25 12.788 7.358 -6.623 1.00 2.36 H new ATOM 0 HB3 ARG A 25 14.055 8.433 -7.180 1.00 2.36 H new ATOM 0 HG2 ARG A 25 13.213 8.530 -9.374 1.00 2.54 H new ATOM 0 HG3 ARG A 25 12.452 6.955 -9.269 1.00 2.54 H new ATOM 0 HD2 ARG A 25 10.714 7.879 -7.741 1.00 3.68 H new ATOM 0 HD3 ARG A 25 11.488 9.451 -7.794 1.00 3.68 H new ATOM 0 HE ARG A 25 10.474 9.867 -9.830 1.00 4.03 H new ATOM 0 HH11 ARG A 25 10.275 6.385 -9.263 1.00 4.39 H new ATOM 0 HH12 ARG A 25 9.386 6.119 -10.767 1.00 4.39 H new ATOM 0 HH21 ARG A 25 9.415 9.387 -11.772 1.00 5.13 H new ATOM 0 HH22 ARG A 25 8.928 7.721 -12.104 1.00 5.13 H new ATOM 166 N CYS A 26 15.406 5.762 -5.545 1.00 1.74 N ATOM 167 CA CYS A 26 16.531 5.471 -4.649 1.00 1.53 C ATOM 168 C CYS A 26 17.547 4.524 -5.308 1.00 1.49 C ATOM 169 O CYS A 26 18.749 4.760 -5.281 1.00 1.55 O ATOM 170 CB CYS A 26 16.022 4.881 -3.322 1.00 1.28 C ATOM 171 SG CYS A 26 17.367 4.220 -2.296 1.00 1.07 S ATOM 0 H CYS A 26 14.498 5.488 -5.168 1.00 1.74 H new ATOM 0 HA CYS A 26 17.043 6.411 -4.441 1.00 1.53 H new ATOM 0 HB2 CYS A 26 15.490 5.652 -2.765 1.00 1.28 H new ATOM 0 HB3 CYS A 26 15.305 4.087 -3.532 1.00 1.28 H new ATOM 176 N LEU A 27 17.074 3.453 -5.932 1.00 1.48 N ATOM 177 CA LEU A 27 17.905 2.432 -6.570 1.00 1.59 C ATOM 178 C LEU A 27 18.701 2.974 -7.765 1.00 1.93 C ATOM 179 O LEU A 27 19.896 2.700 -7.899 1.00 2.09 O ATOM 180 CB LEU A 27 16.947 1.293 -6.932 1.00 1.66 C ATOM 181 CG LEU A 27 16.783 0.270 -5.797 1.00 1.46 C ATOM 182 CD1 LEU A 27 16.871 0.745 -4.343 1.00 1.02 C ATOM 183 CD2 LEU A 27 15.455 -0.473 -5.932 1.00 1.66 C ATOM 0 H LEU A 27 16.075 3.262 -6.012 1.00 1.48 H new ATOM 0 HA LEU A 27 18.687 2.076 -5.899 1.00 1.59 H new ATOM 0 HB2 LEU A 27 15.972 1.710 -7.183 1.00 1.66 H new ATOM 0 HB3 LEU A 27 17.315 0.784 -7.823 1.00 1.66 H new ATOM 0 HG LEU A 27 17.670 -0.345 -5.950 1.00 1.46 H new ATOM 0 HD11 LEU A 27 16.733 -0.104 -3.674 1.00 1.02 H new ATOM 0 HD12 LEU A 27 17.849 1.192 -4.165 1.00 1.02 H new ATOM 0 HD13 LEU A 27 16.094 1.485 -4.154 1.00 1.02 H new ATOM 0 HD21 LEU A 27 15.357 -1.193 -5.120 1.00 1.66 H new ATOM 0 HD22 LEU A 27 14.632 0.241 -5.886 1.00 1.66 H new ATOM 0 HD23 LEU A 27 15.427 -0.998 -6.887 1.00 1.66 H new ATOM 195 N ASP A 28 18.066 3.814 -8.570 1.00 2.08 N ATOM 196 CA ASP A 28 18.704 4.639 -9.610 1.00 2.41 C ATOM 197 C ASP A 28 19.713 5.665 -9.033 1.00 2.40 C ATOM 198 O ASP A 28 20.759 5.917 -9.636 1.00 2.61 O ATOM 199 CB ASP A 28 17.609 5.322 -10.442 1.00 2.66 C ATOM 200 CG ASP A 28 18.156 5.948 -11.726 1.00 2.95 C ATOM 201 OD1 ASP A 28 18.477 5.188 -12.674 1.00 2.69 O ATOM 202 OD2 ASP A 28 18.218 7.199 -11.811 1.00 4.13 O ATOM 0 H ASP A 28 17.056 3.951 -8.523 1.00 2.08 H new ATOM 0 HA ASP A 28 19.296 3.986 -10.251 1.00 2.41 H new ATOM 0 HB2 ASP A 28 16.841 4.591 -10.696 1.00 2.66 H new ATOM 0 HB3 ASP A 28 17.128 6.094 -9.841 1.00 2.66 H new ATOM 207 N GLU A 29 19.473 6.209 -7.833 1.00 2.18 N ATOM 208 CA GLU A 29 20.443 7.014 -7.077 1.00 2.14 C ATOM 209 C GLU A 29 21.685 6.243 -6.589 1.00 1.98 C ATOM 210 O GLU A 29 22.771 6.829 -6.575 1.00 2.22 O ATOM 211 CB GLU A 29 19.743 7.639 -5.854 1.00 2.06 C ATOM 212 CG GLU A 29 19.552 9.151 -5.975 1.00 2.37 C ATOM 213 CD GLU A 29 20.865 9.923 -5.796 1.00 2.27 C ATOM 214 OE1 GLU A 29 21.538 9.768 -4.750 1.00 3.00 O ATOM 215 OE2 GLU A 29 21.264 10.673 -6.721 1.00 2.61 O ATOM 0 H GLU A 29 18.581 6.100 -7.350 1.00 2.18 H new ATOM 0 HA GLU A 29 20.805 7.768 -7.776 1.00 2.14 H new ATOM 0 HB2 GLU A 29 18.770 7.166 -5.720 1.00 2.06 H new ATOM 0 HB3 GLU A 29 20.328 7.424 -4.960 1.00 2.06 H new ATOM 0 HG2 GLU A 29 19.127 9.384 -6.952 1.00 2.37 H new ATOM 0 HG3 GLU A 29 18.833 9.485 -5.227 1.00 2.37 H new ATOM 222 N ASN A 30 21.546 4.990 -6.141 1.00 1.67 N ATOM 223 CA ASN A 30 22.601 4.207 -5.493 1.00 1.57 C ATOM 224 C ASN A 30 22.677 2.739 -5.984 1.00 1.72 C ATOM 225 O ASN A 30 22.249 1.831 -5.273 1.00 1.84 O ATOM 226 CB ASN A 30 22.441 4.325 -3.955 1.00 1.38 C ATOM 227 CG ASN A 30 21.026 4.183 -3.406 1.00 1.25 C ATOM 228 OD1 ASN A 30 20.503 5.070 -2.740 1.00 1.29 O ATOM 229 ND2 ASN A 30 20.385 3.064 -3.654 1.00 1.24 N ATOM 0 H ASN A 30 20.668 4.478 -6.223 1.00 1.67 H new ATOM 0 HA ASN A 30 23.565 4.626 -5.782 1.00 1.57 H new ATOM 0 HB2 ASN A 30 23.066 3.564 -3.487 1.00 1.38 H new ATOM 0 HB3 ASN A 30 22.832 5.294 -3.645 1.00 1.38 H new ATOM 0 HD21 ASN A 30 19.442 2.925 -3.291 1.00 1.24 H new ATOM 0 HD22 ASN A 30 20.830 2.333 -4.209 1.00 1.24 H new ATOM 236 N ASN A 31 23.245 2.485 -7.171 1.00 1.88 N ATOM 237 CA ASN A 31 23.731 1.162 -7.634 1.00 2.08 C ATOM 238 C ASN A 31 22.734 -0.025 -7.509 1.00 2.33 C ATOM 239 O ASN A 31 23.143 -1.184 -7.371 1.00 2.71 O ATOM 240 CB ASN A 31 25.102 0.874 -6.982 1.00 2.04 C ATOM 241 CG ASN A 31 26.222 1.733 -7.534 1.00 3.02 C ATOM 242 OD1 ASN A 31 26.825 1.420 -8.552 1.00 3.48 O ATOM 243 ND2 ASN A 31 26.552 2.834 -6.907 1.00 4.11 N ATOM 0 H ASN A 31 23.387 3.217 -7.867 1.00 1.88 H new ATOM 0 HA ASN A 31 23.839 1.239 -8.716 1.00 2.08 H new ATOM 0 HB2 ASN A 31 25.026 1.036 -5.907 1.00 2.04 H new ATOM 0 HB3 ASN A 31 25.353 -0.176 -7.129 1.00 2.04 H new ATOM 0 HD21 ASN A 31 27.304 3.421 -7.268 1.00 4.11 H new ATOM 0 HD22 ASN A 31 26.057 3.105 -6.058 1.00 4.11 H new ATOM 250 N TYR A 32 21.428 0.259 -7.536 1.00 2.24 N ATOM 251 CA TYR A 32 20.332 -0.677 -7.254 1.00 2.35 C ATOM 252 C TYR A 32 20.449 -1.387 -5.881 1.00 2.18 C ATOM 253 O TYR A 32 20.156 -2.575 -5.738 1.00 2.57 O ATOM 254 CB TYR A 32 20.055 -1.580 -8.475 1.00 3.00 C ATOM 255 CG TYR A 32 18.583 -1.728 -8.841 1.00 3.41 C ATOM 256 CD1 TYR A 32 17.693 -2.403 -7.982 1.00 2.94 C ATOM 257 CD2 TYR A 32 18.094 -1.180 -10.048 1.00 4.96 C ATOM 258 CE1 TYR A 32 16.340 -2.554 -8.340 1.00 3.37 C ATOM 259 CE2 TYR A 32 16.735 -1.321 -10.402 1.00 5.40 C ATOM 260 CZ TYR A 32 15.850 -2.016 -9.550 1.00 4.34 C ATOM 261 OH TYR A 32 14.530 -2.150 -9.871 1.00 4.85 O ATOM 0 H TYR A 32 21.089 1.193 -7.766 1.00 2.24 H new ATOM 0 HA TYR A 32 19.418 -0.100 -7.116 1.00 2.35 H new ATOM 0 HB2 TYR A 32 20.590 -1.178 -9.335 1.00 3.00 H new ATOM 0 HB3 TYR A 32 20.467 -2.570 -8.278 1.00 3.00 H new ATOM 0 HD1 TYR A 32 18.050 -2.806 -7.046 1.00 2.94 H new ATOM 0 HD2 TYR A 32 18.766 -0.649 -10.706 1.00 4.96 H new ATOM 0 HE1 TYR A 32 15.670 -3.087 -7.682 1.00 3.37 H new ATOM 0 HE2 TYR A 32 16.372 -0.896 -11.326 1.00 5.40 H new ATOM 0 HH TYR A 32 14.359 -1.722 -10.736 1.00 4.85 H new ATOM 271 N ASP A 33 20.879 -0.650 -4.848 1.00 1.72 N ATOM 272 CA ASP A 33 21.075 -1.088 -3.456 1.00 1.73 C ATOM 273 C ASP A 33 19.733 -1.241 -2.709 1.00 1.53 C ATOM 274 O ASP A 33 19.341 -0.503 -1.792 1.00 1.34 O ATOM 275 CB ASP A 33 22.098 -0.188 -2.743 1.00 1.70 C ATOM 276 CG ASP A 33 22.735 -0.841 -1.510 1.00 2.05 C ATOM 277 OD1 ASP A 33 22.110 -1.712 -0.857 1.00 3.00 O ATOM 278 OD2 ASP A 33 23.901 -0.487 -1.206 1.00 2.61 O ATOM 0 H ASP A 33 21.116 0.335 -4.969 1.00 1.72 H new ATOM 0 HA ASP A 33 21.506 -2.089 -3.459 1.00 1.73 H new ATOM 0 HB2 ASP A 33 22.884 0.083 -3.447 1.00 1.70 H new ATOM 0 HB3 ASP A 33 21.607 0.737 -2.441 1.00 1.70 H new ATOM 283 N ARG A 34 19.018 -2.267 -3.165 1.00 1.68 N ATOM 284 CA ARG A 34 17.753 -2.776 -2.622 1.00 1.63 C ATOM 285 C ARG A 34 17.787 -3.122 -1.128 1.00 1.68 C ATOM 286 O ARG A 34 16.724 -3.271 -0.536 1.00 1.61 O ATOM 287 CB ARG A 34 17.276 -3.971 -3.467 1.00 1.83 C ATOM 288 CG ARG A 34 18.220 -5.187 -3.482 1.00 2.39 C ATOM 289 CD ARG A 34 17.462 -6.501 -3.730 1.00 2.73 C ATOM 290 NE ARG A 34 16.680 -6.499 -4.984 1.00 4.06 N ATOM 291 CZ ARG A 34 16.961 -7.162 -6.094 1.00 5.11 C ATOM 292 NH1 ARG A 34 18.070 -7.820 -6.251 1.00 5.31 N ATOM 293 NH2 ARG A 34 16.130 -7.176 -7.092 1.00 6.63 N ATOM 0 H ARG A 34 19.324 -2.803 -3.977 1.00 1.68 H new ATOM 0 HA ARG A 34 17.036 -1.958 -2.691 1.00 1.63 H new ATOM 0 HB2 ARG A 34 16.303 -4.292 -3.095 1.00 1.83 H new ATOM 0 HB3 ARG A 34 17.129 -3.633 -4.493 1.00 1.83 H new ATOM 0 HG2 ARG A 34 18.974 -5.051 -4.258 1.00 2.39 H new ATOM 0 HG3 ARG A 34 18.749 -5.247 -2.531 1.00 2.39 H new ATOM 0 HD2 ARG A 34 18.176 -7.324 -3.757 1.00 2.73 H new ATOM 0 HD3 ARG A 34 16.791 -6.688 -2.892 1.00 2.73 H new ATOM 0 HE ARG A 34 15.836 -5.927 -4.995 1.00 4.06 H new ATOM 0 HH11 ARG A 34 18.763 -7.838 -5.502 1.00 5.31 H new ATOM 0 HH12 ARG A 34 18.248 -8.318 -7.123 1.00 5.31 H new ATOM 0 HH21 ARG A 34 15.246 -6.671 -7.027 1.00 6.63 H new ATOM 0 HH22 ARG A 34 16.361 -7.692 -7.941 1.00 6.63 H new ATOM 307 N GLU A 35 18.964 -3.213 -0.509 1.00 1.86 N ATOM 308 CA GLU A 35 19.140 -3.396 0.939 1.00 2.00 C ATOM 309 C GLU A 35 19.274 -2.063 1.697 1.00 1.89 C ATOM 310 O GLU A 35 18.743 -1.937 2.806 1.00 1.91 O ATOM 311 CB GLU A 35 20.337 -4.310 1.195 1.00 2.41 C ATOM 312 CG GLU A 35 20.056 -5.745 0.730 1.00 2.60 C ATOM 313 CD GLU A 35 21.350 -6.549 0.711 1.00 3.31 C ATOM 314 OE1 GLU A 35 22.200 -6.287 -0.172 1.00 4.30 O ATOM 315 OE2 GLU A 35 21.550 -7.418 1.597 1.00 3.48 O ATOM 0 H GLU A 35 19.850 -3.160 -1.012 1.00 1.86 H new ATOM 0 HA GLU A 35 18.238 -3.867 1.329 1.00 2.00 H new ATOM 0 HB2 GLU A 35 21.211 -3.922 0.673 1.00 2.41 H new ATOM 0 HB3 GLU A 35 20.575 -4.311 2.259 1.00 2.41 H new ATOM 0 HG2 GLU A 35 19.334 -6.217 1.397 1.00 2.60 H new ATOM 0 HG3 GLU A 35 19.611 -5.733 -0.265 1.00 2.60 H new ATOM 322 N ARG A 36 19.887 -1.028 1.100 1.00 1.84 N ATOM 323 CA ARG A 36 19.825 0.357 1.618 1.00 1.77 C ATOM 324 C ARG A 36 18.428 0.964 1.520 1.00 1.44 C ATOM 325 O ARG A 36 18.055 1.739 2.403 1.00 1.56 O ATOM 326 CB ARG A 36 20.850 1.255 0.921 1.00 1.85 C ATOM 327 CG ARG A 36 22.221 1.053 1.574 1.00 2.20 C ATOM 328 CD ARG A 36 23.215 2.085 1.057 1.00 3.01 C ATOM 329 NE ARG A 36 24.445 2.072 1.861 1.00 3.12 N ATOM 330 CZ ARG A 36 25.409 1.175 1.846 1.00 3.82 C ATOM 331 NH1 ARG A 36 25.464 0.173 1.020 1.00 4.84 N ATOM 332 NH2 ARG A 36 26.363 1.270 2.717 1.00 4.00 N ATOM 0 H ARG A 36 20.439 -1.122 0.247 1.00 1.84 H new ATOM 0 HA ARG A 36 20.073 0.298 2.678 1.00 1.77 H new ATOM 0 HB2 ARG A 36 20.900 1.014 -0.141 1.00 1.85 H new ATOM 0 HB3 ARG A 36 20.548 2.300 0.997 1.00 1.85 H new ATOM 0 HG2 ARG A 36 22.131 1.137 2.657 1.00 2.20 H new ATOM 0 HG3 ARG A 36 22.587 0.048 1.362 1.00 2.20 H new ATOM 0 HD2 ARG A 36 23.454 1.876 0.014 1.00 3.01 H new ATOM 0 HD3 ARG A 36 22.765 3.077 1.088 1.00 3.01 H new ATOM 0 HE ARG A 36 24.567 2.851 2.508 1.00 3.12 H new ATOM 0 HH11 ARG A 36 24.728 0.044 0.325 1.00 4.84 H new ATOM 0 HH12 ARG A 36 26.243 -0.484 1.066 1.00 4.84 H new ATOM 0 HH21 ARG A 36 26.358 2.030 3.398 1.00 4.00 H new ATOM 0 HH22 ARG A 36 27.119 0.585 2.722 1.00 4.00 H new ATOM 346 N CYS A 37 17.647 0.573 0.509 1.00 1.17 N ATOM 347 CA CYS A 37 16.233 0.967 0.381 1.00 0.90 C ATOM 348 C CYS A 37 15.208 -0.173 0.592 1.00 0.93 C ATOM 349 O CYS A 37 14.049 -0.050 0.189 1.00 0.72 O ATOM 350 CB CYS A 37 16.050 1.821 -0.884 1.00 0.67 C ATOM 351 SG CYS A 37 16.529 3.545 -0.577 1.00 0.94 S ATOM 0 H CYS A 37 17.974 -0.027 -0.248 1.00 1.17 H new ATOM 0 HA CYS A 37 15.981 1.602 1.230 1.00 0.90 H new ATOM 0 HB2 CYS A 37 16.652 1.411 -1.695 1.00 0.67 H new ATOM 0 HB3 CYS A 37 15.010 1.780 -1.208 1.00 0.67 H new ATOM 356 N SER A 38 15.576 -1.245 1.305 1.00 1.33 N ATOM 357 CA SER A 38 14.650 -2.300 1.777 1.00 1.47 C ATOM 358 C SER A 38 13.538 -1.738 2.677 1.00 1.49 C ATOM 359 O SER A 38 12.437 -2.285 2.717 1.00 1.45 O ATOM 360 CB SER A 38 15.437 -3.374 2.546 1.00 1.89 C ATOM 361 OG SER A 38 14.668 -4.545 2.754 1.00 3.07 O ATOM 0 H SER A 38 16.544 -1.413 1.579 1.00 1.33 H new ATOM 0 HA SER A 38 14.176 -2.735 0.897 1.00 1.47 H new ATOM 0 HB2 SER A 38 16.341 -3.627 1.993 1.00 1.89 H new ATOM 0 HB3 SER A 38 15.754 -2.972 3.508 1.00 1.89 H new ATOM 0 HG SER A 38 15.202 -5.204 3.244 1.00 3.07 H new ATOM 367 N THR A 39 13.769 -0.602 3.344 1.00 1.61 N ATOM 368 CA THR A 39 12.752 0.076 4.166 1.00 1.84 C ATOM 369 C THR A 39 11.544 0.562 3.347 1.00 1.49 C ATOM 370 O THR A 39 10.418 0.531 3.833 1.00 1.51 O ATOM 371 CB THR A 39 13.396 1.194 5.003 1.00 2.33 C ATOM 372 OG1 THR A 39 12.707 1.323 6.222 1.00 3.66 O ATOM 373 CG2 THR A 39 13.445 2.572 4.343 1.00 1.80 C ATOM 0 H THR A 39 14.669 -0.122 3.331 1.00 1.61 H new ATOM 0 HA THR A 39 12.342 -0.661 4.857 1.00 1.84 H new ATOM 0 HB THR A 39 14.432 0.880 5.132 1.00 2.33 H new ATOM 0 HG1 THR A 39 13.118 2.034 6.756 1.00 3.66 H new ATOM 0 HG21 THR A 39 13.918 3.283 5.020 1.00 1.80 H new ATOM 0 HG22 THR A 39 14.020 2.513 3.419 1.00 1.80 H new ATOM 0 HG23 THR A 39 12.431 2.904 4.119 1.00 1.80 H new ATOM 381 N TYR A 40 11.736 0.914 2.070 1.00 1.22 N ATOM 382 CA TYR A 40 10.633 1.246 1.148 1.00 1.05 C ATOM 383 C TYR A 40 9.794 -0.001 0.839 1.00 0.85 C ATOM 384 O TYR A 40 8.567 0.044 0.859 1.00 0.92 O ATOM 385 CB TYR A 40 11.160 1.813 -0.182 1.00 0.89 C ATOM 386 CG TYR A 40 11.795 3.193 -0.161 1.00 1.03 C ATOM 387 CD1 TYR A 40 12.955 3.441 0.597 1.00 2.52 C ATOM 388 CD2 TYR A 40 11.271 4.210 -0.982 1.00 1.69 C ATOM 389 CE1 TYR A 40 13.573 4.705 0.555 1.00 2.63 C ATOM 390 CE2 TYR A 40 11.917 5.458 -1.074 1.00 1.74 C ATOM 391 CZ TYR A 40 13.070 5.709 -0.299 1.00 1.33 C ATOM 392 OH TYR A 40 13.722 6.900 -0.385 1.00 1.50 O ATOM 0 H TYR A 40 12.660 0.978 1.642 1.00 1.22 H new ATOM 0 HA TYR A 40 10.021 2.000 1.644 1.00 1.05 H new ATOM 0 HB2 TYR A 40 11.895 1.112 -0.577 1.00 0.89 H new ATOM 0 HB3 TYR A 40 10.330 1.837 -0.888 1.00 0.89 H new ATOM 0 HD1 TYR A 40 13.372 2.658 1.213 1.00 2.52 H new ATOM 0 HD2 TYR A 40 10.367 4.032 -1.545 1.00 1.69 H new ATOM 0 HE1 TYR A 40 14.433 4.906 1.177 1.00 2.63 H new ATOM 0 HE2 TYR A 40 11.532 6.220 -1.735 1.00 1.74 H new ATOM 0 HH TYR A 40 13.252 7.485 -1.015 1.00 1.50 H new ATOM 402 N PHE A 41 10.460 -1.137 0.617 1.00 0.70 N ATOM 403 CA PHE A 41 9.802 -2.429 0.399 1.00 0.66 C ATOM 404 C PHE A 41 9.065 -2.930 1.664 1.00 0.89 C ATOM 405 O PHE A 41 7.984 -3.512 1.573 1.00 0.89 O ATOM 406 CB PHE A 41 10.848 -3.418 -0.133 1.00 0.80 C ATOM 407 CG PHE A 41 10.318 -4.806 -0.426 1.00 1.84 C ATOM 408 CD1 PHE A 41 9.226 -4.983 -1.297 1.00 3.22 C ATOM 409 CD2 PHE A 41 10.928 -5.926 0.168 1.00 2.73 C ATOM 410 CE1 PHE A 41 8.728 -6.272 -1.551 1.00 4.39 C ATOM 411 CE2 PHE A 41 10.435 -7.217 -0.090 1.00 3.93 C ATOM 412 CZ PHE A 41 9.330 -7.385 -0.942 1.00 4.50 C ATOM 0 H PHE A 41 11.478 -1.187 0.583 1.00 0.70 H new ATOM 0 HA PHE A 41 9.014 -2.324 -0.347 1.00 0.66 H new ATOM 0 HB2 PHE A 41 11.282 -3.010 -1.046 1.00 0.80 H new ATOM 0 HB3 PHE A 41 11.655 -3.499 0.595 1.00 0.80 H new ATOM 0 HD1 PHE A 41 8.770 -4.126 -1.771 1.00 3.22 H new ATOM 0 HD2 PHE A 41 11.776 -5.794 0.823 1.00 2.73 H new ATOM 0 HE1 PHE A 41 7.885 -6.406 -2.212 1.00 4.39 H new ATOM 0 HE2 PHE A 41 10.904 -8.077 0.365 1.00 3.93 H new ATOM 0 HZ PHE A 41 8.942 -8.375 -1.129 1.00 4.50 H new ATOM 422 N LEU A 42 9.563 -2.585 2.856 1.00 1.11 N ATOM 423 CA LEU A 42 8.830 -2.749 4.115 1.00 1.33 C ATOM 424 C LEU A 42 7.583 -1.863 4.155 1.00 1.32 C ATOM 425 O LEU A 42 6.499 -2.368 4.441 1.00 1.36 O ATOM 426 CB LEU A 42 9.798 -2.529 5.297 1.00 1.63 C ATOM 427 CG LEU A 42 9.172 -2.205 6.669 1.00 1.87 C ATOM 428 CD1 LEU A 42 8.255 -3.305 7.199 1.00 1.89 C ATOM 429 CD2 LEU A 42 10.288 -1.981 7.690 1.00 2.19 C ATOM 0 H LEU A 42 10.492 -2.181 2.975 1.00 1.11 H new ATOM 0 HA LEU A 42 8.449 -3.767 4.197 1.00 1.33 H new ATOM 0 HB2 LEU A 42 10.407 -3.426 5.407 1.00 1.63 H new ATOM 0 HB3 LEU A 42 10.474 -1.716 5.033 1.00 1.63 H new ATOM 0 HG LEU A 42 8.563 -1.313 6.526 1.00 1.87 H new ATOM 0 HD11 LEU A 42 7.851 -3.007 8.167 1.00 1.89 H new ATOM 0 HD12 LEU A 42 7.436 -3.465 6.498 1.00 1.89 H new ATOM 0 HD13 LEU A 42 8.822 -4.229 7.311 1.00 1.89 H new ATOM 0 HD21 LEU A 42 9.851 -1.752 8.662 1.00 2.19 H new ATOM 0 HD22 LEU A 42 10.895 -2.883 7.769 1.00 2.19 H new ATOM 0 HD23 LEU A 42 10.914 -1.149 7.368 1.00 2.19 H new ATOM 441 N ARG A 43 7.672 -0.582 3.775 1.00 1.32 N ATOM 442 CA ARG A 43 6.475 0.270 3.637 1.00 1.39 C ATOM 443 C ARG A 43 5.495 -0.267 2.595 1.00 1.32 C ATOM 444 O ARG A 43 4.294 -0.188 2.818 1.00 1.51 O ATOM 445 CB ARG A 43 6.850 1.744 3.424 1.00 1.45 C ATOM 446 CG ARG A 43 7.548 2.268 4.689 1.00 1.78 C ATOM 447 CD ARG A 43 7.693 3.795 4.753 1.00 1.93 C ATOM 448 NE ARG A 43 8.341 4.402 3.570 1.00 2.31 N ATOM 449 CZ ARG A 43 9.526 4.988 3.523 1.00 3.46 C ATOM 450 NH1 ARG A 43 10.423 4.868 4.461 1.00 4.40 N ATOM 451 NH2 ARG A 43 9.838 5.746 2.515 1.00 4.44 N ATOM 0 H ARG A 43 8.551 -0.112 3.558 1.00 1.32 H new ATOM 0 HA ARG A 43 5.936 0.230 4.584 1.00 1.39 H new ATOM 0 HB2 ARG A 43 7.508 1.845 2.561 1.00 1.45 H new ATOM 0 HB3 ARG A 43 5.957 2.334 3.214 1.00 1.45 H new ATOM 0 HG2 ARG A 43 6.989 1.932 5.562 1.00 1.78 H new ATOM 0 HG3 ARG A 43 8.539 1.819 4.754 1.00 1.78 H new ATOM 0 HD2 ARG A 43 6.704 4.236 4.875 1.00 1.93 H new ATOM 0 HD3 ARG A 43 8.270 4.055 5.640 1.00 1.93 H new ATOM 0 HE ARG A 43 7.817 4.365 2.696 1.00 2.31 H new ATOM 0 HH11 ARG A 43 10.227 4.299 5.284 1.00 4.40 H new ATOM 0 HH12 ARG A 43 11.321 5.343 4.372 1.00 4.40 H new ATOM 0 HH21 ARG A 43 9.169 5.890 1.759 1.00 4.44 H new ATOM 0 HH22 ARG A 43 10.752 6.197 2.480 1.00 4.44 H new ATOM 465 N TYR A 44 5.975 -0.955 1.562 1.00 1.12 N ATOM 466 CA TYR A 44 5.121 -1.665 0.593 1.00 1.10 C ATOM 467 C TYR A 44 4.371 -2.842 1.245 1.00 1.14 C ATOM 468 O TYR A 44 3.153 -2.964 1.075 1.00 1.22 O ATOM 469 CB TYR A 44 5.944 -2.064 -0.646 1.00 1.01 C ATOM 470 CG TYR A 44 5.310 -3.045 -1.618 1.00 1.15 C ATOM 471 CD1 TYR A 44 5.317 -4.429 -1.344 1.00 2.70 C ATOM 472 CD2 TYR A 44 4.815 -2.584 -2.851 1.00 1.61 C ATOM 473 CE1 TYR A 44 4.799 -5.338 -2.289 1.00 2.83 C ATOM 474 CE2 TYR A 44 4.314 -3.489 -3.805 1.00 1.66 C ATOM 475 CZ TYR A 44 4.299 -4.872 -3.522 1.00 1.50 C ATOM 476 OH TYR A 44 3.811 -5.756 -4.429 1.00 1.70 O ATOM 0 H TYR A 44 6.972 -1.041 1.366 1.00 1.12 H new ATOM 0 HA TYR A 44 4.338 -0.989 0.248 1.00 1.10 H new ATOM 0 HB2 TYR A 44 6.188 -1.155 -1.196 1.00 1.01 H new ATOM 0 HB3 TYR A 44 6.886 -2.491 -0.302 1.00 1.01 H new ATOM 0 HD1 TYR A 44 5.719 -4.792 -0.410 1.00 2.70 H new ATOM 0 HD2 TYR A 44 4.819 -1.526 -3.068 1.00 1.61 H new ATOM 0 HE1 TYR A 44 4.785 -6.395 -2.068 1.00 2.83 H new ATOM 0 HE2 TYR A 44 3.942 -3.126 -4.752 1.00 1.66 H new ATOM 0 HH TYR A 44 3.505 -5.273 -5.225 1.00 1.70 H new ATOM 486 N LYS A 45 5.042 -3.653 2.077 1.00 1.12 N ATOM 487 CA LYS A 45 4.374 -4.682 2.901 1.00 1.18 C ATOM 488 C LYS A 45 3.443 -4.076 3.972 1.00 1.33 C ATOM 489 O LYS A 45 2.416 -4.684 4.283 1.00 1.49 O ATOM 490 CB LYS A 45 5.402 -5.670 3.492 1.00 1.27 C ATOM 491 CG LYS A 45 6.068 -6.535 2.401 1.00 1.90 C ATOM 492 CD LYS A 45 6.897 -7.691 2.988 1.00 2.06 C ATOM 493 CE LYS A 45 7.589 -8.483 1.868 1.00 3.45 C ATOM 494 NZ LYS A 45 8.486 -9.553 2.379 1.00 3.71 N ATOM 0 H LYS A 45 6.054 -3.618 2.200 1.00 1.12 H new ATOM 0 HA LYS A 45 3.720 -5.252 2.241 1.00 1.18 H new ATOM 0 HB2 LYS A 45 6.169 -5.115 4.032 1.00 1.27 H new ATOM 0 HB3 LYS A 45 4.907 -6.318 4.216 1.00 1.27 H new ATOM 0 HG2 LYS A 45 5.299 -6.941 1.744 1.00 1.90 H new ATOM 0 HG3 LYS A 45 6.712 -5.906 1.786 1.00 1.90 H new ATOM 0 HD2 LYS A 45 7.644 -7.297 3.677 1.00 2.06 H new ATOM 0 HD3 LYS A 45 6.251 -8.354 3.564 1.00 2.06 H new ATOM 0 HE2 LYS A 45 6.831 -8.929 1.225 1.00 3.45 H new ATOM 0 HE3 LYS A 45 8.168 -7.797 1.250 1.00 3.45 H new ATOM 0 HZ1 LYS A 45 8.923 -10.051 1.578 1.00 3.71 H new ATOM 0 HZ2 LYS A 45 9.229 -9.130 2.971 1.00 3.71 H new ATOM 0 HZ3 LYS A 45 7.934 -10.227 2.946 1.00 3.71 H new ATOM 508 N ASN A 46 3.708 -2.856 4.455 1.00 1.32 N ATOM 509 CA ASN A 46 2.813 -2.122 5.361 1.00 1.47 C ATOM 510 C ASN A 46 1.539 -1.635 4.637 1.00 1.50 C ATOM 511 O ASN A 46 0.450 -1.765 5.203 1.00 1.63 O ATOM 512 CB ASN A 46 3.541 -0.939 6.032 1.00 1.63 C ATOM 513 CG ASN A 46 4.780 -1.295 6.841 1.00 1.69 C ATOM 514 OD1 ASN A 46 4.933 -2.387 7.368 1.00 1.67 O ATOM 515 ND2 ASN A 46 5.673 -0.347 7.015 1.00 1.82 N ATOM 0 H ASN A 46 4.560 -2.344 4.226 1.00 1.32 H new ATOM 0 HA ASN A 46 2.507 -2.820 6.140 1.00 1.47 H new ATOM 0 HB2 ASN A 46 3.828 -0.228 5.258 1.00 1.63 H new ATOM 0 HB3 ASN A 46 2.836 -0.429 6.688 1.00 1.63 H new ATOM 0 HD21 ASN A 46 6.496 -0.522 7.591 1.00 1.82 H new ATOM 0 HD22 ASN A 46 5.543 0.563 6.574 1.00 1.82 H new ATOM 522 N CYS A 47 1.626 -1.154 3.384 1.00 1.44 N ATOM 523 CA CYS A 47 0.453 -0.884 2.546 1.00 1.55 C ATOM 524 C CYS A 47 -0.418 -2.136 2.420 1.00 1.67 C ATOM 525 O CYS A 47 -1.638 -2.091 2.590 1.00 1.93 O ATOM 526 CB CYS A 47 0.877 -0.491 1.122 1.00 1.51 C ATOM 527 SG CYS A 47 2.149 0.769 0.940 1.00 2.15 S ATOM 0 H CYS A 47 2.513 -0.943 2.927 1.00 1.44 H new ATOM 0 HA CYS A 47 -0.098 -0.072 3.022 1.00 1.55 H new ATOM 0 HB2 CYS A 47 1.224 -1.392 0.616 1.00 1.51 H new ATOM 0 HB3 CYS A 47 -0.011 -0.149 0.591 1.00 1.51 H new ATOM 532 N ARG A 48 0.236 -3.271 2.149 1.00 1.50 N ATOM 533 CA ARG A 48 -0.424 -4.556 1.910 1.00 1.44 C ATOM 534 C ARG A 48 -1.191 -5.028 3.142 1.00 1.36 C ATOM 535 O ARG A 48 -2.347 -5.415 3.004 1.00 1.31 O ATOM 536 CB ARG A 48 0.576 -5.566 1.376 1.00 1.50 C ATOM 537 CG ARG A 48 0.793 -5.158 -0.083 1.00 1.18 C ATOM 538 CD ARG A 48 1.930 -5.887 -0.739 1.00 2.04 C ATOM 539 NE ARG A 48 1.728 -7.339 -0.932 1.00 2.22 N ATOM 540 CZ ARG A 48 1.200 -7.919 -1.999 1.00 2.88 C ATOM 541 NH1 ARG A 48 0.451 -7.276 -2.849 1.00 3.41 N ATOM 542 NH2 ARG A 48 1.425 -9.178 -2.230 1.00 3.64 N ATOM 0 H ARG A 48 1.253 -3.322 2.089 1.00 1.50 H new ATOM 0 HA ARG A 48 -1.182 -4.435 1.137 1.00 1.44 H new ATOM 0 HB2 ARG A 48 1.509 -5.536 1.939 1.00 1.50 H new ATOM 0 HB3 ARG A 48 0.191 -6.583 1.450 1.00 1.50 H new ATOM 0 HG2 ARG A 48 -0.122 -5.344 -0.645 1.00 1.18 H new ATOM 0 HG3 ARG A 48 0.983 -4.086 -0.129 1.00 1.18 H new ATOM 0 HD2 ARG A 48 2.118 -5.432 -1.711 1.00 2.04 H new ATOM 0 HD3 ARG A 48 2.828 -5.739 -0.139 1.00 2.04 H new ATOM 0 HE ARG A 48 2.023 -7.952 -0.172 1.00 2.22 H new ATOM 0 HH11 ARG A 48 0.251 -6.286 -2.706 1.00 3.41 H new ATOM 0 HH12 ARG A 48 0.065 -7.762 -3.658 1.00 3.41 H new ATOM 0 HH21 ARG A 48 2.007 -9.718 -1.590 1.00 3.64 H new ATOM 0 HH22 ARG A 48 1.019 -9.626 -3.051 1.00 3.64 H new ATOM 556 N ARG A 49 -0.616 -4.885 4.346 1.00 1.37 N ATOM 557 CA ARG A 49 -1.293 -5.172 5.627 1.00 1.29 C ATOM 558 C ARG A 49 -2.516 -4.279 5.870 1.00 1.11 C ATOM 559 O ARG A 49 -3.568 -4.796 6.253 1.00 0.99 O ATOM 560 CB ARG A 49 -0.276 -5.100 6.782 1.00 1.41 C ATOM 561 CG ARG A 49 -0.936 -5.394 8.144 1.00 1.39 C ATOM 562 CD ARG A 49 0.074 -5.489 9.292 1.00 1.63 C ATOM 563 NE ARG A 49 0.917 -6.694 9.184 1.00 2.18 N ATOM 564 CZ ARG A 49 0.722 -7.868 9.761 1.00 3.56 C ATOM 565 NH1 ARG A 49 -0.300 -8.116 10.526 1.00 4.71 N ATOM 566 NH2 ARG A 49 1.562 -8.838 9.572 1.00 4.64 N ATOM 0 H ARG A 49 0.345 -4.563 4.462 1.00 1.37 H new ATOM 0 HA ARG A 49 -1.689 -6.186 5.577 1.00 1.29 H new ATOM 0 HB2 ARG A 49 0.527 -5.816 6.605 1.00 1.41 H new ATOM 0 HB3 ARG A 49 0.179 -4.110 6.805 1.00 1.41 H new ATOM 0 HG2 ARG A 49 -1.659 -4.610 8.368 1.00 1.39 H new ATOM 0 HG3 ARG A 49 -1.491 -6.330 8.078 1.00 1.39 H new ATOM 0 HD2 ARG A 49 0.707 -4.602 9.293 1.00 1.63 H new ATOM 0 HD3 ARG A 49 -0.458 -5.502 10.243 1.00 1.63 H new ATOM 0 HE ARG A 49 1.747 -6.613 8.596 1.00 2.18 H new ATOM 0 HH11 ARG A 49 -0.993 -7.389 10.702 1.00 4.71 H new ATOM 0 HH12 ARG A 49 -0.408 -9.038 10.950 1.00 4.71 H new ATOM 0 HH21 ARG A 49 2.378 -8.697 8.976 1.00 4.64 H new ATOM 0 HH22 ARG A 49 1.407 -9.741 10.019 1.00 4.64 H new ATOM 580 N PHE A 50 -2.426 -2.973 5.601 1.00 1.11 N ATOM 581 CA PHE A 50 -3.565 -2.051 5.736 1.00 0.94 C ATOM 582 C PHE A 50 -4.733 -2.483 4.851 1.00 0.83 C ATOM 583 O PHE A 50 -5.840 -2.750 5.319 1.00 0.70 O ATOM 584 CB PHE A 50 -3.151 -0.624 5.355 1.00 0.96 C ATOM 585 CG PHE A 50 -4.307 0.361 5.409 1.00 0.74 C ATOM 586 CD1 PHE A 50 -4.785 0.832 6.646 1.00 1.99 C ATOM 587 CD2 PHE A 50 -4.948 0.758 4.218 1.00 1.57 C ATOM 588 CE1 PHE A 50 -5.900 1.689 6.691 1.00 1.83 C ATOM 589 CE2 PHE A 50 -6.067 1.607 4.264 1.00 1.68 C ATOM 590 CZ PHE A 50 -6.545 2.071 5.501 1.00 0.50 C ATOM 0 H PHE A 50 -1.567 -2.524 5.285 1.00 1.11 H new ATOM 0 HA PHE A 50 -3.882 -2.075 6.779 1.00 0.94 H new ATOM 0 HB2 PHE A 50 -2.362 -0.288 6.028 1.00 0.96 H new ATOM 0 HB3 PHE A 50 -2.731 -0.629 4.349 1.00 0.96 H new ATOM 0 HD1 PHE A 50 -4.295 0.535 7.562 1.00 1.99 H new ATOM 0 HD2 PHE A 50 -4.577 0.408 3.266 1.00 1.57 H new ATOM 0 HE1 PHE A 50 -6.261 2.054 7.641 1.00 1.83 H new ATOM 0 HE2 PHE A 50 -6.559 1.903 3.349 1.00 1.68 H new ATOM 0 HZ PHE A 50 -7.407 2.721 5.538 1.00 0.50 H new ATOM 600 N TRP A 51 -4.457 -2.619 3.558 1.00 0.91 N ATOM 601 CA TRP A 51 -5.480 -3.001 2.591 1.00 0.86 C ATOM 602 C TRP A 51 -5.998 -4.440 2.810 1.00 0.87 C ATOM 603 O TRP A 51 -7.194 -4.660 2.647 1.00 0.73 O ATOM 604 CB TRP A 51 -4.980 -2.696 1.175 1.00 1.00 C ATOM 605 CG TRP A 51 -4.850 -1.226 0.854 1.00 1.01 C ATOM 606 CD1 TRP A 51 -3.696 -0.546 0.642 1.00 1.13 C ATOM 607 CD2 TRP A 51 -5.905 -0.206 0.765 1.00 0.94 C ATOM 608 NE1 TRP A 51 -3.967 0.762 0.313 1.00 1.16 N ATOM 609 CE2 TRP A 51 -5.306 1.046 0.420 1.00 1.05 C ATOM 610 CE3 TRP A 51 -7.303 -0.196 0.977 1.00 0.84 C ATOM 611 CZ2 TRP A 51 -6.045 2.229 0.273 1.00 1.09 C ATOM 612 CZ3 TRP A 51 -8.053 0.993 0.855 1.00 0.89 C ATOM 613 CH2 TRP A 51 -7.430 2.203 0.501 1.00 1.02 C ATOM 0 H TRP A 51 -3.532 -2.470 3.155 1.00 0.91 H new ATOM 0 HA TRP A 51 -6.373 -2.395 2.745 1.00 0.86 H new ATOM 0 HB2 TRP A 51 -4.009 -3.171 1.037 1.00 1.00 H new ATOM 0 HB3 TRP A 51 -5.662 -3.152 0.457 1.00 1.00 H new ATOM 0 HD1 TRP A 51 -2.706 -0.971 0.720 1.00 1.13 H new ATOM 0 HE1 TRP A 51 -3.260 1.438 0.025 1.00 1.16 H new ATOM 0 HE3 TRP A 51 -7.806 -1.116 1.237 1.00 0.84 H new ATOM 0 HZ2 TRP A 51 -5.555 3.148 -0.012 1.00 1.09 H new ATOM 0 HZ3 TRP A 51 -9.118 0.974 1.036 1.00 0.89 H new ATOM 0 HH2 TRP A 51 -8.013 3.107 0.405 1.00 1.02 H new ATOM 624 N ASN A 52 -5.189 -5.384 3.316 1.00 1.04 N ATOM 625 CA ASN A 52 -5.667 -6.684 3.805 1.00 1.10 C ATOM 626 C ASN A 52 -6.586 -6.563 5.032 1.00 1.01 C ATOM 627 O ASN A 52 -7.535 -7.332 5.173 1.00 1.03 O ATOM 628 CB ASN A 52 -4.469 -7.582 4.150 1.00 1.38 C ATOM 629 CG ASN A 52 -4.063 -8.455 2.986 1.00 1.73 C ATOM 630 OD1 ASN A 52 -4.470 -9.605 2.886 1.00 2.97 O ATOM 631 ND2 ASN A 52 -3.269 -7.935 2.088 1.00 1.43 N ATOM 0 H ASN A 52 -4.179 -5.265 3.397 1.00 1.04 H new ATOM 0 HA ASN A 52 -6.258 -7.125 3.002 1.00 1.10 H new ATOM 0 HB2 ASN A 52 -3.625 -6.961 4.449 1.00 1.38 H new ATOM 0 HB3 ASN A 52 -4.721 -8.211 5.004 1.00 1.38 H new ATOM 0 HD21 ASN A 52 -2.976 -8.490 1.284 1.00 1.43 H new ATOM 0 HD22 ASN A 52 -2.942 -6.974 2.191 1.00 1.43 H new ATOM 638 N SER A 53 -6.340 -5.587 5.906 1.00 0.95 N ATOM 639 CA SER A 53 -7.229 -5.297 7.035 1.00 0.93 C ATOM 640 C SER A 53 -8.583 -4.782 6.536 1.00 0.74 C ATOM 641 O SER A 53 -9.616 -5.264 6.989 1.00 0.78 O ATOM 642 CB SER A 53 -6.591 -4.310 8.019 1.00 0.97 C ATOM 643 OG SER A 53 -5.280 -4.722 8.362 1.00 1.28 O ATOM 0 H SER A 53 -5.524 -4.977 5.854 1.00 0.95 H new ATOM 0 HA SER A 53 -7.395 -6.229 7.576 1.00 0.93 H new ATOM 0 HB2 SER A 53 -6.560 -3.315 7.575 1.00 0.97 H new ATOM 0 HB3 SER A 53 -7.202 -4.239 8.919 1.00 0.97 H new ATOM 0 HG SER A 53 -4.692 -4.621 7.585 1.00 1.28 H new ATOM 649 N ILE A 54 -8.606 -3.894 5.532 1.00 0.58 N ATOM 650 CA ILE A 54 -9.854 -3.449 4.883 1.00 0.44 C ATOM 651 C ILE A 54 -10.587 -4.629 4.221 1.00 0.43 C ATOM 652 O ILE A 54 -11.797 -4.785 4.396 1.00 0.45 O ATOM 653 CB ILE A 54 -9.551 -2.310 3.881 1.00 0.41 C ATOM 654 CG1 ILE A 54 -8.921 -1.073 4.567 1.00 0.44 C ATOM 655 CG2 ILE A 54 -10.796 -1.899 3.074 1.00 0.48 C ATOM 656 CD1 ILE A 54 -9.773 -0.405 5.657 1.00 0.49 C ATOM 0 H ILE A 54 -7.766 -3.464 5.146 1.00 0.58 H new ATOM 0 HA ILE A 54 -10.528 -3.053 5.643 1.00 0.44 H new ATOM 0 HB ILE A 54 -8.817 -2.715 3.185 1.00 0.41 H new ATOM 0 HG12 ILE A 54 -7.970 -1.371 5.008 1.00 0.44 H new ATOM 0 HG13 ILE A 54 -8.698 -0.330 3.801 1.00 0.44 H new ATOM 0 HG21 ILE A 54 -10.534 -1.097 2.384 1.00 0.48 H new ATOM 0 HG22 ILE A 54 -11.164 -2.756 2.510 1.00 0.48 H new ATOM 0 HG23 ILE A 54 -11.573 -1.552 3.755 1.00 0.48 H new ATOM 0 HD11 ILE A 54 -9.234 0.449 6.068 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -10.715 -0.066 5.226 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -9.975 -1.123 6.452 1.00 0.49 H new ATOM 668 N VAL A 55 -9.849 -5.515 3.544 1.00 0.50 N ATOM 669 CA VAL A 55 -10.378 -6.765 2.981 1.00 0.55 C ATOM 670 C VAL A 55 -11.038 -7.620 4.061 1.00 0.61 C ATOM 671 O VAL A 55 -12.184 -8.011 3.875 1.00 0.58 O ATOM 672 CB VAL A 55 -9.269 -7.535 2.240 1.00 0.76 C ATOM 673 CG1 VAL A 55 -9.593 -9.001 1.935 1.00 0.88 C ATOM 674 CG2 VAL A 55 -8.963 -6.827 0.922 1.00 0.83 C ATOM 0 H VAL A 55 -8.853 -5.383 3.368 1.00 0.50 H new ATOM 0 HA VAL A 55 -11.151 -6.516 2.254 1.00 0.55 H new ATOM 0 HB VAL A 55 -8.416 -7.543 2.918 1.00 0.76 H new ATOM 0 HG11 VAL A 55 -8.753 -9.458 1.412 1.00 0.88 H new ATOM 0 HG12 VAL A 55 -9.774 -9.535 2.868 1.00 0.88 H new ATOM 0 HG13 VAL A 55 -10.483 -9.054 1.308 1.00 0.88 H new ATOM 0 HG21 VAL A 55 -8.178 -7.367 0.392 1.00 0.83 H new ATOM 0 HG22 VAL A 55 -9.862 -6.798 0.307 1.00 0.83 H new ATOM 0 HG23 VAL A 55 -8.629 -5.809 1.125 1.00 0.83 H new ATOM 684 N MET A 56 -10.402 -7.843 5.215 1.00 0.77 N ATOM 685 CA MET A 56 -11.011 -8.607 6.316 1.00 0.91 C ATOM 686 C MET A 56 -12.217 -7.900 6.955 1.00 0.93 C ATOM 687 O MET A 56 -13.211 -8.555 7.281 1.00 1.05 O ATOM 688 CB MET A 56 -9.947 -8.981 7.360 1.00 1.00 C ATOM 689 CG MET A 56 -9.144 -10.205 6.902 1.00 1.24 C ATOM 690 SD MET A 56 -10.130 -11.729 6.776 1.00 2.07 S ATOM 691 CE MET A 56 -8.885 -12.864 6.110 1.00 2.12 C ATOM 0 H MET A 56 -9.461 -7.505 5.415 1.00 0.77 H new ATOM 0 HA MET A 56 -11.412 -9.524 5.883 1.00 0.91 H new ATOM 0 HB2 MET A 56 -9.275 -8.138 7.519 1.00 1.00 H new ATOM 0 HB3 MET A 56 -10.427 -9.192 8.316 1.00 1.00 H new ATOM 0 HG2 MET A 56 -8.697 -9.992 5.931 1.00 1.24 H new ATOM 0 HG3 MET A 56 -8.324 -10.371 7.600 1.00 1.24 H new ATOM 0 HE1 MET A 56 -9.328 -13.850 5.972 1.00 2.12 H new ATOM 0 HE2 MET A 56 -8.527 -12.490 5.151 1.00 2.12 H new ATOM 0 HE3 MET A 56 -8.049 -12.936 6.806 1.00 2.12 H new ATOM 701 N GLN A 57 -12.192 -6.567 7.047 1.00 0.84 N ATOM 702 CA GLN A 57 -13.320 -5.759 7.529 1.00 0.93 C ATOM 703 C GLN A 57 -14.466 -5.652 6.499 1.00 0.91 C ATOM 704 O GLN A 57 -15.583 -5.270 6.856 1.00 1.25 O ATOM 705 CB GLN A 57 -12.842 -4.377 8.019 1.00 0.90 C ATOM 706 CG GLN A 57 -11.903 -4.399 9.245 1.00 0.97 C ATOM 707 CD GLN A 57 -12.438 -5.260 10.386 1.00 1.38 C ATOM 708 OE1 GLN A 57 -13.437 -4.949 11.019 1.00 2.03 O ATOM 709 NE2 GLN A 57 -11.847 -6.399 10.664 1.00 1.55 N ATOM 0 H GLN A 57 -11.378 -6.010 6.786 1.00 0.84 H new ATOM 0 HA GLN A 57 -13.744 -6.284 8.385 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -12.329 -3.877 7.198 1.00 0.90 H new ATOM 0 HB3 GLN A 57 -13.717 -3.774 8.263 1.00 0.90 H new ATOM 0 HG2 GLN A 57 -10.925 -4.773 8.941 1.00 0.97 H new ATOM 0 HG3 GLN A 57 -11.757 -3.380 9.603 1.00 0.97 H new ATOM 0 HE21 GLN A 57 -11.012 -6.679 10.149 1.00 1.55 H new ATOM 0 HE22 GLN A 57 -12.223 -7.003 11.395 1.00 1.55 H new ATOM 718 N ARG A 58 -14.255 -6.043 5.237 1.00 0.64 N ATOM 719 CA ARG A 58 -15.343 -6.320 4.277 1.00 0.64 C ATOM 720 C ARG A 58 -15.739 -7.801 4.208 1.00 0.66 C ATOM 721 O ARG A 58 -16.916 -8.136 4.059 1.00 0.74 O ATOM 722 CB ARG A 58 -14.970 -5.723 2.908 1.00 0.64 C ATOM 723 CG ARG A 58 -15.091 -4.190 2.950 1.00 0.81 C ATOM 724 CD ARG A 58 -14.546 -3.513 1.685 1.00 1.13 C ATOM 725 NE ARG A 58 -15.196 -2.225 1.351 1.00 1.20 N ATOM 726 CZ ARG A 58 -15.549 -1.191 2.102 1.00 1.43 C ATOM 727 NH1 ARG A 58 -15.412 -1.102 3.394 1.00 2.35 N ATOM 728 NH2 ARG A 58 -16.075 -0.167 1.499 1.00 1.63 N ATOM 0 H ARG A 58 -13.323 -6.178 4.846 1.00 0.64 H new ATOM 0 HA ARG A 58 -16.249 -5.830 4.634 1.00 0.64 H new ATOM 0 HB2 ARG A 58 -13.952 -6.008 2.643 1.00 0.64 H new ATOM 0 HB3 ARG A 58 -15.625 -6.126 2.136 1.00 0.64 H new ATOM 0 HG2 ARG A 58 -16.138 -3.917 3.080 1.00 0.81 H new ATOM 0 HG3 ARG A 58 -14.553 -3.812 3.819 1.00 0.81 H new ATOM 0 HD2 ARG A 58 -13.476 -3.344 1.810 1.00 1.13 H new ATOM 0 HD3 ARG A 58 -14.665 -4.195 0.843 1.00 1.13 H new ATOM 0 HE ARG A 58 -15.412 -2.113 0.360 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -15.000 -1.874 3.918 1.00 2.35 H new ATOM 0 HH12 ARG A 58 -15.716 -0.260 3.882 1.00 2.35 H new ATOM 0 HH21 ARG A 58 -16.202 -0.181 0.487 1.00 1.63 H new ATOM 0 HH22 ARG A 58 -16.361 0.650 2.038 1.00 1.63 H new ATOM 742 N ARG A 59 -14.782 -8.705 4.423 1.00 0.66 N ATOM 743 CA ARG A 59 -14.979 -10.168 4.419 1.00 0.78 C ATOM 744 C ARG A 59 -15.851 -10.653 5.579 1.00 0.97 C ATOM 745 O ARG A 59 -16.532 -11.665 5.409 1.00 1.08 O ATOM 746 CB ARG A 59 -13.618 -10.878 4.310 1.00 0.89 C ATOM 747 CG ARG A 59 -13.727 -12.402 4.144 1.00 1.09 C ATOM 748 CD ARG A 59 -12.403 -13.005 3.650 1.00 1.30 C ATOM 749 NE ARG A 59 -12.410 -14.478 3.726 1.00 1.77 N ATOM 750 CZ ARG A 59 -11.427 -15.301 3.405 1.00 2.33 C ATOM 751 NH1 ARG A 59 -10.286 -14.905 2.920 1.00 2.51 N ATOM 752 NH2 ARG A 59 -11.601 -16.574 3.584 1.00 2.92 N ATOM 0 H ARG A 59 -13.816 -8.438 4.611 1.00 0.66 H new ATOM 0 HA ARG A 59 -15.554 -10.441 3.534 1.00 0.78 H new ATOM 0 HB2 ARG A 59 -13.071 -10.467 3.461 1.00 0.89 H new ATOM 0 HB3 ARG A 59 -13.032 -10.660 5.203 1.00 0.89 H new ATOM 0 HG2 ARG A 59 -14.003 -12.855 5.096 1.00 1.09 H new ATOM 0 HG3 ARG A 59 -14.523 -12.637 3.437 1.00 1.09 H new ATOM 0 HD2 ARG A 59 -12.224 -12.695 2.620 1.00 1.30 H new ATOM 0 HD3 ARG A 59 -11.580 -12.614 4.248 1.00 1.30 H new ATOM 0 HE ARG A 59 -13.270 -14.910 4.064 1.00 1.77 H new ATOM 0 HH11 ARG A 59 -10.113 -13.911 2.769 1.00 2.51 H new ATOM 0 HH12 ARG A 59 -9.564 -15.589 2.691 1.00 2.51 H new ATOM 0 HH21 ARG A 59 -12.482 -16.920 3.965 1.00 2.92 H new ATOM 0 HH22 ARG A 59 -10.857 -17.229 3.344 1.00 2.92 H new ATOM 766 N LYS A 60 -15.979 -9.867 6.661 1.00 1.08 N ATOM 767 CA LYS A 60 -16.954 -10.093 7.750 1.00 1.37 C ATOM 768 C LYS A 60 -18.400 -10.274 7.262 1.00 1.42 C ATOM 769 O LYS A 60 -19.167 -10.964 7.928 1.00 1.63 O ATOM 770 CB LYS A 60 -16.843 -9.005 8.834 1.00 1.55 C ATOM 771 CG LYS A 60 -17.548 -7.686 8.486 1.00 1.57 C ATOM 772 CD LYS A 60 -17.551 -6.691 9.652 1.00 1.88 C ATOM 773 CE LYS A 60 -16.174 -6.064 9.881 1.00 1.76 C ATOM 774 NZ LYS A 60 -16.224 -4.849 10.732 1.00 1.98 N ATOM 0 H LYS A 60 -15.399 -9.041 6.809 1.00 1.08 H new ATOM 0 HA LYS A 60 -16.684 -11.048 8.201 1.00 1.37 H new ATOM 0 HB2 LYS A 60 -17.261 -9.392 9.763 1.00 1.55 H new ATOM 0 HB3 LYS A 60 -15.788 -8.801 9.020 1.00 1.55 H new ATOM 0 HG2 LYS A 60 -17.055 -7.231 7.627 1.00 1.57 H new ATOM 0 HG3 LYS A 60 -18.576 -7.895 8.190 1.00 1.57 H new ATOM 0 HD2 LYS A 60 -18.278 -5.904 9.454 1.00 1.88 H new ATOM 0 HD3 LYS A 60 -17.872 -7.200 10.561 1.00 1.88 H new ATOM 0 HE2 LYS A 60 -15.519 -6.800 10.347 1.00 1.76 H new ATOM 0 HE3 LYS A 60 -15.733 -5.808 8.918 1.00 1.76 H new ATOM 0 HZ1 LYS A 60 -15.261 -4.597 11.034 1.00 1.98 H new ATOM 0 HZ2 LYS A 60 -16.635 -4.062 10.190 1.00 1.98 H new ATOM 0 HZ3 LYS A 60 -16.811 -5.036 11.570 1.00 1.98 H new ATOM 788 N ASN A 61 -18.764 -9.688 6.112 1.00 1.29 N ATOM 789 CA ASN A 61 -20.094 -9.809 5.512 1.00 1.41 C ATOM 790 C ASN A 61 -20.155 -10.718 4.264 1.00 1.34 C ATOM 791 O ASN A 61 -21.251 -11.029 3.805 1.00 1.52 O ATOM 792 CB ASN A 61 -20.655 -8.402 5.252 1.00 1.59 C ATOM 793 CG ASN A 61 -21.229 -7.801 6.522 1.00 1.89 C ATOM 794 OD1 ASN A 61 -22.193 -8.300 7.083 1.00 2.10 O ATOM 795 ND2 ASN A 61 -20.628 -6.759 7.032 1.00 2.12 N ATOM 0 H ASN A 61 -18.128 -9.107 5.566 1.00 1.29 H new ATOM 0 HA ASN A 61 -20.731 -10.327 6.229 1.00 1.41 H new ATOM 0 HB2 ASN A 61 -19.865 -7.758 4.865 1.00 1.59 H new ATOM 0 HB3 ASN A 61 -21.430 -8.451 4.487 1.00 1.59 H new ATOM 0 HD21 ASN A 61 -20.963 -6.354 7.906 1.00 2.12 H new ATOM 0 HD22 ASN A 61 -19.824 -6.350 6.556 1.00 2.12 H new ATOM 802 N GLY A 62 -19.024 -11.157 3.695 1.00 1.14 N ATOM 803 CA GLY A 62 -18.987 -12.209 2.658 1.00 1.12 C ATOM 804 C GLY A 62 -19.657 -11.878 1.308 1.00 1.23 C ATOM 805 O GLY A 62 -19.958 -12.784 0.528 1.00 1.34 O ATOM 0 H GLY A 62 -18.103 -10.794 3.939 1.00 1.14 H new ATOM 0 HA2 GLY A 62 -17.944 -12.461 2.467 1.00 1.12 H new ATOM 0 HA3 GLY A 62 -19.462 -13.102 3.063 1.00 1.12 H new ATOM 809 N VAL A 63 -19.945 -10.600 1.042 1.00 1.29 N ATOM 810 CA VAL A 63 -21.022 -10.165 0.121 1.00 1.51 C ATOM 811 C VAL A 63 -20.556 -9.500 -1.187 1.00 1.44 C ATOM 812 O VAL A 63 -21.295 -9.529 -2.174 1.00 1.65 O ATOM 813 CB VAL A 63 -22.007 -9.272 0.911 1.00 1.86 C ATOM 814 CG1 VAL A 63 -21.332 -8.034 1.518 1.00 1.92 C ATOM 815 CG2 VAL A 63 -23.214 -8.811 0.090 1.00 2.20 C ATOM 0 H VAL A 63 -19.435 -9.822 1.461 1.00 1.29 H new ATOM 0 HA VAL A 63 -21.517 -11.068 -0.235 1.00 1.51 H new ATOM 0 HB VAL A 63 -22.361 -9.923 1.711 1.00 1.86 H new ATOM 0 HG11 VAL A 63 -22.072 -7.445 2.060 1.00 1.92 H new ATOM 0 HG12 VAL A 63 -20.545 -8.348 2.203 1.00 1.92 H new ATOM 0 HG13 VAL A 63 -20.899 -7.428 0.722 1.00 1.92 H new ATOM 0 HG21 VAL A 63 -23.860 -8.189 0.710 1.00 2.20 H new ATOM 0 HG22 VAL A 63 -22.871 -8.234 -0.769 1.00 2.20 H new ATOM 0 HG23 VAL A 63 -23.772 -9.681 -0.257 1.00 2.20 H new ATOM 825 N LYS A 64 -19.352 -8.918 -1.217 1.00 1.46 N ATOM 826 CA LYS A 64 -18.808 -8.092 -2.309 1.00 1.62 C ATOM 827 C LYS A 64 -17.378 -8.481 -2.708 1.00 1.52 C ATOM 828 O LYS A 64 -16.723 -9.201 -1.950 1.00 1.33 O ATOM 829 CB LYS A 64 -18.866 -6.623 -1.850 1.00 1.76 C ATOM 830 CG LYS A 64 -18.072 -6.306 -0.564 1.00 1.59 C ATOM 831 CD LYS A 64 -17.652 -4.832 -0.431 1.00 1.71 C ATOM 832 CE LYS A 64 -18.728 -3.849 -0.920 1.00 2.31 C ATOM 833 NZ LYS A 64 -18.407 -2.444 -0.586 1.00 3.09 N ATOM 0 H LYS A 64 -18.695 -9.013 -0.443 1.00 1.46 H new ATOM 0 HA LYS A 64 -19.410 -8.252 -3.203 1.00 1.62 H new ATOM 0 HB2 LYS A 64 -18.490 -5.992 -2.655 1.00 1.76 H new ATOM 0 HB3 LYS A 64 -19.909 -6.349 -1.691 1.00 1.76 H new ATOM 0 HG2 LYS A 64 -18.677 -6.579 0.300 1.00 1.59 H new ATOM 0 HG3 LYS A 64 -17.179 -6.931 -0.538 1.00 1.59 H new ATOM 0 HD2 LYS A 64 -17.422 -4.619 0.613 1.00 1.71 H new ATOM 0 HD3 LYS A 64 -16.736 -4.669 -0.999 1.00 1.71 H new ATOM 0 HE2 LYS A 64 -18.840 -3.946 -2.000 1.00 2.31 H new ATOM 0 HE3 LYS A 64 -19.687 -4.115 -0.475 1.00 2.31 H new ATOM 0 HZ1 LYS A 64 -19.068 -1.810 -1.079 1.00 3.09 H new ATOM 0 HZ2 LYS A 64 -18.493 -2.303 0.441 1.00 3.09 H new ATOM 0 HZ3 LYS A 64 -17.434 -2.230 -0.885 1.00 3.09 H new ATOM 847 N PRO A 65 -16.836 -7.961 -3.827 1.00 1.74 N ATOM 848 CA PRO A 65 -15.388 -7.842 -3.996 1.00 1.67 C ATOM 849 C PRO A 65 -14.788 -7.005 -2.850 1.00 1.36 C ATOM 850 O PRO A 65 -15.128 -5.834 -2.671 1.00 1.41 O ATOM 851 CB PRO A 65 -15.193 -7.216 -5.380 1.00 2.00 C ATOM 852 CG PRO A 65 -16.488 -6.445 -5.629 1.00 2.19 C ATOM 853 CD PRO A 65 -17.528 -7.330 -4.948 1.00 2.09 C ATOM 0 HA PRO A 65 -14.868 -8.799 -3.947 1.00 1.67 H new ATOM 0 HB2 PRO A 65 -14.326 -6.555 -5.400 1.00 2.00 H new ATOM 0 HB3 PRO A 65 -15.030 -7.978 -6.142 1.00 2.00 H new ATOM 0 HG2 PRO A 65 -16.457 -5.446 -5.194 1.00 2.19 H new ATOM 0 HG3 PRO A 65 -16.691 -6.324 -6.693 1.00 2.19 H new ATOM 0 HD2 PRO A 65 -18.378 -6.741 -4.602 1.00 2.09 H new ATOM 0 HD3 PRO A 65 -17.918 -8.078 -5.638 1.00 2.09 H new ATOM 861 N PHE A 66 -13.947 -7.640 -2.032 1.00 1.14 N ATOM 862 CA PHE A 66 -13.419 -7.087 -0.779 1.00 0.85 C ATOM 863 C PHE A 66 -12.280 -6.089 -0.999 1.00 0.84 C ATOM 864 O PHE A 66 -12.252 -5.042 -0.354 1.00 0.75 O ATOM 865 CB PHE A 66 -12.906 -8.230 0.107 1.00 0.86 C ATOM 866 CG PHE A 66 -13.870 -9.366 0.391 1.00 0.90 C ATOM 867 CD1 PHE A 66 -15.193 -9.105 0.794 1.00 2.10 C ATOM 868 CD2 PHE A 66 -13.432 -10.697 0.256 1.00 2.01 C ATOM 869 CE1 PHE A 66 -16.080 -10.167 1.036 1.00 2.17 C ATOM 870 CE2 PHE A 66 -14.314 -11.761 0.513 1.00 2.01 C ATOM 871 CZ PHE A 66 -15.638 -11.494 0.896 1.00 1.05 C ATOM 0 H PHE A 66 -13.603 -8.580 -2.227 1.00 1.14 H new ATOM 0 HA PHE A 66 -14.239 -6.552 -0.300 1.00 0.85 H new ATOM 0 HB2 PHE A 66 -12.016 -8.650 -0.363 1.00 0.86 H new ATOM 0 HB3 PHE A 66 -12.593 -7.805 1.061 1.00 0.86 H new ATOM 0 HD1 PHE A 66 -15.527 -8.085 0.918 1.00 2.10 H new ATOM 0 HD2 PHE A 66 -12.415 -10.901 -0.046 1.00 2.01 H new ATOM 0 HE1 PHE A 66 -17.100 -9.964 1.329 1.00 2.17 H new ATOM 0 HE2 PHE A 66 -13.974 -12.781 0.416 1.00 2.01 H new ATOM 0 HZ PHE A 66 -16.319 -12.311 1.084 1.00 1.05 H new ATOM 881 N MET A 67 -11.356 -6.420 -1.908 1.00 1.09 N ATOM 882 CA MET A 67 -10.335 -5.508 -2.425 1.00 1.28 C ATOM 883 C MET A 67 -11.022 -4.266 -3.025 1.00 1.41 C ATOM 884 O MET A 67 -11.739 -4.399 -4.024 1.00 1.58 O ATOM 885 CB MET A 67 -9.489 -6.219 -3.490 1.00 1.54 C ATOM 886 CG MET A 67 -8.358 -7.047 -2.878 1.00 1.57 C ATOM 887 SD MET A 67 -7.078 -6.069 -2.035 1.00 1.64 S ATOM 888 CE MET A 67 -6.038 -7.434 -1.456 1.00 1.76 C ATOM 0 H MET A 67 -11.298 -7.354 -2.313 1.00 1.09 H new ATOM 0 HA MET A 67 -9.677 -5.196 -1.614 1.00 1.28 H new ATOM 0 HB2 MET A 67 -10.130 -6.869 -4.085 1.00 1.54 H new ATOM 0 HB3 MET A 67 -9.067 -5.478 -4.169 1.00 1.54 H new ATOM 0 HG2 MET A 67 -8.786 -7.753 -2.166 1.00 1.57 H new ATOM 0 HG3 MET A 67 -7.888 -7.635 -3.666 1.00 1.57 H new ATOM 0 HE1 MET A 67 -5.448 -7.105 -0.600 1.00 1.76 H new ATOM 0 HE2 MET A 67 -6.669 -8.272 -1.161 1.00 1.76 H new ATOM 0 HE3 MET A 67 -5.370 -7.748 -2.258 1.00 1.76 H new ATOM 898 N PRO A 68 -10.858 -3.076 -2.416 1.00 1.37 N ATOM 899 CA PRO A 68 -11.734 -1.935 -2.659 1.00 1.43 C ATOM 900 C PRO A 68 -11.611 -1.359 -4.072 1.00 1.61 C ATOM 901 O PRO A 68 -10.512 -1.221 -4.623 1.00 1.68 O ATOM 902 CB PRO A 68 -11.392 -0.901 -1.580 1.00 1.37 C ATOM 903 CG PRO A 68 -9.981 -1.277 -1.140 1.00 1.28 C ATOM 904 CD PRO A 68 -9.958 -2.791 -1.308 1.00 1.23 C ATOM 0 HA PRO A 68 -12.777 -2.245 -2.598 1.00 1.43 H new ATOM 0 HB2 PRO A 68 -11.429 0.114 -1.975 1.00 1.37 H new ATOM 0 HB3 PRO A 68 -12.095 -0.946 -0.748 1.00 1.37 H new ATOM 0 HG2 PRO A 68 -9.224 -0.792 -1.756 1.00 1.28 H new ATOM 0 HG3 PRO A 68 -9.789 -0.983 -0.108 1.00 1.28 H new ATOM 0 HD2 PRO A 68 -8.950 -3.146 -1.521 1.00 1.23 H new ATOM 0 HD3 PRO A 68 -10.287 -3.291 -0.397 1.00 1.23 H new ATOM 912 N THR A 69 -12.762 -0.964 -4.617 1.00 1.69 N ATOM 913 CA THR A 69 -12.913 -0.211 -5.864 1.00 1.80 C ATOM 914 C THR A 69 -12.473 1.243 -5.699 1.00 1.82 C ATOM 915 O THR A 69 -12.282 1.723 -4.584 1.00 1.72 O ATOM 916 CB THR A 69 -14.362 -0.296 -6.386 1.00 1.86 C ATOM 917 OG1 THR A 69 -15.292 0.167 -5.429 1.00 1.84 O ATOM 918 CG2 THR A 69 -14.770 -1.721 -6.755 1.00 1.96 C ATOM 0 H THR A 69 -13.660 -1.171 -4.179 1.00 1.69 H new ATOM 0 HA THR A 69 -12.258 -0.668 -6.606 1.00 1.80 H new ATOM 0 HB THR A 69 -14.378 0.335 -7.275 1.00 1.86 H new ATOM 0 HG1 THR A 69 -15.452 -0.533 -4.762 1.00 1.84 H new ATOM 0 HG21 THR A 69 -15.798 -1.723 -7.116 1.00 1.96 H new ATOM 0 HG22 THR A 69 -14.110 -2.098 -7.537 1.00 1.96 H new ATOM 0 HG23 THR A 69 -14.693 -2.361 -5.876 1.00 1.96 H new ATOM 926 N ALA A 70 -12.285 1.959 -6.805 1.00 1.96 N ATOM 927 CA ALA A 70 -11.674 3.295 -6.815 1.00 1.99 C ATOM 928 C ALA A 70 -12.396 4.320 -5.911 1.00 1.94 C ATOM 929 O ALA A 70 -11.736 5.093 -5.211 1.00 1.86 O ATOM 930 CB ALA A 70 -11.591 3.777 -8.269 1.00 2.20 C ATOM 0 H ALA A 70 -12.554 1.628 -7.732 1.00 1.96 H new ATOM 0 HA ALA A 70 -10.675 3.213 -6.386 1.00 1.99 H new ATOM 0 HB1 ALA A 70 -11.140 4.769 -8.298 1.00 2.20 H new ATOM 0 HB2 ALA A 70 -10.981 3.083 -8.848 1.00 2.20 H new ATOM 0 HB3 ALA A 70 -12.593 3.822 -8.695 1.00 2.20 H new ATOM 936 N ALA A 71 -13.732 4.295 -5.864 1.00 2.01 N ATOM 937 CA ALA A 71 -14.526 5.145 -4.974 1.00 2.00 C ATOM 938 C ALA A 71 -14.384 4.758 -3.485 1.00 1.85 C ATOM 939 O ALA A 71 -14.321 5.640 -2.627 1.00 1.89 O ATOM 940 CB ALA A 71 -15.987 5.095 -5.433 1.00 2.16 C ATOM 0 H ALA A 71 -14.297 3.678 -6.448 1.00 2.01 H new ATOM 0 HA ALA A 71 -14.148 6.165 -5.041 1.00 2.00 H new ATOM 0 HB1 ALA A 71 -16.595 5.723 -4.781 1.00 2.16 H new ATOM 0 HB2 ALA A 71 -16.059 5.459 -6.458 1.00 2.16 H new ATOM 0 HB3 ALA A 71 -16.348 4.068 -5.387 1.00 2.16 H new ATOM 946 N GLU A 72 -14.276 3.462 -3.169 1.00 1.71 N ATOM 947 CA GLU A 72 -14.025 2.960 -1.821 1.00 1.56 C ATOM 948 C GLU A 72 -12.620 3.370 -1.384 1.00 1.46 C ATOM 949 O GLU A 72 -12.469 4.041 -0.369 1.00 1.41 O ATOM 950 CB GLU A 72 -14.182 1.435 -1.776 1.00 1.53 C ATOM 951 CG GLU A 72 -15.590 0.963 -2.134 1.00 1.66 C ATOM 952 CD GLU A 72 -15.634 -0.565 -2.134 1.00 2.26 C ATOM 953 OE1 GLU A 72 -15.231 -1.174 -3.153 1.00 3.01 O ATOM 954 OE2 GLU A 72 -16.042 -1.156 -1.105 1.00 2.60 O ATOM 0 H GLU A 72 -14.363 2.719 -3.863 1.00 1.71 H new ATOM 0 HA GLU A 72 -14.754 3.391 -1.135 1.00 1.56 H new ATOM 0 HB2 GLU A 72 -13.468 0.983 -2.464 1.00 1.53 H new ATOM 0 HB3 GLU A 72 -13.930 1.080 -0.777 1.00 1.53 H new ATOM 0 HG2 GLU A 72 -16.310 1.358 -1.417 1.00 1.66 H new ATOM 0 HG3 GLU A 72 -15.874 1.345 -3.114 1.00 1.66 H new ATOM 961 N ARG A 73 -11.604 3.045 -2.197 1.00 1.46 N ATOM 962 CA ARG A 73 -10.204 3.453 -2.008 1.00 1.43 C ATOM 963 C ARG A 73 -10.089 4.950 -1.709 1.00 1.48 C ATOM 964 O ARG A 73 -9.428 5.328 -0.745 1.00 1.35 O ATOM 965 CB ARG A 73 -9.437 3.065 -3.284 1.00 1.47 C ATOM 966 CG ARG A 73 -7.918 3.294 -3.222 1.00 2.47 C ATOM 967 CD ARG A 73 -7.244 2.824 -4.522 1.00 2.47 C ATOM 968 NE ARG A 73 -7.671 3.621 -5.689 1.00 2.61 N ATOM 969 CZ ARG A 73 -7.730 3.260 -6.958 1.00 3.44 C ATOM 970 NH1 ARG A 73 -7.546 2.037 -7.363 1.00 3.87 N ATOM 971 NH2 ARG A 73 -8.022 4.159 -7.848 1.00 4.83 N ATOM 0 H ARG A 73 -11.738 2.473 -3.031 1.00 1.46 H new ATOM 0 HA ARG A 73 -9.775 2.945 -1.144 1.00 1.43 H new ATOM 0 HB2 ARG A 73 -9.622 2.012 -3.496 1.00 1.47 H new ATOM 0 HB3 ARG A 73 -9.842 3.634 -4.121 1.00 1.47 H new ATOM 0 HG2 ARG A 73 -7.711 4.352 -3.061 1.00 2.47 H new ATOM 0 HG3 ARG A 73 -7.498 2.754 -2.373 1.00 2.47 H new ATOM 0 HD2 ARG A 73 -6.162 2.892 -4.414 1.00 2.47 H new ATOM 0 HD3 ARG A 73 -7.482 1.774 -4.694 1.00 2.47 H new ATOM 0 HE ARG A 73 -7.959 4.579 -5.488 1.00 2.61 H new ATOM 0 HH11 ARG A 73 -7.345 1.301 -6.687 1.00 3.87 H new ATOM 0 HH12 ARG A 73 -7.603 1.815 -8.357 1.00 3.87 H new ATOM 0 HH21 ARG A 73 -8.200 5.121 -7.561 1.00 4.83 H new ATOM 0 HH22 ARG A 73 -8.073 3.903 -8.834 1.00 4.83 H new ATOM 985 N ASP A 74 -10.800 5.772 -2.481 1.00 1.65 N ATOM 986 CA ASP A 74 -10.854 7.223 -2.302 1.00 1.76 C ATOM 987 C ASP A 74 -11.453 7.635 -0.944 1.00 1.71 C ATOM 988 O ASP A 74 -10.799 8.339 -0.171 1.00 1.68 O ATOM 989 CB ASP A 74 -11.648 7.821 -3.472 1.00 1.97 C ATOM 990 CG ASP A 74 -11.867 9.327 -3.341 1.00 2.05 C ATOM 991 OD1 ASP A 74 -10.983 10.115 -3.750 1.00 3.35 O ATOM 992 OD2 ASP A 74 -12.940 9.742 -2.846 1.00 1.85 O ATOM 0 H ASP A 74 -11.365 5.442 -3.263 1.00 1.65 H new ATOM 0 HA ASP A 74 -9.837 7.615 -2.299 1.00 1.76 H new ATOM 0 HB2 ASP A 74 -11.120 7.616 -4.403 1.00 1.97 H new ATOM 0 HB3 ASP A 74 -12.616 7.324 -3.538 1.00 1.97 H new ATOM 997 N GLU A 75 -12.670 7.177 -0.619 1.00 1.73 N ATOM 998 CA GLU A 75 -13.335 7.578 0.631 1.00 1.74 C ATOM 999 C GLU A 75 -12.646 7.016 1.883 1.00 1.53 C ATOM 1000 O GLU A 75 -12.696 7.632 2.948 1.00 1.57 O ATOM 1001 CB GLU A 75 -14.834 7.234 0.612 1.00 1.87 C ATOM 1002 CG GLU A 75 -15.177 5.741 0.726 1.00 1.74 C ATOM 1003 CD GLU A 75 -16.681 5.512 0.890 1.00 1.93 C ATOM 1004 OE1 GLU A 75 -17.489 5.995 0.058 1.00 3.01 O ATOM 1005 OE2 GLU A 75 -17.082 4.865 1.889 1.00 1.91 O ATOM 0 H GLU A 75 -13.211 6.534 -1.198 1.00 1.73 H new ATOM 0 HA GLU A 75 -13.242 8.662 0.689 1.00 1.74 H new ATOM 0 HB2 GLU A 75 -15.320 7.763 1.432 1.00 1.87 H new ATOM 0 HB3 GLU A 75 -15.264 7.617 -0.313 1.00 1.87 H new ATOM 0 HG2 GLU A 75 -14.825 5.219 -0.164 1.00 1.74 H new ATOM 0 HG3 GLU A 75 -14.649 5.311 1.577 1.00 1.74 H new ATOM 1012 N ILE A 76 -11.973 5.871 1.754 1.00 1.32 N ATOM 1013 CA ILE A 76 -11.214 5.216 2.820 1.00 1.11 C ATOM 1014 C ILE A 76 -9.909 5.971 3.084 1.00 1.07 C ATOM 1015 O ILE A 76 -9.604 6.254 4.241 1.00 1.04 O ATOM 1016 CB ILE A 76 -11.005 3.726 2.464 1.00 0.92 C ATOM 1017 CG1 ILE A 76 -12.357 2.975 2.571 1.00 0.94 C ATOM 1018 CG2 ILE A 76 -9.948 3.089 3.379 1.00 0.76 C ATOM 1019 CD1 ILE A 76 -12.421 1.660 1.784 1.00 0.81 C ATOM 0 H ILE A 76 -11.941 5.357 0.874 1.00 1.32 H new ATOM 0 HA ILE A 76 -11.772 5.243 3.756 1.00 1.11 H new ATOM 0 HB ILE A 76 -10.640 3.652 1.440 1.00 0.92 H new ATOM 0 HG12 ILE A 76 -12.559 2.765 3.621 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -13.152 3.633 2.219 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -9.818 2.041 3.110 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.000 3.614 3.261 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -10.275 3.159 4.416 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.402 1.204 1.917 1.00 0.81 H new ATOM 0 HD12 ILE A 76 -12.254 1.861 0.726 1.00 0.81 H new ATOM 0 HD13 ILE A 76 -11.652 0.979 2.150 1.00 0.81 H new ATOM 1031 N LEU A 77 -9.174 6.381 2.043 1.00 1.11 N ATOM 1032 CA LEU A 77 -8.007 7.261 2.192 1.00 1.12 C ATOM 1033 C LEU A 77 -8.376 8.613 2.810 1.00 1.23 C ATOM 1034 O LEU A 77 -7.643 9.133 3.655 1.00 1.17 O ATOM 1035 CB LEU A 77 -7.362 7.471 0.817 1.00 1.20 C ATOM 1036 CG LEU A 77 -6.461 6.302 0.396 1.00 1.14 C ATOM 1037 CD1 LEU A 77 -6.127 6.457 -1.081 1.00 1.31 C ATOM 1038 CD2 LEU A 77 -5.157 6.278 1.194 1.00 1.06 C ATOM 0 H LEU A 77 -9.370 6.114 1.078 1.00 1.11 H new ATOM 0 HA LEU A 77 -7.304 6.780 2.872 1.00 1.12 H new ATOM 0 HB2 LEU A 77 -8.145 7.607 0.071 1.00 1.20 H new ATOM 0 HB3 LEU A 77 -6.774 8.389 0.833 1.00 1.20 H new ATOM 0 HG LEU A 77 -6.994 5.371 0.587 1.00 1.14 H new ATOM 0 HD11 LEU A 77 -5.487 5.634 -1.398 1.00 1.31 H new ATOM 0 HD12 LEU A 77 -7.047 6.446 -1.665 1.00 1.31 H new ATOM 0 HD13 LEU A 77 -5.608 7.402 -1.239 1.00 1.31 H new ATOM 0 HD21 LEU A 77 -4.546 5.437 0.867 1.00 1.06 H new ATOM 0 HD22 LEU A 77 -4.612 7.208 1.029 1.00 1.06 H new ATOM 0 HD23 LEU A 77 -5.382 6.173 2.255 1.00 1.06 H new ATOM 1050 N ARG A 78 -9.546 9.146 2.440 1.00 1.42 N ATOM 1051 CA ARG A 78 -10.106 10.362 3.057 1.00 1.59 C ATOM 1052 C ARG A 78 -10.474 10.137 4.525 1.00 1.57 C ATOM 1053 O ARG A 78 -10.245 11.022 5.346 1.00 1.66 O ATOM 1054 CB ARG A 78 -11.319 10.886 2.272 1.00 1.75 C ATOM 1055 CG ARG A 78 -10.953 11.498 0.915 1.00 1.87 C ATOM 1056 CD ARG A 78 -12.224 11.975 0.201 1.00 1.92 C ATOM 1057 NE ARG A 78 -12.052 12.023 -1.258 1.00 3.18 N ATOM 1058 CZ ARG A 78 -11.605 13.016 -2.001 1.00 4.12 C ATOM 1059 NH1 ARG A 78 -11.274 14.188 -1.535 1.00 4.41 N ATOM 1060 NH2 ARG A 78 -11.471 12.811 -3.273 1.00 5.42 N ATOM 0 H ARG A 78 -10.133 8.750 1.706 1.00 1.42 H new ATOM 0 HA ARG A 78 -9.324 11.121 3.021 1.00 1.59 H new ATOM 0 HB2 ARG A 78 -12.021 10.067 2.115 1.00 1.75 H new ATOM 0 HB3 ARG A 78 -11.834 11.636 2.873 1.00 1.75 H new ATOM 0 HG2 ARG A 78 -10.268 12.334 1.056 1.00 1.87 H new ATOM 0 HG3 ARG A 78 -10.435 10.761 0.301 1.00 1.87 H new ATOM 0 HD2 ARG A 78 -13.050 11.307 0.447 1.00 1.92 H new ATOM 0 HD3 ARG A 78 -12.495 12.965 0.567 1.00 1.92 H new ATOM 0 HE ARG A 78 -12.313 11.176 -1.762 1.00 3.18 H new ATOM 0 HH11 ARG A 78 -11.354 14.381 -0.537 1.00 4.41 H new ATOM 0 HH12 ARG A 78 -10.935 14.912 -2.169 1.00 4.41 H new ATOM 0 HH21 ARG A 78 -11.709 11.902 -3.671 1.00 5.42 H new ATOM 0 HH22 ARG A 78 -11.128 13.558 -3.877 1.00 5.42 H new ATOM 1074 N ALA A 79 -10.980 8.954 4.872 1.00 1.48 N ATOM 1075 CA ALA A 79 -11.296 8.589 6.253 1.00 1.50 C ATOM 1076 C ALA A 79 -10.038 8.398 7.122 1.00 1.39 C ATOM 1077 O ALA A 79 -10.041 8.788 8.290 1.00 1.61 O ATOM 1078 CB ALA A 79 -12.190 7.345 6.246 1.00 1.50 C ATOM 0 H ALA A 79 -11.184 8.216 4.198 1.00 1.48 H new ATOM 0 HA ALA A 79 -11.836 9.415 6.716 1.00 1.50 H new ATOM 0 HB1 ALA A 79 -12.431 7.065 7.271 1.00 1.50 H new ATOM 0 HB2 ALA A 79 -13.110 7.561 5.703 1.00 1.50 H new ATOM 0 HB3 ALA A 79 -11.666 6.523 5.759 1.00 1.50 H new ATOM 1084 N VAL A 80 -8.930 7.891 6.560 1.00 1.11 N ATOM 1085 CA VAL A 80 -7.626 7.871 7.251 1.00 0.98 C ATOM 1086 C VAL A 80 -7.121 9.303 7.443 1.00 1.05 C ATOM 1087 O VAL A 80 -6.589 9.640 8.504 1.00 1.06 O ATOM 1088 CB VAL A 80 -6.595 7.029 6.469 1.00 0.82 C ATOM 1089 CG1 VAL A 80 -5.207 7.051 7.113 1.00 0.84 C ATOM 1090 CG2 VAL A 80 -7.021 5.561 6.402 1.00 0.72 C ATOM 0 H VAL A 80 -8.909 7.487 5.624 1.00 1.11 H new ATOM 0 HA VAL A 80 -7.757 7.406 8.228 1.00 0.98 H new ATOM 0 HB VAL A 80 -6.551 7.478 5.477 1.00 0.82 H new ATOM 0 HG11 VAL A 80 -4.522 6.443 6.522 1.00 0.84 H new ATOM 0 HG12 VAL A 80 -4.840 8.077 7.152 1.00 0.84 H new ATOM 0 HG13 VAL A 80 -5.269 6.649 8.124 1.00 0.84 H new ATOM 0 HG21 VAL A 80 -6.277 4.991 5.846 1.00 0.72 H new ATOM 0 HG22 VAL A 80 -7.104 5.160 7.412 1.00 0.72 H new ATOM 0 HG23 VAL A 80 -7.986 5.485 5.900 1.00 0.72 H new ATOM 1100 N GLY A 81 -7.315 10.146 6.424 1.00 1.12 N ATOM 1101 CA GLY A 81 -6.933 11.563 6.424 1.00 1.20 C ATOM 1102 C GLY A 81 -5.434 11.780 6.209 1.00 1.15 C ATOM 1103 O GLY A 81 -4.900 12.852 6.491 1.00 1.19 O ATOM 0 H GLY A 81 -7.755 9.854 5.551 1.00 1.12 H new ATOM 0 HA2 GLY A 81 -7.485 12.082 5.641 1.00 1.20 H new ATOM 0 HA3 GLY A 81 -7.227 12.012 7.373 1.00 1.20 H new ATOM 1107 N ASN A 82 -4.751 10.718 5.789 1.00 1.10 N ATOM 1108 CA ASN A 82 -3.318 10.624 5.551 1.00 1.06 C ATOM 1109 C ASN A 82 -3.047 9.389 4.663 1.00 1.01 C ATOM 1110 O ASN A 82 -3.936 8.564 4.438 1.00 0.98 O ATOM 1111 CB ASN A 82 -2.616 10.522 6.930 1.00 1.00 C ATOM 1112 CG ASN A 82 -1.101 10.645 6.894 1.00 1.11 C ATOM 1113 OD1 ASN A 82 -0.488 11.010 5.902 1.00 1.66 O ATOM 1114 ND2 ASN A 82 -0.438 10.360 7.986 1.00 1.57 N ATOM 0 H ASN A 82 -5.223 9.836 5.592 1.00 1.10 H new ATOM 0 HA ASN A 82 -2.929 11.498 5.029 1.00 1.06 H new ATOM 0 HB2 ASN A 82 -3.013 11.301 7.581 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -2.877 9.565 7.383 1.00 1.00 H new ATOM 0 HD21 ASN A 82 0.578 10.444 8.002 1.00 1.57 H new ATOM 0 HD22 ASN A 82 -0.938 10.054 8.821 1.00 1.57 H new ATOM 1121 N MET A 83 -1.804 9.210 4.225 1.00 1.04 N ATOM 1122 CA MET A 83 -1.280 7.942 3.746 1.00 1.02 C ATOM 1123 C MET A 83 -1.383 6.910 4.885 1.00 0.90 C ATOM 1124 O MET A 83 -0.932 7.210 5.996 1.00 1.03 O ATOM 1125 CB MET A 83 0.183 8.182 3.328 1.00 1.27 C ATOM 1126 CG MET A 83 0.741 7.173 2.323 1.00 1.41 C ATOM 1127 SD MET A 83 0.461 7.600 0.578 1.00 1.61 S ATOM 1128 CE MET A 83 -1.282 7.164 0.357 1.00 1.41 C ATOM 0 H MET A 83 -1.118 9.965 4.194 1.00 1.04 H new ATOM 0 HA MET A 83 -1.839 7.558 2.892 1.00 1.02 H new ATOM 0 HB2 MET A 83 0.264 9.181 2.900 1.00 1.27 H new ATOM 0 HB3 MET A 83 0.808 8.166 4.221 1.00 1.27 H new ATOM 0 HG2 MET A 83 1.813 7.070 2.490 1.00 1.41 H new ATOM 0 HG3 MET A 83 0.293 6.199 2.520 1.00 1.41 H new ATOM 0 HE1 MET A 83 -1.505 7.085 -0.707 1.00 1.41 H new ATOM 0 HE2 MET A 83 -1.482 6.209 0.842 1.00 1.41 H new ATOM 0 HE3 MET A 83 -1.909 7.936 0.803 1.00 1.41 H new ATOM 1138 N PRO A 84 -1.926 5.695 4.662 1.00 0.82 N ATOM 1139 CA PRO A 84 -1.960 4.670 5.700 1.00 0.89 C ATOM 1140 C PRO A 84 -0.558 4.115 6.003 1.00 1.20 C ATOM 1141 O PRO A 84 -0.359 3.491 7.049 1.00 1.57 O ATOM 1142 CB PRO A 84 -2.933 3.597 5.200 1.00 0.76 C ATOM 1143 CG PRO A 84 -3.115 3.828 3.695 1.00 0.76 C ATOM 1144 CD PRO A 84 -2.535 5.224 3.430 1.00 0.86 C ATOM 0 HA PRO A 84 -2.300 5.076 6.653 1.00 0.89 H new ATOM 0 HB2 PRO A 84 -2.540 2.599 5.393 1.00 0.76 H new ATOM 0 HB3 PRO A 84 -3.888 3.669 5.720 1.00 0.76 H new ATOM 0 HG2 PRO A 84 -2.593 3.068 3.114 1.00 0.76 H new ATOM 0 HG3 PRO A 84 -4.167 3.778 3.413 1.00 0.76 H new ATOM 0 HD2 PRO A 84 -1.796 5.185 2.630 1.00 0.86 H new ATOM 0 HD3 PRO A 84 -3.319 5.908 3.106 1.00 0.86 H new ATOM 1152 N TYR A 85 0.406 4.376 5.111 1.00 1.25 N ATOM 1153 CA TYR A 85 1.792 3.887 5.142 1.00 1.62 C ATOM 1154 C TYR A 85 2.839 5.005 5.221 1.00 1.45 C ATOM 1155 O TYR A 85 4.049 4.677 5.209 1.00 2.07 O ATOM 1156 CB TYR A 85 2.009 2.938 3.949 1.00 2.04 C ATOM 1157 CG TYR A 85 1.604 3.485 2.592 1.00 1.75 C ATOM 1158 CD1 TYR A 85 0.284 3.301 2.137 1.00 1.99 C ATOM 1159 CD2 TYR A 85 2.553 4.092 1.748 1.00 2.74 C ATOM 1160 CE1 TYR A 85 -0.095 3.724 0.849 1.00 1.92 C ATOM 1161 CE2 TYR A 85 2.186 4.490 0.446 1.00 3.12 C ATOM 1162 CZ TYR A 85 0.862 4.309 -0.010 1.00 2.25 C ATOM 1163 OH TYR A 85 0.526 4.655 -1.284 1.00 2.77 O ATOM 0 H TYR A 85 0.230 4.969 4.300 1.00 1.25 H new ATOM 0 HA TYR A 85 1.940 3.333 6.069 1.00 1.62 H new ATOM 0 HB2 TYR A 85 3.064 2.667 3.911 1.00 2.04 H new ATOM 0 HB3 TYR A 85 1.450 2.020 4.132 1.00 2.04 H new ATOM 0 HD1 TYR A 85 -0.444 2.831 2.782 1.00 1.99 H new ATOM 0 HD2 TYR A 85 3.562 4.253 2.098 1.00 2.74 H new ATOM 0 HE1 TYR A 85 -1.116 3.602 0.518 1.00 1.92 H new ATOM 0 HE2 TYR A 85 2.922 4.936 -0.206 1.00 3.12 H new ATOM 0 HH TYR A 85 0.376 5.622 -1.331 1.00 2.77 H new TER 1173 TYR A 85