USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 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 -168:sc= -0.35 (180deg=-0.858) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 30 ASN : amide:sc= 1.11 X(o=1.1,f=1.1) 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 -106:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.0319 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= -0.0717 X(o=-0.072,f=-0.087) USER MOD Single : A 52 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.41) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -177:sc= -0.0282 (180deg=-0.0416) USER MOD Single : A 69 THR OG1 : rot -81:sc= 1.15 USER MOD Single : A 82 ASN : amide:sc= 0.72 K(o=0.72,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -4.647 -2.494 -2.306 0.49 2.56 N ATOM 2 CA ASN A 14 -3.808 -1.684 -3.214 0.49 2.32 C ATOM 3 C ASN A 14 -2.353 -1.745 -2.755 0.49 2.18 C ATOM 4 O ASN A 14 -2.047 -1.176 -1.709 0.49 2.32 O ATOM 5 CB ASN A 14 -4.325 -0.234 -3.297 0.49 2.91 C ATOM 6 CG ASN A 14 -3.447 0.668 -4.157 0.49 2.90 C ATOM 7 OD1 ASN A 14 -2.733 1.530 -3.659 0.49 4.02 O ATOM 8 ND2 ASN A 14 -3.477 0.507 -5.462 0.49 2.81 N ATOM 0 HA ASN A 14 -3.866 -2.096 -4.221 0.49 2.32 H new ATOM 0 HB2 ASN A 14 -5.337 -0.238 -3.702 0.49 2.91 H new ATOM 0 HB3 ASN A 14 -4.386 0.181 -2.291 0.49 2.91 H new ATOM 0 HD21 ASN A 14 -2.905 1.101 -6.062 0.49 2.81 H new ATOM 0 HD22 ASN A 14 -4.072 -0.212 -5.874 0.49 2.81 H new ATOM 15 N PRO A 15 -1.457 -2.435 -3.485 0.49 2.04 N ATOM 16 CA PRO A 15 -0.013 -2.389 -3.255 0.49 2.03 C ATOM 17 C PRO A 15 0.628 -1.149 -3.903 0.49 1.58 C ATOM 18 O PRO A 15 0.194 -0.694 -4.965 0.49 1.51 O ATOM 19 CB PRO A 15 0.521 -3.694 -3.850 0.49 2.44 C ATOM 20 CG PRO A 15 -0.430 -3.961 -5.015 0.49 2.33 C ATOM 21 CD PRO A 15 -1.768 -3.407 -4.525 0.49 2.13 C ATOM 0 HA PRO A 15 0.230 -2.303 -2.196 0.49 2.03 H new ATOM 0 HB2 PRO A 15 1.552 -3.590 -4.188 0.49 2.44 H new ATOM 0 HB3 PRO A 15 0.504 -4.505 -3.122 0.49 2.44 H new ATOM 0 HG2 PRO A 15 -0.099 -3.461 -5.925 0.49 2.33 H new ATOM 0 HG3 PRO A 15 -0.496 -5.025 -5.242 0.49 2.33 H new ATOM 0 HD2 PRO A 15 -2.317 -2.939 -5.342 0.49 2.13 H new ATOM 0 HD3 PRO A 15 -2.399 -4.205 -4.134 0.49 2.13 H new ATOM 29 N CYS A 16 1.691 -0.623 -3.284 1.00 1.53 N ATOM 30 CA CYS A 16 2.292 0.665 -3.646 1.00 1.24 C ATOM 31 C CYS A 16 3.357 0.557 -4.762 1.00 1.28 C ATOM 32 O CYS A 16 4.561 0.723 -4.532 1.00 1.13 O ATOM 33 CB CYS A 16 2.800 1.356 -2.372 1.00 1.14 C ATOM 34 SG CYS A 16 1.514 2.216 -1.425 1.00 1.10 S ATOM 0 H CYS A 16 2.164 -1.086 -2.508 1.00 1.53 H new ATOM 0 HA CYS A 16 1.522 1.294 -4.094 1.00 1.24 H new ATOM 0 HB2 CYS A 16 3.269 0.610 -1.731 1.00 1.14 H new ATOM 0 HB3 CYS A 16 3.574 2.073 -2.646 1.00 1.14 H new ATOM 39 N LEU A 17 2.902 0.318 -5.994 1.00 1.59 N ATOM 40 CA LEU A 17 3.716 0.300 -7.221 1.00 1.72 C ATOM 41 C LEU A 17 4.541 1.589 -7.423 1.00 1.64 C ATOM 42 O LEU A 17 5.633 1.526 -7.989 1.00 1.67 O ATOM 43 CB LEU A 17 2.778 0.065 -8.426 1.00 2.02 C ATOM 44 CG LEU A 17 2.526 -1.404 -8.824 1.00 2.20 C ATOM 45 CD1 LEU A 17 3.739 -2.004 -9.533 1.00 2.38 C ATOM 46 CD2 LEU A 17 2.167 -2.318 -7.651 1.00 3.21 C ATOM 0 H LEU A 17 1.917 0.123 -6.176 1.00 1.59 H new ATOM 0 HA LEU A 17 4.443 -0.508 -7.131 1.00 1.72 H new ATOM 0 HB2 LEU A 17 1.817 0.529 -8.206 1.00 2.02 H new ATOM 0 HB3 LEU A 17 3.193 0.586 -9.289 1.00 2.02 H new ATOM 0 HG LEU A 17 1.666 -1.359 -9.492 1.00 2.20 H new ATOM 0 HD11 LEU A 17 3.529 -3.040 -9.800 1.00 2.38 H new ATOM 0 HD12 LEU A 17 3.952 -1.432 -10.436 1.00 2.38 H new ATOM 0 HD13 LEU A 17 4.603 -1.969 -8.869 1.00 2.38 H new ATOM 0 HD21 LEU A 17 2.006 -3.332 -8.016 1.00 3.21 H new ATOM 0 HD22 LEU A 17 2.982 -2.318 -6.927 1.00 3.21 H new ATOM 0 HD23 LEU A 17 1.257 -1.956 -7.173 1.00 3.21 H new ATOM 58 N SER A 18 4.071 2.730 -6.911 1.00 1.59 N ATOM 59 CA SER A 18 4.764 4.028 -6.925 1.00 1.60 C ATOM 60 C SER A 18 6.029 4.033 -6.069 1.00 1.39 C ATOM 61 O SER A 18 7.094 4.422 -6.550 1.00 1.47 O ATOM 62 CB SER A 18 3.836 5.104 -6.363 1.00 1.74 C ATOM 63 OG SER A 18 2.719 5.268 -7.211 1.00 1.91 O ATOM 0 H SER A 18 3.160 2.780 -6.456 1.00 1.59 H new ATOM 0 HA SER A 18 5.040 4.221 -7.962 1.00 1.60 H new ATOM 0 HB2 SER A 18 3.506 4.825 -5.362 1.00 1.74 H new ATOM 0 HB3 SER A 18 4.374 6.047 -6.270 1.00 1.74 H new ATOM 0 HG SER A 18 2.128 5.958 -6.844 1.00 1.91 H new ATOM 69 N GLU A 19 5.931 3.549 -4.823 1.00 1.22 N ATOM 70 CA GLU A 19 7.093 3.373 -3.945 1.00 1.06 C ATOM 71 C GLU A 19 8.014 2.280 -4.506 1.00 0.97 C ATOM 72 O GLU A 19 9.230 2.422 -4.423 1.00 0.90 O ATOM 73 CB GLU A 19 6.671 3.016 -2.505 1.00 1.05 C ATOM 74 CG GLU A 19 5.803 4.057 -1.777 1.00 1.55 C ATOM 75 CD GLU A 19 6.519 5.393 -1.524 1.00 1.34 C ATOM 76 OE1 GLU A 19 7.283 5.516 -0.537 1.00 2.00 O ATOM 77 OE2 GLU A 19 6.273 6.349 -2.299 1.00 2.19 O ATOM 0 H GLU A 19 5.047 3.270 -4.398 1.00 1.22 H new ATOM 0 HA GLU A 19 7.630 4.321 -3.910 1.00 1.06 H new ATOM 0 HB2 GLU A 19 6.126 2.072 -2.531 1.00 1.05 H new ATOM 0 HB3 GLU A 19 7.572 2.847 -1.915 1.00 1.05 H new ATOM 0 HG2 GLU A 19 4.904 4.243 -2.365 1.00 1.55 H new ATOM 0 HG3 GLU A 19 5.479 3.643 -0.822 1.00 1.55 H new ATOM 84 N SER A 20 7.454 1.244 -5.148 1.00 1.08 N ATOM 85 CA SER A 20 8.247 0.179 -5.806 1.00 1.17 C ATOM 86 C SER A 20 9.063 0.716 -7.001 1.00 1.29 C ATOM 87 O SER A 20 10.232 0.367 -7.192 1.00 1.30 O ATOM 88 CB SER A 20 7.309 -0.966 -6.219 1.00 1.40 C ATOM 89 OG SER A 20 7.972 -2.051 -6.840 1.00 1.78 O ATOM 0 H SER A 20 6.445 1.115 -5.229 1.00 1.08 H new ATOM 0 HA SER A 20 8.979 -0.203 -5.095 1.00 1.17 H new ATOM 0 HB2 SER A 20 6.785 -1.330 -5.336 1.00 1.40 H new ATOM 0 HB3 SER A 20 6.553 -0.576 -6.900 1.00 1.40 H new ATOM 0 HG SER A 20 7.319 -2.743 -7.075 1.00 1.78 H new ATOM 95 N ASP A 21 8.491 1.653 -7.761 1.00 1.40 N ATOM 96 CA ASP A 21 9.156 2.361 -8.858 1.00 1.55 C ATOM 97 C ASP A 21 10.223 3.346 -8.336 1.00 1.43 C ATOM 98 O ASP A 21 11.350 3.339 -8.829 1.00 1.50 O ATOM 99 CB ASP A 21 8.062 3.037 -9.701 1.00 1.83 C ATOM 100 CG ASP A 21 8.587 3.852 -10.880 1.00 2.03 C ATOM 101 OD1 ASP A 21 8.863 3.279 -11.959 1.00 2.93 O ATOM 102 OD2 ASP A 21 8.635 5.098 -10.774 1.00 2.28 O ATOM 0 H ASP A 21 7.524 1.949 -7.626 1.00 1.40 H new ATOM 0 HA ASP A 21 9.710 1.665 -9.488 1.00 1.55 H new ATOM 0 HB2 ASP A 21 7.385 2.270 -10.078 1.00 1.83 H new ATOM 0 HB3 ASP A 21 7.475 3.691 -9.056 1.00 1.83 H new ATOM 107 N ALA A 22 9.921 4.136 -7.297 1.00 1.30 N ATOM 108 CA ALA A 22 10.853 5.102 -6.693 1.00 1.27 C ATOM 109 C ALA A 22 12.052 4.423 -5.993 1.00 1.04 C ATOM 110 O ALA A 22 13.192 4.879 -6.119 1.00 1.15 O ATOM 111 CB ALA A 22 10.065 5.995 -5.729 1.00 1.29 C ATOM 0 H ALA A 22 9.007 4.123 -6.844 1.00 1.30 H new ATOM 0 HA ALA A 22 11.292 5.707 -7.486 1.00 1.27 H new ATOM 0 HB1 ALA A 22 10.739 6.719 -5.270 1.00 1.29 H new ATOM 0 HB2 ALA A 22 9.285 6.523 -6.277 1.00 1.29 H new ATOM 0 HB3 ALA A 22 9.610 5.380 -4.952 1.00 1.29 H new ATOM 117 N SER A 23 11.801 3.295 -5.325 1.00 0.79 N ATOM 118 CA SER A 23 12.792 2.305 -4.875 1.00 0.69 C ATOM 119 C SER A 23 13.664 1.798 -6.029 1.00 0.80 C ATOM 120 O SER A 23 14.884 1.924 -5.986 1.00 0.79 O ATOM 121 CB SER A 23 12.030 1.134 -4.253 1.00 0.65 C ATOM 122 OG SER A 23 12.846 0.135 -3.679 1.00 1.36 O ATOM 0 H SER A 23 10.850 3.030 -5.068 1.00 0.79 H new ATOM 0 HA SER A 23 13.460 2.774 -4.153 1.00 0.69 H new ATOM 0 HB2 SER A 23 11.360 1.521 -3.486 1.00 0.65 H new ATOM 0 HB3 SER A 23 11.405 0.677 -5.020 1.00 0.65 H new ATOM 0 HG SER A 23 12.282 -0.573 -3.304 1.00 1.36 H new ATOM 128 N THR A 24 13.069 1.317 -7.123 1.00 1.04 N ATOM 129 CA THR A 24 13.818 0.817 -8.295 1.00 1.30 C ATOM 130 C THR A 24 14.699 1.910 -8.940 1.00 1.45 C ATOM 131 O THR A 24 15.843 1.646 -9.328 1.00 1.53 O ATOM 132 CB THR A 24 12.831 0.181 -9.287 1.00 1.68 C ATOM 133 OG1 THR A 24 12.205 -0.914 -8.646 1.00 1.77 O ATOM 134 CG2 THR A 24 13.483 -0.387 -10.542 1.00 1.89 C ATOM 0 H THR A 24 12.056 1.260 -7.229 1.00 1.04 H new ATOM 0 HA THR A 24 14.520 0.050 -7.968 1.00 1.30 H new ATOM 0 HB THR A 24 12.149 0.977 -9.586 1.00 1.68 H new ATOM 0 HG1 THR A 24 11.461 -0.590 -8.097 1.00 1.77 H new ATOM 0 HG21 THR A 24 12.717 -0.816 -11.188 1.00 1.89 H new ATOM 0 HG22 THR A 24 14.002 0.410 -11.075 1.00 1.89 H new ATOM 0 HG23 THR A 24 14.197 -1.161 -10.262 1.00 1.89 H new ATOM 142 N ARG A 25 14.222 3.165 -8.951 1.00 1.54 N ATOM 143 CA ARG A 25 14.980 4.369 -9.349 1.00 1.73 C ATOM 144 C ARG A 25 16.127 4.695 -8.383 1.00 1.59 C ATOM 145 O ARG A 25 17.236 4.977 -8.843 1.00 1.72 O ATOM 146 CB ARG A 25 13.996 5.549 -9.501 1.00 1.97 C ATOM 147 CG ARG A 25 13.144 5.420 -10.777 1.00 2.46 C ATOM 148 CD ARG A 25 11.731 6.005 -10.658 1.00 2.47 C ATOM 149 NE ARG A 25 11.699 7.458 -10.440 1.00 2.68 N ATOM 150 CZ ARG A 25 10.634 8.231 -10.543 1.00 3.79 C ATOM 151 NH1 ARG A 25 9.460 7.755 -10.821 1.00 4.49 N ATOM 152 NH2 ARG A 25 10.745 9.511 -10.348 1.00 4.92 N ATOM 0 H ARG A 25 13.264 3.380 -8.674 1.00 1.54 H new ATOM 0 HA ARG A 25 15.462 4.175 -10.307 1.00 1.73 H new ATOM 0 HB2 ARG A 25 13.342 5.592 -8.630 1.00 1.97 H new ATOM 0 HB3 ARG A 25 14.553 6.486 -9.528 1.00 1.97 H new ATOM 0 HG2 ARG A 25 13.662 5.918 -11.597 1.00 2.46 H new ATOM 0 HG3 ARG A 25 13.066 4.366 -11.042 1.00 2.46 H new ATOM 0 HD2 ARG A 25 11.176 5.773 -11.567 1.00 2.47 H new ATOM 0 HD3 ARG A 25 11.214 5.513 -9.834 1.00 2.47 H new ATOM 0 HE ARG A 25 12.578 7.909 -10.187 1.00 2.68 H new ATOM 0 HH11 ARG A 25 9.338 6.753 -10.968 1.00 4.49 H new ATOM 0 HH12 ARG A 25 8.659 8.383 -10.893 1.00 4.49 H new ATOM 0 HH21 ARG A 25 11.653 9.915 -10.116 1.00 4.92 H new ATOM 0 HH22 ARG A 25 9.925 10.112 -10.427 1.00 4.92 H new ATOM 166 N CYS A 26 15.907 4.582 -7.068 1.00 1.36 N ATOM 167 CA CYS A 26 16.968 4.671 -6.055 1.00 1.27 C ATOM 168 C CYS A 26 18.060 3.623 -6.320 1.00 1.18 C ATOM 169 O CYS A 26 19.245 3.930 -6.344 1.00 1.30 O ATOM 170 CB CYS A 26 16.374 4.502 -4.639 1.00 1.12 C ATOM 171 SG CYS A 26 17.617 4.221 -3.347 1.00 1.11 S ATOM 0 H CYS A 26 14.980 4.425 -6.672 1.00 1.36 H new ATOM 0 HA CYS A 26 17.426 5.658 -6.119 1.00 1.27 H new ATOM 0 HB2 CYS A 26 15.799 5.394 -4.388 1.00 1.12 H new ATOM 0 HB3 CYS A 26 15.676 3.665 -4.646 1.00 1.12 H new ATOM 176 N LEU A 27 17.670 2.380 -6.572 1.00 1.04 N ATOM 177 CA LEU A 27 18.566 1.247 -6.807 1.00 1.04 C ATOM 178 C LEU A 27 19.414 1.385 -8.077 1.00 1.25 C ATOM 179 O LEU A 27 20.593 1.025 -8.084 1.00 1.36 O ATOM 180 CB LEU A 27 17.667 0.014 -6.845 1.00 0.98 C ATOM 181 CG LEU A 27 17.417 -0.567 -5.450 1.00 0.82 C ATOM 182 CD1 LEU A 27 17.307 0.351 -4.229 1.00 0.69 C ATOM 183 CD2 LEU A 27 16.144 -1.412 -5.498 1.00 0.86 C ATOM 0 H LEU A 27 16.685 2.120 -6.621 1.00 1.04 H new ATOM 0 HA LEU A 27 19.309 1.182 -6.013 1.00 1.04 H new ATOM 0 HB2 LEU A 27 16.713 0.277 -7.303 1.00 0.98 H new ATOM 0 HB3 LEU A 27 18.125 -0.747 -7.476 1.00 0.98 H new ATOM 0 HG LEU A 27 18.349 -1.102 -5.268 1.00 0.82 H new ATOM 0 HD11 LEU A 27 17.130 -0.250 -3.337 1.00 0.69 H new ATOM 0 HD12 LEU A 27 18.234 0.912 -4.111 1.00 0.69 H new ATOM 0 HD13 LEU A 27 16.479 1.045 -4.369 1.00 0.69 H new ATOM 0 HD21 LEU A 27 15.950 -1.834 -4.512 1.00 0.86 H new ATOM 0 HD22 LEU A 27 15.303 -0.786 -5.796 1.00 0.86 H new ATOM 0 HD23 LEU A 27 16.270 -2.219 -6.220 1.00 0.86 H new ATOM 195 N ASP A 28 18.833 1.961 -9.124 1.00 1.37 N ATOM 196 CA ASP A 28 19.591 2.461 -10.288 1.00 1.56 C ATOM 197 C ASP A 28 20.565 3.614 -9.939 1.00 1.60 C ATOM 198 O ASP A 28 21.673 3.651 -10.473 1.00 1.71 O ATOM 199 CB ASP A 28 18.643 2.858 -11.428 1.00 1.75 C ATOM 200 CG ASP A 28 19.423 3.291 -12.676 1.00 1.99 C ATOM 201 OD1 ASP A 28 20.004 2.418 -13.365 1.00 2.94 O ATOM 202 OD2 ASP A 28 19.481 4.513 -12.963 1.00 2.31 O ATOM 0 H ASP A 28 17.825 2.099 -9.199 1.00 1.37 H new ATOM 0 HA ASP A 28 20.216 1.634 -10.625 1.00 1.56 H new ATOM 0 HB2 ASP A 28 17.995 2.017 -11.675 1.00 1.75 H new ATOM 0 HB3 ASP A 28 17.997 3.672 -11.100 1.00 1.75 H new ATOM 207 N GLU A 29 20.198 4.527 -9.031 1.00 1.56 N ATOM 208 CA GLU A 29 21.050 5.629 -8.542 1.00 1.65 C ATOM 209 C GLU A 29 22.227 5.238 -7.630 1.00 1.52 C ATOM 210 O GLU A 29 23.208 5.985 -7.562 1.00 1.62 O ATOM 211 CB GLU A 29 20.165 6.615 -7.757 1.00 1.78 C ATOM 212 CG GLU A 29 20.004 7.948 -8.494 1.00 2.04 C ATOM 213 CD GLU A 29 21.267 8.814 -8.396 1.00 2.40 C ATOM 214 OE1 GLU A 29 21.448 9.490 -7.354 1.00 2.45 O ATOM 215 OE2 GLU A 29 22.090 8.821 -9.345 1.00 3.51 O ATOM 0 H GLU A 29 19.273 4.523 -8.601 1.00 1.56 H new ATOM 0 HA GLU A 29 21.501 6.049 -9.441 1.00 1.65 H new ATOM 0 HB2 GLU A 29 19.184 6.170 -7.592 1.00 1.78 H new ATOM 0 HB3 GLU A 29 20.603 6.794 -6.775 1.00 1.78 H new ATOM 0 HG2 GLU A 29 19.775 7.757 -9.543 1.00 2.04 H new ATOM 0 HG3 GLU A 29 19.157 8.493 -8.077 1.00 2.04 H new ATOM 222 N ASN A 30 22.106 4.150 -6.866 1.00 1.43 N ATOM 223 CA ASN A 30 23.079 3.721 -5.867 1.00 1.40 C ATOM 224 C ASN A 30 23.239 2.184 -5.821 1.00 1.33 C ATOM 225 O ASN A 30 22.821 1.529 -4.867 1.00 1.42 O ATOM 226 CB ASN A 30 22.703 4.350 -4.508 1.00 1.42 C ATOM 227 CG ASN A 30 21.231 4.270 -4.140 1.00 1.37 C ATOM 228 OD1 ASN A 30 20.563 5.271 -3.931 1.00 1.51 O ATOM 229 ND2 ASN A 30 20.683 3.082 -4.061 1.00 1.22 N ATOM 0 H ASN A 30 21.302 3.526 -6.930 1.00 1.43 H new ATOM 0 HA ASN A 30 24.070 4.081 -6.144 1.00 1.40 H new ATOM 0 HB2 ASN A 30 23.283 3.859 -3.726 1.00 1.42 H new ATOM 0 HB3 ASN A 30 23.002 5.398 -4.516 1.00 1.42 H new ATOM 0 HD21 ASN A 30 19.695 2.991 -3.824 1.00 1.22 H new ATOM 0 HD22 ASN A 30 21.244 2.249 -4.236 1.00 1.22 H new ATOM 236 N ASN A 31 23.855 1.599 -6.848 1.00 1.32 N ATOM 237 CA ASN A 31 24.499 0.274 -6.826 1.00 1.32 C ATOM 238 C ASN A 31 23.615 -0.906 -6.334 1.00 1.27 C ATOM 239 O ASN A 31 24.122 -1.871 -5.750 1.00 1.36 O ATOM 240 CB ASN A 31 25.855 0.394 -6.090 1.00 1.46 C ATOM 241 CG ASN A 31 26.705 1.568 -6.563 1.00 2.72 C ATOM 242 OD1 ASN A 31 27.226 1.592 -7.670 1.00 3.40 O ATOM 243 ND2 ASN A 31 26.891 2.581 -5.751 1.00 3.87 N ATOM 0 H ASN A 31 23.925 2.050 -7.760 1.00 1.32 H new ATOM 0 HA ASN A 31 24.672 -0.016 -7.862 1.00 1.32 H new ATOM 0 HB2 ASN A 31 25.670 0.498 -5.021 1.00 1.46 H new ATOM 0 HB3 ASN A 31 26.417 -0.530 -6.229 1.00 1.46 H new ATOM 0 HD21 ASN A 31 27.463 3.373 -6.046 1.00 3.87 H new ATOM 0 HD22 ASN A 31 26.464 2.577 -4.825 1.00 3.87 H new ATOM 250 N TYR A 32 22.296 -0.830 -6.552 1.00 1.22 N ATOM 251 CA TYR A 32 21.259 -1.745 -6.038 1.00 1.16 C ATOM 252 C TYR A 32 21.212 -1.892 -4.496 1.00 1.05 C ATOM 253 O TYR A 32 20.951 -2.966 -3.950 1.00 1.23 O ATOM 254 CB TYR A 32 21.220 -3.070 -6.828 1.00 1.41 C ATOM 255 CG TYR A 32 19.821 -3.487 -7.262 1.00 1.55 C ATOM 256 CD1 TYR A 32 18.836 -3.827 -6.311 1.00 2.45 C ATOM 257 CD2 TYR A 32 19.488 -3.500 -8.633 1.00 2.31 C ATOM 258 CE1 TYR A 32 17.540 -4.182 -6.726 1.00 2.66 C ATOM 259 CE2 TYR A 32 18.187 -3.841 -9.049 1.00 2.61 C ATOM 260 CZ TYR A 32 17.202 -4.171 -8.095 1.00 2.23 C ATOM 261 OH TYR A 32 15.927 -4.445 -8.479 1.00 2.68 O ATOM 0 H TYR A 32 21.897 -0.086 -7.125 1.00 1.22 H new ATOM 0 HA TYR A 32 20.306 -1.254 -6.236 1.00 1.16 H new ATOM 0 HB2 TYR A 32 21.851 -2.974 -7.712 1.00 1.41 H new ATOM 0 HB3 TYR A 32 21.650 -3.861 -6.214 1.00 1.41 H new ATOM 0 HD1 TYR A 32 19.078 -3.815 -5.259 1.00 2.45 H new ATOM 0 HD2 TYR A 32 20.237 -3.246 -9.369 1.00 2.31 H new ATOM 0 HE1 TYR A 32 16.800 -4.465 -5.992 1.00 2.66 H new ATOM 0 HE2 TYR A 32 17.943 -3.850 -10.101 1.00 2.61 H new ATOM 0 HH TYR A 32 15.861 -4.395 -9.456 1.00 2.68 H new ATOM 271 N ASP A 33 21.437 -0.787 -3.778 1.00 0.90 N ATOM 272 CA ASP A 33 21.452 -0.683 -2.313 1.00 0.91 C ATOM 273 C ASP A 33 20.046 -0.658 -1.687 1.00 0.84 C ATOM 274 O ASP A 33 19.578 0.304 -1.067 1.00 0.88 O ATOM 275 CB ASP A 33 22.309 0.506 -1.870 1.00 1.06 C ATOM 276 CG ASP A 33 22.523 0.536 -0.356 1.00 1.35 C ATOM 277 OD1 ASP A 33 22.134 -0.413 0.367 1.00 1.85 O ATOM 278 OD2 ASP A 33 23.142 1.518 0.116 1.00 2.30 O ATOM 0 H ASP A 33 21.624 0.109 -4.227 1.00 0.90 H new ATOM 0 HA ASP A 33 21.912 -1.595 -1.932 1.00 0.91 H new ATOM 0 HB2 ASP A 33 23.276 0.460 -2.370 1.00 1.06 H new ATOM 0 HB3 ASP A 33 21.831 1.433 -2.185 1.00 1.06 H new ATOM 283 N ARG A 34 19.379 -1.795 -1.835 1.00 0.85 N ATOM 284 CA ARG A 34 18.108 -2.135 -1.174 1.00 0.91 C ATOM 285 C ARG A 34 18.201 -2.393 0.341 1.00 0.94 C ATOM 286 O ARG A 34 17.212 -2.809 0.938 1.00 0.93 O ATOM 287 CB ARG A 34 17.404 -3.254 -1.956 1.00 1.18 C ATOM 288 CG ARG A 34 18.174 -4.580 -1.984 1.00 1.59 C ATOM 289 CD ARG A 34 17.387 -5.600 -2.808 1.00 2.21 C ATOM 290 NE ARG A 34 18.136 -6.860 -2.915 1.00 2.65 N ATOM 291 CZ ARG A 34 17.709 -8.076 -2.634 1.00 3.28 C ATOM 292 NH1 ARG A 34 16.518 -8.338 -2.182 1.00 3.74 N ATOM 293 NH2 ARG A 34 18.504 -9.084 -2.810 1.00 4.28 N ATOM 0 H ARG A 34 19.716 -2.542 -2.442 1.00 0.85 H new ATOM 0 HA ARG A 34 17.484 -1.242 -1.209 1.00 0.91 H new ATOM 0 HB2 ARG A 34 16.421 -3.426 -1.517 1.00 1.18 H new ATOM 0 HB3 ARG A 34 17.241 -2.919 -2.980 1.00 1.18 H new ATOM 0 HG2 ARG A 34 19.163 -4.431 -2.416 1.00 1.59 H new ATOM 0 HG3 ARG A 34 18.322 -4.950 -0.970 1.00 1.59 H new ATOM 0 HD2 ARG A 34 16.419 -5.784 -2.342 1.00 2.21 H new ATOM 0 HD3 ARG A 34 17.192 -5.200 -3.803 1.00 2.21 H new ATOM 0 HE ARG A 34 19.098 -6.785 -3.245 1.00 2.65 H new ATOM 0 HH11 ARG A 34 15.854 -7.580 -2.026 1.00 3.74 H new ATOM 0 HH12 ARG A 34 16.248 -9.302 -1.984 1.00 3.74 H new ATOM 0 HH21 ARG A 34 19.449 -8.933 -3.162 1.00 4.28 H new ATOM 0 HH22 ARG A 34 18.185 -10.029 -2.596 1.00 4.28 H new ATOM 307 N GLU A 35 19.341 -2.120 0.984 1.00 1.15 N ATOM 308 CA GLU A 35 19.445 -2.024 2.454 1.00 1.32 C ATOM 309 C GLU A 35 19.192 -0.591 2.941 1.00 1.30 C ATOM 310 O GLU A 35 18.465 -0.397 3.920 1.00 1.39 O ATOM 311 CB GLU A 35 20.811 -2.522 2.945 1.00 1.61 C ATOM 312 CG GLU A 35 20.920 -4.048 2.865 1.00 1.73 C ATOM 313 CD GLU A 35 22.349 -4.492 3.169 1.00 2.32 C ATOM 314 OE1 GLU A 35 23.165 -4.532 2.217 1.00 3.26 O ATOM 315 OE2 GLU A 35 22.682 -4.792 4.342 1.00 3.02 O ATOM 0 H GLU A 35 20.225 -1.958 0.502 1.00 1.15 H new ATOM 0 HA GLU A 35 18.672 -2.666 2.877 1.00 1.32 H new ATOM 0 HB2 GLU A 35 21.601 -2.069 2.345 1.00 1.61 H new ATOM 0 HB3 GLU A 35 20.967 -2.199 3.974 1.00 1.61 H new ATOM 0 HG2 GLU A 35 20.231 -4.507 3.574 1.00 1.73 H new ATOM 0 HG3 GLU A 35 20.629 -4.389 1.871 1.00 1.73 H new ATOM 322 N ARG A 36 19.703 0.429 2.234 1.00 1.26 N ATOM 323 CA ARG A 36 19.373 1.847 2.497 1.00 1.31 C ATOM 324 C ARG A 36 18.024 2.250 1.894 1.00 1.18 C ATOM 325 O ARG A 36 17.248 2.939 2.548 1.00 1.37 O ATOM 326 CB ARG A 36 20.517 2.758 2.019 1.00 1.38 C ATOM 327 CG ARG A 36 21.607 3.019 3.080 1.00 1.82 C ATOM 328 CD ARG A 36 22.204 1.787 3.780 1.00 1.94 C ATOM 329 NE ARG A 36 23.006 0.940 2.882 1.00 2.66 N ATOM 330 CZ ARG A 36 23.778 -0.073 3.234 1.00 3.63 C ATOM 331 NH1 ARG A 36 23.865 -0.502 4.457 1.00 4.32 N ATOM 332 NH2 ARG A 36 24.489 -0.696 2.342 1.00 4.94 N ATOM 0 H ARG A 36 20.357 0.299 1.463 1.00 1.26 H new ATOM 0 HA ARG A 36 19.268 1.973 3.575 1.00 1.31 H new ATOM 0 HB2 ARG A 36 20.981 2.308 1.141 1.00 1.38 H new ATOM 0 HB3 ARG A 36 20.097 3.713 1.704 1.00 1.38 H new ATOM 0 HG2 ARG A 36 22.420 3.566 2.603 1.00 1.82 H new ATOM 0 HG3 ARG A 36 21.187 3.673 3.844 1.00 1.82 H new ATOM 0 HD2 ARG A 36 22.828 2.116 4.611 1.00 1.94 H new ATOM 0 HD3 ARG A 36 21.396 1.191 4.205 1.00 1.94 H new ATOM 0 HE ARG A 36 22.961 1.157 1.886 1.00 2.66 H new ATOM 0 HH11 ARG A 36 23.323 -0.053 5.195 1.00 4.32 H new ATOM 0 HH12 ARG A 36 24.476 -1.288 4.679 1.00 4.32 H new ATOM 0 HH21 ARG A 36 24.453 -0.403 1.366 1.00 4.94 H new ATOM 0 HH22 ARG A 36 25.083 -1.477 2.618 1.00 4.94 H new ATOM 346 N CYS A 37 17.671 1.742 0.712 1.00 0.98 N ATOM 347 CA CYS A 37 16.313 1.865 0.155 1.00 0.82 C ATOM 348 C CYS A 37 15.377 0.701 0.554 1.00 0.71 C ATOM 349 O CYS A 37 14.362 0.458 -0.100 1.00 0.62 O ATOM 350 CB CYS A 37 16.385 2.215 -1.341 1.00 0.75 C ATOM 351 SG CYS A 37 16.622 4.001 -1.586 1.00 1.06 S ATOM 0 H CYS A 37 18.316 1.232 0.109 1.00 0.98 H new ATOM 0 HA CYS A 37 15.808 2.711 0.622 1.00 0.82 H new ATOM 0 HB2 CYS A 37 17.206 1.669 -1.806 1.00 0.75 H new ATOM 0 HB3 CYS A 37 15.468 1.895 -1.837 1.00 0.75 H new ATOM 356 N SER A 38 15.665 0.019 1.672 1.00 0.84 N ATOM 357 CA SER A 38 14.725 -0.902 2.344 1.00 0.86 C ATOM 358 C SER A 38 13.463 -0.187 2.851 1.00 0.87 C ATOM 359 O SER A 38 12.395 -0.791 2.913 1.00 0.85 O ATOM 360 CB SER A 38 15.405 -1.576 3.543 1.00 1.12 C ATOM 361 OG SER A 38 15.874 -0.602 4.461 1.00 2.57 O ATOM 0 H SER A 38 16.567 0.089 2.144 1.00 0.84 H new ATOM 0 HA SER A 38 14.432 -1.640 1.598 1.00 0.86 H new ATOM 0 HB2 SER A 38 14.701 -2.243 4.040 1.00 1.12 H new ATOM 0 HB3 SER A 38 16.237 -2.190 3.199 1.00 1.12 H new ATOM 0 HG SER A 38 16.849 -0.533 4.395 1.00 2.57 H new ATOM 367 N THR A 39 13.565 1.114 3.154 1.00 0.95 N ATOM 368 CA THR A 39 12.467 1.962 3.650 1.00 0.98 C ATOM 369 C THR A 39 11.234 1.909 2.755 1.00 0.78 C ATOM 370 O THR A 39 10.115 1.748 3.234 1.00 0.76 O ATOM 371 CB THR A 39 12.923 3.424 3.784 1.00 1.19 C ATOM 372 OG1 THR A 39 13.440 3.907 2.563 1.00 2.36 O ATOM 373 CG2 THR A 39 14.038 3.579 4.810 1.00 1.74 C ATOM 0 H THR A 39 14.443 1.625 3.058 1.00 0.95 H new ATOM 0 HA THR A 39 12.195 1.564 4.627 1.00 0.98 H new ATOM 0 HB THR A 39 12.039 3.983 4.091 1.00 1.19 H new ATOM 0 HG1 THR A 39 12.702 4.091 1.945 1.00 2.36 H new ATOM 0 HG21 THR A 39 14.331 4.627 4.874 1.00 1.74 H new ATOM 0 HG22 THR A 39 13.685 3.241 5.784 1.00 1.74 H new ATOM 0 HG23 THR A 39 14.897 2.980 4.507 1.00 1.74 H new ATOM 381 N TYR A 40 11.445 1.954 1.443 1.00 0.70 N ATOM 382 CA TYR A 40 10.398 1.834 0.429 1.00 0.60 C ATOM 383 C TYR A 40 9.690 0.476 0.474 1.00 0.54 C ATOM 384 O TYR A 40 8.462 0.424 0.478 1.00 0.61 O ATOM 385 CB TYR A 40 11.011 2.032 -0.957 1.00 0.58 C ATOM 386 CG TYR A 40 11.531 3.427 -1.224 1.00 0.74 C ATOM 387 CD1 TYR A 40 12.768 3.846 -0.697 1.00 1.52 C ATOM 388 CD2 TYR A 40 10.758 4.313 -1.997 1.00 2.18 C ATOM 389 CE1 TYR A 40 13.223 5.158 -0.925 1.00 1.54 C ATOM 390 CE2 TYR A 40 11.209 5.623 -2.229 1.00 2.37 C ATOM 391 CZ TYR A 40 12.436 6.055 -1.678 1.00 1.20 C ATOM 392 OH TYR A 40 12.835 7.345 -1.811 1.00 1.46 O ATOM 0 H TYR A 40 12.375 2.078 1.043 1.00 0.70 H new ATOM 0 HA TYR A 40 9.653 2.602 0.638 1.00 0.60 H new ATOM 0 HB2 TYR A 40 11.830 1.323 -1.082 1.00 0.58 H new ATOM 0 HB3 TYR A 40 10.261 1.788 -1.709 1.00 0.58 H new ATOM 0 HD1 TYR A 40 13.368 3.160 -0.117 1.00 1.52 H new ATOM 0 HD2 TYR A 40 9.817 3.985 -2.413 1.00 2.18 H new ATOM 0 HE1 TYR A 40 14.173 5.478 -0.524 1.00 1.54 H new ATOM 0 HE2 TYR A 40 10.618 6.300 -2.828 1.00 2.37 H new ATOM 0 HH TYR A 40 12.186 7.833 -2.359 1.00 1.46 H new ATOM 402 N PHE A 41 10.448 -0.621 0.558 1.00 0.51 N ATOM 403 CA PHE A 41 9.901 -1.979 0.628 1.00 0.56 C ATOM 404 C PHE A 41 9.108 -2.199 1.929 1.00 0.67 C ATOM 405 O PHE A 41 8.027 -2.787 1.913 1.00 0.76 O ATOM 406 CB PHE A 41 11.061 -2.973 0.458 1.00 0.62 C ATOM 407 CG PHE A 41 10.715 -4.454 0.428 1.00 1.65 C ATOM 408 CD1 PHE A 41 9.520 -4.923 -0.156 1.00 2.90 C ATOM 409 CD2 PHE A 41 11.642 -5.381 0.941 1.00 2.80 C ATOM 410 CE1 PHE A 41 9.262 -6.304 -0.232 1.00 4.09 C ATOM 411 CE2 PHE A 41 11.380 -6.762 0.869 1.00 3.95 C ATOM 412 CZ PHE A 41 10.194 -7.225 0.274 1.00 4.34 C ATOM 0 H PHE A 41 11.467 -0.591 0.580 1.00 0.51 H new ATOM 0 HA PHE A 41 9.183 -2.139 -0.176 1.00 0.56 H new ATOM 0 HB2 PHE A 41 11.580 -2.730 -0.469 1.00 0.62 H new ATOM 0 HB3 PHE A 41 11.767 -2.809 1.272 1.00 0.62 H new ATOM 0 HD1 PHE A 41 8.800 -4.219 -0.547 1.00 2.90 H new ATOM 0 HD2 PHE A 41 12.559 -5.031 1.392 1.00 2.80 H new ATOM 0 HE1 PHE A 41 8.345 -6.657 -0.681 1.00 4.09 H new ATOM 0 HE2 PHE A 41 12.092 -7.467 1.272 1.00 3.95 H new ATOM 0 HZ PHE A 41 10.000 -8.285 0.206 1.00 4.34 H new ATOM 422 N LEU A 42 9.571 -1.618 3.038 1.00 0.73 N ATOM 423 CA LEU A 42 8.844 -1.563 4.307 1.00 0.87 C ATOM 424 C LEU A 42 7.532 -0.780 4.198 1.00 0.90 C ATOM 425 O LEU A 42 6.472 -1.296 4.549 1.00 1.02 O ATOM 426 CB LEU A 42 9.805 -0.989 5.370 1.00 0.97 C ATOM 427 CG LEU A 42 9.154 -0.486 6.671 1.00 1.11 C ATOM 428 CD1 LEU A 42 8.495 -1.611 7.462 1.00 1.30 C ATOM 429 CD2 LEU A 42 10.219 0.174 7.542 1.00 1.25 C ATOM 0 H LEU A 42 10.483 -1.162 3.079 1.00 0.73 H new ATOM 0 HA LEU A 42 8.533 -2.565 4.603 1.00 0.87 H new ATOM 0 HB2 LEU A 42 10.533 -1.759 5.626 1.00 0.97 H new ATOM 0 HB3 LEU A 42 10.359 -0.164 4.922 1.00 0.97 H new ATOM 0 HG LEU A 42 8.377 0.227 6.395 1.00 1.11 H new ATOM 0 HD11 LEU A 42 8.050 -1.205 8.371 1.00 1.30 H new ATOM 0 HD12 LEU A 42 7.719 -2.076 6.855 1.00 1.30 H new ATOM 0 HD13 LEU A 42 9.244 -2.357 7.727 1.00 1.30 H new ATOM 0 HD21 LEU A 42 9.763 0.532 8.465 1.00 1.25 H new ATOM 0 HD22 LEU A 42 10.996 -0.552 7.779 1.00 1.25 H new ATOM 0 HD23 LEU A 42 10.659 1.014 7.005 1.00 1.25 H new ATOM 441 N ARG A 43 7.564 0.440 3.660 1.00 0.85 N ATOM 442 CA ARG A 43 6.357 1.266 3.482 1.00 0.96 C ATOM 443 C ARG A 43 5.400 0.657 2.456 1.00 0.97 C ATOM 444 O ARG A 43 4.191 0.844 2.557 1.00 1.08 O ATOM 445 CB ARG A 43 6.766 2.695 3.113 1.00 0.98 C ATOM 446 CG ARG A 43 7.586 3.359 4.228 1.00 1.23 C ATOM 447 CD ARG A 43 8.405 4.530 3.690 1.00 1.46 C ATOM 448 NE ARG A 43 9.277 5.087 4.734 1.00 3.04 N ATOM 449 CZ ARG A 43 10.240 5.967 4.559 1.00 4.05 C ATOM 450 NH1 ARG A 43 10.582 6.439 3.393 1.00 3.96 N ATOM 451 NH2 ARG A 43 10.912 6.363 5.594 1.00 5.75 N ATOM 0 H ARG A 43 8.421 0.887 3.335 1.00 0.85 H new ATOM 0 HA ARG A 43 5.809 1.297 4.424 1.00 0.96 H new ATOM 0 HB2 ARG A 43 7.349 2.680 2.192 1.00 0.98 H new ATOM 0 HB3 ARG A 43 5.874 3.289 2.915 1.00 0.98 H new ATOM 0 HG2 ARG A 43 6.918 3.710 5.014 1.00 1.23 H new ATOM 0 HG3 ARG A 43 8.252 2.624 4.680 1.00 1.23 H new ATOM 0 HD2 ARG A 43 9.009 4.198 2.846 1.00 1.46 H new ATOM 0 HD3 ARG A 43 7.736 5.306 3.318 1.00 1.46 H new ATOM 0 HE ARG A 43 9.121 4.760 5.687 1.00 3.04 H new ATOM 0 HH11 ARG A 43 10.094 6.127 2.553 1.00 3.96 H new ATOM 0 HH12 ARG A 43 11.338 7.120 3.320 1.00 3.96 H new ATOM 0 HH21 ARG A 43 10.690 5.993 6.518 1.00 5.75 H new ATOM 0 HH22 ARG A 43 11.663 7.044 5.484 1.00 5.75 H new ATOM 465 N TYR A 44 5.919 -0.165 1.545 1.00 0.90 N ATOM 466 CA TYR A 44 5.124 -0.973 0.613 1.00 0.96 C ATOM 467 C TYR A 44 4.408 -2.110 1.352 1.00 1.06 C ATOM 468 O TYR A 44 3.197 -2.270 1.184 1.00 1.20 O ATOM 469 CB TYR A 44 6.010 -1.473 -0.541 1.00 0.90 C ATOM 470 CG TYR A 44 5.415 -2.570 -1.407 1.00 1.11 C ATOM 471 CD1 TYR A 44 5.451 -3.913 -0.976 1.00 2.65 C ATOM 472 CD2 TYR A 44 4.882 -2.260 -2.672 1.00 1.68 C ATOM 473 CE1 TYR A 44 4.897 -4.930 -1.775 1.00 2.94 C ATOM 474 CE2 TYR A 44 4.354 -3.280 -3.488 1.00 1.70 C ATOM 475 CZ TYR A 44 4.341 -4.615 -3.031 1.00 1.70 C ATOM 476 OH TYR A 44 3.810 -5.595 -3.811 1.00 2.03 O ATOM 0 H TYR A 44 6.924 -0.293 1.429 1.00 0.90 H new ATOM 0 HA TYR A 44 4.343 -0.354 0.173 1.00 0.96 H new ATOM 0 HB2 TYR A 44 6.254 -0.624 -1.180 1.00 0.90 H new ATOM 0 HB3 TYR A 44 6.948 -1.836 -0.122 1.00 0.90 H new ATOM 0 HD1 TYR A 44 5.906 -4.161 -0.028 1.00 2.65 H new ATOM 0 HD2 TYR A 44 4.878 -1.237 -3.018 1.00 1.68 H new ATOM 0 HE1 TYR A 44 4.898 -5.952 -1.426 1.00 2.94 H new ATOM 0 HE2 TYR A 44 3.959 -3.040 -4.464 1.00 1.70 H new ATOM 0 HH TYR A 44 3.470 -5.203 -4.642 1.00 2.03 H new ATOM 486 N LYS A 45 5.112 -2.835 2.237 1.00 1.01 N ATOM 487 CA LYS A 45 4.504 -3.836 3.127 1.00 1.11 C ATOM 488 C LYS A 45 3.430 -3.202 4.020 1.00 1.17 C ATOM 489 O LYS A 45 2.333 -3.755 4.099 1.00 1.20 O ATOM 490 CB LYS A 45 5.583 -4.572 3.946 1.00 1.17 C ATOM 491 CG LYS A 45 6.372 -5.587 3.098 1.00 1.69 C ATOM 492 CD LYS A 45 7.424 -6.310 3.954 1.00 1.80 C ATOM 493 CE LYS A 45 8.334 -7.246 3.148 1.00 2.96 C ATOM 494 NZ LYS A 45 7.613 -8.423 2.612 1.00 3.07 N ATOM 0 H LYS A 45 6.121 -2.743 2.355 1.00 1.01 H new ATOM 0 HA LYS A 45 4.003 -4.583 2.511 1.00 1.11 H new ATOM 0 HB2 LYS A 45 6.273 -3.843 4.371 1.00 1.17 H new ATOM 0 HB3 LYS A 45 5.111 -5.089 4.782 1.00 1.17 H new ATOM 0 HG2 LYS A 45 5.687 -6.315 2.663 1.00 1.69 H new ATOM 0 HG3 LYS A 45 6.860 -5.074 2.269 1.00 1.69 H new ATOM 0 HD2 LYS A 45 8.039 -5.568 4.462 1.00 1.80 H new ATOM 0 HD3 LYS A 45 6.917 -6.887 4.727 1.00 1.80 H new ATOM 0 HE2 LYS A 45 8.779 -6.691 2.322 1.00 2.96 H new ATOM 0 HE3 LYS A 45 9.153 -7.585 3.782 1.00 2.96 H new ATOM 0 HZ1 LYS A 45 8.274 -9.021 2.077 1.00 3.07 H new ATOM 0 HZ2 LYS A 45 7.210 -8.971 3.399 1.00 3.07 H new ATOM 0 HZ3 LYS A 45 6.848 -8.105 1.984 1.00 3.07 H new ATOM 508 N ASN A 46 3.678 -2.020 4.594 1.00 1.20 N ATOM 509 CA ASN A 46 2.699 -1.260 5.389 1.00 1.28 C ATOM 510 C ASN A 46 1.467 -0.842 4.557 1.00 1.35 C ATOM 511 O ASN A 46 0.333 -1.027 5.002 1.00 1.39 O ATOM 512 CB ASN A 46 3.366 -0.001 5.990 1.00 1.31 C ATOM 513 CG ASN A 46 4.610 -0.239 6.833 1.00 1.26 C ATOM 514 OD1 ASN A 46 4.848 -1.309 7.379 1.00 1.26 O ATOM 515 ND2 ASN A 46 5.431 0.773 6.977 1.00 1.27 N ATOM 0 H ASN A 46 4.582 -1.553 4.519 1.00 1.20 H new ATOM 0 HA ASN A 46 2.354 -1.918 6.187 1.00 1.28 H new ATOM 0 HB2 ASN A 46 3.629 0.671 5.173 1.00 1.31 H new ATOM 0 HB3 ASN A 46 2.630 0.517 6.604 1.00 1.31 H new ATOM 0 HD21 ASN A 46 6.272 0.671 7.546 1.00 1.27 H new ATOM 0 HD22 ASN A 46 5.229 1.663 6.520 1.00 1.27 H new ATOM 522 N CYS A 47 1.686 -0.323 3.342 1.00 1.41 N ATOM 523 CA CYS A 47 0.658 0.063 2.373 1.00 1.50 C ATOM 524 C CYS A 47 -0.281 -1.102 2.039 1.00 1.50 C ATOM 525 O CYS A 47 -1.494 -1.000 2.245 1.00 1.78 O ATOM 526 CB CYS A 47 1.383 0.614 1.132 1.00 1.60 C ATOM 527 SG CYS A 47 0.426 0.830 -0.390 1.00 1.51 S ATOM 0 H CYS A 47 2.630 -0.154 2.994 1.00 1.41 H new ATOM 0 HA CYS A 47 0.010 0.833 2.792 1.00 1.50 H new ATOM 0 HB2 CYS A 47 1.810 1.581 1.397 1.00 1.60 H new ATOM 0 HB3 CYS A 47 2.217 -0.052 0.910 1.00 1.60 H new ATOM 532 N ARG A 48 0.267 -2.249 1.614 1.00 1.26 N ATOM 533 CA ARG A 48 -0.552 -3.427 1.299 1.00 1.25 C ATOM 534 C ARG A 48 -1.203 -4.045 2.535 1.00 1.05 C ATOM 535 O ARG A 48 -2.352 -4.456 2.454 1.00 0.95 O ATOM 536 CB ARG A 48 0.213 -4.409 0.401 1.00 1.35 C ATOM 537 CG ARG A 48 1.418 -5.152 1.001 1.00 1.92 C ATOM 538 CD ARG A 48 1.003 -6.374 1.824 1.00 3.59 C ATOM 539 NE ARG A 48 2.119 -7.312 2.041 1.00 4.28 N ATOM 540 CZ ARG A 48 2.841 -7.460 3.136 1.00 6.22 C ATOM 541 NH1 ARG A 48 2.782 -6.646 4.145 1.00 7.90 N ATOM 542 NH2 ARG A 48 3.671 -8.450 3.252 1.00 6.77 N ATOM 0 H ARG A 48 1.269 -2.386 1.481 1.00 1.26 H new ATOM 0 HA ARG A 48 -1.405 -3.099 0.705 1.00 1.25 H new ATOM 0 HB2 ARG A 48 -0.496 -5.157 0.045 1.00 1.35 H new ATOM 0 HB3 ARG A 48 0.562 -3.859 -0.473 1.00 1.35 H new ATOM 0 HG2 ARG A 48 2.083 -5.468 0.197 1.00 1.92 H new ATOM 0 HG3 ARG A 48 1.985 -4.468 1.633 1.00 1.92 H new ATOM 0 HD2 ARG A 48 0.616 -6.045 2.788 1.00 3.59 H new ATOM 0 HD3 ARG A 48 0.190 -6.892 1.315 1.00 3.59 H new ATOM 0 HE ARG A 48 2.361 -7.916 1.255 1.00 4.28 H new ATOM 0 HH11 ARG A 48 2.154 -5.843 4.116 1.00 7.90 H new ATOM 0 HH12 ARG A 48 3.364 -6.809 4.967 1.00 7.90 H new ATOM 0 HH21 ARG A 48 3.771 -9.124 2.493 1.00 6.77 H new ATOM 0 HH22 ARG A 48 4.224 -8.555 4.103 1.00 6.77 H new ATOM 556 N ARG A 49 -0.535 -4.032 3.698 1.00 1.03 N ATOM 557 CA ARG A 49 -1.059 -4.580 4.967 1.00 0.90 C ATOM 558 C ARG A 49 -2.323 -3.857 5.430 1.00 0.83 C ATOM 559 O ARG A 49 -3.257 -4.514 5.896 1.00 0.75 O ATOM 560 CB ARG A 49 0.053 -4.510 6.027 1.00 0.94 C ATOM 561 CG ARG A 49 -0.334 -5.097 7.387 1.00 0.90 C ATOM 562 CD ARG A 49 0.849 -4.965 8.349 1.00 1.10 C ATOM 563 NE ARG A 49 0.631 -5.746 9.573 1.00 1.97 N ATOM 564 CZ ARG A 49 1.303 -5.652 10.702 1.00 3.00 C ATOM 565 NH1 ARG A 49 2.291 -4.820 10.859 1.00 3.43 N ATOM 566 NH2 ARG A 49 0.977 -6.420 11.694 1.00 4.43 N ATOM 0 H ARG A 49 0.400 -3.635 3.789 1.00 1.03 H new ATOM 0 HA ARG A 49 -1.351 -5.618 4.811 1.00 0.90 H new ATOM 0 HB2 ARG A 49 0.929 -5.039 5.652 1.00 0.94 H new ATOM 0 HB3 ARG A 49 0.343 -3.468 6.164 1.00 0.94 H new ATOM 0 HG2 ARG A 49 -1.203 -4.575 7.787 1.00 0.90 H new ATOM 0 HG3 ARG A 49 -0.614 -6.145 7.278 1.00 0.90 H new ATOM 0 HD2 ARG A 49 1.760 -5.304 7.856 1.00 1.10 H new ATOM 0 HD3 ARG A 49 0.996 -3.916 8.606 1.00 1.10 H new ATOM 0 HE ARG A 49 -0.121 -6.435 9.546 1.00 1.97 H new ATOM 0 HH11 ARG A 49 2.571 -4.210 10.091 1.00 3.43 H new ATOM 0 HH12 ARG A 49 2.786 -4.778 11.750 1.00 3.43 H new ATOM 0 HH21 ARG A 49 0.210 -7.085 11.594 1.00 4.43 H new ATOM 0 HH22 ARG A 49 1.488 -6.360 12.575 1.00 4.43 H new ATOM 580 N PHE A 50 -2.380 -2.538 5.238 1.00 0.88 N ATOM 581 CA PHE A 50 -3.564 -1.733 5.556 1.00 0.83 C ATOM 582 C PHE A 50 -4.758 -2.183 4.716 1.00 0.76 C ATOM 583 O PHE A 50 -5.785 -2.627 5.229 1.00 0.66 O ATOM 584 CB PHE A 50 -3.274 -0.249 5.289 1.00 0.92 C ATOM 585 CG PHE A 50 -4.499 0.632 5.457 1.00 0.77 C ATOM 586 CD1 PHE A 50 -4.951 0.981 6.743 1.00 2.28 C ATOM 587 CD2 PHE A 50 -5.233 1.040 4.326 1.00 1.63 C ATOM 588 CE1 PHE A 50 -6.145 1.709 6.896 1.00 2.18 C ATOM 589 CE2 PHE A 50 -6.428 1.762 4.479 1.00 1.68 C ATOM 590 CZ PHE A 50 -6.891 2.086 5.765 1.00 0.56 C ATOM 0 H PHE A 50 -1.605 -1.995 4.857 1.00 0.88 H new ATOM 0 HA PHE A 50 -3.804 -1.871 6.610 1.00 0.83 H new ATOM 0 HB2 PHE A 50 -2.492 0.091 5.968 1.00 0.92 H new ATOM 0 HB3 PHE A 50 -2.888 -0.136 4.276 1.00 0.92 H new ATOM 0 HD1 PHE A 50 -4.381 0.690 7.613 1.00 2.28 H new ATOM 0 HD2 PHE A 50 -4.875 0.796 3.337 1.00 1.63 H new ATOM 0 HE1 PHE A 50 -6.489 1.979 7.883 1.00 2.18 H new ATOM 0 HE2 PHE A 50 -6.990 2.068 3.609 1.00 1.68 H new ATOM 0 HZ PHE A 50 -7.819 2.624 5.885 1.00 0.56 H new ATOM 600 N TRP A 51 -4.586 -2.119 3.398 1.00 0.85 N ATOM 601 CA TRP A 51 -5.641 -2.483 2.458 1.00 0.80 C ATOM 602 C TRP A 51 -6.056 -3.957 2.581 1.00 0.78 C ATOM 603 O TRP A 51 -7.249 -4.239 2.564 1.00 0.76 O ATOM 604 CB TRP A 51 -5.223 -2.077 1.044 1.00 0.84 C ATOM 605 CG TRP A 51 -5.225 -0.590 0.815 1.00 0.81 C ATOM 606 CD1 TRP A 51 -4.148 0.196 0.571 1.00 0.83 C ATOM 607 CD2 TRP A 51 -6.370 0.325 0.880 1.00 0.75 C ATOM 608 NE1 TRP A 51 -4.558 1.499 0.373 1.00 0.82 N ATOM 609 CE2 TRP A 51 -5.908 1.647 0.606 1.00 0.76 C ATOM 610 CE3 TRP A 51 -7.747 0.176 1.171 1.00 0.71 C ATOM 611 CZ2 TRP A 51 -6.761 2.759 0.622 1.00 0.74 C ATOM 612 CZ3 TRP A 51 -8.609 1.292 1.204 1.00 0.69 C ATOM 613 CH2 TRP A 51 -8.119 2.581 0.933 1.00 0.71 C ATOM 0 H TRP A 51 -3.719 -1.816 2.955 1.00 0.85 H new ATOM 0 HA TRP A 51 -6.546 -1.929 2.708 1.00 0.80 H new ATOM 0 HB2 TRP A 51 -4.224 -2.465 0.845 1.00 0.84 H new ATOM 0 HB3 TRP A 51 -5.896 -2.547 0.327 1.00 0.84 H new ATOM 0 HD1 TRP A 51 -3.124 -0.146 0.537 1.00 0.83 H new ATOM 0 HE1 TRP A 51 -3.939 2.258 0.089 1.00 0.82 H new ATOM 0 HE3 TRP A 51 -8.144 -0.808 1.371 1.00 0.71 H new ATOM 0 HZ2 TRP A 51 -6.378 3.743 0.397 1.00 0.74 H new ATOM 0 HZ3 TRP A 51 -9.654 1.155 1.439 1.00 0.69 H new ATOM 0 HH2 TRP A 51 -8.784 3.431 0.964 1.00 0.71 H new ATOM 624 N ASN A 52 -5.120 -4.876 2.830 1.00 0.79 N ATOM 625 CA ASN A 52 -5.387 -6.274 3.160 1.00 0.75 C ATOM 626 C ASN A 52 -6.215 -6.428 4.455 1.00 0.63 C ATOM 627 O ASN A 52 -7.118 -7.266 4.511 1.00 0.59 O ATOM 628 CB ASN A 52 -4.024 -6.982 3.266 1.00 0.86 C ATOM 629 CG ASN A 52 -3.332 -7.252 1.935 1.00 1.24 C ATOM 630 OD1 ASN A 52 -3.816 -6.958 0.846 1.00 1.82 O ATOM 631 ND2 ASN A 52 -2.168 -7.853 1.992 1.00 1.32 N ATOM 0 H ASN A 52 -4.124 -4.658 2.806 1.00 0.79 H new ATOM 0 HA ASN A 52 -5.997 -6.729 2.379 1.00 0.75 H new ATOM 0 HB2 ASN A 52 -3.363 -6.375 3.885 1.00 0.86 H new ATOM 0 HB3 ASN A 52 -4.164 -7.931 3.784 1.00 0.86 H new ATOM 0 HD21 ASN A 52 -1.666 -8.075 1.132 1.00 1.32 H new ATOM 0 HD22 ASN A 52 -1.764 -8.098 2.896 1.00 1.32 H new ATOM 638 N SER A 53 -5.971 -5.593 5.475 1.00 0.61 N ATOM 639 CA SER A 53 -6.804 -5.545 6.688 1.00 0.55 C ATOM 640 C SER A 53 -8.241 -5.114 6.363 1.00 0.47 C ATOM 641 O SER A 53 -9.180 -5.808 6.755 1.00 0.43 O ATOM 642 CB SER A 53 -6.173 -4.622 7.740 1.00 0.58 C ATOM 643 OG SER A 53 -6.751 -4.815 9.018 1.00 2.22 O ATOM 0 H SER A 53 -5.193 -4.933 5.484 1.00 0.61 H new ATOM 0 HA SER A 53 -6.852 -6.552 7.103 1.00 0.55 H new ATOM 0 HB2 SER A 53 -5.101 -4.810 7.793 1.00 0.58 H new ATOM 0 HB3 SER A 53 -6.300 -3.583 7.436 1.00 0.58 H new ATOM 0 HG SER A 53 -6.325 -4.213 9.664 1.00 2.22 H new ATOM 649 N ILE A 54 -8.427 -4.043 5.572 1.00 0.53 N ATOM 650 CA ILE A 54 -9.757 -3.555 5.145 1.00 0.55 C ATOM 651 C ILE A 54 -10.510 -4.617 4.323 1.00 0.48 C ATOM 652 O ILE A 54 -11.682 -4.900 4.588 1.00 0.45 O ATOM 653 CB ILE A 54 -9.620 -2.231 4.350 1.00 0.70 C ATOM 654 CG1 ILE A 54 -8.936 -1.097 5.150 1.00 0.76 C ATOM 655 CG2 ILE A 54 -10.978 -1.740 3.813 1.00 0.84 C ATOM 656 CD1 ILE A 54 -9.646 -0.659 6.438 1.00 0.84 C ATOM 0 H ILE A 54 -7.655 -3.485 5.207 1.00 0.53 H new ATOM 0 HA ILE A 54 -10.346 -3.359 6.041 1.00 0.55 H new ATOM 0 HB ILE A 54 -8.969 -2.475 3.510 1.00 0.70 H new ATOM 0 HG12 ILE A 54 -7.926 -1.418 5.407 1.00 0.76 H new ATOM 0 HG13 ILE A 54 -8.838 -0.228 4.499 1.00 0.76 H new ATOM 0 HG21 ILE A 54 -10.837 -0.810 3.262 1.00 0.84 H new ATOM 0 HG22 ILE A 54 -11.401 -2.494 3.149 1.00 0.84 H new ATOM 0 HG23 ILE A 54 -11.658 -1.568 4.647 1.00 0.84 H new ATOM 0 HD11 ILE A 54 -9.077 0.140 6.914 1.00 0.84 H new ATOM 0 HD12 ILE A 54 -10.646 -0.298 6.198 1.00 0.84 H new ATOM 0 HD13 ILE A 54 -9.720 -1.507 7.119 1.00 0.84 H new ATOM 668 N VAL A 55 -9.817 -5.248 3.369 1.00 0.55 N ATOM 669 CA VAL A 55 -10.300 -6.392 2.577 1.00 0.63 C ATOM 670 C VAL A 55 -10.825 -7.490 3.494 1.00 0.57 C ATOM 671 O VAL A 55 -11.976 -7.886 3.340 1.00 0.64 O ATOM 672 CB VAL A 55 -9.168 -6.901 1.662 1.00 0.80 C ATOM 673 CG1 VAL A 55 -9.397 -8.299 1.079 1.00 0.93 C ATOM 674 CG2 VAL A 55 -8.975 -5.932 0.493 1.00 0.96 C ATOM 0 H VAL A 55 -8.869 -4.968 3.115 1.00 0.55 H new ATOM 0 HA VAL A 55 -11.130 -6.075 1.945 1.00 0.63 H new ATOM 0 HB VAL A 55 -8.288 -6.960 2.302 1.00 0.80 H new ATOM 0 HG11 VAL A 55 -8.551 -8.574 0.449 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -9.494 -9.020 1.891 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -10.309 -8.299 0.482 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -8.174 -6.295 -0.152 1.00 0.96 H new ATOM 0 HG22 VAL A 55 -9.900 -5.864 -0.080 1.00 0.96 H new ATOM 0 HG23 VAL A 55 -8.713 -4.946 0.877 1.00 0.96 H new ATOM 684 N MET A 56 -10.059 -7.922 4.501 1.00 0.53 N ATOM 685 CA MET A 56 -10.515 -8.941 5.458 1.00 0.64 C ATOM 686 C MET A 56 -11.700 -8.474 6.326 1.00 0.60 C ATOM 687 O MET A 56 -12.604 -9.264 6.610 1.00 0.73 O ATOM 688 CB MET A 56 -9.335 -9.374 6.338 1.00 0.73 C ATOM 689 CG MET A 56 -8.370 -10.267 5.548 1.00 0.95 C ATOM 690 SD MET A 56 -6.955 -10.873 6.503 1.00 2.33 S ATOM 691 CE MET A 56 -6.224 -11.983 5.270 1.00 2.69 C ATOM 0 H MET A 56 -9.114 -7.581 4.677 1.00 0.53 H new ATOM 0 HA MET A 56 -10.884 -9.789 4.881 1.00 0.64 H new ATOM 0 HB2 MET A 56 -8.806 -8.494 6.705 1.00 0.73 H new ATOM 0 HB3 MET A 56 -9.704 -9.912 7.211 1.00 0.73 H new ATOM 0 HG2 MET A 56 -8.923 -11.122 5.159 1.00 0.95 H new ATOM 0 HG3 MET A 56 -8.000 -9.709 4.688 1.00 0.95 H new ATOM 0 HE1 MET A 56 -5.332 -12.451 5.686 1.00 2.69 H new ATOM 0 HE2 MET A 56 -6.946 -12.754 5.001 1.00 2.69 H new ATOM 0 HE3 MET A 56 -5.954 -11.412 4.381 1.00 2.69 H new ATOM 701 N GLN A 57 -11.757 -7.193 6.703 1.00 0.48 N ATOM 702 CA GLN A 57 -12.866 -6.646 7.502 1.00 0.58 C ATOM 703 C GLN A 57 -14.185 -6.613 6.727 1.00 0.64 C ATOM 704 O GLN A 57 -15.242 -6.803 7.333 1.00 0.96 O ATOM 705 CB GLN A 57 -12.581 -5.221 8.030 1.00 0.59 C ATOM 706 CG GLN A 57 -11.422 -5.006 9.019 1.00 0.58 C ATOM 707 CD GLN A 57 -11.175 -6.186 9.945 1.00 0.91 C ATOM 708 OE1 GLN A 57 -11.871 -6.379 10.935 1.00 1.56 O ATOM 709 NE2 GLN A 57 -10.216 -7.026 9.627 1.00 1.40 N ATOM 0 H GLN A 57 -11.041 -6.506 6.466 1.00 0.48 H new ATOM 0 HA GLN A 57 -12.956 -7.329 8.347 1.00 0.58 H new ATOM 0 HB2 GLN A 57 -12.399 -4.581 7.166 1.00 0.59 H new ATOM 0 HB3 GLN A 57 -13.492 -4.860 8.508 1.00 0.59 H new ATOM 0 HG2 GLN A 57 -10.511 -4.801 8.457 1.00 0.58 H new ATOM 0 HG3 GLN A 57 -11.631 -4.122 9.621 1.00 0.58 H new ATOM 0 HE21 GLN A 57 -9.642 -6.856 8.801 1.00 1.40 H new ATOM 0 HE22 GLN A 57 -10.045 -7.848 10.206 1.00 1.40 H new ATOM 718 N ARG A 58 -14.156 -6.397 5.404 1.00 0.49 N ATOM 719 CA ARG A 58 -15.371 -6.475 4.565 1.00 0.58 C ATOM 720 C ARG A 58 -15.656 -7.876 4.024 1.00 0.65 C ATOM 721 O ARG A 58 -16.818 -8.274 3.898 1.00 0.72 O ATOM 722 CB ARG A 58 -15.362 -5.346 3.523 1.00 0.99 C ATOM 723 CG ARG A 58 -14.337 -5.417 2.379 1.00 1.58 C ATOM 724 CD ARG A 58 -14.207 -4.063 1.646 1.00 1.30 C ATOM 725 NE ARG A 58 -14.964 -3.989 0.374 1.00 2.54 N ATOM 726 CZ ARG A 58 -15.705 -2.984 -0.070 1.00 3.16 C ATOM 727 NH1 ARG A 58 -16.152 -2.018 0.672 1.00 3.31 N ATOM 728 NH2 ARG A 58 -16.037 -2.933 -1.322 1.00 4.39 N ATOM 0 H ARG A 58 -13.307 -6.167 4.888 1.00 0.49 H new ATOM 0 HA ARG A 58 -16.242 -6.300 5.196 1.00 0.58 H new ATOM 0 HB2 ARG A 58 -16.355 -5.298 3.077 1.00 0.99 H new ATOM 0 HB3 ARG A 58 -15.204 -4.406 4.052 1.00 0.99 H new ATOM 0 HG2 ARG A 58 -13.366 -5.710 2.778 1.00 1.58 H new ATOM 0 HG3 ARG A 58 -14.636 -6.188 1.669 1.00 1.58 H new ATOM 0 HD2 ARG A 58 -14.552 -3.269 2.308 1.00 1.30 H new ATOM 0 HD3 ARG A 58 -13.154 -3.872 1.441 1.00 1.30 H new ATOM 0 HE ARG A 58 -14.908 -4.808 -0.231 1.00 2.54 H new ATOM 0 HH11 ARG A 58 -15.937 -2.000 1.669 1.00 3.31 H new ATOM 0 HH12 ARG A 58 -16.718 -1.277 0.258 1.00 3.31 H new ATOM 0 HH21 ARG A 58 -15.728 -3.665 -1.962 1.00 4.39 H new ATOM 0 HH22 ARG A 58 -16.607 -2.161 -1.667 1.00 4.39 H new ATOM 742 N ARG A 59 -14.607 -8.672 3.804 1.00 0.83 N ATOM 743 CA ARG A 59 -14.690 -10.058 3.305 1.00 1.15 C ATOM 744 C ARG A 59 -15.329 -11.031 4.297 1.00 1.33 C ATOM 745 O ARG A 59 -15.878 -12.033 3.841 1.00 1.60 O ATOM 746 CB ARG A 59 -13.325 -10.544 2.767 1.00 1.37 C ATOM 747 CG ARG A 59 -13.385 -11.974 2.197 1.00 1.64 C ATOM 748 CD ARG A 59 -12.315 -12.274 1.144 1.00 2.04 C ATOM 749 NE ARG A 59 -12.484 -13.644 0.614 1.00 2.51 N ATOM 750 CZ ARG A 59 -12.132 -14.096 -0.578 1.00 3.27 C ATOM 751 NH1 ARG A 59 -11.500 -13.360 -1.443 1.00 3.67 N ATOM 752 NH2 ARG A 59 -12.413 -15.314 -0.940 1.00 3.83 N ATOM 0 H ARG A 59 -13.648 -8.368 3.971 1.00 0.83 H new ATOM 0 HA ARG A 59 -15.379 -10.043 2.461 1.00 1.15 H new ATOM 0 HB2 ARG A 59 -12.982 -9.862 1.989 1.00 1.37 H new ATOM 0 HB3 ARG A 59 -12.589 -10.508 3.570 1.00 1.37 H new ATOM 0 HG2 ARG A 59 -13.282 -12.685 3.017 1.00 1.64 H new ATOM 0 HG3 ARG A 59 -14.369 -12.137 1.756 1.00 1.64 H new ATOM 0 HD2 ARG A 59 -12.383 -11.552 0.331 1.00 2.04 H new ATOM 0 HD3 ARG A 59 -11.323 -12.167 1.583 1.00 2.04 H new ATOM 0 HE ARG A 59 -12.923 -14.319 1.240 1.00 2.51 H new ATOM 0 HH11 ARG A 59 -11.258 -12.396 -1.212 1.00 3.67 H new ATOM 0 HH12 ARG A 59 -11.246 -13.746 -2.352 1.00 3.67 H new ATOM 0 HH21 ARG A 59 -12.911 -15.934 -0.301 1.00 3.83 H new ATOM 0 HH22 ARG A 59 -12.135 -15.649 -1.863 1.00 3.83 H new ATOM 766 N LYS A 60 -15.410 -10.719 5.598 1.00 1.29 N ATOM 767 CA LYS A 60 -16.175 -11.538 6.566 1.00 1.67 C ATOM 768 C LYS A 60 -17.640 -11.816 6.171 1.00 1.81 C ATOM 769 O LYS A 60 -18.212 -12.830 6.561 1.00 2.14 O ATOM 770 CB LYS A 60 -16.070 -10.899 7.957 1.00 1.76 C ATOM 771 CG LYS A 60 -16.964 -9.668 8.187 1.00 1.71 C ATOM 772 CD LYS A 60 -16.677 -9.123 9.587 1.00 2.04 C ATOM 773 CE LYS A 60 -17.535 -7.905 9.944 1.00 2.18 C ATOM 774 NZ LYS A 60 -17.268 -7.428 11.322 1.00 2.71 N ATOM 0 H LYS A 60 -14.956 -9.904 6.011 1.00 1.29 H new ATOM 0 HA LYS A 60 -15.718 -12.527 6.570 1.00 1.67 H new ATOM 0 HB2 LYS A 60 -16.319 -11.653 8.704 1.00 1.76 H new ATOM 0 HB3 LYS A 60 -15.033 -10.611 8.128 1.00 1.76 H new ATOM 0 HG2 LYS A 60 -16.763 -8.906 7.434 1.00 1.71 H new ATOM 0 HG3 LYS A 60 -18.016 -9.939 8.093 1.00 1.71 H new ATOM 0 HD2 LYS A 60 -16.852 -9.911 10.320 1.00 2.04 H new ATOM 0 HD3 LYS A 60 -15.624 -8.851 9.656 1.00 2.04 H new ATOM 0 HE2 LYS A 60 -17.336 -7.100 9.236 1.00 2.18 H new ATOM 0 HE3 LYS A 60 -18.590 -8.162 9.846 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 -17.868 -6.603 11.526 1.00 2.71 H new ATOM 0 HZ2 LYS A 60 -17.482 -8.187 12.000 1.00 2.71 H new ATOM 0 HZ3 LYS A 60 -16.267 -7.158 11.408 1.00 2.71 H new ATOM 788 N ASN A 61 -18.240 -10.945 5.351 1.00 1.62 N ATOM 789 CA ASN A 61 -19.604 -11.107 4.847 1.00 1.73 C ATOM 790 C ASN A 61 -19.682 -12.004 3.590 1.00 1.71 C ATOM 791 O ASN A 61 -20.718 -12.617 3.336 1.00 1.85 O ATOM 792 CB ASN A 61 -20.212 -9.715 4.614 1.00 1.83 C ATOM 793 CG ASN A 61 -20.147 -8.868 5.870 1.00 2.05 C ATOM 794 OD1 ASN A 61 -20.973 -8.965 6.769 1.00 2.16 O ATOM 795 ND2 ASN A 61 -19.102 -8.090 6.002 1.00 2.29 N ATOM 0 H ASN A 61 -17.783 -10.097 5.016 1.00 1.62 H new ATOM 0 HA ASN A 61 -20.192 -11.635 5.597 1.00 1.73 H new ATOM 0 HB2 ASN A 61 -19.679 -9.213 3.807 1.00 1.83 H new ATOM 0 HB3 ASN A 61 -21.249 -9.818 4.295 1.00 1.83 H new ATOM 0 HD21 ASN A 61 -18.969 -7.556 6.861 1.00 2.29 H new ATOM 0 HD22 ASN A 61 -18.421 -8.018 5.246 1.00 2.29 H new ATOM 802 N GLY A 62 -18.592 -12.109 2.818 1.00 1.60 N ATOM 803 CA GLY A 62 -18.421 -13.079 1.725 1.00 1.66 C ATOM 804 C GLY A 62 -19.190 -12.803 0.423 1.00 1.75 C ATOM 805 O GLY A 62 -19.367 -13.718 -0.376 1.00 1.90 O ATOM 0 H GLY A 62 -17.780 -11.504 2.939 1.00 1.60 H new ATOM 0 HA2 GLY A 62 -17.359 -13.137 1.486 1.00 1.66 H new ATOM 0 HA3 GLY A 62 -18.719 -14.061 2.093 1.00 1.66 H new ATOM 809 N VAL A 63 -19.702 -11.583 0.221 1.00 1.72 N ATOM 810 CA VAL A 63 -20.845 -11.328 -0.695 1.00 1.91 C ATOM 811 C VAL A 63 -20.686 -10.128 -1.663 1.00 1.66 C ATOM 812 O VAL A 63 -21.565 -9.841 -2.483 1.00 1.73 O ATOM 813 CB VAL A 63 -22.101 -11.234 0.200 1.00 2.20 C ATOM 814 CG1 VAL A 63 -22.041 -10.015 1.125 1.00 2.08 C ATOM 815 CG2 VAL A 63 -23.421 -11.222 -0.566 1.00 2.56 C ATOM 0 H VAL A 63 -19.346 -10.744 0.679 1.00 1.72 H new ATOM 0 HA VAL A 63 -20.918 -12.152 -1.404 1.00 1.91 H new ATOM 0 HB VAL A 63 -22.085 -12.151 0.789 1.00 2.20 H new ATOM 0 HG11 VAL A 63 -22.940 -9.980 1.740 1.00 2.08 H new ATOM 0 HG12 VAL A 63 -21.164 -10.089 1.768 1.00 2.08 H new ATOM 0 HG13 VAL A 63 -21.976 -9.107 0.526 1.00 2.08 H new ATOM 0 HG21 VAL A 63 -24.250 -11.154 0.139 1.00 2.56 H new ATOM 0 HG22 VAL A 63 -23.444 -10.364 -1.237 1.00 2.56 H new ATOM 0 HG23 VAL A 63 -23.513 -12.140 -1.147 1.00 2.56 H new ATOM 825 N LYS A 64 -19.565 -9.404 -1.587 1.00 1.69 N ATOM 826 CA LYS A 64 -19.324 -8.105 -2.244 1.00 1.42 C ATOM 827 C LYS A 64 -17.929 -8.013 -2.896 1.00 1.36 C ATOM 828 O LYS A 64 -17.091 -8.873 -2.615 1.00 1.48 O ATOM 829 CB LYS A 64 -19.541 -7.031 -1.162 1.00 1.33 C ATOM 830 CG LYS A 64 -18.517 -7.077 -0.009 1.00 1.34 C ATOM 831 CD LYS A 64 -17.974 -5.691 0.354 1.00 1.37 C ATOM 832 CE LYS A 64 -19.027 -4.612 0.660 1.00 1.46 C ATOM 833 NZ LYS A 64 -19.801 -4.854 1.898 1.00 2.41 N ATOM 0 H LYS A 64 -18.761 -9.717 -1.042 1.00 1.69 H new ATOM 0 HA LYS A 64 -20.013 -7.963 -3.077 1.00 1.42 H new ATOM 0 HB2 LYS A 64 -19.500 -6.047 -1.630 1.00 1.33 H new ATOM 0 HB3 LYS A 64 -20.543 -7.146 -0.748 1.00 1.33 H new ATOM 0 HG2 LYS A 64 -18.985 -7.521 0.870 1.00 1.34 H new ATOM 0 HG3 LYS A 64 -17.687 -7.726 -0.291 1.00 1.34 H new ATOM 0 HD2 LYS A 64 -17.325 -5.794 1.224 1.00 1.37 H new ATOM 0 HD3 LYS A 64 -17.352 -5.340 -0.469 1.00 1.37 H new ATOM 0 HE2 LYS A 64 -18.529 -3.646 0.739 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -19.718 -4.546 -0.180 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -20.488 -4.085 2.034 1.00 2.41 H new ATOM 0 HZ2 LYS A 64 -20.306 -5.760 1.820 1.00 2.41 H new ATOM 0 HZ3 LYS A 64 -19.154 -4.888 2.711 1.00 2.41 H new ATOM 847 N PRO A 65 -17.623 -6.986 -3.715 1.00 1.32 N ATOM 848 CA PRO A 65 -16.249 -6.721 -4.148 1.00 1.36 C ATOM 849 C PRO A 65 -15.328 -6.452 -2.951 1.00 1.14 C ATOM 850 O PRO A 65 -15.539 -5.522 -2.170 1.00 1.00 O ATOM 851 CB PRO A 65 -16.332 -5.511 -5.086 1.00 1.53 C ATOM 852 CG PRO A 65 -17.613 -4.807 -4.646 1.00 1.46 C ATOM 853 CD PRO A 65 -18.517 -5.987 -4.288 1.00 1.38 C ATOM 0 HA PRO A 65 -15.818 -7.583 -4.658 1.00 1.36 H new ATOM 0 HB2 PRO A 65 -15.462 -4.863 -4.983 1.00 1.53 H new ATOM 0 HB3 PRO A 65 -16.380 -5.816 -6.131 1.00 1.53 H new ATOM 0 HG2 PRO A 65 -17.445 -4.149 -3.794 1.00 1.46 H new ATOM 0 HG3 PRO A 65 -18.037 -4.195 -5.443 1.00 1.46 H new ATOM 0 HD2 PRO A 65 -19.288 -5.692 -3.576 1.00 1.38 H new ATOM 0 HD3 PRO A 65 -19.029 -6.374 -5.169 1.00 1.38 H new ATOM 861 N PHE A 66 -14.307 -7.284 -2.785 1.00 1.32 N ATOM 862 CA PHE A 66 -13.466 -7.305 -1.590 1.00 1.23 C ATOM 863 C PHE A 66 -12.444 -6.175 -1.575 1.00 0.96 C ATOM 864 O PHE A 66 -12.380 -5.439 -0.591 1.00 0.81 O ATOM 865 CB PHE A 66 -12.803 -8.676 -1.476 1.00 1.59 C ATOM 866 CG PHE A 66 -13.807 -9.803 -1.364 1.00 1.72 C ATOM 867 CD1 PHE A 66 -14.750 -9.796 -0.322 1.00 1.62 C ATOM 868 CD2 PHE A 66 -13.817 -10.833 -2.320 1.00 3.03 C ATOM 869 CE1 PHE A 66 -15.700 -10.828 -0.226 1.00 1.72 C ATOM 870 CE2 PHE A 66 -14.752 -11.880 -2.210 1.00 3.10 C ATOM 871 CZ PHE A 66 -15.688 -11.879 -1.158 1.00 1.95 C ATOM 0 H PHE A 66 -14.034 -7.974 -3.485 1.00 1.32 H new ATOM 0 HA PHE A 66 -14.096 -7.136 -0.717 1.00 1.23 H new ATOM 0 HB2 PHE A 66 -12.171 -8.843 -2.348 1.00 1.59 H new ATOM 0 HB3 PHE A 66 -12.151 -8.688 -0.603 1.00 1.59 H new ATOM 0 HD1 PHE A 66 -14.745 -8.998 0.405 1.00 1.62 H new ATOM 0 HD2 PHE A 66 -13.110 -10.822 -3.136 1.00 3.03 H new ATOM 0 HE1 PHE A 66 -16.438 -10.813 0.563 1.00 1.72 H new ATOM 0 HE2 PHE A 66 -14.751 -12.683 -2.932 1.00 3.10 H new ATOM 0 HZ PHE A 66 -16.398 -12.688 -1.067 1.00 1.95 H new ATOM 881 N MET A 67 -11.726 -5.977 -2.680 1.00 1.03 N ATOM 882 CA MET A 67 -10.976 -4.742 -2.902 1.00 0.94 C ATOM 883 C MET A 67 -11.957 -3.560 -3.038 1.00 0.86 C ATOM 884 O MET A 67 -12.844 -3.608 -3.900 1.00 0.94 O ATOM 885 CB MET A 67 -10.072 -4.872 -4.138 1.00 1.33 C ATOM 886 CG MET A 67 -8.796 -5.663 -3.822 1.00 1.32 C ATOM 887 SD MET A 67 -7.671 -4.828 -2.663 1.00 1.11 S ATOM 888 CE MET A 67 -6.473 -6.161 -2.397 1.00 1.09 C ATOM 0 H MET A 67 -11.648 -6.657 -3.436 1.00 1.03 H new ATOM 0 HA MET A 67 -10.328 -4.554 -2.046 1.00 0.94 H new ATOM 0 HB2 MET A 67 -10.619 -5.368 -4.940 1.00 1.33 H new ATOM 0 HB3 MET A 67 -9.805 -3.879 -4.501 1.00 1.33 H new ATOM 0 HG2 MET A 67 -9.075 -6.631 -3.406 1.00 1.32 H new ATOM 0 HG3 MET A 67 -8.263 -5.858 -4.752 1.00 1.32 H new ATOM 0 HE1 MET A 67 -5.731 -5.843 -1.664 1.00 1.09 H new ATOM 0 HE2 MET A 67 -6.990 -7.047 -2.029 1.00 1.09 H new ATOM 0 HE3 MET A 67 -5.976 -6.396 -3.338 1.00 1.09 H new ATOM 898 N PRO A 68 -11.848 -2.510 -2.198 1.00 0.77 N ATOM 899 CA PRO A 68 -12.787 -1.393 -2.196 1.00 0.78 C ATOM 900 C PRO A 68 -12.727 -0.604 -3.507 1.00 0.92 C ATOM 901 O PRO A 68 -11.646 -0.324 -4.030 1.00 1.10 O ATOM 902 CB PRO A 68 -12.430 -0.542 -0.972 1.00 0.73 C ATOM 903 CG PRO A 68 -10.955 -0.861 -0.728 1.00 0.71 C ATOM 904 CD PRO A 68 -10.835 -2.319 -1.171 1.00 0.70 C ATOM 0 HA PRO A 68 -13.819 -1.737 -2.129 1.00 0.78 H new ATOM 0 HB2 PRO A 68 -12.584 0.520 -1.164 1.00 0.73 H new ATOM 0 HB3 PRO A 68 -13.044 -0.803 -0.110 1.00 0.73 H new ATOM 0 HG2 PRO A 68 -10.301 -0.209 -1.307 1.00 0.71 H new ATOM 0 HG3 PRO A 68 -10.684 -0.735 0.320 1.00 0.71 H new ATOM 0 HD2 PRO A 68 -9.839 -2.528 -1.562 1.00 0.70 H new ATOM 0 HD3 PRO A 68 -10.997 -2.996 -0.332 1.00 0.70 H new ATOM 912 N THR A 69 -13.897 -0.235 -4.024 1.00 0.90 N ATOM 913 CA THR A 69 -14.058 0.557 -5.246 1.00 0.99 C ATOM 914 C THR A 69 -13.639 2.006 -5.024 1.00 0.98 C ATOM 915 O THR A 69 -13.550 2.466 -3.890 1.00 0.92 O ATOM 916 CB THR A 69 -15.499 0.481 -5.779 1.00 1.08 C ATOM 917 OG1 THR A 69 -16.424 0.946 -4.823 1.00 1.08 O ATOM 918 CG2 THR A 69 -15.910 -0.939 -6.157 1.00 1.15 C ATOM 0 H THR A 69 -14.787 -0.485 -3.593 1.00 0.90 H new ATOM 0 HA THR A 69 -13.400 0.127 -6.001 1.00 0.99 H new ATOM 0 HB THR A 69 -15.512 1.112 -6.668 1.00 1.08 H new ATOM 0 HG1 THR A 69 -16.607 0.236 -4.173 1.00 1.08 H new ATOM 0 HG21 THR A 69 -16.935 -0.935 -6.527 1.00 1.15 H new ATOM 0 HG22 THR A 69 -15.245 -1.315 -6.935 1.00 1.15 H new ATOM 0 HG23 THR A 69 -15.843 -1.583 -5.280 1.00 1.15 H new ATOM 926 N ALA A 70 -13.371 2.742 -6.100 1.00 1.11 N ATOM 927 CA ALA A 70 -12.748 4.072 -6.050 1.00 1.15 C ATOM 928 C ALA A 70 -13.432 5.070 -5.081 1.00 1.14 C ATOM 929 O ALA A 70 -12.736 5.764 -4.334 1.00 1.12 O ATOM 930 CB ALA A 70 -12.685 4.617 -7.481 1.00 1.31 C ATOM 0 H ALA A 70 -13.582 2.431 -7.048 1.00 1.11 H new ATOM 0 HA ALA A 70 -11.747 3.957 -5.634 1.00 1.15 H new ATOM 0 HB1 ALA A 70 -12.226 5.606 -7.474 1.00 1.31 H new ATOM 0 HB2 ALA A 70 -12.091 3.945 -8.100 1.00 1.31 H new ATOM 0 HB3 ALA A 70 -13.694 4.688 -7.888 1.00 1.31 H new ATOM 936 N ALA A 71 -14.770 5.092 -5.026 1.00 1.17 N ATOM 937 CA ALA A 71 -15.543 5.912 -4.084 1.00 1.21 C ATOM 938 C ALA A 71 -15.363 5.491 -2.609 1.00 1.11 C ATOM 939 O ALA A 71 -15.243 6.346 -1.727 1.00 1.14 O ATOM 940 CB ALA A 71 -17.023 5.826 -4.479 1.00 1.32 C ATOM 0 H ALA A 71 -15.355 4.531 -5.645 1.00 1.17 H new ATOM 0 HA ALA A 71 -15.172 6.935 -4.149 1.00 1.21 H new ATOM 0 HB1 ALA A 71 -17.618 6.428 -3.793 1.00 1.32 H new ATOM 0 HB2 ALA A 71 -17.151 6.200 -5.495 1.00 1.32 H new ATOM 0 HB3 ALA A 71 -17.353 4.788 -4.431 1.00 1.32 H new ATOM 946 N GLU A 72 -15.309 4.181 -2.348 1.00 1.02 N ATOM 947 CA GLU A 72 -15.073 3.590 -1.035 1.00 0.95 C ATOM 948 C GLU A 72 -13.631 3.875 -0.612 1.00 0.85 C ATOM 949 O GLU A 72 -13.408 4.462 0.440 1.00 0.84 O ATOM 950 CB GLU A 72 -15.360 2.076 -1.071 1.00 0.92 C ATOM 951 CG GLU A 72 -16.795 1.735 -1.499 1.00 1.08 C ATOM 952 CD GLU A 72 -16.987 0.224 -1.663 1.00 1.51 C ATOM 953 OE1 GLU A 72 -16.309 -0.392 -2.517 1.00 2.19 O ATOM 954 OE2 GLU A 72 -17.815 -0.386 -0.945 1.00 2.12 O ATOM 0 H GLU A 72 -15.434 3.479 -3.077 1.00 1.02 H new ATOM 0 HA GLU A 72 -15.747 4.033 -0.302 1.00 0.95 H new ATOM 0 HB2 GLU A 72 -14.661 1.598 -1.757 1.00 0.92 H new ATOM 0 HB3 GLU A 72 -15.174 1.655 -0.083 1.00 0.92 H new ATOM 0 HG2 GLU A 72 -17.497 2.114 -0.756 1.00 1.08 H new ATOM 0 HG3 GLU A 72 -17.024 2.236 -2.439 1.00 1.08 H new ATOM 961 N ARG A 73 -12.651 3.552 -1.469 1.00 0.80 N ATOM 962 CA ARG A 73 -11.221 3.852 -1.293 1.00 0.75 C ATOM 963 C ARG A 73 -10.990 5.318 -0.930 1.00 0.79 C ATOM 964 O ARG A 73 -10.221 5.600 -0.016 1.00 0.74 O ATOM 965 CB ARG A 73 -10.495 3.482 -2.599 1.00 0.80 C ATOM 966 CG ARG A 73 -8.964 3.598 -2.539 1.00 1.89 C ATOM 967 CD ARG A 73 -8.349 3.145 -3.871 1.00 1.82 C ATOM 968 NE ARG A 73 -6.916 3.469 -3.945 1.00 2.42 N ATOM 969 CZ ARG A 73 -6.082 3.169 -4.924 1.00 2.83 C ATOM 970 NH1 ARG A 73 -6.381 2.323 -5.868 1.00 3.27 N ATOM 971 NH2 ARG A 73 -4.915 3.735 -4.959 1.00 3.74 N ATOM 0 H ARG A 73 -12.840 3.054 -2.339 1.00 0.80 H new ATOM 0 HA ARG A 73 -10.825 3.267 -0.463 1.00 0.75 H new ATOM 0 HB2 ARG A 73 -10.758 2.459 -2.867 1.00 0.80 H new ATOM 0 HB3 ARG A 73 -10.863 4.125 -3.398 1.00 0.80 H new ATOM 0 HG2 ARG A 73 -8.677 4.628 -2.329 1.00 1.89 H new ATOM 0 HG3 ARG A 73 -8.577 2.987 -1.724 1.00 1.89 H new ATOM 0 HD2 ARG A 73 -8.486 2.070 -3.988 1.00 1.82 H new ATOM 0 HD3 ARG A 73 -8.874 3.625 -4.697 1.00 1.82 H new ATOM 0 HE ARG A 73 -6.524 3.981 -3.155 1.00 2.42 H new ATOM 0 HH11 ARG A 73 -7.291 1.862 -5.870 1.00 3.27 H new ATOM 0 HH12 ARG A 73 -5.705 2.121 -6.605 1.00 3.27 H new ATOM 0 HH21 ARG A 73 -4.650 4.403 -4.235 1.00 3.74 H new ATOM 0 HH22 ARG A 73 -4.262 3.511 -5.710 1.00 3.74 H new ATOM 985 N ASP A 74 -11.696 6.228 -1.603 1.00 0.90 N ATOM 986 CA ASP A 74 -11.667 7.657 -1.308 1.00 0.98 C ATOM 987 C ASP A 74 -12.223 7.974 0.092 1.00 0.96 C ATOM 988 O ASP A 74 -11.520 8.548 0.924 1.00 0.93 O ATOM 989 CB ASP A 74 -12.445 8.395 -2.406 1.00 1.13 C ATOM 990 CG ASP A 74 -12.606 9.886 -2.118 1.00 1.23 C ATOM 991 OD1 ASP A 74 -11.659 10.664 -2.383 1.00 2.40 O ATOM 992 OD2 ASP A 74 -13.689 10.302 -1.647 1.00 1.87 O ATOM 0 H ASP A 74 -12.312 5.987 -2.379 1.00 0.90 H new ATOM 0 HA ASP A 74 -10.632 7.998 -1.299 1.00 0.98 H new ATOM 0 HB2 ASP A 74 -11.930 8.267 -3.358 1.00 1.13 H new ATOM 0 HB3 ASP A 74 -13.431 7.942 -2.513 1.00 1.13 H new ATOM 997 N GLU A 75 -13.461 7.567 0.394 1.00 1.01 N ATOM 998 CA GLU A 75 -14.074 7.898 1.690 1.00 1.07 C ATOM 999 C GLU A 75 -13.421 7.178 2.886 1.00 0.95 C ATOM 1000 O GLU A 75 -13.528 7.638 4.025 1.00 1.00 O ATOM 1001 CB GLU A 75 -15.599 7.730 1.646 1.00 1.29 C ATOM 1002 CG GLU A 75 -16.131 6.290 1.706 1.00 1.29 C ATOM 1003 CD GLU A 75 -17.669 6.299 1.698 1.00 1.71 C ATOM 1004 OE1 GLU A 75 -18.296 6.847 2.643 1.00 2.47 O ATOM 1005 OE2 GLU A 75 -18.286 5.824 0.714 1.00 2.60 O ATOM 0 H GLU A 75 -14.052 7.016 -0.229 1.00 1.01 H new ATOM 0 HA GLU A 75 -13.872 8.955 1.866 1.00 1.07 H new ATOM 0 HB2 GLU A 75 -16.028 8.287 2.479 1.00 1.29 H new ATOM 0 HB3 GLU A 75 -15.967 8.192 0.730 1.00 1.29 H new ATOM 0 HG2 GLU A 75 -15.758 5.719 0.856 1.00 1.29 H new ATOM 0 HG3 GLU A 75 -15.766 5.796 2.606 1.00 1.29 H new ATOM 1012 N ILE A 76 -12.696 6.087 2.626 1.00 0.85 N ATOM 1013 CA ILE A 76 -11.930 5.309 3.604 1.00 0.78 C ATOM 1014 C ILE A 76 -10.547 5.932 3.848 1.00 0.68 C ATOM 1015 O ILE A 76 -10.148 6.071 5.005 1.00 0.67 O ATOM 1016 CB ILE A 76 -11.874 3.833 3.151 1.00 0.78 C ATOM 1017 CG1 ILE A 76 -13.285 3.206 3.297 1.00 0.98 C ATOM 1018 CG2 ILE A 76 -10.837 3.038 3.959 1.00 0.78 C ATOM 1019 CD1 ILE A 76 -13.524 1.957 2.442 1.00 1.04 C ATOM 0 H ILE A 76 -12.624 5.704 1.684 1.00 0.85 H new ATOM 0 HA ILE A 76 -12.430 5.332 4.572 1.00 0.78 H new ATOM 0 HB ILE A 76 -11.564 3.795 2.107 1.00 0.78 H new ATOM 0 HG12 ILE A 76 -13.447 2.949 4.344 1.00 0.98 H new ATOM 0 HG13 ILE A 76 -14.030 3.957 3.034 1.00 0.98 H new ATOM 0 HG21 ILE A 76 -10.823 2.004 3.615 1.00 0.78 H new ATOM 0 HG22 ILE A 76 -9.850 3.480 3.820 1.00 0.78 H new ATOM 0 HG23 ILE A 76 -11.101 3.065 5.016 1.00 0.78 H new ATOM 0 HD11 ILE A 76 -14.536 1.589 2.610 1.00 1.04 H new ATOM 0 HD12 ILE A 76 -13.399 2.208 1.389 1.00 1.04 H new ATOM 0 HD13 ILE A 76 -12.807 1.184 2.718 1.00 1.04 H new ATOM 1031 N LEU A 77 -9.845 6.408 2.813 1.00 0.67 N ATOM 1032 CA LEU A 77 -8.668 7.270 3.010 1.00 0.70 C ATOM 1033 C LEU A 77 -9.030 8.521 3.817 1.00 0.77 C ATOM 1034 O LEU A 77 -8.262 8.942 4.686 1.00 0.83 O ATOM 1035 CB LEU A 77 -8.087 7.696 1.658 1.00 0.78 C ATOM 1036 CG LEU A 77 -7.144 6.663 1.023 1.00 0.79 C ATOM 1037 CD1 LEU A 77 -6.856 7.122 -0.401 1.00 0.94 C ATOM 1038 CD2 LEU A 77 -5.810 6.531 1.776 1.00 0.82 C ATOM 0 H LEU A 77 -10.067 6.214 1.837 1.00 0.67 H new ATOM 0 HA LEU A 77 -7.926 6.695 3.563 1.00 0.70 H new ATOM 0 HB2 LEU A 77 -8.908 7.894 0.969 1.00 0.78 H new ATOM 0 HB3 LEU A 77 -7.546 8.634 1.787 1.00 0.78 H new ATOM 0 HG LEU A 77 -7.630 5.688 1.058 1.00 0.79 H new ATOM 0 HD11 LEU A 77 -6.187 6.410 -0.884 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -7.790 7.180 -0.960 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -6.385 8.105 -0.378 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.185 5.787 1.282 1.00 0.82 H new ATOM 0 HD22 LEU A 77 -5.297 7.493 1.778 1.00 0.82 H new ATOM 0 HD23 LEU A 77 -6.001 6.220 2.803 1.00 0.82 H new ATOM 1050 N ARG A 78 -10.220 9.080 3.578 1.00 0.82 N ATOM 1051 CA ARG A 78 -10.763 10.205 4.357 1.00 0.91 C ATOM 1052 C ARG A 78 -11.126 9.787 5.784 1.00 0.90 C ATOM 1053 O ARG A 78 -10.862 10.545 6.715 1.00 0.96 O ATOM 1054 CB ARG A 78 -11.945 10.862 3.626 1.00 1.01 C ATOM 1055 CG ARG A 78 -11.506 11.538 2.318 1.00 1.09 C ATOM 1056 CD ARG A 78 -12.706 12.028 1.498 1.00 1.35 C ATOM 1057 NE ARG A 78 -12.319 12.287 0.102 1.00 2.35 N ATOM 1058 CZ ARG A 78 -11.663 13.322 -0.384 1.00 3.41 C ATOM 1059 NH1 ARG A 78 -11.392 14.383 0.314 1.00 3.95 N ATOM 1060 NH2 ARG A 78 -11.258 13.282 -1.615 1.00 4.70 N ATOM 0 H ARG A 78 -10.841 8.764 2.833 1.00 0.82 H new ATOM 0 HA ARG A 78 -9.978 10.956 4.446 1.00 0.91 H new ATOM 0 HB2 ARG A 78 -12.702 10.108 3.409 1.00 1.01 H new ATOM 0 HB3 ARG A 78 -12.410 11.601 4.278 1.00 1.01 H new ATOM 0 HG2 ARG A 78 -10.853 12.381 2.546 1.00 1.09 H new ATOM 0 HG3 ARG A 78 -10.923 10.835 1.724 1.00 1.09 H new ATOM 0 HD2 ARG A 78 -13.500 11.282 1.527 1.00 1.35 H new ATOM 0 HD3 ARG A 78 -13.108 12.938 1.943 1.00 1.35 H new ATOM 0 HE ARG A 78 -12.593 11.575 -0.575 1.00 2.35 H new ATOM 0 HH11 ARG A 78 -11.690 14.443 1.288 1.00 3.95 H new ATOM 0 HH12 ARG A 78 -10.881 15.156 -0.111 1.00 3.95 H new ATOM 0 HH21 ARG A 78 -11.449 12.460 -2.188 1.00 4.70 H new ATOM 0 HH22 ARG A 78 -10.749 14.072 -2.010 1.00 4.70 H new ATOM 1074 N ALA A 79 -11.615 8.560 5.980 1.00 0.88 N ATOM 1075 CA ALA A 79 -11.851 7.984 7.307 1.00 0.93 C ATOM 1076 C ALA A 79 -10.561 7.750 8.118 1.00 0.92 C ATOM 1077 O ALA A 79 -10.592 7.887 9.343 1.00 1.05 O ATOM 1078 CB ALA A 79 -12.652 6.683 7.175 1.00 0.91 C ATOM 0 H ALA A 79 -11.861 7.932 5.215 1.00 0.88 H new ATOM 0 HA ALA A 79 -12.426 8.719 7.870 1.00 0.93 H new ATOM 0 HB1 ALA A 79 -12.824 6.260 8.165 1.00 0.91 H new ATOM 0 HB2 ALA A 79 -13.610 6.892 6.698 1.00 0.91 H new ATOM 0 HB3 ALA A 79 -12.092 5.971 6.568 1.00 0.91 H new ATOM 1084 N VAL A 80 -9.423 7.450 7.478 1.00 0.83 N ATOM 1085 CA VAL A 80 -8.111 7.437 8.150 1.00 0.91 C ATOM 1086 C VAL A 80 -7.680 8.873 8.448 1.00 0.99 C ATOM 1087 O VAL A 80 -7.212 9.161 9.549 1.00 1.14 O ATOM 1088 CB VAL A 80 -7.046 6.714 7.301 1.00 0.87 C ATOM 1089 CG1 VAL A 80 -5.678 6.706 7.990 1.00 1.03 C ATOM 1090 CG2 VAL A 80 -7.417 5.249 7.056 1.00 0.82 C ATOM 0 H VAL A 80 -9.382 7.211 6.487 1.00 0.83 H new ATOM 0 HA VAL A 80 -8.206 6.885 9.085 1.00 0.91 H new ATOM 0 HB VAL A 80 -7.001 7.265 6.362 1.00 0.87 H new ATOM 0 HG11 VAL A 80 -4.956 6.187 7.359 1.00 1.03 H new ATOM 0 HG12 VAL A 80 -5.347 7.732 8.153 1.00 1.03 H new ATOM 0 HG13 VAL A 80 -5.756 6.193 8.949 1.00 1.03 H new ATOM 0 HG21 VAL A 80 -6.643 4.773 6.454 1.00 0.82 H new ATOM 0 HG22 VAL A 80 -7.504 4.731 8.011 1.00 0.82 H new ATOM 0 HG23 VAL A 80 -8.369 5.198 6.528 1.00 0.82 H new ATOM 1100 N GLY A 81 -7.865 9.776 7.480 1.00 0.94 N ATOM 1101 CA GLY A 81 -7.509 11.192 7.579 1.00 1.04 C ATOM 1102 C GLY A 81 -6.016 11.462 7.359 1.00 1.14 C ATOM 1103 O GLY A 81 -5.574 12.611 7.442 1.00 1.24 O ATOM 0 H GLY A 81 -8.279 9.533 6.580 1.00 0.94 H new ATOM 0 HA2 GLY A 81 -8.084 11.756 6.845 1.00 1.04 H new ATOM 0 HA3 GLY A 81 -7.797 11.563 8.563 1.00 1.04 H new ATOM 1107 N ASN A 82 -5.243 10.416 7.068 1.00 1.16 N ATOM 1108 CA ASN A 82 -3.810 10.450 6.783 1.00 1.26 C ATOM 1109 C ASN A 82 -3.466 9.317 5.793 1.00 1.18 C ATOM 1110 O ASN A 82 -4.274 8.417 5.554 1.00 1.12 O ATOM 1111 CB ASN A 82 -3.045 10.340 8.125 1.00 1.35 C ATOM 1112 CG ASN A 82 -1.589 10.778 8.050 1.00 1.55 C ATOM 1113 OD1 ASN A 82 -1.261 11.948 8.214 1.00 2.62 O ATOM 1114 ND2 ASN A 82 -0.679 9.882 7.751 1.00 1.53 N ATOM 0 H ASN A 82 -5.622 9.470 7.022 1.00 1.16 H new ATOM 0 HA ASN A 82 -3.512 11.385 6.309 1.00 1.26 H new ATOM 0 HB2 ASN A 82 -3.557 10.945 8.873 1.00 1.35 H new ATOM 0 HB3 ASN A 82 -3.085 9.307 8.470 1.00 1.35 H new ATOM 0 HD21 ASN A 82 0.298 10.159 7.656 1.00 1.53 H new ATOM 0 HD22 ASN A 82 -0.948 8.908 7.614 1.00 1.53 H new ATOM 1121 N MET A 83 -2.250 9.318 5.250 1.00 1.22 N ATOM 1122 CA MET A 83 -1.672 8.163 4.572 1.00 1.23 C ATOM 1123 C MET A 83 -1.521 7.014 5.595 1.00 1.23 C ATOM 1124 O MET A 83 -0.988 7.255 6.680 1.00 1.41 O ATOM 1125 CB MET A 83 -0.308 8.598 4.011 1.00 1.41 C ATOM 1126 CG MET A 83 0.302 7.673 2.950 1.00 1.50 C ATOM 1127 SD MET A 83 0.026 8.185 1.230 1.00 1.57 S ATOM 1128 CE MET A 83 -1.712 7.717 1.024 1.00 1.35 C ATOM 0 H MET A 83 -1.633 10.130 5.269 1.00 1.22 H new ATOM 0 HA MET A 83 -2.302 7.808 3.756 1.00 1.23 H new ATOM 0 HB2 MET A 83 -0.414 9.594 3.580 1.00 1.41 H new ATOM 0 HB3 MET A 83 0.395 8.682 4.840 1.00 1.41 H new ATOM 0 HG2 MET A 83 1.376 7.604 3.124 1.00 1.50 H new ATOM 0 HG3 MET A 83 -0.107 6.672 3.085 1.00 1.50 H new ATOM 0 HE1 MET A 83 -1.979 7.765 -0.032 1.00 1.35 H new ATOM 0 HE2 MET A 83 -1.861 6.701 1.390 1.00 1.35 H new ATOM 0 HE3 MET A 83 -2.343 8.403 1.589 1.00 1.35 H new ATOM 1138 N PRO A 84 -1.944 5.771 5.292 1.00 1.12 N ATOM 1139 CA PRO A 84 -1.715 4.638 6.192 1.00 1.14 C ATOM 1140 C PRO A 84 -0.240 4.184 6.209 1.00 1.35 C ATOM 1141 O PRO A 84 0.170 3.417 7.086 1.00 1.57 O ATOM 1142 CB PRO A 84 -2.686 3.547 5.730 1.00 1.01 C ATOM 1143 CG PRO A 84 -3.100 3.908 4.299 1.00 0.99 C ATOM 1144 CD PRO A 84 -2.739 5.389 4.136 1.00 1.04 C ATOM 0 HA PRO A 84 -1.905 4.906 7.231 1.00 1.14 H new ATOM 0 HB2 PRO A 84 -2.210 2.567 5.760 1.00 1.01 H new ATOM 0 HB3 PRO A 84 -3.556 3.500 6.385 1.00 1.01 H new ATOM 0 HG2 PRO A 84 -2.574 3.292 3.570 1.00 0.99 H new ATOM 0 HG3 PRO A 84 -4.166 3.744 4.145 1.00 0.99 H new ATOM 0 HD2 PRO A 84 -2.179 5.549 3.215 1.00 1.04 H new ATOM 0 HD3 PRO A 84 -3.640 5.999 4.071 1.00 1.04 H new ATOM 1152 N TYR A 85 0.561 4.692 5.264 1.00 1.37 N ATOM 1153 CA TYR A 85 1.991 4.412 5.070 1.00 1.64 C ATOM 1154 C TYR A 85 2.861 5.679 5.072 1.00 1.67 C ATOM 1155 O TYR A 85 4.098 5.565 4.902 1.00 2.07 O ATOM 1156 CB TYR A 85 2.173 3.543 3.809 1.00 1.73 C ATOM 1157 CG TYR A 85 1.502 4.052 2.542 1.00 1.58 C ATOM 1158 CD1 TYR A 85 0.138 3.778 2.319 1.00 2.31 C ATOM 1159 CD2 TYR A 85 2.241 4.744 1.564 1.00 2.69 C ATOM 1160 CE1 TYR A 85 -0.494 4.200 1.133 1.00 2.21 C ATOM 1161 CE2 TYR A 85 1.622 5.142 0.360 1.00 3.01 C ATOM 1162 CZ TYR A 85 0.253 4.866 0.138 1.00 1.95 C ATOM 1163 OH TYR A 85 -0.344 5.206 -1.038 1.00 2.30 O ATOM 0 H TYR A 85 0.206 5.351 4.571 1.00 1.37 H new ATOM 0 HA TYR A 85 2.353 3.846 5.928 1.00 1.64 H new ATOM 0 HB2 TYR A 85 3.241 3.441 3.614 1.00 1.73 H new ATOM 0 HB3 TYR A 85 1.791 2.545 4.022 1.00 1.73 H new ATOM 0 HD1 TYR A 85 -0.428 3.239 3.064 1.00 2.31 H new ATOM 0 HD2 TYR A 85 3.283 4.971 1.735 1.00 2.69 H new ATOM 0 HE1 TYR A 85 -1.548 4.014 0.985 1.00 2.21 H new ATOM 0 HE2 TYR A 85 2.196 5.659 -0.395 1.00 3.01 H new ATOM 0 HH TYR A 85 0.305 5.659 -1.616 1.00 2.30 H new TER 1173 TYR A 85