USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 852 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= -0.135 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 29 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.42) USER MOD Single : A 31 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9) USER MOD Single : A 32 GLN :FLIP amide:sc= -5.65! C(o=-6.3!,f=-5.7!) USER MOD Single : A 33 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.074) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00745 USER MOD Single : A 55 ASN : amide:sc= -0.208 K(o=-0.21,f=-5.2!) USER MOD Single : A 58 SER OG : rot 142:sc= -1.82! USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0631) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.262) USER MOD Single : A 70 TYR OH : rot 70:sc= 0.145 USER MOD Single : A 71 THR OG1 : rot -71:sc= 0.704 USER MOD Single : A 73 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 92:sc= 0.533 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 54:sc= 0.295 USER MOD Single : A 88 MET CE :methyl -108:sc= -0.329 (180deg=-2.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 103 SER OG : rot 180:sc= -2.69! USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 49:sc= -2.79! USER MOD Single : B 15 THR OG1 : rot 63:sc= 0.139 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.144) USER MOD Single : B 23 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.2) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-3.4!) USER MOD Single : B 30 ASN : amide:sc= -0.0185 K(o=-0.018,f=-2.4!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 17 -12.549 21.951 35.439 1.00 0.00 N ATOM 2 CA SER A 17 -12.056 23.272 35.908 1.00 0.00 C ATOM 3 C SER A 17 -12.539 24.397 34.999 1.00 0.00 C ATOM 4 O SER A 17 -12.211 25.565 35.212 1.00 0.00 O ATOM 5 CB SER A 17 -10.526 23.237 35.936 1.00 0.00 C ATOM 6 OG SER A 17 -10.040 23.231 37.267 1.00 0.00 O ATOM 0 HA SER A 17 -12.448 23.466 36.906 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.170 22.350 35.412 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.130 24.102 35.405 1.00 0.00 H new ATOM 0 HG SER A 17 -9.060 23.207 37.257 1.00 0.00 H new ATOM 11 N LYS A 18 -13.320 24.038 33.985 1.00 0.00 N ATOM 12 CA LYS A 18 -13.850 25.017 33.043 1.00 0.00 C ATOM 13 C LYS A 18 -15.338 24.782 32.792 1.00 0.00 C ATOM 14 O LYS A 18 -15.801 23.642 32.786 1.00 0.00 O ATOM 15 CB LYS A 18 -13.081 24.952 31.722 1.00 0.00 C ATOM 16 CG LYS A 18 -11.686 25.551 31.800 1.00 0.00 C ATOM 17 CD LYS A 18 -10.641 24.607 31.227 1.00 0.00 C ATOM 18 CE LYS A 18 -9.792 23.985 32.323 1.00 0.00 C ATOM 19 NZ LYS A 18 -9.493 22.553 32.049 1.00 0.00 N ATOM 0 H LYS A 18 -13.600 23.076 33.795 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.726 26.008 33.479 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.003 23.911 31.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.650 25.476 30.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.663 26.495 31.255 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.443 25.777 32.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.134 23.820 30.656 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.000 25.150 30.533 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.858 24.539 32.417 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.311 24.071 33.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.912 22.166 32.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.383 22.019 31.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.975 22.472 31.151 1.00 0.00 H new ATOM 33 N PRO A 19 -16.110 25.864 32.582 1.00 0.00 N ATOM 34 CA PRO A 19 -17.551 25.768 32.333 1.00 0.00 C ATOM 35 C PRO A 19 -17.867 25.254 30.932 1.00 0.00 C ATOM 36 O PRO A 19 -18.739 24.403 30.754 1.00 0.00 O ATOM 37 CB PRO A 19 -18.032 27.210 32.494 1.00 0.00 C ATOM 38 CG PRO A 19 -16.850 28.042 32.133 1.00 0.00 C ATOM 39 CD PRO A 19 -15.640 27.263 32.576 1.00 0.00 C ATOM 0 HA PRO A 19 -18.035 25.063 33.008 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -18.879 27.421 31.842 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.359 27.407 33.515 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.820 28.232 31.060 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.891 29.013 32.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.802 27.401 31.893 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.301 27.576 33.564 1.00 0.00 H new ATOM 47 N GLY A 20 -17.154 25.779 29.941 1.00 0.00 N ATOM 48 CA GLY A 20 -17.372 25.364 28.567 1.00 0.00 C ATOM 49 C GLY A 20 -17.417 26.540 27.610 1.00 0.00 C ATOM 50 O GLY A 20 -16.826 27.586 27.878 1.00 0.00 O ATOM 0 H GLY A 20 -16.428 26.485 30.065 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.576 24.683 28.265 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.308 24.809 28.502 1.00 0.00 H new ATOM 54 N CYS A 21 -18.123 26.371 26.496 1.00 0.00 N ATOM 55 CA CYS A 21 -18.249 27.427 25.498 1.00 0.00 C ATOM 56 C CYS A 21 -19.592 27.327 24.786 1.00 0.00 C ATOM 57 O CYS A 21 -19.834 26.387 24.028 1.00 0.00 O ATOM 58 CB CYS A 21 -17.114 27.336 24.475 1.00 0.00 C ATOM 59 SG CYS A 21 -15.448 27.317 25.208 1.00 0.00 S ATOM 0 H CYS A 21 -18.618 25.510 26.262 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.188 28.388 26.009 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.247 26.432 23.881 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.188 28.181 23.791 1.00 0.00 H new ATOM 64 N TYR A 22 -20.467 28.294 25.038 1.00 0.00 N ATOM 65 CA TYR A 22 -21.788 28.303 24.426 1.00 0.00 C ATOM 66 C TYR A 22 -21.804 29.170 23.168 1.00 0.00 C ATOM 67 O TYR A 22 -21.619 30.385 23.233 1.00 0.00 O ATOM 68 CB TYR A 22 -22.829 28.798 25.439 1.00 0.00 C ATOM 69 CG TYR A 22 -24.057 29.425 24.816 1.00 0.00 C ATOM 70 CD1 TYR A 22 -24.990 28.653 24.133 1.00 0.00 C ATOM 71 CD2 TYR A 22 -24.285 30.791 24.917 1.00 0.00 C ATOM 72 CE1 TYR A 22 -26.114 29.227 23.566 1.00 0.00 C ATOM 73 CE2 TYR A 22 -25.404 31.370 24.355 1.00 0.00 C ATOM 74 CZ TYR A 22 -26.315 30.586 23.681 1.00 0.00 C ATOM 75 OH TYR A 22 -27.432 31.162 23.120 1.00 0.00 O ATOM 0 H TYR A 22 -20.285 29.081 25.661 1.00 0.00 H new ATOM 0 HA TYR A 22 -22.040 27.285 24.130 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -23.140 27.959 26.061 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -22.358 29.527 26.099 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -24.835 27.588 24.044 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -23.575 31.410 25.444 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -26.829 28.615 23.037 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -25.565 32.434 24.443 1.00 0.00 H new ATOM 0 HH TYR A 22 -27.424 32.127 23.292 1.00 0.00 H new ATOM 85 N ASP A 23 -22.031 28.529 22.027 1.00 0.00 N ATOM 86 CA ASP A 23 -22.079 29.224 20.745 1.00 0.00 C ATOM 87 C ASP A 23 -23.420 29.931 20.584 1.00 0.00 C ATOM 88 O ASP A 23 -24.338 29.706 21.368 1.00 0.00 O ATOM 89 CB ASP A 23 -21.850 28.230 19.600 1.00 0.00 C ATOM 90 CG ASP A 23 -22.371 28.731 18.266 1.00 0.00 C ATOM 91 OD1 ASP A 23 -21.638 29.479 17.586 1.00 0.00 O ATOM 92 OD2 ASP A 23 -23.512 28.375 17.903 1.00 0.00 O ATOM 0 H ASP A 23 -22.186 27.523 21.964 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.288 29.973 20.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.783 28.024 19.513 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.338 27.286 19.843 1.00 0.00 H new ATOM 97 N ASN A 24 -23.523 30.795 19.579 1.00 0.00 N ATOM 98 CA ASN A 24 -24.753 31.541 19.330 1.00 0.00 C ATOM 99 C ASN A 24 -25.853 30.635 18.768 1.00 0.00 C ATOM 100 O ASN A 24 -26.488 30.961 17.765 1.00 0.00 O ATOM 101 CB ASN A 24 -24.485 32.695 18.362 1.00 0.00 C ATOM 102 CG ASN A 24 -24.529 34.046 19.047 1.00 0.00 C ATOM 103 OD1 ASN A 24 -23.586 34.438 19.736 1.00 0.00 O ATOM 104 ND2 ASN A 24 -25.628 34.768 18.863 1.00 0.00 N ATOM 0 H ASN A 24 -22.769 30.996 18.923 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.098 31.941 20.283 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.508 32.557 17.899 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.224 32.673 17.561 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.715 35.685 19.300 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -26.386 34.405 18.284 1.00 0.00 H new ATOM 111 N GLY A 25 -26.070 29.496 19.423 1.00 0.00 N ATOM 112 CA GLY A 25 -27.086 28.560 18.983 1.00 0.00 C ATOM 113 C GLY A 25 -26.995 27.232 19.708 1.00 0.00 C ATOM 114 O GLY A 25 -27.914 26.846 20.429 1.00 0.00 O ATOM 0 H GLY A 25 -25.556 29.206 20.255 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -28.072 28.994 19.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.984 28.394 17.911 1.00 0.00 H new ATOM 118 N LYS A 26 -25.880 26.532 19.516 1.00 0.00 N ATOM 119 CA LYS A 26 -25.665 25.239 20.157 1.00 0.00 C ATOM 120 C LYS A 26 -24.624 25.349 21.265 1.00 0.00 C ATOM 121 O LYS A 26 -23.640 26.077 21.135 1.00 0.00 O ATOM 122 CB LYS A 26 -25.219 24.203 19.124 1.00 0.00 C ATOM 123 CG LYS A 26 -26.219 23.078 18.917 1.00 0.00 C ATOM 124 CD LYS A 26 -25.598 21.911 18.166 1.00 0.00 C ATOM 125 CE LYS A 26 -26.623 21.196 17.301 1.00 0.00 C ATOM 126 NZ LYS A 26 -27.237 20.037 18.008 1.00 0.00 N ATOM 0 H LYS A 26 -25.111 26.839 18.921 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.608 24.919 20.599 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -25.046 24.704 18.171 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.266 23.777 19.438 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -26.587 22.735 19.884 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -27.080 23.452 18.362 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.782 22.273 17.541 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -25.167 21.207 18.878 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -27.404 21.898 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.146 20.850 16.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.930 19.577 17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -26.496 19.354 18.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.715 20.370 18.870 1.00 0.00 H new ATOM 140 N HIS A 27 -24.848 24.623 22.356 1.00 0.00 N ATOM 141 CA HIS A 27 -23.929 24.642 23.488 1.00 0.00 C ATOM 142 C HIS A 27 -22.880 23.542 23.359 1.00 0.00 C ATOM 143 O HIS A 27 -23.211 22.374 23.154 1.00 0.00 O ATOM 144 CB HIS A 27 -24.698 24.475 24.800 1.00 0.00 C ATOM 145 CG HIS A 27 -24.028 25.119 25.974 1.00 0.00 C ATOM 146 ND1 HIS A 27 -22.683 24.978 26.243 1.00 0.00 N ATOM 147 CD2 HIS A 27 -24.524 25.913 26.951 1.00 0.00 C ATOM 148 CE1 HIS A 27 -22.382 25.656 27.336 1.00 0.00 C ATOM 149 NE2 HIS A 27 -23.481 26.233 27.785 1.00 0.00 N ATOM 0 H HIS A 27 -25.657 24.015 22.480 1.00 0.00 H new ATOM 0 HA HIS A 27 -23.420 25.606 23.492 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -25.695 24.900 24.683 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -24.826 23.412 25.004 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -25.550 26.235 27.055 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -21.403 25.726 27.786 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.545 26.821 28.616 1.00 0.00 H new ATOM 158 N TYR A 28 -21.612 23.924 23.482 1.00 0.00 N ATOM 159 CA TYR A 28 -20.511 22.973 23.381 1.00 0.00 C ATOM 160 C TYR A 28 -19.657 23.002 24.648 1.00 0.00 C ATOM 161 O TYR A 28 -19.541 24.036 25.306 1.00 0.00 O ATOM 162 CB TYR A 28 -19.665 23.279 22.144 1.00 0.00 C ATOM 163 CG TYR A 28 -20.441 23.153 20.849 1.00 0.00 C ATOM 164 CD1 TYR A 28 -20.752 21.905 20.324 1.00 0.00 C ATOM 165 CD2 TYR A 28 -20.874 24.280 20.159 1.00 0.00 C ATOM 166 CE1 TYR A 28 -21.469 21.782 19.148 1.00 0.00 C ATOM 167 CE2 TYR A 28 -21.592 24.164 18.984 1.00 0.00 C ATOM 168 CZ TYR A 28 -21.887 22.915 18.484 1.00 0.00 C ATOM 169 OH TYR A 28 -22.603 22.796 17.314 1.00 0.00 O ATOM 0 H TYR A 28 -21.322 24.887 23.652 1.00 0.00 H new ATOM 0 HA TYR A 28 -20.922 21.969 23.278 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -19.266 24.290 22.225 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -18.812 22.601 22.117 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -20.428 21.015 20.843 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -20.646 25.261 20.548 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -21.700 20.804 18.752 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -21.921 25.049 18.460 1.00 0.00 H new ATOM 0 HH TYR A 28 -22.822 23.688 16.972 1.00 0.00 H new ATOM 179 N GLN A 29 -19.085 21.853 25.000 1.00 0.00 N ATOM 180 CA GLN A 29 -18.268 21.738 26.207 1.00 0.00 C ATOM 181 C GLN A 29 -16.834 22.199 25.984 1.00 0.00 C ATOM 182 O GLN A 29 -16.476 22.672 24.906 1.00 0.00 O ATOM 183 CB GLN A 29 -18.275 20.294 26.711 1.00 0.00 C ATOM 184 CG GLN A 29 -19.442 19.978 27.633 1.00 0.00 C ATOM 185 CD GLN A 29 -18.995 19.582 29.026 1.00 0.00 C ATOM 186 OE1 GLN A 29 -18.392 20.378 29.746 1.00 0.00 O ATOM 187 NE2 GLN A 29 -19.288 18.345 29.414 1.00 0.00 N ATOM 0 H GLN A 29 -19.172 20.988 24.467 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.710 22.395 26.957 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -18.305 19.619 25.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.342 20.097 27.239 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.094 20.849 27.699 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -20.032 19.170 27.202 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -19.790 17.718 28.785 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.011 18.022 30.341 1.00 0.00 H new ATOM 196 N ILE A 30 -16.021 22.060 27.029 1.00 0.00 N ATOM 197 CA ILE A 30 -14.622 22.457 26.977 1.00 0.00 C ATOM 198 C ILE A 30 -13.847 21.583 26.002 1.00 0.00 C ATOM 199 O ILE A 30 -14.061 20.372 25.935 1.00 0.00 O ATOM 200 CB ILE A 30 -13.954 22.375 28.363 1.00 0.00 C ATOM 201 CG1 ILE A 30 -14.920 22.849 29.451 1.00 0.00 C ATOM 202 CG2 ILE A 30 -12.676 23.200 28.385 1.00 0.00 C ATOM 203 CD1 ILE A 30 -15.431 21.731 30.334 1.00 0.00 C ATOM 0 H ILE A 30 -16.313 21.672 27.926 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.601 23.493 26.638 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.696 21.335 28.563 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.419 23.592 30.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.768 23.347 28.981 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.216 23.132 29.371 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.984 22.819 27.634 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.911 24.241 28.166 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.110 22.140 31.082 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.961 20.999 29.724 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.591 21.248 30.832 1.00 0.00 H new ATOM 215 N ASN A 31 -12.950 22.205 25.248 1.00 0.00 N ATOM 216 CA ASN A 31 -12.141 21.490 24.271 1.00 0.00 C ATOM 217 C ASN A 31 -13.022 20.780 23.249 1.00 0.00 C ATOM 218 O ASN A 31 -12.540 19.958 22.470 1.00 0.00 O ATOM 219 CB ASN A 31 -11.226 20.480 24.966 1.00 0.00 C ATOM 220 CG ASN A 31 -10.744 20.967 26.317 1.00 0.00 C ATOM 221 OD1 ASN A 31 -11.278 20.579 27.357 1.00 0.00 O ATOM 222 ND2 ASN A 31 -9.728 21.822 26.311 1.00 0.00 N ATOM 0 H ASN A 31 -12.764 23.207 25.295 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.525 22.221 23.747 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.760 19.538 25.092 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.365 20.276 24.329 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.360 22.183 27.191 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.315 22.117 25.426 1.00 0.00 H new ATOM 229 N GLN A 32 -14.312 21.114 23.238 1.00 0.00 N ATOM 230 CA GLN A 32 -15.234 20.515 22.288 1.00 0.00 C ATOM 231 C GLN A 32 -15.139 21.229 20.948 1.00 0.00 C ATOM 232 O GLN A 32 -14.972 22.447 20.898 1.00 0.00 O ATOM 233 CB GLN A 32 -16.666 20.567 22.813 1.00 0.00 C ATOM 234 CG GLN A 32 -17.291 19.195 22.958 1.00 0.00 C ATOM 235 CD GLN A 32 -18.774 19.251 23.264 1.00 0.00 C ATOM 236 OE1 GLN A 32 -19.512 20.024 22.476 1.00 0.00 O flip ATOM 237 NE2 GLN A 32 -19.251 18.608 24.198 1.00 0.00 N flip ATOM 0 H GLN A 32 -14.735 21.791 23.873 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.958 19.469 22.154 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.675 21.069 23.781 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.274 21.168 22.137 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.136 18.632 22.038 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.781 18.652 23.754 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.646 18.026 24.778 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.251 18.656 24.392 1.00 0.00 H new ATOM 246 N GLN A 33 -15.234 20.468 19.865 1.00 0.00 N ATOM 247 CA GLN A 33 -15.146 21.044 18.532 1.00 0.00 C ATOM 248 C GLN A 33 -16.429 20.814 17.743 1.00 0.00 C ATOM 249 O GLN A 33 -17.186 19.883 18.018 1.00 0.00 O ATOM 250 CB GLN A 33 -13.959 20.451 17.773 1.00 0.00 C ATOM 251 CG GLN A 33 -12.691 20.348 18.605 1.00 0.00 C ATOM 252 CD GLN A 33 -12.408 18.932 19.064 1.00 0.00 C ATOM 253 OE1 GLN A 33 -12.824 18.522 20.147 1.00 0.00 O ATOM 254 NE2 GLN A 33 -11.694 18.173 18.238 1.00 0.00 N ATOM 0 H GLN A 33 -15.371 19.457 19.884 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.001 22.118 18.645 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -14.229 19.458 17.413 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.758 21.064 16.895 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.846 20.712 18.020 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.779 20.998 19.476 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.369 18.553 17.349 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.472 17.211 18.493 1.00 0.00 H new ATOM 263 N TRP A 34 -16.650 21.661 16.744 1.00 0.00 N ATOM 264 CA TRP A 34 -17.822 21.549 15.887 1.00 0.00 C ATOM 265 C TRP A 34 -17.541 22.176 14.526 1.00 0.00 C ATOM 266 O TRP A 34 -16.660 23.026 14.395 1.00 0.00 O ATOM 267 CB TRP A 34 -19.057 22.187 16.537 1.00 0.00 C ATOM 268 CG TRP A 34 -18.913 23.635 16.885 1.00 0.00 C ATOM 269 CD1 TRP A 34 -19.488 24.674 16.227 1.00 0.00 C ATOM 270 CD2 TRP A 34 -18.185 24.203 17.981 1.00 0.00 C ATOM 271 NE1 TRP A 34 -19.156 25.862 16.831 1.00 0.00 N ATOM 272 CE2 TRP A 34 -18.356 25.600 17.911 1.00 0.00 C ATOM 273 CE3 TRP A 34 -17.402 23.674 19.011 1.00 0.00 C ATOM 274 CZ2 TRP A 34 -17.777 26.470 18.830 1.00 0.00 C ATOM 275 CZ3 TRP A 34 -16.828 24.540 19.923 1.00 0.00 C ATOM 276 CH2 TRP A 34 -17.018 25.924 19.827 1.00 0.00 C ATOM 0 H TRP A 34 -16.030 22.435 16.508 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.038 20.490 15.747 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -19.904 22.074 15.860 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -19.298 21.633 17.444 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.116 24.580 15.354 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.456 26.788 16.525 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -17.248 22.608 19.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -17.922 27.538 18.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.222 24.142 20.724 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.555 26.573 20.556 1.00 0.00 H new ATOM 287 N GLU A 35 -18.272 21.732 13.510 1.00 0.00 N ATOM 288 CA GLU A 35 -18.077 22.233 12.154 1.00 0.00 C ATOM 289 C GLU A 35 -18.883 23.501 11.893 1.00 0.00 C ATOM 290 O GLU A 35 -20.043 23.612 12.291 1.00 0.00 O ATOM 291 CB GLU A 35 -18.452 21.157 11.136 1.00 0.00 C ATOM 292 CG GLU A 35 -17.615 19.893 11.254 1.00 0.00 C ATOM 293 CD GLU A 35 -18.061 18.806 10.295 1.00 0.00 C ATOM 294 OE1 GLU A 35 -19.241 18.402 10.365 1.00 0.00 O ATOM 295 OE2 GLU A 35 -17.231 18.359 9.477 1.00 0.00 O ATOM 0 H GLU A 35 -19.004 21.027 13.599 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.022 22.484 12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.504 20.900 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.341 21.564 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.570 20.135 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.673 19.517 12.276 1.00 0.00 H new ATOM 302 N ARG A 36 -18.250 24.449 11.209 1.00 0.00 N ATOM 303 CA ARG A 36 -18.880 25.718 10.867 1.00 0.00 C ATOM 304 C ARG A 36 -18.240 26.294 9.609 1.00 0.00 C ATOM 305 O ARG A 36 -17.142 25.895 9.233 1.00 0.00 O ATOM 306 CB ARG A 36 -18.747 26.710 12.025 1.00 0.00 C ATOM 307 CG ARG A 36 -19.953 27.621 12.188 1.00 0.00 C ATOM 308 CD ARG A 36 -19.541 29.082 12.277 1.00 0.00 C ATOM 309 NE ARG A 36 -20.177 29.894 11.244 1.00 0.00 N ATOM 310 CZ ARG A 36 -21.379 30.446 11.376 1.00 0.00 C ATOM 311 NH1 ARG A 36 -22.073 30.274 12.493 1.00 0.00 N ATOM 312 NH2 ARG A 36 -21.889 31.171 10.390 1.00 0.00 N ATOM 0 H ARG A 36 -17.290 24.359 10.878 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.939 25.543 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.593 26.156 12.951 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -17.859 27.322 11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.630 27.484 11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.502 27.342 13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.805 29.474 13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.458 29.159 12.183 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.671 30.046 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -21.685 29.717 13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.995 30.699 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -21.359 31.306 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.811 31.594 10.492 1.00 0.00 H new ATOM 326 N THR A 37 -18.928 27.224 8.957 1.00 0.00 N ATOM 327 CA THR A 37 -18.411 27.835 7.741 1.00 0.00 C ATOM 328 C THR A 37 -18.470 29.358 7.818 1.00 0.00 C ATOM 329 O THR A 37 -19.434 29.928 8.330 1.00 0.00 O ATOM 330 CB THR A 37 -19.190 27.363 6.499 1.00 0.00 C ATOM 331 OG1 THR A 37 -19.288 25.934 6.496 1.00 0.00 O ATOM 332 CG2 THR A 37 -18.512 27.831 5.220 1.00 0.00 C ATOM 0 H THR A 37 -19.842 27.570 9.250 1.00 0.00 H new ATOM 0 HA THR A 37 -17.371 27.521 7.649 1.00 0.00 H new ATOM 0 HB THR A 37 -20.189 27.797 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.786 25.642 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.082 27.484 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.466 28.920 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.502 27.424 5.174 1.00 0.00 H new ATOM 340 N TYR A 38 -17.428 30.012 7.309 1.00 0.00 N ATOM 341 CA TYR A 38 -17.355 31.467 7.322 1.00 0.00 C ATOM 342 C TYR A 38 -17.001 32.005 5.938 1.00 0.00 C ATOM 343 O TYR A 38 -15.908 31.762 5.424 1.00 0.00 O ATOM 344 CB TYR A 38 -16.329 31.927 8.367 1.00 0.00 C ATOM 345 CG TYR A 38 -15.534 33.156 7.979 1.00 0.00 C ATOM 346 CD1 TYR A 38 -16.157 34.384 7.781 1.00 0.00 C ATOM 347 CD2 TYR A 38 -14.156 33.088 7.819 1.00 0.00 C ATOM 348 CE1 TYR A 38 -15.427 35.505 7.434 1.00 0.00 C ATOM 349 CE2 TYR A 38 -13.420 34.204 7.471 1.00 0.00 C ATOM 350 CZ TYR A 38 -14.060 35.410 7.280 1.00 0.00 C ATOM 351 OH TYR A 38 -13.331 36.525 6.936 1.00 0.00 O ATOM 0 H TYR A 38 -16.623 29.554 6.882 1.00 0.00 H new ATOM 0 HA TYR A 38 -18.333 31.866 7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -16.850 32.129 9.303 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -15.635 31.109 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.228 34.463 7.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -13.651 32.145 7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -15.925 36.451 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.349 34.132 7.349 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.383 36.288 6.869 1.00 0.00 H new ATOM 361 N LEU A 39 -17.939 32.745 5.348 1.00 0.00 N ATOM 362 CA LEU A 39 -17.751 33.341 4.027 1.00 0.00 C ATOM 363 C LEU A 39 -17.680 32.285 2.924 1.00 0.00 C ATOM 364 O LEU A 39 -17.822 32.606 1.743 1.00 0.00 O ATOM 365 CB LEU A 39 -16.489 34.207 4.008 1.00 0.00 C ATOM 366 CG LEU A 39 -16.739 35.711 3.872 1.00 0.00 C ATOM 367 CD1 LEU A 39 -17.607 36.219 5.015 1.00 0.00 C ATOM 368 CD2 LEU A 39 -15.422 36.468 3.821 1.00 0.00 C ATOM 0 H LEU A 39 -18.845 32.947 5.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.622 33.966 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.930 34.028 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.856 33.883 3.182 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.272 35.886 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.772 37.290 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.566 35.701 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.106 36.030 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.619 37.536 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.861 36.284 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.840 36.128 2.965 1.00 0.00 H new ATOM 380 N GLY A 40 -17.464 31.027 3.302 1.00 0.00 N ATOM 381 CA GLY A 40 -17.385 29.968 2.319 1.00 0.00 C ATOM 382 C GLY A 40 -16.419 28.865 2.708 1.00 0.00 C ATOM 383 O GLY A 40 -16.352 27.831 2.043 1.00 0.00 O ATOM 0 H GLY A 40 -17.343 30.726 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.377 29.540 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.078 30.391 1.362 1.00 0.00 H new ATOM 387 N ASN A 41 -15.669 29.080 3.785 1.00 0.00 N ATOM 388 CA ASN A 41 -14.711 28.092 4.251 1.00 0.00 C ATOM 389 C ASN A 41 -15.214 27.396 5.504 1.00 0.00 C ATOM 390 O ASN A 41 -15.655 28.046 6.446 1.00 0.00 O ATOM 391 CB ASN A 41 -13.356 28.740 4.538 1.00 0.00 C ATOM 392 CG ASN A 41 -12.373 28.561 3.398 1.00 0.00 C ATOM 393 OD1 ASN A 41 -11.470 27.728 3.467 1.00 0.00 O ATOM 394 ND2 ASN A 41 -12.544 29.345 2.341 1.00 0.00 N ATOM 0 H ASN A 41 -15.709 29.929 4.348 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.592 27.353 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.499 29.804 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.936 28.309 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.913 29.270 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.307 30.022 2.326 1.00 0.00 H new ATOM 401 N ALA A 42 -15.136 26.073 5.515 1.00 0.00 N ATOM 402 CA ALA A 42 -15.576 25.306 6.662 1.00 0.00 C ATOM 403 C ALA A 42 -14.449 25.165 7.677 1.00 0.00 C ATOM 404 O ALA A 42 -13.474 24.453 7.442 1.00 0.00 O ATOM 405 CB ALA A 42 -16.087 23.942 6.228 1.00 0.00 C ATOM 0 H ALA A 42 -14.773 25.514 4.743 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.397 25.841 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.413 23.380 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.927 24.069 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.288 23.398 5.724 1.00 0.00 H new ATOM 411 N LEU A 43 -14.591 25.856 8.801 1.00 0.00 N ATOM 412 CA LEU A 43 -13.590 25.818 9.859 1.00 0.00 C ATOM 413 C LEU A 43 -14.168 25.181 11.118 1.00 0.00 C ATOM 414 O LEU A 43 -15.270 25.528 11.542 1.00 0.00 O ATOM 415 CB LEU A 43 -13.087 27.229 10.211 1.00 0.00 C ATOM 416 CG LEU A 43 -13.467 28.365 9.250 1.00 0.00 C ATOM 417 CD1 LEU A 43 -12.925 28.095 7.857 1.00 0.00 C ATOM 418 CD2 LEU A 43 -14.972 28.579 9.223 1.00 0.00 C ATOM 0 H LEU A 43 -15.394 26.452 9.004 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.755 25.224 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.461 27.485 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.000 27.193 10.280 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.010 29.285 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.206 28.912 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.839 28.018 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.341 27.161 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.212 29.389 8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.464 27.664 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.321 28.837 10.223 1.00 0.00 H new ATOM 430 N VAL A 44 -13.418 24.270 11.731 1.00 0.00 N ATOM 431 CA VAL A 44 -13.879 23.631 12.957 1.00 0.00 C ATOM 432 C VAL A 44 -13.486 24.481 14.161 1.00 0.00 C ATOM 433 O VAL A 44 -12.309 24.771 14.376 1.00 0.00 O ATOM 434 CB VAL A 44 -13.324 22.198 13.120 1.00 0.00 C ATOM 435 CG1 VAL A 44 -13.660 21.356 11.900 1.00 0.00 C ATOM 436 CG2 VAL A 44 -11.825 22.211 13.370 1.00 0.00 C ATOM 0 H VAL A 44 -12.502 23.962 11.404 1.00 0.00 H new ATOM 0 HA VAL A 44 -14.964 23.551 12.895 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.800 21.750 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.262 20.350 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.742 21.305 11.780 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.217 21.808 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.466 21.188 13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.320 22.684 12.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.613 22.770 14.281 1.00 0.00 H new ATOM 446 N CYS A 45 -14.482 24.908 14.924 1.00 0.00 N ATOM 447 CA CYS A 45 -14.238 25.752 16.084 1.00 0.00 C ATOM 448 C CYS A 45 -13.916 24.931 17.325 1.00 0.00 C ATOM 449 O CYS A 45 -14.483 23.860 17.543 1.00 0.00 O ATOM 450 CB CYS A 45 -15.456 26.634 16.362 1.00 0.00 C ATOM 451 SG CYS A 45 -16.072 27.543 14.910 1.00 0.00 S ATOM 0 H CYS A 45 -15.464 24.685 14.761 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.374 26.375 15.855 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -16.260 26.010 16.753 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.200 27.350 17.143 1.00 0.00 H new ATOM 456 N THR A 46 -13.021 25.468 18.148 1.00 0.00 N ATOM 457 CA THR A 46 -12.632 24.822 19.393 1.00 0.00 C ATOM 458 C THR A 46 -13.317 25.522 20.559 1.00 0.00 C ATOM 459 O THR A 46 -14.218 26.331 20.350 1.00 0.00 O ATOM 460 CB THR A 46 -11.106 24.854 19.602 1.00 0.00 C ATOM 461 OG1 THR A 46 -10.441 24.990 18.340 1.00 0.00 O ATOM 462 CG2 THR A 46 -10.626 23.588 20.298 1.00 0.00 C ATOM 0 H THR A 46 -12.550 26.355 17.972 1.00 0.00 H new ATOM 0 HA THR A 46 -12.941 23.778 19.341 1.00 0.00 H new ATOM 0 HB THR A 46 -10.867 25.710 20.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.472 25.011 18.482 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.546 23.635 20.434 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.111 23.501 21.270 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.878 22.720 19.689 1.00 0.00 H new ATOM 470 N CYS A 47 -12.901 25.222 21.784 1.00 0.00 N ATOM 471 CA CYS A 47 -13.512 25.855 22.947 1.00 0.00 C ATOM 472 C CYS A 47 -12.473 26.264 23.982 1.00 0.00 C ATOM 473 O CYS A 47 -11.589 25.486 24.339 1.00 0.00 O ATOM 474 CB CYS A 47 -14.547 24.921 23.577 1.00 0.00 C ATOM 475 SG CYS A 47 -14.980 25.344 25.296 1.00 0.00 S ATOM 0 H CYS A 47 -12.157 24.557 21.996 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.009 26.762 22.603 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -15.453 24.938 22.971 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.164 23.901 23.550 1.00 0.00 H new ATOM 480 N TYR A 48 -12.600 27.499 24.460 1.00 0.00 N ATOM 481 CA TYR A 48 -11.692 28.043 25.459 1.00 0.00 C ATOM 482 C TYR A 48 -12.472 28.539 26.672 1.00 0.00 C ATOM 483 O TYR A 48 -12.137 28.228 27.815 1.00 0.00 O ATOM 484 CB TYR A 48 -10.873 29.187 24.853 1.00 0.00 C ATOM 485 CG TYR A 48 -10.246 28.843 23.519 1.00 0.00 C ATOM 486 CD1 TYR A 48 -9.606 27.625 23.323 1.00 0.00 C ATOM 487 CD2 TYR A 48 -10.299 29.735 22.457 1.00 0.00 C ATOM 488 CE1 TYR A 48 -9.036 27.308 22.106 1.00 0.00 C ATOM 489 CE2 TYR A 48 -9.732 29.424 21.236 1.00 0.00 C ATOM 490 CZ TYR A 48 -9.101 28.209 21.065 1.00 0.00 C ATOM 491 OH TYR A 48 -8.535 27.896 19.851 1.00 0.00 O ATOM 0 H TYR A 48 -13.332 28.146 24.166 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.013 27.254 25.783 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.517 30.058 24.729 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.086 29.470 25.553 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.554 26.915 24.135 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.791 30.687 22.587 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.541 26.358 21.970 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.782 30.129 20.419 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.566 26.926 19.716 1.00 0.00 H new ATOM 501 N GLY A 49 -13.519 29.312 26.405 1.00 0.00 N ATOM 502 CA GLY A 49 -14.349 29.847 27.471 1.00 0.00 C ATOM 503 C GLY A 49 -15.208 31.007 27.009 1.00 0.00 C ATOM 504 O GLY A 49 -14.919 31.632 25.989 1.00 0.00 O ATOM 0 H GLY A 49 -13.810 29.579 25.465 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.990 29.056 27.860 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.713 30.175 28.293 1.00 0.00 H new ATOM 508 N GLY A 50 -16.268 31.297 27.760 1.00 0.00 N ATOM 509 CA GLY A 50 -17.154 32.391 27.404 1.00 0.00 C ATOM 510 C GLY A 50 -16.422 33.711 27.270 1.00 0.00 C ATOM 511 O GLY A 50 -16.816 34.569 26.479 1.00 0.00 O ATOM 0 H GLY A 50 -16.528 30.794 28.608 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.653 32.159 26.463 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.932 32.486 28.162 1.00 0.00 H new ATOM 515 N SER A 51 -15.353 33.874 28.044 1.00 0.00 N ATOM 516 CA SER A 51 -14.563 35.099 28.009 1.00 0.00 C ATOM 517 C SER A 51 -13.382 34.957 27.053 1.00 0.00 C ATOM 518 O SER A 51 -12.968 35.924 26.413 1.00 0.00 O ATOM 519 CB SER A 51 -14.059 35.445 29.412 1.00 0.00 C ATOM 520 OG SER A 51 -14.732 34.682 30.399 1.00 0.00 O ATOM 0 H SER A 51 -15.014 33.173 28.703 1.00 0.00 H new ATOM 0 HA SER A 51 -15.203 35.905 27.651 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.987 35.259 29.473 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.209 36.507 29.604 1.00 0.00 H new ATOM 0 HG SER A 51 -14.391 34.921 31.286 1.00 0.00 H new ATOM 526 N ARG A 52 -12.842 33.745 26.965 1.00 0.00 N ATOM 527 CA ARG A 52 -11.707 33.474 26.089 1.00 0.00 C ATOM 528 C ARG A 52 -12.169 33.204 24.661 1.00 0.00 C ATOM 529 O ARG A 52 -11.351 32.991 23.766 1.00 0.00 O ATOM 530 CB ARG A 52 -10.910 32.279 26.612 1.00 0.00 C ATOM 531 CG ARG A 52 -9.653 32.672 27.372 1.00 0.00 C ATOM 532 CD ARG A 52 -8.440 32.718 26.458 1.00 0.00 C ATOM 533 NE ARG A 52 -7.367 33.540 27.011 1.00 0.00 N ATOM 534 CZ ARG A 52 -6.630 34.378 26.287 1.00 0.00 C ATOM 535 NH1 ARG A 52 -6.850 34.503 24.985 1.00 0.00 N ATOM 536 NH2 ARG A 52 -5.674 35.091 26.865 1.00 0.00 N ATOM 0 H ARG A 52 -13.172 32.935 27.490 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.068 34.357 26.082 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.549 31.685 27.265 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.633 31.642 25.772 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.797 33.648 27.836 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.476 31.959 28.177 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.072 31.705 26.293 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.734 33.113 25.485 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.172 33.467 28.009 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.585 33.956 24.537 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.284 35.146 24.432 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.503 34.998 27.866 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.110 35.733 26.309 1.00 0.00 H new ATOM 550 N GLY A 53 -13.483 33.212 24.455 1.00 0.00 N ATOM 551 CA GLY A 53 -14.030 32.963 23.134 1.00 0.00 C ATOM 552 C GLY A 53 -13.566 31.641 22.555 1.00 0.00 C ATOM 553 O GLY A 53 -12.983 30.818 23.261 1.00 0.00 O ATOM 0 H GLY A 53 -14.179 33.387 25.180 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.119 32.971 23.187 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.738 33.772 22.465 1.00 0.00 H new ATOM 557 N PHE A 54 -13.825 31.435 21.268 1.00 0.00 N ATOM 558 CA PHE A 54 -13.429 30.205 20.593 1.00 0.00 C ATOM 559 C PHE A 54 -12.811 30.519 19.231 1.00 0.00 C ATOM 560 O PHE A 54 -13.190 31.492 18.580 1.00 0.00 O ATOM 561 CB PHE A 54 -14.637 29.283 20.419 1.00 0.00 C ATOM 562 CG PHE A 54 -15.855 29.975 19.875 1.00 0.00 C ATOM 563 CD1 PHE A 54 -16.757 30.590 20.728 1.00 0.00 C ATOM 564 CD2 PHE A 54 -16.098 30.008 18.511 1.00 0.00 C ATOM 565 CE1 PHE A 54 -17.879 31.226 20.230 1.00 0.00 C ATOM 566 CE2 PHE A 54 -17.218 30.641 18.008 1.00 0.00 C ATOM 567 CZ PHE A 54 -18.110 31.252 18.869 1.00 0.00 C ATOM 0 H PHE A 54 -14.308 32.106 20.671 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.684 29.699 21.207 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.366 28.466 19.750 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.884 28.837 21.383 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.582 30.572 21.794 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.404 29.533 17.833 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.574 31.702 20.905 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.396 30.658 16.943 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.986 31.749 18.478 1.00 0.00 H new ATOM 577 N ASN A 55 -11.856 29.695 18.808 1.00 0.00 N ATOM 578 CA ASN A 55 -11.189 29.897 17.525 1.00 0.00 C ATOM 579 C ASN A 55 -11.676 28.889 16.486 1.00 0.00 C ATOM 580 O ASN A 55 -11.817 27.702 16.778 1.00 0.00 O ATOM 581 CB ASN A 55 -9.673 29.780 17.691 1.00 0.00 C ATOM 582 CG ASN A 55 -8.913 30.479 16.581 1.00 0.00 C ATOM 583 OD1 ASN A 55 -9.286 30.397 15.410 1.00 0.00 O ATOM 584 ND2 ASN A 55 -7.840 31.171 16.944 1.00 0.00 N ATOM 0 H ASN A 55 -11.528 28.884 19.333 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.436 30.899 17.173 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.382 30.206 18.651 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.393 28.727 17.712 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.288 31.662 16.241 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.568 31.212 17.926 1.00 0.00 H new ATOM 591 N CYS A 56 -11.927 29.370 15.270 1.00 0.00 N ATOM 592 CA CYS A 56 -12.395 28.509 14.191 1.00 0.00 C ATOM 593 C CYS A 56 -11.385 28.473 13.051 1.00 0.00 C ATOM 594 O CYS A 56 -11.344 29.384 12.223 1.00 0.00 O ATOM 595 CB CYS A 56 -13.741 29.007 13.658 1.00 0.00 C ATOM 596 SG CYS A 56 -15.003 29.266 14.942 1.00 0.00 S ATOM 0 H CYS A 56 -11.814 30.350 15.010 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.513 27.503 14.593 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.583 29.945 13.125 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.120 28.288 12.932 1.00 0.00 H new ATOM 601 N GLU A 57 -10.571 27.423 13.003 1.00 0.00 N ATOM 602 CA GLU A 57 -9.571 27.289 11.952 1.00 0.00 C ATOM 603 C GLU A 57 -10.053 26.324 10.873 1.00 0.00 C ATOM 604 O GLU A 57 -10.681 25.309 11.175 1.00 0.00 O ATOM 605 CB GLU A 57 -8.246 26.798 12.536 1.00 0.00 C ATOM 606 CG GLU A 57 -7.787 27.587 13.752 1.00 0.00 C ATOM 607 CD GLU A 57 -7.933 26.805 15.042 1.00 0.00 C ATOM 608 OE1 GLU A 57 -7.426 25.665 15.106 1.00 0.00 O ATOM 609 OE2 GLU A 57 -8.556 27.331 15.989 1.00 0.00 O ATOM 0 H GLU A 57 -10.585 26.657 13.676 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.417 28.269 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.347 25.748 12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.477 26.853 11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.744 27.874 13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.365 28.508 13.822 1.00 0.00 H new ATOM 616 N SER A 58 -9.758 26.653 9.618 1.00 0.00 N ATOM 617 CA SER A 58 -10.164 25.820 8.489 1.00 0.00 C ATOM 618 C SER A 58 -9.868 24.349 8.759 1.00 0.00 C ATOM 619 O SER A 58 -8.815 24.008 9.301 1.00 0.00 O ATOM 620 CB SER A 58 -9.443 26.270 7.216 1.00 0.00 C ATOM 621 OG SER A 58 -8.322 25.447 6.944 1.00 0.00 O ATOM 0 H SER A 58 -9.239 27.491 9.357 1.00 0.00 H new ATOM 0 HA SER A 58 -11.240 25.935 8.354 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.134 26.239 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.120 27.305 7.325 1.00 0.00 H new ATOM 0 HG SER A 58 -8.249 25.303 5.977 1.00 0.00 H new ATOM 627 N LYS A 59 -10.798 23.479 8.379 1.00 0.00 N ATOM 628 CA LYS A 59 -10.626 22.045 8.583 1.00 0.00 C ATOM 629 C LYS A 59 -10.058 21.378 7.331 1.00 0.00 C ATOM 630 O LYS A 59 -10.346 21.794 6.210 1.00 0.00 O ATOM 631 CB LYS A 59 -11.955 21.394 8.959 1.00 0.00 C ATOM 632 CG LYS A 59 -13.010 21.537 7.882 1.00 0.00 C ATOM 633 CD LYS A 59 -14.391 21.762 8.477 1.00 0.00 C ATOM 634 CE LYS A 59 -15.244 20.508 8.398 1.00 0.00 C ATOM 635 NZ LYS A 59 -16.109 20.499 7.186 1.00 0.00 N ATOM 0 H LYS A 59 -11.676 23.740 7.930 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.919 21.907 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.791 20.335 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.324 21.841 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.754 22.372 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.022 20.640 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.294 22.072 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.888 22.575 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.598 19.630 8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.867 20.437 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.612 19.591 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.800 21.274 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.520 20.626 6.338 1.00 0.00 H new ATOM 649 N PRO A 60 -9.235 20.331 7.513 1.00 0.00 N ATOM 650 CA PRO A 60 -8.618 19.603 6.416 1.00 0.00 C ATOM 651 C PRO A 60 -9.452 18.406 5.967 1.00 0.00 C ATOM 652 O PRO A 60 -9.560 17.410 6.683 1.00 0.00 O ATOM 653 CB PRO A 60 -7.302 19.140 7.034 1.00 0.00 C ATOM 654 CG PRO A 60 -7.591 18.971 8.496 1.00 0.00 C ATOM 655 CD PRO A 60 -8.834 19.775 8.812 1.00 0.00 C ATOM 0 HA PRO A 60 -8.506 20.212 5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.966 18.204 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.511 19.873 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.744 17.919 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.749 19.316 9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.618 19.148 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.627 20.562 9.537 1.00 0.00 H new ATOM 663 N GLU A 61 -10.040 18.511 4.779 1.00 0.00 N ATOM 664 CA GLU A 61 -10.864 17.441 4.235 1.00 0.00 C ATOM 665 C GLU A 61 -9.999 16.287 3.736 1.00 0.00 C ATOM 666 O GLU A 61 -8.812 16.206 4.053 1.00 0.00 O ATOM 667 CB GLU A 61 -11.728 17.978 3.095 1.00 0.00 C ATOM 668 CG GLU A 61 -10.959 18.834 2.102 1.00 0.00 C ATOM 669 CD GLU A 61 -11.089 20.318 2.387 1.00 0.00 C ATOM 670 OE1 GLU A 61 -12.203 20.760 2.740 1.00 0.00 O ATOM 671 OE2 GLU A 61 -10.077 21.038 2.258 1.00 0.00 O ATOM 0 H GLU A 61 -9.960 19.329 4.175 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.509 17.066 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.180 17.139 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.544 18.567 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.906 18.554 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.320 18.628 1.094 1.00 0.00 H new ATOM 678 N ALA A 62 -10.601 15.398 2.952 1.00 0.00 N ATOM 679 CA ALA A 62 -9.886 14.249 2.408 1.00 0.00 C ATOM 680 C ALA A 62 -9.589 14.442 0.925 1.00 0.00 C ATOM 681 O ALA A 62 -8.505 14.105 0.448 1.00 0.00 O ATOM 682 CB ALA A 62 -10.690 12.975 2.626 1.00 0.00 C ATOM 0 H ALA A 62 -11.582 15.451 2.679 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.936 14.160 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.144 12.126 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.848 12.823 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.654 13.063 2.126 1.00 0.00 H new ATOM 688 N GLU A 63 -10.558 14.994 0.204 1.00 0.00 N ATOM 689 CA GLU A 63 -10.405 15.239 -1.225 1.00 0.00 C ATOM 690 C GLU A 63 -9.813 16.623 -1.472 1.00 0.00 C ATOM 691 O GLU A 63 -10.427 17.469 -2.123 1.00 0.00 O ATOM 692 CB GLU A 63 -11.756 15.112 -1.933 1.00 0.00 C ATOM 693 CG GLU A 63 -12.076 13.696 -2.383 1.00 0.00 C ATOM 694 CD GLU A 63 -13.526 13.529 -2.795 1.00 0.00 C ATOM 695 OE1 GLU A 63 -14.411 13.691 -1.930 1.00 0.00 O ATOM 696 OE2 GLU A 63 -13.775 13.236 -3.983 1.00 0.00 O ATOM 0 H GLU A 63 -11.459 15.281 0.586 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.722 14.492 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.542 15.458 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.765 15.771 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.431 13.430 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.850 13.002 -1.574 1.00 0.00 H new ATOM 703 N GLU A 64 -8.615 16.847 -0.939 1.00 0.00 N ATOM 704 CA GLU A 64 -7.935 18.127 -1.092 1.00 0.00 C ATOM 705 C GLU A 64 -7.633 18.419 -2.559 1.00 0.00 C ATOM 706 O GLU A 64 -7.351 17.510 -3.339 1.00 0.00 O ATOM 707 CB GLU A 64 -6.638 18.134 -0.282 1.00 0.00 C ATOM 708 CG GLU A 64 -6.658 19.105 0.885 1.00 0.00 C ATOM 709 CD GLU A 64 -5.722 18.691 2.004 1.00 0.00 C ATOM 710 OE1 GLU A 64 -4.509 18.554 1.743 1.00 0.00 O ATOM 711 OE2 GLU A 64 -6.203 18.505 3.141 1.00 0.00 O ATOM 0 H GLU A 64 -8.096 16.157 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.598 18.907 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.449 17.129 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.808 18.388 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.379 20.098 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.673 19.179 1.274 1.00 0.00 H new ATOM 718 N THR A 65 -7.695 19.696 -2.923 1.00 0.00 N ATOM 719 CA THR A 65 -7.427 20.119 -4.292 1.00 0.00 C ATOM 720 C THR A 65 -6.780 21.499 -4.320 1.00 0.00 C ATOM 721 O THR A 65 -6.553 22.113 -3.275 1.00 0.00 O ATOM 722 CB THR A 65 -8.714 20.174 -5.134 1.00 0.00 C ATOM 723 OG1 THR A 65 -9.822 20.566 -4.316 1.00 0.00 O ATOM 724 CG2 THR A 65 -9.007 18.834 -5.783 1.00 0.00 C ATOM 0 H THR A 65 -7.929 20.458 -2.286 1.00 0.00 H new ATOM 0 HA THR A 65 -6.749 19.379 -4.717 1.00 0.00 H new ATOM 0 HB THR A 65 -8.565 20.911 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.636 20.600 -4.861 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.922 18.907 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.179 18.556 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.131 18.075 -5.011 1.00 0.00 H new ATOM 732 N CYS A 66 -6.498 21.985 -5.523 1.00 0.00 N ATOM 733 CA CYS A 66 -5.892 23.299 -5.701 1.00 0.00 C ATOM 734 C CYS A 66 -6.483 23.987 -6.927 1.00 0.00 C ATOM 735 O CYS A 66 -6.448 23.444 -8.029 1.00 0.00 O ATOM 736 CB CYS A 66 -4.374 23.173 -5.851 1.00 0.00 C ATOM 737 SG CYS A 66 -3.802 21.488 -6.241 1.00 0.00 S ATOM 0 H CYS A 66 -6.680 21.486 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.105 23.902 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.040 23.850 -6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.900 23.501 -4.926 1.00 0.00 H new ATOM 742 N PHE A 67 -7.038 25.178 -6.727 1.00 0.00 N ATOM 743 CA PHE A 67 -7.647 25.926 -7.821 1.00 0.00 C ATOM 744 C PHE A 67 -6.699 26.989 -8.361 1.00 0.00 C ATOM 745 O PHE A 67 -6.036 27.694 -7.601 1.00 0.00 O ATOM 746 CB PHE A 67 -8.949 26.583 -7.355 1.00 0.00 C ATOM 747 CG PHE A 67 -9.497 27.594 -8.325 1.00 0.00 C ATOM 748 CD1 PHE A 67 -10.227 27.186 -9.429 1.00 0.00 C ATOM 749 CD2 PHE A 67 -9.284 28.953 -8.132 1.00 0.00 C ATOM 750 CE1 PHE A 67 -10.734 28.110 -10.323 1.00 0.00 C ATOM 751 CE2 PHE A 67 -9.789 29.880 -9.023 1.00 0.00 C ATOM 752 CZ PHE A 67 -10.515 29.458 -10.119 1.00 0.00 C ATOM 0 H PHE A 67 -7.079 25.645 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.864 25.222 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.698 25.808 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.777 27.070 -6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -10.402 26.133 -9.593 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.717 29.289 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.301 27.778 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.616 30.934 -8.862 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.911 30.182 -10.816 1.00 0.00 H new ATOM 762 N ASP A 68 -6.658 27.108 -9.684 1.00 0.00 N ATOM 763 CA ASP A 68 -5.812 28.095 -10.338 1.00 0.00 C ATOM 764 C ASP A 68 -6.646 29.297 -10.761 1.00 0.00 C ATOM 765 O ASP A 68 -7.429 29.221 -11.707 1.00 0.00 O ATOM 766 CB ASP A 68 -5.119 27.483 -11.557 1.00 0.00 C ATOM 767 CG ASP A 68 -4.028 28.378 -12.112 1.00 0.00 C ATOM 768 OD1 ASP A 68 -3.259 28.944 -11.308 1.00 0.00 O ATOM 769 OD2 ASP A 68 -3.944 28.515 -13.350 1.00 0.00 O ATOM 0 H ASP A 68 -7.203 26.531 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.048 28.421 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.690 26.520 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.859 27.292 -12.334 1.00 0.00 H new ATOM 774 N LYS A 69 -6.478 30.405 -10.050 1.00 0.00 N ATOM 775 CA LYS A 69 -7.223 31.624 -10.349 1.00 0.00 C ATOM 776 C LYS A 69 -6.650 32.319 -11.579 1.00 0.00 C ATOM 777 O LYS A 69 -7.062 33.424 -11.930 1.00 0.00 O ATOM 778 CB LYS A 69 -7.204 32.577 -9.150 1.00 0.00 C ATOM 779 CG LYS A 69 -6.672 31.952 -7.870 1.00 0.00 C ATOM 780 CD LYS A 69 -5.163 32.103 -7.763 1.00 0.00 C ATOM 781 CE LYS A 69 -4.525 30.892 -7.100 1.00 0.00 C ATOM 782 NZ LYS A 69 -5.213 30.526 -5.832 1.00 0.00 N ATOM 0 H LYS A 69 -5.834 30.486 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.256 31.345 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.594 33.445 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.216 32.940 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.148 32.422 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.936 30.895 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.739 32.239 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.926 32.999 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.554 30.045 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.475 31.101 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.599 29.902 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.420 31.388 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.102 30.032 -6.049 1.00 0.00 H new ATOM 796 N TYR A 70 -5.696 31.660 -12.229 1.00 0.00 N ATOM 797 CA TYR A 70 -5.060 32.203 -13.418 1.00 0.00 C ATOM 798 C TYR A 70 -5.805 31.766 -14.675 1.00 0.00 C ATOM 799 O TYR A 70 -5.867 32.502 -15.661 1.00 0.00 O ATOM 800 CB TYR A 70 -3.603 31.748 -13.477 1.00 0.00 C ATOM 801 CG TYR A 70 -2.733 32.360 -12.399 1.00 0.00 C ATOM 802 CD1 TYR A 70 -3.032 32.182 -11.053 1.00 0.00 C ATOM 803 CD2 TYR A 70 -1.615 33.116 -12.728 1.00 0.00 C ATOM 804 CE1 TYR A 70 -2.244 32.740 -10.067 1.00 0.00 C ATOM 805 CE2 TYR A 70 -0.821 33.678 -11.746 1.00 0.00 C ATOM 806 CZ TYR A 70 -1.139 33.487 -10.417 1.00 0.00 C ATOM 807 OH TYR A 70 -0.350 34.045 -9.438 1.00 0.00 O ATOM 0 H TYR A 70 -5.347 30.744 -11.948 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.092 33.291 -13.367 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.566 30.662 -13.389 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.191 32.003 -14.453 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.896 31.597 -10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.362 33.267 -13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.492 32.592 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.044 34.264 -12.018 1.00 0.00 H new ATOM 0 HH TYR A 70 0.134 33.337 -8.965 1.00 0.00 H new ATOM 817 N THR A 71 -6.372 30.565 -14.629 1.00 0.00 N ATOM 818 CA THR A 71 -7.119 30.024 -15.758 1.00 0.00 C ATOM 819 C THR A 71 -8.562 29.735 -15.364 1.00 0.00 C ATOM 820 O THR A 71 -9.489 29.963 -16.143 1.00 0.00 O ATOM 821 CB THR A 71 -6.474 28.733 -16.296 1.00 0.00 C ATOM 822 OG1 THR A 71 -5.956 27.955 -15.211 1.00 0.00 O ATOM 823 CG2 THR A 71 -5.355 29.055 -17.276 1.00 0.00 C ATOM 0 H THR A 71 -6.328 29.946 -13.819 1.00 0.00 H new ATOM 0 HA THR A 71 -7.101 30.779 -16.544 1.00 0.00 H new ATOM 0 HB THR A 71 -7.240 28.161 -16.819 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.165 28.399 -14.839 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.914 28.128 -17.643 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.758 29.622 -18.115 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.590 29.646 -16.773 1.00 0.00 H new ATOM 831 N GLY A 72 -8.743 29.234 -14.148 1.00 0.00 N ATOM 832 CA GLY A 72 -10.067 28.922 -13.659 1.00 0.00 C ATOM 833 C GLY A 72 -10.343 27.432 -13.633 1.00 0.00 C ATOM 834 O GLY A 72 -11.494 27.007 -13.740 1.00 0.00 O ATOM 0 H GLY A 72 -7.989 29.038 -13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.184 29.327 -12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.808 29.414 -14.289 1.00 0.00 H new ATOM 838 N ASN A 73 -9.287 26.637 -13.495 1.00 0.00 N ATOM 839 CA ASN A 73 -9.425 25.189 -13.460 1.00 0.00 C ATOM 840 C ASN A 73 -9.004 24.631 -12.103 1.00 0.00 C ATOM 841 O ASN A 73 -8.256 25.267 -11.362 1.00 0.00 O ATOM 842 CB ASN A 73 -8.592 24.542 -14.568 1.00 0.00 C ATOM 843 CG ASN A 73 -8.745 25.238 -15.900 1.00 0.00 C ATOM 844 OD1 ASN A 73 -9.650 26.048 -16.095 1.00 0.00 O ATOM 845 ND2 ASN A 73 -7.857 24.917 -16.828 1.00 0.00 N ATOM 0 H ASN A 73 -8.328 26.972 -13.406 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.476 24.952 -13.622 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.541 24.550 -14.278 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.885 23.498 -14.674 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.906 25.347 -17.751 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.124 24.239 -16.619 1.00 0.00 H new ATOM 852 N THR A 74 -9.494 23.437 -11.787 1.00 0.00 N ATOM 853 CA THR A 74 -9.178 22.786 -10.521 1.00 0.00 C ATOM 854 C THR A 74 -8.371 21.511 -10.739 1.00 0.00 C ATOM 855 O THR A 74 -8.581 20.785 -11.710 1.00 0.00 O ATOM 856 CB THR A 74 -10.452 22.438 -9.736 1.00 0.00 C ATOM 857 OG1 THR A 74 -11.420 23.484 -9.881 1.00 0.00 O ATOM 858 CG2 THR A 74 -10.132 22.237 -8.264 1.00 0.00 C ATOM 0 H THR A 74 -10.114 22.899 -12.393 1.00 0.00 H new ATOM 0 HA THR A 74 -8.583 23.495 -9.945 1.00 0.00 H new ATOM 0 HB THR A 74 -10.861 21.511 -10.137 1.00 0.00 H new ATOM 0 HG1 THR A 74 -12.229 23.253 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.046 21.991 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.416 21.422 -8.155 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.704 23.153 -7.856 1.00 0.00 H new ATOM 866 N TYR A 75 -7.453 21.247 -9.817 1.00 0.00 N ATOM 867 CA TYR A 75 -6.610 20.061 -9.883 1.00 0.00 C ATOM 868 C TYR A 75 -6.593 19.367 -8.529 1.00 0.00 C ATOM 869 O TYR A 75 -6.995 19.953 -7.527 1.00 0.00 O ATOM 870 CB TYR A 75 -5.186 20.437 -10.305 1.00 0.00 C ATOM 871 CG TYR A 75 -5.130 21.647 -11.209 1.00 0.00 C ATOM 872 CD1 TYR A 75 -5.151 22.931 -10.681 1.00 0.00 C ATOM 873 CD2 TYR A 75 -5.066 21.507 -12.590 1.00 0.00 C ATOM 874 CE1 TYR A 75 -5.111 24.040 -11.500 1.00 0.00 C ATOM 875 CE2 TYR A 75 -5.024 22.613 -13.417 1.00 0.00 C ATOM 876 CZ TYR A 75 -5.047 23.877 -12.867 1.00 0.00 C ATOM 877 OH TYR A 75 -5.006 24.981 -13.687 1.00 0.00 O ATOM 0 H TYR A 75 -7.273 21.844 -9.009 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.019 19.379 -10.628 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.589 20.630 -9.413 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.730 19.589 -10.816 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.200 23.064 -9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.049 20.518 -13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.130 25.031 -11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.973 22.488 -14.489 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.073 25.226 -13.860 1.00 0.00 H new ATOM 887 N ARG A 76 -6.130 18.126 -8.496 1.00 0.00 N ATOM 888 CA ARG A 76 -6.076 17.377 -7.247 1.00 0.00 C ATOM 889 C ARG A 76 -4.645 17.263 -6.735 1.00 0.00 C ATOM 890 O ARG A 76 -3.688 17.441 -7.490 1.00 0.00 O ATOM 891 CB ARG A 76 -6.666 15.980 -7.438 1.00 0.00 C ATOM 892 CG ARG A 76 -7.748 15.640 -6.429 1.00 0.00 C ATOM 893 CD ARG A 76 -9.131 15.785 -7.036 1.00 0.00 C ATOM 894 NE ARG A 76 -10.187 15.454 -6.083 1.00 0.00 N ATOM 895 CZ ARG A 76 -11.421 15.943 -6.151 1.00 0.00 C ATOM 896 NH1 ARG A 76 -11.753 16.782 -7.123 1.00 0.00 N ATOM 897 NH2 ARG A 76 -12.325 15.594 -5.246 1.00 0.00 N ATOM 0 H ARG A 76 -5.789 17.619 -9.312 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.666 17.920 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.080 15.903 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.866 15.243 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.609 14.619 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.658 16.294 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.267 16.808 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.214 15.136 -7.908 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.965 14.811 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.061 17.054 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.701 17.156 -7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.074 14.949 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.272 15.970 -5.299 1.00 0.00 H new ATOM 911 N VAL A 77 -4.504 16.962 -5.448 1.00 0.00 N ATOM 912 CA VAL A 77 -3.190 16.820 -4.834 1.00 0.00 C ATOM 913 C VAL A 77 -2.431 15.640 -5.433 1.00 0.00 C ATOM 914 O VAL A 77 -2.793 14.484 -5.220 1.00 0.00 O ATOM 915 CB VAL A 77 -3.300 16.622 -3.309 1.00 0.00 C ATOM 916 CG1 VAL A 77 -1.933 16.741 -2.654 1.00 0.00 C ATOM 917 CG2 VAL A 77 -4.278 17.621 -2.708 1.00 0.00 C ATOM 0 H VAL A 77 -5.285 16.812 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.645 17.742 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.681 15.619 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.032 16.598 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.267 15.980 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.519 17.730 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.342 17.465 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.931 18.635 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.263 17.480 -3.154 1.00 0.00 H new ATOM 927 N GLY A 78 -1.374 15.942 -6.183 1.00 0.00 N ATOM 928 CA GLY A 78 -0.580 14.895 -6.801 1.00 0.00 C ATOM 929 C GLY A 78 -0.613 14.956 -8.316 1.00 0.00 C ATOM 930 O GLY A 78 -0.193 14.016 -8.990 1.00 0.00 O ATOM 0 H GLY A 78 -1.054 16.892 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.452 14.977 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.948 13.923 -6.472 1.00 0.00 H new ATOM 934 N ASP A 79 -1.110 16.067 -8.851 1.00 0.00 N ATOM 935 CA ASP A 79 -1.194 16.249 -10.297 1.00 0.00 C ATOM 936 C ASP A 79 -0.337 17.427 -10.746 1.00 0.00 C ATOM 937 O ASP A 79 0.063 18.258 -9.932 1.00 0.00 O ATOM 938 CB ASP A 79 -2.648 16.470 -10.720 1.00 0.00 C ATOM 939 CG ASP A 79 -3.299 15.204 -11.240 1.00 0.00 C ATOM 940 OD1 ASP A 79 -3.863 14.446 -10.423 1.00 0.00 O ATOM 941 OD2 ASP A 79 -3.243 14.967 -12.466 1.00 0.00 O ATOM 0 H ASP A 79 -1.461 16.855 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.817 15.345 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.218 16.845 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.686 17.238 -11.493 1.00 0.00 H new ATOM 946 N THR A 80 -0.058 17.493 -12.044 1.00 0.00 N ATOM 947 CA THR A 80 0.752 18.572 -12.597 1.00 0.00 C ATOM 948 C THR A 80 0.153 19.106 -13.892 1.00 0.00 C ATOM 949 O THR A 80 -0.579 18.400 -14.586 1.00 0.00 O ATOM 950 CB THR A 80 2.195 18.111 -12.865 1.00 0.00 C ATOM 951 OG1 THR A 80 2.190 16.871 -13.584 1.00 0.00 O ATOM 952 CG2 THR A 80 2.959 17.943 -11.562 1.00 0.00 C ATOM 0 H THR A 80 -0.381 16.812 -12.732 1.00 0.00 H new ATOM 0 HA THR A 80 0.764 19.368 -11.852 1.00 0.00 H new ATOM 0 HB THR A 80 2.691 18.875 -13.464 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.113 16.586 -13.752 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.977 17.617 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.987 18.895 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.462 17.197 -10.942 1.00 0.00 H new ATOM 960 N TYR A 81 0.465 20.358 -14.209 1.00 0.00 N ATOM 961 CA TYR A 81 -0.046 20.990 -15.421 1.00 0.00 C ATOM 962 C TYR A 81 0.852 22.145 -15.860 1.00 0.00 C ATOM 963 O TYR A 81 1.625 22.679 -15.065 1.00 0.00 O ATOM 964 CB TYR A 81 -1.471 21.499 -15.189 1.00 0.00 C ATOM 965 CG TYR A 81 -1.557 22.615 -14.172 1.00 0.00 C ATOM 966 CD1 TYR A 81 -1.546 22.342 -12.809 1.00 0.00 C ATOM 967 CD2 TYR A 81 -1.647 23.942 -14.574 1.00 0.00 C ATOM 968 CE1 TYR A 81 -1.624 23.359 -11.877 1.00 0.00 C ATOM 969 CE2 TYR A 81 -1.725 24.964 -13.647 1.00 0.00 C ATOM 970 CZ TYR A 81 -1.712 24.668 -12.301 1.00 0.00 C ATOM 971 OH TYR A 81 -1.790 25.683 -11.376 1.00 0.00 O ATOM 0 H TYR A 81 1.069 20.955 -13.644 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.054 20.242 -16.214 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.881 21.849 -16.136 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.095 20.669 -14.859 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.475 21.318 -12.473 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.656 24.179 -15.628 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.616 23.130 -10.822 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.796 25.990 -13.976 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.846 26.545 -11.840 1.00 0.00 H new ATOM 981 N GLU A 82 0.739 22.527 -17.128 1.00 0.00 N ATOM 982 CA GLU A 82 1.531 23.615 -17.674 1.00 0.00 C ATOM 983 C GLU A 82 0.642 24.797 -18.048 1.00 0.00 C ATOM 984 O GLU A 82 -0.246 24.673 -18.892 1.00 0.00 O ATOM 985 CB GLU A 82 2.292 23.127 -18.902 1.00 0.00 C ATOM 986 CG GLU A 82 3.492 22.259 -18.564 1.00 0.00 C ATOM 987 CD GLU A 82 4.777 22.770 -19.185 1.00 0.00 C ATOM 988 OE1 GLU A 82 4.746 23.172 -20.368 1.00 0.00 O ATOM 989 OE2 GLU A 82 5.814 22.769 -18.490 1.00 0.00 O ATOM 0 H GLU A 82 0.102 22.094 -17.797 1.00 0.00 H new ATOM 0 HA GLU A 82 2.239 23.946 -16.915 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.613 22.562 -19.540 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.628 23.989 -19.478 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.609 22.214 -17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.307 21.241 -18.907 1.00 0.00 H new ATOM 996 N ARG A 83 0.883 25.941 -17.415 1.00 0.00 N ATOM 997 CA ARG A 83 0.100 27.142 -17.686 1.00 0.00 C ATOM 998 C ARG A 83 0.982 28.388 -17.688 1.00 0.00 C ATOM 999 O ARG A 83 1.697 28.655 -16.721 1.00 0.00 O ATOM 1000 CB ARG A 83 -1.013 27.294 -16.647 1.00 0.00 C ATOM 1001 CG ARG A 83 -2.411 27.201 -17.237 1.00 0.00 C ATOM 1002 CD ARG A 83 -2.902 25.763 -17.282 1.00 0.00 C ATOM 1003 NE ARG A 83 -3.668 25.484 -18.494 1.00 0.00 N ATOM 1004 CZ ARG A 83 -4.659 24.600 -18.552 1.00 0.00 C ATOM 1005 NH1 ARG A 83 -5.004 23.912 -17.472 1.00 0.00 N ATOM 1006 NH2 ARG A 83 -5.307 24.402 -19.692 1.00 0.00 N ATOM 0 H ARG A 83 1.613 26.062 -16.712 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.344 27.036 -18.676 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.896 26.522 -15.886 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.902 28.255 -16.146 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.099 27.803 -16.643 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.411 27.618 -18.244 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.049 25.087 -17.229 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.522 25.564 -16.408 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.429 25.996 -19.343 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.508 24.060 -16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.765 23.235 -17.520 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.045 24.928 -20.526 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.067 23.723 -19.735 1.00 0.00 H new ATOM 1020 N PRO A 84 0.938 29.177 -18.777 1.00 0.00 N ATOM 1021 CA PRO A 84 1.730 30.406 -18.898 1.00 0.00 C ATOM 1022 C PRO A 84 1.347 31.431 -17.833 1.00 0.00 C ATOM 1023 O PRO A 84 0.405 31.215 -17.069 1.00 0.00 O ATOM 1024 CB PRO A 84 1.376 30.932 -20.296 1.00 0.00 C ATOM 1025 CG PRO A 84 0.805 29.760 -21.017 1.00 0.00 C ATOM 1026 CD PRO A 84 0.110 28.941 -19.972 1.00 0.00 C ATOM 0 HA PRO A 84 2.796 30.222 -18.762 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.657 31.749 -20.240 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.258 31.318 -20.807 1.00 0.00 H new ATOM 0 HG2 PRO A 84 0.108 30.079 -21.792 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.588 29.184 -21.510 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.920 29.264 -19.822 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.077 27.885 -20.240 1.00 0.00 H new ATOM 1034 N LYS A 85 2.075 32.546 -17.785 1.00 0.00 N ATOM 1035 CA LYS A 85 1.794 33.596 -16.804 1.00 0.00 C ATOM 1036 C LYS A 85 2.720 34.802 -16.977 1.00 0.00 C ATOM 1037 O LYS A 85 3.941 34.659 -17.012 1.00 0.00 O ATOM 1038 CB LYS A 85 1.934 33.043 -15.384 1.00 0.00 C ATOM 1039 CG LYS A 85 1.599 34.055 -14.300 1.00 0.00 C ATOM 1040 CD LYS A 85 2.670 34.091 -13.221 1.00 0.00 C ATOM 1041 CE LYS A 85 3.017 35.518 -12.828 1.00 0.00 C ATOM 1042 NZ LYS A 85 4.480 35.777 -12.908 1.00 0.00 N ATOM 0 H LYS A 85 2.858 32.746 -18.408 1.00 0.00 H new ATOM 0 HA LYS A 85 0.770 33.931 -16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.281 32.177 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.956 32.693 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.495 35.045 -14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.638 33.805 -13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.323 33.545 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.566 33.583 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.489 36.213 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.670 35.709 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.674 36.761 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.982 35.132 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.808 35.620 -13.882 1.00 0.00 H new ATOM 1056 N ASP A 86 2.111 35.988 -17.065 1.00 0.00 N ATOM 1057 CA ASP A 86 2.835 37.251 -17.216 1.00 0.00 C ATOM 1058 C ASP A 86 3.405 37.404 -18.618 1.00 0.00 C ATOM 1059 O ASP A 86 3.036 38.316 -19.359 1.00 0.00 O ATOM 1060 CB ASP A 86 3.958 37.357 -16.179 1.00 0.00 C ATOM 1061 CG ASP A 86 3.569 38.214 -14.990 1.00 0.00 C ATOM 1062 OD1 ASP A 86 2.407 38.112 -14.540 1.00 0.00 O ATOM 1063 OD2 ASP A 86 4.424 38.987 -14.509 1.00 0.00 O ATOM 0 H ASP A 86 1.097 36.098 -17.033 1.00 0.00 H new ATOM 0 HA ASP A 86 2.121 38.058 -17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.224 36.358 -15.832 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.846 37.777 -16.651 1.00 0.00 H new ATOM 1068 N SER A 87 4.310 36.509 -18.966 1.00 0.00 N ATOM 1069 CA SER A 87 4.960 36.523 -20.270 1.00 0.00 C ATOM 1070 C SER A 87 5.811 35.273 -20.448 1.00 0.00 C ATOM 1071 O SER A 87 6.416 35.057 -21.499 1.00 0.00 O ATOM 1072 CB SER A 87 5.832 37.769 -20.407 1.00 0.00 C ATOM 1073 OG SER A 87 5.216 38.737 -21.240 1.00 0.00 O ATOM 0 H SER A 87 4.617 35.751 -18.356 1.00 0.00 H new ATOM 0 HA SER A 87 4.192 36.539 -21.043 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.016 38.197 -19.422 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.802 37.494 -20.821 1.00 0.00 H new ATOM 0 HG SER A 87 4.317 38.933 -20.904 1.00 0.00 H new ATOM 1079 N MET A 88 5.839 34.452 -19.407 1.00 0.00 N ATOM 1080 CA MET A 88 6.597 33.212 -19.417 1.00 0.00 C ATOM 1081 C MET A 88 5.678 32.045 -19.086 1.00 0.00 C ATOM 1082 O MET A 88 4.619 32.236 -18.494 1.00 0.00 O ATOM 1083 CB MET A 88 7.740 33.281 -18.402 1.00 0.00 C ATOM 1084 CG MET A 88 7.536 34.330 -17.320 1.00 0.00 C ATOM 1085 SD MET A 88 9.060 35.195 -16.895 1.00 0.00 S ATOM 1086 CE MET A 88 9.339 34.594 -15.231 1.00 0.00 C ATOM 0 H MET A 88 5.338 34.627 -18.536 1.00 0.00 H new ATOM 0 HA MET A 88 7.021 33.065 -20.411 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.855 32.305 -17.931 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.670 33.492 -18.930 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.794 35.054 -17.656 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.133 33.852 -16.427 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.137 35.393 -14.517 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.675 33.753 -15.032 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.375 34.270 -15.130 1.00 0.00 H new ATOM 1096 N ILE A 89 6.083 30.839 -19.457 1.00 0.00 N ATOM 1097 CA ILE A 89 5.278 29.664 -19.178 1.00 0.00 C ATOM 1098 C ILE A 89 5.749 29.007 -17.886 1.00 0.00 C ATOM 1099 O ILE A 89 6.939 28.743 -17.708 1.00 0.00 O ATOM 1100 CB ILE A 89 5.312 28.656 -20.354 1.00 0.00 C ATOM 1101 CG1 ILE A 89 5.532 27.234 -19.849 1.00 0.00 C ATOM 1102 CG2 ILE A 89 6.394 29.034 -21.356 1.00 0.00 C ATOM 1103 CD1 ILE A 89 4.299 26.614 -19.226 1.00 0.00 C ATOM 0 H ILE A 89 6.957 30.651 -19.948 1.00 0.00 H new ATOM 0 HA ILE A 89 4.243 29.982 -19.057 1.00 0.00 H new ATOM 0 HB ILE A 89 4.345 28.695 -20.856 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.862 26.610 -20.679 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.337 27.239 -19.114 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.401 28.313 -22.174 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.192 30.029 -21.751 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.365 29.030 -20.861 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.530 25.603 -18.890 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.980 27.215 -18.375 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.498 26.576 -19.964 1.00 0.00 H new ATOM 1115 N TRP A 90 4.812 28.768 -16.977 1.00 0.00 N ATOM 1116 CA TRP A 90 5.134 28.166 -15.690 1.00 0.00 C ATOM 1117 C TRP A 90 4.620 26.733 -15.590 1.00 0.00 C ATOM 1118 O TRP A 90 3.441 26.468 -15.823 1.00 0.00 O ATOM 1119 CB TRP A 90 4.528 29.004 -14.560 1.00 0.00 C ATOM 1120 CG TRP A 90 5.158 30.353 -14.412 1.00 0.00 C ATOM 1121 CD1 TRP A 90 5.022 31.422 -15.251 1.00 0.00 C ATOM 1122 CD2 TRP A 90 6.028 30.776 -13.360 1.00 0.00 C ATOM 1123 NE1 TRP A 90 5.764 32.482 -14.787 1.00 0.00 N ATOM 1124 CE2 TRP A 90 6.390 32.109 -13.626 1.00 0.00 C ATOM 1125 CE3 TRP A 90 6.538 30.154 -12.220 1.00 0.00 C ATOM 1126 CZ2 TRP A 90 7.243 32.825 -12.789 1.00 0.00 C ATOM 1127 CZ3 TRP A 90 7.380 30.864 -11.394 1.00 0.00 C ATOM 1128 CH2 TRP A 90 7.727 32.185 -11.680 1.00 0.00 C ATOM 0 H TRP A 90 3.823 28.982 -17.107 1.00 0.00 H new ATOM 0 HA TRP A 90 6.220 28.142 -15.599 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.461 29.129 -14.743 1.00 0.00 H new ATOM 0 HB3 TRP A 90 4.629 28.460 -13.621 1.00 0.00 H new ATOM 0 HD1 TRP A 90 4.420 31.433 -16.147 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.837 33.396 -15.233 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.276 29.132 -11.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 7.513 33.848 -13.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 7.779 30.390 -10.509 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.391 32.714 -11.012 1.00 0.00 H new ATOM 1139 N ASP A 91 5.510 25.820 -15.214 1.00 0.00 N ATOM 1140 CA ASP A 91 5.146 24.419 -15.049 1.00 0.00 C ATOM 1141 C ASP A 91 4.632 24.189 -13.630 1.00 0.00 C ATOM 1142 O ASP A 91 5.255 23.486 -12.833 1.00 0.00 O ATOM 1143 CB ASP A 91 6.351 23.515 -15.331 1.00 0.00 C ATOM 1144 CG ASP A 91 7.506 23.767 -14.381 1.00 0.00 C ATOM 1145 OD1 ASP A 91 7.991 24.916 -14.328 1.00 0.00 O ATOM 1146 OD2 ASP A 91 7.925 22.814 -13.690 1.00 0.00 O ATOM 0 H ASP A 91 6.489 26.027 -15.018 1.00 0.00 H new ATOM 0 HA ASP A 91 4.359 24.170 -15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.044 22.472 -15.254 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.687 23.674 -16.356 1.00 0.00 H new ATOM 1151 N CYS A 92 3.499 24.807 -13.318 1.00 0.00 N ATOM 1152 CA CYS A 92 2.902 24.701 -11.996 1.00 0.00 C ATOM 1153 C CYS A 92 2.536 23.262 -11.649 1.00 0.00 C ATOM 1154 O CYS A 92 1.936 22.544 -12.450 1.00 0.00 O ATOM 1155 CB CYS A 92 1.661 25.589 -11.914 1.00 0.00 C ATOM 1156 SG CYS A 92 2.008 27.372 -12.060 1.00 0.00 S ATOM 0 H CYS A 92 2.974 25.390 -13.969 1.00 0.00 H new ATOM 0 HA CYS A 92 3.643 25.036 -11.271 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.968 25.299 -12.704 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.158 25.405 -10.965 1.00 0.00 H new ATOM 1161 N THR A 93 2.888 22.863 -10.433 1.00 0.00 N ATOM 1162 CA THR A 93 2.592 21.528 -9.934 1.00 0.00 C ATOM 1163 C THR A 93 1.668 21.619 -8.725 1.00 0.00 C ATOM 1164 O THR A 93 1.824 22.502 -7.882 1.00 0.00 O ATOM 1165 CB THR A 93 3.877 20.781 -9.528 1.00 0.00 C ATOM 1166 OG1 THR A 93 4.540 21.485 -8.471 1.00 0.00 O ATOM 1167 CG2 THR A 93 4.819 20.639 -10.714 1.00 0.00 C ATOM 0 H THR A 93 3.385 23.455 -9.767 1.00 0.00 H new ATOM 0 HA THR A 93 2.107 20.974 -10.738 1.00 0.00 H new ATOM 0 HB THR A 93 3.597 19.785 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.355 21.003 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.719 20.109 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.324 20.079 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.090 21.628 -11.083 1.00 0.00 H new ATOM 1175 N CYS A 94 0.702 20.712 -8.643 1.00 0.00 N ATOM 1176 CA CYS A 94 -0.242 20.715 -7.531 1.00 0.00 C ATOM 1177 C CYS A 94 0.206 19.758 -6.434 1.00 0.00 C ATOM 1178 O CYS A 94 0.352 18.556 -6.661 1.00 0.00 O ATOM 1179 CB CYS A 94 -1.639 20.329 -8.023 1.00 0.00 C ATOM 1180 SG CYS A 94 -2.836 21.703 -8.012 1.00 0.00 S ATOM 0 H CYS A 94 0.552 19.970 -9.327 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.275 21.722 -7.116 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.560 19.938 -9.037 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.022 19.522 -7.399 1.00 0.00 H new ATOM 1185 N ILE A 95 0.422 20.305 -5.242 1.00 0.00 N ATOM 1186 CA ILE A 95 0.855 19.513 -4.099 1.00 0.00 C ATOM 1187 C ILE A 95 -0.159 19.612 -2.961 1.00 0.00 C ATOM 1188 O ILE A 95 -1.312 19.982 -3.180 1.00 0.00 O ATOM 1189 CB ILE A 95 2.239 19.966 -3.588 1.00 0.00 C ATOM 1190 CG1 ILE A 95 2.979 20.771 -4.664 1.00 0.00 C ATOM 1191 CG2 ILE A 95 3.066 18.765 -3.153 1.00 0.00 C ATOM 1192 CD1 ILE A 95 3.431 19.943 -5.850 1.00 0.00 C ATOM 0 H ILE A 95 0.303 21.298 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 95 0.929 18.478 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 95 2.089 20.612 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.327 21.570 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.850 21.247 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.039 19.103 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.548 18.238 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.204 18.093 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.946 20.584 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.109 19.161 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.563 19.488 -6.328 1.00 0.00 H new ATOM 1204 N GLY A 96 0.276 19.283 -1.748 1.00 0.00 N ATOM 1205 CA GLY A 96 -0.613 19.346 -0.604 1.00 0.00 C ATOM 1206 C GLY A 96 0.109 19.123 0.709 1.00 0.00 C ATOM 1207 O GLY A 96 -0.052 19.898 1.652 1.00 0.00 O ATOM 0 H GLY A 96 1.225 18.975 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.104 20.319 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.396 18.596 -0.716 1.00 0.00 H new ATOM 1211 N ALA A 97 0.904 18.061 0.766 1.00 0.00 N ATOM 1212 CA ALA A 97 1.655 17.731 1.972 1.00 0.00 C ATOM 1213 C ALA A 97 0.731 17.633 3.182 1.00 0.00 C ATOM 1214 O ALA A 97 1.110 17.989 4.297 1.00 0.00 O ATOM 1215 CB ALA A 97 2.745 18.765 2.217 1.00 0.00 C ATOM 0 H ALA A 97 1.045 17.413 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 97 2.123 16.758 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.297 18.505 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.428 18.782 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.292 19.749 2.339 1.00 0.00 H new ATOM 1221 N GLY A 98 -0.486 17.149 2.949 1.00 0.00 N ATOM 1222 CA GLY A 98 -1.449 17.013 4.023 1.00 0.00 C ATOM 1223 C GLY A 98 -2.024 18.345 4.460 1.00 0.00 C ATOM 1224 O GLY A 98 -2.264 18.564 5.647 1.00 0.00 O ATOM 0 H GLY A 98 -0.821 16.849 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.259 16.360 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.972 16.530 4.876 1.00 0.00 H new ATOM 1228 N ARG A 99 -2.244 19.236 3.499 1.00 0.00 N ATOM 1229 CA ARG A 99 -2.794 20.555 3.788 1.00 0.00 C ATOM 1230 C ARG A 99 -3.230 21.262 2.508 1.00 0.00 C ATOM 1231 O ARG A 99 -4.422 21.462 2.274 1.00 0.00 O ATOM 1232 CB ARG A 99 -1.763 21.409 4.529 1.00 0.00 C ATOM 1233 CG ARG A 99 -2.335 22.696 5.099 1.00 0.00 C ATOM 1234 CD ARG A 99 -1.969 22.868 6.565 1.00 0.00 C ATOM 1235 NE ARG A 99 -2.524 21.804 7.397 1.00 0.00 N ATOM 1236 CZ ARG A 99 -2.166 21.591 8.659 1.00 0.00 C ATOM 1237 NH1 ARG A 99 -1.256 22.366 9.234 1.00 0.00 N ATOM 1238 NH2 ARG A 99 -2.719 20.603 9.349 1.00 0.00 N ATOM 0 H ARG A 99 -2.049 19.068 2.512 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.671 20.421 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.333 20.822 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.949 21.654 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.961 23.546 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.420 22.692 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.884 22.880 6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.334 23.832 6.919 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.227 21.189 6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.829 23.128 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.983 22.200 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.420 20.005 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.443 20.441 10.318 1.00 0.00 H new ATOM 1252 N GLY A 100 -2.256 21.638 1.685 1.00 0.00 N ATOM 1253 CA GLY A 100 -2.557 22.320 0.440 1.00 0.00 C ATOM 1254 C GLY A 100 -1.491 23.331 0.066 1.00 0.00 C ATOM 1255 O GLY A 100 -1.527 24.475 0.516 1.00 0.00 O ATOM 0 H GLY A 100 -1.263 21.482 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.655 21.586 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.519 22.825 0.528 1.00 0.00 H new ATOM 1259 N ARG A 101 -0.539 22.906 -0.757 1.00 0.00 N ATOM 1260 CA ARG A 101 0.546 23.781 -1.187 1.00 0.00 C ATOM 1261 C ARG A 101 0.692 23.768 -2.705 1.00 0.00 C ATOM 1262 O ARG A 101 1.394 22.926 -3.261 1.00 0.00 O ATOM 1263 CB ARG A 101 1.862 23.350 -0.535 1.00 0.00 C ATOM 1264 CG ARG A 101 3.004 24.326 -0.766 1.00 0.00 C ATOM 1265 CD ARG A 101 4.033 23.762 -1.733 1.00 0.00 C ATOM 1266 NE ARG A 101 5.365 23.699 -1.139 1.00 0.00 N ATOM 1267 CZ ARG A 101 6.011 22.564 -0.891 1.00 0.00 C ATOM 1268 NH1 ARG A 101 5.447 21.399 -1.184 1.00 0.00 N ATOM 1269 NH2 ARG A 101 7.220 22.592 -0.349 1.00 0.00 N ATOM 0 H ARG A 101 -0.496 21.962 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 101 0.304 24.797 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.706 23.234 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.147 22.372 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.609 25.263 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.485 24.557 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.728 22.763 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.065 24.381 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 101 5.827 24.577 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.516 21.373 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 101 5.944 20.529 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.656 23.485 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.714 21.720 -0.159 1.00 0.00 H new ATOM 1283 N ILE A 102 0.037 24.717 -3.369 1.00 0.00 N ATOM 1284 CA ILE A 102 0.114 24.816 -4.821 1.00 0.00 C ATOM 1285 C ILE A 102 1.444 25.441 -5.230 1.00 0.00 C ATOM 1286 O ILE A 102 1.675 26.632 -5.022 1.00 0.00 O ATOM 1287 CB ILE A 102 -1.051 25.652 -5.394 1.00 0.00 C ATOM 1288 CG1 ILE A 102 -0.828 25.938 -6.882 1.00 0.00 C ATOM 1289 CG2 ILE A 102 -1.212 26.950 -4.617 1.00 0.00 C ATOM 1290 CD1 ILE A 102 -1.292 24.821 -7.789 1.00 0.00 C ATOM 0 H ILE A 102 -0.550 25.424 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 102 0.040 23.808 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.970 25.075 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.354 26.855 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.233 26.117 -7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.038 27.525 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.421 26.725 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.293 27.532 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.103 25.093 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.748 23.907 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.360 24.656 -7.646 1.00 0.00 H new ATOM 1302 N SER A 103 2.322 24.624 -5.797 1.00 0.00 N ATOM 1303 CA SER A 103 3.636 25.089 -6.219 1.00 0.00 C ATOM 1304 C SER A 103 3.641 25.482 -7.690 1.00 0.00 C ATOM 1305 O SER A 103 3.266 24.693 -8.552 1.00 0.00 O ATOM 1306 CB SER A 103 4.679 23.997 -5.974 1.00 0.00 C ATOM 1307 OG SER A 103 5.759 24.484 -5.198 1.00 0.00 O ATOM 0 H SER A 103 2.147 23.635 -5.975 1.00 0.00 H new ATOM 0 HA SER A 103 3.884 25.972 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.213 23.154 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.052 23.626 -6.929 1.00 0.00 H new ATOM 0 HG SER A 103 6.410 23.765 -5.055 1.00 0.00 H new ATOM 1313 N CYS A 104 4.083 26.702 -7.971 1.00 0.00 N ATOM 1314 CA CYS A 104 4.155 27.191 -9.343 1.00 0.00 C ATOM 1315 C CYS A 104 5.600 27.496 -9.711 1.00 0.00 C ATOM 1316 O CYS A 104 6.197 28.435 -9.191 1.00 0.00 O ATOM 1317 CB CYS A 104 3.293 28.437 -9.525 1.00 0.00 C ATOM 1318 SG CYS A 104 1.635 28.098 -10.201 1.00 0.00 S ATOM 0 H CYS A 104 4.397 27.371 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 104 3.773 26.413 -10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.186 28.937 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.810 29.130 -10.188 1.00 0.00 H new ATOM 1323 N THR A 105 6.158 26.691 -10.602 1.00 0.00 N ATOM 1324 CA THR A 105 7.541 26.864 -11.029 1.00 0.00 C ATOM 1325 C THR A 105 7.628 27.319 -12.476 1.00 0.00 C ATOM 1326 O THR A 105 6.739 27.047 -13.281 1.00 0.00 O ATOM 1327 CB THR A 105 8.338 25.555 -10.864 1.00 0.00 C ATOM 1328 OG1 THR A 105 8.082 24.985 -9.576 1.00 0.00 O ATOM 1329 CG2 THR A 105 9.831 25.795 -11.031 1.00 0.00 C ATOM 0 H THR A 105 5.675 25.910 -11.045 1.00 0.00 H new ATOM 0 HA THR A 105 7.973 27.635 -10.392 1.00 0.00 H new ATOM 0 HB THR A 105 8.013 24.863 -11.641 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.591 24.153 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.367 24.854 -10.909 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.026 26.197 -12.025 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.172 26.506 -10.279 1.00 0.00 H new ATOM 1337 N ILE A 106 8.713 28.014 -12.795 1.00 0.00 N ATOM 1338 CA ILE A 106 8.941 28.516 -14.139 1.00 0.00 C ATOM 1339 C ILE A 106 9.570 27.436 -15.007 1.00 0.00 C ATOM 1340 O ILE A 106 10.195 26.506 -14.497 1.00 0.00 O ATOM 1341 CB ILE A 106 9.846 29.773 -14.104 1.00 0.00 C ATOM 1342 CG1 ILE A 106 9.147 30.963 -14.743 1.00 0.00 C ATOM 1343 CG2 ILE A 106 11.182 29.538 -14.785 1.00 0.00 C ATOM 1344 CD1 ILE A 106 8.725 30.733 -16.177 1.00 0.00 C ATOM 0 H ILE A 106 9.454 28.243 -12.132 1.00 0.00 H new ATOM 0 HA ILE A 106 7.980 28.795 -14.571 1.00 0.00 H new ATOM 0 HB ILE A 106 10.039 29.990 -13.053 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.266 31.214 -14.152 1.00 0.00 H new ATOM 0 HG13 ILE A 106 9.813 31.825 -14.705 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.781 30.447 -14.735 1.00 0.00 H new ATOM 0 HG22 ILE A 106 11.709 28.728 -14.282 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.016 29.270 -15.828 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.234 31.628 -16.560 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.603 30.513 -16.784 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.033 29.892 -16.222 1.00 0.00 H new ATOM 1356 N ALA A 107 9.404 27.558 -16.316 1.00 0.00 N ATOM 1357 CA ALA A 107 9.967 26.587 -17.242 1.00 0.00 C ATOM 1358 C ALA A 107 9.915 27.099 -18.670 1.00 0.00 C ATOM 1359 O ALA A 107 9.171 26.589 -19.508 1.00 0.00 O ATOM 1360 CB ALA A 107 9.247 25.262 -17.121 1.00 0.00 C ATOM 0 H ALA A 107 8.886 28.317 -16.759 1.00 0.00 H new ATOM 0 HA ALA A 107 11.014 26.437 -16.980 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.680 24.547 -17.820 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.350 24.883 -16.104 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.190 25.400 -17.351 1.00 0.00 H new ATOM 1366 N ASN A 108 10.717 28.115 -18.932 1.00 0.00 N ATOM 1367 CA ASN A 108 10.789 28.725 -20.253 1.00 0.00 C ATOM 1368 C ASN A 108 11.506 27.808 -21.238 1.00 0.00 C ATOM 1369 O ASN A 108 12.711 27.585 -21.129 1.00 0.00 O ATOM 1370 CB ASN A 108 11.509 30.073 -20.177 1.00 0.00 C ATOM 1371 CG ASN A 108 11.109 31.008 -21.302 1.00 0.00 C ATOM 1372 OD1 ASN A 108 10.646 30.569 -22.354 1.00 0.00 O ATOM 1373 ND2 ASN A 108 11.290 32.306 -21.085 1.00 0.00 N ATOM 0 H ASN A 108 11.335 28.541 -18.241 1.00 0.00 H new ATOM 0 HA ASN A 108 9.771 28.884 -20.608 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.289 30.546 -19.220 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.586 29.909 -20.211 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.042 32.983 -21.806 1.00 0.00 H new ATOM 0 HD22 ASN A 108 11.677 32.626 -20.197 1.00 0.00 H new ATOM 1380 N ARG A 109 10.756 27.279 -22.200 1.00 0.00 N ATOM 1381 CA ARG A 109 11.320 26.386 -23.206 1.00 0.00 C ATOM 1382 C ARG A 109 11.442 27.092 -24.552 1.00 0.00 C ATOM 1383 O ARG A 109 10.396 27.467 -25.120 1.00 0.00 O ATOM 1384 CB ARG A 109 10.454 25.134 -23.349 1.00 0.00 C ATOM 1385 CG ARG A 109 10.968 23.944 -22.555 1.00 0.00 C ATOM 1386 CD ARG A 109 11.904 23.081 -23.387 1.00 0.00 C ATOM 1387 NE ARG A 109 13.156 22.803 -22.688 1.00 0.00 N ATOM 1388 CZ ARG A 109 14.235 22.299 -23.280 1.00 0.00 C ATOM 1389 NH1 ARG A 109 14.215 22.020 -24.577 1.00 0.00 N ATOM 1390 NH2 ARG A 109 15.336 22.073 -22.576 1.00 0.00 N ATOM 1391 OXT ARG A 109 12.584 27.264 -25.028 1.00 0.00 O ATOM 0 H ARG A 109 9.756 27.453 -22.304 1.00 0.00 H new ATOM 0 HA ARG A 109 12.318 26.093 -22.879 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.439 25.365 -23.025 1.00 0.00 H new ATOM 0 HB3 ARG A 109 10.397 24.860 -24.402 1.00 0.00 H new ATOM 0 HG2 ARG A 109 11.491 24.297 -21.666 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.126 23.343 -22.212 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.409 22.141 -23.632 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.119 23.584 -24.330 1.00 0.00 H new ATOM 0 HE ARG A 109 13.206 23.007 -21.690 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.371 22.192 -25.123 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.044 21.634 -25.028 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.356 22.286 -21.579 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.162 21.686 -23.032 1.00 0.00 H new TER 1405 ARG A 109 ATOM 1406 N SER B 13 13.942 27.473 -15.098 1.00 0.00 N ATOM 1407 CA SER B 13 13.037 26.931 -14.052 1.00 0.00 C ATOM 1408 C SER B 13 13.182 27.707 -12.742 1.00 0.00 C ATOM 1409 O SER B 13 14.260 27.742 -12.149 1.00 0.00 O ATOM 1410 CB SER B 13 13.375 25.456 -13.839 1.00 0.00 C ATOM 1411 OG SER B 13 12.952 25.013 -12.560 1.00 0.00 O ATOM 0 HA SER B 13 12.002 27.035 -14.378 1.00 0.00 H new ATOM 0 HB2 SER B 13 12.896 24.855 -14.612 1.00 0.00 H new ATOM 0 HB3 SER B 13 14.450 25.308 -13.941 1.00 0.00 H new ATOM 0 HG SER B 13 13.179 24.066 -12.450 1.00 0.00 H new ATOM 1416 N THR B 14 12.091 28.332 -12.298 1.00 0.00 N ATOM 1417 CA THR B 14 12.103 29.109 -11.063 1.00 0.00 C ATOM 1418 C THR B 14 10.889 28.786 -10.194 1.00 0.00 C ATOM 1419 O THR B 14 9.767 29.193 -10.499 1.00 0.00 O ATOM 1420 CB THR B 14 12.139 30.628 -11.342 1.00 0.00 C ATOM 1421 OG1 THR B 14 10.847 31.095 -11.744 1.00 0.00 O ATOM 1422 CG2 THR B 14 13.161 30.959 -12.422 1.00 0.00 C ATOM 0 H THR B 14 11.190 28.314 -12.776 1.00 0.00 H new ATOM 0 HA THR B 14 13.012 28.830 -10.529 1.00 0.00 H new ATOM 0 HB THR B 14 12.430 31.130 -10.419 1.00 0.00 H new ATOM 0 HG1 THR B 14 10.170 30.762 -11.119 1.00 0.00 H new ATOM 0 HG21 THR B 14 13.167 32.034 -12.600 1.00 0.00 H new ATOM 0 HG22 THR B 14 14.151 30.640 -12.096 1.00 0.00 H new ATOM 0 HG23 THR B 14 12.897 30.440 -13.344 1.00 0.00 H new ATOM 1430 N THR B 15 11.116 28.043 -9.113 1.00 0.00 N ATOM 1431 CA THR B 15 10.036 27.659 -8.207 1.00 0.00 C ATOM 1432 C THR B 15 9.385 28.880 -7.565 1.00 0.00 C ATOM 1433 O THR B 15 10.067 29.833 -7.186 1.00 0.00 O ATOM 1434 CB THR B 15 10.535 26.712 -7.102 1.00 0.00 C ATOM 1435 OG1 THR B 15 11.967 26.662 -7.107 1.00 0.00 O ATOM 1436 CG2 THR B 15 9.972 25.313 -7.303 1.00 0.00 C ATOM 0 H THR B 15 12.036 27.695 -8.843 1.00 0.00 H new ATOM 0 HA THR B 15 9.294 27.137 -8.812 1.00 0.00 H new ATOM 0 HB THR B 15 10.192 27.094 -6.140 1.00 0.00 H new ATOM 0 HG1 THR B 15 12.326 27.550 -6.902 1.00 0.00 H new ATOM 0 HG21 THR B 15 10.336 24.657 -6.512 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.883 25.351 -7.271 1.00 0.00 H new ATOM 0 HG23 THR B 15 10.293 24.927 -8.271 1.00 0.00 H new ATOM 1444 N GLU B 16 8.059 28.840 -7.453 1.00 0.00 N ATOM 1445 CA GLU B 16 7.299 29.941 -6.867 1.00 0.00 C ATOM 1446 C GLU B 16 5.952 29.450 -6.334 1.00 0.00 C ATOM 1447 O GLU B 16 4.948 29.484 -7.047 1.00 0.00 O ATOM 1448 CB GLU B 16 7.064 31.033 -7.915 1.00 0.00 C ATOM 1449 CG GLU B 16 8.253 31.954 -8.124 1.00 0.00 C ATOM 1450 CD GLU B 16 8.657 32.684 -6.858 1.00 0.00 C ATOM 1451 OE1 GLU B 16 7.785 33.336 -6.244 1.00 0.00 O ATOM 1452 OE2 GLU B 16 9.844 32.604 -6.479 1.00 0.00 O ATOM 0 H GLU B 16 7.487 28.054 -7.762 1.00 0.00 H new ATOM 0 HA GLU B 16 7.877 30.348 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU B 16 6.811 30.562 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU B 16 6.203 31.630 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.099 31.371 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.011 32.683 -8.897 1.00 0.00 H new ATOM 1459 N VAL B 17 5.931 29.000 -5.082 1.00 0.00 N ATOM 1460 CA VAL B 17 4.696 28.511 -4.474 1.00 0.00 C ATOM 1461 C VAL B 17 3.681 29.639 -4.319 1.00 0.00 C ATOM 1462 O VAL B 17 3.983 30.684 -3.742 1.00 0.00 O ATOM 1463 CB VAL B 17 4.949 27.873 -3.091 1.00 0.00 C ATOM 1464 CG1 VAL B 17 3.634 27.466 -2.442 1.00 0.00 C ATOM 1465 CG2 VAL B 17 5.873 26.674 -3.211 1.00 0.00 C ATOM 0 H VAL B 17 6.748 28.964 -4.472 1.00 0.00 H new ATOM 0 HA VAL B 17 4.299 27.749 -5.144 1.00 0.00 H new ATOM 0 HB VAL B 17 5.433 28.616 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL B 17 3.832 27.018 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL B 17 3.003 28.346 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL B 17 3.124 26.742 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL B 17 6.037 26.241 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL B 17 5.419 25.928 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL B 17 6.828 26.991 -3.631 1.00 0.00 H new ATOM 1475 N GLU B 18 2.475 29.417 -4.833 1.00 0.00 N ATOM 1476 CA GLU B 18 1.414 30.413 -4.747 1.00 0.00 C ATOM 1477 C GLU B 18 0.851 30.480 -3.332 1.00 0.00 C ATOM 1478 O GLU B 18 0.451 29.463 -2.764 1.00 0.00 O ATOM 1479 CB GLU B 18 0.296 30.086 -5.740 1.00 0.00 C ATOM 1480 CG GLU B 18 0.802 29.702 -7.122 1.00 0.00 C ATOM 1481 CD GLU B 18 1.154 30.908 -7.969 1.00 0.00 C ATOM 1482 OE1 GLU B 18 2.145 31.595 -7.642 1.00 0.00 O ATOM 1483 OE2 GLU B 18 0.441 31.165 -8.961 1.00 0.00 O ATOM 0 H GLU B 18 2.209 28.557 -5.313 1.00 0.00 H new ATOM 0 HA GLU B 18 1.838 31.385 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.304 29.268 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.362 30.950 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU B 18 1.681 29.066 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.040 29.113 -7.633 1.00 0.00 H new ATOM 1490 N ASP B 19 0.823 31.685 -2.768 1.00 0.00 N ATOM 1491 CA ASP B 19 0.312 31.890 -1.415 1.00 0.00 C ATOM 1492 C ASP B 19 1.105 31.071 -0.401 1.00 0.00 C ATOM 1493 O ASP B 19 2.125 30.467 -0.737 1.00 0.00 O ATOM 1494 CB ASP B 19 -1.172 31.520 -1.343 1.00 0.00 C ATOM 1495 CG ASP B 19 -1.957 32.043 -2.528 1.00 0.00 C ATOM 1496 OD1 ASP B 19 -1.942 33.272 -2.756 1.00 0.00 O ATOM 1497 OD2 ASP B 19 -2.587 31.225 -3.232 1.00 0.00 O ATOM 0 H ASP B 19 1.149 32.535 -3.228 1.00 0.00 H new ATOM 0 HA ASP B 19 0.426 32.946 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -1.271 30.436 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -1.599 31.920 -0.423 1.00 0.00 H new ATOM 1502 N SER B 20 0.630 31.053 0.840 1.00 0.00 N ATOM 1503 CA SER B 20 1.295 30.308 1.903 1.00 0.00 C ATOM 1504 C SER B 20 0.522 29.036 2.239 1.00 0.00 C ATOM 1505 O SER B 20 0.917 27.937 1.848 1.00 0.00 O ATOM 1506 CB SER B 20 1.438 31.178 3.153 1.00 0.00 C ATOM 1507 OG SER B 20 1.859 32.489 2.816 1.00 0.00 O ATOM 0 H SER B 20 -0.213 31.546 1.134 1.00 0.00 H new ATOM 0 HA SER B 20 2.287 30.027 1.551 1.00 0.00 H new ATOM 0 HB2 SER B 20 0.485 31.223 3.680 1.00 0.00 H new ATOM 0 HB3 SER B 20 2.158 30.725 3.835 1.00 0.00 H new ATOM 0 HG SER B 20 1.941 33.026 3.632 1.00 0.00 H new ATOM 1513 N LYS B 21 -0.579 29.194 2.966 1.00 0.00 N ATOM 1514 CA LYS B 21 -1.408 28.059 3.356 1.00 0.00 C ATOM 1515 C LYS B 21 -2.891 28.396 3.220 1.00 0.00 C ATOM 1516 O LYS B 21 -3.308 29.518 3.509 1.00 0.00 O ATOM 1517 CB LYS B 21 -1.097 27.641 4.795 1.00 0.00 C ATOM 1518 CG LYS B 21 0.206 26.872 4.937 1.00 0.00 C ATOM 1519 CD LYS B 21 0.040 25.415 4.538 1.00 0.00 C ATOM 1520 CE LYS B 21 1.292 24.875 3.865 1.00 0.00 C ATOM 1521 NZ LYS B 21 1.347 23.388 3.905 1.00 0.00 N ATOM 0 H LYS B 21 -0.918 30.097 3.297 1.00 0.00 H new ATOM 0 HA LYS B 21 -1.179 27.229 2.688 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -1.054 28.532 5.422 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -1.915 27.026 5.171 1.00 0.00 H new ATOM 0 HG2 LYS B 21 0.972 27.335 4.316 1.00 0.00 H new ATOM 0 HG3 LYS B 21 0.553 26.930 5.968 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -0.185 24.818 5.422 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.809 25.316 3.862 1.00 0.00 H new ATOM 0 HE2 LYS B 21 1.321 25.211 2.829 1.00 0.00 H new ATOM 0 HE3 LYS B 21 2.174 25.284 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.296 23.068 3.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.142 23.059 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.642 22.997 3.249 1.00 0.00 H new ATOM 1535 N PRO B 22 -3.710 27.426 2.776 1.00 0.00 N ATOM 1536 CA PRO B 22 -5.153 27.622 2.601 1.00 0.00 C ATOM 1537 C PRO B 22 -5.908 27.607 3.925 1.00 0.00 C ATOM 1538 O PRO B 22 -7.105 27.892 3.970 1.00 0.00 O ATOM 1539 CB PRO B 22 -5.551 26.427 1.744 1.00 0.00 C ATOM 1540 CG PRO B 22 -4.622 25.368 2.195 1.00 0.00 C ATOM 1541 CD PRO B 22 -3.302 26.057 2.407 1.00 0.00 C ATOM 0 HA PRO B 22 -5.390 28.589 2.158 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -6.592 26.145 1.903 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -5.437 26.637 0.681 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -4.974 24.902 3.115 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -4.537 24.577 1.450 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -2.718 25.581 3.195 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.689 26.046 1.506 1.00 0.00 H new ATOM 1549 N LYS B 23 -5.201 27.274 5.000 1.00 0.00 N ATOM 1550 CA LYS B 23 -5.802 27.222 6.327 1.00 0.00 C ATOM 1551 C LYS B 23 -6.336 28.591 6.737 1.00 0.00 C ATOM 1552 O LYS B 23 -5.959 29.613 6.163 1.00 0.00 O ATOM 1553 CB LYS B 23 -4.780 26.734 7.354 1.00 0.00 C ATOM 1554 CG LYS B 23 -4.971 25.281 7.760 1.00 0.00 C ATOM 1555 CD LYS B 23 -5.747 25.163 9.061 1.00 0.00 C ATOM 1556 CE LYS B 23 -4.815 25.062 10.257 1.00 0.00 C ATOM 1557 NZ LYS B 23 -5.557 24.798 11.521 1.00 0.00 N ATOM 0 H LYS B 23 -4.209 27.036 4.977 1.00 0.00 H new ATOM 0 HA LYS B 23 -6.636 26.521 6.293 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -3.778 26.859 6.945 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -4.842 27.362 8.243 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -5.500 24.748 6.970 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -3.998 24.802 7.871 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -6.398 26.029 9.178 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -6.390 24.284 9.024 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -4.092 24.264 10.087 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -4.249 25.989 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -5.230 25.453 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -6.575 24.937 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -5.385 23.819 11.826 1.00 0.00 H new ATOM 1571 N LEU B 24 -7.218 28.603 7.732 1.00 0.00 N ATOM 1572 CA LEU B 24 -7.804 29.845 8.218 1.00 0.00 C ATOM 1573 C LEU B 24 -7.892 29.851 9.740 1.00 0.00 C ATOM 1574 O LEU B 24 -7.460 28.906 10.401 1.00 0.00 O ATOM 1575 CB LEU B 24 -9.195 30.045 7.617 1.00 0.00 C ATOM 1576 CG LEU B 24 -9.372 31.341 6.827 1.00 0.00 C ATOM 1577 CD1 LEU B 24 -10.265 31.109 5.621 1.00 0.00 C ATOM 1578 CD2 LEU B 24 -9.945 32.434 7.716 1.00 0.00 C ATOM 0 H LEU B 24 -7.542 27.766 8.217 1.00 0.00 H new ATOM 0 HA LEU B 24 -7.157 30.666 7.908 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -9.416 29.203 6.961 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -9.930 30.024 8.422 1.00 0.00 H new ATOM 0 HG LEU B 24 -8.394 31.666 6.473 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -10.381 32.042 5.069 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -9.813 30.358 4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -11.243 30.761 5.954 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -10.064 33.349 7.136 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -10.915 32.119 8.100 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -9.267 32.618 8.549 1.00 0.00 H new ATOM 1590 N SER B 25 -8.458 30.922 10.287 1.00 0.00 N ATOM 1591 CA SER B 25 -8.614 31.060 11.730 1.00 0.00 C ATOM 1592 C SER B 25 -9.499 32.258 12.058 1.00 0.00 C ATOM 1593 O SER B 25 -9.329 33.338 11.492 1.00 0.00 O ATOM 1594 CB SER B 25 -7.249 31.217 12.403 1.00 0.00 C ATOM 1595 OG SER B 25 -6.457 32.181 11.731 1.00 0.00 O ATOM 0 H SER B 25 -8.818 31.711 9.749 1.00 0.00 H new ATOM 0 HA SER B 25 -9.091 30.157 12.111 1.00 0.00 H new ATOM 0 HB2 SER B 25 -7.385 31.514 13.443 1.00 0.00 H new ATOM 0 HB3 SER B 25 -6.731 30.258 12.411 1.00 0.00 H new ATOM 0 HG SER B 25 -5.591 32.264 12.181 1.00 0.00 H new ATOM 1601 N ILE B 26 -10.451 32.060 12.964 1.00 0.00 N ATOM 1602 CA ILE B 26 -11.366 33.128 13.349 1.00 0.00 C ATOM 1603 C ILE B 26 -11.573 33.171 14.860 1.00 0.00 C ATOM 1604 O ILE B 26 -11.490 32.149 15.537 1.00 0.00 O ATOM 1605 CB ILE B 26 -12.729 32.962 12.658 1.00 0.00 C ATOM 1606 CG1 ILE B 26 -12.541 32.906 11.147 1.00 0.00 C ATOM 1607 CG2 ILE B 26 -13.672 34.092 13.033 1.00 0.00 C ATOM 1608 CD1 ILE B 26 -12.842 31.552 10.564 1.00 0.00 C ATOM 0 H ILE B 26 -10.609 31.174 13.444 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.910 34.065 13.030 1.00 0.00 H new ATOM 0 HB ILE B 26 -13.175 32.027 12.997 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -13.187 33.648 10.679 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -11.514 33.179 10.904 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -14.629 33.950 12.530 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.826 34.094 14.112 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -13.239 35.044 12.726 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -12.689 31.578 9.485 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -12.178 30.810 11.007 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.877 31.286 10.777 1.00 0.00 H new ATOM 1620 N HIS B 27 -11.851 34.362 15.379 1.00 0.00 N ATOM 1621 CA HIS B 27 -12.082 34.538 16.807 1.00 0.00 C ATOM 1622 C HIS B 27 -13.481 35.092 17.057 1.00 0.00 C ATOM 1623 O HIS B 27 -13.642 36.164 17.641 1.00 0.00 O ATOM 1624 CB HIS B 27 -11.029 35.472 17.410 1.00 0.00 C ATOM 1625 CG HIS B 27 -9.622 35.027 17.169 1.00 0.00 C ATOM 1626 ND1 HIS B 27 -9.154 34.634 15.932 1.00 0.00 N ATOM 1627 CD2 HIS B 27 -8.574 34.917 18.017 1.00 0.00 C ATOM 1628 CE1 HIS B 27 -7.879 34.301 16.031 1.00 0.00 C ATOM 1629 NE2 HIS B 27 -7.503 34.465 17.286 1.00 0.00 N ATOM 0 H HIS B 27 -11.922 35.220 14.831 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.001 33.564 17.290 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -11.161 36.471 16.994 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -11.197 35.549 18.484 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.579 35.143 19.073 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -7.252 33.954 15.223 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.568 34.285 17.653 1.00 0.00 H new ATOM 1638 N PHE B 28 -14.490 34.350 16.604 1.00 0.00 N ATOM 1639 CA PHE B 28 -15.882 34.758 16.770 1.00 0.00 C ATOM 1640 C PHE B 28 -16.177 35.127 18.220 1.00 0.00 C ATOM 1641 O PHE B 28 -16.116 34.279 19.111 1.00 0.00 O ATOM 1642 CB PHE B 28 -16.821 33.638 16.317 1.00 0.00 C ATOM 1643 CG PHE B 28 -16.860 33.442 14.828 1.00 0.00 C ATOM 1644 CD1 PHE B 28 -17.382 34.422 13.999 1.00 0.00 C ATOM 1645 CD2 PHE B 28 -16.377 32.275 14.256 1.00 0.00 C ATOM 1646 CE1 PHE B 28 -17.421 34.243 12.628 1.00 0.00 C ATOM 1647 CE2 PHE B 28 -16.413 32.090 12.886 1.00 0.00 C ATOM 1648 CZ PHE B 28 -16.936 33.076 12.072 1.00 0.00 C ATOM 0 H PHE B 28 -14.368 33.461 16.118 1.00 0.00 H new ATOM 0 HA PHE B 28 -16.050 35.639 16.150 1.00 0.00 H new ATOM 0 HB2 PHE B 28 -16.512 32.705 16.789 1.00 0.00 H new ATOM 0 HB3 PHE B 28 -17.828 33.856 16.672 1.00 0.00 H new ATOM 0 HD1 PHE B 28 -17.763 35.337 14.429 1.00 0.00 H new ATOM 0 HD2 PHE B 28 -15.968 31.501 14.888 1.00 0.00 H new ATOM 0 HE1 PHE B 28 -17.830 35.015 11.993 1.00 0.00 H new ATOM 0 HE2 PHE B 28 -16.033 31.176 12.453 1.00 0.00 H new ATOM 0 HZ PHE B 28 -16.965 32.934 11.002 1.00 0.00 H new ATOM 1658 N ASP B 29 -16.498 36.396 18.449 1.00 0.00 N ATOM 1659 CA ASP B 29 -16.803 36.878 19.790 1.00 0.00 C ATOM 1660 C ASP B 29 -18.311 36.968 20.004 1.00 0.00 C ATOM 1661 O ASP B 29 -18.840 36.451 20.988 1.00 0.00 O ATOM 1662 CB ASP B 29 -16.161 38.247 20.022 1.00 0.00 C ATOM 1663 CG ASP B 29 -14.892 38.158 20.848 1.00 0.00 C ATOM 1664 OD1 ASP B 29 -13.811 37.955 20.256 1.00 0.00 O ATOM 1665 OD2 ASP B 29 -14.981 38.291 22.086 1.00 0.00 O ATOM 0 H ASP B 29 -16.554 37.109 17.722 1.00 0.00 H new ATOM 0 HA ASP B 29 -16.393 36.167 20.507 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -15.934 38.706 19.060 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -16.874 38.899 20.526 1.00 0.00 H new ATOM 1670 N ASN B 30 -18.996 37.631 19.075 1.00 0.00 N ATOM 1671 CA ASN B 30 -20.445 37.793 19.156 1.00 0.00 C ATOM 1672 C ASN B 30 -20.847 38.476 20.461 1.00 0.00 C ATOM 1673 O ASN B 30 -20.003 39.022 21.173 1.00 0.00 O ATOM 1674 CB ASN B 30 -21.140 36.435 19.040 1.00 0.00 C ATOM 1675 CG ASN B 30 -20.531 35.563 17.960 1.00 0.00 C ATOM 1676 OD1 ASN B 30 -19.612 34.786 18.218 1.00 0.00 O ATOM 1677 ND2 ASN B 30 -21.041 35.689 16.739 1.00 0.00 N ATOM 0 H ASN B 30 -18.570 38.065 18.256 1.00 0.00 H new ATOM 0 HA ASN B 30 -20.760 38.425 18.326 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -21.081 35.917 19.997 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -22.198 36.589 18.825 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -20.671 35.129 15.971 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -21.803 36.346 16.570 1.00 0.00 H new ATOM 1684 N GLU B 31 -22.140 38.441 20.767 1.00 0.00 N ATOM 1685 CA GLU B 31 -22.654 39.056 21.986 1.00 0.00 C ATOM 1686 C GLU B 31 -22.953 37.999 23.044 1.00 0.00 C ATOM 1687 O GLU B 31 -24.006 37.362 23.019 1.00 0.00 O ATOM 1688 CB GLU B 31 -23.918 39.862 21.681 1.00 0.00 C ATOM 1689 CG GLU B 31 -24.151 41.015 22.644 1.00 0.00 C ATOM 1690 CD GLU B 31 -25.246 41.953 22.176 1.00 0.00 C ATOM 1691 OE1 GLU B 31 -26.428 41.679 22.472 1.00 0.00 O ATOM 1692 OE2 GLU B 31 -24.921 42.962 21.516 1.00 0.00 O ATOM 0 H GLU B 31 -22.851 37.994 20.188 1.00 0.00 H new ATOM 0 HA GLU B 31 -21.889 39.727 22.376 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -23.853 40.255 20.666 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -24.780 39.195 21.710 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -24.413 40.617 23.625 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -23.224 41.576 22.765 1.00 0.00 H new ATOM 1699 N TRP B 32 -22.020 37.818 23.973 1.00 0.00 N ATOM 1700 CA TRP B 32 -22.182 36.839 25.041 1.00 0.00 C ATOM 1701 C TRP B 32 -23.204 37.320 26.070 1.00 0.00 C ATOM 1702 O TRP B 32 -23.118 38.445 26.561 1.00 0.00 O ATOM 1703 CB TRP B 32 -20.840 36.572 25.726 1.00 0.00 C ATOM 1704 CG TRP B 32 -20.009 35.541 25.024 1.00 0.00 C ATOM 1705 CD1 TRP B 32 -19.075 35.762 24.054 1.00 0.00 C ATOM 1706 CD2 TRP B 32 -20.037 34.125 25.240 1.00 0.00 C ATOM 1707 NE1 TRP B 32 -18.521 34.572 23.652 1.00 0.00 N ATOM 1708 CE2 TRP B 32 -19.094 33.552 24.366 1.00 0.00 C ATOM 1709 CE3 TRP B 32 -20.767 33.287 26.087 1.00 0.00 C ATOM 1710 CZ2 TRP B 32 -18.863 32.179 24.316 1.00 0.00 C ATOM 1711 CZ3 TRP B 32 -20.536 31.924 26.037 1.00 0.00 C ATOM 1712 CH2 TRP B 32 -19.591 31.383 25.157 1.00 0.00 C ATOM 0 H TRP B 32 -21.143 38.337 24.007 1.00 0.00 H new ATOM 0 HA TRP B 32 -22.546 35.912 24.598 1.00 0.00 H new ATOM 0 HB2 TRP B 32 -20.278 37.504 25.783 1.00 0.00 H new ATOM 0 HB3 TRP B 32 -21.022 36.246 26.750 1.00 0.00 H new ATOM 0 HD1 TRP B 32 -18.810 36.732 23.660 1.00 0.00 H new ATOM 0 HE1 TRP B 32 -17.800 34.464 22.938 1.00 0.00 H new ATOM 0 HE3 TRP B 32 -21.498 33.696 26.768 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 -18.135 31.758 23.638 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 -21.094 31.266 26.687 1.00 0.00 H new ATOM 0 HH2 TRP B 32 -19.434 30.315 25.142 1.00 0.00 H new ATOM 1723 N PRO B 33 -24.190 36.471 26.411 1.00 0.00 N ATOM 1724 CA PRO B 33 -25.229 36.818 27.387 1.00 0.00 C ATOM 1725 C PRO B 33 -24.681 36.913 28.806 1.00 0.00 C ATOM 1726 O PRO B 33 -24.123 35.950 29.331 1.00 0.00 O ATOM 1727 CB PRO B 33 -26.225 35.662 27.276 1.00 0.00 C ATOM 1728 CG PRO B 33 -25.417 34.515 26.776 1.00 0.00 C ATOM 1729 CD PRO B 33 -24.370 35.108 25.875 1.00 0.00 C ATOM 0 HA PRO B 33 -25.667 37.795 27.184 1.00 0.00 H new ATOM 0 HB2 PRO B 33 -26.679 35.436 28.241 1.00 0.00 H new ATOM 0 HB3 PRO B 33 -27.037 35.903 26.590 1.00 0.00 H new ATOM 0 HG2 PRO B 33 -24.959 33.971 27.602 1.00 0.00 H new ATOM 0 HG3 PRO B 33 -26.041 33.805 26.234 1.00 0.00 H new ATOM 0 HD2 PRO B 33 -23.442 34.538 25.908 1.00 0.00 H new ATOM 0 HD3 PRO B 33 -24.697 35.125 24.835 1.00 0.00 H new ATOM 1737 N LYS B 34 -24.844 38.084 29.420 1.00 0.00 N ATOM 1738 CA LYS B 34 -24.368 38.318 30.781 1.00 0.00 C ATOM 1739 C LYS B 34 -22.855 38.141 30.871 1.00 0.00 C ATOM 1740 O LYS B 34 -22.346 37.021 30.832 1.00 0.00 O ATOM 1741 CB LYS B 34 -25.064 37.374 31.763 1.00 0.00 C ATOM 1742 CG LYS B 34 -26.581 37.410 31.673 1.00 0.00 C ATOM 1743 CD LYS B 34 -27.183 38.283 32.761 1.00 0.00 C ATOM 1744 CE LYS B 34 -27.916 39.479 32.176 1.00 0.00 C ATOM 1745 NZ LYS B 34 -27.801 40.681 33.046 1.00 0.00 N ATOM 0 H LYS B 34 -25.304 38.888 28.994 1.00 0.00 H new ATOM 0 HA LYS B 34 -24.611 39.347 31.047 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -24.722 36.356 31.579 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -24.763 37.633 32.778 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -26.880 37.788 30.695 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -26.976 36.397 31.758 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -27.873 37.691 33.363 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -26.394 38.630 33.428 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -27.512 39.705 31.189 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -28.968 39.229 32.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -28.314 41.474 32.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -28.210 40.474 33.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -26.799 40.936 33.155 1.00 0.00 H new ATOM 1759 N GLU B 35 -22.143 39.256 30.995 1.00 0.00 N ATOM 1760 CA GLU B 35 -20.689 39.228 31.092 1.00 0.00 C ATOM 1761 C GLU B 35 -20.238 39.319 32.546 1.00 0.00 C ATOM 1762 O GLU B 35 -20.582 40.265 33.254 1.00 0.00 O ATOM 1763 CB GLU B 35 -20.081 40.375 30.284 1.00 0.00 C ATOM 1764 CG GLU B 35 -20.243 40.214 28.781 1.00 0.00 C ATOM 1765 CD GLU B 35 -18.925 39.965 28.075 1.00 0.00 C ATOM 1766 OE1 GLU B 35 -18.211 39.018 28.468 1.00 0.00 O ATOM 1767 OE2 GLU B 35 -18.606 40.717 27.131 1.00 0.00 O ATOM 0 H GLU B 35 -22.550 40.191 31.031 1.00 0.00 H new ATOM 0 HA GLU B 35 -20.341 38.280 30.682 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -20.545 41.312 30.593 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -19.020 40.452 30.520 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -20.921 39.385 28.579 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -20.706 41.111 28.371 1.00 0.00 H new ATOM 1774 N ASP B 36 -19.467 38.329 32.984 1.00 0.00 N ATOM 1775 CA ASP B 36 -18.968 38.296 34.354 1.00 0.00 C ATOM 1776 C ASP B 36 -17.732 39.177 34.504 1.00 0.00 C ATOM 1777 O ASP B 36 -17.102 39.492 33.473 1.00 0.00 O ATOM 1778 CB ASP B 36 -18.636 36.859 34.764 1.00 0.00 C ATOM 1779 CG ASP B 36 -19.602 36.317 35.799 1.00 0.00 C ATOM 1780 OD1 ASP B 36 -19.409 36.604 36.999 1.00 0.00 O ATOM 1781 OD2 ASP B 36 -20.551 35.604 35.408 1.00 0.00 O ATOM 1782 OXT ASP B 36 -17.405 39.546 35.651 1.00 0.00 O ATOM 0 H ASP B 36 -19.174 37.539 32.410 1.00 0.00 H new ATOM 0 HA ASP B 36 -19.750 38.682 35.008 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -18.655 36.219 33.882 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -17.622 36.822 35.163 1.00 0.00 H new TER 1787 ASP B 36