USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 35 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 52 TYR OH : rot 111:sc= 0.952 USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 1.02 USER MOD Set 2.2: A 32 GLN : amide:sc= 1.8 K(o=2.8,f=2.2) USER MOD Single : A 1 LYS N :NH3+ 152:sc= 1.07 (180deg=-0.962) USER MOD Single : A 1 LYS NZ :NH3+ -120:sc= 1.17 (180deg=0.15) USER MOD Single : A 4 TYR OH : rot 44:sc= 0.0179 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.63) USER MOD Single : A 10 THR OG1 : rot -82:sc= 1.17 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 1.23 (180deg=-0.567) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0.364 (180deg=0.112) USER MOD Single : A 22 ASN : amide:sc= -0.177 K(o=-0.18,f=-5.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 1.06 (180deg=1) USER MOD Single : A 31 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 33 TYR OH : rot 49:sc= 1.77 USER MOD Single : A 40 TYR OH : rot -99:sc= 1.16 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -65:sc= 1.12 USER MOD Single : A 50 HIS : no HD1:sc= -1.85 X(o=-1.9,f=-1.8) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.419 K(o=0.42,f=-5.7!) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= 2.2 (180deg=0.142) USER MOD Single : A 66 SER OG : rot 50:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.427 2.002 1.533 1.00 1.00 N ATOM 2 CA LYS A 1 -9.613 0.833 1.244 1.00 1.00 C ATOM 3 C LYS A 1 -9.196 0.859 -0.229 1.00 1.00 C ATOM 4 O LYS A 1 -9.063 -0.189 -0.859 1.00 1.00 O ATOM 5 CB LYS A 1 -10.346 -0.445 1.652 1.00 1.00 C ATOM 6 CG LYS A 1 -11.704 -0.547 0.952 1.00 1.00 C ATOM 7 CD LYS A 1 -11.768 -1.785 0.057 1.00 1.00 C ATOM 8 CE LYS A 1 -12.962 -1.711 -0.896 1.00 1.00 C ATOM 9 NZ LYS A 1 -13.112 -2.982 -1.639 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.081 1.786 2.313 1.00 1.00 H new ATOM 0 H2 LYS A 1 -9.812 2.794 1.807 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.972 2.263 0.687 1.00 1.00 H new ATOM 0 HA LYS A 1 -8.698 0.851 1.836 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.737 -1.313 1.400 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -10.488 -0.458 2.733 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -12.499 -0.591 1.697 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -11.877 0.348 0.354 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -10.845 -1.872 -0.517 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -11.845 -2.680 0.674 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -13.872 -1.503 -0.333 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -12.825 -0.887 -1.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -13.030 -2.799 -2.660 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.367 -3.646 -1.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -14.044 -3.395 -1.435 1.00 1.00 H new ATOM 25 N GLU A 2 -9.000 2.068 -0.734 1.00 1.00 N ATOM 26 CA GLU A 2 -8.598 2.245 -2.118 1.00 1.00 C ATOM 27 C GLU A 2 -7.466 3.269 -2.216 1.00 1.00 C ATOM 28 O GLU A 2 -7.569 4.367 -1.673 1.00 1.00 O ATOM 29 CB GLU A 2 -9.787 2.658 -2.986 1.00 1.00 C ATOM 30 CG GLU A 2 -10.944 1.666 -2.840 1.00 1.00 C ATOM 31 CD GLU A 2 -11.885 2.086 -1.709 1.00 1.00 C ATOM 32 OE1 GLU A 2 -11.446 2.914 -0.882 1.00 1.00 O ATOM 33 OE2 GLU A 2 -13.024 1.570 -1.698 1.00 1.00 O ATOM 0 H GLU A 2 -9.112 2.935 -0.209 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.231 1.290 -2.493 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.121 3.656 -2.701 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.478 2.711 -4.030 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.498 1.608 -3.777 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.551 0.669 -2.640 1.00 1.00 H new ATOM 40 N GLY A 3 -6.411 2.874 -2.914 1.00 1.00 N ATOM 41 CA GLY A 3 -5.193 3.666 -2.944 1.00 1.00 C ATOM 42 C GLY A 3 -4.319 3.282 -4.139 1.00 1.00 C ATOM 43 O GLY A 3 -4.641 2.350 -4.875 1.00 1.00 O ATOM 0 H GLY A 3 -6.375 2.015 -3.463 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.445 4.725 -2.999 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.636 3.518 -2.019 1.00 1.00 H new ATOM 47 N TYR A 4 -3.229 4.020 -4.295 1.00 1.00 N ATOM 48 CA TYR A 4 -2.195 3.636 -5.242 1.00 1.00 C ATOM 49 C TYR A 4 -1.414 2.422 -4.738 1.00 1.00 C ATOM 50 O TYR A 4 -1.225 2.256 -3.533 1.00 1.00 O ATOM 51 CB TYR A 4 -1.248 4.833 -5.339 1.00 1.00 C ATOM 52 CG TYR A 4 -1.879 6.078 -5.963 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.219 6.082 -7.301 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.107 7.198 -5.189 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.814 7.254 -7.889 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.702 8.371 -5.778 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.026 8.340 -7.098 1.00 1.00 C ATOM 58 OH TYR A 4 -3.587 9.448 -7.654 1.00 1.00 O ATOM 0 H TYR A 4 -3.040 4.881 -3.782 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.634 3.371 -6.204 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.890 5.082 -4.340 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.376 4.547 -5.927 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.039 5.206 -7.907 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -1.840 7.195 -4.143 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.086 7.270 -8.934 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -2.886 9.254 -5.185 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.340 9.183 -8.223 1.00 1.00 H new ATOM 68 N LEU A 5 -0.982 1.602 -5.684 1.00 1.00 N ATOM 69 CA LEU A 5 -0.263 0.384 -5.349 1.00 1.00 C ATOM 70 C LEU A 5 1.210 0.717 -5.104 1.00 1.00 C ATOM 71 O LEU A 5 1.628 1.861 -5.270 1.00 1.00 O ATOM 72 CB LEU A 5 -0.482 -0.682 -6.425 1.00 1.00 C ATOM 73 CG LEU A 5 -1.059 -2.014 -5.942 1.00 1.00 C ATOM 74 CD1 LEU A 5 -2.443 -1.819 -5.320 1.00 1.00 C ATOM 75 CD2 LEU A 5 -1.078 -3.045 -7.073 1.00 1.00 C ATOM 0 H LEU A 5 -1.116 1.757 -6.683 1.00 1.00 H new ATOM 0 HA LEU A 5 -0.651 -0.045 -4.425 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.150 -0.273 -7.183 1.00 1.00 H new ATOM 0 HB3 LEU A 5 0.472 -0.878 -6.914 1.00 1.00 H new ATOM 0 HG LEU A 5 -0.408 -2.405 -5.160 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -2.830 -2.781 -4.985 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -2.367 -1.142 -4.469 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -3.119 -1.394 -6.062 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -1.493 -3.983 -6.703 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.693 -2.674 -7.893 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.062 -3.213 -7.429 1.00 1.00 H new ATOM 87 N VAL A 6 1.958 -0.306 -4.713 1.00 1.00 N ATOM 88 CA VAL A 6 3.084 -0.110 -3.817 1.00 1.00 C ATOM 89 C VAL A 6 4.089 -1.247 -4.012 1.00 1.00 C ATOM 90 O VAL A 6 3.703 -2.375 -4.315 1.00 1.00 O ATOM 91 CB VAL A 6 2.590 0.012 -2.375 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.778 -1.219 -1.968 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.757 0.241 -1.412 1.00 1.00 C ATOM 0 H VAL A 6 1.805 -1.273 -5.001 1.00 1.00 H new ATOM 0 HA VAL A 6 3.599 0.822 -4.049 1.00 1.00 H new ATOM 0 HB VAL A 6 1.934 0.881 -2.319 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.439 -1.107 -0.938 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.915 -1.319 -2.626 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.401 -2.109 -2.050 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.377 0.324 -0.394 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.450 -0.598 -1.474 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.276 1.161 -1.682 1.00 1.00 H new ATOM 103 N ASP A 7 5.357 -0.911 -3.828 1.00 1.00 N ATOM 104 CA ASP A 7 6.406 -1.917 -3.829 1.00 1.00 C ATOM 105 C ASP A 7 6.755 -2.284 -2.386 1.00 1.00 C ATOM 106 O ASP A 7 6.686 -1.441 -1.493 1.00 1.00 O ATOM 107 CB ASP A 7 7.674 -1.391 -4.504 1.00 1.00 C ATOM 108 CG ASP A 7 8.833 -2.387 -4.569 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.551 -3.596 -4.425 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.975 -1.916 -4.762 1.00 1.00 O ATOM 0 H ASP A 7 5.682 0.044 -3.677 1.00 1.00 H new ATOM 0 HA ASP A 7 6.040 -2.785 -4.378 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.425 -1.080 -5.519 1.00 1.00 H new ATOM 0 HB3 ASP A 7 8.009 -0.501 -3.971 1.00 1.00 H new ATOM 115 N LYS A 8 7.125 -3.543 -2.202 1.00 1.00 N ATOM 116 CA LYS A 8 7.482 -4.033 -0.882 1.00 1.00 C ATOM 117 C LYS A 8 8.979 -3.814 -0.648 1.00 1.00 C ATOM 118 O LYS A 8 9.418 -3.666 0.491 1.00 1.00 O ATOM 119 CB LYS A 8 7.041 -5.488 -0.712 1.00 1.00 C ATOM 120 CG LYS A 8 6.060 -5.631 0.453 1.00 1.00 C ATOM 121 CD LYS A 8 5.553 -7.070 0.569 1.00 1.00 C ATOM 122 CE LYS A 8 6.609 -7.973 1.209 1.00 1.00 C ATOM 123 NZ LYS A 8 6.069 -9.336 1.415 1.00 1.00 N ATOM 0 H LYS A 8 7.185 -4.239 -2.946 1.00 1.00 H new ATOM 0 HA LYS A 8 6.952 -3.471 -0.113 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.573 -5.840 -1.631 1.00 1.00 H new ATOM 0 HB3 LYS A 8 7.913 -6.118 -0.537 1.00 1.00 H new ATOM 0 HG2 LYS A 8 6.548 -5.338 1.382 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.217 -4.955 0.308 1.00 1.00 H new ATOM 0 HD2 LYS A 8 4.641 -7.091 1.166 1.00 1.00 H new ATOM 0 HD3 LYS A 8 5.296 -7.450 -0.420 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.492 -8.018 0.572 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.925 -7.553 2.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 6.798 -9.936 1.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 5.240 -9.290 2.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 5.789 -9.741 0.499 1.00 1.00 H new ATOM 137 N ASN A 9 9.720 -3.800 -1.746 1.00 1.00 N ATOM 138 CA ASN A 9 11.166 -3.683 -1.671 1.00 1.00 C ATOM 139 C ASN A 9 11.541 -2.230 -1.376 1.00 1.00 C ATOM 140 O ASN A 9 11.874 -1.889 -0.242 1.00 1.00 O ATOM 141 CB ASN A 9 11.821 -4.081 -2.995 1.00 1.00 C ATOM 142 CG ASN A 9 12.321 -5.526 -2.948 1.00 1.00 C ATOM 143 OD1 ASN A 9 11.817 -6.361 -2.215 1.00 1.00 O ATOM 144 ND2 ASN A 9 13.338 -5.774 -3.768 1.00 1.00 N ATOM 0 H ASN A 9 9.346 -3.868 -2.693 1.00 1.00 H new ATOM 0 HA ASN A 9 11.517 -4.347 -0.881 1.00 1.00 H new ATOM 0 HB2 ASN A 9 11.104 -3.967 -3.808 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.654 -3.411 -3.208 1.00 1.00 H new ATOM 0 HD21 ASN A 9 13.743 -6.709 -3.810 1.00 1.00 H new ATOM 0 HD22 ASN A 9 13.713 -5.029 -4.355 1.00 1.00 H new ATOM 151 N THR A 10 11.476 -1.412 -2.416 1.00 1.00 N ATOM 152 CA THR A 10 11.952 -0.042 -2.323 1.00 1.00 C ATOM 153 C THR A 10 10.864 0.862 -1.741 1.00 1.00 C ATOM 154 O THR A 10 11.159 1.937 -1.220 1.00 1.00 O ATOM 155 CB THR A 10 12.423 0.390 -3.713 1.00 1.00 C ATOM 156 OG1 THR A 10 11.250 0.310 -4.518 1.00 1.00 O ATOM 157 CG2 THR A 10 13.380 -0.621 -4.348 1.00 1.00 C ATOM 0 H THR A 10 11.101 -1.672 -3.328 1.00 1.00 H new ATOM 0 HA THR A 10 12.797 0.038 -1.639 1.00 1.00 H new ATOM 0 HB THR A 10 12.914 1.361 -3.644 1.00 1.00 H new ATOM 0 HG1 THR A 10 11.109 -0.618 -4.800 1.00 1.00 H new ATOM 0 HG21 THR A 10 13.684 -0.266 -5.333 1.00 1.00 H new ATOM 0 HG22 THR A 10 14.261 -0.735 -3.716 1.00 1.00 H new ATOM 0 HG23 THR A 10 12.878 -1.584 -4.448 1.00 1.00 H new ATOM 165 N GLY A 11 9.629 0.394 -1.850 1.00 1.00 N ATOM 166 CA GLY A 11 8.481 1.240 -1.567 1.00 1.00 C ATOM 167 C GLY A 11 8.429 2.432 -2.524 1.00 1.00 C ATOM 168 O GLY A 11 7.917 3.493 -2.170 1.00 1.00 O ATOM 0 H GLY A 11 9.398 -0.559 -2.130 1.00 1.00 H new ATOM 0 HA2 GLY A 11 7.564 0.657 -1.657 1.00 1.00 H new ATOM 0 HA3 GLY A 11 8.533 1.597 -0.538 1.00 1.00 H new ATOM 172 N CYS A 12 8.963 2.216 -3.717 1.00 1.00 N ATOM 173 CA CYS A 12 8.936 3.243 -4.745 1.00 1.00 C ATOM 174 C CYS A 12 8.121 2.718 -5.928 1.00 1.00 C ATOM 175 O CYS A 12 8.175 1.531 -6.246 1.00 1.00 O ATOM 176 CB CYS A 12 10.348 3.659 -5.164 1.00 1.00 C ATOM 177 SG CYS A 12 10.707 5.445 -4.985 1.00 1.00 S ATOM 0 H CYS A 12 9.417 1.346 -3.995 1.00 1.00 H new ATOM 0 HA CYS A 12 8.464 4.143 -4.352 1.00 1.00 H new ATOM 0 HB2 CYS A 12 11.069 3.097 -4.570 1.00 1.00 H new ATOM 0 HB3 CYS A 12 10.502 3.374 -6.205 1.00 1.00 H new ATOM 182 N LYS A 13 7.382 3.628 -6.546 1.00 1.00 N ATOM 183 CA LYS A 13 7.225 3.606 -7.991 1.00 1.00 C ATOM 184 C LYS A 13 6.303 2.449 -8.381 1.00 1.00 C ATOM 185 O LYS A 13 6.768 1.340 -8.636 1.00 1.00 O ATOM 186 CB LYS A 13 8.590 3.563 -8.679 1.00 1.00 C ATOM 187 CG LYS A 13 8.467 3.911 -10.165 1.00 1.00 C ATOM 188 CD LYS A 13 9.822 3.801 -10.867 1.00 1.00 C ATOM 189 CE LYS A 13 9.775 4.451 -12.251 1.00 1.00 C ATOM 190 NZ LYS A 13 8.795 3.756 -13.117 1.00 1.00 N ATOM 0 H LYS A 13 6.886 4.384 -6.074 1.00 1.00 H new ATOM 0 HA LYS A 13 6.750 4.524 -8.336 1.00 1.00 H new ATOM 0 HB2 LYS A 13 9.268 4.264 -8.193 1.00 1.00 H new ATOM 0 HB3 LYS A 13 9.025 2.570 -8.569 1.00 1.00 H new ATOM 0 HG2 LYS A 13 7.751 3.241 -10.641 1.00 1.00 H new ATOM 0 HG3 LYS A 13 8.078 4.923 -10.274 1.00 1.00 H new ATOM 0 HD2 LYS A 13 10.590 4.282 -10.261 1.00 1.00 H new ATOM 0 HD3 LYS A 13 10.102 2.752 -10.963 1.00 1.00 H new ATOM 0 HE2 LYS A 13 9.504 5.503 -12.156 1.00 1.00 H new ATOM 0 HE3 LYS A 13 10.763 4.416 -12.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 9.229 3.554 -14.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 8.506 2.864 -12.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 7.960 4.362 -13.252 1.00 1.00 H new ATOM 204 N TYR A 14 5.012 2.748 -8.416 1.00 1.00 N ATOM 205 CA TYR A 14 4.054 1.856 -9.046 1.00 1.00 C ATOM 206 C TYR A 14 3.032 2.641 -9.870 1.00 1.00 C ATOM 207 O TYR A 14 2.192 3.348 -9.315 1.00 1.00 O ATOM 208 CB TYR A 14 3.328 1.143 -7.902 1.00 1.00 C ATOM 209 CG TYR A 14 3.496 -0.378 -7.912 1.00 1.00 C ATOM 210 CD1 TYR A 14 4.572 -0.958 -7.270 1.00 1.00 C ATOM 211 CD2 TYR A 14 2.572 -1.170 -8.562 1.00 1.00 C ATOM 212 CE1 TYR A 14 4.729 -2.389 -7.279 1.00 1.00 C ATOM 213 CE2 TYR A 14 2.729 -2.602 -8.571 1.00 1.00 C ATOM 214 CZ TYR A 14 3.801 -3.141 -7.929 1.00 1.00 C ATOM 215 OH TYR A 14 3.949 -4.493 -7.937 1.00 1.00 O ATOM 0 H TYR A 14 4.608 3.596 -8.018 1.00 1.00 H new ATOM 0 HA TYR A 14 4.560 1.163 -9.719 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.696 1.533 -6.953 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.266 1.382 -7.955 1.00 1.00 H new ATOM 0 HD1 TYR A 14 5.296 -0.338 -6.761 1.00 1.00 H new ATOM 0 HD2 TYR A 14 1.731 -0.716 -9.064 1.00 1.00 H new ATOM 0 HE1 TYR A 14 5.566 -2.855 -6.780 1.00 1.00 H new ATOM 0 HE2 TYR A 14 2.012 -3.233 -9.076 1.00 1.00 H new ATOM 0 HH TYR A 14 4.406 -4.777 -7.118 1.00 1.00 H new ATOM 225 N GLU A 15 3.138 2.491 -11.182 1.00 1.00 N ATOM 226 CA GLU A 15 2.688 3.530 -12.093 1.00 1.00 C ATOM 227 C GLU A 15 2.622 2.989 -13.523 1.00 1.00 C ATOM 228 O GLU A 15 3.110 1.896 -13.801 1.00 1.00 O ATOM 229 CB GLU A 15 3.594 4.760 -12.014 1.00 1.00 C ATOM 230 CG GLU A 15 5.064 4.370 -12.180 1.00 1.00 C ATOM 231 CD GLU A 15 5.961 5.609 -12.201 1.00 1.00 C ATOM 232 OE1 GLU A 15 5.649 6.548 -11.437 1.00 1.00 O ATOM 233 OE2 GLU A 15 6.939 5.588 -12.980 1.00 1.00 O ATOM 0 H GLU A 15 3.529 1.666 -11.636 1.00 1.00 H new ATOM 0 HA GLU A 15 1.686 3.838 -11.794 1.00 1.00 H new ATOM 0 HB2 GLU A 15 3.314 5.473 -12.789 1.00 1.00 H new ATOM 0 HB3 GLU A 15 3.453 5.259 -11.055 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.364 3.713 -11.363 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.193 3.808 -13.105 1.00 1.00 H new ATOM 240 N CYS A 16 2.013 3.781 -14.393 1.00 1.00 N ATOM 241 CA CYS A 16 1.861 3.389 -15.784 1.00 1.00 C ATOM 242 C CYS A 16 2.051 4.631 -16.658 1.00 1.00 C ATOM 243 O CYS A 16 1.644 5.729 -16.279 1.00 1.00 O ATOM 244 CB CYS A 16 0.511 2.715 -16.037 1.00 1.00 C ATOM 245 SG CYS A 16 -0.872 3.363 -15.029 1.00 1.00 S ATOM 0 H CYS A 16 1.619 4.693 -14.162 1.00 1.00 H new ATOM 0 HA CYS A 16 2.618 2.647 -16.040 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.257 2.827 -17.091 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.613 1.647 -15.845 1.00 1.00 H new ATOM 250 N LEU A 17 2.669 4.416 -17.809 1.00 1.00 N ATOM 251 CA LEU A 17 2.892 5.499 -18.752 1.00 1.00 C ATOM 252 C LEU A 17 1.556 5.909 -19.375 1.00 1.00 C ATOM 253 O LEU A 17 0.787 5.058 -19.819 1.00 1.00 O ATOM 254 CB LEU A 17 3.954 5.103 -19.781 1.00 1.00 C ATOM 255 CG LEU A 17 3.570 3.978 -20.743 1.00 1.00 C ATOM 256 CD1 LEU A 17 3.161 4.538 -22.106 1.00 1.00 C ATOM 257 CD2 LEU A 17 4.697 2.949 -20.860 1.00 1.00 C ATOM 0 H LEU A 17 3.023 3.508 -18.111 1.00 1.00 H new ATOM 0 HA LEU A 17 3.288 6.375 -18.239 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.209 5.985 -20.368 1.00 1.00 H new ATOM 0 HB3 LEU A 17 4.856 4.805 -19.246 1.00 1.00 H new ATOM 0 HG LEU A 17 2.702 3.460 -20.335 1.00 1.00 H new ATOM 0 HD11 LEU A 17 2.893 3.717 -22.771 1.00 1.00 H new ATOM 0 HD12 LEU A 17 2.305 5.201 -21.985 1.00 1.00 H new ATOM 0 HD13 LEU A 17 3.994 5.095 -22.535 1.00 1.00 H new ATOM 0 HD21 LEU A 17 4.399 2.160 -21.550 1.00 1.00 H new ATOM 0 HD22 LEU A 17 5.597 3.436 -21.234 1.00 1.00 H new ATOM 0 HD23 LEU A 17 4.899 2.517 -19.880 1.00 1.00 H new ATOM 269 N LYS A 18 1.321 7.213 -19.388 1.00 1.00 N ATOM 270 CA LYS A 18 0.058 7.741 -19.872 1.00 1.00 C ATOM 271 C LYS A 18 -1.054 7.377 -18.885 1.00 1.00 C ATOM 272 O LYS A 18 -1.032 6.302 -18.288 1.00 1.00 O ATOM 273 CB LYS A 18 -0.210 7.265 -21.301 1.00 1.00 C ATOM 274 CG LYS A 18 -1.033 8.295 -22.077 1.00 1.00 C ATOM 275 CD LYS A 18 -1.735 7.648 -23.273 1.00 1.00 C ATOM 276 CE LYS A 18 -3.097 7.080 -22.868 1.00 1.00 C ATOM 277 NZ LYS A 18 -3.629 6.202 -23.934 1.00 1.00 N ATOM 0 H LYS A 18 1.985 7.919 -19.071 1.00 1.00 H new ATOM 0 HA LYS A 18 0.096 8.829 -19.925 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.736 7.090 -21.813 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -0.741 6.313 -21.278 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.774 8.746 -21.417 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.383 9.099 -22.423 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -1.865 8.385 -24.065 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -1.111 6.852 -23.678 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -3.002 6.518 -21.939 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -3.795 7.895 -22.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -4.602 5.920 -23.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -3.627 6.714 -24.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.033 5.354 -24.015 1.00 1.00 H new ATOM 291 N LEU A 19 -1.998 8.296 -18.742 1.00 1.00 N ATOM 292 CA LEU A 19 -3.160 8.050 -17.904 1.00 1.00 C ATOM 293 C LEU A 19 -4.312 7.540 -18.772 1.00 1.00 C ATOM 294 O LEU A 19 -4.307 7.727 -19.987 1.00 1.00 O ATOM 295 CB LEU A 19 -3.508 9.300 -17.092 1.00 1.00 C ATOM 296 CG LEU A 19 -3.961 10.519 -17.899 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.329 11.013 -17.424 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.906 11.626 -17.859 1.00 1.00 C ATOM 0 H LEU A 19 -1.982 9.211 -19.192 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.944 7.272 -17.172 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.298 9.042 -16.386 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.635 9.582 -16.504 1.00 1.00 H new ATOM 0 HG LEU A 19 -4.071 10.218 -18.941 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.628 11.880 -18.014 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -6.065 10.219 -17.547 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.270 11.293 -16.372 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.253 12.480 -18.440 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.740 11.933 -16.826 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.973 11.255 -18.282 1.00 1.00 H new ATOM 310 N GLY A 20 -5.269 6.905 -18.114 1.00 1.00 N ATOM 311 CA GLY A 20 -6.474 6.457 -18.793 1.00 1.00 C ATOM 312 C GLY A 20 -6.437 4.947 -19.035 1.00 1.00 C ATOM 313 O GLY A 20 -7.375 4.235 -18.678 1.00 1.00 O ATOM 0 H GLY A 20 -5.236 6.689 -17.118 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.349 6.712 -18.195 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.575 6.979 -19.744 1.00 1.00 H new ATOM 317 N ASP A 21 -5.345 4.503 -19.640 1.00 1.00 N ATOM 318 CA ASP A 21 -5.278 3.149 -20.163 1.00 1.00 C ATOM 319 C ASP A 21 -5.176 2.161 -19.000 1.00 1.00 C ATOM 320 O ASP A 21 -4.078 1.838 -18.550 1.00 1.00 O ATOM 321 CB ASP A 21 -4.045 2.964 -21.051 1.00 1.00 C ATOM 322 CG ASP A 21 -4.006 3.849 -22.297 1.00 1.00 C ATOM 323 OD1 ASP A 21 -5.052 4.468 -22.587 1.00 1.00 O ATOM 324 OD2 ASP A 21 -2.931 3.886 -22.934 1.00 1.00 O ATOM 0 H ASP A 21 -4.500 5.057 -19.780 1.00 1.00 H new ATOM 0 HA ASP A 21 -6.178 2.969 -20.751 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -3.154 3.162 -20.455 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.994 1.921 -21.363 1.00 1.00 H new ATOM 329 N ASN A 22 -6.336 1.711 -18.546 1.00 1.00 N ATOM 330 CA ASN A 22 -6.398 0.851 -17.375 1.00 1.00 C ATOM 331 C ASN A 22 -6.167 -0.600 -17.800 1.00 1.00 C ATOM 332 O ASN A 22 -7.025 -1.456 -17.591 1.00 1.00 O ATOM 333 CB ASN A 22 -7.771 0.935 -16.704 1.00 1.00 C ATOM 334 CG ASN A 22 -8.885 0.565 -17.685 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.866 0.925 -18.850 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.854 -0.173 -17.151 1.00 1.00 N ATOM 0 H ASN A 22 -7.240 1.925 -18.967 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.632 1.180 -16.673 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.801 0.265 -15.845 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.934 1.945 -16.327 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.643 -0.472 -17.725 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.809 -0.440 -16.168 1.00 1.00 H new ATOM 343 N ASP A 23 -5.003 -0.832 -18.388 1.00 1.00 N ATOM 344 CA ASP A 23 -4.591 -2.185 -18.724 1.00 1.00 C ATOM 345 C ASP A 23 -3.486 -2.630 -17.764 1.00 1.00 C ATOM 346 O ASP A 23 -3.685 -3.542 -16.964 1.00 1.00 O ATOM 347 CB ASP A 23 -4.037 -2.254 -20.148 1.00 1.00 C ATOM 348 CG ASP A 23 -3.273 -3.536 -20.483 1.00 1.00 C ATOM 349 OD1 ASP A 23 -3.822 -4.618 -20.186 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.155 -3.405 -21.029 1.00 1.00 O ATOM 0 H ASP A 23 -4.332 -0.106 -18.641 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.464 -2.833 -18.645 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.865 -2.148 -20.849 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.375 -1.403 -20.306 1.00 1.00 H new ATOM 355 N TYR A 24 -2.345 -1.966 -17.877 1.00 1.00 N ATOM 356 CA TYR A 24 -1.183 -2.334 -17.087 1.00 1.00 C ATOM 357 C TYR A 24 -1.481 -2.222 -15.589 1.00 1.00 C ATOM 358 O TYR A 24 -1.052 -3.064 -14.802 1.00 1.00 O ATOM 359 CB TYR A 24 -0.088 -1.330 -17.453 1.00 1.00 C ATOM 360 CG TYR A 24 0.316 -1.362 -18.928 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.956 -2.470 -19.444 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.040 -0.282 -19.742 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.336 -2.499 -20.833 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.421 -0.311 -21.131 1.00 1.00 C ATOM 365 CZ TYR A 24 1.050 -1.419 -21.608 1.00 1.00 C ATOM 366 OH TYR A 24 1.408 -1.447 -22.919 1.00 1.00 O ATOM 0 H TYR A 24 -2.201 -1.175 -18.504 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.891 -3.364 -17.291 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.431 -0.326 -17.202 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.792 -1.528 -16.841 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.172 -3.315 -18.807 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.462 0.585 -19.338 1.00 1.00 H new ATOM 0 HE1 TYR A 24 1.837 -3.360 -21.250 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.212 0.528 -21.779 1.00 1.00 H new ATOM 0 HH TYR A 24 1.139 -0.609 -23.349 1.00 1.00 H new ATOM 376 N CYS A 25 -2.215 -1.174 -15.241 1.00 1.00 N ATOM 377 CA CYS A 25 -2.529 -0.911 -13.848 1.00 1.00 C ATOM 378 C CYS A 25 -3.446 -2.027 -13.343 1.00 1.00 C ATOM 379 O CYS A 25 -3.338 -2.453 -12.194 1.00 1.00 O ATOM 380 CB CYS A 25 -3.159 0.471 -13.661 1.00 1.00 C ATOM 381 SG CYS A 25 -2.016 1.877 -13.922 1.00 1.00 S ATOM 0 H CYS A 25 -2.601 -0.498 -15.900 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.610 -0.902 -13.262 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.997 0.569 -14.351 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.567 0.535 -12.652 1.00 1.00 H new ATOM 386 N LEU A 26 -4.327 -2.471 -14.227 1.00 1.00 N ATOM 387 CA LEU A 26 -5.192 -3.599 -13.922 1.00 1.00 C ATOM 388 C LEU A 26 -4.333 -4.842 -13.680 1.00 1.00 C ATOM 389 O LEU A 26 -4.530 -5.556 -12.698 1.00 1.00 O ATOM 390 CB LEU A 26 -6.243 -3.780 -15.018 1.00 1.00 C ATOM 391 CG LEU A 26 -7.691 -3.918 -14.542 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.666 -3.819 -15.716 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.885 -5.208 -13.743 1.00 1.00 C ATOM 0 H LEU A 26 -4.461 -2.070 -15.155 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.752 -3.414 -13.005 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.184 -2.928 -15.695 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.986 -4.666 -15.598 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.910 -3.088 -13.871 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.688 -3.920 -15.350 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.550 -2.852 -16.205 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.456 -4.614 -16.431 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.922 -5.281 -13.417 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.641 -6.065 -14.371 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.230 -5.198 -12.872 1.00 1.00 H new ATOM 405 N ARG A 27 -3.401 -5.064 -14.594 1.00 1.00 N ATOM 406 CA ARG A 27 -2.565 -6.253 -14.537 1.00 1.00 C ATOM 407 C ARG A 27 -1.738 -6.259 -13.251 1.00 1.00 C ATOM 408 O ARG A 27 -1.582 -7.299 -12.614 1.00 1.00 O ATOM 409 CB ARG A 27 -1.624 -6.322 -15.742 1.00 1.00 C ATOM 410 CG ARG A 27 -2.164 -7.280 -16.806 1.00 1.00 C ATOM 411 CD ARG A 27 -3.311 -6.638 -17.590 1.00 1.00 C ATOM 412 NE ARG A 27 -3.969 -7.652 -18.443 1.00 1.00 N ATOM 413 CZ ARG A 27 -5.128 -7.455 -19.087 1.00 1.00 C ATOM 414 NH1 ARG A 27 -5.605 -6.212 -19.241 1.00 1.00 N ATOM 415 NH2 ARG A 27 -5.809 -8.500 -19.577 1.00 1.00 N ATOM 0 H ARG A 27 -3.205 -4.442 -15.378 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.222 -7.122 -14.553 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.503 -5.327 -16.171 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.637 -6.652 -15.418 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -1.362 -7.559 -17.490 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.512 -8.198 -16.332 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -4.036 -6.204 -16.901 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -2.930 -5.824 -18.206 1.00 1.00 H new ATOM 0 HE ARG A 27 -3.512 -8.558 -18.548 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -5.086 -5.417 -18.868 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -6.487 -6.061 -19.731 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -5.445 -9.446 -19.460 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -6.691 -8.350 -20.067 1.00 1.00 H new ATOM 429 N GLU A 28 -1.228 -5.085 -12.907 1.00 1.00 N ATOM 430 CA GLU A 28 -0.423 -4.941 -11.706 1.00 1.00 C ATOM 431 C GLU A 28 -1.252 -5.283 -10.467 1.00 1.00 C ATOM 432 O GLU A 28 -0.801 -6.030 -9.600 1.00 1.00 O ATOM 433 CB GLU A 28 0.162 -3.531 -11.604 1.00 1.00 C ATOM 434 CG GLU A 28 1.599 -3.494 -12.128 1.00 1.00 C ATOM 435 CD GLU A 28 1.639 -3.756 -13.635 1.00 1.00 C ATOM 436 OE1 GLU A 28 1.585 -4.949 -14.005 1.00 1.00 O ATOM 437 OE2 GLU A 28 1.725 -2.757 -14.383 1.00 1.00 O ATOM 0 H GLU A 28 -1.357 -4.225 -13.439 1.00 1.00 H new ATOM 0 HA GLU A 28 0.411 -5.641 -11.765 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.455 -2.836 -12.174 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.141 -3.199 -10.566 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.044 -2.523 -11.912 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.199 -4.242 -11.609 1.00 1.00 H new ATOM 444 N CYS A 29 -2.450 -4.719 -10.422 1.00 1.00 N ATOM 445 CA CYS A 29 -3.378 -5.019 -9.346 1.00 1.00 C ATOM 446 C CYS A 29 -3.572 -6.536 -9.287 1.00 1.00 C ATOM 447 O CYS A 29 -3.526 -7.129 -8.210 1.00 1.00 O ATOM 448 CB CYS A 29 -4.707 -4.281 -9.522 1.00 1.00 C ATOM 449 SG CYS A 29 -5.457 -3.670 -7.969 1.00 1.00 S ATOM 0 H CYS A 29 -2.799 -4.056 -11.114 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.966 -4.669 -8.400 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.551 -3.435 -10.191 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.415 -4.949 -10.013 1.00 1.00 H new ATOM 454 N LYS A 30 -3.785 -7.119 -10.457 1.00 1.00 N ATOM 455 CA LYS A 30 -4.307 -8.473 -10.535 1.00 1.00 C ATOM 456 C LYS A 30 -3.160 -9.468 -10.345 1.00 1.00 C ATOM 457 O LYS A 30 -3.395 -10.651 -10.104 1.00 1.00 O ATOM 458 CB LYS A 30 -5.086 -8.673 -11.836 1.00 1.00 C ATOM 459 CG LYS A 30 -6.522 -9.115 -11.552 1.00 1.00 C ATOM 460 CD LYS A 30 -7.346 -9.163 -12.841 1.00 1.00 C ATOM 461 CE LYS A 30 -8.814 -9.475 -12.543 1.00 1.00 C ATOM 462 NZ LYS A 30 -9.518 -8.259 -12.076 1.00 1.00 N ATOM 0 H LYS A 30 -3.606 -6.679 -11.359 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.022 -8.653 -9.732 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.094 -7.744 -12.406 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.587 -9.421 -12.452 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.517 -10.099 -11.082 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.985 -8.426 -10.845 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.272 -8.207 -13.360 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.938 -9.921 -13.509 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -9.299 -9.862 -13.439 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.879 -10.254 -11.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.533 -8.462 -11.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -9.131 -7.965 -11.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.385 -7.494 -12.768 1.00 1.00 H new ATOM 476 N GLN A 31 -1.945 -8.952 -10.461 1.00 1.00 N ATOM 477 CA GLN A 31 -0.777 -9.672 -9.983 1.00 1.00 C ATOM 478 C GLN A 31 -0.235 -9.017 -8.711 1.00 1.00 C ATOM 479 O GLN A 31 0.933 -8.636 -8.654 1.00 1.00 O ATOM 480 CB GLN A 31 0.302 -9.747 -11.064 1.00 1.00 C ATOM 481 CG GLN A 31 -0.241 -10.402 -12.336 1.00 1.00 C ATOM 482 CD GLN A 31 0.687 -10.142 -13.524 1.00 1.00 C ATOM 483 OE1 GLN A 31 1.411 -11.011 -13.982 1.00 1.00 O ATOM 484 NE2 GLN A 31 0.624 -8.901 -13.998 1.00 1.00 N ATOM 0 H GLN A 31 -1.744 -8.044 -10.879 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.076 -10.693 -9.744 1.00 1.00 H new ATOM 0 HB2 GLN A 31 0.663 -8.744 -11.293 1.00 1.00 H new ATOM 0 HB3 GLN A 31 1.155 -10.316 -10.693 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -0.346 -11.476 -12.180 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.235 -10.012 -12.554 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -0.004 -8.222 -13.568 1.00 1.00 H new ATOM 0 HE22 GLN A 31 1.204 -8.628 -14.792 1.00 1.00 H new ATOM 493 N GLN A 32 -1.109 -8.905 -7.721 1.00 1.00 N ATOM 494 CA GLN A 32 -0.693 -9.041 -6.335 1.00 1.00 C ATOM 495 C GLN A 32 -1.902 -8.926 -5.404 1.00 1.00 C ATOM 496 O GLN A 32 -1.879 -9.437 -4.286 1.00 1.00 O ATOM 497 CB GLN A 32 0.374 -8.003 -5.980 1.00 1.00 C ATOM 498 CG GLN A 32 -0.084 -6.594 -6.361 1.00 1.00 C ATOM 499 CD GLN A 32 1.114 -5.689 -6.653 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.450 -4.794 -5.894 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.740 -5.971 -7.793 1.00 1.00 N ATOM 0 H GLN A 32 -2.104 -8.722 -7.851 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.251 -10.029 -6.203 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.585 -8.044 -4.911 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.303 -8.240 -6.498 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.730 -6.642 -7.238 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.677 -6.169 -5.551 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.407 -6.734 -8.383 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.553 -5.424 -8.077 1.00 1.00 H new ATOM 510 N TYR A 33 -2.929 -8.253 -5.901 1.00 1.00 N ATOM 511 CA TYR A 33 -4.282 -8.495 -5.429 1.00 1.00 C ATOM 512 C TYR A 33 -5.101 -9.251 -6.477 1.00 1.00 C ATOM 513 O TYR A 33 -6.234 -8.877 -6.772 1.00 1.00 O ATOM 514 CB TYR A 33 -4.906 -7.115 -5.209 1.00 1.00 C ATOM 515 CG TYR A 33 -4.175 -6.260 -4.173 1.00 1.00 C ATOM 516 CD1 TYR A 33 -3.136 -5.439 -4.564 1.00 1.00 C ATOM 517 CD2 TYR A 33 -4.553 -6.308 -2.847 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.447 -4.634 -3.590 1.00 1.00 C ATOM 519 CE2 TYR A 33 -3.865 -5.503 -1.872 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.846 -4.705 -2.291 1.00 1.00 C ATOM 521 OH TYR A 33 -2.196 -3.944 -1.369 1.00 1.00 O ATOM 0 H TYR A 33 -2.852 -7.540 -6.626 1.00 1.00 H new ATOM 0 HA TYR A 33 -4.269 -9.097 -4.521 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -4.924 -6.580 -6.159 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -5.942 -7.242 -4.895 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.840 -5.401 -5.602 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.366 -6.950 -2.540 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.632 -3.989 -3.883 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -4.151 -5.532 -0.831 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.128 -3.022 -1.695 1.00 1.00 H new ATOM 531 N GLY A 34 -4.494 -10.301 -7.011 1.00 1.00 N ATOM 532 CA GLY A 34 -5.159 -11.122 -8.009 1.00 1.00 C ATOM 533 C GLY A 34 -6.484 -11.669 -7.475 1.00 1.00 C ATOM 534 O GLY A 34 -7.312 -12.158 -8.241 1.00 1.00 O ATOM 0 H GLY A 34 -3.549 -10.602 -6.772 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.341 -10.532 -8.908 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -4.510 -11.949 -8.296 1.00 1.00 H new ATOM 538 N LYS A 35 -6.643 -11.570 -6.163 1.00 1.00 N ATOM 539 CA LYS A 35 -7.898 -11.936 -5.531 1.00 1.00 C ATOM 540 C LYS A 35 -8.948 -10.864 -5.831 1.00 1.00 C ATOM 541 O LYS A 35 -9.372 -10.138 -4.934 1.00 1.00 O ATOM 542 CB LYS A 35 -7.691 -12.193 -4.036 1.00 1.00 C ATOM 543 CG LYS A 35 -6.734 -13.365 -3.809 1.00 1.00 C ATOM 544 CD LYS A 35 -5.436 -12.894 -3.152 1.00 1.00 C ATOM 545 CE LYS A 35 -5.640 -12.628 -1.660 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.602 -11.707 -1.149 1.00 1.00 N ATOM 0 H LYS A 35 -5.922 -11.241 -5.520 1.00 1.00 H new ATOM 0 HA LYS A 35 -8.272 -12.873 -5.943 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.293 -11.296 -3.561 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.650 -12.405 -3.563 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -7.214 -14.114 -3.179 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -6.510 -13.846 -4.761 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -4.661 -13.649 -3.288 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -5.085 -11.986 -3.642 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -6.628 -12.199 -1.493 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -5.603 -13.568 -1.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -4.651 -11.670 -0.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.663 -12.047 -1.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.761 -10.755 -1.537 1.00 1.00 H new ATOM 560 N GLY A 36 -9.335 -10.798 -7.096 1.00 1.00 N ATOM 561 CA GLY A 36 -10.641 -10.267 -7.452 1.00 1.00 C ATOM 562 C GLY A 36 -10.634 -8.737 -7.424 1.00 1.00 C ATOM 563 O GLY A 36 -11.669 -8.113 -7.192 1.00 1.00 O ATOM 0 H GLY A 36 -8.768 -11.103 -7.887 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.921 -10.615 -8.446 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.393 -10.644 -6.759 1.00 1.00 H new ATOM 567 N ALA A 37 -9.458 -8.177 -7.663 1.00 1.00 N ATOM 568 CA ALA A 37 -9.255 -6.752 -7.470 1.00 1.00 C ATOM 569 C ALA A 37 -9.182 -6.061 -8.833 1.00 1.00 C ATOM 570 O ALA A 37 -9.340 -6.706 -9.869 1.00 1.00 O ATOM 571 CB ALA A 37 -7.994 -6.525 -6.633 1.00 1.00 C ATOM 0 H ALA A 37 -8.635 -8.685 -7.989 1.00 1.00 H new ATOM 0 HA ALA A 37 -10.092 -6.316 -6.925 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.841 -5.456 -6.488 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.109 -7.010 -5.664 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.133 -6.948 -7.151 1.00 1.00 H new ATOM 577 N GLY A 38 -8.941 -4.759 -8.790 1.00 1.00 N ATOM 578 CA GLY A 38 -8.969 -3.952 -9.997 1.00 1.00 C ATOM 579 C GLY A 38 -8.527 -2.516 -9.708 1.00 1.00 C ATOM 580 O GLY A 38 -8.237 -2.171 -8.563 1.00 1.00 O ATOM 0 H GLY A 38 -8.725 -4.243 -7.937 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.315 -4.393 -10.749 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.976 -3.949 -10.413 1.00 1.00 H new ATOM 584 N GLY A 39 -8.490 -1.718 -10.764 1.00 1.00 N ATOM 585 CA GLY A 39 -7.710 -0.492 -10.749 1.00 1.00 C ATOM 586 C GLY A 39 -7.681 0.158 -12.134 1.00 1.00 C ATOM 587 O GLY A 39 -8.250 -0.375 -13.085 1.00 1.00 O ATOM 0 H GLY A 39 -8.988 -1.896 -11.636 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.135 0.204 -10.026 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.692 -0.708 -10.424 1.00 1.00 H new ATOM 591 N TYR A 40 -7.013 1.299 -12.204 1.00 1.00 N ATOM 592 CA TYR A 40 -6.832 1.985 -13.472 1.00 1.00 C ATOM 593 C TYR A 40 -5.650 2.954 -13.409 1.00 1.00 C ATOM 594 O TYR A 40 -4.994 3.072 -12.375 1.00 1.00 O ATOM 595 CB TYR A 40 -8.116 2.781 -13.707 1.00 1.00 C ATOM 596 CG TYR A 40 -8.577 3.591 -12.494 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.026 4.831 -12.242 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.544 3.083 -11.651 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.460 5.595 -11.100 1.00 1.00 C ATOM 600 CE2 TYR A 40 -9.979 3.845 -10.508 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.414 5.063 -10.290 1.00 1.00 C ATOM 602 OH TYR A 40 -9.824 5.783 -9.211 1.00 1.00 O ATOM 0 H TYR A 40 -6.590 1.767 -11.402 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.631 1.270 -14.269 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.962 3.459 -14.547 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.911 2.092 -13.994 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.269 5.229 -12.901 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.976 2.113 -11.848 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.038 6.567 -10.892 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -10.735 3.459 -9.841 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.368 5.457 -8.407 1.00 1.00 H new ATOM 612 N CYS A 41 -5.413 3.622 -14.527 1.00 1.00 N ATOM 613 CA CYS A 41 -4.269 4.511 -14.640 1.00 1.00 C ATOM 614 C CYS A 41 -4.752 5.947 -14.427 1.00 1.00 C ATOM 615 O CYS A 41 -5.430 6.510 -15.284 1.00 1.00 O ATOM 616 CB CYS A 41 -3.552 4.342 -15.982 1.00 1.00 C ATOM 617 SG CYS A 41 -2.530 2.832 -16.122 1.00 1.00 S ATOM 0 H CYS A 41 -5.994 3.566 -15.364 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.534 4.260 -13.876 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.297 4.334 -16.777 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.916 5.211 -16.150 1.00 1.00 H new ATOM 622 N TYR A 42 -4.384 6.496 -13.280 1.00 1.00 N ATOM 623 CA TYR A 42 -4.523 7.925 -13.057 1.00 1.00 C ATOM 624 C TYR A 42 -3.332 8.689 -13.640 1.00 1.00 C ATOM 625 O TYR A 42 -2.579 8.149 -14.448 1.00 1.00 O ATOM 626 CB TYR A 42 -4.542 8.116 -11.539 1.00 1.00 C ATOM 627 CG TYR A 42 -5.805 8.799 -11.012 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.395 9.813 -11.739 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.356 8.401 -9.811 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.585 10.456 -11.244 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.546 9.043 -9.316 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.101 10.039 -10.057 1.00 1.00 C ATOM 633 OH TYR A 42 -9.224 10.646 -9.590 1.00 1.00 O ATOM 0 H TYR A 42 -3.990 5.978 -12.495 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.426 8.302 -13.537 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.441 7.142 -11.060 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.674 8.706 -11.247 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -5.964 10.124 -12.679 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.894 7.608 -9.242 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.057 11.251 -11.803 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -7.988 8.741 -8.378 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.480 10.246 -8.733 1.00 1.00 H new ATOM 643 N ALA A 43 -3.199 9.935 -13.207 1.00 1.00 N ATOM 644 CA ALA A 43 -2.068 10.751 -13.613 1.00 1.00 C ATOM 645 C ALA A 43 -0.769 10.014 -13.283 1.00 1.00 C ATOM 646 O ALA A 43 -0.185 10.221 -12.221 1.00 1.00 O ATOM 647 CB ALA A 43 -2.153 12.117 -12.928 1.00 1.00 C ATOM 0 H ALA A 43 -3.856 10.398 -12.579 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.085 10.923 -14.689 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.305 12.730 -13.232 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.080 12.612 -13.217 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.135 11.983 -11.846 1.00 1.00 H new ATOM 653 N PHE A 44 -0.353 9.169 -14.215 1.00 1.00 N ATOM 654 CA PHE A 44 0.924 8.487 -14.090 1.00 1.00 C ATOM 655 C PHE A 44 1.046 7.796 -12.731 1.00 1.00 C ATOM 656 O PHE A 44 2.088 7.871 -12.083 1.00 1.00 O ATOM 657 CB PHE A 44 2.015 9.555 -14.206 1.00 1.00 C ATOM 658 CG PHE A 44 1.841 10.494 -15.400 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.017 10.025 -16.665 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.513 11.798 -15.198 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.856 10.898 -17.774 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.352 12.671 -16.307 1.00 1.00 C ATOM 663 CZ PHE A 44 1.528 12.202 -17.571 1.00 1.00 C ATOM 0 H PHE A 44 -0.878 8.941 -15.060 1.00 1.00 H new ATOM 0 HA PHE A 44 1.016 7.725 -14.864 1.00 1.00 H new ATOM 0 HB2 PHE A 44 2.029 10.147 -13.291 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.985 9.063 -14.282 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.279 8.990 -16.826 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.375 12.170 -14.194 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.994 10.526 -18.778 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.090 13.706 -16.146 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.407 12.866 -18.414 1.00 1.00 H new ATOM 673 N ALA A 45 -0.034 7.135 -12.340 1.00 1.00 N ATOM 674 CA ALA A 45 -0.015 6.312 -11.143 1.00 1.00 C ATOM 675 C ALA A 45 -1.196 5.338 -11.181 1.00 1.00 C ATOM 676 O ALA A 45 -2.240 5.645 -11.755 1.00 1.00 O ATOM 677 CB ALA A 45 -0.040 7.210 -9.905 1.00 1.00 C ATOM 0 H ALA A 45 -0.928 7.153 -12.831 1.00 1.00 H new ATOM 0 HA ALA A 45 0.900 5.721 -11.098 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.026 6.592 -9.007 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.833 7.862 -9.911 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.946 7.817 -9.914 1.00 1.00 H new ATOM 683 N CYS A 46 -0.991 4.186 -10.561 1.00 1.00 N ATOM 684 CA CYS A 46 -1.929 3.085 -10.698 1.00 1.00 C ATOM 685 C CYS A 46 -2.791 3.028 -9.436 1.00 1.00 C ATOM 686 O CYS A 46 -2.322 2.608 -8.378 1.00 1.00 O ATOM 687 CB CYS A 46 -1.211 1.759 -10.960 1.00 1.00 C ATOM 688 SG CYS A 46 -0.483 1.598 -12.632 1.00 1.00 S ATOM 0 H CYS A 46 -0.189 3.991 -9.962 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.568 3.254 -11.565 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.419 1.639 -10.221 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -1.917 0.943 -10.806 1.00 1.00 H new ATOM 693 N TRP A 47 -4.035 3.456 -9.586 1.00 1.00 N ATOM 694 CA TRP A 47 -4.963 3.472 -8.468 1.00 1.00 C ATOM 695 C TRP A 47 -5.785 2.183 -8.517 1.00 1.00 C ATOM 696 O TRP A 47 -6.471 1.917 -9.503 1.00 1.00 O ATOM 697 CB TRP A 47 -5.827 4.734 -8.490 1.00 1.00 C ATOM 698 CG TRP A 47 -6.872 4.792 -7.373 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.034 4.130 -7.297 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.801 5.586 -6.171 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.716 4.438 -6.137 1.00 1.00 N ATOM 702 CE2 TRP A 47 -7.942 5.352 -5.430 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.807 6.473 -5.723 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.196 5.965 -4.198 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.076 7.078 -4.489 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.220 6.853 -3.731 1.00 1.00 C ATOM 0 H TRP A 47 -4.423 3.795 -10.466 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.425 3.505 -7.521 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.179 5.607 -8.413 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.335 4.798 -9.452 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.392 3.442 -8.049 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.621 4.064 -5.851 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -4.907 6.672 -6.286 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.097 5.764 -3.637 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.343 7.768 -4.098 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.355 7.361 -2.787 1.00 1.00 H new ATOM 717 N CYS A 48 -5.689 1.415 -7.441 1.00 1.00 N ATOM 718 CA CYS A 48 -6.494 0.214 -7.304 1.00 1.00 C ATOM 719 C CYS A 48 -7.707 0.545 -6.432 1.00 1.00 C ATOM 720 O CYS A 48 -7.611 1.358 -5.513 1.00 1.00 O ATOM 721 CB CYS A 48 -5.682 -0.950 -6.734 1.00 1.00 C ATOM 722 SG CYS A 48 -4.567 -1.767 -7.933 1.00 1.00 S ATOM 0 H CYS A 48 -5.065 1.602 -6.656 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.833 -0.113 -8.287 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.087 -0.584 -5.897 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.371 -1.694 -6.334 1.00 1.00 H new ATOM 727 N THR A 49 -8.819 -0.101 -6.749 1.00 1.00 N ATOM 728 CA THR A 49 -10.104 0.315 -6.214 1.00 1.00 C ATOM 729 C THR A 49 -11.028 -0.893 -6.047 1.00 1.00 C ATOM 730 O THR A 49 -12.240 -0.782 -6.221 1.00 1.00 O ATOM 731 CB THR A 49 -10.675 1.391 -7.140 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.019 1.556 -6.693 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.819 0.906 -8.584 1.00 1.00 C ATOM 0 H THR A 49 -8.857 -0.910 -7.370 1.00 1.00 H new ATOM 0 HA THR A 49 -9.997 0.745 -5.218 1.00 1.00 H new ATOM 0 HB THR A 49 -10.030 2.270 -7.116 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.522 0.731 -6.858 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.228 1.708 -9.198 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.842 0.616 -8.970 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.490 0.048 -8.614 1.00 1.00 H new ATOM 741 N HIS A 50 -10.419 -2.020 -5.709 1.00 1.00 N ATOM 742 CA HIS A 50 -11.180 -3.204 -5.347 1.00 1.00 C ATOM 743 C HIS A 50 -10.333 -4.104 -4.445 1.00 1.00 C ATOM 744 O HIS A 50 -10.437 -5.328 -4.511 1.00 1.00 O ATOM 745 CB HIS A 50 -11.688 -3.926 -6.598 1.00 1.00 C ATOM 746 CG HIS A 50 -12.811 -3.208 -7.307 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.083 -3.092 -6.774 1.00 1.00 N ATOM 748 CD2 HIS A 50 -12.838 -2.569 -8.512 1.00 1.00 C ATOM 749 CE1 HIS A 50 -14.834 -2.414 -7.629 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.061 -2.090 -8.706 1.00 1.00 N ATOM 0 H HIS A 50 -9.406 -2.138 -5.678 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.065 -2.913 -4.781 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -10.858 -4.056 -7.292 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -12.028 -4.923 -6.317 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -12.006 -2.470 -9.193 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -15.876 -2.162 -7.497 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -14.371 -1.566 -9.525 1.00 1.00 H new ATOM 758 N LEU A 51 -9.516 -3.463 -3.624 1.00 1.00 N ATOM 759 CA LEU A 51 -8.764 -4.179 -2.608 1.00 1.00 C ATOM 760 C LEU A 51 -9.721 -4.667 -1.519 1.00 1.00 C ATOM 761 O LEU A 51 -10.916 -4.376 -1.563 1.00 1.00 O ATOM 762 CB LEU A 51 -7.620 -3.312 -2.078 1.00 1.00 C ATOM 763 CG LEU A 51 -6.685 -2.716 -3.132 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.454 -3.701 -4.279 1.00 1.00 C ATOM 765 CD2 LEU A 51 -7.208 -1.368 -3.630 1.00 1.00 C ATOM 0 H LEU A 51 -9.358 -2.455 -3.641 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.292 -5.063 -3.036 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.049 -2.495 -1.498 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.024 -3.912 -1.391 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.717 -2.532 -2.665 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.786 -3.253 -5.015 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.004 -4.614 -3.889 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -7.407 -3.939 -4.752 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.525 -0.967 -4.378 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -8.194 -1.502 -4.074 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.278 -0.673 -2.793 1.00 1.00 H new ATOM 777 N TYR A 52 -9.161 -5.399 -0.567 1.00 1.00 N ATOM 778 CA TYR A 52 -9.866 -5.681 0.671 1.00 1.00 C ATOM 779 C TYR A 52 -9.246 -4.916 1.842 1.00 1.00 C ATOM 780 O TYR A 52 -8.433 -4.017 1.639 1.00 1.00 O ATOM 781 CB TYR A 52 -9.703 -7.183 0.916 1.00 1.00 C ATOM 782 CG TYR A 52 -8.612 -7.836 0.066 1.00 1.00 C ATOM 783 CD1 TYR A 52 -8.850 -8.122 -1.263 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.388 -8.140 0.629 1.00 1.00 C ATOM 785 CE1 TYR A 52 -7.823 -8.738 -2.062 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.361 -8.755 -0.171 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.628 -9.024 -1.477 1.00 1.00 C ATOM 788 OH TYR A 52 -5.659 -9.605 -2.233 1.00 1.00 O ATOM 0 H TYR A 52 -8.227 -5.805 -0.628 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.911 -5.380 0.595 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -9.475 -7.347 1.969 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.652 -7.679 0.714 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -9.807 -7.884 -1.704 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -7.201 -7.916 1.669 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -7.997 -8.968 -3.103 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -5.399 -8.997 0.257 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.929 -8.967 -2.375 1.00 1.00 H new ATOM 798 N GLU A 53 -9.655 -5.300 3.042 1.00 1.00 N ATOM 799 CA GLU A 53 -9.117 -4.693 4.248 1.00 1.00 C ATOM 800 C GLU A 53 -7.588 -4.683 4.198 1.00 1.00 C ATOM 801 O GLU A 53 -6.951 -3.796 4.766 1.00 1.00 O ATOM 802 CB GLU A 53 -9.621 -5.415 5.498 1.00 1.00 C ATOM 803 CG GLU A 53 -11.099 -5.109 5.750 1.00 1.00 C ATOM 804 CD GLU A 53 -11.636 -5.929 6.925 1.00 1.00 C ATOM 805 OE1 GLU A 53 -12.009 -7.096 6.679 1.00 1.00 O ATOM 806 OE2 GLU A 53 -11.662 -5.369 8.043 1.00 1.00 O ATOM 0 H GLU A 53 -10.354 -6.025 3.205 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.467 -3.662 4.300 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.483 -6.490 5.382 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -9.030 -5.110 6.362 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -11.224 -4.046 5.956 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -11.678 -5.330 4.853 1.00 1.00 H new ATOM 813 N GLN A 54 -7.043 -5.679 3.516 1.00 1.00 N ATOM 814 CA GLN A 54 -5.600 -5.811 3.408 1.00 1.00 C ATOM 815 C GLN A 54 -5.099 -5.133 2.132 1.00 1.00 C ATOM 816 O GLN A 54 -4.149 -5.601 1.507 1.00 1.00 O ATOM 817 CB GLN A 54 -5.180 -7.282 3.449 1.00 1.00 C ATOM 818 CG GLN A 54 -4.211 -7.542 4.605 1.00 1.00 C ATOM 819 CD GLN A 54 -3.833 -9.024 4.679 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.833 -9.463 4.137 1.00 1.00 O ATOM 821 NE2 GLN A 54 -4.687 -9.765 5.380 1.00 1.00 N ATOM 0 H GLN A 54 -7.575 -6.403 3.032 1.00 1.00 H new ATOM 0 HA GLN A 54 -5.144 -5.313 4.263 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -6.062 -7.913 3.560 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.708 -7.556 2.505 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.312 -6.940 4.474 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.668 -7.232 5.545 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.506 -9.332 5.808 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -4.523 -10.766 5.489 1.00 1.00 H new ATOM 830 N ALA A 55 -5.760 -4.039 1.781 1.00 1.00 N ATOM 831 CA ALA A 55 -5.135 -3.018 0.958 1.00 1.00 C ATOM 832 C ALA A 55 -3.845 -2.546 1.631 1.00 1.00 C ATOM 833 O ALA A 55 -3.869 -2.068 2.763 1.00 1.00 O ATOM 834 CB ALA A 55 -6.124 -1.873 0.726 1.00 1.00 C ATOM 0 H ALA A 55 -6.723 -3.838 2.052 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.869 -3.422 -0.019 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -5.655 -1.107 0.109 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -7.010 -2.255 0.220 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.412 -1.441 1.684 1.00 1.00 H new ATOM 840 N ILE A 56 -2.748 -2.697 0.903 1.00 1.00 N ATOM 841 CA ILE A 56 -1.560 -1.901 1.166 1.00 1.00 C ATOM 842 C ILE A 56 -1.336 -0.930 0.006 1.00 1.00 C ATOM 843 O ILE A 56 -1.436 -1.314 -1.159 1.00 1.00 O ATOM 844 CB ILE A 56 -0.360 -2.807 1.451 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.734 -3.921 2.430 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.838 -1.990 1.942 1.00 1.00 C ATOM 847 CD1 ILE A 56 -0.921 -5.252 1.700 1.00 1.00 C ATOM 0 H ILE A 56 -2.657 -3.358 0.132 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.695 -1.299 2.065 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.063 -3.286 0.518 1.00 1.00 H new ATOM 0 HG12 ILE A 56 0.045 -4.023 3.186 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -1.653 -3.657 2.953 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.678 -2.657 2.137 1.00 1.00 H new ATOM 0 HG22 ILE A 56 1.121 -1.264 1.179 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.570 -1.466 2.859 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.186 -6.027 2.419 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -1.717 -5.154 0.962 1.00 1.00 H new ATOM 0 HD13 ILE A 56 0.007 -5.525 1.198 1.00 1.00 H new ATOM 859 N VAL A 57 -1.037 0.310 0.364 1.00 1.00 N ATOM 860 CA VAL A 57 -1.088 1.399 -0.597 1.00 1.00 C ATOM 861 C VAL A 57 0.112 2.324 -0.378 1.00 1.00 C ATOM 862 O VAL A 57 0.587 2.475 0.747 1.00 1.00 O ATOM 863 CB VAL A 57 -2.430 2.126 -0.494 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.124 1.809 0.833 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.251 3.635 -0.673 1.00 1.00 C ATOM 0 H VAL A 57 -0.759 0.585 1.306 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.020 1.014 -1.614 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.069 1.767 -1.301 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.076 2.338 0.881 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.301 0.736 0.904 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.490 2.127 1.660 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.220 4.128 -0.595 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.586 4.017 0.102 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.819 3.836 -1.653 1.00 1.00 H new ATOM 875 N TRP A 58 0.568 2.920 -1.471 1.00 1.00 N ATOM 876 CA TRP A 58 1.752 3.759 -1.426 1.00 1.00 C ATOM 877 C TRP A 58 1.370 5.080 -0.754 1.00 1.00 C ATOM 878 O TRP A 58 0.205 5.473 -0.769 1.00 1.00 O ATOM 879 CB TRP A 58 2.343 3.949 -2.824 1.00 1.00 C ATOM 880 CG TRP A 58 3.679 4.694 -2.841 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.908 4.186 -2.679 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.871 6.111 -3.036 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.874 5.168 -2.756 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.224 6.376 -2.980 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.932 7.135 -3.254 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.760 7.660 -3.132 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.485 8.412 -3.403 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.844 8.696 -3.350 1.00 1.00 C ATOM 0 H TRP A 58 0.138 2.838 -2.392 1.00 1.00 H new ATOM 0 HA TRP A 58 2.539 3.284 -0.840 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.479 2.971 -3.285 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.627 4.495 -3.438 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.116 3.140 -2.510 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.881 5.032 -2.665 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.869 6.951 -3.303 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.823 7.842 -3.084 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.807 9.236 -3.571 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.192 9.711 -3.476 1.00 1.00 H new ATOM 899 N PRO A 59 2.400 5.744 -0.165 1.00 1.00 N ATOM 900 CA PRO A 59 3.599 5.041 0.258 1.00 1.00 C ATOM 901 C PRO A 59 3.342 4.238 1.536 1.00 1.00 C ATOM 902 O PRO A 59 2.223 4.218 2.046 1.00 1.00 O ATOM 903 CB PRO A 59 4.648 6.126 0.441 1.00 1.00 C ATOM 904 CG PRO A 59 3.880 7.431 0.565 1.00 1.00 C ATOM 905 CD PRO A 59 2.451 7.176 0.112 1.00 1.00 C ATOM 0 HA PRO A 59 3.932 4.302 -0.471 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.250 5.941 1.331 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.332 6.155 -0.407 1.00 1.00 H new ATOM 0 HG2 PRO A 59 3.896 7.787 1.595 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.342 8.206 -0.047 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.735 7.456 0.885 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.207 7.760 -0.775 1.00 1.00 H new ATOM 913 N LEU A 60 4.397 3.595 2.015 1.00 1.00 N ATOM 914 CA LEU A 60 4.320 2.861 3.266 1.00 1.00 C ATOM 915 C LEU A 60 4.754 3.773 4.415 1.00 1.00 C ATOM 916 O LEU A 60 5.483 4.740 4.203 1.00 1.00 O ATOM 917 CB LEU A 60 5.125 1.562 3.176 1.00 1.00 C ATOM 918 CG LEU A 60 5.139 0.876 1.807 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.506 1.021 1.136 1.00 1.00 C ATOM 920 CD2 LEU A 60 4.710 -0.587 1.924 1.00 1.00 C ATOM 0 H LEU A 60 5.309 3.567 1.559 1.00 1.00 H new ATOM 0 HA LEU A 60 3.292 2.560 3.467 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.154 1.775 3.465 1.00 1.00 H new ATOM 0 HB3 LEU A 60 4.727 0.860 3.909 1.00 1.00 H new ATOM 0 HG LEU A 60 4.412 1.375 1.166 1.00 1.00 H new ATOM 0 HD11 LEU A 60 6.489 0.525 0.165 1.00 1.00 H new ATOM 0 HD12 LEU A 60 6.734 2.078 1.000 1.00 1.00 H new ATOM 0 HD13 LEU A 60 7.270 0.563 1.764 1.00 1.00 H new ATOM 0 HD21 LEU A 60 4.728 -1.052 0.938 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.395 -1.115 2.587 1.00 1.00 H new ATOM 0 HD23 LEU A 60 3.700 -0.639 2.331 1.00 1.00 H new ATOM 932 N PRO A 61 4.273 3.424 5.639 1.00 1.00 N ATOM 933 CA PRO A 61 4.449 4.295 6.788 1.00 1.00 C ATOM 934 C PRO A 61 5.890 4.243 7.301 1.00 1.00 C ATOM 935 O PRO A 61 6.515 5.280 7.512 1.00 1.00 O ATOM 936 CB PRO A 61 3.437 3.806 7.811 1.00 1.00 C ATOM 937 CG PRO A 61 3.057 2.398 7.381 1.00 1.00 C ATOM 938 CD PRO A 61 3.552 2.196 5.959 1.00 1.00 C ATOM 0 HA PRO A 61 4.279 5.345 6.549 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.864 3.806 8.814 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.562 4.456 7.837 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.503 1.661 8.049 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.977 2.262 7.432 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.203 1.325 5.886 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.723 2.033 5.271 1.00 1.00 H new ATOM 946 N ASN A 62 6.374 3.023 7.485 1.00 1.00 N ATOM 947 CA ASN A 62 7.556 2.803 8.302 1.00 1.00 C ATOM 948 C ASN A 62 8.758 2.541 7.392 1.00 1.00 C ATOM 949 O ASN A 62 9.851 2.243 7.873 1.00 1.00 O ATOM 950 CB ASN A 62 7.377 1.586 9.212 1.00 1.00 C ATOM 951 CG ASN A 62 7.125 0.319 8.390 1.00 1.00 C ATOM 952 OD1 ASN A 62 6.502 0.343 7.342 1.00 1.00 O ATOM 953 ND2 ASN A 62 7.644 -0.783 8.924 1.00 1.00 N ATOM 0 H ASN A 62 5.970 2.177 7.083 1.00 1.00 H new ATOM 0 HA ASN A 62 7.714 3.691 8.914 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.267 1.454 9.827 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.542 1.755 9.892 1.00 1.00 H new ATOM 0 HD21 ASN A 62 7.531 -1.680 8.452 1.00 1.00 H new ATOM 0 HD22 ASN A 62 8.155 -0.731 9.805 1.00 1.00 H new ATOM 960 N LYS A 63 8.516 2.662 6.096 1.00 1.00 N ATOM 961 CA LYS A 63 9.589 2.559 5.121 1.00 1.00 C ATOM 962 C LYS A 63 9.075 3.013 3.753 1.00 1.00 C ATOM 963 O LYS A 63 9.010 2.218 2.817 1.00 1.00 O ATOM 964 CB LYS A 63 10.177 1.147 5.120 1.00 1.00 C ATOM 965 CG LYS A 63 9.084 0.096 4.915 1.00 1.00 C ATOM 966 CD LYS A 63 9.654 -1.172 4.276 1.00 1.00 C ATOM 967 CE LYS A 63 9.826 -0.993 2.766 1.00 1.00 C ATOM 968 NZ LYS A 63 10.589 -2.127 2.196 1.00 1.00 N ATOM 0 H LYS A 63 7.592 2.831 5.697 1.00 1.00 H new ATOM 0 HA LYS A 63 10.412 3.222 5.388 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.922 1.060 4.329 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.691 0.963 6.064 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.627 -0.150 5.873 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.297 0.504 4.281 1.00 1.00 H new ATOM 0 HD2 LYS A 63 10.616 -1.412 4.730 1.00 1.00 H new ATOM 0 HD3 LYS A 63 8.990 -2.013 4.473 1.00 1.00 H new ATOM 0 HE2 LYS A 63 8.849 -0.927 2.287 1.00 1.00 H new ATOM 0 HE3 LYS A 63 10.346 -0.057 2.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 11.203 -1.782 1.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 11.172 -2.562 2.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 9.928 -2.835 1.817 1.00 1.00 H new ATOM 982 N ARG A 64 8.723 4.288 3.682 1.00 1.00 N ATOM 983 CA ARG A 64 8.504 4.933 2.399 1.00 1.00 C ATOM 984 C ARG A 64 9.805 4.968 1.594 1.00 1.00 C ATOM 985 O ARG A 64 10.886 4.770 2.144 1.00 1.00 O ATOM 986 CB ARG A 64 7.987 6.362 2.582 1.00 1.00 C ATOM 987 CG ARG A 64 9.012 7.226 3.320 1.00 1.00 C ATOM 988 CD ARG A 64 8.637 8.707 3.243 1.00 1.00 C ATOM 989 NE ARG A 64 9.624 9.518 3.991 1.00 1.00 N ATOM 990 CZ ARG A 64 10.748 10.013 3.455 1.00 1.00 C ATOM 991 NH1 ARG A 64 11.140 9.617 2.236 1.00 1.00 N ATOM 992 NH2 ARG A 64 11.481 10.902 4.139 1.00 1.00 N ATOM 0 H ARG A 64 8.584 4.892 4.492 1.00 1.00 H new ATOM 0 HA ARG A 64 7.754 4.354 1.860 1.00 1.00 H new ATOM 0 HB2 ARG A 64 7.770 6.801 1.608 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.051 6.345 3.140 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.071 6.916 4.363 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.000 7.074 2.886 1.00 1.00 H new ATOM 0 HD2 ARG A 64 8.604 9.029 2.202 1.00 1.00 H new ATOM 0 HD3 ARG A 64 7.640 8.860 3.656 1.00 1.00 H new ATOM 0 HE ARG A 64 9.437 9.712 4.975 1.00 1.00 H new ATOM 0 HH11 ARG A 64 10.583 8.939 1.716 1.00 1.00 H new ATOM 0 HH12 ARG A 64 11.996 9.994 1.828 1.00 1.00 H new ATOM 0 HH21 ARG A 64 11.183 11.202 5.067 1.00 1.00 H new ATOM 0 HH22 ARG A 64 12.337 11.279 3.731 1.00 1.00 H new ATOM 1006 N CYS A 65 9.656 5.221 0.301 1.00 1.00 N ATOM 1007 CA CYS A 65 10.807 5.464 -0.551 1.00 1.00 C ATOM 1008 C CYS A 65 11.622 6.609 0.057 1.00 1.00 C ATOM 1009 O CYS A 65 11.057 7.602 0.513 1.00 1.00 O ATOM 1010 CB CYS A 65 10.392 5.763 -1.993 1.00 1.00 C ATOM 1011 SG CYS A 65 11.730 5.590 -3.229 1.00 1.00 S ATOM 0 H CYS A 65 8.756 5.263 -0.176 1.00 1.00 H new ATOM 0 HA CYS A 65 11.422 4.566 -0.599 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.575 5.095 -2.267 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.002 6.780 -2.040 1.00 1.00 H new ATOM 1016 N SER A 66 12.934 6.430 0.044 1.00 1.00 N ATOM 1017 CA SER A 66 13.826 7.388 0.674 1.00 1.00 C ATOM 1018 C SER A 66 13.709 8.748 -0.019 1.00 1.00 C ATOM 1019 O SER A 66 13.303 9.731 0.600 1.00 1.00 O ATOM 1020 CB SER A 66 15.274 6.899 0.639 1.00 1.00 C ATOM 1021 OG SER A 66 15.767 6.783 -0.693 1.00 1.00 O ATOM 0 H SER A 66 13.401 5.636 -0.393 1.00 1.00 H new ATOM 0 HA SER A 66 13.531 7.492 1.718 1.00 1.00 H new ATOM 0 HB2 SER A 66 15.904 7.590 1.199 1.00 1.00 H new ATOM 0 HB3 SER A 66 15.342 5.931 1.136 1.00 1.00 H new ATOM 0 HG SER A 66 15.586 7.613 -1.182 1.00 1.00 H new HETATM 1027 N NH2 A 67 14.070 8.759 -1.294 1.00 1.00 N TER 1030 NH2 A 67