USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 604 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 20 ASN : amide:sc= 0.389 K(o=0.77,f=-2.1) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.385 K(o=0.77,f=-1.1) USER MOD Set 2.1: A 8 GLN : amide:sc= 1.01 K(o=3.1,f=1.6) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -172:sc= 2.05 (180deg=1.63) USER MOD Set 3.1: A 1 ASN : amide:sc= 2.25 K(o=5,f=-5.3!) USER MOD Set 3.2: A 2 SER OG : rot 46:sc= 1.95 USER MOD Set 3.3: A 48 ASN : amide:sc= 0.851 X(o=5,f=4.6) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 2.37 (180deg=2.37) USER MOD Single : A 3 SER OG : rot -167:sc= 1.1 USER MOD Single : A 4 LYS NZ :NH3+ -111:sc= 0.254! (180deg=-3.93!) USER MOD Single : A 5 CYS SG : rot -41:sc= 0.383 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 50:sc= 0.575 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 14 CYS SG : rot 86:sc= 0.00155 USER MOD Single : A 16 SER OG : rot 180:sc= 0.143 USER MOD Single : A 17 CYS SG : rot -149:sc= 0.703 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 178:sc= -0.401 (180deg=-0.406) USER MOD Single : A 47 TYR OH : rot -176:sc= 1.25 USER MOD Single : A 53 GLN : amide:sc= 0.75 K(o=0.75,f=-0.89) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.58 K(o=1.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.065 -4.868 8.707 1.00 4.05 N ATOM 2 CA ASN A 1 -14.586 -3.807 7.807 1.00 2.98 C ATOM 3 C ASN A 1 -13.770 -2.807 8.614 1.00 1.85 C ATOM 4 O ASN A 1 -13.821 -2.875 9.838 1.00 2.95 O ATOM 5 CB ASN A 1 -15.742 -3.140 7.048 1.00 3.02 C ATOM 6 CG ASN A 1 -15.550 -3.305 5.546 1.00 3.92 C ATOM 7 OD1 ASN A 1 -15.079 -2.390 4.883 1.00 5.05 O ATOM 8 ND2 ASN A 1 -15.862 -4.480 5.018 1.00 3.99 N ATOM 0 H1 ASN A 1 -15.624 -5.557 8.165 1.00 4.05 H new ATOM 0 H2 ASN A 1 -14.251 -5.348 9.142 1.00 4.05 H new ATOM 0 H3 ASN A 1 -15.659 -4.450 9.452 1.00 4.05 H new ATOM 0 HA ASN A 1 -13.945 -4.245 7.042 1.00 2.98 H new ATOM 0 HB2 ASN A 1 -16.690 -3.584 7.352 1.00 3.02 H new ATOM 0 HB3 ASN A 1 -15.790 -2.081 7.302 1.00 3.02 H new ATOM 0 HD21 ASN A 1 -15.712 -4.648 4.023 1.00 3.99 H new ATOM 0 HD22 ASN A 1 -16.253 -5.216 5.606 1.00 3.99 H new ATOM 17 N SER A 2 -13.025 -1.910 7.953 1.00 1.50 N ATOM 18 CA SER A 2 -11.988 -1.092 8.581 1.00 1.04 C ATOM 19 C SER A 2 -11.003 -1.971 9.350 1.00 1.07 C ATOM 20 O SER A 2 -11.100 -2.125 10.564 1.00 1.44 O ATOM 21 CB SER A 2 -12.585 -0.016 9.481 1.00 1.52 C ATOM 22 OG SER A 2 -12.935 1.124 8.713 1.00 2.33 O ATOM 0 H SER A 2 -13.130 -1.733 6.954 1.00 1.50 H new ATOM 0 HA SER A 2 -11.443 -0.580 7.788 1.00 1.04 H new ATOM 0 HB2 SER A 2 -13.466 -0.405 9.991 1.00 1.52 H new ATOM 0 HB3 SER A 2 -11.868 0.262 10.253 1.00 1.52 H new ATOM 0 HG SER A 2 -13.415 0.841 7.907 1.00 2.33 H new ATOM 28 N SER A 3 -10.039 -2.519 8.621 1.00 0.97 N ATOM 29 CA SER A 3 -9.038 -3.444 9.137 1.00 1.06 C ATOM 30 C SER A 3 -7.664 -3.114 8.563 1.00 0.84 C ATOM 31 O SER A 3 -7.525 -2.177 7.778 1.00 0.84 O ATOM 32 CB SER A 3 -9.454 -4.885 8.834 1.00 1.37 C ATOM 33 OG SER A 3 -8.578 -5.789 9.482 1.00 3.11 O ATOM 0 H SER A 3 -9.929 -2.326 7.625 1.00 0.97 H new ATOM 0 HA SER A 3 -8.971 -3.338 10.220 1.00 1.06 H new ATOM 0 HB2 SER A 3 -10.477 -5.055 9.169 1.00 1.37 H new ATOM 0 HB3 SER A 3 -9.438 -5.058 7.758 1.00 1.37 H new ATOM 0 HG SER A 3 -8.719 -6.692 9.128 1.00 3.11 H new ATOM 39 N LYS A 4 -6.657 -3.878 8.988 1.00 0.74 N ATOM 40 CA LYS A 4 -5.288 -3.800 8.505 1.00 0.71 C ATOM 41 C LYS A 4 -5.079 -4.805 7.373 1.00 0.70 C ATOM 42 O LYS A 4 -5.327 -5.998 7.559 1.00 0.94 O ATOM 43 CB LYS A 4 -4.310 -4.126 9.641 1.00 0.84 C ATOM 44 CG LYS A 4 -4.215 -3.003 10.681 1.00 1.40 C ATOM 45 CD LYS A 4 -3.077 -3.332 11.660 1.00 1.88 C ATOM 46 CE LYS A 4 -2.601 -2.092 12.434 1.00 2.64 C ATOM 47 NZ LYS A 4 -1.207 -2.239 12.904 1.00 3.15 N ATOM 0 H LYS A 4 -6.783 -4.593 9.705 1.00 0.74 H new ATOM 0 HA LYS A 4 -5.105 -2.789 8.142 1.00 0.71 H new ATOM 0 HB2 LYS A 4 -4.625 -5.046 10.133 1.00 0.84 H new ATOM 0 HB3 LYS A 4 -3.321 -4.312 9.222 1.00 0.84 H new ATOM 0 HG2 LYS A 4 -4.027 -2.048 10.190 1.00 1.40 H new ATOM 0 HG3 LYS A 4 -5.158 -2.905 11.218 1.00 1.40 H new ATOM 0 HD2 LYS A 4 -3.415 -4.091 12.365 1.00 1.88 H new ATOM 0 HD3 LYS A 4 -2.239 -3.759 11.110 1.00 1.88 H new ATOM 0 HE2 LYS A 4 -2.678 -1.213 11.794 1.00 2.64 H new ATOM 0 HE3 LYS A 4 -3.257 -1.923 13.288 1.00 2.64 H new ATOM 0 HZ1 LYS A 4 -1.197 -2.325 13.940 1.00 3.15 H new ATOM 0 HZ2 LYS A 4 -0.786 -3.091 12.482 1.00 3.15 H new ATOM 0 HZ3 LYS A 4 -0.655 -1.404 12.621 1.00 3.15 H new ATOM 61 N CYS A 5 -4.572 -4.348 6.226 1.00 0.65 N ATOM 62 CA CYS A 5 -4.023 -5.224 5.196 1.00 0.86 C ATOM 63 C CYS A 5 -2.520 -5.001 5.181 1.00 0.62 C ATOM 64 O CYS A 5 -2.068 -3.853 5.197 1.00 0.55 O ATOM 65 CB CYS A 5 -4.638 -4.936 3.826 1.00 1.18 C ATOM 66 SG CYS A 5 -3.831 -5.976 2.587 1.00 2.20 S ATOM 0 H CYS A 5 -4.532 -3.357 5.987 1.00 0.65 H new ATOM 0 HA CYS A 5 -4.258 -6.265 5.419 1.00 0.86 H new ATOM 0 HB2 CYS A 5 -5.709 -5.136 3.845 1.00 1.18 H new ATOM 0 HB3 CYS A 5 -4.515 -3.883 3.572 1.00 1.18 H new ATOM 0 HG CYS A 5 -2.552 -6.010 2.816 1.00 2.20 H new ATOM 72 N TYR A 6 -1.745 -6.086 5.171 1.00 0.65 N ATOM 73 CA TYR A 6 -0.303 -6.016 5.083 1.00 0.57 C ATOM 74 C TYR A 6 0.041 -6.119 3.606 1.00 0.47 C ATOM 75 O TYR A 6 -0.692 -6.726 2.826 1.00 0.77 O ATOM 76 CB TYR A 6 0.347 -7.147 5.890 1.00 0.95 C ATOM 77 CG TYR A 6 0.588 -6.858 7.361 1.00 0.90 C ATOM 78 CD1 TYR A 6 -0.340 -6.124 8.125 1.00 2.37 C ATOM 79 CD2 TYR A 6 1.738 -7.377 7.985 1.00 1.88 C ATOM 80 CE1 TYR A 6 -0.164 -5.993 9.511 1.00 3.02 C ATOM 81 CE2 TYR A 6 1.946 -7.188 9.361 1.00 2.03 C ATOM 82 CZ TYR A 6 0.979 -6.519 10.131 1.00 2.22 C ATOM 83 OH TYR A 6 1.119 -6.437 11.485 1.00 3.04 O ATOM 0 H TYR A 6 -2.110 -7.037 5.224 1.00 0.65 H new ATOM 0 HA TYR A 6 0.076 -5.084 5.503 1.00 0.57 H new ATOM 0 HB2 TYR A 6 -0.284 -8.032 5.812 1.00 0.95 H new ATOM 0 HB3 TYR A 6 1.302 -7.395 5.427 1.00 0.95 H new ATOM 0 HD1 TYR A 6 -1.189 -5.661 7.643 1.00 2.37 H new ATOM 0 HD2 TYR A 6 2.465 -7.924 7.402 1.00 1.88 H new ATOM 0 HE1 TYR A 6 -0.911 -5.485 10.103 1.00 3.02 H new ATOM 0 HE2 TYR A 6 2.848 -7.556 9.827 1.00 2.03 H new ATOM 0 HH TYR A 6 1.966 -6.850 11.752 1.00 3.04 H new ATOM 93 N ILE A 7 1.142 -5.494 3.219 1.00 0.51 N ATOM 94 CA ILE A 7 1.672 -5.523 1.870 1.00 0.43 C ATOM 95 C ILE A 7 3.195 -5.584 2.017 1.00 0.45 C ATOM 96 O ILE A 7 3.734 -5.156 3.040 1.00 0.49 O ATOM 97 CB ILE A 7 1.179 -4.297 1.056 1.00 0.39 C ATOM 98 CG1 ILE A 7 -0.254 -3.861 1.428 1.00 0.57 C ATOM 99 CG2 ILE A 7 1.279 -4.564 -0.454 1.00 0.33 C ATOM 100 CD1 ILE A 7 -0.783 -2.697 0.588 1.00 0.96 C ATOM 0 H ILE A 7 1.708 -4.935 3.858 1.00 0.51 H new ATOM 0 HA ILE A 7 1.322 -6.388 1.306 1.00 0.43 H new ATOM 0 HB ILE A 7 1.840 -3.471 1.319 1.00 0.39 H new ATOM 0 HG12 ILE A 7 -0.924 -4.713 1.314 1.00 0.57 H new ATOM 0 HG13 ILE A 7 -0.276 -3.577 2.480 1.00 0.57 H new ATOM 0 HG21 ILE A 7 0.928 -3.690 -1.002 1.00 0.33 H new ATOM 0 HG22 ILE A 7 2.317 -4.766 -0.720 1.00 0.33 H new ATOM 0 HG23 ILE A 7 0.664 -5.426 -0.713 1.00 0.33 H new ATOM 0 HD11 ILE A 7 -1.795 -2.448 0.908 1.00 0.96 H new ATOM 0 HD12 ILE A 7 -0.137 -1.829 0.720 1.00 0.96 H new ATOM 0 HD13 ILE A 7 -0.795 -2.983 -0.464 1.00 0.96 H new ATOM 112 N GLN A 8 3.897 -6.125 1.023 1.00 0.57 N ATOM 113 CA GLN A 8 5.333 -5.959 0.871 1.00 0.75 C ATOM 114 C GLN A 8 5.578 -5.473 -0.549 1.00 0.75 C ATOM 115 O GLN A 8 4.795 -5.796 -1.444 1.00 0.57 O ATOM 116 CB GLN A 8 6.086 -7.266 1.139 1.00 1.04 C ATOM 117 CG GLN A 8 5.775 -7.815 2.533 1.00 1.50 C ATOM 118 CD GLN A 8 6.811 -8.842 2.978 1.00 1.30 C ATOM 119 OE1 GLN A 8 6.515 -10.024 3.095 1.00 1.32 O ATOM 120 NE2 GLN A 8 8.043 -8.405 3.238 1.00 2.44 N ATOM 0 H GLN A 8 3.474 -6.698 0.293 1.00 0.57 H new ATOM 0 HA GLN A 8 5.706 -5.238 1.599 1.00 0.75 H new ATOM 0 HB2 GLN A 8 5.813 -8.006 0.386 1.00 1.04 H new ATOM 0 HB3 GLN A 8 7.158 -7.096 1.045 1.00 1.04 H new ATOM 0 HG2 GLN A 8 5.745 -6.994 3.249 1.00 1.50 H new ATOM 0 HG3 GLN A 8 4.786 -8.273 2.532 1.00 1.50 H new ATOM 0 HE21 GLN A 8 8.266 -7.415 3.133 1.00 2.44 H new ATOM 0 HE22 GLN A 8 8.763 -9.060 3.542 1.00 2.44 H new ATOM 129 N VAL A 9 6.637 -4.679 -0.734 1.00 1.03 N ATOM 130 CA VAL A 9 6.954 -4.075 -2.023 1.00 1.23 C ATOM 131 C VAL A 9 8.419 -4.326 -2.396 1.00 1.51 C ATOM 132 O VAL A 9 9.326 -4.015 -1.618 1.00 1.91 O ATOM 133 CB VAL A 9 6.579 -2.581 -2.025 1.00 1.29 C ATOM 134 CG1 VAL A 9 5.063 -2.390 -1.886 1.00 2.59 C ATOM 135 CG2 VAL A 9 7.282 -1.752 -0.943 1.00 2.24 C ATOM 0 H VAL A 9 7.295 -4.440 0.007 1.00 1.03 H new ATOM 0 HA VAL A 9 6.353 -4.550 -2.798 1.00 1.23 H new ATOM 0 HB VAL A 9 6.926 -2.212 -2.990 1.00 1.29 H new ATOM 0 HG11 VAL A 9 4.828 -1.326 -1.890 1.00 2.59 H new ATOM 0 HG12 VAL A 9 4.557 -2.877 -2.720 1.00 2.59 H new ATOM 0 HG13 VAL A 9 4.725 -2.832 -0.949 1.00 2.59 H new ATOM 0 HG21 VAL A 9 6.962 -0.713 -1.015 1.00 2.24 H new ATOM 0 HG22 VAL A 9 7.024 -2.144 0.041 1.00 2.24 H new ATOM 0 HG23 VAL A 9 8.361 -1.810 -1.084 1.00 2.24 H new ATOM 145 N THR A 10 8.663 -4.891 -3.585 1.00 1.54 N ATOM 146 CA THR A 10 10.005 -5.181 -4.074 1.00 1.93 C ATOM 147 C THR A 10 10.697 -3.890 -4.510 1.00 1.98 C ATOM 148 O THR A 10 10.876 -3.634 -5.700 1.00 2.24 O ATOM 149 CB THR A 10 9.938 -6.212 -5.208 1.00 2.41 C ATOM 150 OG1 THR A 10 9.188 -5.676 -6.276 1.00 3.33 O ATOM 151 CG2 THR A 10 9.313 -7.530 -4.737 1.00 2.78 C ATOM 0 H THR A 10 7.925 -5.160 -4.235 1.00 1.54 H new ATOM 0 HA THR A 10 10.601 -5.614 -3.271 1.00 1.93 H new ATOM 0 HB THR A 10 10.954 -6.430 -5.536 1.00 2.41 H new ATOM 0 HG1 THR A 10 9.519 -4.779 -6.490 1.00 3.33 H new ATOM 0 HG21 THR A 10 9.282 -8.235 -5.567 1.00 2.78 H new ATOM 0 HG22 THR A 10 9.912 -7.948 -3.928 1.00 2.78 H new ATOM 0 HG23 THR A 10 8.300 -7.345 -4.380 1.00 2.78 H new ATOM 159 N GLY A 11 11.083 -3.098 -3.514 1.00 1.84 N ATOM 160 CA GLY A 11 11.864 -1.880 -3.652 1.00 1.87 C ATOM 161 C GLY A 11 11.572 -0.877 -2.542 1.00 1.39 C ATOM 162 O GLY A 11 11.798 0.316 -2.720 1.00 1.75 O ATOM 0 H GLY A 11 10.846 -3.301 -2.543 1.00 1.84 H new ATOM 0 HA2 GLY A 11 12.925 -2.129 -3.644 1.00 1.87 H new ATOM 0 HA3 GLY A 11 11.651 -1.422 -4.618 1.00 1.87 H new ATOM 166 N MET A 12 11.112 -1.359 -1.385 1.00 1.16 N ATOM 167 CA MET A 12 10.908 -0.594 -0.163 1.00 1.39 C ATOM 168 C MET A 12 12.059 0.375 0.124 1.00 1.96 C ATOM 169 O MET A 12 11.832 1.531 0.466 1.00 2.78 O ATOM 170 CB MET A 12 10.676 -1.587 0.984 1.00 2.00 C ATOM 171 CG MET A 12 11.810 -2.613 1.176 1.00 3.07 C ATOM 172 SD MET A 12 12.999 -2.219 2.482 1.00 4.87 S ATOM 173 CE MET A 12 14.097 -3.647 2.358 1.00 6.44 C ATOM 0 H MET A 12 10.861 -2.341 -1.275 1.00 1.16 H new ATOM 0 HA MET A 12 10.032 0.045 -0.276 1.00 1.39 H new ATOM 0 HB2 MET A 12 10.547 -1.029 1.911 1.00 2.00 H new ATOM 0 HB3 MET A 12 9.744 -2.123 0.802 1.00 2.00 H new ATOM 0 HG2 MET A 12 11.366 -3.584 1.393 1.00 3.07 H new ATOM 0 HG3 MET A 12 12.350 -2.713 0.234 1.00 3.07 H new ATOM 0 HE1 MET A 12 14.891 -3.561 3.099 1.00 6.44 H new ATOM 0 HE2 MET A 12 13.529 -4.559 2.539 1.00 6.44 H new ATOM 0 HE3 MET A 12 14.534 -3.684 1.360 1.00 6.44 H new ATOM 183 N THR A 13 13.297 -0.080 -0.070 1.00 2.24 N ATOM 184 CA THR A 13 14.517 0.685 0.108 1.00 3.15 C ATOM 185 C THR A 13 14.544 1.984 -0.705 1.00 2.28 C ATOM 186 O THR A 13 15.330 2.874 -0.387 1.00 3.00 O ATOM 187 CB THR A 13 15.704 -0.224 -0.263 1.00 4.49 C ATOM 188 OG1 THR A 13 15.251 -1.325 -1.041 1.00 5.41 O ATOM 189 CG2 THR A 13 16.387 -0.766 0.995 1.00 5.35 C ATOM 0 H THR A 13 13.478 -1.038 -0.370 1.00 2.24 H new ATOM 0 HA THR A 13 14.578 0.999 1.150 1.00 3.15 H new ATOM 0 HB THR A 13 16.416 0.372 -0.834 1.00 4.49 H new ATOM 0 HG1 THR A 13 16.012 -1.896 -1.274 1.00 5.41 H new ATOM 0 HG21 THR A 13 17.222 -1.405 0.709 1.00 5.35 H new ATOM 0 HG22 THR A 13 16.756 0.065 1.596 1.00 5.35 H new ATOM 0 HG23 THR A 13 15.670 -1.345 1.578 1.00 5.35 H new ATOM 197 N CYS A 14 13.717 2.121 -1.748 1.00 1.37 N ATOM 198 CA CYS A 14 13.768 3.249 -2.673 1.00 1.06 C ATOM 199 C CYS A 14 13.082 4.493 -2.088 1.00 1.58 C ATOM 200 O CYS A 14 12.298 5.141 -2.778 1.00 2.76 O ATOM 201 CB CYS A 14 13.150 2.869 -4.028 1.00 1.41 C ATOM 202 SG CYS A 14 14.022 1.481 -4.792 1.00 2.35 S ATOM 0 H CYS A 14 12.988 1.443 -1.972 1.00 1.37 H new ATOM 0 HA CYS A 14 14.817 3.499 -2.831 1.00 1.06 H new ATOM 0 HB2 CYS A 14 12.101 2.608 -3.890 1.00 1.41 H new ATOM 0 HB3 CYS A 14 13.179 3.730 -4.696 1.00 1.41 H new ATOM 0 HG CYS A 14 13.536 0.362 -4.342 1.00 2.35 H new ATOM 208 N ALA A 15 13.391 4.828 -0.828 1.00 2.08 N ATOM 209 CA ALA A 15 12.865 5.931 -0.025 1.00 2.80 C ATOM 210 C ALA A 15 11.539 6.517 -0.537 1.00 2.63 C ATOM 211 O ALA A 15 10.463 6.006 -0.221 1.00 4.07 O ATOM 212 CB ALA A 15 13.962 6.989 0.153 1.00 3.45 C ATOM 0 H ALA A 15 14.075 4.284 -0.302 1.00 2.08 H new ATOM 0 HA ALA A 15 12.595 5.528 0.951 1.00 2.80 H new ATOM 0 HB1 ALA A 15 13.577 7.815 0.751 1.00 3.45 H new ATOM 0 HB2 ALA A 15 14.819 6.543 0.659 1.00 3.45 H new ATOM 0 HB3 ALA A 15 14.270 7.361 -0.824 1.00 3.45 H new ATOM 218 N SER A 16 11.621 7.590 -1.329 1.00 1.48 N ATOM 219 CA SER A 16 10.511 8.362 -1.858 1.00 1.58 C ATOM 220 C SER A 16 9.405 7.508 -2.482 1.00 1.59 C ATOM 221 O SER A 16 8.245 7.912 -2.472 1.00 2.52 O ATOM 222 CB SER A 16 11.083 9.347 -2.879 1.00 2.05 C ATOM 223 OG SER A 16 12.312 9.855 -2.384 1.00 1.85 O ATOM 0 H SER A 16 12.522 7.959 -1.632 1.00 1.48 H new ATOM 0 HA SER A 16 10.027 8.881 -1.031 1.00 1.58 H new ATOM 0 HB2 SER A 16 11.238 8.850 -3.837 1.00 2.05 H new ATOM 0 HB3 SER A 16 10.380 10.162 -3.052 1.00 2.05 H new ATOM 0 HG SER A 16 12.689 10.487 -3.031 1.00 1.85 H new ATOM 229 N CYS A 17 9.743 6.339 -3.028 1.00 1.18 N ATOM 230 CA CYS A 17 8.767 5.391 -3.550 1.00 1.16 C ATOM 231 C CYS A 17 7.696 5.096 -2.504 1.00 1.03 C ATOM 232 O CYS A 17 6.505 5.160 -2.808 1.00 1.36 O ATOM 233 CB CYS A 17 9.461 4.098 -3.984 1.00 1.10 C ATOM 234 SG CYS A 17 10.341 4.393 -5.540 1.00 2.44 S ATOM 0 H CYS A 17 10.709 6.025 -3.119 1.00 1.18 H new ATOM 0 HA CYS A 17 8.284 5.835 -4.421 1.00 1.16 H new ATOM 0 HB2 CYS A 17 10.158 3.769 -3.214 1.00 1.10 H new ATOM 0 HB3 CYS A 17 8.728 3.302 -4.112 1.00 1.10 H new ATOM 0 HG CYS A 17 10.367 3.297 -6.238 1.00 2.44 H new ATOM 240 N VAL A 18 8.098 4.808 -1.261 1.00 0.75 N ATOM 241 CA VAL A 18 7.116 4.585 -0.211 1.00 0.71 C ATOM 242 C VAL A 18 6.307 5.857 0.017 1.00 0.68 C ATOM 243 O VAL A 18 5.091 5.781 0.033 1.00 0.78 O ATOM 244 CB VAL A 18 7.747 3.996 1.064 1.00 0.77 C ATOM 245 CG1 VAL A 18 6.922 4.301 2.318 1.00 1.56 C ATOM 246 CG2 VAL A 18 7.933 2.481 0.914 1.00 2.03 C ATOM 0 H VAL A 18 9.072 4.727 -0.969 1.00 0.75 H new ATOM 0 HA VAL A 18 6.413 3.818 -0.536 1.00 0.71 H new ATOM 0 HB VAL A 18 8.719 4.473 1.190 1.00 0.77 H new ATOM 0 HG11 VAL A 18 7.410 3.864 3.189 1.00 1.56 H new ATOM 0 HG12 VAL A 18 6.844 5.380 2.449 1.00 1.56 H new ATOM 0 HG13 VAL A 18 5.924 3.876 2.209 1.00 1.56 H new ATOM 0 HG21 VAL A 18 8.380 2.078 1.823 1.00 2.03 H new ATOM 0 HG22 VAL A 18 6.964 2.010 0.746 1.00 2.03 H new ATOM 0 HG23 VAL A 18 8.587 2.277 0.066 1.00 2.03 H new ATOM 256 N ALA A 19 6.943 7.023 0.128 1.00 0.66 N ATOM 257 CA ALA A 19 6.229 8.284 0.339 1.00 0.70 C ATOM 258 C ALA A 19 5.188 8.545 -0.761 1.00 0.74 C ATOM 259 O ALA A 19 4.092 9.044 -0.502 1.00 0.79 O ATOM 260 CB ALA A 19 7.227 9.439 0.442 1.00 0.73 C ATOM 0 H ALA A 19 7.957 7.121 0.075 1.00 0.66 H new ATOM 0 HA ALA A 19 5.681 8.209 1.278 1.00 0.70 H new ATOM 0 HB1 ALA A 19 6.688 10.373 0.599 1.00 0.73 H new ATOM 0 HB2 ALA A 19 7.901 9.264 1.281 1.00 0.73 H new ATOM 0 HB3 ALA A 19 7.805 9.504 -0.480 1.00 0.73 H new ATOM 266 N ASN A 20 5.531 8.203 -2.004 1.00 0.77 N ATOM 267 CA ASN A 20 4.625 8.296 -3.140 1.00 0.90 C ATOM 268 C ASN A 20 3.433 7.365 -2.901 1.00 0.92 C ATOM 269 O ASN A 20 2.279 7.797 -2.886 1.00 0.99 O ATOM 270 CB ASN A 20 5.403 7.953 -4.421 1.00 1.01 C ATOM 271 CG ASN A 20 4.530 7.889 -5.670 1.00 1.29 C ATOM 272 OD1 ASN A 20 3.471 8.498 -5.744 1.00 1.68 O ATOM 273 ND2 ASN A 20 4.962 7.137 -6.677 1.00 1.93 N ATOM 0 H ASN A 20 6.456 7.850 -2.248 1.00 0.77 H new ATOM 0 HA ASN A 20 4.230 9.305 -3.256 1.00 0.90 H new ATOM 0 HB2 ASN A 20 6.184 8.699 -4.572 1.00 1.01 H new ATOM 0 HB3 ASN A 20 5.901 6.993 -4.287 1.00 1.01 H new ATOM 0 HD21 ASN A 20 4.408 7.060 -7.530 1.00 1.93 H new ATOM 0 HD22 ASN A 20 5.847 6.637 -6.597 1.00 1.93 H new ATOM 280 N ILE A 21 3.725 6.084 -2.661 1.00 0.90 N ATOM 281 CA ILE A 21 2.718 5.081 -2.344 1.00 0.94 C ATOM 282 C ILE A 21 1.819 5.558 -1.187 1.00 0.85 C ATOM 283 O ILE A 21 0.601 5.477 -1.321 1.00 0.97 O ATOM 284 CB ILE A 21 3.405 3.722 -2.090 1.00 0.96 C ATOM 285 CG1 ILE A 21 4.054 3.181 -3.382 1.00 1.11 C ATOM 286 CG2 ILE A 21 2.413 2.676 -1.576 1.00 1.03 C ATOM 287 CD1 ILE A 21 5.073 2.069 -3.108 1.00 2.31 C ATOM 0 H ILE A 21 4.676 5.716 -2.683 1.00 0.90 H new ATOM 0 HA ILE A 21 2.047 4.938 -3.191 1.00 0.94 H new ATOM 0 HB ILE A 21 4.170 3.897 -1.333 1.00 0.96 H new ATOM 0 HG12 ILE A 21 3.276 2.801 -4.044 1.00 1.11 H new ATOM 0 HG13 ILE A 21 4.547 3.999 -3.907 1.00 1.11 H new ATOM 0 HG21 ILE A 21 2.933 1.733 -1.409 1.00 1.03 H new ATOM 0 HG22 ILE A 21 1.975 3.020 -0.639 1.00 1.03 H new ATOM 0 HG23 ILE A 21 1.624 2.530 -2.314 1.00 1.03 H new ATOM 0 HD11 ILE A 21 5.499 1.725 -4.051 1.00 2.31 H new ATOM 0 HD12 ILE A 21 5.868 2.454 -2.470 1.00 2.31 H new ATOM 0 HD13 ILE A 21 4.578 1.236 -2.608 1.00 2.31 H new ATOM 299 N GLU A 22 2.378 6.067 -0.079 1.00 0.70 N ATOM 300 CA GLU A 22 1.630 6.604 1.048 1.00 0.68 C ATOM 301 C GLU A 22 0.524 7.527 0.556 1.00 0.85 C ATOM 302 O GLU A 22 -0.644 7.207 0.710 1.00 1.03 O ATOM 303 CB GLU A 22 2.534 7.378 2.022 1.00 0.57 C ATOM 304 CG GLU A 22 3.460 6.528 2.894 1.00 0.51 C ATOM 305 CD GLU A 22 4.382 7.422 3.714 1.00 0.78 C ATOM 306 OE1 GLU A 22 3.843 8.372 4.323 1.00 1.99 O ATOM 307 OE2 GLU A 22 5.604 7.169 3.686 1.00 1.74 O ATOM 0 H GLU A 22 3.388 6.114 0.053 1.00 0.70 H new ATOM 0 HA GLU A 22 1.200 5.755 1.580 1.00 0.68 H new ATOM 0 HB2 GLU A 22 3.146 8.072 1.446 1.00 0.57 H new ATOM 0 HB3 GLU A 22 1.901 7.978 2.676 1.00 0.57 H new ATOM 0 HG2 GLU A 22 2.868 5.898 3.558 1.00 0.51 H new ATOM 0 HG3 GLU A 22 4.052 5.862 2.266 1.00 0.51 H new ATOM 314 N ARG A 23 0.902 8.665 -0.025 1.00 0.86 N ATOM 315 CA ARG A 23 0.028 9.673 -0.610 1.00 1.05 C ATOM 316 C ARG A 23 -1.035 9.033 -1.501 1.00 1.18 C ATOM 317 O ARG A 23 -2.225 9.310 -1.340 1.00 1.51 O ATOM 318 CB ARG A 23 0.862 10.661 -1.440 1.00 1.30 C ATOM 319 CG ARG A 23 1.801 11.547 -0.612 1.00 1.70 C ATOM 320 CD ARG A 23 1.026 12.581 0.219 1.00 1.89 C ATOM 321 NE ARG A 23 1.890 13.695 0.645 1.00 2.55 N ATOM 322 CZ ARG A 23 2.257 14.727 -0.135 1.00 2.91 C ATOM 323 NH1 ARG A 23 1.889 14.751 -1.421 1.00 3.24 N ATOM 324 NH2 ARG A 23 2.987 15.728 0.371 1.00 3.91 N ATOM 0 H ARG A 23 1.886 8.920 -0.103 1.00 0.86 H new ATOM 0 HA ARG A 23 -0.474 10.199 0.202 1.00 1.05 H new ATOM 0 HB2 ARG A 23 1.455 10.100 -2.163 1.00 1.30 H new ATOM 0 HB3 ARG A 23 0.187 11.300 -2.009 1.00 1.30 H new ATOM 0 HG2 ARG A 23 2.399 10.922 0.051 1.00 1.70 H new ATOM 0 HG3 ARG A 23 2.495 12.061 -1.277 1.00 1.70 H new ATOM 0 HD2 ARG A 23 0.194 12.970 -0.368 1.00 1.89 H new ATOM 0 HD3 ARG A 23 0.598 12.096 1.096 1.00 1.89 H new ATOM 0 HE ARG A 23 2.236 13.683 1.604 1.00 2.55 H new ATOM 0 HH11 ARG A 23 1.332 13.988 -1.806 1.00 3.24 H new ATOM 0 HH12 ARG A 23 2.165 15.532 -2.016 1.00 3.24 H new ATOM 0 HH21 ARG A 23 3.267 15.710 1.352 1.00 3.91 H new ATOM 0 HH22 ARG A 23 3.263 16.509 -0.224 1.00 3.91 H new ATOM 338 N ASN A 24 -0.592 8.205 -2.452 1.00 1.05 N ATOM 339 CA ASN A 24 -1.471 7.543 -3.410 1.00 1.22 C ATOM 340 C ASN A 24 -2.574 6.799 -2.664 1.00 1.23 C ATOM 341 O ASN A 24 -3.759 7.041 -2.884 1.00 1.38 O ATOM 342 CB ASN A 24 -0.657 6.586 -4.298 1.00 1.27 C ATOM 343 CG ASN A 24 0.335 7.329 -5.185 1.00 1.81 C ATOM 344 OD1 ASN A 24 0.166 8.510 -5.471 1.00 2.58 O ATOM 345 ND2 ASN A 24 1.396 6.652 -5.608 1.00 2.49 N ATOM 0 H ASN A 24 0.394 7.976 -2.576 1.00 1.05 H new ATOM 0 HA ASN A 24 -1.935 8.288 -4.056 1.00 1.22 H new ATOM 0 HB2 ASN A 24 -0.119 5.877 -3.668 1.00 1.27 H new ATOM 0 HB3 ASN A 24 -1.336 6.006 -4.922 1.00 1.27 H new ATOM 0 HD21 ASN A 24 2.098 7.113 -6.187 1.00 2.49 H new ATOM 0 HD22 ASN A 24 1.509 5.671 -5.354 1.00 2.49 H new ATOM 352 N LEU A 25 -2.171 5.925 -1.743 1.00 1.14 N ATOM 353 CA LEU A 25 -3.083 5.175 -0.899 1.00 1.04 C ATOM 354 C LEU A 25 -3.948 6.124 -0.064 1.00 1.07 C ATOM 355 O LEU A 25 -5.152 5.924 0.044 1.00 1.34 O ATOM 356 CB LEU A 25 -2.281 4.189 -0.031 1.00 0.83 C ATOM 357 CG LEU A 25 -2.150 2.808 -0.701 1.00 1.25 C ATOM 358 CD1 LEU A 25 -1.497 2.861 -2.087 1.00 1.71 C ATOM 359 CD2 LEU A 25 -1.351 1.870 0.208 1.00 2.10 C ATOM 0 H LEU A 25 -1.188 5.719 -1.564 1.00 1.14 H new ATOM 0 HA LEU A 25 -3.768 4.594 -1.517 1.00 1.04 H new ATOM 0 HB2 LEU A 25 -1.288 4.596 0.158 1.00 0.83 H new ATOM 0 HB3 LEU A 25 -2.769 4.078 0.937 1.00 0.83 H new ATOM 0 HG LEU A 25 -3.163 2.434 -0.847 1.00 1.25 H new ATOM 0 HD11 LEU A 25 -1.437 1.854 -2.500 1.00 1.71 H new ATOM 0 HD12 LEU A 25 -2.095 3.489 -2.747 1.00 1.71 H new ATOM 0 HD13 LEU A 25 -0.494 3.278 -2.001 1.00 1.71 H new ATOM 0 HD21 LEU A 25 -1.259 0.893 -0.267 1.00 2.10 H new ATOM 0 HD22 LEU A 25 -0.358 2.286 0.377 1.00 2.10 H new ATOM 0 HD23 LEU A 25 -1.866 1.762 1.162 1.00 2.10 H new ATOM 371 N ARG A 26 -3.361 7.164 0.530 1.00 1.00 N ATOM 372 CA ARG A 26 -4.017 8.050 1.461 1.00 1.12 C ATOM 373 C ARG A 26 -5.348 8.571 0.919 1.00 1.58 C ATOM 374 O ARG A 26 -6.327 8.694 1.650 1.00 2.00 O ATOM 375 CB ARG A 26 -3.091 9.227 1.774 1.00 1.05 C ATOM 376 CG ARG A 26 -3.145 9.551 3.262 1.00 1.93 C ATOM 377 CD ARG A 26 -4.277 10.511 3.636 1.00 2.85 C ATOM 378 NE ARG A 26 -4.266 10.794 5.080 1.00 3.93 N ATOM 379 CZ ARG A 26 -5.282 11.346 5.764 1.00 5.30 C ATOM 380 NH1 ARG A 26 -6.401 11.705 5.124 1.00 6.08 N ATOM 381 NH2 ARG A 26 -5.171 11.540 7.083 1.00 6.40 N ATOM 0 H ARG A 26 -2.385 7.411 0.364 1.00 1.00 H new ATOM 0 HA ARG A 26 -4.233 7.484 2.368 1.00 1.12 H new ATOM 0 HB2 ARG A 26 -2.069 8.984 1.483 1.00 1.05 H new ATOM 0 HB3 ARG A 26 -3.389 10.099 1.192 1.00 1.05 H new ATOM 0 HG2 ARG A 26 -3.264 8.624 3.824 1.00 1.93 H new ATOM 0 HG3 ARG A 26 -2.194 9.988 3.566 1.00 1.93 H new ATOM 0 HD2 ARG A 26 -4.171 11.441 3.078 1.00 2.85 H new ATOM 0 HD3 ARG A 26 -5.236 10.077 3.353 1.00 2.85 H new ATOM 0 HE ARG A 26 -3.423 10.553 5.601 1.00 3.93 H new ATOM 0 HH11 ARG A 26 -6.482 11.559 4.118 1.00 6.08 H new ATOM 0 HH12 ARG A 26 -7.173 12.124 5.642 1.00 6.08 H new ATOM 0 HH21 ARG A 26 -4.316 11.269 7.568 1.00 6.40 H new ATOM 0 HH22 ARG A 26 -5.942 11.959 7.603 1.00 6.40 H new ATOM 395 N ARG A 27 -5.348 8.939 -0.364 1.00 1.81 N ATOM 396 CA ARG A 27 -6.508 9.508 -1.032 1.00 2.42 C ATOM 397 C ARG A 27 -7.654 8.508 -1.206 1.00 1.63 C ATOM 398 O ARG A 27 -8.786 8.935 -1.423 1.00 2.22 O ATOM 399 CB ARG A 27 -6.092 10.026 -2.414 1.00 3.62 C ATOM 400 CG ARG A 27 -5.264 11.313 -2.316 1.00 4.18 C ATOM 401 CD ARG A 27 -4.941 11.850 -3.720 1.00 5.95 C ATOM 402 NE ARG A 27 -5.211 13.294 -3.845 1.00 6.09 N ATOM 403 CZ ARG A 27 -6.433 13.845 -3.954 1.00 6.45 C ATOM 404 NH1 ARG A 27 -7.521 13.071 -3.884 1.00 6.74 N ATOM 405 NH2 ARG A 27 -6.562 15.165 -4.126 1.00 6.96 N ATOM 0 H ARG A 27 -4.532 8.847 -0.969 1.00 1.81 H new ATOM 0 HA ARG A 27 -6.874 10.315 -0.397 1.00 2.42 H new ATOM 0 HB2 ARG A 27 -5.513 9.260 -2.930 1.00 3.62 H new ATOM 0 HB3 ARG A 27 -6.982 10.212 -3.015 1.00 3.62 H new ATOM 0 HG2 ARG A 27 -5.814 12.065 -1.750 1.00 4.18 H new ATOM 0 HG3 ARG A 27 -4.339 11.118 -1.773 1.00 4.18 H new ATOM 0 HD2 ARG A 27 -3.892 11.658 -3.947 1.00 5.95 H new ATOM 0 HD3 ARG A 27 -5.531 11.307 -4.458 1.00 5.95 H new ATOM 0 HE ARG A 27 -4.409 13.924 -3.849 1.00 6.09 H new ATOM 0 HH11 ARG A 27 -7.423 12.065 -3.748 1.00 6.74 H new ATOM 0 HH12 ARG A 27 -8.449 13.487 -3.966 1.00 6.74 H new ATOM 0 HH21 ARG A 27 -5.732 15.756 -4.175 1.00 6.96 H new ATOM 0 HH22 ARG A 27 -7.490 15.580 -4.208 1.00 6.96 H new ATOM 419 N GLU A 28 -7.358 7.208 -1.223 1.00 1.02 N ATOM 420 CA GLU A 28 -8.257 6.227 -1.810 1.00 1.08 C ATOM 421 C GLU A 28 -9.503 5.991 -0.945 1.00 1.23 C ATOM 422 O GLU A 28 -9.432 5.976 0.289 1.00 1.96 O ATOM 423 CB GLU A 28 -7.479 4.941 -2.119 1.00 1.15 C ATOM 424 CG GLU A 28 -7.443 4.620 -3.615 1.00 1.66 C ATOM 425 CD GLU A 28 -8.777 4.125 -4.160 1.00 2.31 C ATOM 426 OE1 GLU A 28 -9.789 4.817 -3.914 1.00 3.46 O ATOM 427 OE2 GLU A 28 -8.757 3.061 -4.813 1.00 2.78 O ATOM 0 H GLU A 28 -6.501 6.814 -0.835 1.00 1.02 H new ATOM 0 HA GLU A 28 -8.643 6.617 -2.752 1.00 1.08 H new ATOM 0 HB2 GLU A 28 -6.459 5.040 -1.748 1.00 1.15 H new ATOM 0 HB3 GLU A 28 -7.934 4.108 -1.583 1.00 1.15 H new ATOM 0 HG2 GLU A 28 -7.144 5.513 -4.164 1.00 1.66 H new ATOM 0 HG3 GLU A 28 -6.681 3.863 -3.798 1.00 1.66 H new ATOM 434 N GLU A 29 -10.652 5.812 -1.601 1.00 1.12 N ATOM 435 CA GLU A 29 -11.969 5.838 -0.982 1.00 1.28 C ATOM 436 C GLU A 29 -12.200 4.547 -0.193 1.00 1.13 C ATOM 437 O GLU A 29 -12.862 3.613 -0.642 1.00 1.35 O ATOM 438 CB GLU A 29 -13.052 6.120 -2.034 1.00 1.83 C ATOM 439 CG GLU A 29 -14.362 6.566 -1.367 1.00 3.47 C ATOM 440 CD GLU A 29 -15.424 6.933 -2.395 1.00 3.73 C ATOM 441 OE1 GLU A 29 -15.173 7.904 -3.140 1.00 3.65 O ATOM 442 OE2 GLU A 29 -16.467 6.246 -2.407 1.00 4.77 O ATOM 0 H GLU A 29 -10.687 5.640 -2.606 1.00 1.12 H new ATOM 0 HA GLU A 29 -12.028 6.656 -0.264 1.00 1.28 H new ATOM 0 HB2 GLU A 29 -12.706 6.894 -2.719 1.00 1.83 H new ATOM 0 HB3 GLU A 29 -13.229 5.224 -2.629 1.00 1.83 H new ATOM 0 HG2 GLU A 29 -14.736 5.765 -0.728 1.00 3.47 H new ATOM 0 HG3 GLU A 29 -14.168 7.424 -0.723 1.00 3.47 H new ATOM 449 N GLY A 30 -11.624 4.504 1.007 1.00 1.05 N ATOM 450 CA GLY A 30 -11.644 3.343 1.879 1.00 0.95 C ATOM 451 C GLY A 30 -10.370 3.239 2.715 1.00 0.76 C ATOM 452 O GLY A 30 -10.371 2.556 3.739 1.00 1.03 O ATOM 0 H GLY A 30 -11.120 5.297 1.404 1.00 1.05 H new ATOM 0 HA2 GLY A 30 -12.509 3.400 2.540 1.00 0.95 H new ATOM 0 HA3 GLY A 30 -11.760 2.440 1.279 1.00 0.95 H new ATOM 456 N ILE A 31 -9.278 3.889 2.300 1.00 0.50 N ATOM 457 CA ILE A 31 -8.053 3.900 3.079 1.00 0.39 C ATOM 458 C ILE A 31 -8.175 4.939 4.185 1.00 0.43 C ATOM 459 O ILE A 31 -8.365 6.124 3.927 1.00 0.78 O ATOM 460 CB ILE A 31 -6.833 4.098 2.166 1.00 0.42 C ATOM 461 CG1 ILE A 31 -6.679 2.768 1.414 1.00 0.80 C ATOM 462 CG2 ILE A 31 -5.573 4.412 2.985 1.00 0.61 C ATOM 463 CD1 ILE A 31 -5.578 2.719 0.364 1.00 1.41 C ATOM 0 H ILE A 31 -9.226 4.413 1.426 1.00 0.50 H new ATOM 0 HA ILE A 31 -7.897 2.936 3.564 1.00 0.39 H new ATOM 0 HB ILE A 31 -6.968 4.940 1.487 1.00 0.42 H new ATOM 0 HG12 ILE A 31 -6.493 1.980 2.144 1.00 0.80 H new ATOM 0 HG13 ILE A 31 -7.627 2.536 0.929 1.00 0.80 H new ATOM 0 HG21 ILE A 31 -4.726 4.547 2.312 1.00 0.61 H new ATOM 0 HG22 ILE A 31 -5.730 5.326 3.559 1.00 0.61 H new ATOM 0 HG23 ILE A 31 -5.367 3.587 3.667 1.00 0.61 H new ATOM 0 HD11 ILE A 31 -5.562 1.733 -0.101 1.00 1.41 H new ATOM 0 HD12 ILE A 31 -5.767 3.476 -0.397 1.00 1.41 H new ATOM 0 HD13 ILE A 31 -4.615 2.912 0.837 1.00 1.41 H new ATOM 475 N TYR A 32 -8.058 4.475 5.429 1.00 0.45 N ATOM 476 CA TYR A 32 -8.046 5.331 6.602 1.00 0.58 C ATOM 477 C TYR A 32 -6.611 5.683 6.985 1.00 0.60 C ATOM 478 O TYR A 32 -6.383 6.737 7.576 1.00 0.80 O ATOM 479 CB TYR A 32 -8.773 4.634 7.750 1.00 0.77 C ATOM 480 CG TYR A 32 -10.282 4.711 7.655 1.00 0.79 C ATOM 481 CD1 TYR A 32 -11.006 3.730 6.951 1.00 1.81 C ATOM 482 CD2 TYR A 32 -10.965 5.774 8.275 1.00 2.23 C ATOM 483 CE1 TYR A 32 -12.409 3.803 6.895 1.00 1.97 C ATOM 484 CE2 TYR A 32 -12.367 5.841 8.220 1.00 2.20 C ATOM 485 CZ TYR A 32 -13.088 4.864 7.514 1.00 1.07 C ATOM 486 OH TYR A 32 -14.448 4.911 7.469 1.00 1.29 O ATOM 0 H TYR A 32 -7.968 3.483 5.647 1.00 0.45 H new ATOM 0 HA TYR A 32 -8.567 6.262 6.379 1.00 0.58 H new ATOM 0 HB2 TYR A 32 -8.473 3.586 7.775 1.00 0.77 H new ATOM 0 HB3 TYR A 32 -8.455 5.079 8.693 1.00 0.77 H new ATOM 0 HD1 TYR A 32 -10.485 2.924 6.456 1.00 1.81 H new ATOM 0 HD2 TYR A 32 -10.409 6.541 8.795 1.00 2.23 H new ATOM 0 HE1 TYR A 32 -12.967 3.039 6.373 1.00 1.97 H new ATOM 0 HE2 TYR A 32 -12.890 6.643 8.720 1.00 2.20 H new ATOM 0 HH TYR A 32 -14.764 5.707 7.945 1.00 1.29 H new ATOM 496 N SER A 33 -5.642 4.813 6.678 1.00 0.50 N ATOM 497 CA SER A 33 -4.242 5.098 6.949 1.00 0.54 C ATOM 498 C SER A 33 -3.354 4.349 5.970 1.00 0.42 C ATOM 499 O SER A 33 -3.668 3.228 5.575 1.00 0.44 O ATOM 500 CB SER A 33 -3.884 4.719 8.391 1.00 0.73 C ATOM 501 OG SER A 33 -2.565 5.128 8.702 1.00 0.92 O ATOM 0 H SER A 33 -5.809 3.907 6.241 1.00 0.50 H new ATOM 0 HA SER A 33 -4.077 6.168 6.824 1.00 0.54 H new ATOM 0 HB2 SER A 33 -4.587 5.186 9.081 1.00 0.73 H new ATOM 0 HB3 SER A 33 -3.977 3.641 8.523 1.00 0.73 H new ATOM 0 HG SER A 33 -2.355 4.879 9.626 1.00 0.92 H new ATOM 507 N ILE A 34 -2.230 4.982 5.645 1.00 0.53 N ATOM 508 CA ILE A 34 -1.242 4.551 4.678 1.00 0.53 C ATOM 509 C ILE A 34 -0.326 3.471 5.250 1.00 0.51 C ATOM 510 O ILE A 34 -0.391 3.151 6.433 1.00 0.68 O ATOM 511 CB ILE A 34 -0.385 5.768 4.275 1.00 0.69 C ATOM 512 CG1 ILE A 34 0.672 6.225 5.305 1.00 1.88 C ATOM 513 CG2 ILE A 34 -1.247 6.958 3.861 1.00 0.95 C ATOM 514 CD1 ILE A 34 0.216 6.378 6.758 1.00 3.22 C ATOM 0 H ILE A 34 -1.975 5.867 6.083 1.00 0.53 H new ATOM 0 HA ILE A 34 -1.764 4.132 3.817 1.00 0.53 H new ATOM 0 HB ILE A 34 0.182 5.396 3.421 1.00 0.69 H new ATOM 0 HG12 ILE A 34 1.495 5.511 5.283 1.00 1.88 H new ATOM 0 HG13 ILE A 34 1.073 7.183 4.975 1.00 1.88 H new ATOM 0 HG21 ILE A 34 -0.605 7.794 3.585 1.00 0.95 H new ATOM 0 HG22 ILE A 34 -1.867 6.679 3.009 1.00 0.95 H new ATOM 0 HG23 ILE A 34 -1.886 7.251 4.694 1.00 0.95 H new ATOM 0 HD11 ILE A 34 1.057 6.703 7.371 1.00 3.22 H new ATOM 0 HD12 ILE A 34 -0.581 7.119 6.813 1.00 3.22 H new ATOM 0 HD13 ILE A 34 -0.152 5.421 7.126 1.00 3.22 H new ATOM 526 N LEU A 35 0.564 2.966 4.395 1.00 0.49 N ATOM 527 CA LEU A 35 1.593 2.015 4.738 1.00 0.55 C ATOM 528 C LEU A 35 2.795 2.678 5.401 1.00 0.79 C ATOM 529 O LEU A 35 3.165 3.793 5.056 1.00 1.27 O ATOM 530 CB LEU A 35 2.009 1.235 3.480 1.00 0.63 C ATOM 531 CG LEU A 35 2.970 1.871 2.445 1.00 1.09 C ATOM 532 CD1 LEU A 35 2.491 3.228 1.932 1.00 2.17 C ATOM 533 CD2 LEU A 35 4.439 1.919 2.881 1.00 3.54 C ATOM 0 H LEU A 35 0.579 3.226 3.409 1.00 0.49 H new ATOM 0 HA LEU A 35 1.184 1.321 5.472 1.00 0.55 H new ATOM 0 HB2 LEU A 35 2.467 0.304 3.815 1.00 0.63 H new ATOM 0 HB3 LEU A 35 1.095 0.968 2.949 1.00 0.63 H new ATOM 0 HG LEU A 35 2.937 1.178 1.605 1.00 1.09 H new ATOM 0 HD11 LEU A 35 3.209 3.618 1.211 1.00 2.17 H new ATOM 0 HD12 LEU A 35 1.520 3.113 1.451 1.00 2.17 H new ATOM 0 HD13 LEU A 35 2.402 3.922 2.768 1.00 2.17 H new ATOM 0 HD21 LEU A 35 5.037 2.380 2.095 1.00 3.54 H new ATOM 0 HD22 LEU A 35 4.528 2.505 3.796 1.00 3.54 H new ATOM 0 HD23 LEU A 35 4.798 0.906 3.063 1.00 3.54 H new ATOM 545 N VAL A 36 3.430 1.977 6.340 1.00 0.59 N ATOM 546 CA VAL A 36 4.798 2.250 6.739 1.00 0.57 C ATOM 547 C VAL A 36 5.391 1.033 7.449 1.00 0.62 C ATOM 548 O VAL A 36 5.121 0.799 8.623 1.00 0.85 O ATOM 549 CB VAL A 36 4.926 3.553 7.549 1.00 0.68 C ATOM 550 CG1 VAL A 36 3.961 3.633 8.738 1.00 0.73 C ATOM 551 CG2 VAL A 36 6.384 3.733 7.989 1.00 0.92 C ATOM 0 H VAL A 36 3.002 1.201 6.844 1.00 0.59 H new ATOM 0 HA VAL A 36 5.390 2.423 5.841 1.00 0.57 H new ATOM 0 HB VAL A 36 4.636 4.377 6.897 1.00 0.68 H new ATOM 0 HG11 VAL A 36 4.107 4.577 9.262 1.00 0.73 H new ATOM 0 HG12 VAL A 36 2.934 3.573 8.378 1.00 0.73 H new ATOM 0 HG13 VAL A 36 4.155 2.805 9.420 1.00 0.73 H new ATOM 0 HG21 VAL A 36 6.480 4.655 8.563 1.00 0.92 H new ATOM 0 HG22 VAL A 36 6.684 2.887 8.608 1.00 0.92 H new ATOM 0 HG23 VAL A 36 7.026 3.785 7.109 1.00 0.92 H new ATOM 561 N ALA A 37 6.246 0.275 6.765 1.00 0.51 N ATOM 562 CA ALA A 37 7.226 -0.564 7.440 1.00 0.53 C ATOM 563 C ALA A 37 8.448 -0.737 6.537 1.00 0.58 C ATOM 564 O ALA A 37 9.038 -1.816 6.448 1.00 0.60 O ATOM 565 CB ALA A 37 6.585 -1.868 7.923 1.00 0.54 C ATOM 0 H ALA A 37 6.278 0.227 5.747 1.00 0.51 H new ATOM 0 HA ALA A 37 7.587 -0.085 8.350 1.00 0.53 H new ATOM 0 HB1 ALA A 37 7.336 -2.479 8.424 1.00 0.54 H new ATOM 0 HB2 ALA A 37 5.778 -1.641 8.620 1.00 0.54 H new ATOM 0 HB3 ALA A 37 6.184 -2.414 7.069 1.00 0.54 H new ATOM 571 N LEU A 38 8.835 0.375 5.898 1.00 0.65 N ATOM 572 CA LEU A 38 10.020 0.500 5.057 1.00 0.75 C ATOM 573 C LEU A 38 11.210 -0.092 5.807 1.00 0.89 C ATOM 574 O LEU A 38 11.910 -0.948 5.276 1.00 1.25 O ATOM 575 CB LEU A 38 10.228 1.988 4.720 1.00 0.77 C ATOM 576 CG LEU A 38 11.075 2.242 3.464 1.00 0.89 C ATOM 577 CD1 LEU A 38 11.082 3.742 3.154 1.00 1.14 C ATOM 578 CD2 LEU A 38 12.527 1.766 3.583 1.00 1.72 C ATOM 0 H LEU A 38 8.305 1.245 5.959 1.00 0.65 H new ATOM 0 HA LEU A 38 9.907 -0.044 4.119 1.00 0.75 H new ATOM 0 HB2 LEU A 38 9.253 2.458 4.587 1.00 0.77 H new ATOM 0 HB3 LEU A 38 10.704 2.477 5.570 1.00 0.77 H new ATOM 0 HG LEU A 38 10.613 1.662 2.665 1.00 0.89 H new ATOM 0 HD11 LEU A 38 11.682 3.927 2.263 1.00 1.14 H new ATOM 0 HD12 LEU A 38 10.061 4.082 2.981 1.00 1.14 H new ATOM 0 HD13 LEU A 38 11.508 4.286 3.997 1.00 1.14 H new ATOM 0 HD21 LEU A 38 13.058 1.981 2.656 1.00 1.72 H new ATOM 0 HD22 LEU A 38 13.014 2.285 4.409 1.00 1.72 H new ATOM 0 HD23 LEU A 38 12.544 0.692 3.770 1.00 1.72 H new ATOM 590 N MET A 39 11.348 0.313 7.075 1.00 0.74 N ATOM 591 CA MET A 39 12.283 -0.187 8.078 1.00 0.85 C ATOM 592 C MET A 39 12.751 -1.618 7.809 1.00 0.85 C ATOM 593 O MET A 39 13.947 -1.893 7.786 1.00 1.10 O ATOM 594 CB MET A 39 11.618 -0.149 9.465 1.00 0.93 C ATOM 595 CG MET A 39 11.232 1.259 9.934 1.00 1.97 C ATOM 596 SD MET A 39 9.576 1.875 9.517 1.00 3.88 S ATOM 597 CE MET A 39 8.562 0.882 10.638 1.00 3.98 C ATOM 0 H MET A 39 10.761 1.057 7.451 1.00 0.74 H new ATOM 0 HA MET A 39 13.158 0.462 8.034 1.00 0.85 H new ATOM 0 HB2 MET A 39 10.724 -0.772 9.445 1.00 0.93 H new ATOM 0 HB3 MET A 39 12.297 -0.590 10.194 1.00 0.93 H new ATOM 0 HG2 MET A 39 11.336 1.289 11.019 1.00 1.97 H new ATOM 0 HG3 MET A 39 11.961 1.958 9.524 1.00 1.97 H new ATOM 0 HE1 MET A 39 7.515 1.167 10.531 1.00 3.98 H new ATOM 0 HE2 MET A 39 8.678 -0.174 10.394 1.00 3.98 H new ATOM 0 HE3 MET A 39 8.881 1.054 11.666 1.00 3.98 H new ATOM 607 N ALA A 40 11.785 -2.527 7.656 1.00 0.75 N ATOM 608 CA ALA A 40 12.024 -3.953 7.516 1.00 0.90 C ATOM 609 C ALA A 40 11.524 -4.481 6.170 1.00 1.20 C ATOM 610 O ALA A 40 11.573 -5.687 5.930 1.00 2.22 O ATOM 611 CB ALA A 40 11.302 -4.645 8.669 1.00 0.91 C ATOM 0 H ALA A 40 10.796 -2.280 7.626 1.00 0.75 H new ATOM 0 HA ALA A 40 13.094 -4.156 7.547 1.00 0.90 H new ATOM 0 HB1 ALA A 40 11.457 -5.722 8.601 1.00 0.91 H new ATOM 0 HB2 ALA A 40 11.698 -4.281 9.617 1.00 0.91 H new ATOM 0 HB3 ALA A 40 10.235 -4.427 8.613 1.00 0.91 H new ATOM 617 N GLY A 41 10.981 -3.618 5.313 1.00 0.57 N ATOM 618 CA GLY A 41 10.408 -3.991 4.033 1.00 0.78 C ATOM 619 C GLY A 41 9.038 -4.645 4.185 1.00 0.85 C ATOM 620 O GLY A 41 8.851 -5.807 3.813 1.00 1.19 O ATOM 0 H GLY A 41 10.929 -2.617 5.500 1.00 0.57 H new ATOM 0 HA2 GLY A 41 10.318 -3.105 3.405 1.00 0.78 H new ATOM 0 HA3 GLY A 41 11.082 -4.678 3.521 1.00 0.78 H new ATOM 624 N LYS A 42 8.087 -3.917 4.769 1.00 0.64 N ATOM 625 CA LYS A 42 6.658 -4.174 4.718 1.00 0.55 C ATOM 626 C LYS A 42 5.926 -2.845 4.531 1.00 0.37 C ATOM 627 O LYS A 42 6.528 -1.771 4.532 1.00 0.37 O ATOM 628 CB LYS A 42 6.181 -4.849 6.012 1.00 0.68 C ATOM 629 CG LYS A 42 6.436 -6.354 6.048 1.00 0.97 C ATOM 630 CD LYS A 42 7.222 -6.749 7.300 1.00 1.37 C ATOM 631 CE LYS A 42 8.682 -6.307 7.160 1.00 2.25 C ATOM 632 NZ LYS A 42 9.387 -7.113 6.139 1.00 3.86 N ATOM 0 H LYS A 42 8.311 -3.088 5.319 1.00 0.64 H new ATOM 0 HA LYS A 42 6.444 -4.843 3.885 1.00 0.55 H new ATOM 0 HB2 LYS A 42 6.683 -4.384 6.860 1.00 0.68 H new ATOM 0 HB3 LYS A 42 5.113 -4.667 6.134 1.00 0.68 H new ATOM 0 HG2 LYS A 42 5.486 -6.888 6.028 1.00 0.97 H new ATOM 0 HG3 LYS A 42 6.989 -6.654 5.158 1.00 0.97 H new ATOM 0 HD2 LYS A 42 6.776 -6.287 8.181 1.00 1.37 H new ATOM 0 HD3 LYS A 42 7.172 -7.828 7.446 1.00 1.37 H new ATOM 0 HE2 LYS A 42 8.721 -5.253 6.886 1.00 2.25 H new ATOM 0 HE3 LYS A 42 9.189 -6.406 8.120 1.00 2.25 H new ATOM 0 HZ1 LYS A 42 10.402 -6.888 6.159 1.00 3.86 H new ATOM 0 HZ2 LYS A 42 9.253 -8.124 6.342 1.00 3.86 H new ATOM 0 HZ3 LYS A 42 9.002 -6.894 5.198 1.00 3.86 H new ATOM 646 N ALA A 43 4.609 -2.950 4.397 1.00 0.35 N ATOM 647 CA ALA A 43 3.647 -1.887 4.260 1.00 0.33 C ATOM 648 C ALA A 43 2.395 -2.350 5.013 1.00 0.33 C ATOM 649 O ALA A 43 2.091 -3.542 4.981 1.00 0.48 O ATOM 650 CB ALA A 43 3.392 -1.709 2.758 1.00 0.43 C ATOM 0 H ALA A 43 4.158 -3.865 4.381 1.00 0.35 H new ATOM 0 HA ALA A 43 3.973 -0.930 4.667 1.00 0.33 H new ATOM 0 HB1 ALA A 43 2.666 -0.911 2.604 1.00 0.43 H new ATOM 0 HB2 ALA A 43 4.326 -1.452 2.258 1.00 0.43 H new ATOM 0 HB3 ALA A 43 3.002 -2.638 2.342 1.00 0.43 H new ATOM 656 N GLU A 44 1.702 -1.445 5.717 1.00 0.38 N ATOM 657 CA GLU A 44 0.533 -1.770 6.523 1.00 0.46 C ATOM 658 C GLU A 44 -0.535 -0.705 6.301 1.00 0.42 C ATOM 659 O GLU A 44 -0.443 0.368 6.885 1.00 0.51 O ATOM 660 CB GLU A 44 0.942 -1.856 8.003 1.00 0.58 C ATOM 661 CG GLU A 44 -0.280 -2.091 8.897 1.00 2.25 C ATOM 662 CD GLU A 44 0.074 -2.105 10.373 1.00 2.18 C ATOM 663 OE1 GLU A 44 0.048 -1.028 11.009 1.00 2.73 O ATOM 664 OE2 GLU A 44 0.192 -3.207 10.951 1.00 2.85 O ATOM 0 H GLU A 44 1.947 -0.455 5.738 1.00 0.38 H new ATOM 0 HA GLU A 44 0.122 -2.736 6.229 1.00 0.46 H new ATOM 0 HB2 GLU A 44 1.658 -2.666 8.140 1.00 0.58 H new ATOM 0 HB3 GLU A 44 1.443 -0.934 8.300 1.00 0.58 H new ATOM 0 HG2 GLU A 44 -1.018 -1.311 8.711 1.00 2.25 H new ATOM 0 HG3 GLU A 44 -0.745 -3.040 8.629 1.00 2.25 H new ATOM 671 N VAL A 45 -1.536 -0.984 5.467 1.00 0.62 N ATOM 672 CA VAL A 45 -2.589 -0.023 5.168 1.00 0.60 C ATOM 673 C VAL A 45 -3.792 -0.322 6.070 1.00 0.64 C ATOM 674 O VAL A 45 -4.175 -1.488 6.197 1.00 0.86 O ATOM 675 CB VAL A 45 -2.905 -0.069 3.659 1.00 0.85 C ATOM 676 CG1 VAL A 45 -3.478 -1.410 3.193 1.00 2.35 C ATOM 677 CG2 VAL A 45 -3.860 1.049 3.234 1.00 1.82 C ATOM 0 H VAL A 45 -1.637 -1.877 4.984 1.00 0.62 H new ATOM 0 HA VAL A 45 -2.280 1.000 5.382 1.00 0.60 H new ATOM 0 HB VAL A 45 -1.938 0.072 3.176 1.00 0.85 H new ATOM 0 HG11 VAL A 45 -3.676 -1.369 2.122 1.00 2.35 H new ATOM 0 HG12 VAL A 45 -2.760 -2.204 3.399 1.00 2.35 H new ATOM 0 HG13 VAL A 45 -4.407 -1.614 3.726 1.00 2.35 H new ATOM 0 HG21 VAL A 45 -4.053 0.976 2.164 1.00 1.82 H new ATOM 0 HG22 VAL A 45 -4.799 0.952 3.779 1.00 1.82 H new ATOM 0 HG23 VAL A 45 -3.409 2.016 3.456 1.00 1.82 H new ATOM 687 N ARG A 46 -4.404 0.707 6.680 1.00 0.78 N ATOM 688 CA ARG A 46 -5.750 0.546 7.219 1.00 0.78 C ATOM 689 C ARG A 46 -6.702 0.788 6.058 1.00 0.56 C ATOM 690 O ARG A 46 -6.796 1.915 5.563 1.00 0.59 O ATOM 691 CB ARG A 46 -6.097 1.458 8.407 1.00 0.85 C ATOM 692 CG ARG A 46 -7.542 1.127 8.845 1.00 0.97 C ATOM 693 CD ARG A 46 -8.102 2.016 9.963 1.00 1.47 C ATOM 694 NE ARG A 46 -9.576 2.080 9.866 1.00 2.57 N ATOM 695 CZ ARG A 46 -10.369 2.983 10.466 1.00 3.42 C ATOM 696 NH1 ARG A 46 -9.843 3.848 11.339 1.00 3.25 N ATOM 697 NH2 ARG A 46 -11.679 3.021 10.191 1.00 4.86 N ATOM 0 H ARG A 46 -3.995 1.633 6.807 1.00 0.78 H new ATOM 0 HA ARG A 46 -5.832 -0.457 7.638 1.00 0.78 H new ATOM 0 HB2 ARG A 46 -5.401 1.296 9.230 1.00 0.85 H new ATOM 0 HB3 ARG A 46 -6.014 2.507 8.121 1.00 0.85 H new ATOM 0 HG2 ARG A 46 -8.196 1.207 7.977 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -7.576 0.089 9.176 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -7.810 1.619 10.935 1.00 1.47 H new ATOM 0 HD3 ARG A 46 -7.680 3.018 9.888 1.00 1.47 H new ATOM 0 HE ARG A 46 -10.033 1.373 9.290 1.00 2.57 H new ATOM 0 HH11 ARG A 46 -8.845 3.820 11.546 1.00 3.25 H new ATOM 0 HH12 ARG A 46 -10.440 4.536 11.798 1.00 3.25 H new ATOM 0 HH21 ARG A 46 -12.079 2.362 9.523 1.00 4.86 H new ATOM 0 HH22 ARG A 46 -12.277 3.709 10.650 1.00 4.86 H new ATOM 711 N TYR A 47 -7.413 -0.266 5.666 1.00 0.56 N ATOM 712 CA TYR A 47 -8.283 -0.311 4.508 1.00 0.60 C ATOM 713 C TYR A 47 -9.677 -0.756 4.934 1.00 0.54 C ATOM 714 O TYR A 47 -9.865 -1.296 6.027 1.00 0.66 O ATOM 715 CB TYR A 47 -7.694 -1.242 3.439 1.00 0.76 C ATOM 716 CG TYR A 47 -7.829 -2.733 3.714 1.00 0.96 C ATOM 717 CD1 TYR A 47 -7.361 -3.271 4.924 1.00 2.65 C ATOM 718 CD2 TYR A 47 -8.525 -3.570 2.819 1.00 1.46 C ATOM 719 CE1 TYR A 47 -7.836 -4.515 5.369 1.00 2.90 C ATOM 720 CE2 TYR A 47 -8.851 -4.884 3.201 1.00 1.49 C ATOM 721 CZ TYR A 47 -8.611 -5.310 4.518 1.00 1.62 C ATOM 722 OH TYR A 47 -9.167 -6.451 5.007 1.00 2.20 O ATOM 0 H TYR A 47 -7.393 -1.150 6.175 1.00 0.56 H new ATOM 0 HA TYR A 47 -8.363 0.684 4.070 1.00 0.60 H new ATOM 0 HB2 TYR A 47 -8.176 -1.022 2.487 1.00 0.76 H new ATOM 0 HB3 TYR A 47 -6.636 -1.007 3.322 1.00 0.76 H new ATOM 0 HD1 TYR A 47 -6.636 -2.728 5.512 1.00 2.65 H new ATOM 0 HD2 TYR A 47 -8.807 -3.204 1.843 1.00 1.46 H new ATOM 0 HE1 TYR A 47 -7.603 -4.858 6.367 1.00 2.90 H new ATOM 0 HE2 TYR A 47 -9.285 -5.564 2.483 1.00 1.49 H new ATOM 0 HH TYR A 47 -9.624 -6.929 4.283 1.00 2.20 H new ATOM 732 N ASN A 48 -10.654 -0.513 4.063 1.00 0.65 N ATOM 733 CA ASN A 48 -12.064 -0.708 4.363 1.00 0.86 C ATOM 734 C ASN A 48 -12.731 -1.474 3.219 1.00 0.92 C ATOM 735 O ASN A 48 -13.282 -0.843 2.312 1.00 1.07 O ATOM 736 CB ASN A 48 -12.696 0.662 4.607 1.00 1.15 C ATOM 737 CG ASN A 48 -14.120 0.531 5.119 1.00 1.54 C ATOM 738 OD1 ASN A 48 -14.343 0.481 6.329 1.00 2.92 O ATOM 739 ND2 ASN A 48 -15.074 0.468 4.198 1.00 1.51 N ATOM 0 H ASN A 48 -10.483 -0.171 3.118 1.00 0.65 H new ATOM 0 HA ASN A 48 -12.200 -1.308 5.263 1.00 0.86 H new ATOM 0 HB2 ASN A 48 -12.098 1.217 5.329 1.00 1.15 H new ATOM 0 HB3 ASN A 48 -12.692 1.237 3.681 1.00 1.15 H new ATOM 0 HD21 ASN A 48 -16.050 0.373 4.480 1.00 1.51 H new ATOM 0 HD22 ASN A 48 -14.831 0.514 3.208 1.00 1.51 H new ATOM 746 N PRO A 49 -12.645 -2.818 3.223 1.00 0.88 N ATOM 747 CA PRO A 49 -13.049 -3.661 2.107 1.00 0.93 C ATOM 748 C PRO A 49 -14.570 -3.712 1.962 1.00 0.91 C ATOM 749 O PRO A 49 -15.216 -4.710 2.276 1.00 0.97 O ATOM 750 CB PRO A 49 -12.433 -5.030 2.393 1.00 0.98 C ATOM 751 CG PRO A 49 -12.383 -5.083 3.916 1.00 0.92 C ATOM 752 CD PRO A 49 -12.076 -3.633 4.289 1.00 0.88 C ATOM 0 HA PRO A 49 -12.699 -3.271 1.151 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.039 -5.837 1.982 1.00 0.98 H new ATOM 0 HB3 PRO A 49 -11.439 -5.123 1.955 1.00 0.98 H new ATOM 0 HG2 PRO A 49 -13.328 -5.420 4.341 1.00 0.92 H new ATOM 0 HG3 PRO A 49 -11.612 -5.766 4.273 1.00 0.92 H new ATOM 0 HD2 PRO A 49 -12.514 -3.376 5.253 1.00 0.88 H new ATOM 0 HD3 PRO A 49 -11.002 -3.470 4.374 1.00 0.88 H new ATOM 760 N ALA A 50 -15.133 -2.621 1.453 1.00 0.87 N ATOM 761 CA ALA A 50 -16.514 -2.512 1.027 1.00 0.85 C ATOM 762 C ALA A 50 -16.503 -1.756 -0.297 1.00 0.82 C ATOM 763 O ALA A 50 -16.850 -2.309 -1.338 1.00 1.09 O ATOM 764 CB ALA A 50 -17.332 -1.799 2.107 1.00 1.04 C ATOM 0 H ALA A 50 -14.612 -1.754 1.323 1.00 0.87 H new ATOM 0 HA ALA A 50 -16.982 -3.486 0.883 1.00 0.85 H new ATOM 0 HB1 ALA A 50 -18.370 -1.719 1.784 1.00 1.04 H new ATOM 0 HB2 ALA A 50 -17.284 -2.369 3.035 1.00 1.04 H new ATOM 0 HB3 ALA A 50 -16.925 -0.801 2.272 1.00 1.04 H new ATOM 770 N VAL A 51 -16.032 -0.509 -0.258 1.00 0.79 N ATOM 771 CA VAL A 51 -15.888 0.320 -1.441 1.00 0.87 C ATOM 772 C VAL A 51 -14.658 -0.137 -2.233 1.00 0.67 C ATOM 773 O VAL A 51 -14.774 -0.595 -3.366 1.00 0.94 O ATOM 774 CB VAL A 51 -15.805 1.797 -1.012 1.00 1.12 C ATOM 775 CG1 VAL A 51 -15.616 2.717 -2.223 1.00 1.31 C ATOM 776 CG2 VAL A 51 -17.079 2.223 -0.269 1.00 1.55 C ATOM 0 H VAL A 51 -15.740 -0.049 0.604 1.00 0.79 H new ATOM 0 HA VAL A 51 -16.751 0.218 -2.098 1.00 0.87 H new ATOM 0 HB VAL A 51 -14.944 1.889 -0.350 1.00 1.12 H new ATOM 0 HG11 VAL A 51 -15.561 3.753 -1.888 1.00 1.31 H new ATOM 0 HG12 VAL A 51 -14.693 2.453 -2.740 1.00 1.31 H new ATOM 0 HG13 VAL A 51 -16.459 2.600 -2.904 1.00 1.31 H new ATOM 0 HG21 VAL A 51 -16.997 3.270 0.024 1.00 1.55 H new ATOM 0 HG22 VAL A 51 -17.941 2.096 -0.923 1.00 1.55 H new ATOM 0 HG23 VAL A 51 -17.205 1.606 0.621 1.00 1.55 H new ATOM 786 N ILE A 52 -13.474 0.004 -1.630 1.00 0.49 N ATOM 787 CA ILE A 52 -12.206 -0.032 -2.352 1.00 0.59 C ATOM 788 C ILE A 52 -11.879 -1.407 -2.942 1.00 0.68 C ATOM 789 O ILE A 52 -11.627 -1.525 -4.134 1.00 1.13 O ATOM 790 CB ILE A 52 -11.096 0.524 -1.445 1.00 0.64 C ATOM 791 CG1 ILE A 52 -9.811 0.745 -2.251 1.00 0.88 C ATOM 792 CG2 ILE A 52 -10.834 -0.318 -0.185 1.00 0.79 C ATOM 793 CD1 ILE A 52 -8.824 1.574 -1.433 1.00 1.40 C ATOM 0 H ILE A 52 -13.371 0.146 -0.625 1.00 0.49 H new ATOM 0 HA ILE A 52 -12.290 0.610 -3.229 1.00 0.59 H new ATOM 0 HB ILE A 52 -11.456 1.483 -1.073 1.00 0.64 H new ATOM 0 HG12 ILE A 52 -9.365 -0.215 -2.512 1.00 0.88 H new ATOM 0 HG13 ILE A 52 -10.041 1.255 -3.187 1.00 0.88 H new ATOM 0 HG21 ILE A 52 -10.038 0.141 0.401 1.00 0.79 H new ATOM 0 HG22 ILE A 52 -11.743 -0.368 0.415 1.00 0.79 H new ATOM 0 HG23 ILE A 52 -10.536 -1.325 -0.476 1.00 0.79 H new ATOM 0 HD11 ILE A 52 -7.912 1.728 -2.010 1.00 1.40 H new ATOM 0 HD12 ILE A 52 -9.270 2.539 -1.194 1.00 1.40 H new ATOM 0 HD13 ILE A 52 -8.584 1.047 -0.510 1.00 1.40 H new ATOM 805 N GLN A 53 -11.879 -2.430 -2.087 1.00 0.57 N ATOM 806 CA GLN A 53 -11.527 -3.818 -2.348 1.00 0.78 C ATOM 807 C GLN A 53 -10.001 -4.028 -2.429 1.00 0.65 C ATOM 808 O GLN A 53 -9.310 -3.331 -3.172 1.00 0.50 O ATOM 809 CB GLN A 53 -12.282 -4.399 -3.555 1.00 1.03 C ATOM 810 CG GLN A 53 -13.810 -4.301 -3.395 1.00 1.34 C ATOM 811 CD GLN A 53 -14.313 -5.099 -2.192 1.00 2.39 C ATOM 812 OE1 GLN A 53 -13.742 -6.128 -1.844 1.00 3.48 O ATOM 813 NE2 GLN A 53 -15.363 -4.639 -1.522 1.00 3.30 N ATOM 0 H GLN A 53 -12.149 -2.293 -1.113 1.00 0.57 H new ATOM 0 HA GLN A 53 -11.863 -4.394 -1.486 1.00 0.78 H new ATOM 0 HB2 GLN A 53 -11.979 -3.869 -4.458 1.00 1.03 H new ATOM 0 HB3 GLN A 53 -12.000 -5.443 -3.688 1.00 1.03 H new ATOM 0 HG2 GLN A 53 -14.096 -3.255 -3.282 1.00 1.34 H new ATOM 0 HG3 GLN A 53 -14.293 -4.667 -4.301 1.00 1.34 H new ATOM 0 HE21 GLN A 53 -15.826 -3.782 -1.825 1.00 3.30 H new ATOM 0 HE22 GLN A 53 -15.707 -5.143 -0.704 1.00 3.30 H new ATOM 822 N PRO A 54 -9.453 -4.992 -1.665 1.00 0.86 N ATOM 823 CA PRO A 54 -8.018 -5.206 -1.523 1.00 1.00 C ATOM 824 C PRO A 54 -7.236 -5.315 -2.842 1.00 1.02 C ATOM 825 O PRO A 54 -6.180 -4.686 -2.943 1.00 1.11 O ATOM 826 CB PRO A 54 -7.835 -6.419 -0.603 1.00 1.28 C ATOM 827 CG PRO A 54 -9.203 -7.098 -0.572 1.00 1.26 C ATOM 828 CD PRO A 54 -10.185 -5.971 -0.875 1.00 1.09 C ATOM 0 HA PRO A 54 -7.574 -4.315 -1.080 1.00 1.00 H new ATOM 0 HB2 PRO A 54 -7.068 -7.093 -0.985 1.00 1.28 H new ATOM 0 HB3 PRO A 54 -7.522 -6.114 0.396 1.00 1.28 H new ATOM 0 HG2 PRO A 54 -9.269 -7.895 -1.313 1.00 1.26 H new ATOM 0 HG3 PRO A 54 -9.402 -7.549 0.400 1.00 1.26 H new ATOM 0 HD2 PRO A 54 -11.049 -6.345 -1.424 1.00 1.09 H new ATOM 0 HD3 PRO A 54 -10.561 -5.525 0.046 1.00 1.09 H new ATOM 836 N PRO A 55 -7.684 -6.067 -3.867 1.00 1.03 N ATOM 837 CA PRO A 55 -6.956 -6.105 -5.123 1.00 1.06 C ATOM 838 C PRO A 55 -6.772 -4.709 -5.713 1.00 0.98 C ATOM 839 O PRO A 55 -5.704 -4.433 -6.248 1.00 1.21 O ATOM 840 CB PRO A 55 -7.724 -7.045 -6.057 1.00 1.12 C ATOM 841 CG PRO A 55 -9.124 -7.084 -5.454 1.00 1.10 C ATOM 842 CD PRO A 55 -8.847 -6.941 -3.960 1.00 1.11 C ATOM 0 HA PRO A 55 -5.944 -6.480 -4.972 1.00 1.06 H new ATOM 0 HB2 PRO A 55 -7.738 -6.670 -7.080 1.00 1.12 H new ATOM 0 HB3 PRO A 55 -7.273 -8.037 -6.088 1.00 1.12 H new ATOM 0 HG2 PRO A 55 -9.750 -6.274 -5.830 1.00 1.10 H new ATOM 0 HG3 PRO A 55 -9.638 -8.017 -5.683 1.00 1.10 H new ATOM 0 HD2 PRO A 55 -9.704 -6.512 -3.440 1.00 1.11 H new ATOM 0 HD3 PRO A 55 -8.649 -7.910 -3.502 1.00 1.11 H new ATOM 850 N MET A 56 -7.761 -3.812 -5.603 1.00 0.74 N ATOM 851 CA MET A 56 -7.613 -2.489 -6.192 1.00 0.70 C ATOM 852 C MET A 56 -6.510 -1.709 -5.473 1.00 0.68 C ATOM 853 O MET A 56 -5.727 -1.012 -6.116 1.00 0.74 O ATOM 854 CB MET A 56 -8.952 -1.747 -6.220 1.00 0.70 C ATOM 855 CG MET A 56 -9.950 -2.482 -7.126 1.00 1.24 C ATOM 856 SD MET A 56 -11.522 -1.631 -7.414 1.00 2.14 S ATOM 857 CE MET A 56 -12.260 -2.753 -8.621 1.00 3.29 C ATOM 0 H MET A 56 -8.646 -3.977 -5.124 1.00 0.74 H new ATOM 0 HA MET A 56 -7.303 -2.593 -7.232 1.00 0.70 H new ATOM 0 HB2 MET A 56 -9.355 -1.671 -5.210 1.00 0.70 H new ATOM 0 HB3 MET A 56 -8.804 -0.729 -6.581 1.00 0.70 H new ATOM 0 HG2 MET A 56 -9.473 -2.662 -8.090 1.00 1.24 H new ATOM 0 HG3 MET A 56 -10.161 -3.457 -6.687 1.00 1.24 H new ATOM 0 HE1 MET A 56 -13.242 -2.380 -8.912 1.00 3.29 H new ATOM 0 HE2 MET A 56 -11.619 -2.814 -9.501 1.00 3.29 H new ATOM 0 HE3 MET A 56 -12.365 -3.744 -8.180 1.00 3.29 H new ATOM 867 N ILE A 57 -6.396 -1.876 -4.151 1.00 0.66 N ATOM 868 CA ILE A 57 -5.262 -1.341 -3.402 1.00 0.71 C ATOM 869 C ILE A 57 -3.950 -1.837 -4.025 1.00 0.62 C ATOM 870 O ILE A 57 -3.085 -1.034 -4.373 1.00 0.68 O ATOM 871 CB ILE A 57 -5.356 -1.682 -1.900 1.00 0.86 C ATOM 872 CG1 ILE A 57 -6.738 -1.282 -1.361 1.00 0.97 C ATOM 873 CG2 ILE A 57 -4.254 -0.943 -1.129 1.00 1.98 C ATOM 874 CD1 ILE A 57 -6.905 -1.468 0.148 1.00 1.24 C ATOM 0 H ILE A 57 -7.077 -2.378 -3.581 1.00 0.66 H new ATOM 0 HA ILE A 57 -5.283 -0.253 -3.467 1.00 0.71 H new ATOM 0 HB ILE A 57 -5.222 -2.755 -1.766 1.00 0.86 H new ATOM 0 HG12 ILE A 57 -6.923 -0.237 -1.609 1.00 0.97 H new ATOM 0 HG13 ILE A 57 -7.499 -1.870 -1.874 1.00 0.97 H new ATOM 0 HG21 ILE A 57 -4.325 -1.187 -0.069 1.00 1.98 H new ATOM 0 HG22 ILE A 57 -3.278 -1.248 -1.507 1.00 1.98 H new ATOM 0 HG23 ILE A 57 -4.375 0.132 -1.262 1.00 1.98 H new ATOM 0 HD11 ILE A 57 -7.909 -1.162 0.443 1.00 1.24 H new ATOM 0 HD12 ILE A 57 -6.755 -2.517 0.404 1.00 1.24 H new ATOM 0 HD13 ILE A 57 -6.170 -0.858 0.673 1.00 1.24 H new ATOM 886 N ALA A 58 -3.799 -3.157 -4.178 1.00 0.55 N ATOM 887 CA ALA A 58 -2.601 -3.739 -4.777 1.00 0.58 C ATOM 888 C ALA A 58 -2.321 -3.162 -6.173 1.00 0.57 C ATOM 889 O ALA A 58 -1.200 -2.724 -6.449 1.00 0.66 O ATOM 890 CB ALA A 58 -2.717 -5.266 -4.808 1.00 0.66 C ATOM 0 H ALA A 58 -4.498 -3.843 -3.892 1.00 0.55 H new ATOM 0 HA ALA A 58 -1.746 -3.472 -4.156 1.00 0.58 H new ATOM 0 HB1 ALA A 58 -1.819 -5.690 -5.257 1.00 0.66 H new ATOM 0 HB2 ALA A 58 -2.828 -5.643 -3.791 1.00 0.66 H new ATOM 0 HB3 ALA A 58 -3.587 -5.553 -5.398 1.00 0.66 H new ATOM 896 N GLU A 59 -3.329 -3.155 -7.054 1.00 0.55 N ATOM 897 CA GLU A 59 -3.248 -2.547 -8.373 1.00 0.55 C ATOM 898 C GLU A 59 -2.659 -1.138 -8.264 1.00 0.65 C ATOM 899 O GLU A 59 -1.645 -0.844 -8.891 1.00 0.71 O ATOM 900 CB GLU A 59 -4.643 -2.485 -9.002 1.00 0.70 C ATOM 901 CG GLU A 59 -5.292 -3.847 -9.317 1.00 0.97 C ATOM 902 CD GLU A 59 -4.952 -4.393 -10.693 1.00 1.11 C ATOM 903 OE1 GLU A 59 -4.999 -3.625 -11.670 1.00 2.27 O ATOM 904 OE2 GLU A 59 -4.581 -5.588 -10.752 1.00 1.50 O ATOM 0 H GLU A 59 -4.235 -3.581 -6.860 1.00 0.55 H new ATOM 0 HA GLU A 59 -2.599 -3.152 -9.006 1.00 0.55 H new ATOM 0 HB2 GLU A 59 -5.301 -1.936 -8.329 1.00 0.70 H new ATOM 0 HB3 GLU A 59 -4.580 -1.910 -9.926 1.00 0.70 H new ATOM 0 HG2 GLU A 59 -4.978 -4.570 -8.564 1.00 0.97 H new ATOM 0 HG3 GLU A 59 -6.374 -3.749 -9.234 1.00 0.97 H new ATOM 911 N PHE A 60 -3.270 -0.293 -7.424 1.00 0.72 N ATOM 912 CA PHE A 60 -2.842 1.080 -7.177 1.00 0.79 C ATOM 913 C PHE A 60 -1.330 1.193 -6.966 1.00 0.80 C ATOM 914 O PHE A 60 -0.706 2.156 -7.404 1.00 0.89 O ATOM 915 CB PHE A 60 -3.580 1.651 -5.953 1.00 0.87 C ATOM 916 CG PHE A 60 -4.186 3.015 -6.192 1.00 0.82 C ATOM 917 CD1 PHE A 60 -3.357 4.141 -6.347 1.00 2.34 C ATOM 918 CD2 PHE A 60 -5.579 3.144 -6.344 1.00 1.52 C ATOM 919 CE1 PHE A 60 -3.922 5.397 -6.627 1.00 2.33 C ATOM 920 CE2 PHE A 60 -6.140 4.394 -6.645 1.00 1.59 C ATOM 921 CZ PHE A 60 -5.315 5.526 -6.771 1.00 0.91 C ATOM 0 H PHE A 60 -4.096 -0.557 -6.886 1.00 0.72 H new ATOM 0 HA PHE A 60 -3.092 1.658 -8.067 1.00 0.79 H new ATOM 0 HB2 PHE A 60 -4.369 0.959 -5.660 1.00 0.87 H new ATOM 0 HB3 PHE A 60 -2.884 1.714 -5.117 1.00 0.87 H new ATOM 0 HD1 PHE A 60 -2.286 4.040 -6.251 1.00 2.34 H new ATOM 0 HD2 PHE A 60 -6.217 2.280 -6.229 1.00 1.52 H new ATOM 0 HE1 PHE A 60 -3.286 6.264 -6.732 1.00 2.33 H new ATOM 0 HE2 PHE A 60 -7.207 4.487 -6.780 1.00 1.59 H new ATOM 0 HZ PHE A 60 -5.750 6.492 -6.978 1.00 0.91 H new ATOM 931 N ILE A 61 -0.742 0.235 -6.247 1.00 0.77 N ATOM 932 CA ILE A 61 0.691 0.221 -6.005 1.00 0.78 C ATOM 933 C ILE A 61 1.414 -0.176 -7.290 1.00 0.72 C ATOM 934 O ILE A 61 2.377 0.468 -7.702 1.00 0.71 O ATOM 935 CB ILE A 61 1.028 -0.699 -4.820 1.00 0.84 C ATOM 936 CG1 ILE A 61 0.255 -0.252 -3.568 1.00 0.84 C ATOM 937 CG2 ILE A 61 2.536 -0.632 -4.560 1.00 0.84 C ATOM 938 CD1 ILE A 61 0.389 -1.227 -2.399 1.00 1.22 C ATOM 0 H ILE A 61 -1.245 -0.544 -5.822 1.00 0.77 H new ATOM 0 HA ILE A 61 1.035 1.217 -5.726 1.00 0.78 H new ATOM 0 HB ILE A 61 0.739 -1.724 -5.054 1.00 0.84 H new ATOM 0 HG12 ILE A 61 0.615 0.729 -3.258 1.00 0.84 H new ATOM 0 HG13 ILE A 61 -0.799 -0.140 -3.820 1.00 0.84 H new ATOM 0 HG21 ILE A 61 2.790 -1.280 -3.721 1.00 0.84 H new ATOM 0 HG22 ILE A 61 3.074 -0.962 -5.449 1.00 0.84 H new ATOM 0 HG23 ILE A 61 2.819 0.394 -4.324 1.00 0.84 H new ATOM 0 HD11 ILE A 61 -0.179 -0.854 -1.547 1.00 1.22 H new ATOM 0 HD12 ILE A 61 0.003 -2.203 -2.693 1.00 1.22 H new ATOM 0 HD13 ILE A 61 1.439 -1.321 -2.122 1.00 1.22 H new ATOM 950 N ARG A 62 0.956 -1.254 -7.923 1.00 0.71 N ATOM 951 CA ARG A 62 1.550 -1.737 -9.159 1.00 0.69 C ATOM 952 C ARG A 62 1.550 -0.684 -10.270 1.00 0.71 C ATOM 953 O ARG A 62 2.437 -0.730 -11.119 1.00 0.88 O ATOM 954 CB ARG A 62 0.854 -3.022 -9.603 1.00 0.65 C ATOM 955 CG ARG A 62 1.297 -4.210 -8.735 1.00 1.01 C ATOM 956 CD ARG A 62 0.237 -5.314 -8.740 1.00 1.02 C ATOM 957 NE ARG A 62 -0.312 -5.517 -10.092 1.00 1.67 N ATOM 958 CZ ARG A 62 -1.613 -5.703 -10.356 1.00 2.82 C ATOM 959 NH1 ARG A 62 -2.447 -6.092 -9.391 1.00 2.93 N ATOM 960 NH2 ARG A 62 -2.104 -5.484 -11.578 1.00 4.54 N ATOM 0 H ARG A 62 0.168 -1.811 -7.593 1.00 0.71 H new ATOM 0 HA ARG A 62 2.599 -1.954 -8.957 1.00 0.69 H new ATOM 0 HB2 ARG A 62 -0.227 -2.898 -9.534 1.00 0.65 H new ATOM 0 HB3 ARG A 62 1.085 -3.224 -10.649 1.00 0.65 H new ATOM 0 HG2 ARG A 62 2.242 -4.606 -9.108 1.00 1.01 H new ATOM 0 HG3 ARG A 62 1.473 -3.874 -7.713 1.00 1.01 H new ATOM 0 HD2 ARG A 62 0.675 -6.244 -8.379 1.00 1.02 H new ATOM 0 HD3 ARG A 62 -0.568 -5.053 -8.053 1.00 1.02 H new ATOM 0 HE ARG A 62 0.339 -5.516 -10.877 1.00 1.67 H new ATOM 0 HH11 ARG A 62 -2.096 -6.250 -8.446 1.00 2.93 H new ATOM 0 HH12 ARG A 62 -3.436 -6.232 -9.597 1.00 2.93 H new ATOM 0 HH21 ARG A 62 -1.487 -5.170 -12.327 1.00 4.54 H new ATOM 0 HH22 ARG A 62 -3.096 -5.630 -11.763 1.00 4.54 H new ATOM 974 N GLU A 63 0.608 0.267 -10.267 1.00 0.62 N ATOM 975 CA GLU A 63 0.586 1.363 -11.234 1.00 0.62 C ATOM 976 C GLU A 63 1.962 2.014 -11.431 1.00 0.56 C ATOM 977 O GLU A 63 2.360 2.257 -12.568 1.00 0.62 O ATOM 978 CB GLU A 63 -0.454 2.423 -10.841 1.00 0.68 C ATOM 979 CG GLU A 63 -1.899 1.929 -10.992 1.00 2.33 C ATOM 980 CD GLU A 63 -2.253 1.661 -12.450 1.00 3.77 C ATOM 981 OE1 GLU A 63 -2.501 2.659 -13.160 1.00 3.73 O ATOM 982 OE2 GLU A 63 -2.240 0.472 -12.831 1.00 5.40 O ATOM 0 H GLU A 63 -0.158 0.295 -9.594 1.00 0.62 H new ATOM 0 HA GLU A 63 0.302 0.922 -12.189 1.00 0.62 H new ATOM 0 HB2 GLU A 63 -0.285 2.724 -9.807 1.00 0.68 H new ATOM 0 HB3 GLU A 63 -0.312 3.310 -11.459 1.00 0.68 H new ATOM 0 HG2 GLU A 63 -2.034 1.017 -10.411 1.00 2.33 H new ATOM 0 HG3 GLU A 63 -2.583 2.672 -10.582 1.00 2.33 H new ATOM 989 N LEU A 64 2.721 2.280 -10.357 1.00 0.69 N ATOM 990 CA LEU A 64 4.040 2.896 -10.488 1.00 0.88 C ATOM 991 C LEU A 64 5.145 1.845 -10.688 1.00 1.02 C ATOM 992 O LEU A 64 6.309 2.096 -10.381 1.00 1.45 O ATOM 993 CB LEU A 64 4.301 3.822 -9.293 1.00 1.56 C ATOM 994 CG LEU A 64 4.166 3.078 -7.957 1.00 0.87 C ATOM 995 CD1 LEU A 64 5.361 3.362 -7.060 1.00 1.59 C ATOM 996 CD2 LEU A 64 2.872 3.474 -7.234 1.00 2.19 C ATOM 0 H LEU A 64 2.442 2.078 -9.397 1.00 0.69 H new ATOM 0 HA LEU A 64 4.057 3.508 -11.390 1.00 0.88 H new ATOM 0 HB2 LEU A 64 5.302 4.246 -9.373 1.00 1.56 H new ATOM 0 HB3 LEU A 64 3.598 4.655 -9.318 1.00 1.56 H new ATOM 0 HG LEU A 64 4.131 2.011 -8.176 1.00 0.87 H new ATOM 0 HD11 LEU A 64 5.245 2.825 -6.119 1.00 1.59 H new ATOM 0 HD12 LEU A 64 6.274 3.033 -7.555 1.00 1.59 H new ATOM 0 HD13 LEU A 64 5.421 4.432 -6.862 1.00 1.59 H new ATOM 0 HD21 LEU A 64 2.802 2.932 -6.291 1.00 2.19 H new ATOM 0 HD22 LEU A 64 2.879 4.546 -7.037 1.00 2.19 H new ATOM 0 HD23 LEU A 64 2.015 3.225 -7.860 1.00 2.19 H new ATOM 1008 N GLY A 65 4.796 0.663 -11.201 1.00 1.00 N ATOM 1009 CA GLY A 65 5.737 -0.374 -11.598 1.00 1.21 C ATOM 1010 C GLY A 65 6.313 -1.155 -10.417 1.00 0.99 C ATOM 1011 O GLY A 65 7.244 -1.935 -10.598 1.00 0.98 O ATOM 0 H GLY A 65 3.823 0.399 -11.354 1.00 1.00 H new ATOM 0 HA2 GLY A 65 5.238 -1.068 -12.274 1.00 1.21 H new ATOM 0 HA3 GLY A 65 6.555 0.082 -12.156 1.00 1.21 H new ATOM 1015 N PHE A 66 5.774 -0.965 -9.209 1.00 1.03 N ATOM 1016 CA PHE A 66 6.292 -1.614 -8.013 1.00 1.10 C ATOM 1017 C PHE A 66 5.712 -3.018 -7.863 1.00 1.01 C ATOM 1018 O PHE A 66 4.501 -3.219 -7.943 1.00 1.11 O ATOM 1019 CB PHE A 66 6.031 -0.742 -6.773 1.00 1.22 C ATOM 1020 CG PHE A 66 7.217 0.132 -6.406 1.00 1.20 C ATOM 1021 CD1 PHE A 66 7.934 0.796 -7.419 1.00 1.67 C ATOM 1022 CD2 PHE A 66 7.744 0.087 -5.102 1.00 2.51 C ATOM 1023 CE1 PHE A 66 9.231 1.271 -7.168 1.00 1.90 C ATOM 1024 CE2 PHE A 66 9.032 0.584 -4.844 1.00 2.90 C ATOM 1025 CZ PHE A 66 9.800 1.119 -5.892 1.00 2.12 C ATOM 0 H PHE A 66 4.971 -0.360 -9.039 1.00 1.03 H new ATOM 0 HA PHE A 66 7.372 -1.725 -8.112 1.00 1.10 H new ATOM 0 HB2 PHE A 66 5.163 -0.109 -6.956 1.00 1.22 H new ATOM 0 HB3 PHE A 66 5.784 -1.385 -5.928 1.00 1.22 H new ATOM 0 HD1 PHE A 66 7.486 0.940 -8.391 1.00 1.67 H new ATOM 0 HD2 PHE A 66 7.157 -0.331 -4.298 1.00 2.51 H new ATOM 0 HE1 PHE A 66 9.791 1.753 -7.955 1.00 1.90 H new ATOM 0 HE2 PHE A 66 9.432 0.555 -3.841 1.00 2.90 H new ATOM 0 HZ PHE A 66 10.825 1.413 -5.717 1.00 2.12 H new ATOM 1035 N GLY A 67 6.579 -3.990 -7.575 1.00 0.90 N ATOM 1036 CA GLY A 67 6.170 -5.367 -7.386 1.00 0.94 C ATOM 1037 C GLY A 67 5.615 -5.493 -5.974 1.00 0.78 C ATOM 1038 O GLY A 67 6.324 -5.842 -5.031 1.00 0.86 O ATOM 0 H GLY A 67 7.582 -3.837 -7.468 1.00 0.90 H new ATOM 0 HA2 GLY A 67 5.415 -5.646 -8.121 1.00 0.94 H new ATOM 0 HA3 GLY A 67 7.016 -6.040 -7.527 1.00 0.94 H new ATOM 1042 N ALA A 68 4.332 -5.160 -5.841 1.00 0.64 N ATOM 1043 CA ALA A 68 3.594 -5.297 -4.600 1.00 0.50 C ATOM 1044 C ALA A 68 3.109 -6.737 -4.457 1.00 0.42 C ATOM 1045 O ALA A 68 2.717 -7.360 -5.442 1.00 0.54 O ATOM 1046 CB ALA A 68 2.407 -4.334 -4.602 1.00 0.55 C ATOM 0 H ALA A 68 3.774 -4.783 -6.607 1.00 0.64 H new ATOM 0 HA ALA A 68 4.241 -5.055 -3.757 1.00 0.50 H new ATOM 0 HB1 ALA A 68 1.853 -4.438 -3.669 1.00 0.55 H new ATOM 0 HB2 ALA A 68 2.769 -3.310 -4.697 1.00 0.55 H new ATOM 0 HB3 ALA A 68 1.751 -4.566 -5.441 1.00 0.55 H new ATOM 1052 N THR A 69 3.109 -7.253 -3.229 1.00 0.51 N ATOM 1053 CA THR A 69 2.487 -8.517 -2.874 1.00 0.55 C ATOM 1054 C THR A 69 1.728 -8.273 -1.574 1.00 0.63 C ATOM 1055 O THR A 69 2.197 -7.503 -0.735 1.00 0.76 O ATOM 1056 CB THR A 69 3.502 -9.660 -2.834 1.00 0.66 C ATOM 1057 OG1 THR A 69 2.842 -10.872 -2.536 1.00 1.34 O ATOM 1058 CG2 THR A 69 4.577 -9.392 -1.795 1.00 1.08 C ATOM 0 H THR A 69 3.554 -6.788 -2.437 1.00 0.51 H new ATOM 0 HA THR A 69 1.778 -8.854 -3.630 1.00 0.55 H new ATOM 0 HB THR A 69 3.978 -9.734 -3.812 1.00 0.66 H new ATOM 0 HG1 THR A 69 3.495 -11.603 -2.513 1.00 1.34 H new ATOM 0 HG21 THR A 69 5.287 -10.219 -1.785 1.00 1.08 H new ATOM 0 HG22 THR A 69 5.099 -8.468 -2.042 1.00 1.08 H new ATOM 0 HG23 THR A 69 4.117 -9.297 -0.811 1.00 1.08 H new ATOM 1066 N VAL A 70 0.520 -8.826 -1.462 1.00 0.97 N ATOM 1067 CA VAL A 70 -0.500 -8.364 -0.535 1.00 0.87 C ATOM 1068 C VAL A 70 -0.946 -9.511 0.370 1.00 0.91 C ATOM 1069 O VAL A 70 -1.069 -10.648 -0.082 1.00 1.21 O ATOM 1070 CB VAL A 70 -1.641 -7.725 -1.346 1.00 0.93 C ATOM 1071 CG1 VAL A 70 -2.436 -8.747 -2.166 1.00 1.12 C ATOM 1072 CG2 VAL A 70 -2.619 -6.963 -0.448 1.00 0.85 C ATOM 0 H VAL A 70 0.223 -9.622 -2.026 1.00 0.97 H new ATOM 0 HA VAL A 70 -0.111 -7.598 0.136 1.00 0.87 H new ATOM 0 HB VAL A 70 -1.149 -7.034 -2.030 1.00 0.93 H new ATOM 0 HG11 VAL A 70 -3.226 -8.236 -2.716 1.00 1.12 H new ATOM 0 HG12 VAL A 70 -1.770 -9.247 -2.869 1.00 1.12 H new ATOM 0 HG13 VAL A 70 -2.878 -9.485 -1.497 1.00 1.12 H new ATOM 0 HG21 VAL A 70 -3.409 -6.527 -1.059 1.00 0.85 H new ATOM 0 HG22 VAL A 70 -3.057 -7.649 0.277 1.00 0.85 H new ATOM 0 HG23 VAL A 70 -2.088 -6.170 0.078 1.00 0.85 H new ATOM 1082 N ILE A 71 -1.159 -9.207 1.650 1.00 0.73 N ATOM 1083 CA ILE A 71 -1.579 -10.139 2.680 1.00 0.93 C ATOM 1084 C ILE A 71 -2.710 -9.459 3.452 1.00 0.80 C ATOM 1085 O ILE A 71 -2.484 -8.743 4.429 1.00 1.11 O ATOM 1086 CB ILE A 71 -0.394 -10.512 3.590 1.00 1.41 C ATOM 1087 CG1 ILE A 71 0.806 -11.025 2.769 1.00 1.17 C ATOM 1088 CG2 ILE A 71 -0.836 -11.560 4.624 1.00 3.30 C ATOM 1089 CD1 ILE A 71 2.011 -11.404 3.634 1.00 1.63 C ATOM 0 H ILE A 71 -1.036 -8.259 2.007 1.00 0.73 H new ATOM 0 HA ILE A 71 -1.933 -11.077 2.252 1.00 0.93 H new ATOM 0 HB ILE A 71 -0.070 -9.613 4.115 1.00 1.41 H new ATOM 0 HG12 ILE A 71 0.496 -11.894 2.189 1.00 1.17 H new ATOM 0 HG13 ILE A 71 1.106 -10.256 2.057 1.00 1.17 H new ATOM 0 HG21 ILE A 71 0.008 -11.818 5.264 1.00 3.30 H new ATOM 0 HG22 ILE A 71 -1.642 -11.152 5.234 1.00 3.30 H new ATOM 0 HG23 ILE A 71 -1.188 -12.454 4.109 1.00 3.30 H new ATOM 0 HD11 ILE A 71 2.821 -11.757 2.995 1.00 1.63 H new ATOM 0 HD12 ILE A 71 2.345 -10.531 4.195 1.00 1.63 H new ATOM 0 HD13 ILE A 71 1.726 -12.194 4.329 1.00 1.63 H new ATOM 1101 N GLU A 72 -3.938 -9.688 2.994 1.00 1.65 N ATOM 1102 CA GLU A 72 -5.122 -9.330 3.752 1.00 2.08 C ATOM 1103 C GLU A 72 -5.173 -10.236 4.983 1.00 1.59 C ATOM 1104 O GLU A 72 -4.997 -11.446 4.861 1.00 2.26 O ATOM 1105 CB GLU A 72 -6.368 -9.476 2.873 1.00 3.27 C ATOM 1106 CG GLU A 72 -7.605 -8.946 3.607 1.00 4.52 C ATOM 1107 CD GLU A 72 -8.832 -8.892 2.707 1.00 5.70 C ATOM 1108 OE1 GLU A 72 -8.876 -9.683 1.742 1.00 6.03 O ATOM 1109 OE2 GLU A 72 -9.695 -8.036 3.000 1.00 6.58 O ATOM 0 H GLU A 72 -4.134 -10.124 2.093 1.00 1.65 H new ATOM 0 HA GLU A 72 -5.088 -8.290 4.076 1.00 2.08 H new ATOM 0 HB2 GLU A 72 -6.229 -8.929 1.940 1.00 3.27 H new ATOM 0 HB3 GLU A 72 -6.514 -10.524 2.610 1.00 3.27 H new ATOM 0 HG2 GLU A 72 -7.815 -9.583 4.466 1.00 4.52 H new ATOM 0 HG3 GLU A 72 -7.396 -7.948 3.993 1.00 4.52 H new ATOM 1116 N ASN A 73 -5.368 -9.651 6.167 1.00 1.87 N ATOM 1117 CA ASN A 73 -5.333 -10.401 7.415 1.00 2.43 C ATOM 1118 C ASN A 73 -6.701 -11.021 7.684 1.00 2.39 C ATOM 1119 O ASN A 73 -6.832 -12.239 7.751 1.00 3.01 O ATOM 1120 CB ASN A 73 -4.877 -9.501 8.571 1.00 3.56 C ATOM 1121 CG ASN A 73 -3.431 -9.055 8.381 1.00 4.40 C ATOM 1122 OD1 ASN A 73 -2.501 -9.801 8.670 1.00 4.74 O ATOM 1123 ND2 ASN A 73 -3.223 -7.839 7.887 1.00 5.63 N ATOM 0 H ASN A 73 -5.552 -8.655 6.283 1.00 1.87 H new ATOM 0 HA ASN A 73 -4.607 -11.210 7.330 1.00 2.43 H new ATOM 0 HB2 ASN A 73 -5.525 -8.627 8.633 1.00 3.56 H new ATOM 0 HB3 ASN A 73 -4.974 -10.038 9.515 1.00 3.56 H new ATOM 0 HD21 ASN A 73 -2.271 -7.505 7.739 1.00 5.63 H new ATOM 0 HD22 ASN A 73 -4.016 -7.240 7.656 1.00 5.63 H new ATOM 1130 N ILE A 74 -7.714 -10.169 7.860 1.00 2.70 N ATOM 1131 CA ILE A 74 -9.092 -10.518 8.174 1.00 2.98 C ATOM 1132 C ILE A 74 -9.871 -9.208 8.176 1.00 2.93 C ATOM 1133 O ILE A 74 -9.270 -8.135 8.234 1.00 3.19 O ATOM 1134 CB ILE A 74 -9.195 -11.272 9.519 1.00 3.43 C ATOM 1135 CG1 ILE A 74 -10.640 -11.640 9.906 1.00 5.02 C ATOM 1136 CG2 ILE A 74 -8.499 -10.512 10.659 1.00 3.91 C ATOM 1137 CD1 ILE A 74 -10.706 -12.734 10.977 1.00 5.80 C ATOM 0 H ILE A 74 -7.581 -9.161 7.782 1.00 2.70 H new ATOM 0 HA ILE A 74 -9.507 -11.205 7.437 1.00 2.98 H new ATOM 0 HB ILE A 74 -8.666 -12.212 9.364 1.00 3.43 H new ATOM 0 HG12 ILE A 74 -11.152 -10.749 10.270 1.00 5.02 H new ATOM 0 HG13 ILE A 74 -11.176 -11.974 9.018 1.00 5.02 H new ATOM 0 HG21 ILE A 74 -8.596 -11.078 11.586 1.00 3.91 H new ATOM 0 HG22 ILE A 74 -7.443 -10.385 10.420 1.00 3.91 H new ATOM 0 HG23 ILE A 74 -8.964 -9.534 10.781 1.00 3.91 H new ATOM 0 HD11 ILE A 74 -11.748 -12.952 11.210 1.00 5.80 H new ATOM 0 HD12 ILE A 74 -10.220 -13.636 10.606 1.00 5.80 H new ATOM 0 HD13 ILE A 74 -10.197 -12.392 11.878 1.00 5.80 H new ATOM 1149 N GLU A 75 -11.201 -9.288 8.138 1.00 3.06 N ATOM 1150 CA GLU A 75 -12.064 -8.121 7.985 1.00 3.26 C ATOM 1151 C GLU A 75 -12.121 -7.222 9.230 1.00 3.45 C ATOM 1152 O GLU A 75 -12.781 -6.181 9.213 1.00 4.90 O ATOM 1153 CB GLU A 75 -13.473 -8.560 7.552 1.00 3.56 C ATOM 1154 CG GLU A 75 -14.102 -7.548 6.584 1.00 4.37 C ATOM 1155 CD GLU A 75 -15.618 -7.519 6.702 1.00 5.15 C ATOM 1156 OE1 GLU A 75 -16.223 -8.606 6.679 1.00 5.10 O ATOM 1157 OE2 GLU A 75 -16.133 -6.389 6.878 1.00 6.29 O ATOM 0 H GLU A 75 -11.710 -10.169 8.213 1.00 3.06 H new ATOM 0 HA GLU A 75 -11.618 -7.505 7.204 1.00 3.26 H new ATOM 0 HB2 GLU A 75 -13.420 -9.538 7.074 1.00 3.56 H new ATOM 0 HB3 GLU A 75 -14.108 -8.668 8.431 1.00 3.56 H new ATOM 0 HG2 GLU A 75 -13.703 -6.554 6.787 1.00 4.37 H new ATOM 0 HG3 GLU A 75 -13.822 -7.801 5.561 1.00 4.37 H new ATOM 1164 N GLY A 76 -11.441 -7.609 10.307 1.00 2.99 N ATOM 1165 CA GLY A 76 -11.385 -6.856 11.551 1.00 3.67 C ATOM 1166 C GLY A 76 -10.840 -7.721 12.685 1.00 4.51 C ATOM 1167 O GLY A 76 -11.475 -8.701 13.065 1.00 5.46 O ATOM 0 H GLY A 76 -10.903 -8.475 10.336 1.00 2.99 H new ATOM 0 HA2 GLY A 76 -10.753 -5.978 11.421 1.00 3.67 H new ATOM 0 HA3 GLY A 76 -12.381 -6.496 11.809 1.00 3.67 H new ATOM 1171 N ARG A 77 -9.676 -7.351 13.222 1.00 5.05 N ATOM 1172 CA ARG A 77 -9.120 -7.796 14.487 1.00 6.37 C ATOM 1173 C ARG A 77 -8.243 -6.636 14.959 1.00 7.62 C ATOM 1174 O ARG A 77 -8.071 -5.703 14.139 1.00 8.06 O ATOM 1175 CB ARG A 77 -8.267 -9.064 14.331 1.00 6.96 C ATOM 1176 CG ARG A 77 -9.106 -10.348 14.316 1.00 7.24 C ATOM 1177 CD ARG A 77 -8.211 -11.589 14.429 1.00 8.28 C ATOM 1178 NE ARG A 77 -7.533 -11.638 15.735 1.00 9.32 N ATOM 1179 CZ ARG A 77 -6.586 -12.524 16.080 1.00 10.66 C ATOM 1180 NH1 ARG A 77 -6.231 -13.486 15.221 1.00 11.26 N ATOM 1181 NH2 ARG A 77 -6.001 -12.444 17.281 1.00 11.72 N ATOM 1182 OXT ARG A 77 -7.757 -6.715 16.107 1.00 8.51 O ATOM 0 H ARG A 77 -9.062 -6.689 12.748 1.00 5.05 H new ATOM 0 HA ARG A 77 -9.912 -8.050 15.192 1.00 6.37 H new ATOM 0 HB2 ARG A 77 -7.694 -8.999 13.406 1.00 6.96 H new ATOM 0 HB3 ARG A 77 -7.548 -9.115 15.148 1.00 6.96 H new ATOM 0 HG2 ARG A 77 -9.818 -10.332 15.142 1.00 7.24 H new ATOM 0 HG3 ARG A 77 -9.687 -10.397 13.395 1.00 7.24 H new ATOM 0 HD2 ARG A 77 -8.812 -12.488 14.294 1.00 8.28 H new ATOM 0 HD3 ARG A 77 -7.469 -11.579 13.631 1.00 8.28 H new ATOM 0 HE ARG A 77 -7.804 -10.944 16.432 1.00 9.32 H new ATOM 0 HH11 ARG A 77 -6.680 -13.545 14.307 1.00 11.26 H new ATOM 0 HH12 ARG A 77 -5.512 -14.161 15.480 1.00 11.26 H new ATOM 0 HH21 ARG A 77 -6.275 -11.710 17.934 1.00 11.72 H new ATOM 0 HH22 ARG A 77 -5.281 -13.117 17.544 1.00 11.72 H new TER 1196 ARG A 77