USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 833 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 2 GLN : amide:sc= 0 X(o=-1,f=-1.4) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -1.03! C(o=-1!,f=-3.1!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00482) USER MOD Set 2.2: A 83 SER OG : rot -100:sc= -1.12 USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= 0.0586 USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 57 ASN : amide:sc= 0.902 K(o=1.9,f=-1.6) USER MOD Set 4.2: A 90 THR OG1 : rot -73:sc= 0.962 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0986 (180deg=-0.5) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0679 (180deg=-0.081) USER MOD Single : A 6 THR OG1 : rot 81:sc= 1.31 USER MOD Single : A 8 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.15) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0554 (180deg=-0.302) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.602) USER MOD Single : A 11 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.7!) USER MOD Single : A 13 THR OG1 : rot -116:sc= 0.0355 USER MOD Single : A 14 ASN : amide:sc=-0.00425 X(o=-0.0042,f=-0.015) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.000725 K(o=-0.00073,f=-1.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 27 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.1) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= -1.93 (180deg=-5.72!) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0345) USER MOD Single : A 35 ASN : amide:sc= 1.78 K(o=1.8,f=-0.0094) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -3:sc= 0.967 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc=-0.00127 (180deg=-0.0828) USER MOD Single : A 55 SER OG : rot 117:sc= 0.979 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0417 (180deg=-0.374) USER MOD Single : A 60 THR OG1 : rot 115:sc= 0.386 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -118:sc= 1.23 USER MOD Single : A 70 ASN : amide:sc= 1.19 K(o=1.2,f=-0.029) USER MOD Single : A 72 THR OG1 : rot -69:sc= 0.562 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.748) USER MOD Single : A 78 TYR OH : rot 150:sc= -2.77! USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0961) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.125 K(o=0.13,f=-6.6!) USER MOD Single : A 86 LYS NZ :NH3+ 134:sc= 1.15 (180deg=0.767) USER MOD Single : A 93 ASN : amide:sc= -0.16 K(o=-0.16,f=-3.2!) USER MOD Single : A 94 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.117 13.820 5.859 1.00 2.73 N ATOM 2 CA MET A 1 -6.858 14.019 5.103 1.00 1.99 C ATOM 3 C MET A 1 -6.524 12.768 4.304 1.00 1.53 C ATOM 4 O MET A 1 -6.993 11.680 4.633 1.00 2.16 O ATOM 5 CB MET A 1 -5.698 14.354 6.049 1.00 2.50 C ATOM 6 CG MET A 1 -5.869 15.672 6.790 1.00 3.10 C ATOM 7 SD MET A 1 -4.477 16.051 7.882 1.00 4.10 S ATOM 8 CE MET A 1 -3.151 16.259 6.696 1.00 4.70 C ATOM 0 H1 MET A 1 -8.794 14.570 5.610 1.00 2.73 H new ATOM 0 H2 MET A 1 -8.523 12.893 5.619 1.00 2.73 H new ATOM 0 H3 MET A 1 -7.919 13.857 6.879 1.00 2.73 H new ATOM 0 HA MET A 1 -7.001 14.856 4.420 1.00 1.99 H new ATOM 0 HB2 MET A 1 -5.592 13.550 6.777 1.00 2.50 H new ATOM 0 HB3 MET A 1 -4.772 14.388 5.475 1.00 2.50 H new ATOM 0 HG2 MET A 1 -5.986 16.478 6.065 1.00 3.10 H new ATOM 0 HG3 MET A 1 -6.786 15.636 7.378 1.00 3.10 H new ATOM 0 HE1 MET A 1 -2.326 16.797 7.163 1.00 4.70 H new ATOM 0 HE2 MET A 1 -2.804 15.281 6.363 1.00 4.70 H new ATOM 0 HE3 MET A 1 -3.515 16.826 5.839 1.00 4.70 H new ATOM 20 N GLN A 2 -5.713 12.942 3.257 1.00 0.97 N ATOM 21 CA GLN A 2 -5.332 11.860 2.339 1.00 0.74 C ATOM 22 C GLN A 2 -6.530 11.399 1.507 1.00 0.65 C ATOM 23 O GLN A 2 -7.684 11.595 1.888 1.00 0.86 O ATOM 24 CB GLN A 2 -4.700 10.671 3.082 1.00 1.18 C ATOM 25 CG GLN A 2 -3.455 11.043 3.873 1.00 1.83 C ATOM 26 CD GLN A 2 -2.685 9.837 4.384 1.00 2.42 C ATOM 27 OE1 GLN A 2 -3.253 8.775 4.644 1.00 2.91 O ATOM 28 NE2 GLN A 2 -1.383 10.002 4.542 1.00 3.09 N ATOM 0 H GLN A 2 -5.298 13.843 3.019 1.00 0.97 H new ATOM 0 HA GLN A 2 -4.577 12.264 1.665 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -5.438 10.243 3.761 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -4.444 9.896 2.360 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -2.799 11.644 3.243 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -3.743 11.666 4.719 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -0.951 10.898 4.315 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -0.810 9.234 4.891 1.00 3.09 H new ATOM 37 N ASP A 3 -6.251 10.802 0.359 1.00 0.48 N ATOM 38 CA ASP A 3 -7.302 10.406 -0.568 1.00 0.44 C ATOM 39 C ASP A 3 -6.833 9.256 -1.446 1.00 0.32 C ATOM 40 O ASP A 3 -5.684 8.823 -1.351 1.00 0.32 O ATOM 41 CB ASP A 3 -7.717 11.588 -1.447 1.00 0.55 C ATOM 42 CG ASP A 3 -6.655 11.954 -2.464 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.640 12.578 -2.079 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.829 11.620 -3.652 1.00 1.97 O ATOM 0 H ASP A 3 -5.306 10.581 0.046 1.00 0.48 H new ATOM 0 HA ASP A 3 -8.162 10.079 0.016 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.644 11.343 -1.966 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.924 12.452 -0.815 1.00 0.55 H new ATOM 49 N TRP A 4 -7.722 8.801 -2.320 1.00 0.32 N ATOM 50 CA TRP A 4 -7.470 7.646 -3.176 1.00 0.27 C ATOM 51 C TRP A 4 -6.270 7.864 -4.101 1.00 0.24 C ATOM 52 O TRP A 4 -5.472 6.952 -4.317 1.00 0.25 O ATOM 53 CB TRP A 4 -8.731 7.336 -3.992 1.00 0.29 C ATOM 54 CG TRP A 4 -8.587 6.186 -4.944 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.916 6.183 -6.267 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.081 4.877 -4.653 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.650 4.955 -6.816 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.133 4.138 -5.848 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.584 4.257 -3.504 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.713 2.816 -5.923 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.170 2.939 -3.584 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.236 2.233 -4.786 1.00 0.22 C ATOM 0 H TRP A 4 -8.641 9.223 -2.456 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.225 6.797 -2.538 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.550 7.123 -3.305 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.012 8.226 -4.556 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.326 7.025 -6.804 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.811 4.693 -7.788 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.524 4.796 -2.570 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.763 2.267 -6.852 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.789 2.448 -2.701 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.903 1.206 -4.816 1.00 0.22 H new ATOM 73 N LEU A 5 -6.132 9.069 -4.641 1.00 0.28 N ATOM 74 CA LEU A 5 -5.039 9.367 -5.556 1.00 0.32 C ATOM 75 C LEU A 5 -3.705 9.342 -4.821 1.00 0.32 C ATOM 76 O LEU A 5 -2.705 8.848 -5.343 1.00 0.35 O ATOM 77 CB LEU A 5 -5.246 10.724 -6.237 1.00 0.42 C ATOM 78 CG LEU A 5 -6.350 10.777 -7.303 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.097 9.746 -8.392 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.731 10.579 -6.693 1.00 0.84 C ATOM 0 H LEU A 5 -6.761 9.852 -4.462 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.028 8.597 -6.328 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.473 11.463 -5.469 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.306 11.024 -6.700 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.324 11.771 -7.750 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.891 9.801 -9.137 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.138 9.948 -8.869 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.080 8.749 -7.952 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.485 10.623 -7.478 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.776 9.607 -6.201 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.922 11.365 -5.962 1.00 0.84 H new ATOM 92 N THR A 6 -3.704 9.858 -3.600 1.00 0.34 N ATOM 93 CA THR A 6 -2.513 9.847 -2.767 1.00 0.40 C ATOM 94 C THR A 6 -2.206 8.422 -2.303 1.00 0.35 C ATOM 95 O THR A 6 -1.047 7.996 -2.279 1.00 0.37 O ATOM 96 CB THR A 6 -2.693 10.771 -1.545 1.00 0.52 C ATOM 97 OG1 THR A 6 -3.058 12.088 -1.985 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.413 10.852 -0.722 1.00 0.61 C ATOM 0 H THR A 6 -4.519 10.291 -3.164 1.00 0.34 H new ATOM 0 HA THR A 6 -1.677 10.216 -3.361 1.00 0.40 H new ATOM 0 HB THR A 6 -3.481 10.354 -0.918 1.00 0.52 H new ATOM 0 HG1 THR A 6 -4.017 12.111 -2.187 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.571 11.510 0.132 1.00 0.61 H new ATOM 0 HG22 THR A 6 -1.144 9.857 -0.368 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.607 11.247 -1.341 1.00 0.61 H new ATOM 106 N PHE A 7 -3.259 7.688 -1.962 1.00 0.29 N ATOM 107 CA PHE A 7 -3.138 6.302 -1.527 1.00 0.26 C ATOM 108 C PHE A 7 -2.512 5.452 -2.628 1.00 0.23 C ATOM 109 O PHE A 7 -1.618 4.642 -2.372 1.00 0.24 O ATOM 110 CB PHE A 7 -4.524 5.754 -1.161 1.00 0.24 C ATOM 111 CG PHE A 7 -4.505 4.386 -0.531 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.428 3.241 -1.311 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.569 4.247 0.846 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.412 1.987 -0.732 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.553 2.995 1.431 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.474 1.864 0.641 1.00 0.27 C ATOM 0 H PHE A 7 -4.218 8.036 -1.979 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.492 6.261 -0.650 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -5.007 6.450 -0.475 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.136 5.717 -2.062 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.380 3.332 -2.386 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.632 5.127 1.469 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.351 1.105 -1.352 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.602 2.901 2.506 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.461 0.885 1.097 1.00 0.27 H new ATOM 126 N GLN A 8 -2.989 5.658 -3.850 1.00 0.23 N ATOM 127 CA GLN A 8 -2.522 4.917 -5.010 1.00 0.24 C ATOM 128 C GLN A 8 -1.015 5.000 -5.179 1.00 0.24 C ATOM 129 O GLN A 8 -0.330 3.981 -5.170 1.00 0.25 O ATOM 130 CB GLN A 8 -3.184 5.452 -6.267 1.00 0.27 C ATOM 131 CG GLN A 8 -4.469 4.736 -6.638 1.00 0.27 C ATOM 132 CD GLN A 8 -5.095 5.292 -7.899 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.797 4.844 -9.008 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.967 6.271 -7.740 1.00 0.45 N ATOM 0 H GLN A 8 -3.712 6.346 -4.062 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.790 3.873 -4.849 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.397 6.512 -6.130 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.482 5.372 -7.097 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.264 3.674 -6.775 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.179 4.820 -5.815 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.185 6.612 -6.804 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.422 6.686 -8.553 1.00 0.45 H new ATOM 143 N LYS A 9 -0.509 6.215 -5.329 1.00 0.26 N ATOM 144 CA LYS A 9 0.907 6.432 -5.603 1.00 0.29 C ATOM 145 C LYS A 9 1.791 5.737 -4.574 1.00 0.29 C ATOM 146 O LYS A 9 2.878 5.259 -4.895 1.00 0.33 O ATOM 147 CB LYS A 9 1.195 7.931 -5.609 1.00 0.32 C ATOM 148 CG LYS A 9 0.402 8.686 -6.658 1.00 0.33 C ATOM 149 CD LYS A 9 0.481 10.184 -6.446 1.00 0.67 C ATOM 150 CE LYS A 9 -0.260 10.943 -7.536 1.00 1.20 C ATOM 151 NZ LYS A 9 0.297 10.665 -8.887 1.00 1.88 N ATOM 0 H LYS A 9 -1.060 7.071 -5.265 1.00 0.26 H new ATOM 0 HA LYS A 9 1.137 6.004 -6.579 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.968 8.342 -4.625 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.259 8.090 -5.783 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.781 8.438 -7.650 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.640 8.368 -6.626 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.058 10.437 -5.474 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.525 10.495 -6.431 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -1.315 10.669 -7.515 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -0.205 12.013 -7.334 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.040 11.386 -9.556 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.336 10.689 -8.846 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -0.015 9.725 -9.204 1.00 1.88 H new ATOM 165 N LYS A 10 1.302 5.670 -3.348 1.00 0.28 N ATOM 166 CA LYS A 10 2.090 5.142 -2.237 1.00 0.30 C ATOM 167 C LYS A 10 1.905 3.640 -2.026 1.00 0.26 C ATOM 168 O LYS A 10 2.741 3.002 -1.389 1.00 0.29 O ATOM 169 CB LYS A 10 1.738 5.883 -0.943 1.00 0.38 C ATOM 170 CG LYS A 10 2.208 7.328 -0.897 1.00 0.63 C ATOM 171 CD LYS A 10 1.681 8.029 0.348 1.00 0.73 C ATOM 172 CE LYS A 10 2.138 9.478 0.434 1.00 1.10 C ATOM 173 NZ LYS A 10 3.574 9.605 0.799 1.00 1.34 N ATOM 0 H LYS A 10 0.363 5.974 -3.092 1.00 0.28 H new ATOM 0 HA LYS A 10 3.136 5.304 -2.498 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.656 5.861 -0.809 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.174 5.345 -0.101 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.297 7.361 -0.905 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.867 7.855 -1.788 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.592 7.994 0.348 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.017 7.491 1.234 1.00 0.73 H new ATOM 0 HE2 LYS A 10 1.966 9.967 -0.525 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.532 10.003 1.172 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.737 10.528 1.249 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.832 8.846 1.462 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.158 9.529 -0.058 1.00 1.34 H new ATOM 187 N HIS A 11 0.818 3.062 -2.526 1.00 0.25 N ATOM 188 CA HIS A 11 0.511 1.674 -2.177 1.00 0.24 C ATOM 189 C HIS A 11 0.154 0.800 -3.375 1.00 0.23 C ATOM 190 O HIS A 11 0.048 -0.413 -3.234 1.00 0.26 O ATOM 191 CB HIS A 11 -0.617 1.615 -1.142 1.00 0.26 C ATOM 192 CG HIS A 11 -0.233 2.187 0.188 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.559 1.518 1.097 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.516 3.385 0.753 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.749 2.280 2.157 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.107 3.418 1.976 1.00 0.37 N ATOM 0 H HIS A 11 0.152 3.512 -3.154 1.00 0.25 H new ATOM 0 HA HIS A 11 1.430 1.267 -1.756 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.482 2.156 -1.526 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.924 0.578 -1.008 1.00 0.26 H new ATOM 0 HD1 HIS A 11 0.939 0.580 0.970 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.120 4.169 0.321 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.332 2.016 3.027 1.00 0.34 H new ATOM 205 N ILE A 12 -0.019 1.387 -4.543 1.00 0.23 N ATOM 206 CA ILE A 12 -0.389 0.610 -5.718 1.00 0.24 C ATOM 207 C ILE A 12 0.832 0.345 -6.589 1.00 0.23 C ATOM 208 O ILE A 12 1.394 1.264 -7.191 1.00 0.30 O ATOM 209 CB ILE A 12 -1.490 1.320 -6.546 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.752 1.518 -5.703 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.824 0.536 -7.807 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.369 0.230 -5.199 1.00 0.48 C ATOM 0 H ILE A 12 0.088 2.388 -4.707 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.791 -0.341 -5.370 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.104 2.295 -6.843 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.510 2.150 -4.849 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.492 2.054 -6.297 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.599 1.060 -8.366 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.931 0.443 -8.425 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.181 -0.457 -7.534 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.258 0.458 -4.611 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.646 -0.397 -6.047 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.648 -0.299 -4.576 1.00 0.48 H new ATOM 224 N THR A 13 1.256 -0.913 -6.629 1.00 0.20 N ATOM 225 CA THR A 13 2.390 -1.313 -7.446 1.00 0.21 C ATOM 226 C THR A 13 1.964 -2.405 -8.427 1.00 0.22 C ATOM 227 O THR A 13 1.059 -3.195 -8.142 1.00 0.24 O ATOM 228 CB THR A 13 3.587 -1.796 -6.579 1.00 0.21 C ATOM 229 OG1 THR A 13 4.735 -2.062 -7.398 1.00 0.30 O ATOM 230 CG2 THR A 13 3.243 -3.051 -5.795 1.00 0.21 C ATOM 0 H THR A 13 0.828 -1.674 -6.102 1.00 0.20 H new ATOM 0 HA THR A 13 2.727 -0.439 -8.003 1.00 0.21 H new ATOM 0 HB THR A 13 3.812 -0.993 -5.877 1.00 0.21 H new ATOM 0 HG1 THR A 13 4.961 -3.014 -7.346 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.105 -3.357 -5.202 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.401 -2.847 -5.134 1.00 0.21 H new ATOM 0 HG23 THR A 13 2.976 -3.850 -6.486 1.00 0.21 H new ATOM 238 N ASN A 14 2.606 -2.442 -9.584 1.00 0.28 N ATOM 239 CA ASN A 14 2.254 -3.405 -10.615 1.00 0.33 C ATOM 240 C ASN A 14 3.344 -4.454 -10.770 1.00 0.32 C ATOM 241 O ASN A 14 3.366 -5.206 -11.744 1.00 0.36 O ATOM 242 CB ASN A 14 1.996 -2.706 -11.954 1.00 0.46 C ATOM 243 CG ASN A 14 3.160 -1.847 -12.416 1.00 1.36 C ATOM 244 OD1 ASN A 14 4.099 -2.332 -13.046 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.095 -0.555 -12.125 1.00 2.08 N ATOM 0 H ASN A 14 3.373 -1.817 -9.832 1.00 0.28 H new ATOM 0 HA ASN A 14 1.335 -3.903 -10.305 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.784 -3.458 -12.714 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.106 -2.083 -11.865 1.00 0.46 H new ATOM 0 HD21 ASN A 14 3.840 0.074 -12.426 1.00 2.08 H new ATOM 0 HD22 ASN A 14 2.300 -0.190 -11.601 1.00 2.08 H new ATOM 252 N THR A 15 4.241 -4.508 -9.799 1.00 0.33 N ATOM 253 CA THR A 15 5.289 -5.511 -9.789 1.00 0.36 C ATOM 254 C THR A 15 5.512 -6.028 -8.366 1.00 0.33 C ATOM 255 O THR A 15 5.358 -5.277 -7.397 1.00 0.36 O ATOM 256 CB THR A 15 6.609 -4.955 -10.379 1.00 0.42 C ATOM 257 OG1 THR A 15 7.575 -6.007 -10.507 1.00 0.48 O ATOM 258 CG2 THR A 15 7.178 -3.835 -9.514 1.00 0.43 C ATOM 0 H THR A 15 4.263 -3.866 -9.006 1.00 0.33 H new ATOM 0 HA THR A 15 4.969 -6.340 -10.420 1.00 0.36 H new ATOM 0 HB THR A 15 6.386 -4.544 -11.364 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.405 -5.645 -10.882 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.104 -3.468 -9.957 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.457 -3.020 -9.453 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.381 -4.216 -8.513 1.00 0.43 H new ATOM 266 N ARG A 16 5.847 -7.314 -8.245 1.00 0.32 N ATOM 267 CA ARG A 16 6.074 -7.936 -6.943 1.00 0.31 C ATOM 268 C ARG A 16 7.248 -7.289 -6.223 1.00 0.33 C ATOM 269 O ARG A 16 7.106 -6.809 -5.102 1.00 0.45 O ATOM 270 CB ARG A 16 6.306 -9.440 -7.094 1.00 0.36 C ATOM 271 CG ARG A 16 5.043 -10.206 -7.439 1.00 0.45 C ATOM 272 CD ARG A 16 4.037 -10.138 -6.303 1.00 0.38 C ATOM 273 NE ARG A 16 4.416 -10.988 -5.172 1.00 0.32 N ATOM 274 CZ ARG A 16 4.249 -10.650 -3.892 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.860 -9.420 -3.570 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.498 -11.529 -2.930 1.00 0.51 N ATOM 0 H ARG A 16 5.967 -7.945 -9.037 1.00 0.32 H new ATOM 0 HA ARG A 16 5.179 -7.782 -6.340 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.051 -9.610 -7.872 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.719 -9.833 -6.165 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.601 -9.795 -8.346 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.290 -11.247 -7.648 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.945 -9.106 -5.964 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.057 -10.442 -6.670 1.00 0.38 H new ATOM 0 HE ARG A 16 4.834 -11.896 -5.376 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.688 -8.731 -4.302 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.733 -9.165 -2.590 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.819 -12.468 -3.167 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.369 -11.266 -1.953 1.00 0.51 H new ATOM 290 N ASP A 17 8.410 -7.277 -6.854 1.00 0.37 N ATOM 291 CA ASP A 17 9.547 -6.591 -6.289 1.00 0.42 C ATOM 292 C ASP A 17 9.557 -5.135 -6.729 1.00 0.36 C ATOM 293 O ASP A 17 10.142 -4.775 -7.749 1.00 0.46 O ATOM 294 CB ASP A 17 10.864 -7.292 -6.645 1.00 0.60 C ATOM 295 CG ASP A 17 11.020 -7.609 -8.119 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.485 -8.645 -8.561 1.00 1.94 O ATOM 297 OD2 ASP A 17 11.704 -6.848 -8.834 1.00 1.40 O ATOM 0 H ASP A 17 8.585 -7.732 -7.750 1.00 0.37 H new ATOM 0 HA ASP A 17 9.455 -6.621 -5.203 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.695 -6.661 -6.331 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.935 -8.219 -6.076 1.00 0.60 H new ATOM 302 N VAL A 18 8.854 -4.308 -5.970 1.00 0.31 N ATOM 303 CA VAL A 18 8.861 -2.878 -6.208 1.00 0.29 C ATOM 304 C VAL A 18 10.244 -2.322 -5.894 1.00 0.29 C ATOM 305 O VAL A 18 10.793 -2.584 -4.822 1.00 0.35 O ATOM 306 CB VAL A 18 7.771 -2.137 -5.383 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.701 -2.639 -3.946 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.014 -0.636 -5.407 1.00 0.58 C ATOM 0 H VAL A 18 8.273 -4.605 -5.186 1.00 0.31 H new ATOM 0 HA VAL A 18 8.625 -2.709 -7.259 1.00 0.29 H new ATOM 0 HB VAL A 18 6.810 -2.351 -5.851 1.00 0.36 H new ATOM 0 HG11 VAL A 18 6.926 -2.093 -3.407 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.464 -3.703 -3.943 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.663 -2.480 -3.458 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.242 -0.133 -4.825 1.00 0.58 H new ATOM 0 HG22 VAL A 18 8.992 -0.419 -4.977 1.00 0.58 H new ATOM 0 HG23 VAL A 18 7.983 -0.279 -6.436 1.00 0.58 H new ATOM 318 N ASP A 19 10.819 -1.580 -6.835 1.00 0.34 N ATOM 319 CA ASP A 19 12.178 -1.077 -6.669 1.00 0.41 C ATOM 320 C ASP A 19 12.204 0.134 -5.745 1.00 0.39 C ATOM 321 O ASP A 19 12.426 1.272 -6.166 1.00 0.46 O ATOM 322 CB ASP A 19 12.816 -0.748 -8.019 1.00 0.58 C ATOM 323 CG ASP A 19 14.289 -0.414 -7.887 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.026 -1.212 -7.269 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.716 0.634 -8.414 1.00 1.91 O ATOM 0 H ASP A 19 10.371 -1.316 -7.712 1.00 0.34 H new ATOM 0 HA ASP A 19 12.769 -1.867 -6.205 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.696 -1.596 -8.693 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.293 0.095 -8.471 1.00 0.58 H new ATOM 330 N CYS A 20 11.914 -0.139 -4.486 1.00 0.38 N ATOM 331 CA CYS A 20 11.896 0.859 -3.434 1.00 0.40 C ATOM 332 C CYS A 20 13.186 1.661 -3.353 1.00 0.38 C ATOM 333 O CYS A 20 13.152 2.829 -2.971 1.00 0.39 O ATOM 334 CB CYS A 20 11.582 0.187 -2.108 1.00 0.51 C ATOM 335 SG CYS A 20 9.838 -0.316 -1.991 1.00 0.93 S ATOM 0 H CYS A 20 11.680 -1.077 -4.161 1.00 0.38 H new ATOM 0 HA CYS A 20 11.115 1.580 -3.674 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.220 -0.688 -1.986 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.817 0.870 -1.292 1.00 0.51 H new ATOM 340 N ASP A 21 14.308 1.031 -3.703 1.00 0.47 N ATOM 341 CA ASP A 21 15.614 1.697 -3.719 1.00 0.59 C ATOM 342 C ASP A 21 15.522 3.092 -4.333 1.00 0.53 C ATOM 343 O ASP A 21 15.988 4.070 -3.748 1.00 0.64 O ATOM 344 CB ASP A 21 16.627 0.861 -4.505 1.00 0.85 C ATOM 345 CG ASP A 21 17.987 1.529 -4.600 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.817 1.320 -3.692 1.00 1.66 O ATOM 347 OD2 ASP A 21 18.236 2.255 -5.587 1.00 2.26 O ATOM 0 H ASP A 21 14.339 0.050 -3.982 1.00 0.47 H new ATOM 0 HA ASP A 21 15.945 1.796 -2.685 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.737 -0.113 -4.028 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.243 0.682 -5.509 1.00 0.85 H new ATOM 352 N ASN A 22 14.901 3.174 -5.502 1.00 0.50 N ATOM 353 CA ASN A 22 14.736 4.447 -6.186 1.00 0.49 C ATOM 354 C ASN A 22 13.372 5.049 -5.878 1.00 0.42 C ATOM 355 O ASN A 22 13.251 6.243 -5.614 1.00 0.43 O ATOM 356 CB ASN A 22 14.885 4.259 -7.694 1.00 0.59 C ATOM 357 CG ASN A 22 15.023 5.578 -8.435 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.497 6.569 -7.881 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.621 5.596 -9.696 1.00 1.14 N ATOM 0 H ASN A 22 14.504 2.374 -5.995 1.00 0.50 H new ATOM 0 HA ASN A 22 15.509 5.128 -5.830 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.760 3.640 -7.895 1.00 0.59 H new ATOM 0 HB3 ASN A 22 14.018 3.720 -8.077 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.699 6.453 -10.244 1.00 1.14 H new ATOM 0 HD22 ASN A 22 14.233 4.753 -10.120 1.00 1.14 H new ATOM 366 N ILE A 23 12.353 4.203 -5.899 1.00 0.40 N ATOM 367 CA ILE A 23 10.972 4.646 -5.709 1.00 0.38 C ATOM 368 C ILE A 23 10.765 5.353 -4.366 1.00 0.33 C ATOM 369 O ILE A 23 10.215 6.452 -4.326 1.00 0.34 O ATOM 370 CB ILE A 23 9.982 3.466 -5.857 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.998 2.965 -7.308 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.570 3.879 -5.445 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.057 1.810 -7.571 1.00 0.48 C ATOM 0 H ILE A 23 12.454 3.199 -6.046 1.00 0.40 H new ATOM 0 HA ILE A 23 10.768 5.374 -6.494 1.00 0.38 H new ATOM 0 HB ILE A 23 10.295 2.659 -5.195 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.737 3.791 -7.970 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.012 2.660 -7.565 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.895 3.031 -5.559 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.575 4.202 -4.404 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.232 4.699 -6.078 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.127 1.515 -8.618 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.330 0.967 -6.937 1.00 0.48 H new ATOM 0 HD13 ILE A 23 8.035 2.115 -7.348 1.00 0.48 H new ATOM 385 N LEU A 24 11.236 4.755 -3.271 1.00 0.30 N ATOM 386 CA LEU A 24 11.051 5.356 -1.949 1.00 0.29 C ATOM 387 C LEU A 24 12.008 6.525 -1.748 1.00 0.32 C ATOM 388 O LEU A 24 11.900 7.268 -0.770 1.00 0.33 O ATOM 389 CB LEU A 24 11.277 4.340 -0.823 1.00 0.31 C ATOM 390 CG LEU A 24 10.341 3.129 -0.787 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.614 2.288 0.446 1.00 1.03 C ATOM 392 CD2 LEU A 24 8.891 3.557 -0.796 1.00 1.01 C ATOM 0 H LEU A 24 11.741 3.869 -3.271 1.00 0.30 H new ATOM 0 HA LEU A 24 10.020 5.706 -1.907 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.302 3.975 -0.895 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.192 4.864 0.129 1.00 0.31 H new ATOM 0 HG LEU A 24 10.533 2.536 -1.681 1.00 0.38 H new ATOM 0 HD11 LEU A 24 9.941 1.431 0.458 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.646 1.939 0.427 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.451 2.890 1.340 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.251 2.675 -0.770 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.689 4.178 0.077 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.686 4.128 -1.702 1.00 1.01 H new ATOM 404 N SER A 25 12.952 6.670 -2.668 1.00 0.36 N ATOM 405 CA SER A 25 13.957 7.718 -2.581 1.00 0.41 C ATOM 406 C SER A 25 13.391 9.040 -3.095 1.00 0.42 C ATOM 407 O SER A 25 13.944 10.109 -2.832 1.00 0.49 O ATOM 408 CB SER A 25 15.206 7.313 -3.374 1.00 0.50 C ATOM 409 OG SER A 25 16.287 8.204 -3.150 1.00 1.28 O ATOM 0 H SER A 25 13.042 6.070 -3.488 1.00 0.36 H new ATOM 0 HA SER A 25 14.240 7.854 -1.537 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.504 6.303 -3.092 1.00 0.50 H new ATOM 0 HB3 SER A 25 14.969 7.290 -4.438 1.00 0.50 H new ATOM 0 HG SER A 25 17.064 7.912 -3.671 1.00 1.28 H new ATOM 415 N THR A 26 12.280 8.964 -3.817 1.00 0.41 N ATOM 416 CA THR A 26 11.614 10.160 -4.304 1.00 0.46 C ATOM 417 C THR A 26 10.959 10.900 -3.148 1.00 0.45 C ATOM 418 O THR A 26 10.795 10.345 -2.059 1.00 0.45 O ATOM 419 CB THR A 26 10.542 9.832 -5.360 1.00 0.49 C ATOM 420 OG1 THR A 26 9.533 8.986 -4.798 1.00 0.44 O ATOM 421 CG2 THR A 26 11.162 9.157 -6.569 1.00 0.56 C ATOM 0 H THR A 26 11.824 8.089 -4.076 1.00 0.41 H new ATOM 0 HA THR A 26 12.375 10.786 -4.770 1.00 0.46 H new ATOM 0 HB THR A 26 10.087 10.769 -5.680 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.756 8.048 -4.975 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.385 8.935 -7.300 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.903 9.820 -7.016 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.645 8.230 -6.260 1.00 0.56 H new ATOM 429 N ASN A 27 10.562 12.141 -3.386 1.00 0.49 N ATOM 430 CA ASN A 27 9.938 12.952 -2.348 1.00 0.52 C ATOM 431 C ASN A 27 8.506 12.478 -2.079 1.00 0.52 C ATOM 432 O ASN A 27 7.824 12.989 -1.192 1.00 0.67 O ATOM 433 CB ASN A 27 9.943 14.429 -2.750 1.00 0.61 C ATOM 434 CG ASN A 27 9.596 15.338 -1.589 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.914 15.046 -0.435 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.943 16.449 -1.883 1.00 1.53 N ATOM 0 H ASN A 27 10.660 12.609 -4.287 1.00 0.49 H new ATOM 0 HA ASN A 27 10.516 12.838 -1.431 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.927 14.695 -3.137 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.229 14.586 -3.559 1.00 0.61 H new ATOM 0 HD21 ASN A 27 8.685 17.100 -1.142 1.00 1.53 H new ATOM 0 HD22 ASN A 27 8.698 16.655 -2.851 1.00 1.53 H new ATOM 443 N LEU A 28 8.063 11.490 -2.850 1.00 0.48 N ATOM 444 CA LEU A 28 6.759 10.875 -2.645 1.00 0.47 C ATOM 445 C LEU A 28 6.778 10.014 -1.384 1.00 0.45 C ATOM 446 O LEU A 28 5.733 9.689 -0.817 1.00 0.52 O ATOM 447 CB LEU A 28 6.386 10.029 -3.869 1.00 0.47 C ATOM 448 CG LEU A 28 5.057 9.271 -3.777 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.896 10.234 -3.595 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.848 8.415 -5.017 1.00 0.51 C ATOM 0 H LEU A 28 8.593 11.097 -3.628 1.00 0.48 H new ATOM 0 HA LEU A 28 6.010 11.656 -2.518 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.350 10.682 -4.741 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.183 9.307 -4.044 1.00 0.47 H new ATOM 0 HG LEU A 28 5.097 8.618 -2.905 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.964 9.672 -3.532 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.038 10.805 -2.678 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.852 10.916 -4.444 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.900 7.883 -4.936 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.832 9.053 -5.901 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.662 7.695 -5.103 1.00 0.51 H new ATOM 462 N PHE A 29 7.979 9.649 -0.949 1.00 0.42 N ATOM 463 CA PHE A 29 8.149 8.852 0.258 1.00 0.40 C ATOM 464 C PHE A 29 9.229 9.459 1.148 1.00 0.42 C ATOM 465 O PHE A 29 9.046 9.602 2.358 1.00 0.48 O ATOM 466 CB PHE A 29 8.528 7.410 -0.094 1.00 0.36 C ATOM 467 CG PHE A 29 7.521 6.705 -0.958 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.407 6.102 -0.397 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.692 6.639 -2.331 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.485 5.449 -1.189 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.774 5.987 -3.127 1.00 0.39 C ATOM 472 CZ PHE A 29 5.669 5.391 -2.556 1.00 0.42 C ATOM 0 H PHE A 29 8.852 9.894 -1.417 1.00 0.42 H new ATOM 0 HA PHE A 29 7.201 8.848 0.795 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.491 7.413 -0.605 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.659 6.844 0.829 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.259 6.144 0.672 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.555 7.104 -2.784 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.620 4.984 -0.740 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.920 5.943 -4.196 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.949 4.880 -3.177 1.00 0.42 H new ATOM 482 N HIS A 30 10.353 9.799 0.524 1.00 0.43 N ATOM 483 CA HIS A 30 11.507 10.386 1.204 1.00 0.52 C ATOM 484 C HIS A 30 11.977 9.489 2.347 1.00 0.45 C ATOM 485 O HIS A 30 12.113 9.935 3.488 1.00 0.48 O ATOM 486 CB HIS A 30 11.195 11.797 1.711 1.00 0.70 C ATOM 487 CG HIS A 30 12.422 12.643 1.871 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.886 13.091 3.086 1.00 1.78 N ATOM 489 CD2 HIS A 30 13.289 13.110 0.946 1.00 2.07 C ATOM 490 CE1 HIS A 30 13.982 13.801 2.900 1.00 2.74 C ATOM 491 NE2 HIS A 30 14.253 13.827 1.609 1.00 2.97 N ATOM 0 H HIS A 30 10.491 9.674 -0.479 1.00 0.43 H new ATOM 0 HA HIS A 30 12.316 10.466 0.478 1.00 0.52 H new ATOM 0 HB2 HIS A 30 10.511 12.285 1.016 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.680 11.728 2.669 1.00 0.70 H new ATOM 0 HD2 HIS A 30 13.233 12.948 -0.120 1.00 2.07 H new ATOM 0 HE1 HIS A 30 14.561 14.281 3.675 1.00 2.74 H new ATOM 0 HE2 HIS A 30 15.046 14.301 1.176 1.00 2.97 H new ATOM 500 N CYS A 31 12.212 8.223 2.004 1.00 0.44 N ATOM 501 CA CYS A 31 12.699 7.196 2.930 1.00 0.45 C ATOM 502 C CYS A 31 12.066 7.253 4.319 1.00 0.40 C ATOM 503 O CYS A 31 12.746 7.506 5.315 1.00 0.47 O ATOM 504 CB CYS A 31 14.233 7.207 3.040 1.00 0.62 C ATOM 505 SG CYS A 31 15.010 8.849 3.213 1.00 1.10 S ATOM 0 H CYS A 31 12.067 7.874 1.057 1.00 0.44 H new ATOM 0 HA CYS A 31 12.381 6.252 2.487 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.520 6.599 3.898 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.645 6.724 2.154 1.00 0.62 H new ATOM 510 N LYS A 32 10.757 7.027 4.386 1.00 0.39 N ATOM 511 CA LYS A 32 10.104 6.780 5.659 1.00 0.43 C ATOM 512 C LYS A 32 10.436 5.359 6.113 1.00 0.45 C ATOM 513 O LYS A 32 10.849 4.538 5.286 1.00 0.55 O ATOM 514 CB LYS A 32 8.582 6.990 5.556 1.00 0.50 C ATOM 515 CG LYS A 32 7.807 5.897 4.816 1.00 0.53 C ATOM 516 CD LYS A 32 7.940 5.970 3.297 1.00 0.90 C ATOM 517 CE LYS A 32 9.055 5.080 2.772 1.00 2.05 C ATOM 518 NZ LYS A 32 8.995 3.714 3.355 1.00 2.72 N ATOM 0 H LYS A 32 10.135 7.011 3.578 1.00 0.39 H new ATOM 0 HA LYS A 32 10.471 7.492 6.398 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.177 7.077 6.564 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.399 7.941 5.056 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.157 4.922 5.156 1.00 0.53 H new ATOM 0 HG3 LYS A 32 6.753 5.968 5.083 1.00 0.53 H new ATOM 0 HD2 LYS A 32 6.996 5.676 2.837 1.00 0.90 H new ATOM 0 HD3 LYS A 32 8.131 7.001 3.000 1.00 0.90 H new ATOM 0 HE2 LYS A 32 8.986 5.015 1.686 1.00 2.05 H new ATOM 0 HE3 LYS A 32 10.020 5.532 3.004 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 9.795 3.579 4.006 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 8.102 3.597 3.875 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.047 3.009 2.593 1.00 2.72 H new ATOM 532 N ASP A 33 10.242 5.076 7.402 1.00 0.49 N ATOM 533 CA ASP A 33 10.644 3.791 8.004 1.00 0.54 C ATOM 534 C ASP A 33 10.281 2.603 7.127 1.00 0.48 C ATOM 535 O ASP A 33 11.144 1.812 6.753 1.00 0.51 O ATOM 536 CB ASP A 33 10.002 3.604 9.382 1.00 0.66 C ATOM 537 CG ASP A 33 10.662 4.431 10.462 1.00 1.28 C ATOM 538 OD1 ASP A 33 10.360 5.639 10.557 1.00 2.06 O ATOM 539 OD2 ASP A 33 11.473 3.871 11.231 1.00 1.57 O ATOM 0 H ASP A 33 9.805 5.722 8.059 1.00 0.49 H new ATOM 0 HA ASP A 33 11.729 3.828 8.103 1.00 0.54 H new ATOM 0 HB2 ASP A 33 8.947 3.870 9.323 1.00 0.66 H new ATOM 0 HB3 ASP A 33 10.051 2.551 9.659 1.00 0.66 H new ATOM 544 N LYS A 34 9.007 2.477 6.786 1.00 0.44 N ATOM 545 CA LYS A 34 8.565 1.370 5.954 1.00 0.41 C ATOM 546 C LYS A 34 7.328 1.746 5.151 1.00 0.38 C ATOM 547 O LYS A 34 6.707 2.775 5.395 1.00 0.43 O ATOM 548 CB LYS A 34 8.308 0.101 6.787 1.00 0.48 C ATOM 549 CG LYS A 34 7.101 0.159 7.716 1.00 0.95 C ATOM 550 CD LYS A 34 7.345 1.035 8.932 1.00 1.27 C ATOM 551 CE LYS A 34 6.253 0.848 9.971 1.00 1.96 C ATOM 552 NZ LYS A 34 4.904 1.194 9.441 1.00 2.60 N ATOM 0 H LYS A 34 8.268 3.121 7.070 1.00 0.44 H new ATOM 0 HA LYS A 34 9.372 1.150 5.255 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.180 -0.740 6.106 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.195 -0.106 7.385 1.00 0.48 H new ATOM 0 HG2 LYS A 34 6.241 0.539 7.165 1.00 0.95 H new ATOM 0 HG3 LYS A 34 6.850 -0.850 8.043 1.00 0.95 H new ATOM 0 HD2 LYS A 34 8.313 0.792 9.370 1.00 1.27 H new ATOM 0 HD3 LYS A 34 7.386 2.081 8.628 1.00 1.27 H new ATOM 0 HE2 LYS A 34 6.252 -0.187 10.312 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.470 1.470 10.839 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 4.206 1.149 10.211 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.922 2.156 9.046 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 4.640 0.519 8.695 1.00 2.60 H new ATOM 566 N ASN A 35 7.013 0.933 4.155 1.00 0.37 N ATOM 567 CA ASN A 35 5.844 1.151 3.315 1.00 0.36 C ATOM 568 C ASN A 35 5.407 -0.162 2.690 1.00 0.34 C ATOM 569 O ASN A 35 6.194 -0.823 2.011 1.00 0.38 O ATOM 570 CB ASN A 35 6.152 2.166 2.210 1.00 0.36 C ATOM 571 CG ASN A 35 4.908 2.618 1.468 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.250 3.576 1.866 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.583 1.936 0.383 1.00 0.35 N ATOM 0 H ASN A 35 7.557 0.107 3.906 1.00 0.37 H new ATOM 0 HA ASN A 35 5.041 1.545 3.938 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.645 3.034 2.647 1.00 0.36 H new ATOM 0 HB3 ASN A 35 6.853 1.724 1.501 1.00 0.36 H new ATOM 0 HD21 ASN A 35 3.759 2.200 -0.157 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.156 1.146 0.086 1.00 0.35 H new ATOM 580 N THR A 36 4.166 -0.544 2.933 1.00 0.32 N ATOM 581 CA THR A 36 3.626 -1.765 2.366 1.00 0.30 C ATOM 582 C THR A 36 2.942 -1.478 1.032 1.00 0.26 C ATOM 583 O THR A 36 1.898 -0.820 0.985 1.00 0.28 O ATOM 584 CB THR A 36 2.615 -2.426 3.323 1.00 0.36 C ATOM 585 OG1 THR A 36 3.177 -2.525 4.639 1.00 0.45 O ATOM 586 CG2 THR A 36 2.228 -3.816 2.830 1.00 0.37 C ATOM 0 H THR A 36 3.513 -0.025 3.520 1.00 0.32 H new ATOM 0 HA THR A 36 4.460 -2.449 2.209 1.00 0.30 H new ATOM 0 HB THR A 36 1.720 -1.804 3.353 1.00 0.36 H new ATOM 0 HG1 THR A 36 2.528 -2.944 5.241 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.514 -4.262 3.522 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.775 -3.738 1.841 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.118 -4.443 2.773 1.00 0.37 H new ATOM 594 N PHE A 37 3.542 -1.949 -0.050 1.00 0.21 N ATOM 595 CA PHE A 37 2.947 -1.810 -1.370 1.00 0.18 C ATOM 596 C PHE A 37 2.047 -2.998 -1.653 1.00 0.18 C ATOM 597 O PHE A 37 2.230 -4.078 -1.089 1.00 0.21 O ATOM 598 CB PHE A 37 4.013 -1.719 -2.461 1.00 0.17 C ATOM 599 CG PHE A 37 4.882 -0.500 -2.387 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.005 -0.490 -1.578 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.592 0.632 -3.142 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.820 0.618 -1.521 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.406 1.743 -3.084 1.00 0.20 C ATOM 604 CZ PHE A 37 6.521 1.734 -2.275 1.00 0.20 C ATOM 0 H PHE A 37 4.441 -2.431 -0.040 1.00 0.21 H new ATOM 0 HA PHE A 37 2.368 -0.886 -1.378 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.647 -2.604 -2.406 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.521 -1.739 -3.433 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.244 -1.361 -0.985 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.721 0.640 -3.780 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.694 0.614 -0.886 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.170 2.618 -3.671 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.162 2.602 -2.231 1.00 0.20 H new ATOM 614 N ILE A 38 1.083 -2.793 -2.525 1.00 0.18 N ATOM 615 CA ILE A 38 0.137 -3.827 -2.882 1.00 0.17 C ATOM 616 C ILE A 38 0.269 -4.167 -4.359 1.00 0.17 C ATOM 617 O ILE A 38 0.048 -3.310 -5.218 1.00 0.18 O ATOM 618 CB ILE A 38 -1.307 -3.361 -2.595 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.421 -2.848 -1.155 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.295 -4.495 -2.838 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.706 -2.103 -0.875 1.00 0.22 C ATOM 0 H ILE A 38 0.934 -1.906 -3.006 1.00 0.18 H new ATOM 0 HA ILE A 38 0.353 -4.711 -2.282 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.550 -2.545 -3.276 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.345 -3.693 -0.471 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.577 -2.191 -0.945 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.307 -4.147 -2.630 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.229 -4.819 -3.877 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.057 -5.332 -2.181 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.715 -1.771 0.163 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.776 -1.237 -1.534 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.555 -2.763 -1.052 1.00 0.22 H new ATOM 633 N TYR A 39 0.666 -5.399 -4.651 1.00 0.16 N ATOM 634 CA TYR A 39 0.692 -5.882 -6.021 1.00 0.17 C ATOM 635 C TYR A 39 -0.731 -6.191 -6.453 1.00 0.18 C ATOM 636 O TYR A 39 -1.197 -7.333 -6.382 1.00 0.18 O ATOM 637 CB TYR A 39 1.591 -7.118 -6.169 1.00 0.20 C ATOM 638 CG TYR A 39 1.558 -7.741 -7.553 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.138 -7.096 -8.640 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.959 -8.973 -7.771 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.119 -7.659 -9.901 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.935 -9.544 -9.030 1.00 0.34 C ATOM 643 CZ TYR A 39 1.475 -8.881 -10.089 1.00 0.35 C ATOM 644 OH TYR A 39 1.498 -9.449 -11.345 1.00 0.40 O ATOM 0 H TYR A 39 0.974 -6.080 -3.956 1.00 0.16 H new ATOM 0 HA TYR A 39 1.114 -5.109 -6.664 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.618 -6.839 -5.931 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.287 -7.866 -5.437 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.612 -6.137 -8.495 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.503 -9.495 -6.943 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.597 -7.159 -10.731 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.488 -10.516 -9.173 1.00 0.34 H new ATOM 0 HH TYR A 39 1.011 -10.299 -11.329 1.00 0.40 H new ATOM 654 N SER A 40 -1.422 -5.137 -6.832 1.00 0.23 N ATOM 655 CA SER A 40 -2.806 -5.193 -7.251 1.00 0.26 C ATOM 656 C SER A 40 -3.145 -3.877 -7.920 1.00 0.29 C ATOM 657 O SER A 40 -2.637 -2.828 -7.524 1.00 0.50 O ATOM 658 CB SER A 40 -3.742 -5.422 -6.053 1.00 0.25 C ATOM 659 OG SER A 40 -3.552 -6.703 -5.476 1.00 0.93 O ATOM 0 H SER A 40 -1.028 -4.196 -6.858 1.00 0.23 H new ATOM 0 HA SER A 40 -2.942 -6.027 -7.940 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.564 -4.654 -5.300 1.00 0.25 H new ATOM 0 HB3 SER A 40 -4.778 -5.318 -6.376 1.00 0.25 H new ATOM 0 HG SER A 40 -2.887 -7.201 -5.996 1.00 0.93 H new ATOM 665 N ARG A 41 -3.973 -3.926 -8.943 1.00 0.25 N ATOM 666 CA ARG A 41 -4.382 -2.715 -9.619 1.00 0.27 C ATOM 667 C ARG A 41 -5.287 -1.880 -8.717 1.00 0.22 C ATOM 668 O ARG A 41 -5.880 -2.386 -7.767 1.00 0.23 O ATOM 669 CB ARG A 41 -5.077 -3.041 -10.945 1.00 0.33 C ATOM 670 CG ARG A 41 -4.107 -3.416 -12.056 1.00 0.54 C ATOM 671 CD ARG A 41 -3.264 -2.215 -12.451 1.00 1.08 C ATOM 672 NE ARG A 41 -2.182 -2.551 -13.372 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.481 -1.637 -14.046 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.832 -0.356 -13.987 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.450 -2.010 -14.794 1.00 2.66 N ATOM 0 H ARG A 41 -4.373 -4.785 -9.321 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.491 -2.128 -9.844 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.775 -3.863 -10.789 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.665 -2.179 -11.261 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.461 -4.229 -11.724 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.659 -3.781 -12.922 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.906 -1.465 -12.913 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.842 -1.764 -11.553 1.00 1.08 H new ATOM 0 HE ARG A 41 -1.950 -3.535 -13.507 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.636 -0.073 -13.427 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.297 0.344 -14.502 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.193 -2.995 -14.854 1.00 2.66 H new ATOM 0 HH22 ARG A 41 0.086 -1.311 -15.309 1.00 2.66 H new ATOM 689 N PRO A 42 -5.385 -0.580 -9.000 1.00 0.22 N ATOM 690 CA PRO A 42 -6.216 0.349 -8.229 1.00 0.21 C ATOM 691 C PRO A 42 -7.687 -0.062 -8.210 1.00 0.20 C ATOM 692 O PRO A 42 -8.420 0.288 -7.292 1.00 0.23 O ATOM 693 CB PRO A 42 -6.041 1.685 -8.967 1.00 0.24 C ATOM 694 CG PRO A 42 -5.491 1.327 -10.302 1.00 0.25 C ATOM 695 CD PRO A 42 -4.677 0.093 -10.094 1.00 0.30 C ATOM 0 HA PRO A 42 -5.919 0.384 -7.181 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.992 2.210 -9.061 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.364 2.347 -8.427 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.292 1.150 -11.019 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.879 2.136 -10.701 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.640 -0.524 -10.992 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.647 0.328 -9.826 1.00 0.30 H new ATOM 703 N GLU A 43 -8.115 -0.813 -9.216 1.00 0.21 N ATOM 704 CA GLU A 43 -9.502 -1.251 -9.298 1.00 0.25 C ATOM 705 C GLU A 43 -9.842 -2.271 -8.202 1.00 0.23 C ATOM 706 O GLU A 43 -10.709 -2.010 -7.368 1.00 0.24 O ATOM 707 CB GLU A 43 -9.793 -1.840 -10.675 1.00 0.36 C ATOM 708 CG GLU A 43 -9.817 -0.821 -11.793 1.00 0.48 C ATOM 709 CD GLU A 43 -10.142 -1.461 -13.122 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.326 -1.781 -13.355 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.222 -1.617 -13.947 1.00 2.36 O ATOM 0 H GLU A 43 -7.524 -1.131 -9.984 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.132 -0.375 -9.143 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.039 -2.594 -10.902 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.755 -2.351 -10.643 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.556 -0.051 -11.569 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.848 -0.325 -11.855 1.00 0.48 H new ATOM 718 N PRO A 44 -9.158 -3.438 -8.167 1.00 0.24 N ATOM 719 CA PRO A 44 -9.430 -4.480 -7.170 1.00 0.26 C ATOM 720 C PRO A 44 -9.142 -4.025 -5.738 1.00 0.24 C ATOM 721 O PRO A 44 -9.645 -4.618 -4.780 1.00 0.27 O ATOM 722 CB PRO A 44 -8.500 -5.633 -7.573 1.00 0.30 C ATOM 723 CG PRO A 44 -7.444 -5.010 -8.412 1.00 0.36 C ATOM 724 CD PRO A 44 -8.098 -3.849 -9.102 1.00 0.27 C ATOM 0 HA PRO A 44 -10.484 -4.756 -7.164 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.071 -6.117 -6.696 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.041 -6.400 -8.127 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.605 -4.679 -7.801 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.049 -5.723 -9.136 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.390 -3.041 -9.284 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.508 -4.138 -10.070 1.00 0.27 H new ATOM 732 N VAL A 45 -8.354 -2.965 -5.593 1.00 0.20 N ATOM 733 CA VAL A 45 -8.046 -2.424 -4.275 1.00 0.19 C ATOM 734 C VAL A 45 -9.096 -1.394 -3.866 1.00 0.17 C ATOM 735 O VAL A 45 -9.471 -1.304 -2.699 1.00 0.18 O ATOM 736 CB VAL A 45 -6.636 -1.789 -4.230 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.355 -1.171 -2.867 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.582 -2.826 -4.570 1.00 0.23 C ATOM 0 H VAL A 45 -7.919 -2.465 -6.369 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.060 -3.254 -3.569 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.599 -0.992 -4.973 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.357 -0.732 -2.865 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.093 -0.396 -2.660 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.414 -1.942 -2.099 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.594 -2.366 -4.535 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.628 -3.642 -3.849 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -5.765 -3.216 -5.571 1.00 0.23 H new ATOM 748 N LYS A 46 -9.589 -0.633 -4.833 1.00 0.15 N ATOM 749 CA LYS A 46 -10.659 0.321 -4.574 1.00 0.15 C ATOM 750 C LYS A 46 -11.957 -0.424 -4.290 1.00 0.17 C ATOM 751 O LYS A 46 -12.796 0.030 -3.510 1.00 0.20 O ATOM 752 CB LYS A 46 -10.847 1.253 -5.771 1.00 0.17 C ATOM 753 CG LYS A 46 -11.682 2.483 -5.467 1.00 0.20 C ATOM 754 CD LYS A 46 -11.826 3.368 -6.693 1.00 0.27 C ATOM 755 CE LYS A 46 -12.569 4.652 -6.369 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.827 5.469 -7.584 1.00 1.36 N ATOM 0 H LYS A 46 -9.267 -0.657 -5.801 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.389 0.921 -3.705 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.868 1.570 -6.129 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.318 0.697 -6.581 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.669 2.178 -5.118 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.219 3.049 -4.659 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.839 3.608 -7.088 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.359 2.825 -7.474 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.516 4.411 -5.887 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.988 5.237 -5.656 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.336 6.336 -7.318 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.923 5.722 -8.031 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.403 4.921 -8.255 1.00 1.36 H new ATOM 770 N ALA A 47 -12.095 -1.588 -4.918 1.00 0.18 N ATOM 771 CA ALA A 47 -13.273 -2.430 -4.756 1.00 0.22 C ATOM 772 C ALA A 47 -13.411 -2.937 -3.322 1.00 0.22 C ATOM 773 O ALA A 47 -14.476 -3.407 -2.922 1.00 0.27 O ATOM 774 CB ALA A 47 -13.224 -3.599 -5.730 1.00 0.26 C ATOM 0 H ALA A 47 -11.394 -1.972 -5.552 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.149 -1.820 -4.976 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.110 -4.220 -5.598 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.195 -3.220 -6.752 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.332 -4.195 -5.539 1.00 0.26 H new ATOM 780 N ILE A 48 -12.334 -2.841 -2.549 1.00 0.20 N ATOM 781 CA ILE A 48 -12.373 -3.208 -1.141 1.00 0.21 C ATOM 782 C ILE A 48 -13.257 -2.231 -0.378 1.00 0.21 C ATOM 783 O ILE A 48 -13.969 -2.607 0.554 1.00 0.23 O ATOM 784 CB ILE A 48 -10.959 -3.226 -0.521 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.050 -4.140 -1.345 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.019 -3.698 0.924 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.608 -4.129 -0.896 1.00 0.21 C ATOM 0 H ILE A 48 -11.425 -2.512 -2.875 1.00 0.20 H new ATOM 0 HA ILE A 48 -12.786 -4.214 -1.067 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.552 -2.215 -0.532 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.430 -5.160 -1.291 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.098 -3.837 -2.391 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.014 -3.705 1.346 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.651 -3.023 1.501 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.435 -4.705 0.961 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.025 -4.800 -1.527 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.209 -3.118 -0.977 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.547 -4.461 0.140 1.00 0.21 H new ATOM 799 N CYS A 49 -13.236 -0.980 -0.817 1.00 0.20 N ATOM 800 CA CYS A 49 -13.994 0.072 -0.170 1.00 0.21 C ATOM 801 C CYS A 49 -15.291 0.358 -0.922 1.00 0.25 C ATOM 802 O CYS A 49 -15.980 1.344 -0.647 1.00 0.25 O ATOM 803 CB CYS A 49 -13.127 1.322 -0.093 1.00 0.19 C ATOM 804 SG CYS A 49 -11.601 1.069 0.860 1.00 0.18 S ATOM 0 H CYS A 49 -12.696 -0.671 -1.626 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.268 -0.247 0.835 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.870 1.642 -1.103 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.702 2.129 0.360 1.00 0.19 H new ATOM 809 N LYS A 50 -15.627 -0.523 -1.861 1.00 0.32 N ATOM 810 CA LYS A 50 -16.830 -0.373 -2.670 1.00 0.40 C ATOM 811 C LYS A 50 -18.083 -0.385 -1.799 1.00 0.39 C ATOM 812 O LYS A 50 -18.443 -1.408 -1.220 1.00 0.47 O ATOM 813 CB LYS A 50 -16.911 -1.483 -3.720 1.00 0.54 C ATOM 814 CG LYS A 50 -18.108 -1.357 -4.649 1.00 0.68 C ATOM 815 CD LYS A 50 -18.147 -2.479 -5.675 1.00 0.92 C ATOM 816 CE LYS A 50 -18.388 -3.836 -5.025 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.754 -3.951 -4.439 1.00 2.33 N ATOM 0 H LYS A 50 -15.077 -1.354 -2.080 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.774 0.591 -3.177 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -15.998 -1.476 -4.315 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -16.954 -2.448 -3.214 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.026 -1.369 -4.062 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.070 -0.396 -5.162 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.935 -2.279 -6.401 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.206 -2.502 -6.224 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.247 -4.622 -5.767 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -17.646 -3.999 -4.244 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.924 -4.934 -4.146 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.831 -3.325 -3.612 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -20.461 -3.674 -5.150 1.00 2.33 H new ATOM 831 N GLY A 51 -18.734 0.763 -1.704 1.00 0.36 N ATOM 832 CA GLY A 51 -19.959 0.858 -0.942 1.00 0.38 C ATOM 833 C GLY A 51 -19.733 1.412 0.449 1.00 0.37 C ATOM 834 O GLY A 51 -20.679 1.578 1.217 1.00 0.44 O ATOM 0 H GLY A 51 -18.434 1.634 -2.143 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.666 1.495 -1.473 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.414 -0.129 -0.867 1.00 0.38 H new ATOM 838 N ILE A 52 -18.483 1.700 0.780 1.00 0.31 N ATOM 839 CA ILE A 52 -18.161 2.247 2.089 1.00 0.29 C ATOM 840 C ILE A 52 -17.954 3.753 1.985 1.00 0.29 C ATOM 841 O ILE A 52 -16.857 4.222 1.684 1.00 0.27 O ATOM 842 CB ILE A 52 -16.889 1.609 2.684 1.00 0.26 C ATOM 843 CG1 ILE A 52 -16.910 0.082 2.524 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.746 1.990 4.152 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.092 -0.596 3.182 1.00 0.33 C ATOM 0 H ILE A 52 -17.680 1.565 0.165 1.00 0.31 H new ATOM 0 HA ILE A 52 -18.999 2.022 2.749 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.028 1.992 2.136 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -16.912 -0.160 1.461 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -15.991 -0.328 2.943 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.844 1.533 4.560 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.676 3.074 4.241 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.615 1.636 4.706 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.030 -1.672 3.021 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.082 -0.388 4.252 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.017 -0.217 2.747 1.00 0.33 H new ATOM 857 N ILE A 53 -19.017 4.505 2.213 1.00 0.33 N ATOM 858 CA ILE A 53 -18.958 5.951 2.130 1.00 0.35 C ATOM 859 C ILE A 53 -18.432 6.536 3.432 1.00 0.34 C ATOM 860 O ILE A 53 -17.502 7.340 3.428 1.00 0.35 O ATOM 861 CB ILE A 53 -20.341 6.550 1.788 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.699 6.291 0.318 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.373 8.046 2.078 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.814 4.832 -0.067 1.00 0.55 C ATOM 0 H ILE A 53 -19.935 4.134 2.458 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.272 6.213 1.325 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.081 6.059 2.419 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.646 6.784 0.098 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.942 6.758 -0.312 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.357 8.444 1.829 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.170 8.216 3.135 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.615 8.549 1.477 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.070 4.754 -1.124 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.863 4.332 0.114 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.593 4.358 0.531 1.00 0.55 H new ATOM 876 N ALA A 54 -19.022 6.123 4.544 1.00 0.37 N ATOM 877 CA ALA A 54 -18.563 6.565 5.851 1.00 0.38 C ATOM 878 C ALA A 54 -17.162 6.039 6.126 1.00 0.33 C ATOM 879 O ALA A 54 -16.881 4.864 5.889 1.00 0.32 O ATOM 880 CB ALA A 54 -19.519 6.112 6.940 1.00 0.46 C ATOM 0 H ALA A 54 -19.817 5.484 4.567 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.535 7.655 5.852 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.155 6.454 7.909 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.507 6.532 6.754 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.582 5.024 6.940 1.00 0.46 H new ATOM 886 N SER A 55 -16.291 6.929 6.589 1.00 0.34 N ATOM 887 CA SER A 55 -14.907 6.590 6.901 1.00 0.34 C ATOM 888 C SER A 55 -14.851 5.396 7.856 1.00 0.32 C ATOM 889 O SER A 55 -15.131 5.528 9.053 1.00 0.36 O ATOM 890 CB SER A 55 -14.201 7.803 7.512 1.00 0.41 C ATOM 891 OG SER A 55 -12.790 7.667 7.465 1.00 1.42 O ATOM 0 H SER A 55 -16.525 7.907 6.759 1.00 0.34 H new ATOM 0 HA SER A 55 -14.394 6.312 5.980 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.498 8.705 6.976 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.520 7.927 8.547 1.00 0.41 H new ATOM 0 HG SER A 55 -12.412 8.371 6.897 1.00 1.42 H new ATOM 897 N LYS A 56 -14.509 4.233 7.325 1.00 0.30 N ATOM 898 CA LYS A 56 -14.528 3.006 8.102 1.00 0.31 C ATOM 899 C LYS A 56 -13.318 2.135 7.778 1.00 0.29 C ATOM 900 O LYS A 56 -12.995 1.910 6.613 1.00 0.27 O ATOM 901 CB LYS A 56 -15.825 2.240 7.817 1.00 0.34 C ATOM 902 CG LYS A 56 -16.020 0.994 8.666 1.00 0.40 C ATOM 903 CD LYS A 56 -17.368 0.344 8.389 1.00 0.51 C ATOM 904 CE LYS A 56 -17.621 -0.843 9.303 1.00 0.94 C ATOM 905 NZ LYS A 56 -17.574 -0.461 10.739 1.00 1.71 N ATOM 0 H LYS A 56 -14.214 4.114 6.356 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.483 3.262 9.161 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.670 2.909 7.977 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.840 1.954 6.765 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.221 0.282 8.460 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -15.950 1.256 9.722 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.161 1.080 8.522 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.407 0.017 7.350 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.595 -1.275 9.075 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.877 -1.615 9.109 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.025 -1.204 11.311 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -16.584 -0.348 11.036 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.081 0.437 10.876 1.00 1.71 H new ATOM 919 N ASN A 57 -12.654 1.662 8.819 1.00 0.36 N ATOM 920 CA ASN A 57 -11.522 0.754 8.668 1.00 0.37 C ATOM 921 C ASN A 57 -12.024 -0.649 8.361 1.00 0.33 C ATOM 922 O ASN A 57 -12.644 -1.286 9.212 1.00 0.41 O ATOM 923 CB ASN A 57 -10.684 0.725 9.950 1.00 0.50 C ATOM 924 CG ASN A 57 -9.799 1.946 10.125 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.085 3.027 9.613 1.00 1.49 O ATOM 926 ND2 ASN A 57 -8.714 1.780 10.866 1.00 1.13 N ATOM 0 H ASN A 57 -12.879 1.892 9.787 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.900 1.109 7.846 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.351 0.644 10.808 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.060 -0.168 9.946 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -8.082 2.564 11.028 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -8.510 0.868 11.274 1.00 1.13 H new ATOM 933 N VAL A 58 -11.778 -1.127 7.152 1.00 0.28 N ATOM 934 CA VAL A 58 -12.251 -2.446 6.760 1.00 0.27 C ATOM 935 C VAL A 58 -11.079 -3.389 6.498 1.00 0.25 C ATOM 936 O VAL A 58 -10.067 -3.002 5.909 1.00 0.25 O ATOM 937 CB VAL A 58 -13.172 -2.390 5.517 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.277 -1.358 5.709 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.378 -2.112 4.249 1.00 0.57 C ATOM 0 H VAL A 58 -11.258 -0.627 6.430 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.839 -2.830 7.593 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.638 -3.369 5.403 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.912 -1.336 4.823 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.877 -1.625 6.579 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.833 -0.374 5.862 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.055 -2.079 3.395 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.866 -1.154 4.343 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.643 -2.903 4.099 1.00 0.57 H new ATOM 949 N LEU A 59 -11.216 -4.618 6.964 1.00 0.28 N ATOM 950 CA LEU A 59 -10.187 -5.627 6.797 1.00 0.26 C ATOM 951 C LEU A 59 -10.601 -6.594 5.689 1.00 0.26 C ATOM 952 O LEU A 59 -11.747 -7.042 5.643 1.00 0.30 O ATOM 953 CB LEU A 59 -9.971 -6.342 8.143 1.00 0.30 C ATOM 954 CG LEU A 59 -8.848 -7.384 8.218 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.358 -8.762 7.843 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.673 -6.992 7.338 1.00 0.67 C ATOM 0 H LEU A 59 -12.041 -4.943 7.467 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.241 -5.174 6.499 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.776 -5.582 8.900 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.905 -6.833 8.417 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.500 -7.418 9.250 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.541 -9.481 7.905 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.152 -9.055 8.529 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.747 -8.741 6.825 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.894 -7.750 7.413 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -8.004 -6.913 6.303 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.277 -6.031 7.667 1.00 0.67 H new ATOM 968 N THR A 60 -9.671 -6.900 4.795 1.00 0.22 N ATOM 969 CA THR A 60 -9.979 -7.694 3.615 1.00 0.22 C ATOM 970 C THR A 60 -10.297 -9.140 3.966 1.00 0.24 C ATOM 971 O THR A 60 -9.803 -9.686 4.950 1.00 0.33 O ATOM 972 CB THR A 60 -8.823 -7.655 2.595 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.596 -8.064 3.213 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.659 -6.260 2.017 1.00 0.24 C ATOM 0 H THR A 60 -8.696 -6.610 4.865 1.00 0.22 H new ATOM 0 HA THR A 60 -10.866 -7.247 3.167 1.00 0.22 H new ATOM 0 HB THR A 60 -9.066 -8.345 1.787 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.291 -8.904 2.811 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.838 -6.257 1.300 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.580 -5.964 1.515 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.441 -5.556 2.821 1.00 0.24 H new ATOM 982 N THR A 61 -11.134 -9.748 3.146 1.00 0.27 N ATOM 983 CA THR A 61 -11.569 -11.116 3.350 1.00 0.33 C ATOM 984 C THR A 61 -10.570 -12.110 2.770 1.00 0.33 C ATOM 985 O THR A 61 -10.621 -13.305 3.053 1.00 0.43 O ATOM 986 CB THR A 61 -12.932 -11.319 2.691 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.927 -10.725 1.384 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.033 -10.694 3.530 1.00 0.46 C ATOM 0 H THR A 61 -11.532 -9.305 2.318 1.00 0.27 H new ATOM 0 HA THR A 61 -11.640 -11.294 4.423 1.00 0.33 H new ATOM 0 HB THR A 61 -13.123 -12.389 2.609 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.801 -10.857 0.961 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.995 -10.850 3.042 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.047 -11.158 4.516 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.848 -9.625 3.634 1.00 0.46 H new ATOM 996 N SER A 62 -9.653 -11.591 1.978 1.00 0.28 N ATOM 997 CA SER A 62 -8.672 -12.406 1.276 1.00 0.31 C ATOM 998 C SER A 62 -7.300 -11.747 1.360 1.00 0.26 C ATOM 999 O SER A 62 -7.202 -10.544 1.637 1.00 0.24 O ATOM 1000 CB SER A 62 -9.082 -12.564 -0.191 1.00 0.41 C ATOM 1001 OG SER A 62 -10.463 -12.872 -0.310 1.00 1.09 O ATOM 0 H SER A 62 -9.564 -10.591 1.800 1.00 0.28 H new ATOM 0 HA SER A 62 -8.626 -13.390 1.742 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.864 -11.644 -0.733 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.490 -13.354 -0.653 1.00 0.41 H new ATOM 0 HG SER A 62 -10.697 -12.966 -1.257 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.248 -12.525 1.145 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.900 -11.988 1.155 1.00 0.23 C ATOM 1009 C GLU A 63 -4.548 -11.433 -0.216 1.00 0.24 C ATOM 1010 O GLU A 63 -5.022 -11.925 -1.241 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.861 -13.048 1.557 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.164 -13.780 2.859 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.266 -14.805 2.729 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.016 -15.884 2.159 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.390 -14.539 3.197 1.00 2.06 O ATOM 0 H GLU A 63 -6.305 -13.527 0.962 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.875 -11.191 1.898 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.782 -13.781 0.754 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.887 -12.566 1.646 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.258 -14.274 3.209 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.444 -13.052 3.620 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.729 -10.399 -0.231 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.252 -9.825 -1.474 1.00 0.17 C ATOM 1024 C PHE A 64 -1.743 -9.947 -1.542 1.00 0.16 C ATOM 1025 O PHE A 64 -1.089 -10.214 -0.530 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.664 -8.359 -1.597 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.132 -8.154 -1.855 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.049 -8.301 -0.829 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.594 -7.823 -3.118 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.399 -8.121 -1.055 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.944 -7.642 -3.352 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.838 -7.759 -2.342 1.00 0.28 C ATOM 0 H PHE A 64 -3.379 -9.937 0.608 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.702 -10.372 -2.303 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.391 -7.838 -0.680 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.096 -7.900 -2.406 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.704 -8.560 0.161 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.891 -7.705 -3.929 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.110 -8.256 -0.253 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.288 -7.405 -4.348 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.887 -7.575 -2.524 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.194 -9.750 -2.723 1.00 0.17 N ATOM 1043 CA TYR A 65 0.237 -9.870 -2.916 1.00 0.16 C ATOM 1044 C TYR A 65 0.913 -8.585 -2.479 1.00 0.16 C ATOM 1045 O TYR A 65 0.916 -7.598 -3.198 1.00 0.18 O ATOM 1046 CB TYR A 65 0.547 -10.180 -4.377 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.212 -11.378 -4.901 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.061 -12.654 -4.429 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.213 -11.231 -5.855 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.637 -13.751 -4.894 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.916 -12.323 -6.324 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.625 -13.580 -5.842 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.321 -14.673 -6.310 1.00 0.66 O ATOM 0 H TYR A 65 -1.717 -9.506 -3.564 1.00 0.17 H new ATOM 0 HA TYR A 65 0.619 -10.691 -2.310 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.306 -9.309 -4.986 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.617 -10.359 -4.486 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.832 -12.791 -3.686 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.444 -10.247 -6.235 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.411 -14.738 -4.518 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.690 -12.192 -7.065 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.982 -14.381 -6.972 1.00 0.66 H new ATOM 1063 N LEU A 66 1.469 -8.598 -1.289 1.00 0.15 N ATOM 1064 CA LEU A 66 2.000 -7.392 -0.684 1.00 0.16 C ATOM 1065 C LEU A 66 3.513 -7.347 -0.801 1.00 0.16 C ATOM 1066 O LEU A 66 4.171 -8.387 -0.882 1.00 0.20 O ATOM 1067 CB LEU A 66 1.583 -7.322 0.783 1.00 0.18 C ATOM 1068 CG LEU A 66 0.075 -7.403 1.021 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.228 -7.381 2.506 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.647 -6.264 0.313 1.00 0.19 C ATOM 0 H LEU A 66 1.567 -9.436 -0.715 1.00 0.15 H new ATOM 0 HA LEU A 66 1.593 -6.531 -1.215 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.067 -8.135 1.324 1.00 0.18 H new ATOM 0 HB3 LEU A 66 1.955 -6.390 1.209 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.286 -8.344 0.606 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.306 -7.439 2.658 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.253 -8.232 2.988 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.150 -6.456 2.941 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.719 -6.343 0.497 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.283 -5.310 0.694 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.457 -6.323 -0.759 1.00 0.19 H new ATOM 1082 N SER A 67 4.054 -6.142 -0.835 1.00 0.17 N ATOM 1083 CA SER A 67 5.488 -5.947 -0.866 1.00 0.18 C ATOM 1084 C SER A 67 5.890 -4.978 0.239 1.00 0.22 C ATOM 1085 O SER A 67 5.561 -3.790 0.193 1.00 0.26 O ATOM 1086 CB SER A 67 5.905 -5.399 -2.229 1.00 0.22 C ATOM 1087 OG SER A 67 5.350 -6.176 -3.278 1.00 0.29 O ATOM 0 H SER A 67 3.513 -5.277 -0.842 1.00 0.17 H new ATOM 0 HA SER A 67 5.991 -6.900 -0.704 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.577 -4.364 -2.325 1.00 0.22 H new ATOM 0 HB3 SER A 67 6.992 -5.398 -2.308 1.00 0.22 H new ATOM 0 HG SER A 67 6.072 -6.584 -3.800 1.00 0.29 H new ATOM 1093 N ASP A 68 6.583 -5.497 1.237 1.00 0.26 N ATOM 1094 CA ASP A 68 6.961 -4.706 2.398 1.00 0.34 C ATOM 1095 C ASP A 68 8.347 -4.115 2.217 1.00 0.29 C ATOM 1096 O ASP A 68 9.335 -4.841 2.130 1.00 0.34 O ATOM 1097 CB ASP A 68 6.928 -5.563 3.666 1.00 0.46 C ATOM 1098 CG ASP A 68 7.333 -4.785 4.904 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.448 -4.188 5.551 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.533 -4.778 5.248 1.00 2.01 O ATOM 0 H ASP A 68 6.897 -6.467 1.268 1.00 0.26 H new ATOM 0 HA ASP A 68 6.242 -3.893 2.499 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.923 -5.963 3.804 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.596 -6.415 3.542 1.00 0.46 H new ATOM 1105 N CYS A 69 8.413 -2.801 2.136 1.00 0.28 N ATOM 1106 CA CYS A 69 9.689 -2.119 2.064 1.00 0.26 C ATOM 1107 C CYS A 69 9.985 -1.420 3.377 1.00 0.30 C ATOM 1108 O CYS A 69 9.248 -0.531 3.796 1.00 0.35 O ATOM 1109 CB CYS A 69 9.686 -1.117 0.914 1.00 0.25 C ATOM 1110 SG CYS A 69 9.841 -1.890 -0.723 1.00 0.62 S ATOM 0 H CYS A 69 7.600 -2.186 2.118 1.00 0.28 H new ATOM 0 HA CYS A 69 10.471 -2.855 1.880 1.00 0.26 H new ATOM 0 HB2 CYS A 69 8.762 -0.540 0.948 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.507 -0.413 1.054 1.00 0.25 H new ATOM 1115 N ASN A 70 11.069 -1.818 4.015 1.00 0.35 N ATOM 1116 CA ASN A 70 11.456 -1.257 5.298 1.00 0.42 C ATOM 1117 C ASN A 70 12.903 -0.795 5.251 1.00 0.44 C ATOM 1118 O ASN A 70 13.688 -1.286 4.443 1.00 0.49 O ATOM 1119 CB ASN A 70 11.252 -2.286 6.419 1.00 0.51 C ATOM 1120 CG ASN A 70 11.963 -3.604 6.155 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.133 -3.774 6.495 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.254 -4.556 5.563 1.00 1.08 N ATOM 0 H ASN A 70 11.704 -2.535 3.663 1.00 0.35 H new ATOM 0 HA ASN A 70 10.823 -0.395 5.509 1.00 0.42 H new ATOM 0 HB2 ASN A 70 11.613 -1.867 7.359 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.185 -2.474 6.542 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.677 -5.465 5.376 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.286 -4.379 5.295 1.00 1.08 H new ATOM 1129 N VAL A 71 13.239 0.167 6.094 1.00 0.47 N ATOM 1130 CA VAL A 71 14.578 0.728 6.118 1.00 0.51 C ATOM 1131 C VAL A 71 15.543 -0.206 6.836 1.00 0.56 C ATOM 1132 O VAL A 71 15.216 -0.823 7.857 1.00 0.60 O ATOM 1133 CB VAL A 71 14.581 2.141 6.755 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.330 2.089 8.252 1.00 0.90 C ATOM 1135 CG2 VAL A 71 15.875 2.877 6.453 1.00 0.82 C ATOM 0 H VAL A 71 12.599 0.577 6.774 1.00 0.47 H new ATOM 0 HA VAL A 71 14.919 0.833 5.088 1.00 0.51 H new ATOM 0 HB VAL A 71 13.758 2.695 6.303 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.340 3.101 8.658 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.359 1.632 8.442 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.110 1.498 8.731 1.00 0.90 H new ATOM 0 HG21 VAL A 71 15.848 3.865 6.913 1.00 0.82 H new ATOM 0 HG22 VAL A 71 16.717 2.313 6.855 1.00 0.82 H new ATOM 0 HG23 VAL A 71 15.991 2.982 5.374 1.00 0.82 H new ATOM 1145 N THR A 72 16.721 -0.335 6.261 1.00 0.58 N ATOM 1146 CA THR A 72 17.733 -1.231 6.772 1.00 0.64 C ATOM 1147 C THR A 72 18.667 -0.506 7.734 1.00 0.75 C ATOM 1148 O THR A 72 18.269 0.439 8.417 1.00 0.93 O ATOM 1149 CB THR A 72 18.552 -1.834 5.613 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.106 -0.782 4.814 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.687 -2.731 4.742 1.00 0.78 C ATOM 0 H THR A 72 17.002 0.179 5.426 1.00 0.58 H new ATOM 0 HA THR A 72 17.228 -2.033 7.311 1.00 0.64 H new ATOM 0 HB THR A 72 19.354 -2.436 6.039 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.387 -0.327 4.328 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.290 -3.143 3.933 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.284 -3.545 5.345 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.866 -2.149 4.323 1.00 0.78 H new ATOM 1159 N SER A 73 19.908 -0.954 7.770 1.00 0.86 N ATOM 1160 CA SER A 73 20.908 -0.389 8.660 1.00 1.02 C ATOM 1161 C SER A 73 21.603 0.792 7.994 1.00 0.90 C ATOM 1162 O SER A 73 22.445 1.463 8.599 1.00 0.99 O ATOM 1163 CB SER A 73 21.917 -1.459 9.043 1.00 1.33 C ATOM 1164 OG SER A 73 21.267 -2.596 9.587 1.00 1.87 O ATOM 0 H SER A 73 20.251 -1.717 7.186 1.00 0.86 H new ATOM 0 HA SER A 73 20.418 -0.029 9.565 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.495 -1.750 8.166 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.622 -1.056 9.770 1.00 1.33 H new ATOM 0 HG SER A 73 21.935 -3.272 9.825 1.00 1.87 H new ATOM 1170 N ARG A 74 21.255 1.030 6.738 1.00 0.81 N ATOM 1171 CA ARG A 74 21.755 2.181 6.015 1.00 0.76 C ATOM 1172 C ARG A 74 20.644 3.202 5.840 1.00 0.68 C ATOM 1173 O ARG A 74 19.480 2.842 5.644 1.00 0.63 O ATOM 1174 CB ARG A 74 22.334 1.767 4.664 1.00 0.88 C ATOM 1175 CG ARG A 74 23.692 1.105 4.783 1.00 1.40 C ATOM 1176 CD ARG A 74 24.227 0.667 3.429 1.00 1.55 C ATOM 1177 NE ARG A 74 25.496 -0.048 3.550 1.00 2.35 N ATOM 1178 CZ ARG A 74 26.591 0.250 2.851 1.00 2.74 C ATOM 1179 NH1 ARG A 74 26.578 1.255 1.985 1.00 2.41 N ATOM 1180 NH2 ARG A 74 27.695 -0.463 3.021 1.00 3.76 N ATOM 0 H ARG A 74 20.625 0.436 6.200 1.00 0.81 H new ATOM 0 HA ARG A 74 22.560 2.635 6.593 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.643 1.082 4.173 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.419 2.646 4.026 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.395 1.798 5.245 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.618 0.240 5.442 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.494 0.026 2.939 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.362 1.541 2.792 1.00 1.55 H new ATOM 0 HE ARG A 74 25.547 -0.823 4.211 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.728 1.803 1.852 1.00 2.41 H new ATOM 0 HH12 ARG A 74 27.418 1.480 1.452 1.00 2.41 H new ATOM 0 HH21 ARG A 74 27.705 -1.237 3.685 1.00 3.76 H new ATOM 0 HH22 ARG A 74 28.535 -0.238 2.488 1.00 3.76 H new ATOM 1194 N PRO A 75 20.993 4.488 5.902 1.00 0.74 N ATOM 1195 CA PRO A 75 20.013 5.561 5.893 1.00 0.74 C ATOM 1196 C PRO A 75 19.338 5.702 4.541 1.00 0.65 C ATOM 1197 O PRO A 75 19.994 5.913 3.519 1.00 0.70 O ATOM 1198 CB PRO A 75 20.822 6.808 6.227 1.00 0.92 C ATOM 1199 CG PRO A 75 22.225 6.487 5.832 1.00 1.05 C ATOM 1200 CD PRO A 75 22.376 4.989 5.940 1.00 0.92 C ATOM 0 HA PRO A 75 19.204 5.377 6.600 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.449 7.676 5.683 1.00 0.92 H new ATOM 0 HB3 PRO A 75 20.757 7.046 7.289 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.427 6.824 4.815 1.00 1.05 H new ATOM 0 HG3 PRO A 75 22.936 6.995 6.483 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.969 4.587 5.118 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.878 4.704 6.864 1.00 0.92 H new ATOM 1208 N CYS A 76 18.021 5.564 4.553 1.00 0.57 N ATOM 1209 CA CYS A 76 17.213 5.633 3.338 1.00 0.52 C ATOM 1210 C CYS A 76 17.557 4.488 2.375 1.00 0.51 C ATOM 1211 O CYS A 76 17.390 4.606 1.162 1.00 0.55 O ATOM 1212 CB CYS A 76 17.380 7.000 2.657 1.00 0.58 C ATOM 1213 SG CYS A 76 16.931 8.418 3.723 1.00 1.55 S ATOM 0 H CYS A 76 17.480 5.401 5.402 1.00 0.57 H new ATOM 0 HA CYS A 76 16.166 5.519 3.620 1.00 0.52 H new ATOM 0 HB2 CYS A 76 18.416 7.112 2.337 1.00 0.58 H new ATOM 0 HB3 CYS A 76 16.765 7.025 1.758 1.00 0.58 H new ATOM 1218 N LYS A 77 18.031 3.373 2.928 1.00 0.50 N ATOM 1219 CA LYS A 77 18.236 2.157 2.149 1.00 0.50 C ATOM 1220 C LYS A 77 17.167 1.136 2.529 1.00 0.47 C ATOM 1221 O LYS A 77 16.978 0.841 3.710 1.00 0.51 O ATOM 1222 CB LYS A 77 19.639 1.592 2.389 1.00 0.60 C ATOM 1223 CG LYS A 77 19.910 0.284 1.657 1.00 1.30 C ATOM 1224 CD LYS A 77 19.768 0.431 0.147 1.00 1.57 C ATOM 1225 CE LYS A 77 20.799 1.393 -0.425 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.762 1.428 -1.910 1.00 2.60 N ATOM 0 H LYS A 77 18.280 3.288 3.914 1.00 0.50 H new ATOM 0 HA LYS A 77 18.151 2.388 1.087 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.376 2.332 2.077 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.779 1.434 3.458 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.916 -0.062 1.894 1.00 1.30 H new ATOM 0 HG3 LYS A 77 19.219 -0.480 2.013 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.880 -0.545 -0.326 1.00 1.57 H new ATOM 0 HD3 LYS A 77 18.766 0.788 -0.091 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.617 2.394 -0.034 1.00 2.24 H new ATOM 0 HE3 LYS A 77 21.794 1.097 -0.094 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.117 2.346 -2.245 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.359 0.666 -2.290 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.783 1.296 -2.236 1.00 2.60 H new ATOM 1240 N TYR A 78 16.477 0.597 1.531 1.00 0.45 N ATOM 1241 CA TYR A 78 15.255 -0.159 1.775 1.00 0.47 C ATOM 1242 C TYR A 78 15.422 -1.645 1.485 1.00 0.52 C ATOM 1243 O TYR A 78 16.215 -2.046 0.632 1.00 0.59 O ATOM 1244 CB TYR A 78 14.134 0.411 0.907 1.00 0.48 C ATOM 1245 CG TYR A 78 14.217 1.910 0.753 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.752 2.760 1.746 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.772 2.472 -0.387 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.839 4.129 1.602 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.860 3.838 -0.539 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.393 4.663 0.456 1.00 1.17 C ATOM 1251 OH TYR A 78 14.483 6.024 0.308 1.00 1.44 O ATOM 0 H TYR A 78 16.742 0.669 0.549 1.00 0.45 H new ATOM 0 HA TYR A 78 15.010 -0.063 2.833 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.172 -0.053 -0.078 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.172 0.148 1.346 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.317 2.345 2.643 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.142 1.827 -1.170 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.475 4.781 2.383 1.00 1.15 H new ATOM 0 HE2 TYR A 78 15.293 4.258 -1.435 1.00 0.99 H new ATOM 0 HH TYR A 78 15.262 6.242 -0.245 1.00 1.44 H new ATOM 1261 N LYS A 79 14.658 -2.447 2.209 1.00 0.53 N ATOM 1262 CA LYS A 79 14.619 -3.885 2.009 1.00 0.58 C ATOM 1263 C LYS A 79 13.253 -4.285 1.461 1.00 0.46 C ATOM 1264 O LYS A 79 12.227 -3.861 1.993 1.00 0.47 O ATOM 1265 CB LYS A 79 14.875 -4.605 3.335 1.00 0.78 C ATOM 1266 CG LYS A 79 15.162 -6.084 3.183 1.00 1.39 C ATOM 1267 CD LYS A 79 15.146 -6.805 4.521 1.00 2.02 C ATOM 1268 CE LYS A 79 15.777 -8.186 4.419 1.00 2.63 C ATOM 1269 NZ LYS A 79 15.156 -9.017 3.355 1.00 3.52 N ATOM 0 H LYS A 79 14.045 -2.117 2.955 1.00 0.53 H new ATOM 0 HA LYS A 79 15.394 -4.169 1.297 1.00 0.58 H new ATOM 0 HB2 LYS A 79 15.718 -4.131 3.838 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.006 -4.478 3.980 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.421 -6.531 2.521 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.135 -6.218 2.710 1.00 1.39 H new ATOM 0 HD2 LYS A 79 15.683 -6.212 5.261 1.00 2.02 H new ATOM 0 HD3 LYS A 79 14.119 -6.899 4.873 1.00 2.02 H new ATOM 0 HE2 LYS A 79 16.843 -8.081 4.218 1.00 2.63 H new ATOM 0 HE3 LYS A 79 15.682 -8.697 5.377 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 15.536 -9.984 3.403 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 14.125 -9.043 3.492 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 15.371 -8.606 2.424 1.00 3.52 H new ATOM 1283 N LEU A 80 13.242 -5.086 0.406 1.00 0.45 N ATOM 1284 CA LEU A 80 11.993 -5.520 -0.214 1.00 0.41 C ATOM 1285 C LEU A 80 11.577 -6.882 0.336 1.00 0.42 C ATOM 1286 O LEU A 80 12.420 -7.730 0.631 1.00 0.49 O ATOM 1287 CB LEU A 80 12.156 -5.565 -1.744 1.00 0.50 C ATOM 1288 CG LEU A 80 10.871 -5.741 -2.571 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.502 -7.207 -2.732 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.718 -4.975 -1.947 1.00 0.74 C ATOM 0 H LEU A 80 14.083 -5.450 -0.041 1.00 0.45 H new ATOM 0 HA LEU A 80 11.205 -4.806 0.025 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.641 -4.642 -2.062 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.834 -6.383 -1.990 1.00 0.50 H new ATOM 0 HG LEU A 80 11.067 -5.334 -3.563 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.589 -7.290 -3.322 1.00 1.34 H new ATOM 0 HD12 LEU A 80 11.311 -7.732 -3.240 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.341 -7.652 -1.750 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.820 -5.114 -2.549 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.539 -5.345 -0.938 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.966 -3.914 -1.906 1.00 0.74 H new ATOM 1302 N LYS A 81 10.277 -7.082 0.473 1.00 0.40 N ATOM 1303 CA LYS A 81 9.738 -8.313 1.033 1.00 0.44 C ATOM 1304 C LYS A 81 8.433 -8.692 0.342 1.00 0.38 C ATOM 1305 O LYS A 81 7.428 -7.995 0.474 1.00 0.36 O ATOM 1306 CB LYS A 81 9.508 -8.145 2.541 1.00 0.49 C ATOM 1307 CG LYS A 81 8.757 -9.298 3.189 1.00 0.60 C ATOM 1308 CD LYS A 81 8.505 -9.030 4.666 1.00 0.71 C ATOM 1309 CE LYS A 81 7.533 -10.033 5.271 1.00 1.18 C ATOM 1310 NZ LYS A 81 8.049 -11.428 5.219 1.00 1.87 N ATOM 0 H LYS A 81 9.568 -6.401 0.201 1.00 0.40 H new ATOM 0 HA LYS A 81 10.459 -9.114 0.869 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.473 -8.032 3.034 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.953 -7.223 2.712 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.807 -9.450 2.677 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.331 -10.218 3.076 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.450 -9.069 5.208 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.109 -8.022 4.789 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.333 -9.761 6.308 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.583 -9.980 4.739 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.366 -12.068 5.673 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 8.183 -11.712 4.227 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.959 -11.481 5.720 1.00 1.87 H new ATOM 1324 N LYS A 82 8.460 -9.778 -0.414 1.00 0.40 N ATOM 1325 CA LYS A 82 7.264 -10.280 -1.065 1.00 0.37 C ATOM 1326 C LYS A 82 6.476 -11.170 -0.112 1.00 0.36 C ATOM 1327 O LYS A 82 6.989 -12.176 0.374 1.00 0.46 O ATOM 1328 CB LYS A 82 7.634 -11.080 -2.310 1.00 0.47 C ATOM 1329 CG LYS A 82 8.593 -10.373 -3.246 1.00 0.54 C ATOM 1330 CD LYS A 82 8.613 -11.067 -4.591 1.00 0.76 C ATOM 1331 CE LYS A 82 9.643 -10.473 -5.538 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.030 -10.873 -5.183 1.00 1.10 N ATOM 0 H LYS A 82 9.300 -10.329 -0.591 1.00 0.40 H new ATOM 0 HA LYS A 82 6.650 -9.427 -1.353 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.079 -12.026 -2.000 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.722 -11.320 -2.857 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.292 -9.333 -3.369 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.595 -10.367 -2.816 1.00 0.54 H new ATOM 0 HD2 LYS A 82 8.826 -12.126 -4.446 1.00 0.76 H new ATOM 0 HD3 LYS A 82 7.625 -10.999 -5.046 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.424 -10.793 -6.557 1.00 0.90 H new ATOM 0 HE3 LYS A 82 9.565 -9.386 -5.521 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.698 -10.445 -5.856 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.250 -10.546 -4.221 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.114 -11.909 -5.224 1.00 1.10 H new ATOM 1346 N SER A 83 5.238 -10.795 0.162 1.00 0.31 N ATOM 1347 CA SER A 83 4.383 -11.586 1.033 1.00 0.36 C ATOM 1348 C SER A 83 2.953 -11.614 0.507 1.00 0.31 C ATOM 1349 O SER A 83 2.612 -10.879 -0.421 1.00 0.50 O ATOM 1350 CB SER A 83 4.403 -11.009 2.450 1.00 0.46 C ATOM 1351 OG SER A 83 5.726 -10.951 2.953 1.00 1.12 O ATOM 0 H SER A 83 4.802 -9.949 -0.205 1.00 0.31 H new ATOM 0 HA SER A 83 4.765 -12.607 1.053 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.967 -10.010 2.447 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.787 -11.624 3.106 1.00 0.46 H new ATOM 0 HG SER A 83 5.883 -11.712 3.550 1.00 1.12 H new ATOM 1357 N THR A 84 2.134 -12.480 1.080 1.00 0.25 N ATOM 1358 CA THR A 84 0.714 -12.502 0.784 1.00 0.23 C ATOM 1359 C THR A 84 -0.073 -12.517 2.091 1.00 0.22 C ATOM 1360 O THR A 84 0.000 -13.477 2.862 1.00 0.29 O ATOM 1361 CB THR A 84 0.324 -13.728 -0.069 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.264 -13.899 -1.140 1.00 0.35 O ATOM 1363 CG2 THR A 84 -1.072 -13.565 -0.654 1.00 0.27 C ATOM 0 H THR A 84 2.433 -13.181 1.758 1.00 0.25 H new ATOM 0 HA THR A 84 0.476 -11.608 0.208 1.00 0.23 H new ATOM 0 HB THR A 84 0.335 -14.605 0.579 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.011 -14.679 -1.676 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.321 -14.443 -1.250 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.795 -13.458 0.155 1.00 0.27 H new ATOM 0 HG23 THR A 84 -1.100 -12.677 -1.286 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.798 -11.441 2.347 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.557 -11.304 3.581 1.00 0.18 C ATOM 1373 C ASN A 85 -2.746 -10.391 3.330 1.00 0.17 C ATOM 1374 O ASN A 85 -2.778 -9.678 2.326 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.690 -10.712 4.695 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.146 -11.121 6.087 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.314 -11.442 6.309 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.225 -11.100 7.037 1.00 0.37 N ATOM 0 H ASN A 85 -0.878 -10.645 1.714 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.895 -12.291 3.896 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.343 -11.028 4.550 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.704 -9.625 4.619 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.472 -11.356 7.993 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.732 -10.828 6.813 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.727 -10.430 4.215 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.820 -9.484 4.169 1.00 0.19 C ATOM 1387 C LYS A 86 -4.317 -8.124 4.626 1.00 0.18 C ATOM 1388 O LYS A 86 -3.168 -7.994 5.047 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.952 -9.938 5.083 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.504 -11.316 4.765 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.606 -11.667 5.735 1.00 0.33 C ATOM 1392 CE LYS A 86 -8.338 -12.933 5.349 1.00 0.55 C ATOM 1393 NZ LYS A 86 -7.502 -14.150 5.506 1.00 1.17 N ATOM 0 H LYS A 86 -3.786 -11.109 4.974 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.197 -9.421 3.148 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.595 -9.932 6.113 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.763 -9.213 5.023 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.886 -11.337 3.744 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.708 -12.058 4.823 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.183 -11.786 6.732 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.316 -10.842 5.786 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -9.234 -13.031 5.962 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.668 -12.855 4.313 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.052 -14.889 5.988 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -7.208 -14.492 4.569 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -6.659 -13.922 6.071 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.161 -7.115 4.546 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.805 -5.800 5.051 1.00 0.18 C ATOM 1409 C PHE A 87 -6.045 -4.966 5.307 1.00 0.18 C ATOM 1410 O PHE A 87 -7.067 -5.122 4.637 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.843 -5.075 4.097 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.366 -4.864 2.702 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.090 -3.728 2.385 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.118 -5.793 1.706 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.560 -3.525 1.102 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.583 -5.591 0.422 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.305 -4.458 0.119 1.00 0.20 C ATOM 0 H PHE A 87 -6.094 -7.177 4.139 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.287 -5.939 6.000 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.594 -4.104 4.526 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.916 -5.645 4.038 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.290 -2.992 3.149 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.555 -6.685 1.936 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.127 -2.636 0.869 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.380 -6.323 -0.346 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.670 -4.301 -0.885 1.00 0.20 H new ATOM 1427 N CYS A 88 -5.964 -4.113 6.308 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.065 -3.249 6.652 1.00 0.20 C ATOM 1429 C CYS A 88 -6.813 -1.865 6.080 1.00 0.20 C ATOM 1430 O CYS A 88 -5.721 -1.309 6.239 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.231 -3.181 8.170 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.755 -2.345 8.713 1.00 0.49 S ATOM 0 H CYS A 88 -5.140 -4.003 6.898 1.00 0.20 H new ATOM 0 HA CYS A 88 -7.986 -3.649 6.228 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.222 -4.194 8.572 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.373 -2.662 8.596 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.800 -1.331 5.390 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.694 -0.003 4.820 1.00 0.22 C ATOM 1439 C VAL A 89 -8.815 0.879 5.330 1.00 0.24 C ATOM 1440 O VAL A 89 -9.937 0.414 5.541 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.719 -0.025 3.272 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.393 -0.528 2.724 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -8.873 -0.881 2.751 1.00 0.20 C ATOM 0 H VAL A 89 -8.688 -1.798 5.210 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.731 0.401 5.133 1.00 0.22 H new ATOM 0 HB VAL A 89 -7.874 0.996 2.924 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.429 -0.537 1.635 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.589 0.130 3.055 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.208 -1.538 3.089 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -8.865 -0.878 1.661 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.759 -1.903 3.112 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -9.819 -0.473 3.108 1.00 0.20 H new ATOM 1453 N THR A 90 -8.506 2.141 5.565 1.00 0.26 N ATOM 1454 CA THR A 90 -9.522 3.084 5.967 1.00 0.28 C ATOM 1455 C THR A 90 -10.298 3.534 4.735 1.00 0.25 C ATOM 1456 O THR A 90 -9.773 4.273 3.896 1.00 0.25 O ATOM 1457 CB THR A 90 -8.915 4.315 6.668 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.122 3.895 7.784 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.002 5.270 7.142 1.00 0.40 C ATOM 0 H THR A 90 -7.567 2.530 5.484 1.00 0.26 H new ATOM 0 HA THR A 90 -10.184 2.589 6.678 1.00 0.28 H new ATOM 0 HB THR A 90 -8.288 4.841 5.948 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.710 3.598 8.510 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.543 6.129 7.633 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.586 5.610 6.287 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.656 4.756 7.847 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.527 3.070 4.612 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.342 3.388 3.456 1.00 0.22 C ATOM 1469 C CYS A 91 -13.178 4.628 3.702 1.00 0.25 C ATOM 1470 O CYS A 91 -13.867 4.731 4.712 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.234 2.203 3.116 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.294 0.701 2.723 1.00 0.20 S ATOM 0 H CYS A 91 -11.983 2.471 5.300 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.683 3.594 2.613 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -13.897 2.001 3.957 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.866 2.462 2.267 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.103 5.571 2.777 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.857 6.805 2.881 1.00 0.29 C ATOM 1479 C GLU A 92 -14.375 7.199 1.505 1.00 0.27 C ATOM 1480 O GLU A 92 -13.595 7.368 0.569 1.00 0.27 O ATOM 1481 CB GLU A 92 -12.966 7.907 3.459 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.720 9.140 3.921 1.00 0.48 C ATOM 1483 CD GLU A 92 -12.816 10.124 4.634 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.428 9.857 5.792 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.493 11.179 4.042 1.00 0.76 O ATOM 0 H GLU A 92 -12.523 5.502 1.941 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.707 6.662 3.548 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.406 7.501 4.301 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.237 8.202 2.704 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.180 9.627 3.061 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.529 8.842 4.588 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.695 7.299 1.383 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.346 7.661 0.125 1.00 0.31 C ATOM 1494 C ASN A 93 -15.997 6.663 -0.976 1.00 0.28 C ATOM 1495 O ASN A 93 -15.699 7.043 -2.112 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.985 9.093 -0.291 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.556 10.131 0.660 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.594 9.912 1.286 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.891 11.270 0.772 1.00 0.65 N ATOM 0 H ASN A 93 -16.344 7.132 2.152 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.424 7.623 0.281 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.900 9.196 -0.329 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.358 9.282 -1.298 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -16.235 12.002 1.393 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -15.035 11.415 0.237 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.047 5.380 -0.607 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.859 4.260 -1.534 1.00 0.25 C ATOM 1508 C GLN A 94 -14.428 4.158 -2.045 1.00 0.22 C ATOM 1509 O GLN A 94 -14.162 3.466 -3.026 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.830 4.354 -2.710 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.288 4.264 -2.296 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.230 4.198 -3.480 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.371 4.651 -3.410 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.764 3.624 -4.573 1.00 0.48 N ATOM 0 H GLN A 94 -16.221 5.086 0.354 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.069 3.352 -0.968 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.666 5.296 -3.233 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.611 3.554 -3.418 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.431 3.380 -1.674 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.541 5.129 -1.683 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.811 3.260 -4.592 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.357 3.544 -5.399 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.505 4.819 -1.374 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.111 4.750 -1.762 1.00 0.19 C ATOM 1525 C ALA A 95 -11.203 4.621 -0.549 1.00 0.17 C ATOM 1526 O ALA A 95 -11.426 5.265 0.478 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.736 5.977 -2.577 1.00 0.21 C ATOM 0 H ALA A 95 -13.694 5.407 -0.562 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.974 3.859 -2.375 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.686 5.916 -2.864 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.355 6.022 -3.473 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.897 6.874 -1.979 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.201 3.739 -0.638 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.151 3.632 0.375 1.00 0.17 C ATOM 1535 C PRO A 96 -8.373 4.937 0.510 1.00 0.19 C ATOM 1536 O PRO A 96 -7.682 5.352 -0.417 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.237 2.521 -0.151 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.052 1.772 -1.153 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.041 2.751 -1.716 1.00 0.17 C ATOM 0 HA PRO A 96 -9.557 3.420 1.364 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.338 2.936 -0.608 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -7.911 1.866 0.657 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.419 1.364 -1.941 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.563 0.930 -0.686 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.671 3.213 -2.632 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.987 2.269 -1.962 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.504 5.593 1.654 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.842 6.875 1.868 1.00 0.24 C ATOM 1549 C VAL A 97 -6.646 6.740 2.806 1.00 0.27 C ATOM 1550 O VAL A 97 -5.690 7.508 2.722 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.817 7.938 2.426 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.931 8.227 1.431 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.398 7.493 3.757 1.00 0.35 C ATOM 0 H VAL A 97 -9.058 5.263 2.444 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.488 7.205 0.891 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.254 8.857 2.587 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.604 8.977 1.846 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.501 8.600 0.501 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.488 7.311 1.232 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.081 8.257 4.130 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.940 6.557 3.623 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.591 7.346 4.475 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.703 5.763 3.702 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.618 5.523 4.649 1.00 0.35 C ATOM 1565 C HIS A 98 -5.283 4.044 4.694 1.00 0.31 C ATOM 1566 O HIS A 98 -6.159 3.197 4.528 1.00 0.31 O ATOM 1567 CB HIS A 98 -5.984 5.996 6.063 1.00 0.42 C ATOM 1568 CG HIS A 98 -5.903 7.479 6.271 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.027 8.063 7.157 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.608 8.494 5.723 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.202 9.369 7.150 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.154 9.658 6.287 1.00 0.82 N ATOM 0 H HIS A 98 -7.491 5.122 3.794 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.755 6.093 4.306 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.998 5.666 6.290 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.322 5.506 6.777 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.385 8.404 4.978 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -4.657 10.082 7.751 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.497 10.594 6.073 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.018 3.736 4.916 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.594 2.356 5.058 1.00 0.29 C ATOM 1583 C PHE A 99 -3.370 2.045 6.529 1.00 0.29 C ATOM 1584 O PHE A 99 -2.577 2.711 7.197 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.317 2.093 4.258 1.00 0.31 C ATOM 1586 CG PHE A 99 -1.930 0.640 4.215 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.653 -0.255 3.442 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -0.852 0.169 4.947 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.308 -1.591 3.399 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.501 -1.167 4.908 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.231 -2.048 4.133 1.00 0.31 C ATOM 0 H PHE A 99 -3.268 4.422 5.002 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.375 1.705 4.665 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.454 2.456 3.239 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.499 2.667 4.694 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.496 0.097 2.866 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.280 0.854 5.555 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -2.879 -2.278 2.792 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.342 -1.522 5.482 1.00 0.33 H new ATOM 0 HZ PHE A 99 -0.960 -3.093 4.101 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.080 1.051 7.035 1.00 0.28 N ATOM 1602 CA VAL A 100 -3.985 0.687 8.438 1.00 0.28 C ATOM 1603 C VAL A 100 -2.815 -0.269 8.663 1.00 0.28 C ATOM 1604 O VAL A 100 -1.790 0.102 9.243 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.296 0.037 8.929 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.209 -0.301 10.408 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.493 0.944 8.639 1.00 0.29 C ATOM 0 H VAL A 100 -4.730 0.481 6.494 1.00 0.28 H new ATOM 0 HA VAL A 100 -3.815 1.599 9.011 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.442 -0.894 8.381 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.144 -0.758 10.732 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.388 -0.998 10.574 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.033 0.610 10.980 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.406 0.466 8.993 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.360 1.897 9.151 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.567 1.117 7.565 1.00 0.29 H new ATOM 1617 N GLY A 101 -2.967 -1.494 8.185 1.00 0.28 N ATOM 1618 CA GLY A 101 -1.917 -2.485 8.310 1.00 0.29 C ATOM 1619 C GLY A 101 -2.359 -3.820 7.775 1.00 0.25 C ATOM 1620 O GLY A 101 -3.548 -4.027 7.531 1.00 0.28 O ATOM 0 H GLY A 101 -3.807 -1.823 7.708 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.031 -2.150 7.770 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -1.633 -2.587 9.357 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.419 -4.728 7.591 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.738 -6.027 7.038 1.00 0.22 C ATOM 1626 C VAL A 102 -2.226 -6.975 8.127 1.00 0.24 C ATOM 1627 O VAL A 102 -1.966 -6.768 9.314 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.546 -6.657 6.286 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.222 -5.603 5.501 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.371 -7.426 7.221 1.00 0.25 C ATOM 0 H VAL A 102 -0.434 -4.590 7.816 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.537 -5.869 6.314 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.953 -7.376 5.575 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.056 -6.073 4.981 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.442 -5.135 4.774 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.602 -4.845 6.186 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.196 -7.853 6.651 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.765 -6.751 7.981 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.190 -8.227 7.703 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.972 -7.982 7.716 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.481 -8.964 8.646 1.00 0.29 C ATOM 1642 C GLY A 103 -4.867 -8.616 9.143 1.00 0.28 C ATOM 1643 O GLY A 103 -5.848 -9.271 8.788 1.00 0.34 O ATOM 0 H GLY A 103 -3.238 -8.139 6.744 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.505 -9.941 8.163 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.802 -9.044 9.495 1.00 0.29 H new ATOM 1647 N SER A 104 -4.947 -7.575 9.954 1.00 0.33 N ATOM 1648 CA SER A 104 -6.205 -7.133 10.527 1.00 0.32 C ATOM 1649 C SER A 104 -6.106 -5.674 10.951 1.00 0.39 C ATOM 1650 O SER A 104 -5.043 -5.057 10.831 1.00 0.59 O ATOM 1651 CB SER A 104 -6.554 -8.008 11.729 1.00 0.45 C ATOM 1652 OG SER A 104 -5.501 -8.008 12.681 1.00 1.38 O ATOM 0 H SER A 104 -4.142 -7.014 10.233 1.00 0.33 H new ATOM 0 HA SER A 104 -6.991 -7.223 9.777 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.470 -7.644 12.195 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.749 -9.028 11.397 1.00 0.45 H new ATOM 0 HG SER A 104 -5.748 -8.574 13.442 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.208 -5.124 11.431 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.215 -3.782 11.989 1.00 0.53 C ATOM 1660 C CYS A 105 -7.021 -3.845 13.497 1.00 0.48 C ATOM 1661 O CYS A 105 -7.906 -4.396 14.189 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.512 -3.053 11.659 1.00 0.82 C ATOM 1663 SG CYS A 105 -8.296 -1.626 10.549 1.00 1.01 S ATOM 1664 OXT CYS A 105 -5.990 -3.344 13.990 1.00 1.20 O ATOM 0 H CYS A 105 -8.115 -5.590 11.445 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.392 -3.225 11.542 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -9.206 -3.757 11.199 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -8.972 -2.713 12.587 1.00 0.82 H new TER 1669 CYS A 105