USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 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 72 THR OG1 : rot 180:sc= 0.389 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.00943 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0.0512 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 ASN : amide:sc= -0.249 K(o=-0.16,f=-2.6) USER MOD Set 3.2: A 90 THR OG1 : rot -88:sc= 0.0868 USER MOD Set 4.1: A 11 HIS : no HE2:sc= 1.19 K(o=2,f=-3.2!) USER MOD Set 4.2: A 35 ASN : amide:sc= 0.766 K(o=2,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.33 (180deg=1.72) USER MOD Single : A 2 GLN : amide:sc= -0.365 K(o=-0.37,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 130:sc= 1.28 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 140:sc= -0.139 USER MOD Single : A 14 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.32) USER MOD Single : A 15 THR OG1 : rot -122:sc= 0.289 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 25 SER OG : rot 112:sc= 1.26 USER MOD Single : A 26 THR OG1 : rot -73:sc= 0.643 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 30 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -2.08! (180deg=-2.49!) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= 0.0118 (180deg=-0.0311) USER MOD Single : A 36 THR OG1 : rot -34:sc= 1.25 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 0.0634 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -134:sc= -0.339! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 116:sc= -0.414 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -146:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.09) USER MOD Single : A 78 TYR OH : rot -16:sc= -0.171 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= 0.0331 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0.893 (180deg=0.753) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -2.54! C(o=-2.5!,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.26) USER MOD Single : A 94 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1.3) USER MOD Single : A 98 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-0.095) USER MOD Single : A 104 SER OG : rot 1:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.448 15.124 0.133 1.00 2.73 N ATOM 2 CA MET A 1 -4.999 14.989 0.419 1.00 1.99 C ATOM 3 C MET A 1 -4.703 13.566 0.860 1.00 1.53 C ATOM 4 O MET A 1 -4.019 12.819 0.159 1.00 2.16 O ATOM 5 CB MET A 1 -4.557 15.984 1.498 1.00 2.50 C ATOM 6 CG MET A 1 -4.579 17.439 1.050 1.00 3.10 C ATOM 7 SD MET A 1 -6.233 18.025 0.631 1.00 4.10 S ATOM 8 CE MET A 1 -5.875 19.703 0.116 1.00 4.70 C ATOM 0 H1 MET A 1 -6.692 16.131 0.047 1.00 2.73 H new ATOM 0 H2 MET A 1 -6.673 14.636 -0.757 1.00 2.73 H new ATOM 0 H3 MET A 1 -6.996 14.700 0.909 1.00 2.73 H new ATOM 0 HA MET A 1 -4.439 15.212 -0.489 1.00 1.99 H new ATOM 0 HB2 MET A 1 -5.206 15.873 2.367 1.00 2.50 H new ATOM 0 HB3 MET A 1 -3.547 15.730 1.820 1.00 2.50 H new ATOM 0 HG2 MET A 1 -4.169 18.064 1.844 1.00 3.10 H new ATOM 0 HG3 MET A 1 -3.928 17.556 0.184 1.00 3.10 H new ATOM 0 HE1 MET A 1 -6.801 20.200 -0.175 1.00 4.70 H new ATOM 0 HE2 MET A 1 -5.416 20.247 0.941 1.00 4.70 H new ATOM 0 HE3 MET A 1 -5.191 19.685 -0.732 1.00 4.70 H new ATOM 20 N GLN A 2 -5.233 13.182 2.014 1.00 0.97 N ATOM 21 CA GLN A 2 -5.166 11.797 2.451 1.00 0.74 C ATOM 22 C GLN A 2 -6.331 11.043 1.836 1.00 0.65 C ATOM 23 O GLN A 2 -7.350 10.808 2.487 1.00 0.86 O ATOM 24 CB GLN A 2 -5.215 11.667 3.979 1.00 1.18 C ATOM 25 CG GLN A 2 -3.984 12.187 4.706 1.00 1.83 C ATOM 26 CD GLN A 2 -3.897 13.700 4.732 1.00 2.42 C ATOM 27 OE1 GLN A 2 -3.294 14.316 3.855 1.00 2.91 O ATOM 28 NE2 GLN A 2 -4.506 14.311 5.737 1.00 3.09 N ATOM 0 H GLN A 2 -5.712 13.809 2.661 1.00 0.97 H new ATOM 0 HA GLN A 2 -4.214 11.379 2.124 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -6.090 12.203 4.347 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -5.354 10.617 4.235 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.990 11.813 5.730 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -3.091 11.787 4.226 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -4.996 13.764 6.445 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -4.485 15.329 5.803 1.00 3.09 H new ATOM 37 N ASP A 3 -6.192 10.710 0.568 1.00 0.48 N ATOM 38 CA ASP A 3 -7.277 10.104 -0.179 1.00 0.44 C ATOM 39 C ASP A 3 -6.743 9.122 -1.213 1.00 0.32 C ATOM 40 O ASP A 3 -5.557 8.785 -1.209 1.00 0.32 O ATOM 41 CB ASP A 3 -8.128 11.184 -0.864 1.00 0.55 C ATOM 42 CG ASP A 3 -7.362 11.975 -1.906 1.00 1.30 C ATOM 43 OD1 ASP A 3 -7.301 11.525 -3.073 1.00 1.97 O ATOM 44 OD2 ASP A 3 -6.826 13.056 -1.567 1.00 1.67 O ATOM 0 H ASP A 3 -5.336 10.849 0.032 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.905 9.556 0.523 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.990 10.713 -1.336 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.513 11.868 -0.108 1.00 0.55 H new ATOM 49 N TRP A 4 -7.632 8.702 -2.102 1.00 0.32 N ATOM 50 CA TRP A 4 -7.354 7.659 -3.082 1.00 0.27 C ATOM 51 C TRP A 4 -6.116 7.958 -3.933 1.00 0.24 C ATOM 52 O TRP A 4 -5.339 7.054 -4.238 1.00 0.25 O ATOM 53 CB TRP A 4 -8.583 7.479 -3.977 1.00 0.29 C ATOM 54 CG TRP A 4 -8.458 6.364 -4.969 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.706 6.430 -6.309 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.058 5.016 -4.698 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.490 5.204 -6.886 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.085 4.321 -5.919 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.674 4.331 -3.541 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.751 2.977 -6.013 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.342 2.994 -3.639 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.380 2.330 -4.867 1.00 0.22 C ATOM 0 H TRP A 4 -8.578 9.079 -2.165 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.139 6.739 -2.539 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.454 7.295 -3.348 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.768 8.410 -4.514 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.025 7.316 -6.837 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.611 4.985 -7.875 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.638 4.838 -2.588 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.783 2.459 -6.960 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.048 2.453 -2.752 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.111 1.285 -4.912 1.00 0.22 H new ATOM 73 N LEU A 5 -5.926 9.218 -4.311 1.00 0.28 N ATOM 74 CA LEU A 5 -4.802 9.591 -5.165 1.00 0.32 C ATOM 75 C LEU A 5 -3.465 9.324 -4.476 1.00 0.32 C ATOM 76 O LEU A 5 -2.567 8.711 -5.058 1.00 0.35 O ATOM 77 CB LEU A 5 -4.901 11.063 -5.573 1.00 0.42 C ATOM 78 CG LEU A 5 -5.883 11.375 -6.710 1.00 0.54 C ATOM 79 CD1 LEU A 5 -5.481 10.642 -7.979 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.314 11.026 -6.327 1.00 0.84 C ATOM 0 H LEU A 5 -6.531 9.994 -4.042 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.849 8.972 -6.061 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.191 11.645 -4.698 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -3.910 11.406 -5.870 1.00 0.42 H new ATOM 0 HG LEU A 5 -5.841 12.448 -6.895 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.189 10.876 -8.774 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -4.481 10.956 -8.280 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -5.484 9.568 -7.795 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -7.980 11.261 -7.157 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.380 9.962 -6.098 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.608 11.605 -5.451 1.00 0.84 H new ATOM 92 N THR A 6 -3.339 9.770 -3.236 1.00 0.34 N ATOM 93 CA THR A 6 -2.111 9.576 -2.482 1.00 0.40 C ATOM 94 C THR A 6 -1.963 8.115 -2.065 1.00 0.35 C ATOM 95 O THR A 6 -0.853 7.572 -2.038 1.00 0.37 O ATOM 96 CB THR A 6 -2.071 10.489 -1.241 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.243 11.854 -1.647 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.752 10.346 -0.495 1.00 0.61 C ATOM 0 H THR A 6 -4.072 10.268 -2.731 1.00 0.34 H new ATOM 0 HA THR A 6 -1.276 9.844 -3.130 1.00 0.40 H new ATOM 0 HB THR A 6 -2.878 10.192 -0.571 1.00 0.52 H new ATOM 0 HG1 THR A 6 -2.938 12.274 -1.098 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.753 11.002 0.375 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.628 9.313 -0.171 1.00 0.61 H new ATOM 0 HG23 THR A 6 0.071 10.621 -1.155 1.00 0.61 H new ATOM 106 N PHE A 7 -3.092 7.476 -1.767 1.00 0.29 N ATOM 107 CA PHE A 7 -3.103 6.070 -1.394 1.00 0.26 C ATOM 108 C PHE A 7 -2.521 5.228 -2.522 1.00 0.23 C ATOM 109 O PHE A 7 -1.726 4.317 -2.286 1.00 0.24 O ATOM 110 CB PHE A 7 -4.530 5.609 -1.081 1.00 0.24 C ATOM 111 CG PHE A 7 -4.602 4.228 -0.490 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.618 3.107 -1.307 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.647 4.054 0.883 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.679 1.838 -0.763 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.707 2.788 1.431 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.723 1.679 0.608 1.00 0.27 C ATOM 0 H PHE A 7 -4.013 7.915 -1.778 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.492 5.943 -0.500 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.987 6.316 -0.388 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.120 5.634 -1.997 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.582 3.227 -2.380 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.635 4.917 1.532 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.692 0.972 -1.409 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.741 2.665 2.503 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.770 0.689 1.036 1.00 0.27 H new ATOM 126 N GLN A 8 -2.916 5.556 -3.746 1.00 0.23 N ATOM 127 CA GLN A 8 -2.453 4.857 -4.931 1.00 0.24 C ATOM 128 C GLN A 8 -0.942 4.909 -5.073 1.00 0.24 C ATOM 129 O GLN A 8 -0.271 3.884 -5.016 1.00 0.25 O ATOM 130 CB GLN A 8 -3.071 5.471 -6.169 1.00 0.27 C ATOM 131 CG GLN A 8 -4.427 4.903 -6.535 1.00 0.27 C ATOM 132 CD GLN A 8 -4.976 5.517 -7.804 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.743 5.015 -8.902 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.697 6.617 -7.663 1.00 0.45 N ATOM 0 H GLN A 8 -3.568 6.316 -3.942 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.756 3.815 -4.824 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.169 6.546 -6.017 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.391 5.329 -7.009 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.346 3.823 -6.661 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.126 5.077 -5.717 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -5.866 7.000 -6.733 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.084 7.082 -8.484 1.00 0.45 H new ATOM 143 N LYS A 9 -0.416 6.111 -5.257 1.00 0.26 N ATOM 144 CA LYS A 9 1.004 6.301 -5.516 1.00 0.29 C ATOM 145 C LYS A 9 1.866 5.636 -4.448 1.00 0.29 C ATOM 146 O LYS A 9 2.967 5.164 -4.728 1.00 0.33 O ATOM 147 CB LYS A 9 1.306 7.793 -5.585 1.00 0.32 C ATOM 148 CG LYS A 9 0.533 8.496 -6.685 1.00 0.33 C ATOM 149 CD LYS A 9 0.689 9.998 -6.615 1.00 0.67 C ATOM 150 CE LYS A 9 2.101 10.429 -6.974 1.00 1.20 C ATOM 151 NZ LYS A 9 2.235 11.907 -7.025 1.00 1.88 N ATOM 0 H LYS A 9 -0.956 6.976 -5.231 1.00 0.26 H new ATOM 0 HA LYS A 9 1.246 5.829 -6.468 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.066 8.253 -4.626 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.374 7.936 -5.748 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.879 8.140 -7.656 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.523 8.237 -6.609 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.020 10.470 -7.294 1.00 0.67 H new ATOM 0 HD3 LYS A 9 0.447 10.344 -5.610 1.00 0.67 H new ATOM 0 HE2 LYS A 9 2.800 10.027 -6.241 1.00 1.20 H new ATOM 0 HE3 LYS A 9 2.374 10.007 -7.941 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 3.213 12.159 -7.273 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.586 12.290 -7.742 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 1.999 12.309 -6.095 1.00 1.88 H new ATOM 165 N LYS A 10 1.347 5.589 -3.233 1.00 0.28 N ATOM 166 CA LYS A 10 2.101 5.064 -2.102 1.00 0.30 C ATOM 167 C LYS A 10 1.891 3.570 -1.863 1.00 0.26 C ATOM 168 O LYS A 10 2.712 2.938 -1.204 1.00 0.29 O ATOM 169 CB LYS A 10 1.770 5.846 -0.829 1.00 0.38 C ATOM 170 CG LYS A 10 2.525 7.159 -0.710 1.00 0.63 C ATOM 171 CD LYS A 10 2.208 7.872 0.595 1.00 0.73 C ATOM 172 CE LYS A 10 3.202 8.990 0.862 1.00 1.10 C ATOM 173 NZ LYS A 10 2.884 9.758 2.094 1.00 1.34 N ATOM 0 H LYS A 10 0.406 5.908 -3.002 1.00 0.28 H new ATOM 0 HA LYS A 10 3.153 5.193 -2.358 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.699 6.048 -0.805 1.00 0.38 H new ATOM 0 HB3 LYS A 10 1.997 5.226 0.038 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.597 6.970 -0.771 1.00 0.63 H new ATOM 0 HG3 LYS A 10 2.267 7.805 -1.550 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.198 8.281 0.554 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.229 7.158 1.418 1.00 0.73 H new ATOM 0 HE2 LYS A 10 4.203 8.567 0.950 1.00 1.10 H new ATOM 0 HE3 LYS A 10 3.217 9.669 0.009 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.593 10.507 2.229 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 1.941 10.186 2.002 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 2.896 9.119 2.914 1.00 1.34 H new ATOM 187 N HIS A 11 0.807 2.992 -2.364 1.00 0.25 N ATOM 188 CA HIS A 11 0.515 1.597 -2.026 1.00 0.24 C ATOM 189 C HIS A 11 0.145 0.739 -3.229 1.00 0.23 C ATOM 190 O HIS A 11 0.041 -0.472 -3.100 1.00 0.26 O ATOM 191 CB HIS A 11 -0.602 1.508 -0.981 1.00 0.26 C ATOM 192 CG HIS A 11 -0.225 2.056 0.364 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.673 1.435 1.211 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.627 3.180 1.007 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.802 2.151 2.313 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.025 3.214 2.216 1.00 0.37 N ATOM 0 H HIS A 11 0.135 3.444 -2.984 1.00 0.25 H new ATOM 0 HA HIS A 11 1.444 1.199 -1.619 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.474 2.047 -1.350 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.897 0.465 -0.867 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.160 0.560 1.016 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.329 3.913 0.637 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.436 1.908 3.153 1.00 0.34 H new ATOM 205 N ILE A 12 -0.052 1.334 -4.387 1.00 0.23 N ATOM 206 CA ILE A 12 -0.442 0.561 -5.559 1.00 0.24 C ATOM 207 C ILE A 12 0.756 0.308 -6.465 1.00 0.23 C ATOM 208 O ILE A 12 1.323 1.238 -7.044 1.00 0.30 O ATOM 209 CB ILE A 12 -1.566 1.262 -6.362 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.810 1.456 -5.491 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.916 0.463 -7.610 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.401 0.165 -4.963 1.00 0.48 C ATOM 0 H ILE A 12 0.048 2.336 -4.547 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.826 -0.393 -5.198 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.201 2.242 -6.670 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.554 2.098 -4.648 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.569 1.980 -6.072 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.707 0.973 -8.159 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.034 0.374 -8.244 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.258 -0.531 -7.322 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.278 0.388 -4.356 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.691 -0.471 -5.799 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.660 -0.352 -4.353 1.00 0.48 H new ATOM 224 N THR A 13 1.147 -0.955 -6.569 1.00 0.20 N ATOM 225 CA THR A 13 2.232 -1.347 -7.449 1.00 0.21 C ATOM 226 C THR A 13 1.814 -2.569 -8.274 1.00 0.22 C ATOM 227 O THR A 13 0.994 -3.377 -7.830 1.00 0.24 O ATOM 228 CB THR A 13 3.532 -1.652 -6.666 1.00 0.21 C ATOM 229 OG1 THR A 13 4.629 -1.783 -7.578 1.00 0.30 O ATOM 230 CG2 THR A 13 3.407 -2.926 -5.844 1.00 0.21 C ATOM 0 H THR A 13 0.725 -1.726 -6.051 1.00 0.20 H new ATOM 0 HA THR A 13 2.441 -0.509 -8.113 1.00 0.21 H new ATOM 0 HB THR A 13 3.709 -0.821 -5.983 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.424 -1.354 -7.197 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.339 -3.107 -5.309 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.592 -2.818 -5.128 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.200 -3.767 -6.506 1.00 0.21 H new ATOM 238 N ASN A 14 2.354 -2.696 -9.478 1.00 0.28 N ATOM 239 CA ASN A 14 2.005 -3.815 -10.343 1.00 0.33 C ATOM 240 C ASN A 14 3.189 -4.767 -10.495 1.00 0.32 C ATOM 241 O ASN A 14 3.280 -5.528 -11.462 1.00 0.36 O ATOM 242 CB ASN A 14 1.547 -3.315 -11.714 1.00 0.46 C ATOM 243 CG ASN A 14 0.608 -4.294 -12.398 1.00 1.36 C ATOM 244 OD1 ASN A 14 0.633 -4.453 -13.617 1.00 2.20 O ATOM 245 ND2 ASN A 14 -0.249 -4.937 -11.617 1.00 2.08 N ATOM 0 H ASN A 14 3.030 -2.044 -9.876 1.00 0.28 H new ATOM 0 HA ASN A 14 1.181 -4.358 -9.880 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.046 -2.354 -11.599 1.00 0.46 H new ATOM 0 HB3 ASN A 14 2.418 -3.147 -12.347 1.00 0.46 H new ATOM 0 HD21 ASN A 14 -0.918 -5.590 -12.024 1.00 2.08 H new ATOM 0 HD22 ASN A 14 -0.239 -4.778 -10.609 1.00 2.08 H new ATOM 252 N THR A 15 4.084 -4.738 -9.523 1.00 0.33 N ATOM 253 CA THR A 15 5.227 -5.635 -9.517 1.00 0.36 C ATOM 254 C THR A 15 5.430 -6.226 -8.121 1.00 0.33 C ATOM 255 O THR A 15 5.255 -5.536 -7.116 1.00 0.36 O ATOM 256 CB THR A 15 6.514 -4.916 -9.989 1.00 0.42 C ATOM 257 OG1 THR A 15 7.638 -5.803 -9.927 1.00 0.48 O ATOM 258 CG2 THR A 15 6.794 -3.675 -9.155 1.00 0.43 C ATOM 0 H THR A 15 4.041 -4.102 -8.727 1.00 0.33 H new ATOM 0 HA THR A 15 5.021 -6.443 -10.219 1.00 0.36 H new ATOM 0 HB THR A 15 6.356 -4.608 -11.022 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.328 -5.416 -9.349 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.704 -3.194 -9.513 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.958 -2.981 -9.243 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.920 -3.960 -8.110 1.00 0.43 H new ATOM 266 N ARG A 16 5.757 -7.514 -8.060 1.00 0.32 N ATOM 267 CA ARG A 16 6.020 -8.174 -6.782 1.00 0.31 C ATOM 268 C ARG A 16 7.318 -7.661 -6.183 1.00 0.33 C ATOM 269 O ARG A 16 7.536 -7.732 -4.973 1.00 0.45 O ATOM 270 CB ARG A 16 6.094 -9.695 -6.949 1.00 0.36 C ATOM 271 CG ARG A 16 4.752 -10.349 -7.218 1.00 0.45 C ATOM 272 CD ARG A 16 3.820 -10.189 -6.030 1.00 0.38 C ATOM 273 NE ARG A 16 4.199 -11.027 -4.894 1.00 0.32 N ATOM 274 CZ ARG A 16 4.196 -10.608 -3.627 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.976 -9.328 -3.346 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.445 -11.458 -2.644 1.00 0.51 N ATOM 0 H ARG A 16 5.846 -8.120 -8.876 1.00 0.32 H new ATOM 0 HA ARG A 16 5.194 -7.941 -6.110 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.772 -9.928 -7.770 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.525 -10.129 -6.047 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.298 -9.904 -8.103 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.896 -11.408 -7.432 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.813 -9.145 -5.718 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.804 -10.438 -6.336 1.00 0.38 H new ATOM 0 HE ARG A 16 4.483 -11.989 -5.081 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.809 -8.662 -4.100 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.974 -9.012 -2.376 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.640 -12.437 -2.853 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.442 -11.134 -1.677 1.00 0.51 H new ATOM 290 N ASP A 17 8.173 -7.140 -7.043 1.00 0.37 N ATOM 291 CA ASP A 17 9.438 -6.576 -6.615 1.00 0.42 C ATOM 292 C ASP A 17 9.478 -5.098 -6.977 1.00 0.36 C ATOM 293 O ASP A 17 9.881 -4.725 -8.083 1.00 0.46 O ATOM 294 CB ASP A 17 10.606 -7.324 -7.270 1.00 0.60 C ATOM 295 CG ASP A 17 11.935 -7.062 -6.590 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.387 -5.893 -6.594 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.525 -8.004 -6.026 1.00 1.94 O ATOM 0 H ASP A 17 8.012 -7.096 -8.049 1.00 0.37 H new ATOM 0 HA ASP A 17 9.534 -6.682 -5.534 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.400 -8.394 -7.252 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.676 -7.030 -8.317 1.00 0.60 H new ATOM 302 N VAL A 18 8.988 -4.267 -6.073 1.00 0.31 N ATOM 303 CA VAL A 18 9.035 -2.829 -6.265 1.00 0.29 C ATOM 304 C VAL A 18 10.414 -2.300 -5.887 1.00 0.29 C ATOM 305 O VAL A 18 10.945 -2.639 -4.828 1.00 0.35 O ATOM 306 CB VAL A 18 7.924 -2.092 -5.463 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.820 -2.597 -4.030 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.165 -0.591 -5.472 1.00 0.58 C ATOM 0 H VAL A 18 8.553 -4.564 -5.199 1.00 0.31 H new ATOM 0 HA VAL A 18 8.849 -2.629 -7.320 1.00 0.29 H new ATOM 0 HB VAL A 18 6.976 -2.306 -5.957 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.032 -2.054 -3.509 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.585 -3.661 -4.035 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.769 -2.438 -3.518 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.378 -0.093 -4.906 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.132 -0.375 -5.017 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.159 -0.228 -6.500 1.00 0.58 H new ATOM 318 N ASP A 19 11.014 -1.506 -6.772 1.00 0.34 N ATOM 319 CA ASP A 19 12.333 -0.953 -6.504 1.00 0.41 C ATOM 320 C ASP A 19 12.237 0.155 -5.472 1.00 0.39 C ATOM 321 O ASP A 19 12.080 1.333 -5.800 1.00 0.46 O ATOM 322 CB ASP A 19 13.013 -0.441 -7.775 1.00 0.58 C ATOM 323 CG ASP A 19 14.441 0.014 -7.516 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.351 -0.847 -7.494 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.664 1.228 -7.326 1.00 1.91 O ATOM 0 H ASP A 19 10.611 -1.236 -7.669 1.00 0.34 H new ATOM 0 HA ASP A 19 12.951 -1.759 -6.110 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.015 -1.230 -8.527 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.437 0.389 -8.185 1.00 0.58 H new ATOM 330 N CYS A 20 12.269 -0.260 -4.220 1.00 0.38 N ATOM 331 CA CYS A 20 12.217 0.642 -3.091 1.00 0.40 C ATOM 332 C CYS A 20 13.264 1.741 -3.212 1.00 0.38 C ATOM 333 O CYS A 20 12.983 2.904 -2.948 1.00 0.39 O ATOM 334 CB CYS A 20 12.455 -0.143 -1.811 1.00 0.51 C ATOM 335 SG CYS A 20 11.649 -1.776 -1.782 1.00 0.93 S ATOM 0 H CYS A 20 12.333 -1.244 -3.958 1.00 0.38 H new ATOM 0 HA CYS A 20 11.233 1.110 -3.071 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.528 -0.276 -1.673 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.095 0.443 -0.965 1.00 0.51 H new ATOM 340 N ASP A 21 14.467 1.342 -3.610 1.00 0.47 N ATOM 341 CA ASP A 21 15.603 2.257 -3.743 1.00 0.59 C ATOM 342 C ASP A 21 15.218 3.570 -4.425 1.00 0.53 C ATOM 343 O ASP A 21 15.274 4.632 -3.807 1.00 0.64 O ATOM 344 CB ASP A 21 16.732 1.586 -4.524 1.00 0.85 C ATOM 345 CG ASP A 21 17.871 2.540 -4.820 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.619 2.892 -3.881 1.00 1.66 O ATOM 347 OD2 ASP A 21 18.018 2.956 -5.985 1.00 2.26 O ATOM 0 H ASP A 21 14.686 0.375 -3.850 1.00 0.47 H new ATOM 0 HA ASP A 21 15.939 2.496 -2.734 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.110 0.737 -3.955 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.338 1.191 -5.461 1.00 0.85 H new ATOM 352 N ASN A 22 14.811 3.496 -5.682 1.00 0.50 N ATOM 353 CA ASN A 22 14.502 4.698 -6.449 1.00 0.49 C ATOM 354 C ASN A 22 13.166 5.288 -6.036 1.00 0.42 C ATOM 355 O ASN A 22 13.067 6.475 -5.720 1.00 0.43 O ATOM 356 CB ASN A 22 14.468 4.382 -7.941 1.00 0.59 C ATOM 357 CG ASN A 22 14.254 5.616 -8.799 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.639 6.726 -8.426 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.635 5.435 -9.955 1.00 1.14 N ATOM 0 H ASN A 22 14.686 2.622 -6.193 1.00 0.50 H new ATOM 0 HA ASN A 22 15.286 5.427 -6.244 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.404 3.904 -8.228 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.671 3.665 -8.138 1.00 0.59 H new ATOM 0 HD21 ASN A 22 13.462 6.230 -10.571 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.331 4.501 -10.230 1.00 1.14 H new ATOM 366 N ILE A 23 12.147 4.447 -6.031 1.00 0.40 N ATOM 367 CA ILE A 23 10.780 4.894 -5.797 1.00 0.38 C ATOM 368 C ILE A 23 10.625 5.597 -4.447 1.00 0.33 C ATOM 369 O ILE A 23 9.929 6.605 -4.350 1.00 0.34 O ATOM 370 CB ILE A 23 9.778 3.721 -5.910 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.794 3.169 -7.341 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.372 4.168 -5.520 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.828 2.030 -7.575 1.00 0.48 C ATOM 0 H ILE A 23 12.239 3.443 -6.187 1.00 0.40 H new ATOM 0 HA ILE A 23 10.553 5.621 -6.576 1.00 0.38 H new ATOM 0 HB ILE A 23 10.078 2.932 -5.220 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.560 3.978 -8.033 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.803 2.830 -7.577 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.685 3.326 -5.607 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.377 4.527 -4.491 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.048 4.971 -6.183 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.901 1.698 -8.610 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.074 1.202 -6.910 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.811 2.368 -7.374 1.00 0.48 H new ATOM 385 N LEU A 24 11.300 5.103 -3.419 1.00 0.30 N ATOM 386 CA LEU A 24 11.151 5.680 -2.087 1.00 0.29 C ATOM 387 C LEU A 24 12.034 6.911 -1.911 1.00 0.32 C ATOM 388 O LEU A 24 11.879 7.656 -0.940 1.00 0.33 O ATOM 389 CB LEU A 24 11.470 4.654 -1.000 1.00 0.31 C ATOM 390 CG LEU A 24 10.712 3.325 -1.098 1.00 0.38 C ATOM 391 CD1 LEU A 24 11.030 2.443 0.090 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.217 3.549 -1.188 1.00 1.01 C ATOM 0 H LEU A 24 11.947 4.316 -3.477 1.00 0.30 H new ATOM 0 HA LEU A 24 10.109 5.984 -1.986 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.539 4.444 -1.027 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.257 5.102 -0.029 1.00 0.31 H new ATOM 0 HG LEU A 24 11.039 2.826 -2.010 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.483 1.504 0.003 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.100 2.238 0.115 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.736 2.950 1.009 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.708 2.587 -1.256 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.874 4.078 -0.299 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.991 4.143 -2.074 1.00 1.01 H new ATOM 404 N SER A 25 12.946 7.129 -2.852 1.00 0.36 N ATOM 405 CA SER A 25 13.825 8.291 -2.808 1.00 0.41 C ATOM 406 C SER A 25 13.106 9.533 -3.331 1.00 0.42 C ATOM 407 O SER A 25 13.624 10.646 -3.248 1.00 0.49 O ATOM 408 CB SER A 25 15.090 8.047 -3.633 1.00 0.50 C ATOM 409 OG SER A 25 15.908 7.047 -3.049 1.00 1.28 O ATOM 0 H SER A 25 13.096 6.517 -3.654 1.00 0.36 H new ATOM 0 HA SER A 25 14.107 8.455 -1.768 1.00 0.41 H new ATOM 0 HB2 SER A 25 14.814 7.748 -4.644 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.654 8.976 -3.719 1.00 0.50 H new ATOM 0 HG SER A 25 15.917 6.254 -3.625 1.00 1.28 H new ATOM 415 N THR A 26 11.913 9.334 -3.873 1.00 0.41 N ATOM 416 CA THR A 26 11.142 10.425 -4.440 1.00 0.46 C ATOM 417 C THR A 26 10.577 11.324 -3.347 1.00 0.45 C ATOM 418 O THR A 26 10.553 10.959 -2.166 1.00 0.45 O ATOM 419 CB THR A 26 9.974 9.899 -5.299 1.00 0.49 C ATOM 420 OG1 THR A 26 9.100 9.091 -4.499 1.00 0.44 O ATOM 421 CG2 THR A 26 10.489 9.086 -6.476 1.00 0.56 C ATOM 0 H THR A 26 11.459 8.423 -3.931 1.00 0.41 H new ATOM 0 HA THR A 26 11.823 10.999 -5.069 1.00 0.46 H new ATOM 0 HB THR A 26 9.423 10.757 -5.685 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.532 8.232 -4.308 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.646 8.726 -7.066 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.127 9.712 -7.099 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.063 8.236 -6.108 1.00 0.56 H new ATOM 429 N ASN A 27 10.089 12.485 -3.754 1.00 0.49 N ATOM 430 CA ASN A 27 9.448 13.423 -2.864 1.00 0.52 C ATOM 431 C ASN A 27 8.028 12.961 -2.531 1.00 0.52 C ATOM 432 O ASN A 27 7.160 13.755 -2.172 1.00 0.67 O ATOM 433 CB ASN A 27 9.416 14.779 -3.550 1.00 0.61 C ATOM 434 CG ASN A 27 10.801 15.364 -3.762 1.00 0.87 C ATOM 435 OD1 ASN A 27 11.722 15.135 -2.970 1.00 1.46 O ATOM 436 ND2 ASN A 27 10.960 16.121 -4.837 1.00 1.53 N ATOM 0 H ASN A 27 10.130 12.800 -4.723 1.00 0.49 H new ATOM 0 HA ASN A 27 10.004 13.489 -1.929 1.00 0.52 H new ATOM 0 HB2 ASN A 27 8.916 14.682 -4.514 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.822 15.470 -2.951 1.00 0.61 H new ATOM 0 HD21 ASN A 27 11.869 16.540 -5.036 1.00 1.53 H new ATOM 0 HD22 ASN A 27 10.174 16.285 -5.466 1.00 1.53 H new ATOM 443 N LEU A 28 7.833 11.661 -2.630 1.00 0.48 N ATOM 444 CA LEU A 28 6.556 11.022 -2.384 1.00 0.47 C ATOM 445 C LEU A 28 6.662 10.167 -1.129 1.00 0.45 C ATOM 446 O LEU A 28 5.665 9.799 -0.519 1.00 0.52 O ATOM 447 CB LEU A 28 6.187 10.151 -3.587 1.00 0.47 C ATOM 448 CG LEU A 28 4.827 9.459 -3.515 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.713 10.486 -3.540 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.676 8.474 -4.661 1.00 0.51 C ATOM 0 H LEU A 28 8.572 11.007 -2.889 1.00 0.48 H new ATOM 0 HA LEU A 28 5.781 11.775 -2.241 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.210 10.772 -4.482 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.956 9.388 -3.709 1.00 0.47 H new ATOM 0 HG LEU A 28 4.763 8.907 -2.578 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.749 9.979 -3.488 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.817 11.156 -2.687 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.770 11.063 -4.463 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.702 7.988 -4.597 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.755 9.005 -5.610 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.462 7.721 -4.600 1.00 0.51 H new ATOM 462 N PHE A 29 7.897 9.876 -0.744 1.00 0.42 N ATOM 463 CA PHE A 29 8.170 9.040 0.414 1.00 0.40 C ATOM 464 C PHE A 29 9.247 9.701 1.243 1.00 0.42 C ATOM 465 O PHE A 29 9.234 9.635 2.472 1.00 0.48 O ATOM 466 CB PHE A 29 8.634 7.643 -0.012 1.00 0.36 C ATOM 467 CG PHE A 29 7.617 6.873 -0.801 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.577 6.215 -0.164 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.701 6.807 -2.179 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.641 5.505 -0.888 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.769 6.098 -2.909 1.00 0.39 C ATOM 472 CZ PHE A 29 5.732 5.448 -2.259 1.00 0.42 C ATOM 0 H PHE A 29 8.733 10.211 -1.223 1.00 0.42 H new ATOM 0 HA PHE A 29 7.255 8.929 0.995 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.542 7.739 -0.607 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.895 7.072 0.879 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.498 6.258 0.912 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.505 7.316 -2.690 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.837 4.994 -0.378 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.848 6.050 -3.985 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.997 4.898 -2.828 1.00 0.42 H new ATOM 482 N HIS A 30 10.182 10.333 0.535 1.00 0.43 N ATOM 483 CA HIS A 30 11.263 11.088 1.147 1.00 0.52 C ATOM 484 C HIS A 30 12.136 10.177 2.007 1.00 0.45 C ATOM 485 O HIS A 30 12.669 10.600 3.031 1.00 0.48 O ATOM 486 CB HIS A 30 10.722 12.241 1.995 1.00 0.70 C ATOM 487 CG HIS A 30 9.858 13.226 1.274 1.00 1.23 C ATOM 488 ND1 HIS A 30 8.514 13.392 1.534 1.00 1.78 N ATOM 489 CD2 HIS A 30 10.175 14.152 0.345 1.00 2.07 C ATOM 490 CE1 HIS A 30 8.046 14.379 0.795 1.00 2.74 C ATOM 491 NE2 HIS A 30 9.036 14.860 0.063 1.00 2.97 N ATOM 0 H HIS A 30 10.207 10.333 -0.485 1.00 0.43 H new ATOM 0 HA HIS A 30 11.869 11.506 0.343 1.00 0.52 H new ATOM 0 HB2 HIS A 30 10.150 11.822 2.823 1.00 0.70 H new ATOM 0 HB3 HIS A 30 11.567 12.776 2.429 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.149 14.307 -0.096 1.00 2.07 H new ATOM 0 HE1 HIS A 30 7.026 14.734 0.789 1.00 2.74 H new ATOM 0 HE2 HIS A 30 8.964 15.630 -0.602 1.00 2.97 H new ATOM 500 N CYS A 31 12.287 8.933 1.558 1.00 0.44 N ATOM 501 CA CYS A 31 13.050 7.919 2.281 1.00 0.45 C ATOM 502 C CYS A 31 12.506 7.707 3.696 1.00 0.40 C ATOM 503 O CYS A 31 13.187 7.977 4.685 1.00 0.47 O ATOM 504 CB CYS A 31 14.542 8.275 2.328 1.00 0.62 C ATOM 505 SG CYS A 31 15.284 8.590 0.691 1.00 1.10 S ATOM 0 H CYS A 31 11.884 8.600 0.682 1.00 0.44 H new ATOM 0 HA CYS A 31 12.938 6.983 1.734 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.674 9.159 2.951 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.084 7.461 2.810 1.00 0.62 H new ATOM 510 N LYS A 32 11.260 7.240 3.785 1.00 0.39 N ATOM 511 CA LYS A 32 10.663 6.877 5.069 1.00 0.43 C ATOM 512 C LYS A 32 11.275 5.578 5.581 1.00 0.45 C ATOM 513 O LYS A 32 12.002 4.907 4.850 1.00 0.55 O ATOM 514 CB LYS A 32 9.132 6.741 4.944 1.00 0.50 C ATOM 515 CG LYS A 32 8.622 5.393 4.425 1.00 0.53 C ATOM 516 CD LYS A 32 8.703 5.257 2.913 1.00 0.90 C ATOM 517 CE LYS A 32 10.049 4.724 2.462 1.00 2.05 C ATOM 518 NZ LYS A 32 10.411 3.456 3.157 1.00 2.72 N ATOM 0 H LYS A 32 10.645 7.105 2.982 1.00 0.39 H new ATOM 0 HA LYS A 32 10.873 7.672 5.785 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.689 6.923 5.923 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.770 7.525 4.279 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.201 4.592 4.886 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.587 5.259 4.739 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.914 4.590 2.566 1.00 0.90 H new ATOM 0 HD3 LYS A 32 8.525 6.228 2.452 1.00 0.90 H new ATOM 0 HE2 LYS A 32 10.029 4.554 1.386 1.00 2.05 H new ATOM 0 HE3 LYS A 32 10.817 5.473 2.652 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 11.099 2.929 2.582 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 10.830 3.675 4.083 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.557 2.878 3.292 1.00 2.72 H new ATOM 532 N ASP A 33 10.974 5.215 6.818 1.00 0.49 N ATOM 533 CA ASP A 33 11.509 3.985 7.399 1.00 0.54 C ATOM 534 C ASP A 33 11.076 2.779 6.572 1.00 0.48 C ATOM 535 O ASP A 33 11.911 2.051 6.033 1.00 0.51 O ATOM 536 CB ASP A 33 11.041 3.827 8.849 1.00 0.66 C ATOM 537 CG ASP A 33 11.625 2.600 9.523 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.728 2.698 10.097 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.989 1.527 9.468 1.00 2.06 O ATOM 0 H ASP A 33 10.366 5.748 7.439 1.00 0.49 H new ATOM 0 HA ASP A 33 12.597 4.045 7.391 1.00 0.54 H new ATOM 0 HB2 ASP A 33 11.321 4.715 9.415 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.953 3.765 8.870 1.00 0.66 H new ATOM 544 N LYS A 34 9.773 2.588 6.436 1.00 0.44 N ATOM 545 CA LYS A 34 9.264 1.474 5.649 1.00 0.41 C ATOM 546 C LYS A 34 7.912 1.789 5.023 1.00 0.38 C ATOM 547 O LYS A 34 7.238 2.738 5.414 1.00 0.43 O ATOM 548 CB LYS A 34 9.166 0.229 6.519 1.00 0.48 C ATOM 549 CG LYS A 34 8.256 0.401 7.717 1.00 0.95 C ATOM 550 CD LYS A 34 8.594 -0.598 8.800 1.00 1.27 C ATOM 551 CE LYS A 34 8.420 -2.035 8.326 1.00 1.96 C ATOM 552 NZ LYS A 34 6.994 -2.369 8.074 1.00 2.60 N ATOM 0 H LYS A 34 9.056 3.181 6.854 1.00 0.44 H new ATOM 0 HA LYS A 34 9.965 1.295 4.834 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.803 -0.601 5.913 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.163 -0.042 6.866 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.351 1.414 8.109 1.00 0.95 H new ATOM 0 HG3 LYS A 34 7.218 0.274 7.411 1.00 0.95 H new ATOM 0 HD2 LYS A 34 9.623 -0.446 9.125 1.00 1.27 H new ATOM 0 HD3 LYS A 34 7.957 -0.423 9.667 1.00 1.27 H new ATOM 0 HE2 LYS A 34 8.995 -2.188 7.413 1.00 1.96 H new ATOM 0 HE3 LYS A 34 8.825 -2.715 9.075 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 6.727 -3.200 8.640 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 6.396 -1.561 8.341 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.860 -2.580 7.064 1.00 2.60 H new ATOM 566 N ASN A 35 7.539 0.991 4.029 1.00 0.37 N ATOM 567 CA ASN A 35 6.259 1.139 3.346 1.00 0.36 C ATOM 568 C ASN A 35 5.846 -0.188 2.721 1.00 0.34 C ATOM 569 O ASN A 35 6.666 -0.860 2.095 1.00 0.38 O ATOM 570 CB ASN A 35 6.336 2.195 2.242 1.00 0.36 C ATOM 571 CG ASN A 35 4.986 2.426 1.582 1.00 0.38 C ATOM 572 OD1 ASN A 35 3.942 2.333 2.226 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.996 2.711 0.292 1.00 0.35 N ATOM 0 H ASN A 35 8.113 0.226 3.675 1.00 0.37 H new ATOM 0 HA ASN A 35 5.525 1.454 4.087 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.700 3.133 2.662 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.059 1.881 1.489 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.117 2.862 -0.204 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.882 2.780 -0.208 1.00 0.35 H new ATOM 580 N THR A 36 4.585 -0.552 2.877 1.00 0.32 N ATOM 581 CA THR A 36 4.072 -1.789 2.312 1.00 0.30 C ATOM 582 C THR A 36 3.271 -1.507 1.038 1.00 0.26 C ATOM 583 O THR A 36 2.249 -0.813 1.075 1.00 0.28 O ATOM 584 CB THR A 36 3.179 -2.525 3.329 1.00 0.36 C ATOM 585 OG1 THR A 36 3.828 -2.564 4.610 1.00 0.45 O ATOM 586 CG2 THR A 36 2.882 -3.944 2.865 1.00 0.37 C ATOM 0 H THR A 36 3.895 -0.006 3.392 1.00 0.32 H new ATOM 0 HA THR A 36 4.924 -2.423 2.066 1.00 0.30 H new ATOM 0 HB THR A 36 2.237 -1.983 3.411 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.797 -2.636 4.484 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.250 -4.442 3.600 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.367 -3.913 1.905 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.816 -4.495 2.757 1.00 0.37 H new ATOM 594 N PHE A 37 3.748 -2.025 -0.085 1.00 0.21 N ATOM 595 CA PHE A 37 3.057 -1.859 -1.356 1.00 0.18 C ATOM 596 C PHE A 37 2.144 -3.047 -1.620 1.00 0.18 C ATOM 597 O PHE A 37 2.386 -4.156 -1.139 1.00 0.21 O ATOM 598 CB PHE A 37 4.049 -1.716 -2.512 1.00 0.17 C ATOM 599 CG PHE A 37 4.925 -0.498 -2.440 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.017 -0.458 -1.583 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.643 0.616 -3.212 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.805 0.670 -1.501 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.431 1.744 -3.137 1.00 0.20 C ATOM 604 CZ PHE A 37 6.569 1.733 -2.332 1.00 0.20 C ATOM 0 H PHE A 37 4.612 -2.564 -0.142 1.00 0.21 H new ATOM 0 HA PHE A 37 2.462 -0.948 -1.292 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.683 -2.602 -2.540 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.493 -1.692 -3.449 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.251 -1.319 -0.975 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.795 0.601 -3.881 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.609 0.716 -0.781 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.169 2.629 -3.697 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.263 2.560 -2.363 1.00 0.20 H new ATOM 614 N ILE A 38 1.102 -2.797 -2.387 1.00 0.18 N ATOM 615 CA ILE A 38 0.123 -3.810 -2.730 1.00 0.17 C ATOM 616 C ILE A 38 0.236 -4.160 -4.207 1.00 0.17 C ATOM 617 O ILE A 38 0.053 -3.304 -5.075 1.00 0.18 O ATOM 618 CB ILE A 38 -1.308 -3.308 -2.436 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.406 -2.814 -0.989 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.328 -4.411 -2.701 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.654 -2.007 -0.707 1.00 0.22 C ATOM 0 H ILE A 38 0.909 -1.881 -2.792 1.00 0.18 H new ATOM 0 HA ILE A 38 0.320 -4.695 -2.124 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.531 -2.475 -3.103 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.380 -3.673 -0.318 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.531 -2.205 -0.762 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.330 -4.039 -2.488 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.269 -4.718 -3.745 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.115 -5.266 -2.059 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.655 -1.691 0.336 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.673 -1.129 -1.352 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.535 -2.619 -0.902 1.00 0.22 H new ATOM 633 N TYR A 39 0.560 -5.412 -4.483 1.00 0.16 N ATOM 634 CA TYR A 39 0.647 -5.908 -5.843 1.00 0.17 C ATOM 635 C TYR A 39 -0.746 -6.188 -6.380 1.00 0.18 C ATOM 636 O TYR A 39 -1.288 -7.281 -6.204 1.00 0.18 O ATOM 637 CB TYR A 39 1.504 -7.177 -5.893 1.00 0.20 C ATOM 638 CG TYR A 39 1.561 -7.839 -7.252 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.265 -7.256 -8.296 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.910 -9.034 -7.491 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.318 -7.844 -9.540 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.959 -9.633 -8.733 1.00 0.34 C ATOM 643 CZ TYR A 39 1.670 -9.069 -9.737 1.00 0.35 C ATOM 644 OH TYR A 39 1.702 -9.635 -10.992 1.00 0.40 O ATOM 0 H TYR A 39 0.770 -6.111 -3.771 1.00 0.16 H new ATOM 0 HA TYR A 39 1.120 -5.149 -6.467 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.518 -6.928 -5.581 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.114 -7.893 -5.170 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.782 -6.322 -8.130 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.355 -9.506 -6.694 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.851 -7.368 -10.350 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.427 -10.557 -8.905 1.00 0.34 H new ATOM 0 HH TYR A 39 1.212 -10.484 -10.981 1.00 0.40 H new ATOM 654 N SER A 40 -1.327 -5.179 -6.996 1.00 0.23 N ATOM 655 CA SER A 40 -2.649 -5.275 -7.574 1.00 0.26 C ATOM 656 C SER A 40 -2.974 -3.941 -8.221 1.00 0.29 C ATOM 657 O SER A 40 -2.295 -2.945 -7.962 1.00 0.50 O ATOM 658 CB SER A 40 -3.694 -5.620 -6.497 1.00 0.25 C ATOM 659 OG SER A 40 -4.892 -6.108 -7.079 1.00 0.93 O ATOM 0 H SER A 40 -0.891 -4.264 -7.110 1.00 0.23 H new ATOM 0 HA SER A 40 -2.673 -6.072 -8.317 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.286 -6.369 -5.818 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.911 -4.734 -5.901 1.00 0.25 H new ATOM 0 HG SER A 40 -5.536 -6.320 -6.372 1.00 0.93 H new ATOM 665 N ARG A 41 -3.982 -3.910 -9.072 1.00 0.25 N ATOM 666 CA ARG A 41 -4.391 -2.658 -9.677 1.00 0.27 C ATOM 667 C ARG A 41 -5.241 -1.855 -8.703 1.00 0.22 C ATOM 668 O ARG A 41 -5.833 -2.406 -7.779 1.00 0.23 O ATOM 669 CB ARG A 41 -5.145 -2.897 -10.990 1.00 0.33 C ATOM 670 CG ARG A 41 -4.226 -3.213 -12.155 1.00 0.54 C ATOM 671 CD ARG A 41 -3.334 -2.024 -12.472 1.00 1.08 C ATOM 672 NE ARG A 41 -2.312 -2.333 -13.468 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.377 -1.471 -13.862 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.379 -0.223 -13.409 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.443 -1.852 -14.719 1.00 2.66 N ATOM 0 H ARG A 41 -4.526 -4.725 -9.357 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.495 -2.084 -9.911 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.846 -3.720 -10.855 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.735 -2.012 -11.230 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.612 -4.081 -11.915 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.818 -3.474 -13.032 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.949 -1.200 -12.833 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.851 -1.684 -11.556 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.315 -3.263 -13.886 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.100 0.081 -12.755 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -0.659 0.432 -13.715 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.439 -2.807 -15.078 1.00 2.66 H new ATOM 0 HH22 ARG A 41 0.273 -1.191 -15.020 1.00 2.66 H new ATOM 689 N PRO A 42 -5.306 -0.538 -8.905 1.00 0.22 N ATOM 690 CA PRO A 42 -6.065 0.363 -8.039 1.00 0.21 C ATOM 691 C PRO A 42 -7.549 0.021 -8.005 1.00 0.20 C ATOM 692 O PRO A 42 -8.208 0.190 -6.985 1.00 0.23 O ATOM 693 CB PRO A 42 -5.841 1.745 -8.672 1.00 0.24 C ATOM 694 CG PRO A 42 -5.389 1.472 -10.062 1.00 0.25 C ATOM 695 CD PRO A 42 -4.641 0.178 -9.998 1.00 0.30 C ATOM 0 HA PRO A 42 -5.738 0.301 -7.001 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.758 2.334 -8.665 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.093 2.314 -8.120 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.237 1.400 -10.743 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.751 2.275 -10.431 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.705 -0.371 -10.937 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.582 0.334 -9.792 1.00 0.30 H new ATOM 703 N GLU A 43 -8.064 -0.508 -9.104 1.00 0.21 N ATOM 704 CA GLU A 43 -9.489 -0.762 -9.215 1.00 0.25 C ATOM 705 C GLU A 43 -9.940 -1.929 -8.324 1.00 0.23 C ATOM 706 O GLU A 43 -10.868 -1.769 -7.533 1.00 0.24 O ATOM 707 CB GLU A 43 -9.870 -0.996 -10.672 1.00 0.36 C ATOM 708 CG GLU A 43 -9.827 0.270 -11.513 1.00 0.48 C ATOM 709 CD GLU A 43 -10.593 1.418 -10.878 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.841 1.355 -10.832 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.948 2.393 -10.436 1.00 2.36 O ATOM 0 H GLU A 43 -7.519 -0.768 -9.926 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.014 0.123 -8.856 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.194 -1.734 -11.104 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.874 -1.419 -10.715 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.789 0.568 -11.661 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.243 0.062 -12.499 1.00 0.48 H new ATOM 718 N PRO A 44 -9.303 -3.116 -8.430 1.00 0.24 N ATOM 719 CA PRO A 44 -9.617 -4.262 -7.567 1.00 0.26 C ATOM 720 C PRO A 44 -9.342 -3.986 -6.088 1.00 0.24 C ATOM 721 O PRO A 44 -9.863 -4.679 -5.212 1.00 0.27 O ATOM 722 CB PRO A 44 -8.701 -5.379 -8.082 1.00 0.30 C ATOM 723 CG PRO A 44 -7.634 -4.688 -8.852 1.00 0.36 C ATOM 724 CD PRO A 44 -8.272 -3.455 -9.420 1.00 0.27 C ATOM 0 HA PRO A 44 -10.677 -4.511 -7.614 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.281 -5.955 -7.257 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.250 -6.079 -8.712 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.792 -4.432 -8.209 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.247 -5.328 -9.645 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.549 -2.648 -9.540 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.705 -3.643 -10.402 1.00 0.27 H new ATOM 732 N VAL A 45 -8.530 -2.969 -5.812 1.00 0.20 N ATOM 733 CA VAL A 45 -8.250 -2.576 -4.433 1.00 0.19 C ATOM 734 C VAL A 45 -9.289 -1.564 -3.960 1.00 0.17 C ATOM 735 O VAL A 45 -9.727 -1.589 -2.811 1.00 0.18 O ATOM 736 CB VAL A 45 -6.828 -1.984 -4.278 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.589 -1.499 -2.853 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.776 -3.013 -4.667 1.00 0.23 C ATOM 0 H VAL A 45 -8.057 -2.405 -6.519 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.303 -3.473 -3.816 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.746 -1.128 -4.948 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.583 -1.088 -2.772 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.317 -0.727 -2.605 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.696 -2.335 -2.161 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.783 -2.579 -4.552 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.867 -3.888 -4.023 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -5.924 -3.310 -5.705 1.00 0.23 H new ATOM 748 N LYS A 46 -9.704 -0.690 -4.864 1.00 0.15 N ATOM 749 CA LYS A 46 -10.750 0.279 -4.570 1.00 0.15 C ATOM 750 C LYS A 46 -12.082 -0.439 -4.380 1.00 0.17 C ATOM 751 O LYS A 46 -12.963 0.038 -3.663 1.00 0.20 O ATOM 752 CB LYS A 46 -10.856 1.293 -5.709 1.00 0.17 C ATOM 753 CG LYS A 46 -11.658 2.536 -5.364 1.00 0.20 C ATOM 754 CD LYS A 46 -11.687 3.499 -6.534 1.00 0.27 C ATOM 755 CE LYS A 46 -12.142 4.883 -6.116 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.076 5.844 -7.247 1.00 1.36 N ATOM 0 H LYS A 46 -9.331 -0.631 -5.812 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.499 0.808 -3.650 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.852 1.594 -6.007 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.313 0.807 -6.571 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.676 2.254 -5.094 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.221 3.026 -4.494 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.693 3.562 -6.977 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.355 3.114 -7.304 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.164 4.833 -5.739 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.518 5.240 -5.297 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -12.787 6.590 -7.110 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.129 6.272 -7.284 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -12.266 5.344 -8.139 1.00 1.36 H new ATOM 770 N ALA A 47 -12.205 -1.602 -5.015 1.00 0.18 N ATOM 771 CA ALA A 47 -13.406 -2.423 -4.919 1.00 0.22 C ATOM 772 C ALA A 47 -13.652 -2.887 -3.485 1.00 0.22 C ATOM 773 O ALA A 47 -14.781 -3.209 -3.114 1.00 0.27 O ATOM 774 CB ALA A 47 -13.302 -3.618 -5.856 1.00 0.26 C ATOM 0 H ALA A 47 -11.477 -2.000 -5.608 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.257 -1.811 -5.219 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.205 -4.223 -5.775 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.191 -3.267 -6.882 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.436 -4.220 -5.583 1.00 0.26 H new ATOM 780 N ILE A 48 -12.596 -2.909 -2.680 1.00 0.20 N ATOM 781 CA ILE A 48 -12.717 -3.266 -1.272 1.00 0.21 C ATOM 782 C ILE A 48 -13.564 -2.227 -0.544 1.00 0.21 C ATOM 783 O ILE A 48 -14.385 -2.557 0.313 1.00 0.23 O ATOM 784 CB ILE A 48 -11.335 -3.369 -0.591 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.434 -4.322 -1.378 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.487 -3.851 0.846 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.998 -4.328 -0.905 1.00 0.21 C ATOM 0 H ILE A 48 -11.647 -2.684 -2.978 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.198 -4.243 -1.218 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.876 -2.381 -0.577 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.836 -5.332 -1.304 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.459 -4.045 -2.432 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.504 -3.919 1.313 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.106 -3.147 1.402 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.960 -4.833 0.852 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.419 -5.027 -1.509 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.578 -3.327 -1.005 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.961 -4.635 0.140 1.00 0.21 H new ATOM 799 N CYS A 49 -13.394 -0.970 -0.932 1.00 0.20 N ATOM 800 CA CYS A 49 -14.093 0.126 -0.292 1.00 0.21 C ATOM 801 C CYS A 49 -15.313 0.542 -1.101 1.00 0.25 C ATOM 802 O CYS A 49 -16.046 1.452 -0.712 1.00 0.25 O ATOM 803 CB CYS A 49 -13.138 1.303 -0.130 1.00 0.19 C ATOM 804 SG CYS A 49 -11.703 0.921 0.918 1.00 0.18 S ATOM 0 H CYS A 49 -12.774 -0.688 -1.691 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.440 -0.201 0.688 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.788 1.617 -1.113 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.680 2.146 0.300 1.00 0.19 H new ATOM 809 N LYS A 50 -15.524 -0.124 -2.227 1.00 0.32 N ATOM 810 CA LYS A 50 -16.654 0.174 -3.089 1.00 0.40 C ATOM 811 C LYS A 50 -17.962 -0.094 -2.351 1.00 0.39 C ATOM 812 O LYS A 50 -18.307 -1.243 -2.068 1.00 0.47 O ATOM 813 CB LYS A 50 -16.574 -0.635 -4.387 1.00 0.54 C ATOM 814 CG LYS A 50 -17.609 -0.225 -5.421 1.00 0.68 C ATOM 815 CD LYS A 50 -17.273 -0.768 -6.804 1.00 0.92 C ATOM 816 CE LYS A 50 -15.933 -0.237 -7.295 1.00 1.58 C ATOM 817 NZ LYS A 50 -15.694 -0.551 -8.728 1.00 2.33 N ATOM 0 H LYS A 50 -14.924 -0.877 -2.564 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.623 1.230 -3.356 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -15.578 -0.521 -4.816 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -16.702 -1.692 -4.155 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -18.591 -0.588 -5.117 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -17.670 0.862 -5.463 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -17.246 -1.857 -6.773 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -18.057 -0.489 -7.507 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -15.898 0.843 -7.151 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -15.132 -0.665 -6.693 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -14.771 -0.170 -9.017 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -15.701 -1.582 -8.863 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -16.443 -0.121 -9.307 1.00 2.33 H new ATOM 831 N GLY A 51 -18.665 0.977 -2.022 1.00 0.36 N ATOM 832 CA GLY A 51 -19.898 0.860 -1.276 1.00 0.38 C ATOM 833 C GLY A 51 -19.762 1.396 0.136 1.00 0.37 C ATOM 834 O GLY A 51 -20.737 1.459 0.882 1.00 0.44 O ATOM 0 H GLY A 51 -18.401 1.933 -2.261 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.688 1.402 -1.795 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.201 -0.186 -1.239 1.00 0.38 H new ATOM 838 N ILE A 52 -18.545 1.782 0.506 1.00 0.31 N ATOM 839 CA ILE A 52 -18.288 2.318 1.836 1.00 0.29 C ATOM 840 C ILE A 52 -18.083 3.828 1.764 1.00 0.29 C ATOM 841 O ILE A 52 -16.976 4.299 1.504 1.00 0.27 O ATOM 842 CB ILE A 52 -17.035 1.686 2.478 1.00 0.26 C ATOM 843 CG1 ILE A 52 -16.986 0.175 2.227 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.004 1.980 3.971 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.185 -0.582 2.749 1.00 0.33 C ATOM 0 H ILE A 52 -17.723 1.733 -0.096 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.156 2.078 2.450 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.155 2.130 2.013 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -16.899 -0.001 1.155 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.086 -0.229 2.690 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.115 1.529 4.412 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.980 3.058 4.129 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.894 1.564 4.442 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.069 -1.643 2.529 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.263 -0.441 3.827 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.089 -0.209 2.268 1.00 0.33 H new ATOM 857 N ILE A 53 -19.149 4.583 1.973 1.00 0.33 N ATOM 858 CA ILE A 53 -19.082 6.032 1.902 1.00 0.35 C ATOM 859 C ILE A 53 -18.588 6.612 3.222 1.00 0.34 C ATOM 860 O ILE A 53 -17.690 7.456 3.243 1.00 0.35 O ATOM 861 CB ILE A 53 -20.455 6.643 1.533 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.798 6.384 0.061 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.479 8.141 1.815 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.906 4.924 -0.326 1.00 0.55 C ATOM 0 H ILE A 53 -20.074 4.214 2.194 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.373 6.291 1.115 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.206 6.157 2.155 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.744 6.875 -0.167 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.036 6.854 -0.562 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.455 8.546 1.547 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.293 8.315 2.875 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.707 8.635 1.225 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.151 4.846 -1.385 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.955 4.426 -0.136 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.689 4.448 0.264 1.00 0.55 H new ATOM 876 N ALA A 54 -19.173 6.154 4.320 1.00 0.37 N ATOM 877 CA ALA A 54 -18.768 6.606 5.640 1.00 0.38 C ATOM 878 C ALA A 54 -17.397 6.053 5.995 1.00 0.33 C ATOM 879 O ALA A 54 -17.133 4.864 5.803 1.00 0.32 O ATOM 880 CB ALA A 54 -19.794 6.205 6.686 1.00 0.46 C ATOM 0 H ALA A 54 -19.929 5.470 4.321 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.707 7.694 5.624 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.470 6.554 7.666 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.757 6.653 6.442 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.893 5.120 6.702 1.00 0.46 H new ATOM 886 N SER A 55 -16.532 6.933 6.485 1.00 0.34 N ATOM 887 CA SER A 55 -15.167 6.587 6.852 1.00 0.34 C ATOM 888 C SER A 55 -15.141 5.371 7.784 1.00 0.32 C ATOM 889 O SER A 55 -15.486 5.473 8.965 1.00 0.36 O ATOM 890 CB SER A 55 -14.523 7.791 7.529 1.00 0.41 C ATOM 891 OG SER A 55 -14.922 8.997 6.901 1.00 1.42 O ATOM 0 H SER A 55 -16.762 7.915 6.640 1.00 0.34 H new ATOM 0 HA SER A 55 -14.608 6.324 5.954 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.804 7.814 8.582 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.438 7.698 7.490 1.00 0.41 H new ATOM 0 HG SER A 55 -14.136 9.563 6.751 1.00 1.42 H new ATOM 897 N LYS A 56 -14.746 4.224 7.253 1.00 0.30 N ATOM 898 CA LYS A 56 -14.788 2.981 8.008 1.00 0.31 C ATOM 899 C LYS A 56 -13.521 2.163 7.779 1.00 0.29 C ATOM 900 O LYS A 56 -13.088 1.988 6.641 1.00 0.27 O ATOM 901 CB LYS A 56 -16.005 2.163 7.573 1.00 0.34 C ATOM 902 CG LYS A 56 -16.440 1.102 8.574 1.00 0.40 C ATOM 903 CD LYS A 56 -17.352 0.063 7.931 1.00 0.51 C ATOM 904 CE LYS A 56 -18.448 0.700 7.083 1.00 0.94 C ATOM 905 NZ LYS A 56 -19.386 1.531 7.884 1.00 1.71 N ATOM 0 H LYS A 56 -14.392 4.128 6.301 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.859 3.222 9.069 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.839 2.842 7.396 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.781 1.678 6.623 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.560 0.609 8.987 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.959 1.577 9.406 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -16.756 -0.605 7.309 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.808 -0.549 8.710 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.990 1.318 6.311 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -19.008 -0.084 6.573 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -20.109 1.939 7.258 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.846 0.939 8.605 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.860 2.297 8.350 1.00 1.71 H new ATOM 919 N ASN A 57 -12.930 1.665 8.855 1.00 0.36 N ATOM 920 CA ASN A 57 -11.768 0.787 8.747 1.00 0.37 C ATOM 921 C ASN A 57 -12.230 -0.639 8.481 1.00 0.33 C ATOM 922 O ASN A 57 -12.783 -1.292 9.369 1.00 0.41 O ATOM 923 CB ASN A 57 -10.919 0.834 10.029 1.00 0.50 C ATOM 924 CG ASN A 57 -10.147 2.134 10.186 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.538 3.176 9.663 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.049 2.090 10.924 1.00 1.13 N ATOM 0 H ASN A 57 -13.233 1.851 9.811 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.149 1.132 7.919 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.569 0.698 10.893 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.217 0.000 10.024 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -8.500 2.937 11.073 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -8.752 1.209 11.344 1.00 1.13 H new ATOM 933 N VAL A 58 -12.026 -1.124 7.262 1.00 0.28 N ATOM 934 CA VAL A 58 -12.507 -2.448 6.894 1.00 0.27 C ATOM 935 C VAL A 58 -11.348 -3.395 6.585 1.00 0.25 C ATOM 936 O VAL A 58 -10.374 -3.029 5.924 1.00 0.25 O ATOM 937 CB VAL A 58 -13.486 -2.404 5.692 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.567 -1.352 5.909 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.748 -2.167 4.384 1.00 0.57 C ATOM 0 H VAL A 58 -11.536 -0.626 6.519 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.053 -2.827 7.758 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.971 -3.378 5.624 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.241 -1.341 5.052 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.131 -1.590 6.811 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.104 -0.372 6.019 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.463 -2.142 3.562 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.217 -1.216 4.433 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -12.033 -2.973 4.218 1.00 0.57 H new ATOM 949 N LEU A 59 -11.450 -4.601 7.110 1.00 0.28 N ATOM 950 CA LEU A 59 -10.444 -5.627 6.912 1.00 0.26 C ATOM 951 C LEU A 59 -10.820 -6.470 5.695 1.00 0.26 C ATOM 952 O LEU A 59 -11.995 -6.787 5.495 1.00 0.30 O ATOM 953 CB LEU A 59 -10.349 -6.476 8.193 1.00 0.30 C ATOM 954 CG LEU A 59 -9.143 -7.415 8.321 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.427 -8.756 7.683 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.906 -6.794 7.704 1.00 0.67 C ATOM 0 H LEU A 59 -12.236 -4.898 7.688 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.466 -5.186 6.721 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.343 -5.799 9.048 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.255 -7.077 8.268 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.959 -7.572 9.384 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.555 -9.401 7.789 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.283 -9.219 8.175 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.649 -8.616 6.625 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -7.065 -7.479 7.808 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -8.086 -6.598 6.647 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.676 -5.858 8.213 1.00 0.67 H new ATOM 968 N THR A 60 -9.833 -6.816 4.879 1.00 0.22 N ATOM 969 CA THR A 60 -10.092 -7.514 3.629 1.00 0.22 C ATOM 970 C THR A 60 -10.470 -8.971 3.858 1.00 0.24 C ATOM 971 O THR A 60 -10.009 -9.615 4.800 1.00 0.33 O ATOM 972 CB THR A 60 -8.885 -7.443 2.670 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.705 -7.943 3.309 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.648 -6.018 2.204 1.00 0.24 C ATOM 0 H THR A 60 -8.848 -6.625 5.061 1.00 0.22 H new ATOM 0 HA THR A 60 -10.937 -7.002 3.168 1.00 0.22 H new ATOM 0 HB THR A 60 -9.111 -8.063 1.802 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.393 -8.744 2.839 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.792 -5.993 1.529 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.533 -5.654 1.682 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.449 -5.382 3.066 1.00 0.24 H new ATOM 982 N THR A 61 -11.311 -9.476 2.977 1.00 0.27 N ATOM 983 CA THR A 61 -11.806 -10.837 3.056 1.00 0.33 C ATOM 984 C THR A 61 -10.785 -11.837 2.528 1.00 0.33 C ATOM 985 O THR A 61 -10.866 -13.034 2.800 1.00 0.43 O ATOM 986 CB THR A 61 -13.097 -10.946 2.239 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.922 -10.269 0.986 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.261 -10.324 2.995 1.00 0.46 C ATOM 0 H THR A 61 -11.673 -8.951 2.181 1.00 0.27 H new ATOM 0 HA THR A 61 -11.995 -11.073 4.103 1.00 0.33 H new ATOM 0 HB THR A 61 -13.318 -11.999 2.065 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.745 -10.338 0.459 1.00 0.48 H new ATOM 0 HG21 THR A 61 -15.170 -10.411 2.399 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.398 -10.843 3.943 1.00 0.46 H new ATOM 0 HG23 THR A 61 -14.051 -9.271 3.185 1.00 0.46 H new ATOM 996 N SER A 62 -9.816 -11.325 1.794 1.00 0.28 N ATOM 997 CA SER A 62 -8.816 -12.152 1.143 1.00 0.31 C ATOM 998 C SER A 62 -7.437 -11.525 1.316 1.00 0.26 C ATOM 999 O SER A 62 -7.327 -10.334 1.631 1.00 0.24 O ATOM 1000 CB SER A 62 -9.146 -12.293 -0.347 1.00 0.41 C ATOM 1001 OG SER A 62 -10.472 -12.762 -0.538 1.00 1.09 O ATOM 0 H SER A 62 -9.699 -10.325 1.632 1.00 0.28 H new ATOM 0 HA SER A 62 -8.816 -13.142 1.600 1.00 0.31 H new ATOM 0 HB2 SER A 62 -9.024 -11.330 -0.842 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.443 -12.983 -0.814 1.00 0.41 H new ATOM 0 HG SER A 62 -10.656 -12.841 -1.497 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.396 -12.323 1.128 1.00 0.26 N ATOM 1008 CA GLU A 63 -5.035 -11.825 1.235 1.00 0.23 C ATOM 1009 C GLU A 63 -4.618 -11.208 -0.086 1.00 0.24 C ATOM 1010 O GLU A 63 -5.072 -11.627 -1.153 1.00 0.35 O ATOM 1011 CB GLU A 63 -4.031 -12.929 1.615 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.475 -13.845 2.751 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.563 -14.818 2.340 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.266 -15.763 1.583 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.719 -14.637 2.762 1.00 2.06 O ATOM 0 H GLU A 63 -6.468 -13.315 0.901 1.00 0.26 H new ATOM 0 HA GLU A 63 -5.024 -11.081 2.031 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.834 -13.539 0.733 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -3.088 -12.460 1.895 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.614 -14.405 3.116 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.834 -13.237 3.581 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.770 -10.202 -0.017 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.246 -9.574 -1.212 1.00 0.17 C ATOM 1024 C PHE A 64 -1.744 -9.752 -1.279 1.00 0.16 C ATOM 1025 O PHE A 64 -1.100 -10.101 -0.287 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.604 -8.091 -1.257 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.031 -7.826 -1.653 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.062 -7.998 -0.743 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.338 -7.415 -2.938 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.371 -7.762 -1.108 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.647 -7.178 -3.310 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.665 -7.352 -2.394 1.00 0.28 C ATOM 0 H PHE A 64 -3.428 -9.801 0.857 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.701 -10.058 -2.076 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.421 -7.652 -0.276 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.941 -7.587 -1.961 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.838 -8.320 0.263 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.545 -7.278 -3.658 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.165 -7.898 -0.389 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.874 -6.857 -4.316 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.689 -7.168 -2.682 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.195 -9.504 -2.448 1.00 0.17 N ATOM 1043 CA TYR A 65 0.223 -9.689 -2.686 1.00 0.16 C ATOM 1044 C TYR A 65 0.977 -8.467 -2.195 1.00 0.16 C ATOM 1045 O TYR A 65 0.929 -7.416 -2.811 1.00 0.18 O ATOM 1046 CB TYR A 65 0.463 -9.916 -4.179 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.434 -10.984 -4.763 1.00 0.30 C ATOM 1048 CD1 TYR A 65 -0.247 -12.324 -4.452 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.483 -10.645 -5.608 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -1.076 -13.298 -4.973 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -2.316 -11.612 -6.130 1.00 0.51 C ATOM 1052 CZ TYR A 65 -2.111 -12.935 -5.811 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.943 -13.900 -6.333 1.00 0.66 O ATOM 0 H TYR A 65 -1.715 -9.169 -3.259 1.00 0.17 H new ATOM 0 HA TYR A 65 0.584 -10.562 -2.142 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.302 -8.980 -4.714 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.504 -10.197 -4.336 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.559 -12.609 -3.792 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.649 -9.608 -5.860 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.915 -14.337 -4.726 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -3.126 -11.332 -6.787 1.00 0.51 H new ATOM 0 HH TYR A 65 -3.619 -13.476 -6.902 1.00 0.66 H new ATOM 1063 N LEU A 66 1.655 -8.600 -1.076 1.00 0.15 N ATOM 1064 CA LEU A 66 2.270 -7.453 -0.437 1.00 0.16 C ATOM 1065 C LEU A 66 3.777 -7.450 -0.626 1.00 0.16 C ATOM 1066 O LEU A 66 4.427 -8.502 -0.605 1.00 0.20 O ATOM 1067 CB LEU A 66 1.925 -7.437 1.050 1.00 0.18 C ATOM 1068 CG LEU A 66 0.427 -7.396 1.352 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.182 -7.387 2.851 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.221 -6.186 0.694 1.00 0.19 C ATOM 0 H LEU A 66 1.795 -9.486 -0.590 1.00 0.15 H new ATOM 0 HA LEU A 66 1.875 -6.554 -0.909 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.353 -8.323 1.519 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.400 -6.571 1.511 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.029 -8.295 0.937 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.890 -7.358 3.044 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.606 -8.288 3.294 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.654 -6.509 3.292 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.287 -6.176 0.921 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.240 -5.275 1.074 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.081 -6.240 -0.386 1.00 0.19 H new ATOM 1082 N SER A 67 4.316 -6.265 -0.837 1.00 0.17 N ATOM 1083 CA SER A 67 5.747 -6.076 -0.921 1.00 0.18 C ATOM 1084 C SER A 67 6.153 -4.946 0.015 1.00 0.22 C ATOM 1085 O SER A 67 5.828 -3.783 -0.221 1.00 0.26 O ATOM 1086 CB SER A 67 6.148 -5.751 -2.359 1.00 0.22 C ATOM 1087 OG SER A 67 5.725 -6.774 -3.248 1.00 0.29 O ATOM 0 H SER A 67 3.774 -5.409 -0.955 1.00 0.17 H new ATOM 0 HA SER A 67 6.258 -6.991 -0.623 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.707 -4.800 -2.657 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.230 -5.634 -2.421 1.00 0.22 H new ATOM 0 HG SER A 67 6.379 -6.870 -3.971 1.00 0.29 H new ATOM 1093 N ASP A 68 6.847 -5.296 1.083 1.00 0.26 N ATOM 1094 CA ASP A 68 7.185 -4.328 2.116 1.00 0.34 C ATOM 1095 C ASP A 68 8.614 -3.840 1.961 1.00 0.29 C ATOM 1096 O ASP A 68 9.560 -4.621 2.040 1.00 0.34 O ATOM 1097 CB ASP A 68 6.986 -4.938 3.506 1.00 0.46 C ATOM 1098 CG ASP A 68 7.276 -3.953 4.623 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.490 -2.997 4.798 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.299 -4.126 5.321 1.00 2.01 O ATOM 0 H ASP A 68 7.188 -6.241 1.259 1.00 0.26 H new ATOM 0 HA ASP A 68 6.518 -3.473 2.005 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.960 -5.295 3.599 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.636 -5.806 3.614 1.00 0.46 H new ATOM 1105 N CYS A 69 8.761 -2.550 1.725 1.00 0.28 N ATOM 1106 CA CYS A 69 10.072 -1.937 1.627 1.00 0.26 C ATOM 1107 C CYS A 69 10.476 -1.363 2.971 1.00 0.30 C ATOM 1108 O CYS A 69 9.832 -0.444 3.474 1.00 0.35 O ATOM 1109 CB CYS A 69 10.049 -0.820 0.587 1.00 0.25 C ATOM 1110 SG CYS A 69 9.776 -1.380 -1.119 1.00 0.62 S ATOM 0 H CYS A 69 7.983 -1.903 1.597 1.00 0.28 H new ATOM 0 HA CYS A 69 10.793 -2.697 1.326 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.265 -0.111 0.852 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.995 -0.281 0.631 1.00 0.25 H new ATOM 1115 N ASN A 70 11.557 -1.874 3.534 1.00 0.35 N ATOM 1116 CA ASN A 70 12.014 -1.434 4.845 1.00 0.42 C ATOM 1117 C ASN A 70 13.499 -1.111 4.822 1.00 0.44 C ATOM 1118 O ASN A 70 14.274 -1.751 4.108 1.00 0.49 O ATOM 1119 CB ASN A 70 11.708 -2.497 5.910 1.00 0.51 C ATOM 1120 CG ASN A 70 12.126 -3.898 5.487 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.264 -4.317 5.704 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.197 -4.644 4.905 1.00 1.08 N ATOM 0 H ASN A 70 12.137 -2.595 3.105 1.00 0.35 H new ATOM 0 HA ASN A 70 11.474 -0.523 5.103 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.220 -2.235 6.836 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.639 -2.492 6.125 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.414 -5.599 4.621 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.265 -4.263 4.742 1.00 1.08 H new ATOM 1129 N VAL A 71 13.875 -0.082 5.578 1.00 0.47 N ATOM 1130 CA VAL A 71 15.258 0.370 5.643 1.00 0.51 C ATOM 1131 C VAL A 71 16.126 -0.662 6.366 1.00 0.56 C ATOM 1132 O VAL A 71 15.757 -1.171 7.426 1.00 0.60 O ATOM 1133 CB VAL A 71 15.343 1.756 6.333 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.968 1.677 7.805 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.721 2.372 6.162 1.00 0.82 C ATOM 0 H VAL A 71 13.232 0.457 6.158 1.00 0.47 H new ATOM 0 HA VAL A 71 15.639 0.476 4.627 1.00 0.51 H new ATOM 0 HB VAL A 71 14.617 2.404 5.841 1.00 0.54 H new ATOM 0 HG11 VAL A 71 15.040 2.668 8.253 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.947 1.309 7.901 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.648 0.997 8.318 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.749 3.343 6.656 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.470 1.717 6.606 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.934 2.499 5.101 1.00 0.82 H new ATOM 1145 N THR A 72 17.269 -0.987 5.780 1.00 0.58 N ATOM 1146 CA THR A 72 18.086 -2.077 6.285 1.00 0.64 C ATOM 1147 C THR A 72 19.433 -1.609 6.829 1.00 0.75 C ATOM 1148 O THR A 72 19.596 -1.423 8.038 1.00 0.93 O ATOM 1149 CB THR A 72 18.320 -3.128 5.186 1.00 0.71 C ATOM 1150 OG1 THR A 72 18.750 -2.483 3.977 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.050 -3.911 4.918 1.00 0.78 C ATOM 0 H THR A 72 17.649 -0.514 4.960 1.00 0.58 H new ATOM 0 HA THR A 72 17.531 -2.516 7.114 1.00 0.64 H new ATOM 0 HB THR A 72 19.093 -3.817 5.527 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.899 -3.157 3.282 1.00 0.78 H new ATOM 0 HG21 THR A 72 17.236 -4.649 4.138 1.00 0.78 H new ATOM 0 HG22 THR A 72 16.736 -4.418 5.830 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.264 -3.229 4.593 1.00 0.78 H new ATOM 1159 N SER A 73 20.386 -1.417 5.932 1.00 0.86 N ATOM 1160 CA SER A 73 21.757 -1.132 6.311 1.00 1.02 C ATOM 1161 C SER A 73 22.024 0.365 6.336 1.00 0.90 C ATOM 1162 O SER A 73 22.325 0.939 7.386 1.00 0.99 O ATOM 1163 CB SER A 73 22.703 -1.826 5.327 1.00 1.33 C ATOM 1164 OG SER A 73 22.334 -1.536 3.987 1.00 1.87 O ATOM 0 H SER A 73 20.230 -1.454 4.925 1.00 0.86 H new ATOM 0 HA SER A 73 21.929 -1.512 7.318 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.727 -1.498 5.507 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.680 -2.903 5.491 1.00 1.33 H new ATOM 0 HG SER A 73 22.951 -1.987 3.373 1.00 1.87 H new ATOM 1170 N ARG A 74 21.913 0.987 5.174 1.00 0.81 N ATOM 1171 CA ARG A 74 22.158 2.408 5.039 1.00 0.76 C ATOM 1172 C ARG A 74 20.848 3.177 4.936 1.00 0.68 C ATOM 1173 O ARG A 74 19.829 2.623 4.519 1.00 0.63 O ATOM 1174 CB ARG A 74 23.027 2.683 3.809 1.00 0.88 C ATOM 1175 CG ARG A 74 24.468 2.230 3.961 1.00 1.40 C ATOM 1176 CD ARG A 74 25.268 2.498 2.699 1.00 1.55 C ATOM 1177 NE ARG A 74 26.699 2.251 2.887 1.00 2.35 N ATOM 1178 CZ ARG A 74 27.556 2.026 1.892 1.00 2.74 C ATOM 1179 NH1 ARG A 74 27.122 1.954 0.640 1.00 2.41 N ATOM 1180 NH2 ARG A 74 28.848 1.854 2.146 1.00 3.76 N ATOM 0 H ARG A 74 21.652 0.522 4.304 1.00 0.81 H new ATOM 0 HA ARG A 74 22.687 2.747 5.930 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.588 2.182 2.946 1.00 0.88 H new ATOM 0 HB3 ARG A 74 23.013 3.752 3.598 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.928 2.749 4.802 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.494 1.165 4.191 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.895 1.866 1.893 1.00 1.55 H new ATOM 0 HD3 ARG A 74 25.117 3.532 2.388 1.00 1.55 H new ATOM 0 HE ARG A 74 27.063 2.251 3.840 1.00 2.35 H new ATOM 0 HH11 ARG A 74 26.129 2.071 0.437 1.00 2.41 H new ATOM 0 HH12 ARG A 74 27.781 1.782 -0.119 1.00 2.41 H new ATOM 0 HH21 ARG A 74 29.189 1.894 3.107 1.00 3.76 H new ATOM 0 HH22 ARG A 74 29.500 1.682 1.380 1.00 3.76 H new ATOM 1194 N PRO A 75 20.854 4.460 5.328 1.00 0.74 N ATOM 1195 CA PRO A 75 19.680 5.327 5.220 1.00 0.74 C ATOM 1196 C PRO A 75 19.149 5.392 3.792 1.00 0.65 C ATOM 1197 O PRO A 75 19.913 5.589 2.843 1.00 0.70 O ATOM 1198 CB PRO A 75 20.198 6.699 5.658 1.00 0.92 C ATOM 1199 CG PRO A 75 21.382 6.402 6.506 1.00 1.05 C ATOM 1200 CD PRO A 75 22.003 5.166 5.920 1.00 0.92 C ATOM 0 HA PRO A 75 18.849 4.964 5.825 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.470 7.312 4.799 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.440 7.249 6.215 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.086 7.234 6.500 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.090 6.239 7.543 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.755 5.410 5.170 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.497 4.563 6.682 1.00 0.92 H new ATOM 1208 N CYS A 76 17.841 5.196 3.657 1.00 0.57 N ATOM 1209 CA CYS A 76 17.157 5.221 2.364 1.00 0.52 C ATOM 1210 C CYS A 76 17.606 4.048 1.476 1.00 0.51 C ATOM 1211 O CYS A 76 17.385 4.044 0.265 1.00 0.55 O ATOM 1212 CB CYS A 76 17.361 6.574 1.661 1.00 0.58 C ATOM 1213 SG CYS A 76 16.248 6.858 0.243 1.00 1.55 S ATOM 0 H CYS A 76 17.220 5.014 4.445 1.00 0.57 H new ATOM 0 HA CYS A 76 16.089 5.101 2.544 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.216 7.373 2.388 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.393 6.640 1.317 1.00 0.58 H new ATOM 1218 N LYS A 77 18.228 3.046 2.092 1.00 0.50 N ATOM 1219 CA LYS A 77 18.504 1.785 1.419 1.00 0.50 C ATOM 1220 C LYS A 77 17.592 0.713 1.988 1.00 0.47 C ATOM 1221 O LYS A 77 17.447 0.596 3.206 1.00 0.51 O ATOM 1222 CB LYS A 77 19.976 1.388 1.561 1.00 0.60 C ATOM 1223 CG LYS A 77 20.903 2.183 0.656 1.00 1.30 C ATOM 1224 CD LYS A 77 20.535 1.986 -0.806 1.00 1.57 C ATOM 1225 CE LYS A 77 21.477 2.734 -1.731 1.00 2.24 C ATOM 1226 NZ LYS A 77 21.133 2.517 -3.160 1.00 2.60 N ATOM 0 H LYS A 77 18.550 3.086 3.059 1.00 0.50 H new ATOM 0 HA LYS A 77 18.308 1.899 0.353 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.284 1.527 2.597 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.082 0.327 1.336 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.846 3.241 0.910 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.934 1.871 0.821 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.558 0.923 -1.046 1.00 1.57 H new ATOM 0 HD3 LYS A 77 19.514 2.329 -0.973 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.438 3.800 -1.505 1.00 2.24 H new ATOM 0 HE3 LYS A 77 22.501 2.407 -1.550 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.536 3.285 -3.734 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.523 1.606 -3.477 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.099 2.508 -3.271 1.00 2.60 H new ATOM 1240 N TYR A 78 16.962 -0.054 1.112 1.00 0.45 N ATOM 1241 CA TYR A 78 15.875 -0.921 1.528 1.00 0.47 C ATOM 1242 C TYR A 78 16.045 -2.342 1.029 1.00 0.52 C ATOM 1243 O TYR A 78 16.822 -2.612 0.114 1.00 0.59 O ATOM 1244 CB TYR A 78 14.546 -0.368 1.009 1.00 0.48 C ATOM 1245 CG TYR A 78 14.296 1.063 1.405 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.829 1.378 2.668 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.535 2.101 0.514 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.605 2.684 3.040 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.313 3.413 0.877 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.849 3.697 2.141 1.00 1.17 C ATOM 1251 OH TYR A 78 13.621 4.997 2.509 1.00 1.44 O ATOM 0 H TYR A 78 17.183 -0.093 0.117 1.00 0.45 H new ATOM 0 HA TYR A 78 15.883 -0.945 2.618 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.530 -0.444 -0.078 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.732 -0.988 1.384 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.637 0.585 3.375 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.900 1.878 -0.478 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.240 2.912 4.031 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.502 4.211 0.175 1.00 0.99 H new ATOM 0 HH TYR A 78 13.062 5.016 3.313 1.00 1.44 H new ATOM 1261 N LYS A 79 15.308 -3.240 1.657 1.00 0.53 N ATOM 1262 CA LYS A 79 15.185 -4.612 1.204 1.00 0.58 C ATOM 1263 C LYS A 79 13.727 -4.867 0.855 1.00 0.46 C ATOM 1264 O LYS A 79 12.833 -4.372 1.546 1.00 0.47 O ATOM 1265 CB LYS A 79 15.635 -5.574 2.307 1.00 0.78 C ATOM 1266 CG LYS A 79 15.626 -7.038 1.908 1.00 1.39 C ATOM 1267 CD LYS A 79 15.827 -7.944 3.113 1.00 2.02 C ATOM 1268 CE LYS A 79 17.137 -7.652 3.831 1.00 2.63 C ATOM 1269 NZ LYS A 79 17.311 -8.510 5.032 1.00 3.52 N ATOM 0 H LYS A 79 14.774 -3.035 2.502 1.00 0.53 H new ATOM 0 HA LYS A 79 15.816 -4.775 0.330 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.643 -5.302 2.620 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.986 -5.443 3.173 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.679 -7.279 1.424 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.414 -7.222 1.177 1.00 1.39 H new ATOM 0 HD2 LYS A 79 14.996 -7.815 3.807 1.00 2.02 H new ATOM 0 HD3 LYS A 79 15.814 -8.985 2.791 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.970 -7.812 3.146 1.00 2.63 H new ATOM 0 HE3 LYS A 79 17.164 -6.603 4.127 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 18.214 -8.282 5.494 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 16.529 -8.339 5.697 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.311 -9.510 4.747 1.00 3.52 H new ATOM 1283 N LEU A 80 13.478 -5.606 -0.209 1.00 0.45 N ATOM 1284 CA LEU A 80 12.115 -5.903 -0.598 1.00 0.41 C ATOM 1285 C LEU A 80 11.649 -7.165 0.114 1.00 0.42 C ATOM 1286 O LEU A 80 12.408 -8.125 0.270 1.00 0.49 O ATOM 1287 CB LEU A 80 12.002 -6.049 -2.120 1.00 0.50 C ATOM 1288 CG LEU A 80 10.586 -5.924 -2.698 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.794 -7.200 -2.512 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.854 -4.762 -2.063 1.00 0.74 C ATOM 0 H LEU A 80 14.195 -6.008 -0.814 1.00 0.45 H new ATOM 0 HA LEU A 80 11.469 -5.076 -0.303 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.633 -5.293 -2.587 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.406 -7.021 -2.404 1.00 0.50 H new ATOM 0 HG LEU A 80 10.684 -5.742 -3.768 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.797 -7.074 -2.933 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.301 -8.020 -3.020 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.713 -7.426 -1.449 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.852 -4.689 -2.485 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.784 -4.921 -0.987 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.398 -3.838 -2.259 1.00 0.74 H new ATOM 1302 N LYS A 81 10.399 -7.161 0.535 1.00 0.40 N ATOM 1303 CA LYS A 81 9.855 -8.255 1.323 1.00 0.44 C ATOM 1304 C LYS A 81 8.538 -8.738 0.720 1.00 0.38 C ATOM 1305 O LYS A 81 7.501 -8.087 0.856 1.00 0.36 O ATOM 1306 CB LYS A 81 9.657 -7.802 2.773 1.00 0.49 C ATOM 1307 CG LYS A 81 9.394 -8.938 3.747 1.00 0.60 C ATOM 1308 CD LYS A 81 9.345 -8.434 5.182 1.00 0.71 C ATOM 1309 CE LYS A 81 8.123 -7.565 5.434 1.00 1.18 C ATOM 1310 NZ LYS A 81 8.126 -6.976 6.801 1.00 1.87 N ATOM 0 H LYS A 81 9.737 -6.409 0.344 1.00 0.40 H new ATOM 0 HA LYS A 81 10.558 -9.088 1.312 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.544 -7.258 3.097 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.822 -7.103 2.813 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.451 -9.423 3.497 1.00 0.60 H new ATOM 0 HG3 LYS A 81 10.176 -9.692 3.650 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.334 -9.283 5.865 1.00 0.71 H new ATOM 0 HD3 LYS A 81 10.248 -7.863 5.398 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.090 -6.764 4.695 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.221 -8.161 5.299 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.255 -7.251 7.299 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 8.952 -7.326 7.328 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.173 -5.939 6.732 1.00 1.87 H new ATOM 1324 N LYS A 82 8.600 -9.872 0.039 1.00 0.40 N ATOM 1325 CA LYS A 82 7.448 -10.427 -0.659 1.00 0.37 C ATOM 1326 C LYS A 82 6.645 -11.360 0.239 1.00 0.36 C ATOM 1327 O LYS A 82 7.158 -12.361 0.740 1.00 0.46 O ATOM 1328 CB LYS A 82 7.918 -11.162 -1.916 1.00 0.47 C ATOM 1329 CG LYS A 82 8.554 -10.230 -2.929 1.00 0.54 C ATOM 1330 CD LYS A 82 9.536 -10.943 -3.844 1.00 0.76 C ATOM 1331 CE LYS A 82 10.303 -9.936 -4.688 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.416 -10.554 -5.449 1.00 1.10 N ATOM 0 H LYS A 82 9.448 -10.433 -0.046 1.00 0.40 H new ATOM 0 HA LYS A 82 6.790 -9.606 -0.944 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.636 -11.933 -1.635 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.069 -11.669 -2.376 1.00 0.47 H new ATOM 0 HG2 LYS A 82 7.773 -9.767 -3.531 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.070 -9.426 -2.404 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.233 -11.534 -3.250 1.00 0.76 H new ATOM 0 HD3 LYS A 82 9.001 -11.637 -4.492 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.616 -9.454 -5.384 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.701 -9.155 -4.041 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 12.044 -9.809 -5.813 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.955 -11.186 -4.824 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.031 -11.101 -6.245 1.00 1.10 H new ATOM 1346 N SER A 83 5.384 -11.014 0.442 1.00 0.31 N ATOM 1347 CA SER A 83 4.483 -11.822 1.250 1.00 0.36 C ATOM 1348 C SER A 83 3.051 -11.702 0.735 1.00 0.31 C ATOM 1349 O SER A 83 2.771 -10.881 -0.139 1.00 0.50 O ATOM 1350 CB SER A 83 4.573 -11.378 2.713 1.00 0.46 C ATOM 1351 OG SER A 83 4.539 -9.964 2.817 1.00 1.12 O ATOM 0 H SER A 83 4.958 -10.172 0.055 1.00 0.31 H new ATOM 0 HA SER A 83 4.778 -12.869 1.179 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.747 -11.808 3.279 1.00 0.46 H new ATOM 0 HB3 SER A 83 5.494 -11.757 3.156 1.00 0.46 H new ATOM 0 HG SER A 83 4.596 -9.704 3.760 1.00 1.12 H new ATOM 1357 N THR A 84 2.160 -12.529 1.258 1.00 0.25 N ATOM 1358 CA THR A 84 0.750 -12.462 0.905 1.00 0.23 C ATOM 1359 C THR A 84 -0.102 -12.472 2.171 1.00 0.22 C ATOM 1360 O THR A 84 -0.130 -13.463 2.904 1.00 0.29 O ATOM 1361 CB THR A 84 0.335 -13.641 0.000 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.340 -13.888 -0.995 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.985 -13.348 -0.696 1.00 0.27 C ATOM 0 H THR A 84 2.390 -13.259 1.932 1.00 0.25 H new ATOM 0 HA THR A 84 0.589 -11.535 0.354 1.00 0.23 H new ATOM 0 HB THR A 84 0.222 -14.521 0.633 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.063 -14.639 -1.560 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.258 -14.193 -1.329 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.762 -13.188 0.051 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.882 -12.453 -1.310 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.788 -11.370 2.432 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.605 -11.253 3.628 1.00 0.18 C ATOM 1373 C ASN A 85 -2.729 -10.265 3.396 1.00 0.17 C ATOM 1374 O ASN A 85 -2.673 -9.458 2.466 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.777 -10.808 4.833 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.354 -11.326 6.136 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.070 -12.330 6.154 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -1.031 -10.664 7.233 1.00 0.37 N ATOM 0 H ASN A 85 -0.795 -10.545 1.832 1.00 0.18 H new ATOM 0 HA ASN A 85 -2.018 -12.239 3.842 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.247 -11.165 4.722 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.734 -9.719 4.862 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -1.377 -10.979 8.139 1.00 0.37 H new ATOM 0 HD22 ASN A 85 -0.436 -9.838 7.173 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.763 -10.349 4.216 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.849 -9.393 4.175 1.00 0.19 C ATOM 1387 C LYS A 86 -4.379 -8.070 4.758 1.00 0.18 C ATOM 1388 O LYS A 86 -3.259 -7.973 5.256 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.024 -9.921 4.986 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.366 -11.366 4.677 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.543 -11.836 5.501 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.777 -13.327 5.337 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.741 -13.854 6.336 1.00 1.17 N ATOM 0 H LYS A 86 -3.870 -11.077 4.922 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.163 -9.243 3.142 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.795 -9.828 6.048 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.898 -9.299 4.793 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.596 -11.469 3.617 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.501 -11.998 4.879 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.367 -11.608 6.552 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.438 -11.291 5.202 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -8.151 -13.527 4.333 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.829 -13.855 5.435 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.871 -14.875 6.188 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.373 -13.687 7.295 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.654 -13.369 6.226 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.223 -7.057 4.698 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.920 -5.784 5.327 1.00 0.18 C ATOM 1409 C PHE A 87 -6.192 -4.999 5.585 1.00 0.18 C ATOM 1410 O PHE A 87 -7.194 -5.186 4.899 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.934 -4.961 4.486 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.265 -4.866 3.017 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.371 -4.159 2.573 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.451 -5.476 2.077 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.660 -4.067 1.224 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -3.733 -5.384 0.729 1.00 0.29 C ATOM 1417 CZ PHE A 87 -4.839 -4.680 0.300 1.00 0.20 C ATOM 0 H PHE A 87 -6.124 -7.090 4.220 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.442 -5.993 6.284 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.885 -3.953 4.897 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.940 -5.397 4.591 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -6.016 -3.673 3.290 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -2.584 -6.031 2.403 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.528 -3.516 0.894 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.087 -5.864 0.009 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.061 -4.609 -0.754 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.167 -4.153 6.598 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.304 -3.306 6.880 1.00 0.20 C ATOM 1429 C CYS A 88 -7.082 -1.955 6.223 1.00 0.20 C ATOM 1430 O CYS A 88 -6.055 -1.309 6.448 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.511 -3.116 8.387 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.201 -2.587 8.821 1.00 0.49 S ATOM 0 H CYS A 88 -5.377 -4.036 7.233 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.198 -3.785 6.482 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.288 -4.052 8.898 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.800 -2.375 8.754 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.019 -1.542 5.394 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.936 -0.247 4.747 1.00 0.22 C ATOM 1439 C VAL A 89 -9.032 0.664 5.265 1.00 0.24 C ATOM 1440 O VAL A 89 -10.154 0.223 5.515 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.022 -0.352 3.205 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.735 -0.931 2.643 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.216 -1.197 2.774 1.00 0.20 C ATOM 0 H VAL A 89 -8.848 -2.085 5.152 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.960 0.174 4.990 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.161 0.653 2.807 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.810 -0.999 1.558 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.899 -0.285 2.909 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.572 -1.925 3.058 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.249 -1.252 1.686 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.118 -2.202 3.185 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.136 -0.742 3.142 1.00 0.20 H new ATOM 1453 N THR A 90 -8.698 1.924 5.474 1.00 0.26 N ATOM 1454 CA THR A 90 -9.687 2.893 5.882 1.00 0.28 C ATOM 1455 C THR A 90 -10.454 3.370 4.654 1.00 0.25 C ATOM 1456 O THR A 90 -9.907 4.085 3.811 1.00 0.25 O ATOM 1457 CB THR A 90 -9.042 4.100 6.583 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.245 3.652 7.686 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.101 5.079 7.076 1.00 0.40 C ATOM 0 H THR A 90 -7.754 2.295 5.368 1.00 0.26 H new ATOM 0 HA THR A 90 -10.362 2.414 6.592 1.00 0.28 H new ATOM 0 HB THR A 90 -8.410 4.616 5.861 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.805 3.582 8.487 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.616 5.922 7.568 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.686 5.439 6.230 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.760 4.576 7.784 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.698 2.955 4.542 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.508 3.290 3.387 1.00 0.22 C ATOM 1469 C CYS A 91 -13.317 4.551 3.629 1.00 0.25 C ATOM 1470 O CYS A 91 -13.993 4.677 4.646 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.434 2.127 3.067 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.546 0.581 2.726 1.00 0.20 S ATOM 0 H CYS A 91 -12.173 2.382 5.240 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.846 3.477 2.541 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.114 1.971 3.904 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.046 2.385 2.203 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.232 5.485 2.697 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.990 6.716 2.785 1.00 0.29 C ATOM 1479 C GLU A 92 -14.433 7.144 1.392 1.00 0.27 C ATOM 1480 O GLU A 92 -13.600 7.319 0.500 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.146 7.814 3.431 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.967 8.953 4.007 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.113 10.100 4.496 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.745 10.965 3.675 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.807 10.145 5.706 1.00 0.76 O ATOM 0 H GLU A 92 -12.642 5.411 1.868 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.871 6.548 3.405 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.541 7.376 4.225 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.456 8.214 2.688 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.657 9.318 3.247 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.572 8.578 4.833 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.742 7.288 1.209 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.317 7.669 -0.084 1.00 0.31 C ATOM 1494 C ASN A 93 -15.964 6.647 -1.157 1.00 0.28 C ATOM 1495 O ASN A 93 -15.653 6.999 -2.295 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.858 9.071 -0.505 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.411 10.153 0.401 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.509 10.666 0.177 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.652 10.514 1.424 1.00 0.65 N ATOM 0 H ASN A 93 -16.433 7.146 1.945 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.401 7.689 0.029 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.769 9.113 -0.494 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.174 9.262 -1.530 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.970 11.243 2.063 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.749 10.063 1.573 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.025 5.373 -0.768 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.833 4.242 -1.677 1.00 0.25 C ATOM 1508 C GLN A 94 -14.386 4.110 -2.136 1.00 0.22 C ATOM 1509 O GLN A 94 -14.087 3.367 -3.070 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.760 4.352 -2.886 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.223 4.493 -2.508 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.144 4.500 -3.707 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.208 5.115 -3.679 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.736 3.835 -4.772 1.00 0.48 N ATOM 0 H GLN A 94 -16.211 5.094 0.195 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.084 3.341 -1.117 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.462 5.211 -3.487 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.637 3.468 -3.512 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.503 3.673 -1.847 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.360 5.417 -1.946 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.846 3.338 -4.753 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.311 3.818 -5.614 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.487 4.809 -1.469 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.077 4.733 -1.804 1.00 0.19 C ATOM 1525 C ALA A 95 -11.220 4.579 -0.554 1.00 0.17 C ATOM 1526 O ALA A 95 -11.468 5.232 0.461 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.656 5.966 -2.588 1.00 0.21 C ATOM 0 H ALA A 95 -13.707 5.434 -0.694 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.924 3.850 -2.425 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.596 5.897 -2.833 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.238 6.029 -3.508 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.832 6.858 -1.986 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.236 3.670 -0.603 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.222 3.542 0.445 1.00 0.17 C ATOM 1535 C PRO A 96 -8.435 4.842 0.623 1.00 0.19 C ATOM 1536 O PRO A 96 -7.782 5.312 -0.309 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.302 2.427 -0.063 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.090 1.692 -1.095 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.064 2.676 -1.674 1.00 0.17 C ATOM 0 HA PRO A 96 -9.663 3.323 1.418 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.387 2.838 -0.489 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.006 1.763 0.749 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.436 1.293 -1.870 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.613 0.845 -0.652 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.678 3.132 -2.585 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.009 2.199 -1.933 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.517 5.432 1.811 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.860 6.710 2.073 1.00 0.24 C ATOM 1549 C VAL A 97 -6.713 6.566 3.073 1.00 0.27 C ATOM 1550 O VAL A 97 -5.778 7.367 3.080 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.860 7.767 2.590 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.914 8.062 1.538 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.517 7.307 3.879 1.00 0.35 C ATOM 0 H VAL A 97 -9.029 5.049 2.605 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.451 7.045 1.120 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.306 8.683 2.796 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.610 8.809 1.920 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.432 8.442 0.637 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.457 7.147 1.301 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.217 8.069 4.223 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.054 6.375 3.701 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.753 7.147 4.640 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.788 5.551 3.924 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.744 5.301 4.915 1.00 0.35 C ATOM 1565 C HIS A 98 -5.398 3.824 4.944 1.00 0.31 C ATOM 1566 O HIS A 98 -6.263 2.974 4.727 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.179 5.741 6.321 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.122 7.218 6.570 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.307 7.785 7.525 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.808 8.242 6.013 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.499 9.091 7.544 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.405 9.395 6.635 1.00 0.82 N ATOM 0 H HIS A 98 -7.561 4.886 3.950 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.871 5.886 4.625 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.199 5.398 6.493 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.547 5.240 7.054 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.540 8.165 5.222 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -4.998 9.793 8.195 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.749 10.333 6.429 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.142 3.520 5.206 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.716 2.141 5.345 1.00 0.29 C ATOM 1583 C PHE A 99 -3.513 1.828 6.819 1.00 0.29 C ATOM 1584 O PHE A 99 -2.659 2.428 7.477 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.429 1.894 4.556 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.082 0.438 4.416 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.806 -0.388 3.567 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.033 -0.104 5.140 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.487 -1.727 3.446 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.711 -1.441 5.022 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.448 -2.254 4.140 1.00 0.31 C ATOM 0 H PHE A 99 -3.399 4.208 5.327 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.485 1.482 4.941 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.531 2.332 3.563 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.605 2.410 5.049 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.627 0.020 2.996 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.461 0.527 5.804 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.070 -2.359 2.793 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.099 -1.860 5.601 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.187 -3.295 4.016 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.315 0.913 7.339 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.279 0.584 8.755 1.00 0.28 C ATOM 1603 C VAL A 100 -3.119 -0.366 9.055 1.00 0.28 C ATOM 1604 O VAL A 100 -2.065 0.057 9.535 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.615 -0.050 9.209 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.594 -0.373 10.696 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.791 0.863 8.864 1.00 0.29 C ATOM 0 H VAL A 100 -5.001 0.384 6.800 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.130 1.509 9.311 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.742 -0.988 8.669 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.546 -0.817 10.985 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.787 -1.076 10.904 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.433 0.543 11.265 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.721 0.398 9.192 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.667 1.822 9.368 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.825 1.021 7.786 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.316 -1.644 8.766 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.263 -2.628 8.932 1.00 0.29 C ATOM 1619 C GLY A 101 -2.623 -3.926 8.261 1.00 0.25 C ATOM 1620 O GLY A 101 -3.772 -4.109 7.855 1.00 0.28 O ATOM 0 H GLY A 101 -4.196 -2.021 8.415 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.333 -2.244 8.513 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.087 -2.801 9.994 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.667 -4.833 8.146 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.915 -6.087 7.455 1.00 0.22 C ATOM 1626 C VAL A 102 -2.397 -7.159 8.426 1.00 0.24 C ATOM 1627 O VAL A 102 -2.145 -7.089 9.633 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.682 -6.593 6.667 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.101 -5.427 6.083 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.208 -7.496 7.509 1.00 0.25 C ATOM 0 H VAL A 102 -0.723 -4.727 8.517 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.701 -5.885 6.727 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.051 -7.202 5.841 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.963 -5.806 5.534 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.540 -4.861 5.407 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.442 -4.777 6.889 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.059 -7.826 6.913 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.565 -6.946 8.379 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.362 -8.364 7.838 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.107 -8.136 7.888 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.681 -9.187 8.697 1.00 0.29 C ATOM 1642 C GLY A 103 -5.104 -8.868 9.091 1.00 0.28 C ATOM 1643 O GLY A 103 -6.053 -9.323 8.457 1.00 0.34 O ATOM 0 H GLY A 103 -3.298 -8.219 6.890 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.657 -10.127 8.145 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -3.077 -9.328 9.593 1.00 0.29 H new ATOM 1647 N SER A 104 -5.245 -8.092 10.146 1.00 0.33 N ATOM 1648 CA SER A 104 -6.530 -7.595 10.587 1.00 0.32 C ATOM 1649 C SER A 104 -6.328 -6.265 11.293 1.00 0.39 C ATOM 1650 O SER A 104 -5.198 -5.909 11.632 1.00 0.59 O ATOM 1651 CB SER A 104 -7.200 -8.607 11.516 1.00 0.45 C ATOM 1652 OG SER A 104 -7.486 -9.820 10.833 1.00 1.38 O ATOM 0 H SER A 104 -4.463 -7.786 10.726 1.00 0.33 H new ATOM 0 HA SER A 104 -7.183 -7.449 9.727 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.549 -8.810 12.367 1.00 0.45 H new ATOM 0 HB3 SER A 104 -8.123 -8.184 11.914 1.00 0.45 H new ATOM 0 HG SER A 104 -7.173 -9.755 9.906 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.398 -5.519 11.493 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.297 -4.266 12.206 1.00 0.53 C ATOM 1660 C CYS A 105 -7.977 -4.378 13.565 1.00 0.48 C ATOM 1661 O CYS A 105 -9.196 -4.111 13.653 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.883 -3.118 11.398 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.486 -3.454 10.620 1.00 1.01 S ATOM 1664 OXT CYS A 105 -7.305 -4.774 14.534 1.00 1.20 O ATOM 0 H CYS A 105 -8.337 -5.758 11.174 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.240 -4.048 12.361 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -7.990 -2.253 12.052 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -7.171 -2.843 10.620 1.00 0.82 H new TER 1669 CYS A 105