USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.0637 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.06 K(o=2.2,f=-3) USER MOD Set 2.2: A 90 THR OG1 : rot -62:sc= 1.19 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -139:sc= 0.375 (180deg=0) USER MOD Set 3.2: A 36 THR OG1 : rot -70:sc= 1.59 USER MOD Set 4.1: A 32 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0) USER MOD Set 4.2: A 35 ASN : amide:sc= 2.9 K(o=4.1,f=-9.8!) USER MOD Single : A 6 THR OG1 : rot 101:sc= 0.813 USER MOD Single : A 8 GLN : amide:sc=-0.00314 X(o=-0.0031,f=-0.0019) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.023) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= -0.0366 (180deg=-0.0394) USER MOD Single : A 11 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot 140:sc= -0.0304 USER MOD Single : A 14 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.34) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 25 SER OG : rot -118:sc= 1.1 USER MOD Single : A 26 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 27 ASN : amide:sc= 0.512 K(o=0.51,f=-0.21) USER MOD Single : A 30 HIS : no HE2:sc= -0.504 K(o=-0.5,f=-1.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 3:sc= 1.06 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0449) USER MOD Single : A 55 SER OG : rot 103:sc= 0.123 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 107:sc= -0.486 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -139:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -69:sc= 0.707 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.2) USER MOD Single : A 78 TYR OH : rot -32:sc= -0.0704 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0463 (180deg=-0.295) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.06) USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= 1.2 (180deg=0.211) 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= -0.845 K(o=-0.85,f=-8!) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.522) USER MOD Single : A 93 ASN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.9!) USER MOD Single : A 98 HIS : no HD1:sc= -1.79! K(o=-1.8!,f=-0.13) USER MOD Single : A 104 SER OG : rot 2:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.972 10.693 0.387 1.00 0.48 N ATOM 38 CA ASP A 3 -7.132 10.210 -0.349 1.00 0.44 C ATOM 39 C ASP A 3 -6.739 9.074 -1.279 1.00 0.32 C ATOM 40 O ASP A 3 -5.606 8.605 -1.242 1.00 0.32 O ATOM 41 CB ASP A 3 -7.724 11.352 -1.175 1.00 0.55 C ATOM 42 CG ASP A 3 -6.734 11.875 -2.197 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.904 12.741 -1.837 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.761 11.403 -3.350 1.00 1.97 O ATOM 0 HA ASP A 3 -7.870 9.844 0.365 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.623 11.005 -1.684 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.025 12.163 -0.512 1.00 0.55 H new ATOM 49 N TRP A 4 -7.674 8.672 -2.131 1.00 0.32 N ATOM 50 CA TRP A 4 -7.483 7.547 -3.040 1.00 0.27 C ATOM 51 C TRP A 4 -6.295 7.760 -3.981 1.00 0.24 C ATOM 52 O TRP A 4 -5.492 6.850 -4.195 1.00 0.25 O ATOM 53 CB TRP A 4 -8.765 7.318 -3.850 1.00 0.29 C ATOM 54 CG TRP A 4 -8.666 6.193 -4.839 1.00 0.28 C ATOM 55 CD1 TRP A 4 -9.045 6.220 -6.150 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.153 4.878 -4.597 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.798 5.005 -6.737 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.247 4.167 -5.806 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.621 4.236 -3.479 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.829 2.848 -5.923 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.208 2.922 -3.595 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.313 2.241 -4.811 1.00 0.22 C ATOM 0 H TRP A 4 -8.588 9.117 -2.212 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.262 6.666 -2.438 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.586 7.113 -3.163 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.016 8.236 -4.382 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.476 7.073 -6.652 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.993 4.765 -7.709 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.533 4.757 -2.537 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.909 2.319 -6.861 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.799 2.415 -2.734 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.980 1.215 -4.874 1.00 0.22 H new ATOM 73 N LEU A 5 -6.175 8.958 -4.535 1.00 0.28 N ATOM 74 CA LEU A 5 -5.108 9.254 -5.475 1.00 0.32 C ATOM 75 C LEU A 5 -3.763 9.247 -4.759 1.00 0.32 C ATOM 76 O LEU A 5 -2.754 8.783 -5.300 1.00 0.35 O ATOM 77 CB LEU A 5 -5.344 10.609 -6.149 1.00 0.42 C ATOM 78 CG LEU A 5 -6.502 10.667 -7.155 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.346 9.584 -8.209 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.857 10.558 -6.464 1.00 0.84 C ATOM 0 H LEU A 5 -6.804 9.739 -4.349 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.101 8.484 -6.246 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.526 11.352 -5.373 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.428 10.902 -6.662 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.465 11.640 -7.646 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.176 9.640 -8.914 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.406 9.728 -8.742 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.344 8.606 -7.728 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.651 10.603 -7.210 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.917 9.611 -5.928 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.974 11.382 -5.760 1.00 0.84 H new ATOM 92 N THR A 6 -3.768 9.742 -3.530 1.00 0.34 N ATOM 93 CA THR A 6 -2.569 9.779 -2.708 1.00 0.40 C ATOM 94 C THR A 6 -2.218 8.371 -2.216 1.00 0.35 C ATOM 95 O THR A 6 -1.044 7.988 -2.151 1.00 0.37 O ATOM 96 CB THR A 6 -2.765 10.739 -1.513 1.00 0.52 C ATOM 97 OG1 THR A 6 -3.120 12.045 -1.998 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.502 10.837 -0.667 1.00 0.61 C ATOM 0 H THR A 6 -4.597 10.127 -3.078 1.00 0.34 H new ATOM 0 HA THR A 6 -1.742 10.149 -3.314 1.00 0.40 H new ATOM 0 HB THR A 6 -3.564 10.343 -0.887 1.00 0.52 H new ATOM 0 HG1 THR A 6 -4.088 12.173 -1.914 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.673 11.520 0.165 1.00 0.61 H new ATOM 0 HG22 THR A 6 -1.246 9.851 -0.280 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.682 11.211 -1.280 1.00 0.61 H new ATOM 106 N PHE A 7 -3.252 7.603 -1.896 1.00 0.29 N ATOM 107 CA PHE A 7 -3.102 6.223 -1.459 1.00 0.26 C ATOM 108 C PHE A 7 -2.455 5.389 -2.558 1.00 0.23 C ATOM 109 O PHE A 7 -1.575 4.570 -2.295 1.00 0.24 O ATOM 110 CB PHE A 7 -4.479 5.645 -1.104 1.00 0.24 C ATOM 111 CG PHE A 7 -4.441 4.283 -0.471 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.341 3.149 -1.257 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.491 4.139 0.908 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.300 1.892 -0.684 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.450 2.885 1.488 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.387 1.768 0.709 1.00 0.27 C ATOM 0 H PHE A 7 -4.220 7.922 -1.933 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.460 6.196 -0.578 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.983 6.333 -0.425 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.082 5.593 -2.011 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.294 3.247 -2.332 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.563 5.016 1.535 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.202 1.013 -1.304 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.468 2.790 2.564 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.404 0.789 1.165 1.00 0.27 H new ATOM 126 N GLN A 8 -2.897 5.619 -3.788 1.00 0.23 N ATOM 127 CA GLN A 8 -2.392 4.896 -4.940 1.00 0.24 C ATOM 128 C GLN A 8 -0.884 5.023 -5.088 1.00 0.24 C ATOM 129 O GLN A 8 -0.178 4.016 -5.100 1.00 0.25 O ATOM 130 CB GLN A 8 -3.054 5.397 -6.207 1.00 0.27 C ATOM 131 CG GLN A 8 -4.279 4.599 -6.614 1.00 0.27 C ATOM 132 CD GLN A 8 -4.843 5.047 -7.944 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.438 4.555 -8.997 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.784 5.975 -7.907 1.00 0.45 N ATOM 0 H GLN A 8 -3.613 6.310 -4.011 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.630 3.845 -4.779 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.340 6.440 -6.069 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.328 5.371 -7.020 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.019 3.542 -6.670 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.046 4.698 -5.845 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.090 6.356 -7.012 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.204 6.310 -8.774 1.00 0.45 H new ATOM 143 N LYS A 9 -0.399 6.257 -5.203 1.00 0.26 N ATOM 144 CA LYS A 9 1.030 6.516 -5.381 1.00 0.29 C ATOM 145 C LYS A 9 1.864 5.750 -4.365 1.00 0.29 C ATOM 146 O LYS A 9 2.924 5.213 -4.681 1.00 0.33 O ATOM 147 CB LYS A 9 1.309 8.007 -5.208 1.00 0.32 C ATOM 148 CG LYS A 9 0.791 8.884 -6.329 1.00 0.33 C ATOM 149 CD LYS A 9 0.804 10.341 -5.904 1.00 0.67 C ATOM 150 CE LYS A 9 0.750 11.292 -7.088 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.458 11.084 -7.924 1.00 1.88 N ATOM 0 H LYS A 9 -0.976 7.097 -5.176 1.00 0.26 H new ATOM 0 HA LYS A 9 1.303 6.187 -6.384 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.864 8.339 -4.270 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.386 8.153 -5.119 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.407 8.752 -7.218 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.223 8.585 -6.596 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.046 10.533 -5.249 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.705 10.539 -5.324 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.766 12.320 -6.726 1.00 1.20 H new ATOM 0 HE3 LYS A 9 1.641 11.156 -7.701 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.512 11.829 -8.647 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -0.404 10.155 -8.388 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -1.306 11.122 -7.324 1.00 1.88 H new ATOM 165 N LYS A 10 1.356 5.703 -3.149 1.00 0.28 N ATOM 166 CA LYS A 10 2.122 5.203 -2.016 1.00 0.30 C ATOM 167 C LYS A 10 1.930 3.707 -1.771 1.00 0.26 C ATOM 168 O LYS A 10 2.734 3.092 -1.070 1.00 0.29 O ATOM 169 CB LYS A 10 1.755 5.992 -0.757 1.00 0.38 C ATOM 170 CG LYS A 10 2.097 7.473 -0.838 1.00 0.63 C ATOM 171 CD LYS A 10 1.579 8.228 0.376 1.00 0.73 C ATOM 172 CE LYS A 10 1.792 9.730 0.242 1.00 1.10 C ATOM 173 NZ LYS A 10 3.233 10.109 0.250 1.00 1.34 N ATOM 0 H LYS A 10 0.410 6.006 -2.916 1.00 0.28 H new ATOM 0 HA LYS A 10 3.175 5.345 -2.258 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.686 5.885 -0.571 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.272 5.556 0.098 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.178 7.595 -0.911 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.666 7.899 -1.744 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.517 8.022 0.506 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.086 7.868 1.271 1.00 0.73 H new ATOM 0 HE2 LYS A 10 1.334 10.077 -0.685 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.282 10.240 1.059 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.322 11.139 0.139 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.663 9.819 1.152 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 3.721 9.633 -0.535 1.00 1.34 H new ATOM 187 N HIS A 11 0.873 3.110 -2.314 1.00 0.25 N ATOM 188 CA HIS A 11 0.561 1.724 -1.961 1.00 0.24 C ATOM 189 C HIS A 11 0.211 0.853 -3.161 1.00 0.23 C ATOM 190 O HIS A 11 0.188 -0.366 -3.041 1.00 0.26 O ATOM 191 CB HIS A 11 -0.583 1.665 -0.944 1.00 0.26 C ATOM 192 CG HIS A 11 -0.279 2.351 0.353 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.624 1.865 1.278 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.758 3.505 0.869 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.684 2.692 2.306 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.145 3.697 2.081 1.00 0.37 N ATOM 0 H HIS A 11 0.234 3.545 -2.980 1.00 0.25 H new ATOM 0 HA HIS A 11 1.475 1.321 -1.524 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.471 2.119 -1.384 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.824 0.621 -0.744 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.160 1.003 1.182 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.489 4.156 0.411 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.305 2.568 3.181 1.00 0.34 H new ATOM 205 N ILE A 12 -0.055 1.447 -4.309 1.00 0.23 N ATOM 206 CA ILE A 12 -0.462 0.663 -5.472 1.00 0.24 C ATOM 207 C ILE A 12 0.716 0.461 -6.416 1.00 0.23 C ATOM 208 O ILE A 12 1.215 1.418 -7.013 1.00 0.30 O ATOM 209 CB ILE A 12 -1.641 1.329 -6.229 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.849 1.484 -5.303 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.024 0.527 -7.467 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.365 0.179 -4.736 1.00 0.48 C ATOM 0 H ILE A 12 0.000 2.453 -4.466 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.802 -0.307 -5.110 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.316 2.317 -6.554 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.579 2.144 -4.479 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.654 1.973 -5.852 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.853 1.018 -7.977 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.169 0.466 -8.140 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.325 -0.478 -7.171 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.221 0.376 -4.091 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.669 -0.477 -5.552 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.577 -0.303 -4.157 1.00 0.48 H new ATOM 224 N THR A 13 1.169 -0.784 -6.531 1.00 0.20 N ATOM 225 CA THR A 13 2.270 -1.109 -7.417 1.00 0.21 C ATOM 226 C THR A 13 1.857 -2.213 -8.392 1.00 0.22 C ATOM 227 O THR A 13 0.952 -3.006 -8.112 1.00 0.24 O ATOM 228 CB THR A 13 3.541 -1.526 -6.636 1.00 0.21 C ATOM 229 OG1 THR A 13 4.671 -1.590 -7.521 1.00 0.30 O ATOM 230 CG2 THR A 13 3.363 -2.874 -5.948 1.00 0.21 C ATOM 0 H THR A 13 0.788 -1.580 -6.020 1.00 0.20 H new ATOM 0 HA THR A 13 2.515 -0.208 -7.979 1.00 0.21 H new ATOM 0 HB THR A 13 3.714 -0.770 -5.870 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.460 -1.223 -7.071 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.276 -3.132 -5.411 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.532 -2.817 -5.245 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.154 -3.639 -6.696 1.00 0.21 H new ATOM 238 N ASN A 14 2.521 -2.245 -9.537 1.00 0.28 N ATOM 239 CA ASN A 14 2.192 -3.185 -10.600 1.00 0.33 C ATOM 240 C ASN A 14 3.281 -4.255 -10.728 1.00 0.32 C ATOM 241 O ASN A 14 3.278 -5.071 -11.649 1.00 0.36 O ATOM 242 CB ASN A 14 2.004 -2.405 -11.911 1.00 0.46 C ATOM 243 CG ASN A 14 1.613 -3.276 -13.090 1.00 1.36 C ATOM 244 OD1 ASN A 14 0.452 -3.653 -13.241 1.00 2.20 O ATOM 245 ND2 ASN A 14 2.568 -3.551 -13.969 1.00 2.08 N ATOM 0 H ASN A 14 3.300 -1.624 -9.756 1.00 0.28 H new ATOM 0 HA ASN A 14 1.263 -3.704 -10.364 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.238 -1.644 -11.764 1.00 0.46 H new ATOM 0 HB3 ASN A 14 2.931 -1.883 -12.148 1.00 0.46 H new ATOM 0 HD21 ASN A 14 2.351 -4.093 -14.805 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.520 -3.221 -13.808 1.00 2.08 H new ATOM 252 N THR A 15 4.192 -4.275 -9.768 1.00 0.33 N ATOM 253 CA THR A 15 5.265 -5.257 -9.766 1.00 0.36 C ATOM 254 C THR A 15 5.347 -5.957 -8.410 1.00 0.33 C ATOM 255 O THR A 15 5.011 -5.374 -7.378 1.00 0.36 O ATOM 256 CB THR A 15 6.626 -4.607 -10.111 1.00 0.42 C ATOM 257 OG1 THR A 15 7.653 -5.604 -10.173 1.00 0.48 O ATOM 258 CG2 THR A 15 7.011 -3.550 -9.088 1.00 0.43 C ATOM 0 H THR A 15 4.210 -3.625 -8.982 1.00 0.33 H new ATOM 0 HA THR A 15 5.038 -5.996 -10.535 1.00 0.36 H new ATOM 0 HB THR A 15 6.523 -4.127 -11.084 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.508 -5.179 -10.394 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.972 -3.113 -9.360 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.250 -2.769 -9.067 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.087 -4.009 -8.102 1.00 0.43 H new ATOM 266 N ARG A 16 5.767 -7.217 -8.419 1.00 0.32 N ATOM 267 CA ARG A 16 5.890 -7.994 -7.192 1.00 0.31 C ATOM 268 C ARG A 16 7.100 -7.555 -6.387 1.00 0.33 C ATOM 269 O ARG A 16 7.094 -7.613 -5.157 1.00 0.45 O ATOM 270 CB ARG A 16 5.986 -9.487 -7.504 1.00 0.36 C ATOM 271 CG ARG A 16 4.653 -10.114 -7.849 1.00 0.45 C ATOM 272 CD ARG A 16 3.728 -10.086 -6.649 1.00 0.38 C ATOM 273 NE ARG A 16 4.190 -10.958 -5.575 1.00 0.32 N ATOM 274 CZ ARG A 16 4.250 -10.603 -4.292 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.940 -9.363 -3.916 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.632 -11.489 -3.388 1.00 0.51 N ATOM 0 H ARG A 16 6.029 -7.723 -9.265 1.00 0.32 H new ATOM 0 HA ARG A 16 4.995 -7.815 -6.597 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.675 -9.633 -8.336 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.411 -10.004 -6.644 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.196 -9.577 -8.681 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.802 -11.143 -8.177 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.650 -9.065 -6.277 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.728 -10.391 -6.957 1.00 0.38 H new ATOM 0 HE ARG A 16 4.487 -11.902 -5.822 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.654 -8.675 -4.613 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.989 -9.101 -2.931 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.878 -12.436 -3.675 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.681 -11.225 -2.404 1.00 0.51 H new ATOM 290 N ASP A 17 8.136 -7.119 -7.078 1.00 0.37 N ATOM 291 CA ASP A 17 9.342 -6.662 -6.414 1.00 0.42 C ATOM 292 C ASP A 17 9.572 -5.197 -6.747 1.00 0.36 C ATOM 293 O ASP A 17 10.239 -4.867 -7.728 1.00 0.46 O ATOM 294 CB ASP A 17 10.543 -7.510 -6.842 1.00 0.60 C ATOM 295 CG ASP A 17 11.695 -7.439 -5.859 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.520 -6.507 -5.957 1.00 1.40 O ATOM 297 OD2 ASP A 17 11.787 -8.332 -4.991 1.00 1.94 O ATOM 0 H ASP A 17 8.167 -7.072 -8.096 1.00 0.37 H new ATOM 0 HA ASP A 17 9.224 -6.769 -5.336 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.228 -8.548 -6.951 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.886 -7.177 -7.821 1.00 0.60 H new ATOM 302 N VAL A 18 8.965 -4.322 -5.959 1.00 0.31 N ATOM 303 CA VAL A 18 9.054 -2.889 -6.196 1.00 0.29 C ATOM 304 C VAL A 18 10.443 -2.362 -5.838 1.00 0.29 C ATOM 305 O VAL A 18 11.035 -2.767 -4.837 1.00 0.35 O ATOM 306 CB VAL A 18 7.946 -2.108 -5.429 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.811 -2.576 -3.987 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.207 -0.609 -5.475 1.00 0.58 C ATOM 0 H VAL A 18 8.404 -4.580 -5.147 1.00 0.31 H new ATOM 0 HA VAL A 18 8.891 -2.723 -7.261 1.00 0.29 H new ATOM 0 HB VAL A 18 7.003 -2.317 -5.934 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.027 -2.004 -3.491 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.553 -3.635 -3.971 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.756 -2.425 -3.465 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.420 -0.086 -4.932 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.171 -0.393 -5.014 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.218 -0.273 -6.512 1.00 0.58 H new ATOM 318 N ASP A 19 10.979 -1.486 -6.687 1.00 0.34 N ATOM 319 CA ASP A 19 12.278 -0.882 -6.463 1.00 0.41 C ATOM 320 C ASP A 19 12.209 0.149 -5.346 1.00 0.39 C ATOM 321 O ASP A 19 12.131 1.356 -5.596 1.00 0.46 O ATOM 322 CB ASP A 19 12.771 -0.226 -7.749 1.00 0.58 C ATOM 323 CG ASP A 19 13.112 -1.221 -8.840 1.00 1.11 C ATOM 324 OD1 ASP A 19 12.202 -1.630 -9.591 1.00 1.91 O ATOM 325 OD2 ASP A 19 14.291 -1.618 -8.943 1.00 1.28 O ATOM 0 H ASP A 19 10.521 -1.180 -7.545 1.00 0.34 H new ATOM 0 HA ASP A 19 12.977 -1.664 -6.165 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.005 0.457 -8.117 1.00 0.58 H new ATOM 0 HB3 ASP A 19 13.653 0.375 -7.527 1.00 0.58 H new ATOM 330 N CYS A 20 12.205 -0.344 -4.118 1.00 0.38 N ATOM 331 CA CYS A 20 12.039 0.489 -2.937 1.00 0.40 C ATOM 332 C CYS A 20 13.004 1.670 -2.905 1.00 0.38 C ATOM 333 O CYS A 20 12.572 2.812 -2.901 1.00 0.39 O ATOM 334 CB CYS A 20 12.205 -0.351 -1.681 1.00 0.51 C ATOM 335 SG CYS A 20 11.315 -1.933 -1.746 1.00 0.93 S ATOM 0 H CYS A 20 12.317 -1.336 -3.911 1.00 0.38 H new ATOM 0 HA CYS A 20 11.031 0.902 -2.979 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.265 -0.546 -1.521 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.853 0.220 -0.822 1.00 0.51 H new ATOM 340 N ASP A 21 14.307 1.404 -2.917 1.00 0.47 N ATOM 341 CA ASP A 21 15.303 2.460 -2.697 1.00 0.59 C ATOM 342 C ASP A 21 15.379 3.434 -3.873 1.00 0.53 C ATOM 343 O ASP A 21 16.139 4.400 -3.842 1.00 0.64 O ATOM 344 CB ASP A 21 16.685 1.864 -2.401 1.00 0.85 C ATOM 345 CG ASP A 21 17.259 1.080 -3.561 1.00 1.36 C ATOM 346 OD1 ASP A 21 16.659 0.056 -3.938 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.329 1.466 -4.078 1.00 1.66 O ATOM 0 H ASP A 21 14.700 0.476 -3.075 1.00 0.47 H new ATOM 0 HA ASP A 21 14.976 3.026 -1.825 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.372 2.669 -2.140 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.613 1.212 -1.531 1.00 0.85 H new ATOM 352 N ASN A 22 14.577 3.195 -4.901 1.00 0.50 N ATOM 353 CA ASN A 22 14.474 4.128 -6.015 1.00 0.49 C ATOM 354 C ASN A 22 13.187 4.922 -5.902 1.00 0.42 C ATOM 355 O ASN A 22 13.185 6.149 -5.974 1.00 0.43 O ATOM 356 CB ASN A 22 14.498 3.391 -7.357 1.00 0.59 C ATOM 357 CG ASN A 22 14.587 4.342 -8.538 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.202 5.404 -8.451 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.975 3.968 -9.651 1.00 1.14 N ATOM 0 H ASN A 22 13.990 2.366 -4.987 1.00 0.50 H new ATOM 0 HA ASN A 22 15.331 4.800 -5.973 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.348 2.709 -7.379 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.598 2.783 -7.451 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.004 4.568 -10.475 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.475 3.080 -9.684 1.00 1.14 H new ATOM 366 N ILE A 23 12.094 4.210 -5.711 1.00 0.40 N ATOM 367 CA ILE A 23 10.788 4.835 -5.595 1.00 0.38 C ATOM 368 C ILE A 23 10.654 5.598 -4.274 1.00 0.33 C ATOM 369 O ILE A 23 10.091 6.690 -4.237 1.00 0.34 O ATOM 370 CB ILE A 23 9.664 3.781 -5.746 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.691 3.216 -7.173 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.295 4.370 -5.424 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.601 2.210 -7.460 1.00 0.48 C ATOM 0 H ILE A 23 12.083 3.193 -5.632 1.00 0.40 H new ATOM 0 HA ILE A 23 10.687 5.558 -6.404 1.00 0.38 H new ATOM 0 HB ILE A 23 9.841 2.977 -5.032 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.604 4.041 -7.880 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.659 2.746 -7.348 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.531 3.601 -5.541 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.288 4.735 -4.397 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.085 5.196 -6.104 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.691 1.860 -8.488 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.698 1.364 -6.779 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.627 2.679 -7.320 1.00 0.48 H new ATOM 385 N LEU A 24 11.224 5.050 -3.204 1.00 0.30 N ATOM 386 CA LEU A 24 11.101 5.658 -1.881 1.00 0.29 C ATOM 387 C LEU A 24 12.040 6.847 -1.719 1.00 0.32 C ATOM 388 O LEU A 24 11.865 7.658 -0.810 1.00 0.33 O ATOM 389 CB LEU A 24 11.389 4.649 -0.759 1.00 0.31 C ATOM 390 CG LEU A 24 10.601 3.333 -0.799 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.867 2.517 0.454 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.117 3.584 -0.940 1.00 1.01 C ATOM 0 H LEU A 24 11.773 4.191 -3.226 1.00 0.30 H new ATOM 0 HA LEU A 24 10.069 5.998 -1.801 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.452 4.410 -0.780 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.191 5.136 0.196 1.00 0.31 H new ATOM 0 HG LEU A 24 10.938 2.773 -1.671 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.300 1.587 0.410 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.931 2.291 0.522 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.561 3.087 1.331 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.588 2.631 -0.965 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.765 4.172 -0.092 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.926 4.130 -1.864 1.00 1.01 H new ATOM 404 N SER A 25 13.030 6.965 -2.594 1.00 0.36 N ATOM 405 CA SER A 25 14.015 8.031 -2.454 1.00 0.41 C ATOM 406 C SER A 25 13.526 9.325 -3.104 1.00 0.42 C ATOM 407 O SER A 25 14.221 10.343 -3.085 1.00 0.49 O ATOM 408 CB SER A 25 15.368 7.599 -3.027 1.00 0.50 C ATOM 409 OG SER A 25 15.224 6.992 -4.298 1.00 1.28 O ATOM 0 H SER A 25 13.172 6.349 -3.394 1.00 0.36 H new ATOM 0 HA SER A 25 14.148 8.229 -1.390 1.00 0.41 H new ATOM 0 HB2 SER A 25 16.023 8.466 -3.109 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.848 6.901 -2.342 1.00 0.50 H new ATOM 0 HG SER A 25 15.539 6.065 -4.255 1.00 1.28 H new ATOM 415 N THR A 26 12.322 9.284 -3.665 1.00 0.41 N ATOM 416 CA THR A 26 11.695 10.478 -4.214 1.00 0.46 C ATOM 417 C THR A 26 11.043 11.281 -3.094 1.00 0.45 C ATOM 418 O THR A 26 11.011 10.834 -1.950 1.00 0.45 O ATOM 419 CB THR A 26 10.625 10.119 -5.261 1.00 0.49 C ATOM 420 OG1 THR A 26 9.602 9.317 -4.655 1.00 0.44 O ATOM 421 CG2 THR A 26 11.240 9.372 -6.434 1.00 0.56 C ATOM 0 H THR A 26 11.762 8.436 -3.751 1.00 0.41 H new ATOM 0 HA THR A 26 12.472 11.069 -4.699 1.00 0.46 H new ATOM 0 HB THR A 26 10.188 11.044 -5.636 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.912 8.390 -4.583 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.463 9.130 -7.159 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.996 9.998 -6.908 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.702 8.452 -6.077 1.00 0.56 H new ATOM 429 N ASN A 27 10.502 12.449 -3.420 1.00 0.49 N ATOM 430 CA ASN A 27 9.850 13.303 -2.423 1.00 0.52 C ATOM 431 C ASN A 27 8.553 12.653 -1.935 1.00 0.52 C ATOM 432 O ASN A 27 8.009 13.023 -0.894 1.00 0.67 O ATOM 433 CB ASN A 27 9.558 14.686 -3.027 1.00 0.61 C ATOM 434 CG ASN A 27 9.451 15.806 -1.994 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.799 16.951 -2.279 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.957 15.502 -0.804 1.00 1.53 N ATOM 0 H ASN A 27 10.500 12.830 -4.366 1.00 0.49 H new ATOM 0 HA ASN A 27 10.519 13.424 -1.571 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.347 14.935 -3.737 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.626 14.635 -3.591 1.00 0.61 H new ATOM 0 HD21 ASN A 27 8.856 16.227 -0.093 1.00 1.53 H new ATOM 0 HD22 ASN A 27 8.677 14.543 -0.598 1.00 1.53 H new ATOM 443 N LEU A 28 8.083 11.661 -2.678 1.00 0.48 N ATOM 444 CA LEU A 28 6.838 10.974 -2.358 1.00 0.47 C ATOM 445 C LEU A 28 6.979 10.140 -1.079 1.00 0.45 C ATOM 446 O LEU A 28 5.986 9.792 -0.436 1.00 0.52 O ATOM 447 CB LEU A 28 6.425 10.088 -3.540 1.00 0.47 C ATOM 448 CG LEU A 28 5.092 9.349 -3.389 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.940 10.326 -3.226 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.854 8.448 -4.588 1.00 0.51 C ATOM 0 H LEU A 28 8.550 11.311 -3.515 1.00 0.48 H new ATOM 0 HA LEU A 28 6.063 11.719 -2.179 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.375 10.709 -4.434 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.210 9.351 -3.708 1.00 0.47 H new ATOM 0 HG LEU A 28 5.143 8.736 -2.489 1.00 0.49 H new ATOM 0 HD11 LEU A 28 3.006 9.773 -3.121 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.103 10.936 -2.337 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.883 10.971 -4.103 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.903 7.928 -4.469 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.827 9.050 -5.496 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.660 7.718 -4.660 1.00 0.51 H new ATOM 462 N PHE A 29 8.216 9.837 -0.702 1.00 0.42 N ATOM 463 CA PHE A 29 8.475 9.029 0.485 1.00 0.40 C ATOM 464 C PHE A 29 9.637 9.616 1.273 1.00 0.42 C ATOM 465 O PHE A 29 9.758 9.382 2.473 1.00 0.48 O ATOM 466 CB PHE A 29 8.794 7.581 0.105 1.00 0.36 C ATOM 467 CG PHE A 29 7.719 6.901 -0.697 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.598 6.376 -0.077 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.833 6.785 -2.072 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.613 5.747 -0.811 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.852 6.155 -2.811 1.00 0.39 C ATOM 472 CZ PHE A 29 5.739 5.637 -2.181 1.00 0.42 C ATOM 0 H PHE A 29 9.054 10.138 -1.200 1.00 0.42 H new ATOM 0 HA PHE A 29 7.576 9.036 1.101 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.723 7.563 -0.465 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.969 7.009 1.016 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.493 6.460 0.995 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.699 7.192 -2.572 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.744 5.341 -0.314 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.956 6.068 -3.882 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.969 5.147 -2.758 1.00 0.42 H new ATOM 482 N HIS A 30 10.477 10.377 0.566 1.00 0.43 N ATOM 483 CA HIS A 30 11.660 11.044 1.120 1.00 0.52 C ATOM 484 C HIS A 30 12.484 10.109 2.003 1.00 0.45 C ATOM 485 O HIS A 30 12.975 10.497 3.060 1.00 0.48 O ATOM 486 CB HIS A 30 11.292 12.353 1.847 1.00 0.70 C ATOM 487 CG HIS A 30 10.424 12.216 3.062 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.918 11.965 4.324 1.00 1.78 N ATOM 489 CD2 HIS A 30 9.085 12.320 3.200 1.00 2.07 C ATOM 490 CE1 HIS A 30 9.920 11.921 5.184 1.00 2.74 C ATOM 491 NE2 HIS A 30 8.796 12.134 4.530 1.00 2.97 N ATOM 0 H HIS A 30 10.351 10.551 -0.431 1.00 0.43 H new ATOM 0 HA HIS A 30 12.295 11.317 0.277 1.00 0.52 H new ATOM 0 HB2 HIS A 30 12.215 12.853 2.141 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.787 13.008 1.137 1.00 0.70 H new ATOM 0 HD1 HIS A 30 11.902 11.834 4.556 1.00 1.78 H new ATOM 0 HD2 HIS A 30 8.373 12.514 2.411 1.00 2.07 H new ATOM 0 HE1 HIS A 30 10.009 11.741 6.245 1.00 2.74 H new ATOM 500 N CYS A 31 12.660 8.883 1.517 1.00 0.44 N ATOM 501 CA CYS A 31 13.377 7.839 2.240 1.00 0.45 C ATOM 502 C CYS A 31 12.726 7.573 3.597 1.00 0.40 C ATOM 503 O CYS A 31 13.313 7.836 4.647 1.00 0.47 O ATOM 504 CB CYS A 31 14.861 8.192 2.413 1.00 0.62 C ATOM 505 SG CYS A 31 15.720 8.600 0.856 1.00 1.10 S ATOM 0 H CYS A 31 12.308 8.586 0.607 1.00 0.44 H new ATOM 0 HA CYS A 31 13.319 6.928 1.644 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.944 9.039 3.093 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.370 7.352 2.886 1.00 0.62 H new ATOM 510 N LYS A 32 11.491 7.082 3.562 1.00 0.39 N ATOM 511 CA LYS A 32 10.801 6.668 4.774 1.00 0.43 C ATOM 512 C LYS A 32 11.353 5.323 5.235 1.00 0.45 C ATOM 513 O LYS A 32 11.809 4.529 4.413 1.00 0.55 O ATOM 514 CB LYS A 32 9.289 6.577 4.531 1.00 0.50 C ATOM 515 CG LYS A 32 8.858 5.378 3.699 1.00 0.53 C ATOM 516 CD LYS A 32 7.433 5.535 3.195 1.00 0.90 C ATOM 517 CE LYS A 32 6.437 5.660 4.333 1.00 2.05 C ATOM 518 NZ LYS A 32 5.046 5.800 3.837 1.00 2.72 N ATOM 0 H LYS A 32 10.949 6.962 2.706 1.00 0.39 H new ATOM 0 HA LYS A 32 10.970 7.411 5.554 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.780 6.538 5.494 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.958 7.488 4.032 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.534 5.259 2.852 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.936 4.471 4.298 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.369 6.418 2.559 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.171 4.677 2.577 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.507 4.782 4.975 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.693 6.524 4.946 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.380 5.629 4.617 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.905 6.761 3.466 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.876 5.108 3.079 1.00 2.72 H new ATOM 532 N ASP A 33 11.308 5.076 6.539 1.00 0.49 N ATOM 533 CA ASP A 33 11.896 3.868 7.120 1.00 0.54 C ATOM 534 C ASP A 33 11.327 2.604 6.487 1.00 0.48 C ATOM 535 O ASP A 33 12.068 1.665 6.190 1.00 0.51 O ATOM 536 CB ASP A 33 11.677 3.837 8.633 1.00 0.66 C ATOM 537 CG ASP A 33 12.353 4.995 9.337 1.00 1.28 C ATOM 538 OD1 ASP A 33 11.743 6.078 9.442 1.00 2.06 O ATOM 539 OD2 ASP A 33 13.503 4.829 9.791 1.00 1.57 O ATOM 0 H ASP A 33 10.869 5.697 7.219 1.00 0.49 H new ATOM 0 HA ASP A 33 12.966 3.897 6.914 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.608 3.861 8.843 1.00 0.66 H new ATOM 0 HB3 ASP A 33 12.059 2.898 9.034 1.00 0.66 H new ATOM 544 N LYS A 34 10.015 2.574 6.284 1.00 0.44 N ATOM 545 CA LYS A 34 9.379 1.441 5.628 1.00 0.41 C ATOM 546 C LYS A 34 8.059 1.845 4.979 1.00 0.38 C ATOM 547 O LYS A 34 7.400 2.789 5.416 1.00 0.43 O ATOM 548 CB LYS A 34 9.175 0.283 6.622 1.00 0.48 C ATOM 549 CG LYS A 34 8.337 0.633 7.845 1.00 0.95 C ATOM 550 CD LYS A 34 6.866 0.295 7.647 1.00 1.27 C ATOM 551 CE LYS A 34 6.656 -1.203 7.495 1.00 1.96 C ATOM 552 NZ LYS A 34 5.219 -1.555 7.344 1.00 2.60 N ATOM 0 H LYS A 34 9.375 3.318 6.563 1.00 0.44 H new ATOM 0 HA LYS A 34 10.042 1.097 4.835 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.700 -0.547 6.099 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.152 -0.067 6.956 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.719 0.094 8.712 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.438 1.697 8.061 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.290 0.660 8.497 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.489 0.808 6.762 1.00 1.27 H new ATOM 0 HE2 LYS A 34 7.209 -1.560 6.626 1.00 1.96 H new ATOM 0 HE3 LYS A 34 7.065 -1.716 8.366 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.011 -2.410 7.898 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.631 -0.769 7.687 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 5.009 -1.732 6.341 1.00 2.60 H new ATOM 566 N ASN A 35 7.690 1.131 3.926 1.00 0.37 N ATOM 567 CA ASN A 35 6.448 1.390 3.208 1.00 0.36 C ATOM 568 C ASN A 35 5.919 0.100 2.602 1.00 0.34 C ATOM 569 O ASN A 35 6.651 -0.618 1.926 1.00 0.38 O ATOM 570 CB ASN A 35 6.660 2.421 2.100 1.00 0.36 C ATOM 571 CG ASN A 35 5.351 2.890 1.492 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.719 3.822 1.990 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.940 2.254 0.410 1.00 0.35 N ATOM 0 H ASN A 35 8.239 0.360 3.546 1.00 0.37 H new ATOM 0 HA ASN A 35 5.723 1.786 3.919 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.199 3.279 2.503 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.286 1.989 1.320 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.070 2.530 -0.044 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.493 1.486 0.029 1.00 0.35 H new ATOM 580 N THR A 36 4.654 -0.187 2.839 1.00 0.32 N ATOM 581 CA THR A 36 4.050 -1.416 2.349 1.00 0.30 C ATOM 582 C THR A 36 3.278 -1.171 1.051 1.00 0.26 C ATOM 583 O THR A 36 2.316 -0.395 1.024 1.00 0.28 O ATOM 584 CB THR A 36 3.106 -2.006 3.412 1.00 0.36 C ATOM 585 OG1 THR A 36 3.747 -1.967 4.699 1.00 0.45 O ATOM 586 CG2 THR A 36 2.724 -3.442 3.075 1.00 0.37 C ATOM 0 H THR A 36 4.022 0.413 3.368 1.00 0.32 H new ATOM 0 HA THR A 36 4.852 -2.126 2.145 1.00 0.30 H new ATOM 0 HB THR A 36 2.196 -1.407 3.431 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.483 -2.613 4.717 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.057 -3.831 3.844 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.218 -3.467 2.110 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.623 -4.057 3.030 1.00 0.37 H new ATOM 594 N PHE A 37 3.716 -1.816 -0.025 1.00 0.21 N ATOM 595 CA PHE A 37 3.048 -1.707 -1.315 1.00 0.18 C ATOM 596 C PHE A 37 2.163 -2.923 -1.559 1.00 0.18 C ATOM 597 O PHE A 37 2.360 -3.982 -0.958 1.00 0.21 O ATOM 598 CB PHE A 37 4.061 -1.590 -2.460 1.00 0.17 C ATOM 599 CG PHE A 37 4.944 -0.376 -2.407 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.105 -0.387 -1.652 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.631 0.765 -3.132 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.936 0.712 -1.620 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.458 1.869 -3.097 1.00 0.20 C ATOM 604 CZ PHE A 37 6.613 1.838 -2.344 1.00 0.20 C ATOM 0 H PHE A 37 4.536 -2.423 -0.028 1.00 0.21 H new ATOM 0 HA PHE A 37 2.438 -0.804 -1.291 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.691 -2.479 -2.459 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.519 -1.585 -3.405 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.362 -1.267 -1.082 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.732 0.789 -3.729 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.839 0.690 -1.028 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.201 2.755 -3.658 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.265 2.698 -2.322 1.00 0.20 H new ATOM 614 N ILE A 38 1.199 -2.756 -2.444 1.00 0.18 N ATOM 615 CA ILE A 38 0.254 -3.803 -2.786 1.00 0.17 C ATOM 616 C ILE A 38 0.333 -4.117 -4.276 1.00 0.17 C ATOM 617 O ILE A 38 0.115 -3.237 -5.114 1.00 0.18 O ATOM 618 CB ILE A 38 -1.188 -3.363 -2.442 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.275 -2.943 -0.970 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.186 -4.477 -2.744 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.558 -2.227 -0.617 1.00 0.22 C ATOM 0 H ILE A 38 1.048 -1.883 -2.950 1.00 0.18 H new ATOM 0 HA ILE A 38 0.509 -4.692 -2.209 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.444 -2.507 -3.066 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.179 -3.829 -0.342 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.431 -2.294 -0.736 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.192 -4.142 -2.493 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.141 -4.729 -3.804 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.939 -5.358 -2.151 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.547 -1.961 0.440 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.647 -1.322 -1.218 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.407 -2.881 -0.818 1.00 0.22 H new ATOM 633 N TYR A 39 0.665 -5.358 -4.608 1.00 0.16 N ATOM 634 CA TYR A 39 0.640 -5.795 -5.992 1.00 0.17 C ATOM 635 C TYR A 39 -0.782 -6.169 -6.372 1.00 0.18 C ATOM 636 O TYR A 39 -1.221 -7.305 -6.180 1.00 0.18 O ATOM 637 CB TYR A 39 1.590 -6.973 -6.234 1.00 0.20 C ATOM 638 CG TYR A 39 1.467 -7.580 -7.622 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.005 -6.936 -8.731 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.829 -8.797 -7.821 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.913 -7.487 -9.994 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.731 -9.354 -9.083 1.00 0.34 C ATOM 643 CZ TYR A 39 1.211 -8.689 -10.164 1.00 0.35 C ATOM 644 OH TYR A 39 1.183 -9.250 -11.425 1.00 0.40 O ATOM 0 H TYR A 39 0.953 -6.074 -3.940 1.00 0.16 H new ATOM 0 HA TYR A 39 0.984 -4.973 -6.620 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.616 -6.638 -6.083 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.394 -7.745 -5.490 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.504 -5.987 -8.602 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.402 -9.317 -6.976 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.375 -6.999 -10.839 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.270 -10.323 -9.209 1.00 0.34 H new ATOM 0 HH TYR A 39 0.664 -10.081 -11.402 1.00 0.40 H new ATOM 654 N SER A 40 -1.500 -5.181 -6.862 1.00 0.23 N ATOM 655 CA SER A 40 -2.883 -5.328 -7.274 1.00 0.26 C ATOM 656 C SER A 40 -3.282 -4.081 -8.034 1.00 0.29 C ATOM 657 O SER A 40 -2.657 -3.034 -7.870 1.00 0.50 O ATOM 658 CB SER A 40 -3.808 -5.515 -6.060 1.00 0.25 C ATOM 659 OG SER A 40 -3.642 -6.790 -5.463 1.00 0.93 O ATOM 0 H SER A 40 -1.135 -4.237 -6.988 1.00 0.23 H new ATOM 0 HA SER A 40 -2.980 -6.213 -7.903 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.602 -4.739 -5.323 1.00 0.25 H new ATOM 0 HB3 SER A 40 -4.845 -5.392 -6.371 1.00 0.25 H new ATOM 0 HG SER A 40 -2.934 -7.280 -5.930 1.00 0.93 H new ATOM 665 N ARG A 41 -4.294 -4.178 -8.874 1.00 0.25 N ATOM 666 CA ARG A 41 -4.756 -3.002 -9.584 1.00 0.27 C ATOM 667 C ARG A 41 -5.505 -2.102 -8.622 1.00 0.22 C ATOM 668 O ARG A 41 -6.078 -2.576 -7.641 1.00 0.23 O ATOM 669 CB ARG A 41 -5.643 -3.363 -10.776 1.00 0.33 C ATOM 670 CG ARG A 41 -4.991 -4.312 -11.757 1.00 0.54 C ATOM 671 CD ARG A 41 -3.573 -3.876 -12.090 1.00 1.08 C ATOM 672 NE ARG A 41 -2.940 -4.781 -13.036 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.553 -6.025 -12.737 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.663 -6.481 -11.491 1.00 2.92 N ATOM 675 NH2 ARG A 41 -2.043 -6.808 -13.676 1.00 2.66 N ATOM 0 H ARG A 41 -4.802 -5.038 -9.079 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.886 -2.480 -9.981 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.565 -3.813 -10.408 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.922 -2.449 -11.300 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.975 -5.318 -11.337 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.584 -4.357 -12.671 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.590 -2.869 -12.506 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.981 -3.833 -11.176 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.782 -4.446 -13.986 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -3.044 -5.880 -10.760 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -2.366 -7.431 -11.268 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.945 -6.462 -14.631 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -1.749 -7.757 -13.444 1.00 2.66 H new ATOM 689 N PRO A 42 -5.517 -0.797 -8.890 1.00 0.22 N ATOM 690 CA PRO A 42 -6.164 0.168 -8.010 1.00 0.21 C ATOM 691 C PRO A 42 -7.658 -0.105 -7.882 1.00 0.20 C ATOM 692 O PRO A 42 -8.239 0.078 -6.821 1.00 0.23 O ATOM 693 CB PRO A 42 -5.907 1.524 -8.676 1.00 0.24 C ATOM 694 CG PRO A 42 -5.477 1.223 -10.074 1.00 0.25 C ATOM 695 CD PRO A 42 -4.918 -0.174 -10.080 1.00 0.30 C ATOM 0 HA PRO A 42 -5.772 0.122 -6.994 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.807 2.139 -8.669 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.137 2.081 -8.142 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.320 1.302 -10.761 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.726 1.939 -10.407 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -5.188 -0.709 -10.990 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.829 -0.169 -10.024 1.00 0.30 H new ATOM 703 N GLU A 43 -8.263 -0.601 -8.950 1.00 0.21 N ATOM 704 CA GLU A 43 -9.698 -0.833 -8.965 1.00 0.25 C ATOM 705 C GLU A 43 -10.098 -1.988 -8.035 1.00 0.23 C ATOM 706 O GLU A 43 -10.981 -1.817 -7.204 1.00 0.24 O ATOM 707 CB GLU A 43 -10.176 -1.076 -10.390 1.00 0.36 C ATOM 708 CG GLU A 43 -10.038 0.149 -11.278 1.00 0.48 C ATOM 709 CD GLU A 43 -10.454 -0.119 -12.704 1.00 1.60 C ATOM 710 OE1 GLU A 43 -9.647 -0.702 -13.459 1.00 2.36 O ATOM 711 OE2 GLU A 43 -11.583 0.255 -13.075 1.00 1.99 O ATOM 0 H GLU A 43 -7.784 -0.850 -9.815 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.189 0.062 -8.584 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.607 -1.898 -10.823 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.220 -1.387 -10.369 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.645 0.958 -10.872 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -9.003 0.489 -11.263 1.00 0.48 H new ATOM 718 N PRO A 44 -9.472 -3.180 -8.159 1.00 0.24 N ATOM 719 CA PRO A 44 -9.684 -4.282 -7.224 1.00 0.26 C ATOM 720 C PRO A 44 -9.469 -3.891 -5.758 1.00 0.24 C ATOM 721 O PRO A 44 -10.086 -4.463 -4.860 1.00 0.27 O ATOM 722 CB PRO A 44 -8.657 -5.319 -7.618 1.00 0.30 C ATOM 723 CG PRO A 44 -8.269 -5.012 -9.015 1.00 0.36 C ATOM 724 CD PRO A 44 -8.571 -3.564 -9.245 1.00 0.27 C ATOM 0 HA PRO A 44 -10.716 -4.628 -7.284 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -7.791 -5.280 -6.957 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.071 -6.324 -7.542 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.210 -5.215 -9.175 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -8.823 -5.637 -9.715 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.660 -2.965 -9.231 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -9.039 -3.409 -10.217 1.00 0.27 H new ATOM 732 N VAL A 45 -8.606 -2.911 -5.521 1.00 0.20 N ATOM 733 CA VAL A 45 -8.314 -2.469 -4.163 1.00 0.19 C ATOM 734 C VAL A 45 -9.318 -1.405 -3.740 1.00 0.17 C ATOM 735 O VAL A 45 -9.706 -1.322 -2.574 1.00 0.18 O ATOM 736 CB VAL A 45 -6.871 -1.921 -4.045 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.604 -1.364 -2.654 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.861 -3.007 -4.387 1.00 0.23 C ATOM 0 H VAL A 45 -8.098 -2.409 -6.249 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.397 -3.330 -3.500 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.763 -1.104 -4.759 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.583 -0.987 -2.603 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.301 -0.552 -2.447 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.737 -2.154 -1.914 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.851 -2.606 -4.299 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.980 -3.844 -3.699 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.028 -3.350 -5.408 1.00 0.23 H new ATOM 748 N LYS A 46 -9.766 -0.615 -4.701 1.00 0.15 N ATOM 749 CA LYS A 46 -10.840 0.332 -4.465 1.00 0.15 C ATOM 750 C LYS A 46 -12.141 -0.436 -4.257 1.00 0.17 C ATOM 751 O LYS A 46 -13.050 0.019 -3.564 1.00 0.20 O ATOM 752 CB LYS A 46 -10.973 1.282 -5.652 1.00 0.17 C ATOM 753 CG LYS A 46 -11.827 2.501 -5.369 1.00 0.20 C ATOM 754 CD LYS A 46 -12.001 3.339 -6.617 1.00 0.27 C ATOM 755 CE LYS A 46 -12.805 4.595 -6.339 1.00 0.37 C ATOM 756 NZ LYS A 46 -13.324 5.209 -7.589 1.00 1.36 N ATOM 0 H LYS A 46 -9.401 -0.612 -5.653 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.619 0.922 -3.576 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.979 1.609 -5.956 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.401 0.738 -6.494 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.803 2.188 -4.997 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.364 3.100 -4.585 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -11.022 3.613 -7.011 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.501 2.749 -7.385 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.639 4.354 -5.680 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.181 5.317 -5.812 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.868 6.064 -7.356 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -12.528 5.463 -8.208 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.941 4.530 -8.079 1.00 1.36 H new ATOM 770 N ALA A 47 -12.198 -1.619 -4.861 1.00 0.18 N ATOM 771 CA ALA A 47 -13.338 -2.519 -4.743 1.00 0.22 C ATOM 772 C ALA A 47 -13.517 -2.994 -3.305 1.00 0.22 C ATOM 773 O ALA A 47 -14.615 -3.379 -2.899 1.00 0.27 O ATOM 774 CB ALA A 47 -13.164 -3.709 -5.680 1.00 0.26 C ATOM 0 H ALA A 47 -11.448 -1.982 -5.450 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.237 -1.972 -5.028 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.021 -4.376 -5.584 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.093 -3.355 -6.708 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.254 -4.248 -5.418 1.00 0.26 H new ATOM 780 N ILE A 48 -12.440 -2.962 -2.536 1.00 0.20 N ATOM 781 CA ILE A 48 -12.505 -3.301 -1.125 1.00 0.21 C ATOM 782 C ILE A 48 -13.354 -2.268 -0.392 1.00 0.21 C ATOM 783 O ILE A 48 -14.103 -2.593 0.531 1.00 0.23 O ATOM 784 CB ILE A 48 -11.097 -3.364 -0.500 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.215 -4.312 -1.313 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.175 -3.826 0.947 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.760 -4.288 -0.909 1.00 0.21 C ATOM 0 H ILE A 48 -11.510 -2.704 -2.866 1.00 0.20 H new ATOM 0 HA ILE A 48 -12.960 -4.287 -1.028 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.659 -2.366 -0.516 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.595 -5.328 -1.207 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.294 -4.051 -2.368 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.172 -3.864 1.371 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.785 -3.127 1.520 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.625 -4.818 0.988 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.198 -4.986 -1.530 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.362 -3.282 -1.042 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.668 -4.579 0.137 1.00 0.21 H new ATOM 799 N CYS A 49 -13.269 -1.029 -0.854 1.00 0.20 N ATOM 800 CA CYS A 49 -14.005 0.068 -0.255 1.00 0.21 C ATOM 801 C CYS A 49 -15.262 0.388 -1.058 1.00 0.25 C ATOM 802 O CYS A 49 -15.938 1.385 -0.803 1.00 0.25 O ATOM 803 CB CYS A 49 -13.090 1.284 -0.171 1.00 0.19 C ATOM 804 SG CYS A 49 -11.620 0.992 0.857 1.00 0.18 S ATOM 0 H CYS A 49 -12.691 -0.760 -1.650 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.327 -0.217 0.747 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.775 1.565 -1.176 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.650 2.127 0.235 1.00 0.19 H new ATOM 809 N LYS A 50 -15.578 -0.476 -2.014 1.00 0.32 N ATOM 810 CA LYS A 50 -16.751 -0.304 -2.862 1.00 0.40 C ATOM 811 C LYS A 50 -18.029 -0.288 -2.030 1.00 0.39 C ATOM 812 O LYS A 50 -18.397 -1.289 -1.415 1.00 0.47 O ATOM 813 CB LYS A 50 -16.803 -1.425 -3.905 1.00 0.54 C ATOM 814 CG LYS A 50 -18.086 -1.470 -4.720 1.00 0.68 C ATOM 815 CD LYS A 50 -18.053 -2.601 -5.739 1.00 0.92 C ATOM 816 CE LYS A 50 -17.166 -2.265 -6.926 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.812 -1.284 -7.839 1.00 2.33 N ATOM 0 H LYS A 50 -15.032 -1.312 -2.223 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.674 0.656 -3.373 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -15.959 -1.310 -4.585 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -16.676 -2.382 -3.398 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -18.938 -1.602 -4.054 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.227 -0.519 -5.233 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -17.691 -3.511 -5.261 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.065 -2.806 -6.088 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -16.219 -1.860 -6.569 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.935 -3.177 -7.477 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -17.239 -1.183 -8.701 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.763 -1.620 -8.093 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.886 -0.363 -7.362 1.00 2.33 H new ATOM 831 N GLY A 51 -18.684 0.864 -2.002 1.00 0.36 N ATOM 832 CA GLY A 51 -19.936 0.995 -1.285 1.00 0.38 C ATOM 833 C GLY A 51 -19.760 1.584 0.103 1.00 0.37 C ATOM 834 O GLY A 51 -20.736 1.772 0.829 1.00 0.44 O ATOM 0 H GLY A 51 -18.368 1.715 -2.466 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.614 1.626 -1.859 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.406 0.015 -1.202 1.00 0.38 H new ATOM 838 N ILE A 52 -18.523 1.888 0.475 1.00 0.31 N ATOM 839 CA ILE A 52 -18.249 2.428 1.800 1.00 0.29 C ATOM 840 C ILE A 52 -18.006 3.931 1.721 1.00 0.29 C ATOM 841 O ILE A 52 -16.888 4.375 1.470 1.00 0.27 O ATOM 842 CB ILE A 52 -17.017 1.758 2.447 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.058 0.234 2.265 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.944 2.116 3.923 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.271 -0.432 2.879 1.00 0.33 C ATOM 0 H ILE A 52 -17.700 1.771 -0.116 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.124 2.222 2.417 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.122 2.131 1.948 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.033 0.006 1.199 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.159 -0.198 2.705 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.072 1.639 4.370 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.862 3.197 4.031 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.846 1.769 4.427 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.223 -1.507 2.706 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.289 -0.238 3.951 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.176 -0.031 2.423 1.00 0.33 H new ATOM 857 N ILE A 53 -19.058 4.712 1.921 1.00 0.33 N ATOM 858 CA ILE A 53 -18.958 6.158 1.835 1.00 0.35 C ATOM 859 C ILE A 53 -18.444 6.747 3.149 1.00 0.34 C ATOM 860 O ILE A 53 -17.556 7.603 3.151 1.00 0.35 O ATOM 861 CB ILE A 53 -20.317 6.798 1.462 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.667 6.538 -0.012 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.300 8.299 1.725 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.825 5.080 -0.396 1.00 0.55 C ATOM 0 H ILE A 53 -19.991 4.366 2.144 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.245 6.388 1.044 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.078 6.335 2.090 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.595 7.060 -0.245 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.889 6.978 -0.636 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.266 8.727 1.455 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.105 8.481 2.782 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.517 8.764 1.126 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.071 5.007 -1.455 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.892 4.550 -0.203 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.625 4.633 0.194 1.00 0.55 H new ATOM 876 N ALA A 54 -18.993 6.275 4.260 1.00 0.37 N ATOM 877 CA ALA A 54 -18.575 6.745 5.576 1.00 0.38 C ATOM 878 C ALA A 54 -17.245 6.113 5.971 1.00 0.33 C ATOM 879 O ALA A 54 -17.039 4.922 5.753 1.00 0.32 O ATOM 880 CB ALA A 54 -19.643 6.436 6.613 1.00 0.46 C ATOM 0 H ALA A 54 -19.728 5.568 4.278 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.441 7.826 5.531 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.316 6.793 7.590 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.573 6.934 6.337 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.807 5.359 6.657 1.00 0.46 H new ATOM 886 N SER A 55 -16.354 6.929 6.532 1.00 0.34 N ATOM 887 CA SER A 55 -15.024 6.479 6.940 1.00 0.34 C ATOM 888 C SER A 55 -15.119 5.228 7.816 1.00 0.32 C ATOM 889 O SER A 55 -15.584 5.285 8.959 1.00 0.36 O ATOM 890 CB SER A 55 -14.299 7.601 7.690 1.00 0.41 C ATOM 891 OG SER A 55 -12.908 7.357 7.766 1.00 1.42 O ATOM 0 H SER A 55 -16.532 7.916 6.716 1.00 0.34 H new ATOM 0 HA SER A 55 -14.455 6.225 6.046 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.476 8.551 7.186 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.709 7.692 8.696 1.00 0.41 H new ATOM 0 HG SER A 55 -12.442 7.915 7.109 1.00 1.42 H new ATOM 897 N LYS A 56 -14.695 4.101 7.266 1.00 0.30 N ATOM 898 CA LYS A 56 -14.819 2.821 7.937 1.00 0.31 C ATOM 899 C LYS A 56 -13.599 1.950 7.664 1.00 0.29 C ATOM 900 O LYS A 56 -13.261 1.690 6.510 1.00 0.27 O ATOM 901 CB LYS A 56 -16.085 2.115 7.447 1.00 0.34 C ATOM 902 CG LYS A 56 -16.328 0.748 8.061 1.00 0.40 C ATOM 903 CD LYS A 56 -17.466 0.033 7.351 1.00 0.51 C ATOM 904 CE LYS A 56 -17.703 -1.357 7.916 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.684 -2.124 7.103 1.00 1.71 N ATOM 0 H LYS A 56 -14.257 4.050 6.346 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.885 2.989 9.012 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.944 2.751 7.659 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.028 2.007 6.364 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.420 0.149 7.997 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.565 0.856 9.119 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.378 0.622 7.443 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.240 -0.041 6.287 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -16.759 -1.900 7.953 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -18.065 -1.276 8.941 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.819 -3.067 7.520 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.593 -1.619 7.088 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.327 -2.223 6.131 1.00 1.71 H new ATOM 919 N ASN A 57 -12.931 1.520 8.726 1.00 0.36 N ATOM 920 CA ASN A 57 -11.828 0.573 8.594 1.00 0.37 C ATOM 921 C ASN A 57 -12.370 -0.801 8.230 1.00 0.33 C ATOM 922 O ASN A 57 -13.135 -1.392 8.997 1.00 0.41 O ATOM 923 CB ASN A 57 -11.027 0.460 9.897 1.00 0.50 C ATOM 924 CG ASN A 57 -10.327 1.745 10.290 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.968 2.562 9.441 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.113 1.922 11.586 1.00 1.13 N ATOM 0 H ASN A 57 -13.131 1.809 9.684 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.167 0.941 7.809 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.698 0.161 10.702 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.285 -0.331 9.790 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.634 2.761 11.914 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.427 1.219 12.255 1.00 1.13 H new ATOM 933 N VAL A 58 -11.996 -1.302 7.064 1.00 0.28 N ATOM 934 CA VAL A 58 -12.443 -2.618 6.640 1.00 0.27 C ATOM 935 C VAL A 58 -11.248 -3.539 6.402 1.00 0.25 C ATOM 936 O VAL A 58 -10.247 -3.147 5.794 1.00 0.25 O ATOM 937 CB VAL A 58 -13.327 -2.563 5.369 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.411 -1.506 5.502 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.496 -2.332 4.120 1.00 0.57 C ATOM 0 H VAL A 58 -11.389 -0.822 6.399 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.056 -3.017 7.448 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.811 -3.534 5.267 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.016 -1.489 4.596 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.045 -1.740 6.357 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.950 -0.529 5.649 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.150 -2.299 3.249 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.962 -1.386 4.208 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.779 -3.145 4.005 1.00 0.57 H new ATOM 949 N LEU A 59 -11.341 -4.747 6.926 1.00 0.28 N ATOM 950 CA LEU A 59 -10.306 -5.744 6.757 1.00 0.26 C ATOM 951 C LEU A 59 -10.678 -6.644 5.582 1.00 0.26 C ATOM 952 O LEU A 59 -11.834 -7.047 5.448 1.00 0.30 O ATOM 953 CB LEU A 59 -10.158 -6.532 8.068 1.00 0.30 C ATOM 954 CG LEU A 59 -8.909 -7.406 8.210 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.119 -8.763 7.583 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.702 -6.724 7.598 1.00 0.67 C ATOM 0 H LEU A 59 -12.137 -5.062 7.480 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.344 -5.283 6.534 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.172 -5.822 8.895 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.034 -7.170 8.182 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.724 -7.548 9.275 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.215 -9.361 7.699 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.953 -9.265 8.074 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.341 -8.643 6.523 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.827 -7.364 7.711 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.885 -6.543 6.539 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.525 -5.775 8.104 1.00 0.67 H new ATOM 968 N THR A 60 -9.708 -6.942 4.730 1.00 0.22 N ATOM 969 CA THR A 60 -9.977 -7.666 3.494 1.00 0.22 C ATOM 970 C THR A 60 -10.381 -9.109 3.756 1.00 0.24 C ATOM 971 O THR A 60 -10.047 -9.691 4.784 1.00 0.33 O ATOM 972 CB THR A 60 -8.765 -7.629 2.543 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.593 -8.095 3.213 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.526 -6.223 2.024 1.00 0.24 C ATOM 0 H THR A 60 -8.729 -6.695 4.871 1.00 0.22 H new ATOM 0 HA THR A 60 -10.814 -7.158 3.015 1.00 0.22 H new ATOM 0 HB THR A 60 -8.982 -8.283 1.698 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.364 -8.991 2.887 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.665 -6.223 1.355 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.407 -5.881 1.481 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.334 -5.554 2.862 1.00 0.24 H new ATOM 982 N THR A 61 -11.111 -9.673 2.813 1.00 0.27 N ATOM 983 CA THR A 61 -11.629 -11.021 2.930 1.00 0.33 C ATOM 984 C THR A 61 -10.585 -12.064 2.547 1.00 0.33 C ATOM 985 O THR A 61 -10.689 -13.233 2.916 1.00 0.43 O ATOM 986 CB THR A 61 -12.856 -11.165 2.024 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.584 -10.543 0.759 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.070 -10.510 2.660 1.00 0.46 C ATOM 0 H THR A 61 -11.362 -9.207 1.941 1.00 0.27 H new ATOM 0 HA THR A 61 -11.901 -11.193 3.971 1.00 0.33 H new ATOM 0 HB THR A 61 -13.067 -12.225 1.881 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.366 -10.634 0.175 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.931 -10.623 2.001 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.281 -10.986 3.618 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.871 -9.450 2.818 1.00 0.46 H new ATOM 996 N SER A 62 -9.570 -11.618 1.828 1.00 0.28 N ATOM 997 CA SER A 62 -8.545 -12.507 1.306 1.00 0.31 C ATOM 998 C SER A 62 -7.164 -11.868 1.410 1.00 0.26 C ATOM 999 O SER A 62 -7.049 -10.666 1.670 1.00 0.24 O ATOM 1000 CB SER A 62 -8.861 -12.855 -0.149 1.00 0.41 C ATOM 1001 OG SER A 62 -9.257 -11.699 -0.876 1.00 1.09 O ATOM 0 H SER A 62 -9.433 -10.636 1.590 1.00 0.28 H new ATOM 0 HA SER A 62 -8.538 -13.420 1.902 1.00 0.31 H new ATOM 0 HB2 SER A 62 -7.984 -13.301 -0.618 1.00 0.41 H new ATOM 0 HB3 SER A 62 -9.655 -13.601 -0.184 1.00 0.41 H new ATOM 0 HG SER A 62 -9.452 -11.947 -1.804 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.120 -12.671 1.218 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.759 -12.168 1.255 1.00 0.23 C ATOM 1009 C GLU A 63 -4.367 -11.629 -0.110 1.00 0.24 C ATOM 1010 O GLU A 63 -4.643 -12.250 -1.140 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.752 -13.251 1.669 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.036 -13.919 3.008 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.259 -14.807 2.994 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.236 -15.841 2.305 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.247 -14.480 3.677 1.00 2.06 O ATOM 0 H GLU A 63 -6.196 -13.672 1.036 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.732 -11.374 2.001 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.729 -14.018 0.895 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.758 -12.806 1.706 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.170 -14.513 3.299 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.165 -13.149 3.769 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.730 -10.476 -0.116 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.252 -9.873 -1.346 1.00 0.17 C ATOM 1024 C PHE A 64 -1.741 -9.979 -1.419 1.00 0.16 C ATOM 1025 O PHE A 64 -1.082 -10.268 -0.417 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.678 -8.409 -1.438 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.149 -8.215 -1.698 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.081 -8.552 -0.731 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.601 -7.699 -2.905 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.433 -8.382 -0.960 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.951 -7.527 -3.140 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.861 -7.846 -2.190 1.00 0.28 C ATOM 0 H PHE A 64 -3.530 -9.933 0.724 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.693 -10.410 -2.186 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.414 -7.905 -0.508 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.112 -7.926 -2.234 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.747 -8.953 0.215 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.888 -7.429 -3.670 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.154 -8.657 -0.204 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.283 -7.135 -4.090 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.914 -7.690 -2.375 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.196 -9.750 -2.600 1.00 0.17 N ATOM 1043 CA TYR A 65 0.237 -9.842 -2.797 1.00 0.16 C ATOM 1044 C TYR A 65 0.896 -8.549 -2.349 1.00 0.16 C ATOM 1045 O TYR A 65 0.905 -7.564 -3.080 1.00 0.18 O ATOM 1046 CB TYR A 65 0.558 -10.120 -4.266 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.180 -11.310 -4.831 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.024 -12.586 -4.320 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.083 -11.157 -5.872 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.653 -13.676 -4.834 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.763 -12.240 -6.391 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.530 -13.503 -5.874 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.227 -14.576 -6.383 1.00 0.66 O ATOM 0 H TYR A 65 -1.724 -9.499 -3.436 1.00 0.17 H new ATOM 0 HA TYR A 65 0.625 -10.667 -2.200 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.313 -9.237 -4.856 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.630 -10.285 -4.370 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.722 -12.728 -3.509 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.257 -10.174 -6.284 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.492 -14.660 -4.418 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.472 -12.103 -7.194 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.804 -14.274 -7.115 1.00 0.66 H new ATOM 1063 N LEU A 66 1.434 -8.550 -1.145 1.00 0.15 N ATOM 1064 CA LEU A 66 2.010 -7.347 -0.576 1.00 0.16 C ATOM 1065 C LEU A 66 3.521 -7.360 -0.712 1.00 0.16 C ATOM 1066 O LEU A 66 4.148 -8.424 -0.693 1.00 0.20 O ATOM 1067 CB LEU A 66 1.621 -7.217 0.894 1.00 0.18 C ATOM 1068 CG LEU A 66 0.123 -7.323 1.169 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.150 -7.266 2.661 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.636 -6.222 0.446 1.00 0.19 C ATOM 0 H LEU A 66 1.484 -9.371 -0.542 1.00 0.15 H new ATOM 0 HA LEU A 66 1.619 -6.490 -1.124 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.137 -7.991 1.462 1.00 0.18 H new ATOM 0 HB3 LEU A 66 1.978 -6.257 1.267 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.226 -8.284 0.791 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.223 -7.343 2.838 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.360 -8.093 3.156 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.217 -6.321 3.062 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.701 -6.316 0.656 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.283 -5.250 0.791 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.468 -6.309 -0.628 1.00 0.19 H new ATOM 1082 N SER A 67 4.093 -6.185 -0.874 1.00 0.17 N ATOM 1083 CA SER A 67 5.527 -6.031 -0.912 1.00 0.18 C ATOM 1084 C SER A 67 5.938 -4.926 0.053 1.00 0.22 C ATOM 1085 O SER A 67 5.651 -3.749 -0.172 1.00 0.26 O ATOM 1086 CB SER A 67 5.966 -5.710 -2.341 1.00 0.22 C ATOM 1087 OG SER A 67 5.478 -6.689 -3.247 1.00 0.29 O ATOM 0 H SER A 67 3.575 -5.313 -0.983 1.00 0.17 H new ATOM 0 HA SER A 67 6.015 -6.956 -0.605 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.597 -4.725 -2.628 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.054 -5.670 -2.392 1.00 0.22 H new ATOM 0 HG SER A 67 6.173 -6.901 -3.905 1.00 0.29 H new ATOM 1093 N ASP A 68 6.588 -5.309 1.136 1.00 0.26 N ATOM 1094 CA ASP A 68 6.935 -4.367 2.187 1.00 0.34 C ATOM 1095 C ASP A 68 8.364 -3.885 2.023 1.00 0.29 C ATOM 1096 O ASP A 68 9.308 -4.666 2.110 1.00 0.34 O ATOM 1097 CB ASP A 68 6.757 -5.013 3.562 1.00 0.46 C ATOM 1098 CG ASP A 68 6.939 -4.026 4.700 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.976 -3.289 5.006 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.028 -4.001 5.310 1.00 2.01 O ATOM 0 H ASP A 68 6.888 -6.268 1.312 1.00 0.26 H new ATOM 0 HA ASP A 68 6.266 -3.510 2.110 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.763 -5.455 3.625 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.475 -5.826 3.673 1.00 0.46 H new ATOM 1105 N CYS A 69 8.519 -2.607 1.766 1.00 0.28 N ATOM 1106 CA CYS A 69 9.834 -2.022 1.632 1.00 0.26 C ATOM 1107 C CYS A 69 10.315 -1.518 2.977 1.00 0.30 C ATOM 1108 O CYS A 69 9.674 -0.670 3.589 1.00 0.35 O ATOM 1109 CB CYS A 69 9.797 -0.884 0.622 1.00 0.25 C ATOM 1110 SG CYS A 69 9.471 -1.440 -1.076 1.00 0.62 S ATOM 0 H CYS A 69 7.748 -1.950 1.645 1.00 0.28 H new ATOM 0 HA CYS A 69 10.528 -2.783 1.275 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.028 -0.170 0.917 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.749 -0.354 0.647 1.00 0.25 H new ATOM 1115 N ASN A 70 11.435 -2.045 3.433 1.00 0.35 N ATOM 1116 CA ASN A 70 11.954 -1.696 4.745 1.00 0.42 C ATOM 1117 C ASN A 70 13.445 -1.406 4.680 1.00 0.44 C ATOM 1118 O ASN A 70 14.160 -1.945 3.829 1.00 0.49 O ATOM 1119 CB ASN A 70 11.662 -2.815 5.750 1.00 0.51 C ATOM 1120 CG ASN A 70 12.265 -4.150 5.352 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.382 -4.485 5.745 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.521 -4.930 4.585 1.00 1.08 N ATOM 0 H ASN A 70 12.004 -2.716 2.916 1.00 0.35 H new ATOM 0 HA ASN A 70 11.451 -0.790 5.082 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.048 -2.526 6.727 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.583 -2.928 5.854 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.869 -5.845 4.299 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.600 -4.616 4.280 1.00 1.08 H new ATOM 1129 N VAL A 71 13.900 -0.537 5.572 1.00 0.47 N ATOM 1130 CA VAL A 71 15.283 -0.090 5.583 1.00 0.51 C ATOM 1131 C VAL A 71 16.215 -1.165 6.130 1.00 0.56 C ATOM 1132 O VAL A 71 15.847 -1.947 7.011 1.00 0.60 O ATOM 1133 CB VAL A 71 15.430 1.226 6.388 1.00 0.54 C ATOM 1134 CG1 VAL A 71 15.099 1.022 7.856 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.822 1.817 6.227 1.00 0.82 C ATOM 0 H VAL A 71 13.323 -0.124 6.305 1.00 0.47 H new ATOM 0 HA VAL A 71 15.574 0.104 4.551 1.00 0.51 H new ATOM 0 HB VAL A 71 14.711 1.936 5.980 1.00 0.54 H new ATOM 0 HG11 VAL A 71 15.213 1.966 8.389 1.00 0.90 H new ATOM 0 HG12 VAL A 71 14.071 0.673 7.952 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.775 0.281 8.282 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.895 2.739 6.803 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.564 1.104 6.588 1.00 0.82 H new ATOM 0 HG23 VAL A 71 17.007 2.031 5.174 1.00 0.82 H new ATOM 1145 N THR A 72 17.411 -1.211 5.571 1.00 0.58 N ATOM 1146 CA THR A 72 18.416 -2.173 5.971 1.00 0.64 C ATOM 1147 C THR A 72 19.399 -1.543 6.961 1.00 0.75 C ATOM 1148 O THR A 72 18.989 -0.875 7.915 1.00 0.93 O ATOM 1149 CB THR A 72 19.161 -2.700 4.731 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.594 -1.601 3.917 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.267 -3.618 3.912 1.00 0.78 C ATOM 0 H THR A 72 17.711 -0.581 4.827 1.00 0.58 H new ATOM 0 HA THR A 72 17.924 -3.010 6.467 1.00 0.64 H new ATOM 0 HB THR A 72 20.028 -3.268 5.069 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.814 -1.166 3.513 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.815 -3.978 3.041 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.959 -4.467 4.523 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.385 -3.069 3.584 1.00 0.78 H new ATOM 1159 N SER A 73 20.687 -1.750 6.741 1.00 0.86 N ATOM 1160 CA SER A 73 21.707 -1.211 7.623 1.00 1.02 C ATOM 1161 C SER A 73 22.050 0.220 7.224 1.00 0.90 C ATOM 1162 O SER A 73 22.523 1.011 8.041 1.00 0.99 O ATOM 1163 CB SER A 73 22.957 -2.093 7.580 1.00 1.33 C ATOM 1164 OG SER A 73 23.417 -2.260 6.249 1.00 1.87 O ATOM 0 H SER A 73 21.051 -2.290 5.956 1.00 0.86 H new ATOM 0 HA SER A 73 21.321 -1.201 8.642 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.744 -1.644 8.187 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.734 -3.067 8.016 1.00 1.33 H new ATOM 0 HG SER A 73 24.217 -2.826 6.248 1.00 1.87 H new ATOM 1170 N ARG A 74 21.797 0.552 5.967 1.00 0.81 N ATOM 1171 CA ARG A 74 22.087 1.865 5.453 1.00 0.76 C ATOM 1172 C ARG A 74 20.791 2.627 5.172 1.00 0.68 C ATOM 1173 O ARG A 74 19.853 2.077 4.593 1.00 0.63 O ATOM 1174 CB ARG A 74 22.939 1.730 4.195 1.00 0.88 C ATOM 1175 CG ARG A 74 23.038 3.004 3.398 1.00 1.40 C ATOM 1176 CD ARG A 74 23.946 2.839 2.193 1.00 1.55 C ATOM 1177 NE ARG A 74 24.065 4.075 1.428 1.00 2.35 N ATOM 1178 CZ ARG A 74 24.941 4.261 0.447 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.725 3.264 0.051 1.00 2.41 N ATOM 1180 NH2 ARG A 74 25.014 5.443 -0.152 1.00 3.76 N ATOM 0 H ARG A 74 21.386 -0.084 5.284 1.00 0.81 H new ATOM 0 HA ARG A 74 22.645 2.437 6.194 1.00 0.76 H new ATOM 0 HB2 ARG A 74 23.941 1.408 4.477 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.519 0.947 3.563 1.00 0.88 H new ATOM 0 HG2 ARG A 74 22.044 3.305 3.067 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.418 3.803 4.034 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.934 2.521 2.524 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.556 2.050 1.550 1.00 1.55 H new ATOM 0 HE ARG A 74 23.437 4.844 1.661 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.656 2.351 0.501 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.396 3.412 -0.703 1.00 2.41 H new ATOM 0 HH21 ARG A 74 24.400 6.202 0.142 1.00 3.76 H new ATOM 0 HH22 ARG A 74 25.685 5.592 -0.906 1.00 3.76 H new ATOM 1194 N PRO A 75 20.723 3.903 5.592 1.00 0.74 N ATOM 1195 CA PRO A 75 19.522 4.730 5.441 1.00 0.74 C ATOM 1196 C PRO A 75 19.129 4.942 3.981 1.00 0.65 C ATOM 1197 O PRO A 75 19.984 5.195 3.127 1.00 0.70 O ATOM 1198 CB PRO A 75 19.907 6.064 6.089 1.00 0.92 C ATOM 1199 CG PRO A 75 21.396 6.073 6.116 1.00 1.05 C ATOM 1200 CD PRO A 75 21.820 4.641 6.244 1.00 0.92 C ATOM 0 HA PRO A 75 18.655 4.255 5.900 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.519 6.906 5.516 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.495 6.146 7.095 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.799 6.519 5.207 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.767 6.665 6.953 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.775 4.459 5.752 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.938 4.348 7.287 1.00 0.92 H new ATOM 1208 N CYS A 76 17.831 4.809 3.714 1.00 0.57 N ATOM 1209 CA CYS A 76 17.255 5.013 2.382 1.00 0.52 C ATOM 1210 C CYS A 76 17.658 3.891 1.415 1.00 0.51 C ATOM 1211 O CYS A 76 17.354 3.944 0.224 1.00 0.55 O ATOM 1212 CB CYS A 76 17.611 6.402 1.821 1.00 0.58 C ATOM 1213 SG CYS A 76 16.660 6.876 0.334 1.00 1.55 S ATOM 0 H CYS A 76 17.142 4.554 4.421 1.00 0.57 H new ATOM 0 HA CYS A 76 16.171 4.974 2.486 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.445 7.149 2.598 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.674 6.423 1.581 1.00 0.58 H new ATOM 1218 N LYS A 77 18.320 2.861 1.932 1.00 0.50 N ATOM 1219 CA LYS A 77 18.560 1.648 1.161 1.00 0.50 C ATOM 1220 C LYS A 77 17.650 0.551 1.684 1.00 0.47 C ATOM 1221 O LYS A 77 17.716 0.181 2.860 1.00 0.51 O ATOM 1222 CB LYS A 77 20.027 1.221 1.230 1.00 0.60 C ATOM 1223 CG LYS A 77 20.960 2.140 0.457 1.00 1.30 C ATOM 1224 CD LYS A 77 20.677 2.110 -1.041 1.00 1.57 C ATOM 1225 CE LYS A 77 20.924 0.729 -1.633 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.709 0.705 -3.105 1.00 2.60 N ATOM 0 H LYS A 77 18.699 2.842 2.879 1.00 0.50 H new ATOM 0 HA LYS A 77 18.337 1.841 0.112 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.340 1.191 2.274 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.122 0.208 0.840 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.853 3.160 0.826 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.993 1.843 0.637 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.643 2.404 -1.222 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.309 2.841 -1.546 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.945 0.417 -1.411 1.00 2.24 H new ATOM 0 HE3 LYS A 77 20.259 0.007 -1.158 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.168 -0.136 -3.509 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 19.689 0.673 -3.306 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 21.119 1.561 -3.530 1.00 2.60 H new ATOM 1240 N TYR A 78 16.802 0.028 0.816 1.00 0.45 N ATOM 1241 CA TYR A 78 15.704 -0.809 1.263 1.00 0.47 C ATOM 1242 C TYR A 78 15.708 -2.170 0.603 1.00 0.52 C ATOM 1243 O TYR A 78 16.166 -2.331 -0.531 1.00 0.59 O ATOM 1244 CB TYR A 78 14.375 -0.110 0.983 1.00 0.48 C ATOM 1245 CG TYR A 78 14.308 1.273 1.578 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.326 1.470 2.950 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.195 2.381 0.758 1.00 0.74 C ATOM 1248 CE1 TYR A 78 14.235 2.739 3.485 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.109 3.649 1.281 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.242 3.803 2.701 1.00 1.17 C ATOM 1251 OH TYR A 78 14.025 5.086 3.157 1.00 1.44 O ATOM 0 H TYR A 78 16.852 0.166 -0.193 1.00 0.45 H new ATOM 0 HA TYR A 78 15.832 -0.964 2.334 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.223 -0.045 -0.094 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.560 -0.713 1.384 1.00 0.48 H new ATOM 0 HD1 TYR A 78 14.412 0.619 3.609 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.174 2.247 -0.313 1.00 0.74 H new ATOM 0 HE1 TYR A 78 14.157 2.864 4.555 1.00 1.15 H new ATOM 0 HE2 TYR A 78 13.946 4.504 0.642 1.00 0.99 H new ATOM 0 HH TYR A 78 13.406 5.063 3.917 1.00 1.44 H new ATOM 1261 N LYS A 79 15.188 -3.139 1.334 1.00 0.53 N ATOM 1262 CA LYS A 79 14.998 -4.482 0.827 1.00 0.58 C ATOM 1263 C LYS A 79 13.514 -4.726 0.615 1.00 0.46 C ATOM 1264 O LYS A 79 12.684 -4.192 1.357 1.00 0.47 O ATOM 1265 CB LYS A 79 15.567 -5.509 1.809 1.00 0.78 C ATOM 1266 CG LYS A 79 15.313 -6.951 1.402 1.00 1.39 C ATOM 1267 CD LYS A 79 16.051 -7.925 2.299 1.00 2.02 C ATOM 1268 CE LYS A 79 17.554 -7.737 2.198 1.00 2.63 C ATOM 1269 NZ LYS A 79 18.048 -7.925 0.806 1.00 3.52 N ATOM 0 H LYS A 79 14.885 -3.014 2.300 1.00 0.53 H new ATOM 0 HA LYS A 79 15.525 -4.589 -0.121 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.641 -5.352 1.903 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.132 -5.337 2.793 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.244 -7.158 1.443 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.627 -7.098 0.369 1.00 1.39 H new ATOM 0 HD2 LYS A 79 15.733 -7.784 3.332 1.00 2.02 H new ATOM 0 HD3 LYS A 79 15.791 -8.947 2.022 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.818 -6.738 2.545 1.00 2.63 H new ATOM 0 HE3 LYS A 79 18.053 -8.446 2.859 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.083 -8.024 0.815 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 17.622 -8.782 0.399 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.785 -7.100 0.230 1.00 3.52 H new ATOM 1283 N LEU A 80 13.182 -5.510 -0.396 1.00 0.45 N ATOM 1284 CA LEU A 80 11.798 -5.837 -0.666 1.00 0.41 C ATOM 1285 C LEU A 80 11.391 -7.066 0.137 1.00 0.42 C ATOM 1286 O LEU A 80 12.164 -8.013 0.288 1.00 0.49 O ATOM 1287 CB LEU A 80 11.585 -6.054 -2.169 1.00 0.50 C ATOM 1288 CG LEU A 80 10.132 -5.982 -2.647 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.431 -7.314 -2.480 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.385 -4.895 -1.901 1.00 0.74 C ATOM 0 H LEU A 80 13.852 -5.930 -1.040 1.00 0.45 H new ATOM 0 HA LEU A 80 11.164 -5.005 -0.359 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.165 -5.308 -2.712 1.00 0.50 H new ATOM 0 HB3 LEU A 80 11.990 -7.030 -2.438 1.00 0.50 H new ATOM 0 HG LEU A 80 10.140 -5.739 -3.710 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.402 -7.230 -2.828 1.00 1.34 H new ATOM 0 HD12 LEU A 80 9.950 -8.074 -3.064 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.436 -7.598 -1.428 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.354 -4.856 -2.252 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.397 -5.112 -0.833 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.866 -3.934 -2.081 1.00 0.74 H new ATOM 1302 N LYS A 81 10.175 -7.041 0.639 1.00 0.40 N ATOM 1303 CA LYS A 81 9.678 -8.094 1.508 1.00 0.44 C ATOM 1304 C LYS A 81 8.332 -8.583 1.002 1.00 0.38 C ATOM 1305 O LYS A 81 7.315 -7.907 1.156 1.00 0.36 O ATOM 1306 CB LYS A 81 9.552 -7.574 2.944 1.00 0.49 C ATOM 1307 CG LYS A 81 9.076 -8.607 3.950 1.00 0.60 C ATOM 1308 CD LYS A 81 8.886 -7.985 5.324 1.00 0.71 C ATOM 1309 CE LYS A 81 8.379 -8.993 6.341 1.00 1.18 C ATOM 1310 NZ LYS A 81 9.366 -10.074 6.607 1.00 1.87 N ATOM 0 H LYS A 81 9.503 -6.295 0.459 1.00 0.40 H new ATOM 0 HA LYS A 81 10.381 -8.927 1.501 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.521 -7.193 3.265 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.860 -6.732 2.952 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.136 -9.043 3.611 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.800 -9.419 4.012 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.833 -7.569 5.667 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.181 -7.157 5.252 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.147 -8.479 7.274 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.450 -9.434 5.980 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 9.027 -10.669 7.390 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 9.480 -10.657 5.754 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 10.282 -9.653 6.863 1.00 1.87 H new ATOM 1324 N LYS A 82 8.333 -9.744 0.378 1.00 0.40 N ATOM 1325 CA LYS A 82 7.126 -10.301 -0.192 1.00 0.37 C ATOM 1326 C LYS A 82 6.333 -11.062 0.861 1.00 0.36 C ATOM 1327 O LYS A 82 6.855 -11.967 1.514 1.00 0.46 O ATOM 1328 CB LYS A 82 7.484 -11.225 -1.351 1.00 0.47 C ATOM 1329 CG LYS A 82 8.358 -10.561 -2.398 1.00 0.54 C ATOM 1330 CD LYS A 82 8.525 -11.443 -3.617 1.00 0.76 C ATOM 1331 CE LYS A 82 9.404 -10.782 -4.666 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.818 -10.681 -4.219 1.00 1.10 N ATOM 0 H LYS A 82 9.164 -10.323 0.253 1.00 0.40 H new ATOM 0 HA LYS A 82 6.505 -9.485 -0.561 1.00 0.37 H new ATOM 0 HB2 LYS A 82 7.999 -12.103 -0.961 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.567 -11.577 -1.823 1.00 0.47 H new ATOM 0 HG2 LYS A 82 7.916 -9.609 -2.693 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.336 -10.339 -1.971 1.00 0.54 H new ATOM 0 HD2 LYS A 82 8.964 -12.396 -3.321 1.00 0.76 H new ATOM 0 HD3 LYS A 82 7.547 -11.662 -4.046 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.356 -11.354 -5.593 1.00 0.90 H new ATOM 0 HE3 LYS A 82 9.020 -9.786 -4.886 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.115 -9.684 -4.228 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 10.905 -11.059 -3.254 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.425 -11.229 -4.862 1.00 1.10 H new ATOM 1346 N SER A 83 5.084 -10.677 1.039 1.00 0.31 N ATOM 1347 CA SER A 83 4.202 -11.358 1.966 1.00 0.36 C ATOM 1348 C SER A 83 2.773 -11.339 1.447 1.00 0.31 C ATOM 1349 O SER A 83 2.274 -10.303 1.015 1.00 0.50 O ATOM 1350 CB SER A 83 4.268 -10.701 3.345 1.00 0.46 C ATOM 1351 OG SER A 83 5.584 -10.750 3.867 1.00 1.12 O ATOM 0 H SER A 83 4.655 -9.891 0.550 1.00 0.31 H new ATOM 0 HA SER A 83 4.529 -12.394 2.056 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.939 -9.664 3.274 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.583 -11.207 4.026 1.00 0.46 H new ATOM 0 HG SER A 83 5.602 -10.323 4.749 1.00 1.12 H new ATOM 1357 N THR A 84 2.127 -12.490 1.464 1.00 0.25 N ATOM 1358 CA THR A 84 0.732 -12.573 1.081 1.00 0.23 C ATOM 1359 C THR A 84 -0.135 -12.535 2.332 1.00 0.22 C ATOM 1360 O THR A 84 -0.102 -13.456 3.150 1.00 0.29 O ATOM 1361 CB THR A 84 0.448 -13.860 0.283 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.520 -14.108 -0.642 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.858 -13.744 -0.486 1.00 0.27 C ATOM 0 H THR A 84 2.546 -13.378 1.739 1.00 0.25 H new ATOM 0 HA THR A 84 0.496 -11.723 0.440 1.00 0.23 H new ATOM 0 HB THR A 84 0.369 -14.687 0.989 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.335 -14.928 -1.145 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.036 -14.665 -1.041 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.678 -13.577 0.213 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.798 -12.907 -1.181 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.893 -11.464 2.488 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.690 -11.267 3.688 1.00 0.18 C ATOM 1373 C ASN A 85 -2.842 -10.325 3.397 1.00 0.17 C ATOM 1374 O ASN A 85 -2.833 -9.617 2.387 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.843 -10.690 4.822 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.275 -11.192 6.189 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.448 -11.486 6.417 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.330 -11.298 7.109 1.00 0.37 N ATOM 0 H ASN A 85 -0.974 -10.716 1.799 1.00 0.18 H new ATOM 0 HA ASN A 85 -2.075 -12.238 3.998 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.203 -10.950 4.658 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.908 -9.602 4.802 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.564 -11.633 8.044 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.632 -11.045 6.883 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.840 -10.342 4.261 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.921 -9.387 4.197 1.00 0.19 C ATOM 1387 C LYS A 86 -4.419 -8.023 4.650 1.00 0.18 C ATOM 1388 O LYS A 86 -3.269 -7.888 5.064 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.062 -9.831 5.102 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.569 -11.236 4.831 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.800 -11.512 5.660 1.00 0.33 C ATOM 1392 CE LYS A 86 -8.417 -12.863 5.365 1.00 0.55 C ATOM 1393 NZ LYS A 86 -7.563 -13.985 5.831 1.00 1.17 N ATOM 0 H LYS A 86 -3.921 -11.016 5.022 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.282 -9.324 3.170 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.731 -9.771 6.139 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.891 -9.131 4.991 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.801 -11.349 3.772 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.792 -11.963 5.066 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.539 -11.460 6.717 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.539 -10.732 5.475 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -9.393 -12.927 5.846 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.584 -12.957 4.292 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.150 -14.832 5.974 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -6.834 -14.186 5.117 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.107 -13.724 6.729 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.264 -7.014 4.564 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.923 -5.702 5.087 1.00 0.18 C ATOM 1409 C PHE A 87 -6.179 -4.889 5.349 1.00 0.18 C ATOM 1410 O PHE A 87 -7.168 -5.011 4.630 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.964 -4.955 4.146 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.458 -4.793 2.730 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.283 -3.734 2.386 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.112 -5.709 1.752 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.745 -3.592 1.092 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.574 -5.571 0.456 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.346 -4.480 0.114 1.00 0.20 C ATOM 0 H PHE A 87 -6.189 -7.075 4.139 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.404 -5.842 6.035 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.768 -3.967 4.562 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.013 -5.487 4.124 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.568 -3.012 3.137 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.473 -6.542 2.004 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.419 -2.785 0.845 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.331 -6.316 -0.287 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.637 -4.322 -0.914 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.153 -4.099 6.411 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.287 -3.268 6.756 1.00 0.20 C ATOM 1429 C CYS A 88 -7.067 -1.876 6.187 1.00 0.20 C ATOM 1430 O CYS A 88 -6.048 -1.238 6.470 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.467 -3.189 8.278 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.178 -2.838 8.804 1.00 0.49 S ATOM 0 H CYS A 88 -5.359 -4.018 7.046 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.191 -3.707 6.333 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.148 -4.132 8.721 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.810 -2.413 8.672 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.993 -1.421 5.368 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.914 -0.087 4.803 1.00 0.22 C ATOM 1439 C VAL A 89 -9.043 0.777 5.326 1.00 0.24 C ATOM 1440 O VAL A 89 -10.154 0.292 5.551 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.947 -0.098 3.257 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.603 -0.534 2.704 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.060 -1.003 2.740 1.00 0.20 C ATOM 0 H VAL A 89 -8.811 -1.956 5.077 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.955 0.329 5.113 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.153 0.916 2.913 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.641 -0.537 1.615 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.830 0.158 3.038 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.371 -1.537 3.062 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.061 -0.992 1.650 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.895 -2.021 3.093 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.021 -0.643 3.107 1.00 0.20 H new ATOM 1453 N THR A 90 -8.751 2.046 5.555 1.00 0.26 N ATOM 1454 CA THR A 90 -9.778 2.980 5.952 1.00 0.28 C ATOM 1455 C THR A 90 -10.542 3.422 4.712 1.00 0.25 C ATOM 1456 O THR A 90 -10.018 4.176 3.886 1.00 0.25 O ATOM 1457 CB THR A 90 -9.179 4.213 6.654 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.298 3.795 7.706 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.274 5.100 7.229 1.00 0.40 C ATOM 0 H THR A 90 -7.817 2.446 5.472 1.00 0.26 H new ATOM 0 HA THR A 90 -10.445 2.485 6.658 1.00 0.28 H new ATOM 0 HB THR A 90 -8.621 4.788 5.914 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.805 3.289 8.375 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.823 5.963 7.719 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.927 5.439 6.425 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.857 4.534 7.955 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.760 2.936 4.568 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.557 3.225 3.392 1.00 0.22 C ATOM 1469 C CYS A 91 -13.436 4.442 3.600 1.00 0.25 C ATOM 1470 O CYS A 91 -14.151 4.538 4.594 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.407 2.012 3.047 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.418 0.540 2.660 1.00 0.20 S ATOM 0 H CYS A 91 -12.220 2.337 5.254 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.882 3.447 2.565 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.068 1.789 3.884 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.042 2.251 2.194 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.366 5.375 2.664 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.202 6.558 2.710 1.00 0.29 C ATOM 1479 C GLU A 92 -14.510 7.023 1.293 1.00 0.27 C ATOM 1480 O GLU A 92 -13.617 7.090 0.452 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.511 7.662 3.501 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.462 8.738 3.980 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.777 9.804 4.805 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.874 9.463 5.598 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -14.140 10.987 4.666 1.00 0.76 O ATOM 0 H GLU A 92 -12.736 5.333 1.863 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.139 6.316 3.212 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.007 7.222 4.362 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.741 8.118 2.879 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.939 9.204 3.118 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -15.253 8.279 4.573 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.781 7.320 1.034 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.247 7.701 -0.302 1.00 0.31 C ATOM 1494 C ASN A 93 -15.935 6.615 -1.323 1.00 0.28 C ATOM 1495 O ASN A 93 -15.622 6.905 -2.479 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.635 9.028 -0.757 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.233 10.225 -0.051 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.277 10.738 -0.457 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.567 10.693 0.992 1.00 0.65 N ATOM 0 H ASN A 93 -16.517 7.304 1.740 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.328 7.825 -0.236 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.560 9.007 -0.578 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.777 9.138 -1.832 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.914 11.510 1.494 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.706 10.237 1.294 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.029 5.364 -0.875 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.852 4.194 -1.733 1.00 0.25 C ATOM 1508 C GLN A 94 -14.407 4.039 -2.189 1.00 0.22 C ATOM 1509 O GLN A 94 -14.121 3.300 -3.129 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.781 4.264 -2.944 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.249 4.321 -2.570 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.155 4.385 -3.780 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.247 4.944 -3.724 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.697 3.830 -4.887 1.00 0.48 N ATOM 0 H GLN A 94 -16.231 5.133 0.098 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.110 3.318 -1.139 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.529 5.144 -3.536 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.608 3.394 -3.577 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.503 3.443 -1.976 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.426 5.193 -1.941 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.784 3.376 -4.890 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.256 3.856 -5.740 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.497 4.711 -1.506 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.092 4.639 -1.859 1.00 0.19 C ATOM 1525 C ALA A 95 -11.208 4.528 -0.621 1.00 0.17 C ATOM 1526 O ALA A 95 -11.457 5.183 0.393 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.701 5.855 -2.679 1.00 0.21 C ATOM 0 H ALA A 95 -13.705 5.310 -0.707 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.940 3.739 -2.455 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.645 5.793 -2.940 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.299 5.887 -3.590 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.879 6.759 -2.097 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.199 3.648 -0.676 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.159 3.563 0.354 1.00 0.17 C ATOM 1535 C PRO A 96 -8.395 4.876 0.494 1.00 0.19 C ATOM 1536 O PRO A 96 -7.714 5.309 -0.432 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.222 2.463 -0.150 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.017 1.688 -1.145 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.020 2.640 -1.731 1.00 0.17 C ATOM 0 HA PRO A 96 -9.581 3.354 1.337 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.328 2.888 -0.607 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -7.889 1.825 0.669 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.371 1.279 -1.922 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.516 0.844 -0.669 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.655 3.088 -2.655 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.958 2.138 -1.969 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.522 5.515 1.646 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.875 6.802 1.867 1.00 0.24 C ATOM 1549 C VAL A 97 -6.763 6.705 2.905 1.00 0.27 C ATOM 1550 O VAL A 97 -5.814 7.486 2.890 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.894 7.874 2.300 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.850 8.197 1.161 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.662 7.412 3.525 1.00 0.35 C ATOM 0 H VAL A 97 -9.063 5.168 2.438 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.434 7.097 0.915 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.349 8.782 2.556 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.561 8.956 1.487 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.285 8.572 0.307 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.389 7.295 0.872 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.377 8.181 3.817 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.195 6.490 3.294 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.966 7.233 4.345 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.886 5.748 3.812 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.887 5.543 4.854 1.00 0.35 C ATOM 1565 C HIS A 98 -5.540 4.063 4.944 1.00 0.31 C ATOM 1566 O HIS A 98 -6.384 3.210 4.673 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.396 6.028 6.219 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.459 7.517 6.396 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.802 8.172 7.412 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.143 8.470 5.721 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -6.081 9.460 7.358 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.893 9.671 6.340 1.00 0.82 N ATOM 0 H HIS A 98 -7.671 5.098 3.849 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.001 6.122 4.592 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.393 5.618 6.381 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.751 5.615 6.995 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.770 8.315 4.855 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -5.707 10.215 8.034 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.272 10.575 6.059 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.311 3.760 5.324 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.885 2.378 5.468 1.00 0.29 C ATOM 1583 C PHE A 99 -3.735 2.037 6.945 1.00 0.29 C ATOM 1584 O PHE A 99 -2.998 2.703 7.670 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.566 2.140 4.727 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.181 0.691 4.635 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.836 -0.166 3.765 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.155 0.189 5.418 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.475 -1.497 3.683 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.792 -1.139 5.341 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.486 -1.992 4.455 1.00 0.31 C ATOM 0 H PHE A 99 -3.591 4.450 5.538 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.642 1.729 5.029 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.645 2.551 3.721 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.771 2.687 5.233 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.636 0.210 3.145 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.633 0.846 6.098 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -2.991 -2.148 2.993 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.013 -1.522 5.951 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.225 -3.038 4.396 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.439 1.007 7.385 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.429 0.621 8.787 1.00 0.28 C ATOM 1603 C VAL A 100 -3.282 -0.354 9.082 1.00 0.28 C ATOM 1604 O VAL A 100 -2.339 -0.015 9.798 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.777 -0.009 9.195 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.770 -0.404 10.662 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.931 0.944 8.896 1.00 0.29 C ATOM 0 H VAL A 100 -5.026 0.422 6.790 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.275 1.525 9.376 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.920 -0.913 8.604 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.731 -0.846 10.925 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.977 -1.130 10.840 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.597 0.480 11.276 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.872 0.480 9.191 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.792 1.870 9.454 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.954 1.164 7.829 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.368 -1.559 8.533 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.301 -2.536 8.702 1.00 0.29 C ATOM 1619 C GLY A 101 -2.630 -3.852 8.038 1.00 0.25 C ATOM 1620 O GLY A 101 -3.781 -4.084 7.666 1.00 0.28 O ATOM 0 H GLY A 101 -4.157 -1.881 7.972 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.376 -2.139 8.283 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.124 -2.700 9.765 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.635 -4.716 7.894 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.834 -5.982 7.205 1.00 0.22 C ATOM 1626 C VAL A 102 -2.250 -7.081 8.177 1.00 0.24 C ATOM 1627 O VAL A 102 -1.986 -7.003 9.381 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.586 -6.427 6.404 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.145 -5.227 5.821 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.350 -7.296 7.235 1.00 0.25 C ATOM 0 H VAL A 102 -0.688 -4.565 8.243 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.640 -5.816 6.491 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.938 -7.043 5.576 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.017 -5.568 5.263 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.523 -4.683 5.153 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.465 -4.568 6.628 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.211 -7.584 6.632 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.689 -6.736 8.106 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.179 -8.191 7.562 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.917 -8.090 7.639 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.432 -9.173 8.445 1.00 0.29 C ATOM 1642 C GLY A 103 -4.854 -8.899 8.876 1.00 0.28 C ATOM 1643 O GLY A 103 -5.806 -9.364 8.254 1.00 0.34 O ATOM 0 H GLY A 103 -3.112 -8.177 6.642 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.393 -10.103 7.878 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.802 -9.309 9.324 1.00 0.29 H new ATOM 1647 N SER A 104 -4.985 -8.144 9.945 1.00 0.33 N ATOM 1648 CA SER A 104 -6.265 -7.660 10.419 1.00 0.32 C ATOM 1649 C SER A 104 -6.033 -6.366 11.179 1.00 0.39 C ATOM 1650 O SER A 104 -4.913 -6.102 11.623 1.00 0.59 O ATOM 1651 CB SER A 104 -6.928 -8.702 11.317 1.00 0.45 C ATOM 1652 OG SER A 104 -7.227 -9.882 10.587 1.00 1.38 O ATOM 0 H SER A 104 -4.196 -7.845 10.517 1.00 0.33 H new ATOM 0 HA SER A 104 -6.932 -7.478 9.576 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.268 -8.942 12.151 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.843 -8.291 11.743 1.00 0.45 H new ATOM 0 HG SER A 104 -6.908 -9.786 9.665 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.058 -5.546 11.304 1.00 0.39 N ATOM 1659 CA CYS A 105 -6.918 -4.300 12.030 1.00 0.53 C ATOM 1660 C CYS A 105 -7.342 -4.471 13.480 1.00 0.48 C ATOM 1661 O CYS A 105 -8.529 -4.235 13.789 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.706 -3.189 11.358 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.288 -3.705 10.630 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.496 -4.873 14.303 1.00 1.20 O ATOM 0 H CYS A 105 -7.986 -5.717 10.917 1.00 0.39 H new ATOM 0 HA CYS A 105 -5.866 -4.016 12.018 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -7.898 -2.406 12.091 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -7.089 -2.748 10.575 1.00 0.82 H new