USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1238 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: B 119 LYS NZ :NH3+ -159:sc= 2.61 (180deg=0.951) USER MOD Set 1.2: B 121 GLN : amide:sc= 0.996 K(o=3.6,f=-9.9!) USER MOD Set 2.1: B 117 ASN : amide:sc= -0.0595 X(o=-0.04,f=0) USER MOD Set 2.2: B 118 THR OG1 : rot 180:sc= 0.0193 USER MOD Set 3.1: B 99 LYS NZ :NH3+ -133:sc= 2.37 (180deg=0.11) USER MOD Set 3.2: B 100 ASN : amide:sc= 0.672 K(o=3,f=-4.3) USER MOD Set 4.1: B 95 ASN : amide:sc= -0.122 K(o=-1.1,f=-1.8!) USER MOD Set 4.2: B 98 GLN : amide:sc= -0.958 X(o=-1.1,f=-0.62) USER MOD Set 5.1: B 59 TYR OH : rot -25:sc= 1.05 USER MOD Set 5.2: B 62 LYS NZ :NH3+ -125:sc= 1.23 (180deg=0) USER MOD Set 6.1: B 52 GLN : amide:sc= 0.564 K(o=1.6,f=-0.36) USER MOD Set 6.2: B 54 SER OG : rot -159:sc= 1.02 USER MOD Set 7.1: B 50 ASN : amide:sc= 0.767 K(o=3,f=-6.3!) USER MOD Set 7.2: B 56 LYS NZ :NH3+ 164:sc= 2.25 (180deg=1.08) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.162) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.23 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.24) USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.93 USER MOD Single : A 9 THR OG1 : rot -29:sc= 0.6 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0274) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 22 THR OG1 : rot 113:sc= 1.43 USER MOD Single : A 25 ASN : amide:sc= 1.14 K(o=1.1,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.154 (180deg=-3.55!) USER MOD Single : A 31 GLN : amide:sc= -0.666 K(o=-0.67,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 1.17 (180deg=-1.07) USER MOD Single : A 40 GLN : amide:sc= -0.0746 K(o=-0.075,f=-3) USER MOD Single : A 41 GLN : amide:sc= -2.96 K(o=-3,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 57 SER OG : rot 144:sc= -0.508 USER MOD Single : A 59 TYR OH : rot -121:sc= 0.849 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.072) USER MOD Single : A 62 GLN : amide:sc= 0.0763 K(o=0.076,f=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.862) USER MOD Single : A 65 SER OG : rot -88:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0937 K(o=-0.094,f=-1.7!) USER MOD Single : B 51 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.41) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : B 66 TYR OH : rot 30:sc= -0.0878 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 1.32 K(o=1.3,f=-5.9!) USER MOD Single : B 78 SER OG : rot 36:sc= 0.085 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 134:sc= 0.0336 (180deg=-0.223) USER MOD Single : B 83 TYR OH : rot -27:sc= 0.372 USER MOD Single : B 84 ASN : amide:sc= 0.0787 X(o=0.079,f=0.17) USER MOD Single : B 85 THR OG1 : rot 81:sc= 0.67 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -55:sc= 1.14 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 ASN : amide:sc= 0.724 K(o=0.72,f=-4.6!) USER MOD Single : B 105 MET CE :methyl 165:sc= -0.0751 (180deg=-0.406) USER MOD Single : B 109 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.2) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : B 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 127 ASN : amide:sc= 0.131 K(o=0.13,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.855 5.918 -8.777 1.00 1.33 N ATOM 2 CA MET A 1 -18.413 6.182 -8.984 1.00 1.28 C ATOM 3 C MET A 1 -17.631 4.876 -9.033 1.00 1.15 C ATOM 4 O MET A 1 -17.888 3.953 -8.258 1.00 1.19 O ATOM 5 CB MET A 1 -17.860 7.080 -7.869 1.00 1.53 C ATOM 6 CG MET A 1 -17.979 6.485 -6.474 1.00 1.58 C ATOM 7 SD MET A 1 -16.747 7.131 -5.323 1.00 1.88 S ATOM 8 CE MET A 1 -17.048 8.893 -5.443 1.00 1.44 C ATOM 0 H1 MET A 1 -20.313 6.771 -8.397 1.00 1.33 H new ATOM 0 H2 MET A 1 -20.295 5.663 -9.684 1.00 1.33 H new ATOM 0 H3 MET A 1 -19.971 5.134 -8.104 1.00 1.33 H new ATOM 0 HA MET A 1 -18.298 6.697 -9.938 1.00 1.28 H new ATOM 0 HB2 MET A 1 -16.810 7.290 -8.074 1.00 1.53 H new ATOM 0 HB3 MET A 1 -18.387 8.034 -7.891 1.00 1.53 H new ATOM 0 HG2 MET A 1 -18.976 6.688 -6.082 1.00 1.58 H new ATOM 0 HG3 MET A 1 -17.876 5.402 -6.537 1.00 1.58 H new ATOM 0 HE1 MET A 1 -16.490 9.411 -4.663 1.00 1.44 H new ATOM 0 HE2 MET A 1 -16.725 9.252 -6.420 1.00 1.44 H new ATOM 0 HE3 MET A 1 -18.113 9.090 -5.319 1.00 1.44 H new ATOM 20 N GLN A 2 -16.694 4.798 -9.962 1.00 1.16 N ATOM 21 CA GLN A 2 -15.868 3.615 -10.122 1.00 1.06 C ATOM 22 C GLN A 2 -14.424 3.950 -9.776 1.00 1.00 C ATOM 23 O GLN A 2 -13.691 4.507 -10.596 1.00 1.13 O ATOM 24 CB GLN A 2 -15.968 3.091 -11.554 1.00 1.18 C ATOM 25 CG GLN A 2 -15.865 1.579 -11.656 1.00 1.27 C ATOM 26 CD GLN A 2 -15.949 1.078 -13.080 1.00 1.41 C ATOM 27 OE1 GLN A 2 -15.502 1.747 -14.015 1.00 1.59 O ATOM 28 NE2 GLN A 2 -16.537 -0.092 -13.259 1.00 1.75 N ATOM 0 H GLN A 2 -16.486 5.547 -10.622 1.00 1.16 H new ATOM 0 HA GLN A 2 -16.222 2.836 -9.447 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -16.917 3.412 -11.984 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -15.177 3.542 -12.153 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -14.922 1.254 -11.217 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -16.663 1.125 -11.069 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -16.893 -0.612 -12.457 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -16.635 -0.475 -14.199 1.00 1.75 H new ATOM 37 N ILE A 3 -14.024 3.628 -8.556 1.00 0.88 N ATOM 38 CA ILE A 3 -12.671 3.915 -8.095 1.00 0.82 C ATOM 39 C ILE A 3 -11.699 2.814 -8.511 1.00 0.81 C ATOM 40 O ILE A 3 -12.109 1.696 -8.840 1.00 0.85 O ATOM 41 CB ILE A 3 -12.604 4.102 -6.561 1.00 0.75 C ATOM 42 CG1 ILE A 3 -12.970 2.802 -5.817 1.00 0.68 C ATOM 43 CG2 ILE A 3 -13.499 5.253 -6.124 1.00 0.82 C ATOM 44 CD1 ILE A 3 -14.452 2.624 -5.527 1.00 1.10 C ATOM 0 H ILE A 3 -14.616 3.167 -7.865 1.00 0.88 H new ATOM 0 HA ILE A 3 -12.379 4.852 -8.569 1.00 0.82 H new ATOM 0 HB ILE A 3 -11.575 4.348 -6.298 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -12.626 1.953 -6.408 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -12.425 2.775 -4.874 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -13.439 5.370 -5.042 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -13.170 6.173 -6.607 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -14.529 5.041 -6.410 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -14.609 1.682 -5.002 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -14.803 3.448 -4.906 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -15.008 2.614 -6.465 1.00 1.10 H new ATOM 56 N PHE A 4 -10.412 3.138 -8.484 1.00 0.80 N ATOM 57 CA PHE A 4 -9.373 2.192 -8.858 1.00 0.81 C ATOM 58 C PHE A 4 -8.652 1.687 -7.618 1.00 0.75 C ATOM 59 O PHE A 4 -8.085 2.469 -6.856 1.00 0.82 O ATOM 60 CB PHE A 4 -8.374 2.851 -9.814 1.00 0.87 C ATOM 61 CG PHE A 4 -9.011 3.424 -11.050 1.00 0.99 C ATOM 62 CD1 PHE A 4 -9.285 2.617 -12.141 1.00 1.30 C ATOM 63 CD2 PHE A 4 -9.341 4.770 -11.118 1.00 1.00 C ATOM 64 CE1 PHE A 4 -9.875 3.140 -13.278 1.00 1.45 C ATOM 65 CE2 PHE A 4 -9.931 5.296 -12.251 1.00 1.14 C ATOM 66 CZ PHE A 4 -10.199 4.480 -13.331 1.00 1.30 C ATOM 0 H PHE A 4 -10.063 4.055 -8.205 1.00 0.80 H new ATOM 0 HA PHE A 4 -9.838 1.346 -9.365 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -7.848 3.646 -9.285 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -7.626 2.115 -10.109 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -9.035 1.567 -12.104 1.00 1.30 H new ATOM 0 HD2 PHE A 4 -9.134 5.414 -10.276 1.00 1.00 H new ATOM 0 HE1 PHE A 4 -10.082 2.500 -14.123 1.00 1.45 H new ATOM 0 HE2 PHE A 4 -10.182 6.346 -12.291 1.00 1.14 H new ATOM 0 HZ PHE A 4 -10.662 4.890 -14.217 1.00 1.30 H new ATOM 76 N VAL A 5 -8.679 0.383 -7.416 1.00 0.66 N ATOM 77 CA VAL A 5 -8.027 -0.215 -6.267 1.00 0.60 C ATOM 78 C VAL A 5 -6.800 -1.018 -6.702 1.00 0.60 C ATOM 79 O VAL A 5 -6.904 -2.007 -7.430 1.00 0.67 O ATOM 80 CB VAL A 5 -9.004 -1.103 -5.455 1.00 0.60 C ATOM 81 CG1 VAL A 5 -9.728 -2.100 -6.346 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.275 -1.821 -4.331 1.00 0.56 C ATOM 0 H VAL A 5 -9.145 -0.282 -8.033 1.00 0.66 H new ATOM 0 HA VAL A 5 -7.699 0.594 -5.614 1.00 0.60 H new ATOM 0 HB VAL A 5 -9.755 -0.446 -5.016 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -10.404 -2.705 -5.741 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -10.300 -1.563 -7.103 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -9.000 -2.748 -6.834 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -8.981 -2.438 -3.775 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.492 -2.453 -4.750 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -7.828 -1.087 -3.660 1.00 0.56 H new ATOM 92 N LYS A 6 -5.633 -0.561 -6.277 1.00 0.58 N ATOM 93 CA LYS A 6 -4.386 -1.225 -6.605 1.00 0.63 C ATOM 94 C LYS A 6 -4.078 -2.282 -5.552 1.00 0.62 C ATOM 95 O LYS A 6 -4.001 -1.975 -4.362 1.00 0.59 O ATOM 96 CB LYS A 6 -3.252 -0.198 -6.688 1.00 0.69 C ATOM 97 CG LYS A 6 -1.978 -0.739 -7.313 1.00 1.21 C ATOM 98 CD LYS A 6 -0.906 0.341 -7.443 1.00 1.24 C ATOM 99 CE LYS A 6 -1.282 1.396 -8.477 1.00 1.27 C ATOM 100 NZ LYS A 6 -0.191 2.387 -8.691 1.00 1.38 N ATOM 0 H LYS A 6 -5.526 0.273 -5.700 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.479 -1.713 -7.575 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -3.593 0.660 -7.267 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -3.028 0.164 -5.684 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -1.595 -1.559 -6.706 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -2.202 -1.149 -8.298 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.754 0.819 -6.475 1.00 1.24 H new ATOM 0 HD3 LYS A 6 0.041 -0.120 -7.723 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -1.518 0.908 -9.423 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -2.184 1.915 -8.153 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -0.441 3.013 -9.483 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.063 2.954 -7.829 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.694 1.887 -8.911 1.00 1.38 H new ATOM 114 N THR A 7 -3.926 -3.522 -5.983 1.00 0.66 N ATOM 115 CA THR A 7 -3.642 -4.616 -5.067 1.00 0.67 C ATOM 116 C THR A 7 -2.164 -4.664 -4.694 1.00 0.73 C ATOM 117 O THR A 7 -1.375 -3.803 -5.097 1.00 0.74 O ATOM 118 CB THR A 7 -4.054 -5.966 -5.680 1.00 0.71 C ATOM 119 OG1 THR A 7 -3.391 -6.145 -6.934 1.00 0.96 O ATOM 120 CG2 THR A 7 -5.559 -6.034 -5.880 1.00 0.94 C ATOM 0 H THR A 7 -3.994 -3.798 -6.963 1.00 0.66 H new ATOM 0 HA THR A 7 -4.225 -4.435 -4.164 1.00 0.67 H new ATOM 0 HB THR A 7 -3.763 -6.761 -4.994 1.00 0.71 H new ATOM 0 HG1 THR A 7 -3.789 -5.549 -7.602 1.00 0.96 H new ATOM 0 HG21 THR A 7 -5.825 -6.998 -6.314 1.00 0.94 H new ATOM 0 HG22 THR A 7 -6.059 -5.919 -4.919 1.00 0.94 H new ATOM 0 HG23 THR A 7 -5.873 -5.234 -6.551 1.00 0.94 H new ATOM 128 N LEU A 8 -1.795 -5.686 -3.934 1.00 0.81 N ATOM 129 CA LEU A 8 -0.419 -5.859 -3.494 1.00 0.90 C ATOM 130 C LEU A 8 0.459 -6.385 -4.627 1.00 0.96 C ATOM 131 O LEU A 8 1.672 -6.193 -4.627 1.00 1.02 O ATOM 132 CB LEU A 8 -0.371 -6.815 -2.298 1.00 0.98 C ATOM 133 CG LEU A 8 0.979 -6.905 -1.586 1.00 1.11 C ATOM 134 CD1 LEU A 8 1.297 -5.594 -0.880 1.00 1.20 C ATOM 135 CD2 LEU A 8 0.977 -8.062 -0.595 1.00 1.24 C ATOM 0 H LEU A 8 -2.434 -6.411 -3.608 1.00 0.81 H new ATOM 0 HA LEU A 8 -0.031 -4.886 -3.192 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -1.124 -6.503 -1.575 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.650 -7.812 -2.639 1.00 0.98 H new ATOM 0 HG LEU A 8 1.754 -7.089 -2.330 1.00 1.11 H new ATOM 0 HD11 LEU A 8 2.261 -5.675 -0.378 1.00 1.20 H new ATOM 0 HD12 LEU A 8 1.336 -4.787 -1.612 1.00 1.20 H new ATOM 0 HD13 LEU A 8 0.522 -5.380 -0.144 1.00 1.20 H new ATOM 0 HD21 LEU A 8 1.944 -8.115 -0.095 1.00 1.24 H new ATOM 0 HD22 LEU A 8 0.193 -7.905 0.146 1.00 1.24 H new ATOM 0 HD23 LEU A 8 0.792 -8.996 -1.126 1.00 1.24 H new ATOM 147 N THR A 9 -0.163 -7.031 -5.605 1.00 0.98 N ATOM 148 CA THR A 9 0.575 -7.588 -6.732 1.00 1.08 C ATOM 149 C THR A 9 0.674 -6.578 -7.880 1.00 1.09 C ATOM 150 O THR A 9 1.195 -6.893 -8.948 1.00 1.26 O ATOM 151 CB THR A 9 -0.067 -8.905 -7.230 1.00 1.14 C ATOM 152 OG1 THR A 9 0.766 -9.530 -8.214 1.00 1.25 O ATOM 153 CG2 THR A 9 -1.452 -8.662 -7.815 1.00 1.12 C ATOM 0 H THR A 9 -1.171 -7.182 -5.641 1.00 0.98 H new ATOM 0 HA THR A 9 1.583 -7.812 -6.382 1.00 1.08 H new ATOM 0 HB THR A 9 -0.167 -9.565 -6.369 1.00 1.14 H new ATOM 0 HG1 THR A 9 1.275 -8.844 -8.695 1.00 1.25 H new ATOM 0 HG21 THR A 9 -1.874 -9.608 -8.155 1.00 1.12 H new ATOM 0 HG22 THR A 9 -2.099 -8.230 -7.052 1.00 1.12 H new ATOM 0 HG23 THR A 9 -1.376 -7.975 -8.658 1.00 1.12 H new ATOM 161 N GLY A 10 0.168 -5.369 -7.655 1.00 0.96 N ATOM 162 CA GLY A 10 0.223 -4.331 -8.674 1.00 1.01 C ATOM 163 C GLY A 10 -1.030 -4.274 -9.525 1.00 0.98 C ATOM 164 O GLY A 10 -1.300 -3.262 -10.178 1.00 1.12 O ATOM 0 H GLY A 10 -0.281 -5.087 -6.783 1.00 0.96 H new ATOM 0 HA2 GLY A 10 0.374 -3.364 -8.193 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.086 -4.505 -9.317 1.00 1.01 H new ATOM 168 N LYS A 11 -1.799 -5.354 -9.512 1.00 0.97 N ATOM 169 CA LYS A 11 -3.031 -5.436 -10.286 1.00 0.94 C ATOM 170 C LYS A 11 -4.012 -4.354 -9.841 1.00 0.88 C ATOM 171 O LYS A 11 -4.327 -4.242 -8.655 1.00 0.93 O ATOM 172 CB LYS A 11 -3.660 -6.820 -10.120 1.00 0.93 C ATOM 173 CG LYS A 11 -4.576 -7.216 -11.262 1.00 1.18 C ATOM 174 CD LYS A 11 -5.218 -8.570 -11.012 1.00 1.26 C ATOM 175 CE LYS A 11 -5.586 -9.265 -12.313 1.00 1.59 C ATOM 176 NZ LYS A 11 -4.394 -9.835 -12.994 1.00 2.04 N ATOM 0 H LYS A 11 -1.589 -6.192 -8.970 1.00 0.97 H new ATOM 0 HA LYS A 11 -2.795 -5.278 -11.338 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -2.866 -7.561 -10.029 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -4.225 -6.843 -9.188 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -5.352 -6.461 -11.387 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -4.008 -7.247 -12.192 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -4.532 -9.199 -10.444 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -6.112 -8.442 -10.402 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -6.303 -10.061 -12.109 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -6.078 -8.555 -12.977 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -4.700 -10.428 -13.792 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -3.793 -9.063 -13.347 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -3.853 -10.414 -12.320 1.00 2.04 H new ATOM 190 N THR A 12 -4.475 -3.553 -10.782 1.00 0.85 N ATOM 191 CA THR A 12 -5.405 -2.482 -10.476 1.00 0.84 C ATOM 192 C THR A 12 -6.820 -2.857 -10.902 1.00 0.83 C ATOM 193 O THR A 12 -7.106 -3.005 -12.093 1.00 0.94 O ATOM 194 CB THR A 12 -4.976 -1.180 -11.171 1.00 0.94 C ATOM 195 OG1 THR A 12 -3.541 -1.112 -11.204 1.00 1.01 O ATOM 196 CG2 THR A 12 -5.529 0.037 -10.442 1.00 0.92 C ATOM 0 H THR A 12 -4.222 -3.624 -11.767 1.00 0.85 H new ATOM 0 HA THR A 12 -5.396 -2.325 -9.397 1.00 0.84 H new ATOM 0 HB THR A 12 -5.374 -1.179 -12.186 1.00 0.94 H new ATOM 0 HG1 THR A 12 -3.263 -0.284 -11.648 1.00 1.01 H new ATOM 0 HG21 THR A 12 -5.210 0.944 -10.955 1.00 0.92 H new ATOM 0 HG22 THR A 12 -6.618 -0.010 -10.430 1.00 0.92 H new ATOM 0 HG23 THR A 12 -5.155 0.049 -9.418 1.00 0.92 H new ATOM 204 N ILE A 13 -7.696 -3.021 -9.926 1.00 0.75 N ATOM 205 CA ILE A 13 -9.077 -3.386 -10.192 1.00 0.76 C ATOM 206 C ILE A 13 -9.968 -2.156 -10.093 1.00 0.76 C ATOM 207 O ILE A 13 -9.615 -1.181 -9.433 1.00 0.75 O ATOM 208 CB ILE A 13 -9.584 -4.458 -9.199 1.00 0.75 C ATOM 209 CG1 ILE A 13 -8.426 -5.342 -8.727 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.672 -5.310 -9.840 1.00 0.82 C ATOM 211 CD1 ILE A 13 -8.794 -6.266 -7.588 1.00 0.85 C ATOM 0 H ILE A 13 -7.474 -2.907 -8.937 1.00 0.75 H new ATOM 0 HA ILE A 13 -9.119 -3.800 -11.199 1.00 0.76 H new ATOM 0 HB ILE A 13 -10.008 -3.949 -8.333 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -8.070 -5.938 -9.567 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -7.598 -4.705 -8.414 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -11.016 -6.058 -9.126 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -11.508 -4.674 -10.130 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.271 -5.808 -10.723 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -7.925 -6.861 -7.307 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -9.122 -5.676 -6.732 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -9.601 -6.928 -7.903 1.00 0.85 H new ATOM 223 N THR A 14 -11.100 -2.186 -10.767 1.00 0.83 N ATOM 224 CA THR A 14 -12.033 -1.073 -10.743 1.00 0.86 C ATOM 225 C THR A 14 -13.390 -1.535 -10.218 1.00 0.83 C ATOM 226 O THR A 14 -13.988 -2.465 -10.762 1.00 0.89 O ATOM 227 CB THR A 14 -12.194 -0.474 -12.150 1.00 1.01 C ATOM 228 OG1 THR A 14 -11.010 -0.737 -12.922 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.433 1.027 -12.088 1.00 1.39 C ATOM 0 H THR A 14 -11.399 -2.974 -11.342 1.00 0.83 H new ATOM 0 HA THR A 14 -11.636 -0.305 -10.079 1.00 0.86 H new ATOM 0 HB THR A 14 -13.060 -0.939 -12.620 1.00 1.01 H new ATOM 0 HG1 THR A 14 -11.113 -0.357 -13.819 1.00 1.16 H new ATOM 0 HG21 THR A 14 -12.543 1.420 -13.099 1.00 1.39 H new ATOM 0 HG22 THR A 14 -13.341 1.228 -11.520 1.00 1.39 H new ATOM 0 HG23 THR A 14 -11.586 1.510 -11.601 1.00 1.39 H new ATOM 237 N LEU A 15 -13.864 -0.901 -9.153 1.00 0.81 N ATOM 238 CA LEU A 15 -15.143 -1.262 -8.546 1.00 0.81 C ATOM 239 C LEU A 15 -16.123 -0.094 -8.616 1.00 0.88 C ATOM 240 O LEU A 15 -15.767 1.044 -8.299 1.00 0.89 O ATOM 241 CB LEU A 15 -14.940 -1.678 -7.082 1.00 0.76 C ATOM 242 CG LEU A 15 -14.716 -3.177 -6.828 1.00 0.80 C ATOM 243 CD1 LEU A 15 -15.888 -3.999 -7.339 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.419 -3.654 -7.462 1.00 0.85 C ATOM 0 H LEU A 15 -13.382 -0.131 -8.689 1.00 0.81 H new ATOM 0 HA LEU A 15 -15.557 -2.102 -9.104 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -14.084 -1.132 -6.686 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.813 -1.360 -6.511 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.641 -3.319 -5.750 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -15.703 -5.056 -7.146 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -16.799 -3.691 -6.827 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -16.003 -3.841 -8.411 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -13.288 -4.718 -7.265 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -13.457 -3.486 -8.538 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.581 -3.101 -7.037 1.00 0.85 H new ATOM 256 N GLU A 16 -17.349 -0.376 -9.040 1.00 0.98 N ATOM 257 CA GLU A 16 -18.381 0.648 -9.149 1.00 1.07 C ATOM 258 C GLU A 16 -19.282 0.631 -7.918 1.00 1.06 C ATOM 259 O GLU A 16 -19.863 -0.400 -7.567 1.00 1.07 O ATOM 260 CB GLU A 16 -19.218 0.469 -10.425 1.00 1.19 C ATOM 261 CG GLU A 16 -19.877 -0.897 -10.571 1.00 1.26 C ATOM 262 CD GLU A 16 -18.913 -1.969 -11.032 1.00 1.29 C ATOM 263 OE1 GLU A 16 -18.747 -2.140 -12.256 1.00 1.35 O ATOM 264 OE2 GLU A 16 -18.311 -2.644 -10.172 1.00 1.32 O ATOM 0 H GLU A 16 -17.654 -1.310 -9.315 1.00 0.98 H new ATOM 0 HA GLU A 16 -17.883 1.616 -9.209 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.993 1.235 -10.444 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -18.578 0.642 -11.290 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -20.309 -1.191 -9.614 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -20.699 -0.824 -11.283 1.00 1.26 H new ATOM 271 N VAL A 17 -19.381 1.771 -7.254 1.00 1.05 N ATOM 272 CA VAL A 17 -20.201 1.893 -6.059 1.00 1.06 C ATOM 273 C VAL A 17 -20.833 3.275 -5.964 1.00 1.12 C ATOM 274 O VAL A 17 -20.463 4.196 -6.698 1.00 1.18 O ATOM 275 CB VAL A 17 -19.381 1.626 -4.776 1.00 0.99 C ATOM 276 CG1 VAL A 17 -19.127 0.140 -4.596 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.067 2.389 -4.809 1.00 0.92 C ATOM 0 H VAL A 17 -18.901 2.630 -7.524 1.00 1.05 H new ATOM 0 HA VAL A 17 -20.986 1.141 -6.141 1.00 1.06 H new ATOM 0 HB VAL A 17 -19.963 1.979 -3.925 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -18.548 -0.023 -3.687 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -20.079 -0.385 -4.519 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -18.571 -0.240 -5.453 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -17.506 2.187 -3.897 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -17.483 2.071 -5.672 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.269 3.458 -4.882 1.00 0.92 H new ATOM 287 N GLU A 18 -21.785 3.411 -5.058 1.00 1.15 N ATOM 288 CA GLU A 18 -22.479 4.670 -4.847 1.00 1.20 C ATOM 289 C GLU A 18 -21.879 5.399 -3.650 1.00 1.10 C ATOM 290 O GLU A 18 -21.286 4.769 -2.780 1.00 1.08 O ATOM 291 CB GLU A 18 -23.970 4.413 -4.612 1.00 1.39 C ATOM 292 CG GLU A 18 -24.786 4.380 -5.891 1.00 1.59 C ATOM 293 CD GLU A 18 -24.754 5.701 -6.626 1.00 1.73 C ATOM 294 OE1 GLU A 18 -25.504 6.619 -6.239 1.00 1.86 O ATOM 295 OE2 GLU A 18 -23.964 5.836 -7.584 1.00 1.92 O ATOM 0 H GLU A 18 -22.098 2.655 -4.449 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.364 5.292 -5.735 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.089 3.464 -4.089 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.366 5.189 -3.957 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.404 3.595 -6.543 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -25.819 4.123 -5.654 1.00 1.59 H new ATOM 302 N PRO A 19 -22.013 6.732 -3.581 1.00 1.10 N ATOM 303 CA PRO A 19 -21.481 7.522 -2.463 1.00 1.06 C ATOM 304 C PRO A 19 -22.133 7.137 -1.135 1.00 1.10 C ATOM 305 O PRO A 19 -21.547 7.307 -0.065 1.00 1.13 O ATOM 306 CB PRO A 19 -21.841 8.967 -2.838 1.00 1.13 C ATOM 307 CG PRO A 19 -22.954 8.840 -3.816 1.00 1.32 C ATOM 308 CD PRO A 19 -22.678 7.580 -4.581 1.00 1.21 C ATOM 0 HA PRO A 19 -20.412 7.364 -2.320 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -22.148 9.538 -1.962 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -20.988 9.486 -3.275 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -23.917 8.787 -3.309 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -22.991 9.702 -4.482 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -23.595 7.123 -4.953 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -22.040 7.763 -5.445 1.00 1.21 H new ATOM 316 N SER A 20 -23.353 6.619 -1.224 1.00 1.16 N ATOM 317 CA SER A 20 -24.113 6.199 -0.058 1.00 1.26 C ATOM 318 C SER A 20 -23.800 4.750 0.309 1.00 1.22 C ATOM 319 O SER A 20 -24.266 4.240 1.332 1.00 1.29 O ATOM 320 CB SER A 20 -25.600 6.357 -0.357 1.00 1.42 C ATOM 321 OG SER A 20 -25.836 6.277 -1.756 1.00 1.50 O ATOM 0 H SER A 20 -23.841 6.479 -2.109 1.00 1.16 H new ATOM 0 HA SER A 20 -23.836 6.823 0.792 1.00 1.26 H new ATOM 0 HB2 SER A 20 -26.165 5.581 0.158 1.00 1.42 H new ATOM 0 HB3 SER A 20 -25.954 7.315 0.024 1.00 1.42 H new ATOM 0 HG SER A 20 -26.795 6.378 -1.932 1.00 1.50 H new ATOM 327 N ASP A 21 -23.001 4.095 -0.525 1.00 1.13 N ATOM 328 CA ASP A 21 -22.624 2.707 -0.299 1.00 1.09 C ATOM 329 C ASP A 21 -21.596 2.624 0.818 1.00 1.02 C ATOM 330 O ASP A 21 -20.572 3.312 0.786 1.00 1.03 O ATOM 331 CB ASP A 21 -22.052 2.096 -1.582 1.00 1.08 C ATOM 332 CG ASP A 21 -22.547 0.688 -1.852 1.00 1.32 C ATOM 333 OD1 ASP A 21 -23.431 0.206 -1.116 1.00 1.46 O ATOM 334 OD2 ASP A 21 -22.067 0.064 -2.826 1.00 1.65 O ATOM 0 H ASP A 21 -22.600 4.507 -1.368 1.00 1.13 H new ATOM 0 HA ASP A 21 -23.512 2.145 -0.009 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -22.313 2.733 -2.427 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -20.964 2.084 -1.516 1.00 1.08 H new ATOM 339 N THR A 22 -21.882 1.806 1.817 1.00 0.97 N ATOM 340 CA THR A 22 -20.976 1.639 2.937 1.00 0.92 C ATOM 341 C THR A 22 -19.738 0.865 2.499 1.00 0.81 C ATOM 342 O THR A 22 -19.821 -0.008 1.632 1.00 0.79 O ATOM 343 CB THR A 22 -21.672 0.910 4.101 1.00 0.96 C ATOM 344 OG1 THR A 22 -22.704 0.053 3.594 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.270 1.901 5.088 1.00 1.03 C ATOM 0 H THR A 22 -22.734 1.248 1.874 1.00 0.97 H new ATOM 0 HA THR A 22 -20.674 2.627 3.284 1.00 0.92 H new ATOM 0 HB THR A 22 -20.924 0.313 4.623 1.00 0.96 H new ATOM 0 HG1 THR A 22 -22.458 -0.883 3.750 1.00 1.12 H new ATOM 0 HG21 THR A 22 -22.755 1.359 5.899 1.00 1.03 H new ATOM 0 HG22 THR A 22 -21.479 2.532 5.495 1.00 1.03 H new ATOM 0 HG23 THR A 22 -23.005 2.524 4.578 1.00 1.03 H new ATOM 353 N ILE A 23 -18.595 1.190 3.096 1.00 0.76 N ATOM 354 CA ILE A 23 -17.335 0.540 2.754 1.00 0.66 C ATOM 355 C ILE A 23 -17.457 -0.982 2.825 1.00 0.64 C ATOM 356 O ILE A 23 -16.924 -1.694 1.977 1.00 0.58 O ATOM 357 CB ILE A 23 -16.184 1.008 3.670 1.00 0.63 C ATOM 358 CG1 ILE A 23 -15.968 2.524 3.546 1.00 0.66 C ATOM 359 CG2 ILE A 23 -14.902 0.260 3.340 1.00 0.57 C ATOM 360 CD1 ILE A 23 -15.649 2.988 2.137 1.00 0.66 C ATOM 0 H ILE A 23 -18.516 1.902 3.822 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.103 0.829 1.729 1.00 0.66 H new ATOM 0 HB ILE A 23 -16.459 0.786 4.701 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -16.864 3.038 3.893 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.154 2.820 4.208 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -14.102 0.603 3.996 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.057 -0.809 3.485 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -14.627 0.449 2.302 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -15.510 4.069 2.133 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -14.735 2.504 1.793 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -16.472 2.725 1.472 1.00 0.66 H new ATOM 372 N GLU A 24 -18.172 -1.474 3.832 1.00 0.72 N ATOM 373 CA GLU A 24 -18.366 -2.913 3.999 1.00 0.74 C ATOM 374 C GLU A 24 -19.046 -3.528 2.773 1.00 0.74 C ATOM 375 O GLU A 24 -18.680 -4.622 2.344 1.00 0.74 O ATOM 376 CB GLU A 24 -19.174 -3.209 5.264 1.00 0.85 C ATOM 377 CG GLU A 24 -20.216 -2.156 5.589 1.00 0.98 C ATOM 378 CD GLU A 24 -21.629 -2.692 5.537 1.00 1.04 C ATOM 379 OE1 GLU A 24 -22.042 -3.388 6.491 1.00 1.16 O ATOM 380 OE2 GLU A 24 -22.337 -2.409 4.552 1.00 1.71 O ATOM 0 H GLU A 24 -18.626 -0.901 4.543 1.00 0.72 H new ATOM 0 HA GLU A 24 -17.382 -3.370 4.102 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -19.670 -4.173 5.149 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -18.489 -3.301 6.107 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -20.021 -1.754 6.583 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -20.120 -1.328 4.886 1.00 0.98 H new ATOM 387 N ASN A 25 -20.010 -2.816 2.198 1.00 0.79 N ATOM 388 CA ASN A 25 -20.713 -3.305 1.013 1.00 0.82 C ATOM 389 C ASN A 25 -19.775 -3.282 -0.185 1.00 0.74 C ATOM 390 O ASN A 25 -19.818 -4.163 -1.045 1.00 0.75 O ATOM 391 CB ASN A 25 -21.960 -2.466 0.722 1.00 0.92 C ATOM 392 CG ASN A 25 -22.940 -3.189 -0.188 1.00 1.03 C ATOM 393 OD1 ASN A 25 -23.033 -4.417 -0.176 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.686 -2.436 -0.977 1.00 1.11 N ATOM 0 H ASN A 25 -20.322 -1.903 2.530 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.035 -4.329 1.203 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -22.455 -2.216 1.661 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -21.663 -1.525 0.258 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -24.366 -2.869 -1.602 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.582 -1.421 -0.961 1.00 1.11 H new ATOM 401 N VAL A 26 -18.917 -2.269 -0.231 1.00 0.69 N ATOM 402 CA VAL A 26 -17.940 -2.139 -1.302 1.00 0.63 C ATOM 403 C VAL A 26 -16.963 -3.305 -1.232 1.00 0.57 C ATOM 404 O VAL A 26 -16.642 -3.933 -2.243 1.00 0.57 O ATOM 405 CB VAL A 26 -17.152 -0.812 -1.199 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.194 -0.650 -2.372 1.00 0.58 C ATOM 407 CG2 VAL A 26 -18.100 0.375 -1.106 1.00 0.69 C ATOM 0 H VAL A 26 -18.880 -1.524 0.465 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.477 -2.142 -2.251 1.00 0.63 H new ATOM 0 HB VAL A 26 -16.559 -0.845 -0.285 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.654 0.291 -2.273 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.484 -1.477 -2.379 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -16.758 -0.648 -3.305 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -17.523 1.297 -1.034 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -18.729 0.409 -1.996 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -18.728 0.271 -0.221 1.00 0.69 H new ATOM 417 N LYS A 27 -16.522 -3.601 -0.014 1.00 0.55 N ATOM 418 CA LYS A 27 -15.601 -4.698 0.234 1.00 0.53 C ATOM 419 C LYS A 27 -16.251 -6.031 -0.132 1.00 0.57 C ATOM 420 O LYS A 27 -15.580 -6.961 -0.578 1.00 0.57 O ATOM 421 CB LYS A 27 -15.176 -4.714 1.706 1.00 0.56 C ATOM 422 CG LYS A 27 -14.359 -3.502 2.137 1.00 0.57 C ATOM 423 CD LYS A 27 -14.394 -3.296 3.650 1.00 0.60 C ATOM 424 CE LYS A 27 -13.943 -4.536 4.405 1.00 0.89 C ATOM 425 NZ LYS A 27 -14.054 -4.372 5.882 1.00 1.00 N ATOM 0 H LYS A 27 -16.793 -3.088 0.825 1.00 0.55 H new ATOM 0 HA LYS A 27 -14.718 -4.553 -0.388 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.068 -4.776 2.329 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -14.593 -5.616 1.894 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -13.326 -3.627 1.812 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -14.743 -2.611 1.641 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -13.752 -2.456 3.916 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -15.406 -3.033 3.957 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -14.545 -5.389 4.090 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -12.909 -4.762 4.144 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -13.883 -5.287 6.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.349 -3.680 6.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -15.008 -4.034 6.123 1.00 1.00 H new ATOM 439 N ALA A 28 -17.566 -6.111 0.057 1.00 0.64 N ATOM 440 CA ALA A 28 -18.315 -7.323 -0.259 1.00 0.71 C ATOM 441 C ALA A 28 -18.326 -7.577 -1.762 1.00 0.73 C ATOM 442 O ALA A 28 -18.244 -8.720 -2.212 1.00 0.78 O ATOM 443 CB ALA A 28 -19.740 -7.218 0.272 1.00 0.77 C ATOM 0 H ALA A 28 -18.135 -5.350 0.428 1.00 0.64 H new ATOM 0 HA ALA A 28 -17.822 -8.166 0.225 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -20.287 -8.129 0.029 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -19.716 -7.087 1.354 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.237 -6.363 -0.187 1.00 0.77 H new ATOM 449 N LYS A 29 -18.410 -6.501 -2.533 1.00 0.72 N ATOM 450 CA LYS A 29 -18.421 -6.600 -3.986 1.00 0.76 C ATOM 451 C LYS A 29 -17.084 -7.137 -4.493 1.00 0.72 C ATOM 452 O LYS A 29 -17.004 -7.731 -5.571 1.00 0.76 O ATOM 453 CB LYS A 29 -18.737 -5.240 -4.612 1.00 0.79 C ATOM 454 CG LYS A 29 -20.163 -4.780 -4.346 1.00 1.12 C ATOM 455 CD LYS A 29 -20.408 -3.357 -4.826 1.00 1.05 C ATOM 456 CE LYS A 29 -21.840 -2.922 -4.554 1.00 1.61 C ATOM 457 NZ LYS A 29 -22.087 -1.513 -4.969 1.00 1.56 N ATOM 0 H LYS A 29 -18.472 -5.548 -2.175 1.00 0.72 H new ATOM 0 HA LYS A 29 -19.203 -7.299 -4.283 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -18.042 -4.496 -4.222 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -18.574 -5.295 -5.688 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -20.859 -5.454 -4.844 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -20.369 -4.842 -3.277 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -19.718 -2.678 -4.325 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -20.202 -3.290 -5.894 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -22.526 -3.581 -5.086 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -22.055 -3.029 -3.491 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -23.078 -1.408 -5.268 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -21.897 -0.877 -4.168 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -21.459 -1.269 -5.761 1.00 1.56 H new ATOM 471 N ILE A 30 -16.039 -6.943 -3.697 1.00 0.67 N ATOM 472 CA ILE A 30 -14.711 -7.424 -4.049 1.00 0.63 C ATOM 473 C ILE A 30 -14.666 -8.944 -3.900 1.00 0.64 C ATOM 474 O ILE A 30 -13.982 -9.635 -4.658 1.00 0.66 O ATOM 475 CB ILE A 30 -13.618 -6.762 -3.178 1.00 0.59 C ATOM 476 CG1 ILE A 30 -13.711 -5.235 -3.301 1.00 0.65 C ATOM 477 CG2 ILE A 30 -12.230 -7.251 -3.588 1.00 0.56 C ATOM 478 CD1 ILE A 30 -12.703 -4.483 -2.460 1.00 0.68 C ATOM 0 H ILE A 30 -16.087 -6.455 -2.803 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.509 -7.153 -5.085 1.00 0.63 H new ATOM 0 HB ILE A 30 -13.779 -7.044 -2.137 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.575 -4.957 -4.346 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -14.714 -4.919 -3.015 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.476 -6.773 -2.963 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -12.173 -8.332 -3.462 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -12.049 -6.997 -4.633 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -12.836 -3.411 -2.604 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -12.851 -4.729 -1.408 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -11.694 -4.767 -2.760 1.00 0.68 H new ATOM 490 N GLN A 31 -15.425 -9.465 -2.942 1.00 0.64 N ATOM 491 CA GLN A 31 -15.487 -10.903 -2.720 1.00 0.67 C ATOM 492 C GLN A 31 -16.361 -11.549 -3.785 1.00 0.74 C ATOM 493 O GLN A 31 -16.200 -12.718 -4.119 1.00 0.83 O ATOM 494 CB GLN A 31 -16.038 -11.231 -1.331 1.00 0.69 C ATOM 495 CG GLN A 31 -15.787 -12.671 -0.916 1.00 0.77 C ATOM 496 CD GLN A 31 -16.600 -13.094 0.290 1.00 0.88 C ATOM 497 OE1 GLN A 31 -16.996 -12.270 1.111 1.00 0.90 O ATOM 498 NE2 GLN A 31 -16.836 -14.387 0.414 1.00 1.10 N ATOM 0 H GLN A 31 -16.004 -8.914 -2.309 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.473 -11.299 -2.783 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.583 -10.564 -0.599 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -17.110 -11.036 -1.317 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -16.020 -13.330 -1.753 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -14.727 -12.799 -0.695 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -16.489 -15.038 -0.290 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -17.365 -14.734 1.214 1.00 1.10 H new ATOM 507 N ASP A 32 -17.288 -10.772 -4.310 1.00 0.76 N ATOM 508 CA ASP A 32 -18.190 -11.250 -5.342 1.00 0.87 C ATOM 509 C ASP A 32 -17.474 -11.347 -6.684 1.00 0.88 C ATOM 510 O ASP A 32 -17.619 -12.331 -7.409 1.00 0.97 O ATOM 511 CB ASP A 32 -19.394 -10.313 -5.464 1.00 0.95 C ATOM 512 CG ASP A 32 -20.263 -10.635 -6.664 1.00 1.15 C ATOM 513 OD1 ASP A 32 -20.986 -11.652 -6.622 1.00 1.45 O ATOM 514 OD2 ASP A 32 -20.235 -9.871 -7.652 1.00 1.37 O ATOM 0 H ASP A 32 -17.437 -9.801 -4.037 1.00 0.76 H new ATOM 0 HA ASP A 32 -18.535 -12.245 -5.060 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.995 -10.379 -4.557 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -19.043 -9.284 -5.540 1.00 0.95 H new ATOM 519 N LYS A 33 -16.688 -10.331 -7.001 1.00 0.82 N ATOM 520 CA LYS A 33 -15.973 -10.293 -8.270 1.00 0.87 C ATOM 521 C LYS A 33 -14.640 -11.037 -8.219 1.00 0.84 C ATOM 522 O LYS A 33 -14.376 -11.897 -9.055 1.00 0.92 O ATOM 523 CB LYS A 33 -15.718 -8.849 -8.691 1.00 0.85 C ATOM 524 CG LYS A 33 -16.978 -8.056 -8.997 1.00 1.06 C ATOM 525 CD LYS A 33 -16.663 -6.858 -9.873 1.00 1.25 C ATOM 526 CE LYS A 33 -17.896 -6.013 -10.129 1.00 1.51 C ATOM 527 NZ LYS A 33 -17.636 -4.974 -11.153 1.00 1.50 N ATOM 0 H LYS A 33 -16.528 -9.523 -6.400 1.00 0.82 H new ATOM 0 HA LYS A 33 -16.610 -10.795 -8.998 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -15.168 -8.343 -7.898 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -15.078 -8.847 -9.574 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -17.704 -8.697 -9.498 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -17.437 -7.721 -8.067 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -15.897 -6.248 -9.395 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -16.252 -7.199 -10.823 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -18.715 -6.652 -10.457 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -18.214 -5.539 -9.200 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -17.627 -4.037 -10.702 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -16.715 -5.151 -11.601 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -18.384 -5.004 -11.875 1.00 1.50 H new ATOM 541 N GLU A 34 -13.800 -10.696 -7.255 1.00 0.80 N ATOM 542 CA GLU A 34 -12.484 -11.316 -7.143 1.00 0.81 C ATOM 543 C GLU A 34 -12.509 -12.568 -6.280 1.00 0.83 C ATOM 544 O GLU A 34 -11.823 -13.548 -6.571 1.00 1.03 O ATOM 545 CB GLU A 34 -11.487 -10.312 -6.569 1.00 0.76 C ATOM 546 CG GLU A 34 -11.176 -9.167 -7.515 1.00 0.83 C ATOM 547 CD GLU A 34 -10.435 -9.636 -8.746 1.00 0.95 C ATOM 548 OE1 GLU A 34 -11.092 -10.010 -9.739 1.00 1.47 O ATOM 549 OE2 GLU A 34 -9.189 -9.647 -8.721 1.00 1.33 O ATOM 0 H GLU A 34 -14.002 -9.997 -6.540 1.00 0.80 H new ATOM 0 HA GLU A 34 -12.177 -11.616 -8.145 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -11.885 -9.907 -5.638 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -10.561 -10.831 -6.321 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -12.105 -8.681 -7.814 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -10.578 -8.419 -6.995 1.00 0.83 H new ATOM 556 N GLY A 35 -13.288 -12.531 -5.217 1.00 0.73 N ATOM 557 CA GLY A 35 -13.370 -13.670 -4.327 1.00 0.76 C ATOM 558 C GLY A 35 -12.649 -13.414 -3.022 1.00 0.75 C ATOM 559 O GLY A 35 -12.587 -14.285 -2.157 1.00 0.93 O ATOM 0 H GLY A 35 -13.867 -11.734 -4.951 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -14.416 -13.900 -4.126 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -12.940 -14.545 -4.815 1.00 0.76 H new ATOM 563 N ILE A 36 -12.097 -12.214 -2.890 1.00 0.64 N ATOM 564 CA ILE A 36 -11.379 -11.828 -1.684 1.00 0.63 C ATOM 565 C ILE A 36 -12.370 -11.336 -0.631 1.00 0.62 C ATOM 566 O ILE A 36 -13.028 -10.315 -0.822 1.00 0.62 O ATOM 567 CB ILE A 36 -10.347 -10.718 -1.975 1.00 0.63 C ATOM 568 CG1 ILE A 36 -9.532 -11.071 -3.223 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.429 -10.522 -0.775 1.00 0.68 C ATOM 570 CD1 ILE A 36 -8.669 -9.935 -3.722 1.00 0.76 C ATOM 0 H ILE A 36 -12.134 -11.490 -3.607 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.845 -12.703 -1.314 1.00 0.63 H new ATOM 0 HB ILE A 36 -10.877 -9.784 -2.159 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.897 -11.929 -3.002 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -10.213 -11.375 -4.018 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -8.706 -9.736 -0.994 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -10.022 -10.237 0.094 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -8.901 -11.452 -0.565 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -8.121 -10.256 -4.607 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -9.300 -9.083 -3.975 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -7.963 -9.645 -2.944 1.00 0.76 H new ATOM 582 N PRO A 37 -12.498 -12.067 0.485 1.00 0.68 N ATOM 583 CA PRO A 37 -13.436 -11.719 1.558 1.00 0.72 C ATOM 584 C PRO A 37 -13.103 -10.394 2.237 1.00 0.66 C ATOM 585 O PRO A 37 -11.935 -10.077 2.470 1.00 0.64 O ATOM 586 CB PRO A 37 -13.306 -12.878 2.548 1.00 0.86 C ATOM 587 CG PRO A 37 -11.968 -13.470 2.269 1.00 0.91 C ATOM 588 CD PRO A 37 -11.730 -13.284 0.798 1.00 0.75 C ATOM 0 HA PRO A 37 -14.446 -11.584 1.171 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -13.377 -12.528 3.578 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -14.100 -13.611 2.405 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -11.193 -12.976 2.855 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -11.945 -14.526 2.537 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -10.670 -13.160 0.574 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -12.080 -14.141 0.222 1.00 0.75 H new ATOM 596 N PRO A 38 -14.138 -9.609 2.572 1.00 0.68 N ATOM 597 CA PRO A 38 -13.980 -8.307 3.226 1.00 0.65 C ATOM 598 C PRO A 38 -13.427 -8.431 4.644 1.00 0.65 C ATOM 599 O PRO A 38 -12.890 -7.473 5.205 1.00 0.70 O ATOM 600 CB PRO A 38 -15.409 -7.755 3.267 1.00 0.71 C ATOM 601 CG PRO A 38 -16.283 -8.955 3.208 1.00 0.79 C ATOM 602 CD PRO A 38 -15.558 -9.931 2.335 1.00 0.78 C ATOM 0 HA PRO A 38 -13.272 -7.671 2.695 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.585 -7.182 4.177 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -15.599 -7.086 2.427 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.452 -9.367 4.203 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.261 -8.709 2.795 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.788 -10.961 2.607 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -15.828 -9.810 1.286 1.00 0.78 H new ATOM 610 N ASP A 39 -13.550 -9.625 5.205 1.00 0.68 N ATOM 611 CA ASP A 39 -13.094 -9.896 6.562 1.00 0.74 C ATOM 612 C ASP A 39 -11.575 -10.012 6.633 1.00 0.82 C ATOM 613 O ASP A 39 -10.957 -9.575 7.602 1.00 0.99 O ATOM 614 CB ASP A 39 -13.742 -11.185 7.078 1.00 0.80 C ATOM 615 CG ASP A 39 -13.620 -11.342 8.580 1.00 1.51 C ATOM 616 OD1 ASP A 39 -14.137 -10.477 9.316 1.00 2.52 O ATOM 617 OD2 ASP A 39 -13.016 -12.336 9.035 1.00 1.85 O ATOM 0 H ASP A 39 -13.966 -10.430 4.736 1.00 0.68 H new ATOM 0 HA ASP A 39 -13.392 -9.057 7.191 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -14.796 -11.193 6.801 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -13.277 -12.041 6.589 1.00 0.80 H new ATOM 622 N GLN A 40 -10.969 -10.570 5.597 1.00 0.87 N ATOM 623 CA GLN A 40 -9.520 -10.761 5.580 1.00 1.00 C ATOM 624 C GLN A 40 -8.804 -9.693 4.757 1.00 0.98 C ATOM 625 O GLN A 40 -7.598 -9.789 4.529 1.00 1.24 O ATOM 626 CB GLN A 40 -9.169 -12.148 5.030 1.00 1.14 C ATOM 627 CG GLN A 40 -9.267 -13.266 6.055 1.00 1.29 C ATOM 628 CD GLN A 40 -10.696 -13.667 6.363 1.00 1.35 C ATOM 629 OE1 GLN A 40 -11.583 -13.565 5.516 1.00 1.73 O ATOM 630 NE2 GLN A 40 -10.928 -14.131 7.576 1.00 1.64 N ATOM 0 H GLN A 40 -11.451 -10.898 4.760 1.00 0.87 H new ATOM 0 HA GLN A 40 -9.179 -10.674 6.611 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -9.833 -12.375 4.196 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -8.155 -12.123 4.632 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -8.723 -14.136 5.688 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -8.778 -12.950 6.976 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -10.166 -14.200 8.250 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -11.870 -14.421 7.840 1.00 1.64 H new ATOM 639 N GLN A 41 -9.526 -8.672 4.332 1.00 0.78 N ATOM 640 CA GLN A 41 -8.928 -7.617 3.525 1.00 0.81 C ATOM 641 C GLN A 41 -8.959 -6.277 4.254 1.00 0.67 C ATOM 642 O GLN A 41 -9.702 -6.099 5.225 1.00 0.78 O ATOM 643 CB GLN A 41 -9.655 -7.504 2.183 1.00 0.89 C ATOM 644 CG GLN A 41 -10.890 -6.617 2.226 1.00 0.95 C ATOM 645 CD GLN A 41 -11.714 -6.679 0.955 1.00 0.83 C ATOM 646 OE1 GLN A 41 -12.295 -5.683 0.540 1.00 1.44 O ATOM 647 NE2 GLN A 41 -11.785 -7.850 0.344 1.00 0.79 N ATOM 0 H GLN A 41 -10.519 -8.549 4.529 1.00 0.78 H new ATOM 0 HA GLN A 41 -7.885 -7.879 3.347 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -8.963 -7.112 1.438 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -9.947 -8.501 1.853 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -11.513 -6.913 3.070 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -10.583 -5.586 2.403 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -11.285 -8.654 0.723 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -12.339 -7.949 -0.507 1.00 0.79 H new ATOM 656 N ARG A 42 -8.136 -5.348 3.785 1.00 0.56 N ATOM 657 CA ARG A 42 -8.061 -4.015 4.364 1.00 0.56 C ATOM 658 C ARG A 42 -7.759 -2.983 3.280 1.00 0.50 C ATOM 659 O ARG A 42 -6.759 -3.086 2.566 1.00 0.52 O ATOM 660 CB ARG A 42 -6.981 -3.957 5.447 1.00 0.77 C ATOM 661 CG ARG A 42 -6.923 -2.623 6.174 1.00 0.95 C ATOM 662 CD ARG A 42 -5.689 -2.518 7.057 1.00 1.24 C ATOM 663 NE ARG A 42 -5.821 -3.296 8.288 1.00 1.62 N ATOM 664 CZ ARG A 42 -4.950 -4.231 8.682 1.00 2.19 C ATOM 665 NH1 ARG A 42 -3.911 -4.548 7.918 1.00 2.48 N ATOM 666 NH2 ARG A 42 -5.129 -4.857 9.836 1.00 2.87 N ATOM 0 H ARG A 42 -7.506 -5.497 2.997 1.00 0.56 H new ATOM 0 HA ARG A 42 -9.026 -3.786 4.817 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -7.162 -4.750 6.173 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -6.011 -4.157 4.992 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -6.920 -1.812 5.446 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -7.818 -2.501 6.784 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -4.817 -2.865 6.502 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -5.512 -1.472 7.308 1.00 1.24 H new ATOM 0 HE ARG A 42 -6.629 -3.114 8.884 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -3.773 -4.077 7.024 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -3.251 -5.262 8.225 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -5.931 -4.626 10.423 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -4.465 -5.570 10.138 1.00 2.87 H new ATOM 680 N LEU A 43 -8.634 -1.998 3.150 1.00 0.50 N ATOM 681 CA LEU A 43 -8.454 -0.940 2.166 1.00 0.46 C ATOM 682 C LEU A 43 -7.852 0.286 2.836 1.00 0.49 C ATOM 683 O LEU A 43 -8.368 0.759 3.848 1.00 0.51 O ATOM 684 CB LEU A 43 -9.794 -0.572 1.522 1.00 0.43 C ATOM 685 CG LEU A 43 -10.379 -1.621 0.572 1.00 0.45 C ATOM 686 CD1 LEU A 43 -11.854 -1.350 0.323 1.00 0.46 C ATOM 687 CD2 LEU A 43 -9.612 -1.640 -0.743 1.00 0.50 C ATOM 0 H LEU A 43 -9.479 -1.908 3.715 1.00 0.50 H new ATOM 0 HA LEU A 43 -7.780 -1.297 1.388 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -10.518 -0.381 2.314 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -9.669 0.361 0.973 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.282 -2.600 1.041 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.253 -2.105 -0.354 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -12.395 -1.388 1.268 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -11.972 -0.363 -0.124 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.043 -2.392 -1.405 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -9.677 -0.660 -1.216 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -8.567 -1.882 -0.551 1.00 0.50 H new ATOM 699 N ILE A 44 -6.760 0.792 2.281 1.00 0.52 N ATOM 700 CA ILE A 44 -6.096 1.958 2.843 1.00 0.57 C ATOM 701 C ILE A 44 -6.113 3.116 1.854 1.00 0.53 C ATOM 702 O ILE A 44 -5.790 2.944 0.676 1.00 0.52 O ATOM 703 CB ILE A 44 -4.636 1.639 3.241 1.00 0.65 C ATOM 704 CG1 ILE A 44 -4.587 0.409 4.156 1.00 0.78 C ATOM 705 CG2 ILE A 44 -3.996 2.837 3.929 1.00 0.73 C ATOM 706 CD1 ILE A 44 -3.189 0.017 4.581 1.00 0.92 C ATOM 0 H ILE A 44 -6.316 0.414 1.444 1.00 0.52 H new ATOM 0 HA ILE A 44 -6.645 2.243 3.740 1.00 0.57 H new ATOM 0 HB ILE A 44 -4.072 1.420 2.334 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -5.185 0.606 5.046 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -5.049 -0.433 3.641 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -2.969 2.594 4.202 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -3.999 3.690 3.251 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -4.561 3.085 4.827 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -3.237 -0.861 5.226 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -2.592 -0.213 3.699 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -2.729 0.842 5.125 1.00 0.92 H new ATOM 718 N PHE A 45 -6.502 4.288 2.333 1.00 0.55 N ATOM 719 CA PHE A 45 -6.562 5.479 1.501 1.00 0.57 C ATOM 720 C PHE A 45 -5.893 6.656 2.209 1.00 0.61 C ATOM 721 O PHE A 45 -6.390 7.141 3.226 1.00 0.67 O ATOM 722 CB PHE A 45 -8.015 5.825 1.160 1.00 0.61 C ATOM 723 CG PHE A 45 -8.152 6.947 0.168 1.00 0.68 C ATOM 724 CD1 PHE A 45 -7.749 6.780 -1.149 1.00 0.76 C ATOM 725 CD2 PHE A 45 -8.681 8.171 0.550 1.00 0.83 C ATOM 726 CE1 PHE A 45 -7.870 7.808 -2.063 1.00 0.87 C ATOM 727 CE2 PHE A 45 -8.804 9.204 -0.361 1.00 0.93 C ATOM 728 CZ PHE A 45 -8.399 9.024 -1.668 1.00 0.90 C ATOM 0 H PHE A 45 -6.783 4.439 3.302 1.00 0.55 H new ATOM 0 HA PHE A 45 -6.027 5.277 0.573 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -8.507 4.938 0.762 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -8.539 6.096 2.076 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -7.335 5.833 -1.464 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -9.001 8.319 1.571 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -7.552 7.663 -3.085 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -9.217 10.152 -0.050 1.00 0.93 H new ATOM 0 HZ PHE A 45 -8.495 9.830 -2.380 1.00 0.90 H new ATOM 738 N ALA A 46 -4.750 7.085 1.670 1.00 0.68 N ATOM 739 CA ALA A 46 -3.983 8.211 2.220 1.00 0.81 C ATOM 740 C ALA A 46 -3.535 7.944 3.658 1.00 0.80 C ATOM 741 O ALA A 46 -3.268 8.872 4.421 1.00 1.25 O ATOM 742 CB ALA A 46 -4.791 9.502 2.141 1.00 0.91 C ATOM 0 H ALA A 46 -4.328 6.665 0.842 1.00 0.68 H new ATOM 0 HA ALA A 46 -3.085 8.323 1.612 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -4.205 10.324 2.553 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -5.034 9.716 1.100 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -5.712 9.390 2.713 1.00 0.91 H new ATOM 748 N GLY A 47 -3.443 6.675 4.019 1.00 0.91 N ATOM 749 CA GLY A 47 -3.029 6.315 5.360 1.00 0.94 C ATOM 750 C GLY A 47 -4.196 5.851 6.203 1.00 0.96 C ATOM 751 O GLY A 47 -4.051 4.963 7.040 1.00 1.23 O ATOM 0 H GLY A 47 -3.648 5.885 3.407 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -2.280 5.524 5.309 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -2.555 7.173 5.837 1.00 0.94 H new ATOM 755 N LYS A 48 -5.357 6.449 5.970 1.00 0.77 N ATOM 756 CA LYS A 48 -6.562 6.098 6.708 1.00 0.83 C ATOM 757 C LYS A 48 -7.153 4.805 6.169 1.00 0.71 C ATOM 758 O LYS A 48 -7.242 4.611 4.955 1.00 0.65 O ATOM 759 CB LYS A 48 -7.608 7.214 6.600 1.00 0.96 C ATOM 760 CG LYS A 48 -7.378 8.381 7.542 1.00 1.43 C ATOM 761 CD LYS A 48 -8.442 9.449 7.347 1.00 1.89 C ATOM 762 CE LYS A 48 -8.280 10.592 8.333 1.00 2.45 C ATOM 763 NZ LYS A 48 -9.301 11.655 8.123 1.00 3.10 N ATOM 0 H LYS A 48 -5.489 7.182 5.273 1.00 0.77 H new ATOM 0 HA LYS A 48 -6.289 5.965 7.755 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.620 7.586 5.576 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.594 6.792 6.797 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -7.393 8.030 8.574 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -6.391 8.808 7.365 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -8.387 9.836 6.330 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -9.430 9.004 7.465 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -8.359 10.208 9.350 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -7.283 11.021 8.231 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -9.156 12.417 8.816 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -9.209 12.039 7.161 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -10.252 11.252 8.245 1.00 3.10 H new ATOM 777 N GLN A 49 -7.540 3.914 7.064 1.00 0.76 N ATOM 778 CA GLN A 49 -8.133 2.658 6.655 1.00 0.69 C ATOM 779 C GLN A 49 -9.630 2.857 6.446 1.00 0.66 C ATOM 780 O GLN A 49 -10.267 3.639 7.159 1.00 0.79 O ATOM 781 CB GLN A 49 -7.861 1.551 7.688 1.00 0.81 C ATOM 782 CG GLN A 49 -8.924 1.421 8.771 1.00 1.02 C ATOM 783 CD GLN A 49 -8.685 0.231 9.683 1.00 1.26 C ATOM 784 OE1 GLN A 49 -8.055 -0.752 9.291 1.00 1.53 O ATOM 785 NE2 GLN A 49 -9.208 0.300 10.898 1.00 1.76 N ATOM 0 H GLN A 49 -7.454 4.037 8.073 1.00 0.76 H new ATOM 0 HA GLN A 49 -7.679 2.338 5.717 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -7.774 0.598 7.166 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -6.899 1.743 8.163 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.943 2.333 9.367 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -9.904 1.325 8.304 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -9.723 1.132 11.185 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -9.095 -0.479 11.547 1.00 1.76 H new ATOM 794 N LEU A 50 -10.178 2.183 5.455 1.00 0.54 N ATOM 795 CA LEU A 50 -11.596 2.295 5.172 1.00 0.55 C ATOM 796 C LEU A 50 -12.373 1.318 6.038 1.00 0.60 C ATOM 797 O LEU A 50 -12.525 0.146 5.691 1.00 0.60 O ATOM 798 CB LEU A 50 -11.879 2.035 3.690 1.00 0.50 C ATOM 799 CG LEU A 50 -11.106 2.918 2.707 1.00 0.47 C ATOM 800 CD1 LEU A 50 -11.575 2.666 1.287 1.00 0.46 C ATOM 801 CD2 LEU A 50 -11.264 4.388 3.059 1.00 0.51 C ATOM 0 H LEU A 50 -9.667 1.555 4.835 1.00 0.54 H new ATOM 0 HA LEU A 50 -11.917 3.311 5.403 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -11.650 0.992 3.472 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -12.946 2.171 3.512 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.049 2.660 2.779 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.015 3.302 0.601 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -11.409 1.620 1.029 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -12.638 2.895 1.209 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -10.706 4.995 2.346 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -12.319 4.660 3.020 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -10.881 4.565 4.064 1.00 0.51 H new ATOM 813 N GLU A 51 -12.831 1.804 7.182 1.00 0.70 N ATOM 814 CA GLU A 51 -13.591 0.987 8.114 1.00 0.78 C ATOM 815 C GLU A 51 -14.974 0.686 7.548 1.00 0.76 C ATOM 816 O GLU A 51 -15.436 1.363 6.632 1.00 0.77 O ATOM 817 CB GLU A 51 -13.709 1.694 9.464 1.00 0.91 C ATOM 818 CG GLU A 51 -12.403 2.301 9.952 1.00 0.97 C ATOM 819 CD GLU A 51 -12.432 2.655 11.423 1.00 1.13 C ATOM 820 OE1 GLU A 51 -13.136 3.616 11.796 1.00 1.41 O ATOM 821 OE2 GLU A 51 -11.754 1.967 12.213 1.00 1.68 O ATOM 0 H GLU A 51 -12.688 2.766 7.488 1.00 0.70 H new ATOM 0 HA GLU A 51 -13.065 0.044 8.261 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -14.459 2.481 9.388 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -14.069 0.982 10.207 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -11.590 1.598 9.769 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -12.186 3.198 9.372 1.00 0.97 H new ATOM 828 N ASP A 52 -15.628 -0.318 8.108 1.00 0.79 N ATOM 829 CA ASP A 52 -16.952 -0.731 7.646 1.00 0.81 C ATOM 830 C ASP A 52 -17.982 0.374 7.840 1.00 0.89 C ATOM 831 O ASP A 52 -18.758 0.678 6.933 1.00 0.95 O ATOM 832 CB ASP A 52 -17.411 -1.990 8.384 1.00 0.90 C ATOM 833 CG ASP A 52 -16.400 -3.114 8.310 1.00 1.29 C ATOM 834 OD1 ASP A 52 -16.191 -3.666 7.210 1.00 1.69 O ATOM 835 OD2 ASP A 52 -15.812 -3.455 9.357 1.00 1.74 O ATOM 0 H ASP A 52 -15.265 -0.867 8.887 1.00 0.79 H new ATOM 0 HA ASP A 52 -16.871 -0.944 6.580 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -17.599 -1.745 9.429 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -18.357 -2.329 7.961 1.00 0.90 H new ATOM 840 N GLY A 53 -17.973 0.985 9.018 1.00 0.95 N ATOM 841 CA GLY A 53 -18.923 2.041 9.322 1.00 1.05 C ATOM 842 C GLY A 53 -18.519 3.388 8.758 1.00 1.07 C ATOM 843 O GLY A 53 -18.580 4.404 9.451 1.00 1.28 O ATOM 0 H GLY A 53 -17.322 0.768 9.772 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -19.901 1.767 8.925 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -19.030 2.124 10.404 1.00 1.05 H new ATOM 847 N ARG A 54 -18.100 3.399 7.501 1.00 0.96 N ATOM 848 CA ARG A 54 -17.690 4.624 6.835 1.00 0.99 C ATOM 849 C ARG A 54 -18.297 4.674 5.441 1.00 0.95 C ATOM 850 O ARG A 54 -18.646 3.635 4.870 1.00 0.90 O ATOM 851 CB ARG A 54 -16.160 4.709 6.734 1.00 0.99 C ATOM 852 CG ARG A 54 -15.427 4.497 8.051 1.00 1.14 C ATOM 853 CD ARG A 54 -15.353 5.772 8.876 1.00 1.26 C ATOM 854 NE ARG A 54 -14.517 5.597 10.066 1.00 1.42 N ATOM 855 CZ ARG A 54 -13.943 6.596 10.737 1.00 1.73 C ATOM 856 NH1 ARG A 54 -14.107 7.856 10.349 1.00 1.94 N ATOM 857 NH2 ARG A 54 -13.200 6.321 11.802 1.00 1.92 N ATOM 0 H ARG A 54 -18.035 2.564 6.918 1.00 0.96 H new ATOM 0 HA ARG A 54 -18.044 5.471 7.423 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -15.814 3.965 6.017 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -15.889 5.686 6.335 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -15.933 3.722 8.627 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -14.418 4.137 7.850 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -14.951 6.579 8.264 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -16.357 6.070 9.177 1.00 1.26 H new ATOM 0 HE ARG A 54 -14.364 4.647 10.404 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -14.677 8.067 9.530 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -13.663 8.612 10.870 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -13.073 5.354 12.099 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -12.756 7.077 12.323 1.00 1.92 H new ATOM 871 N THR A 55 -18.427 5.871 4.897 1.00 0.99 N ATOM 872 CA THR A 55 -18.983 6.048 3.567 1.00 1.00 C ATOM 873 C THR A 55 -17.997 6.798 2.678 1.00 0.95 C ATOM 874 O THR A 55 -17.084 7.461 3.177 1.00 0.93 O ATOM 875 CB THR A 55 -20.324 6.812 3.621 1.00 1.11 C ATOM 876 OG1 THR A 55 -20.591 7.238 4.966 1.00 1.31 O ATOM 877 CG2 THR A 55 -21.468 5.937 3.128 1.00 1.07 C ATOM 0 H THR A 55 -18.154 6.739 5.358 1.00 0.99 H new ATOM 0 HA THR A 55 -19.167 5.059 3.147 1.00 1.00 H new ATOM 0 HB THR A 55 -20.246 7.683 2.970 1.00 1.11 H new ATOM 0 HG1 THR A 55 -21.442 7.723 4.993 1.00 1.31 H new ATOM 0 HG21 THR A 55 -22.402 6.498 3.176 1.00 1.07 H new ATOM 0 HG22 THR A 55 -21.278 5.636 2.098 1.00 1.07 H new ATOM 0 HG23 THR A 55 -21.545 5.050 3.757 1.00 1.07 H new ATOM 885 N LEU A 56 -18.179 6.690 1.369 1.00 0.98 N ATOM 886 CA LEU A 56 -17.299 7.360 0.415 1.00 0.95 C ATOM 887 C LEU A 56 -17.367 8.874 0.589 1.00 0.96 C ATOM 888 O LEU A 56 -16.341 9.558 0.587 1.00 0.95 O ATOM 889 CB LEU A 56 -17.673 6.974 -1.015 1.00 1.02 C ATOM 890 CG LEU A 56 -17.604 5.476 -1.315 1.00 1.06 C ATOM 891 CD1 LEU A 56 -18.169 5.187 -2.690 1.00 1.39 C ATOM 892 CD2 LEU A 56 -16.173 4.968 -1.210 1.00 0.84 C ATOM 0 H LEU A 56 -18.928 6.145 0.941 1.00 0.98 H new ATOM 0 HA LEU A 56 -16.276 7.038 0.609 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -18.685 7.324 -1.218 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -17.010 7.499 -1.703 1.00 1.02 H new ATOM 0 HG LEU A 56 -18.206 4.951 -0.573 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.113 4.117 -2.889 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -19.209 5.510 -2.731 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -17.592 5.726 -3.441 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -16.149 3.900 -1.428 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -15.545 5.498 -1.926 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -15.799 5.141 -0.201 1.00 0.84 H new ATOM 904 N SER A 57 -18.578 9.387 0.758 1.00 1.01 N ATOM 905 CA SER A 57 -18.783 10.814 0.948 1.00 1.06 C ATOM 906 C SER A 57 -18.275 11.253 2.321 1.00 1.03 C ATOM 907 O SER A 57 -17.862 12.399 2.505 1.00 1.06 O ATOM 908 CB SER A 57 -20.265 11.146 0.810 1.00 1.15 C ATOM 909 OG SER A 57 -20.869 10.356 -0.200 1.00 1.11 O ATOM 0 H SER A 57 -19.435 8.833 0.767 1.00 1.01 H new ATOM 0 HA SER A 57 -18.221 11.351 0.184 1.00 1.06 H new ATOM 0 HB2 SER A 57 -20.770 10.976 1.761 1.00 1.15 H new ATOM 0 HB3 SER A 57 -20.384 12.203 0.571 1.00 1.15 H new ATOM 0 HG SER A 57 -21.783 10.126 0.068 1.00 1.11 H new ATOM 915 N ASP A 58 -18.295 10.327 3.275 1.00 1.00 N ATOM 916 CA ASP A 58 -17.842 10.603 4.640 1.00 0.99 C ATOM 917 C ASP A 58 -16.356 10.948 4.652 1.00 0.96 C ATOM 918 O ASP A 58 -15.921 11.868 5.347 1.00 1.03 O ATOM 919 CB ASP A 58 -18.116 9.390 5.536 1.00 1.03 C ATOM 920 CG ASP A 58 -17.656 9.587 6.966 1.00 1.13 C ATOM 921 OD1 ASP A 58 -18.069 10.581 7.602 1.00 1.81 O ATOM 922 OD2 ASP A 58 -16.893 8.734 7.470 1.00 1.23 O ATOM 0 H ASP A 58 -18.622 9.372 3.129 1.00 1.00 H new ATOM 0 HA ASP A 58 -18.394 11.460 5.026 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -19.185 9.177 5.531 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -17.615 8.517 5.117 1.00 1.03 H new ATOM 927 N TYR A 59 -15.585 10.215 3.858 1.00 0.88 N ATOM 928 CA TYR A 59 -14.148 10.446 3.764 1.00 0.87 C ATOM 929 C TYR A 59 -13.836 11.530 2.739 1.00 0.91 C ATOM 930 O TYR A 59 -12.676 11.909 2.564 1.00 0.95 O ATOM 931 CB TYR A 59 -13.420 9.157 3.380 1.00 0.83 C ATOM 932 CG TYR A 59 -13.043 8.284 4.556 1.00 0.82 C ATOM 933 CD1 TYR A 59 -12.352 8.804 5.643 1.00 0.94 C ATOM 934 CD2 TYR A 59 -13.372 6.934 4.572 1.00 0.90 C ATOM 935 CE1 TYR A 59 -11.994 8.002 6.712 1.00 1.07 C ATOM 936 CE2 TYR A 59 -13.020 6.128 5.638 1.00 1.03 C ATOM 937 CZ TYR A 59 -12.332 6.665 6.704 1.00 1.09 C ATOM 938 OH TYR A 59 -11.972 5.861 7.762 1.00 1.31 O ATOM 0 H TYR A 59 -15.930 9.456 3.270 1.00 0.88 H new ATOM 0 HA TYR A 59 -13.801 10.776 4.743 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -14.054 8.583 2.704 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -12.516 9.414 2.828 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -12.090 9.852 5.654 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -13.911 6.508 3.739 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -11.453 8.421 7.548 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -13.283 5.081 5.635 1.00 1.03 H new ATOM 0 HH TYR A 59 -11.406 5.129 7.439 1.00 1.31 H new ATOM 948 N ASN A 60 -14.881 12.033 2.074 1.00 0.95 N ATOM 949 CA ASN A 60 -14.736 13.067 1.043 1.00 1.02 C ATOM 950 C ASN A 60 -13.839 12.554 -0.082 1.00 0.96 C ATOM 951 O ASN A 60 -12.927 13.244 -0.541 1.00 1.00 O ATOM 952 CB ASN A 60 -14.163 14.361 1.645 1.00 1.15 C ATOM 953 CG ASN A 60 -14.467 15.588 0.802 1.00 1.19 C ATOM 954 OD1 ASN A 60 -13.700 15.958 -0.086 1.00 1.24 O ATOM 955 ND2 ASN A 60 -15.586 16.235 1.079 1.00 1.44 N ATOM 0 H ASN A 60 -15.844 11.738 2.233 1.00 0.95 H new ATOM 0 HA ASN A 60 -15.720 13.295 0.634 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -14.572 14.503 2.645 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -13.083 14.259 1.753 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -15.837 17.070 0.549 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -16.198 15.899 1.822 1.00 1.44 H new ATOM 962 N ILE A 61 -14.105 11.328 -0.511 1.00 0.88 N ATOM 963 CA ILE A 61 -13.328 10.693 -1.564 1.00 0.85 C ATOM 964 C ILE A 61 -13.720 11.225 -2.940 1.00 0.99 C ATOM 965 O ILE A 61 -14.896 11.213 -3.314 1.00 1.14 O ATOM 966 CB ILE A 61 -13.496 9.155 -1.527 1.00 0.77 C ATOM 967 CG1 ILE A 61 -12.966 8.609 -0.202 1.00 0.75 C ATOM 968 CG2 ILE A 61 -12.778 8.501 -2.699 1.00 0.81 C ATOM 969 CD1 ILE A 61 -13.197 7.126 -0.016 1.00 0.75 C ATOM 0 H ILE A 61 -14.860 10.750 -0.142 1.00 0.88 H new ATOM 0 HA ILE A 61 -12.281 10.936 -1.385 1.00 0.85 H new ATOM 0 HB ILE A 61 -14.557 8.918 -1.611 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -11.897 8.811 -0.138 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -13.442 9.147 0.618 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -12.911 7.420 -2.650 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -13.193 8.876 -3.635 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -11.715 8.738 -2.653 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -12.794 6.813 0.947 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -14.266 6.918 -0.046 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -12.698 6.577 -0.814 1.00 0.75 H new ATOM 981 N GLN A 62 -12.725 11.712 -3.678 1.00 1.02 N ATOM 982 CA GLN A 62 -12.941 12.246 -5.014 1.00 1.19 C ATOM 983 C GLN A 62 -13.143 11.112 -6.014 1.00 0.99 C ATOM 984 O GLN A 62 -12.786 9.965 -5.742 1.00 0.93 O ATOM 985 CB GLN A 62 -11.750 13.111 -5.427 1.00 1.46 C ATOM 986 CG GLN A 62 -12.130 14.531 -5.814 1.00 1.94 C ATOM 987 CD GLN A 62 -12.540 14.650 -7.268 1.00 1.99 C ATOM 988 OE1 GLN A 62 -13.704 14.447 -7.615 1.00 2.30 O ATOM 989 NE2 GLN A 62 -11.589 14.984 -8.126 1.00 2.35 N ATOM 0 H GLN A 62 -11.754 11.746 -3.367 1.00 1.02 H new ATOM 0 HA GLN A 62 -13.840 12.862 -5.006 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -11.036 13.147 -4.604 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -11.243 12.638 -6.268 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -12.950 14.869 -5.180 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -11.286 15.194 -5.623 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -10.637 15.143 -7.796 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -11.808 15.082 -9.117 1.00 2.35 H new ATOM 998 N LYS A 63 -13.713 11.434 -7.166 1.00 1.00 N ATOM 999 CA LYS A 63 -13.967 10.441 -8.198 1.00 0.98 C ATOM 1000 C LYS A 63 -12.659 9.992 -8.845 1.00 0.88 C ATOM 1001 O LYS A 63 -11.704 10.768 -8.929 1.00 0.95 O ATOM 1002 CB LYS A 63 -14.925 11.010 -9.251 1.00 1.20 C ATOM 1003 CG LYS A 63 -14.320 12.115 -10.103 1.00 1.20 C ATOM 1004 CD LYS A 63 -15.347 12.739 -11.033 1.00 1.48 C ATOM 1005 CE LYS A 63 -14.679 13.447 -12.199 1.00 1.48 C ATOM 1006 NZ LYS A 63 -14.522 12.557 -13.378 1.00 2.15 N ATOM 0 H LYS A 63 -14.009 12.379 -7.410 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.433 9.570 -7.738 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -15.254 10.201 -9.903 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.812 11.396 -8.749 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -13.901 12.885 -9.455 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -13.496 11.710 -10.691 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -16.016 11.966 -11.410 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -15.960 13.448 -10.477 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -15.270 14.319 -12.480 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -13.700 13.812 -11.888 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -14.337 13.132 -14.225 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -13.725 11.908 -13.219 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -15.394 12.007 -13.516 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.627 8.731 -9.285 1.00 0.94 N ATOM 1021 CA GLU A 64 -11.445 8.146 -9.927 1.00 1.00 C ATOM 1022 C GLU A 64 -10.222 8.218 -9.016 1.00 0.85 C ATOM 1023 O GLU A 64 -9.118 8.544 -9.458 1.00 0.96 O ATOM 1024 CB GLU A 64 -11.147 8.833 -11.262 1.00 1.26 C ATOM 1025 CG GLU A 64 -12.120 8.473 -12.367 1.00 1.51 C ATOM 1026 CD GLU A 64 -13.159 9.545 -12.603 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -12.906 10.451 -13.424 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -14.236 9.485 -11.980 1.00 1.88 O ATOM 0 H GLU A 64 -13.416 8.089 -9.207 1.00 0.94 H new ATOM 0 HA GLU A 64 -11.668 7.096 -10.117 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -11.162 9.913 -11.115 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -10.138 8.568 -11.579 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -11.567 8.300 -13.290 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -12.620 7.538 -12.115 1.00 1.51 H new ATOM 1035 N SER A 65 -10.425 7.891 -7.749 1.00 0.78 N ATOM 1036 CA SER A 65 -9.361 7.927 -6.761 1.00 0.83 C ATOM 1037 C SER A 65 -8.528 6.647 -6.785 1.00 0.73 C ATOM 1038 O SER A 65 -8.990 5.597 -7.242 1.00 0.73 O ATOM 1039 CB SER A 65 -9.978 8.133 -5.379 1.00 1.02 C ATOM 1040 OG SER A 65 -11.342 7.744 -5.384 1.00 1.05 O ATOM 0 H SER A 65 -11.328 7.595 -7.379 1.00 0.78 H new ATOM 0 HA SER A 65 -8.690 8.753 -6.998 1.00 0.83 H new ATOM 0 HB2 SER A 65 -9.430 7.551 -4.638 1.00 1.02 H new ATOM 0 HB3 SER A 65 -9.893 9.180 -5.088 1.00 1.02 H new ATOM 0 HG SER A 65 -11.898 8.504 -5.654 1.00 1.05 H new ATOM 1046 N THR A 66 -7.297 6.746 -6.298 1.00 0.74 N ATOM 1047 CA THR A 66 -6.393 5.613 -6.250 1.00 0.70 C ATOM 1048 C THR A 66 -6.390 4.977 -4.858 1.00 0.61 C ATOM 1049 O THR A 66 -5.833 5.531 -3.910 1.00 0.65 O ATOM 1050 CB THR A 66 -4.962 6.045 -6.623 1.00 0.82 C ATOM 1051 OG1 THR A 66 -4.998 6.876 -7.793 1.00 1.03 O ATOM 1052 CG2 THR A 66 -4.081 4.833 -6.880 1.00 1.01 C ATOM 0 H THR A 66 -6.903 7.611 -5.928 1.00 0.74 H new ATOM 0 HA THR A 66 -6.743 4.877 -6.973 1.00 0.70 H new ATOM 0 HB THR A 66 -4.541 6.606 -5.789 1.00 0.82 H new ATOM 0 HG1 THR A 66 -4.087 7.151 -8.027 1.00 1.03 H new ATOM 0 HG21 THR A 66 -3.076 5.163 -7.142 1.00 1.01 H new ATOM 0 HG22 THR A 66 -4.039 4.217 -5.982 1.00 1.01 H new ATOM 0 HG23 THR A 66 -4.496 4.249 -7.701 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.037 3.827 -4.742 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.111 3.102 -3.480 1.00 0.52 C ATOM 1062 C LEU A 67 -6.129 1.939 -3.497 1.00 0.51 C ATOM 1063 O LEU A 67 -5.663 1.534 -4.562 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.531 2.573 -3.244 1.00 0.51 C ATOM 1065 CG LEU A 67 -9.522 3.566 -2.625 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -9.865 4.678 -3.604 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -10.784 2.841 -2.182 1.00 0.69 C ATOM 0 H LEU A 67 -7.523 3.371 -5.514 1.00 0.56 H new ATOM 0 HA LEU A 67 -6.854 3.786 -2.671 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -8.935 2.234 -4.198 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -8.469 1.699 -2.595 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.051 4.019 -1.753 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -10.569 5.368 -3.139 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -8.957 5.216 -3.877 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.315 4.249 -4.499 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -11.480 3.557 -1.744 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.250 2.362 -3.043 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -10.528 2.084 -1.441 1.00 0.69 H new ATOM 1079 N HIS A 68 -5.808 1.398 -2.332 1.00 0.51 N ATOM 1080 CA HIS A 68 -4.881 0.278 -2.258 1.00 0.57 C ATOM 1081 C HIS A 68 -5.443 -0.841 -1.393 1.00 0.49 C ATOM 1082 O HIS A 68 -5.895 -0.606 -0.271 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.524 0.734 -1.717 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.389 -0.119 -2.188 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.925 -1.218 -1.494 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -1.626 -0.033 -3.302 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.928 -1.770 -2.164 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -0.727 -1.069 -3.266 1.00 1.66 N ATOM 0 H HIS A 68 -6.171 1.712 -1.432 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.743 -0.107 -3.268 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -3.346 1.766 -2.021 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.551 0.723 -0.627 1.00 0.68 H new ATOM 0 HD2 HIS A 68 -1.709 0.714 -4.077 1.00 1.50 H new ATOM 0 HE1 HIS A 68 -0.372 -2.645 -1.862 1.00 1.40 H new ATOM 0 HE2 HIS A 68 -0.019 -1.266 -3.974 1.00 1.66 H new ATOM 1097 N LEU A 69 -5.411 -2.055 -1.927 1.00 0.54 N ATOM 1098 CA LEU A 69 -5.906 -3.226 -1.217 1.00 0.52 C ATOM 1099 C LEU A 69 -4.752 -3.977 -0.570 1.00 0.61 C ATOM 1100 O LEU A 69 -3.792 -4.359 -1.244 1.00 0.72 O ATOM 1101 CB LEU A 69 -6.659 -4.153 -2.172 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.217 -5.435 -1.541 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.328 -5.108 -0.556 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -7.726 -6.384 -2.617 1.00 0.84 C ATOM 0 H LEU A 69 -5.044 -2.255 -2.858 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.592 -2.891 -0.439 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -7.485 -3.597 -2.615 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -5.989 -4.431 -2.986 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.409 -5.927 -0.999 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.710 -6.031 -0.119 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.937 -4.468 0.234 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -9.135 -4.591 -1.076 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -8.118 -7.287 -2.150 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -8.518 -5.897 -3.186 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -6.907 -6.648 -3.287 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.839 -4.158 0.739 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.812 -4.865 1.493 1.00 0.79 C ATOM 1118 C VAL A 70 -4.454 -5.959 2.342 1.00 0.76 C ATOM 1119 O VAL A 70 -5.675 -5.988 2.506 1.00 0.70 O ATOM 1120 CB VAL A 70 -3.013 -3.904 2.414 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -1.612 -4.443 2.673 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -2.938 -2.508 1.816 1.00 1.10 C ATOM 0 H VAL A 70 -5.617 -3.822 1.306 1.00 0.64 H new ATOM 0 HA VAL A 70 -3.119 -5.305 0.776 1.00 0.79 H new ATOM 0 HB VAL A 70 -3.542 -3.840 3.365 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -1.071 -3.753 3.321 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -1.681 -5.417 3.157 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -1.081 -4.545 1.727 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -2.373 -1.857 2.482 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -2.442 -2.554 0.846 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -3.946 -2.112 1.690 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.632 -6.859 2.863 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.117 -7.948 3.696 1.00 0.85 C ATOM 1134 C LEU A 71 -3.849 -7.632 5.164 1.00 0.87 C ATOM 1135 O LEU A 71 -3.765 -6.465 5.547 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.447 -9.269 3.295 1.00 0.95 C ATOM 1137 CG LEU A 71 -3.825 -9.797 1.908 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -2.887 -9.255 0.840 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -3.818 -11.317 1.897 1.00 1.37 C ATOM 0 H LEU A 71 -2.622 -6.855 2.722 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.192 -8.056 3.550 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -2.366 -9.136 3.333 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.701 -10.027 4.036 1.00 0.95 H new ATOM 0 HG LEU A 71 -4.833 -9.450 1.680 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -3.180 -9.647 -0.134 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.943 -8.167 0.825 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -1.865 -9.563 1.063 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.089 -11.675 0.904 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -2.822 -11.678 2.154 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -4.538 -11.689 2.626 1.00 1.37 H new ATOM 1151 N ARG A 72 -3.712 -8.662 5.986 1.00 1.17 N ATOM 1152 CA ARG A 72 -3.457 -8.465 7.405 1.00 1.21 C ATOM 1153 C ARG A 72 -2.211 -9.225 7.848 1.00 1.35 C ATOM 1154 O ARG A 72 -2.084 -10.425 7.595 1.00 1.52 O ATOM 1155 CB ARG A 72 -4.670 -8.896 8.240 1.00 1.30 C ATOM 1156 CG ARG A 72 -5.512 -9.993 7.601 1.00 1.46 C ATOM 1157 CD ARG A 72 -5.500 -11.267 8.431 1.00 1.36 C ATOM 1158 NE ARG A 72 -4.190 -11.920 8.419 1.00 1.51 N ATOM 1159 CZ ARG A 72 -3.971 -13.162 8.841 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -4.980 -13.917 9.260 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -2.735 -13.656 8.825 1.00 1.99 N ATOM 0 H ARG A 72 -3.773 -9.638 5.697 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.284 -7.401 7.568 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -4.322 -9.241 9.214 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -5.302 -8.026 8.418 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -6.538 -9.644 7.486 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -5.134 -10.206 6.601 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -5.778 -11.032 9.458 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -6.252 -11.956 8.047 1.00 1.36 H new ATOM 0 HE ARG A 72 -3.395 -11.389 8.064 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -5.930 -13.545 9.259 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -4.805 -14.869 9.582 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -1.961 -13.082 8.490 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -2.562 -14.608 9.148 1.00 1.99 H new ATOM 1175 N LEU A 73 -1.285 -8.519 8.484 1.00 1.36 N ATOM 1176 CA LEU A 73 -0.050 -9.125 8.971 1.00 1.55 C ATOM 1177 C LEU A 73 -0.328 -10.047 10.155 1.00 1.62 C ATOM 1178 O LEU A 73 0.304 -11.098 10.304 1.00 1.83 O ATOM 1179 CB LEU A 73 0.950 -8.039 9.383 1.00 1.60 C ATOM 1180 CG LEU A 73 2.354 -8.537 9.745 1.00 1.89 C ATOM 1181 CD1 LEU A 73 3.062 -9.096 8.518 1.00 2.09 C ATOM 1182 CD2 LEU A 73 3.170 -7.414 10.372 1.00 1.97 C ATOM 0 H LEU A 73 -1.366 -7.520 8.676 1.00 1.36 H new ATOM 0 HA LEU A 73 0.378 -9.717 8.162 1.00 1.55 H new ATOM 0 HB2 LEU A 73 1.037 -7.322 8.567 1.00 1.60 H new ATOM 0 HB3 LEU A 73 0.543 -7.500 10.239 1.00 1.60 H new ATOM 0 HG LEU A 73 2.256 -9.341 10.474 1.00 1.89 H new ATOM 0 HD11 LEU A 73 4.056 -9.443 8.798 1.00 2.09 H new ATOM 0 HD12 LEU A 73 2.487 -9.929 8.114 1.00 2.09 H new ATOM 0 HD13 LEU A 73 3.150 -8.316 7.762 1.00 2.09 H new ATOM 0 HD21 LEU A 73 4.164 -7.783 10.623 1.00 1.97 H new ATOM 0 HD22 LEU A 73 3.257 -6.589 9.665 1.00 1.97 H new ATOM 0 HD23 LEU A 73 2.673 -7.065 11.277 1.00 1.97 H new ATOM 1194 N ARG A 74 -1.269 -9.648 10.996 1.00 1.51 N ATOM 1195 CA ARG A 74 -1.632 -10.435 12.165 1.00 1.62 C ATOM 1196 C ARG A 74 -3.087 -10.872 12.078 1.00 1.56 C ATOM 1197 O ARG A 74 -3.926 -10.138 11.558 1.00 1.63 O ATOM 1198 CB ARG A 74 -1.373 -9.635 13.446 1.00 1.72 C ATOM 1199 CG ARG A 74 0.105 -9.522 13.779 1.00 1.87 C ATOM 1200 CD ARG A 74 0.386 -8.462 14.832 1.00 2.28 C ATOM 1201 NE ARG A 74 1.821 -8.346 15.102 1.00 2.26 N ATOM 1202 CZ ARG A 74 2.394 -7.320 15.736 1.00 2.65 C ATOM 1203 NH1 ARG A 74 1.662 -6.314 16.196 1.00 3.32 N ATOM 1204 NH2 ARG A 74 3.711 -7.301 15.910 1.00 2.70 N ATOM 0 H ARG A 74 -1.797 -8.782 10.891 1.00 1.51 H new ATOM 0 HA ARG A 74 -1.011 -11.331 12.193 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -1.794 -8.635 13.336 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -1.893 -10.110 14.278 1.00 1.72 H new ATOM 0 HG2 ARG A 74 0.469 -10.486 14.133 1.00 1.87 H new ATOM 0 HG3 ARG A 74 0.661 -9.285 12.872 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -0.002 -7.500 14.495 1.00 2.28 H new ATOM 0 HD3 ARG A 74 -0.140 -8.713 15.753 1.00 2.28 H new ATOM 0 HE ARG A 74 2.426 -9.103 14.783 1.00 2.26 H new ATOM 0 HH11 ARG A 74 0.650 -6.319 16.067 1.00 3.32 H new ATOM 0 HH12 ARG A 74 2.111 -5.536 16.679 1.00 3.32 H new ATOM 0 HH21 ARG A 74 4.283 -8.069 15.559 1.00 2.70 H new ATOM 0 HH22 ARG A 74 4.150 -6.518 16.394 1.00 2.70 H new ATOM 1218 N GLY A 75 -3.367 -12.081 12.556 1.00 1.69 N ATOM 1219 CA GLY A 75 -4.718 -12.610 12.518 1.00 1.67 C ATOM 1220 C GLY A 75 -5.686 -11.838 13.393 1.00 1.77 C ATOM 1221 O GLY A 75 -6.573 -11.151 12.888 1.00 2.16 O ATOM 0 H GLY A 75 -2.677 -12.707 12.971 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -5.078 -12.596 11.489 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -4.702 -13.652 12.836 1.00 1.67 H new ATOM 1225 N GLY A 76 -5.523 -11.952 14.699 1.00 1.73 N ATOM 1226 CA GLY A 76 -6.401 -11.256 15.610 1.00 1.91 C ATOM 1227 C GLY A 76 -5.702 -10.088 16.257 1.00 2.25 C ATOM 1228 O GLY A 76 -4.496 -10.214 16.558 1.00 2.51 O ATOM 1229 OXT GLY A 76 -6.341 -9.033 16.452 1.00 2.58 O ATOM 0 H GLY A 76 -4.798 -12.514 15.145 1.00 1.73 H new ATOM 0 HA2 GLY A 76 -7.281 -10.904 15.073 1.00 1.91 H new ATOM 0 HA3 GLY A 76 -6.751 -11.945 16.379 1.00 1.91 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 31.291 -2.619 4.045 1.00 7.89 N ATOM 1235 CA ALA B 49 29.916 -2.480 3.516 1.00 7.38 C ATOM 1236 C ALA B 49 29.947 -2.229 2.017 1.00 6.19 C ATOM 1237 O ALA B 49 30.968 -1.798 1.480 1.00 6.01 O ATOM 1238 CB ALA B 49 29.179 -1.359 4.232 1.00 8.29 C ATOM 0 HA ALA B 49 29.380 -3.412 3.698 1.00 7.38 H new ATOM 0 HB1 ALA B 49 28.170 -1.272 3.829 1.00 8.29 H new ATOM 0 HB2 ALA B 49 29.127 -1.581 5.298 1.00 8.29 H new ATOM 0 HB3 ALA B 49 29.712 -0.420 4.082 1.00 8.29 H new ATOM 1246 N ASN B 50 28.827 -2.514 1.353 1.00 5.55 N ATOM 1247 CA ASN B 50 28.701 -2.327 -0.092 1.00 4.48 C ATOM 1248 C ASN B 50 29.722 -3.173 -0.840 1.00 4.51 C ATOM 1249 O ASN B 50 30.579 -2.650 -1.554 1.00 3.94 O ATOM 1250 CB ASN B 50 28.848 -0.851 -0.481 1.00 3.80 C ATOM 1251 CG ASN B 50 27.530 -0.103 -0.436 1.00 3.32 C ATOM 1252 OD1 ASN B 50 26.461 -0.693 -0.589 1.00 3.27 O ATOM 1253 ND2 ASN B 50 27.598 1.208 -0.249 1.00 3.32 N ATOM 0 H ASN B 50 27.985 -2.879 1.799 1.00 5.55 H new ATOM 0 HA ASN B 50 27.701 -2.654 -0.377 1.00 4.48 H new ATOM 0 HB2 ASN B 50 29.558 -0.370 0.192 1.00 3.80 H new ATOM 0 HB3 ASN B 50 29.266 -0.784 -1.485 1.00 3.80 H new ATOM 0 HD21 ASN B 50 26.744 1.765 -0.228 1.00 3.32 H new ATOM 0 HD22 ASN B 50 28.504 1.659 -0.126 1.00 3.32 H new ATOM 1260 N GLN B 51 29.618 -4.487 -0.679 1.00 5.34 N ATOM 1261 CA GLN B 51 30.530 -5.413 -1.340 1.00 5.73 C ATOM 1262 C GLN B 51 30.170 -5.529 -2.814 1.00 5.61 C ATOM 1263 O GLN B 51 30.968 -5.986 -3.627 1.00 5.77 O ATOM 1264 CB GLN B 51 30.480 -6.793 -0.676 1.00 6.81 C ATOM 1265 CG GLN B 51 30.702 -6.762 0.831 1.00 7.14 C ATOM 1266 CD GLN B 51 32.001 -6.084 1.227 1.00 7.49 C ATOM 1267 OE1 GLN B 51 32.039 -4.878 1.472 1.00 7.06 O ATOM 1268 NE2 GLN B 51 33.071 -6.855 1.290 1.00 8.42 N ATOM 0 H GLN B 51 28.911 -4.935 -0.096 1.00 5.34 H new ATOM 0 HA GLN B 51 31.545 -5.025 -1.247 1.00 5.73 H new ATOM 0 HB2 GLN B 51 29.512 -7.249 -0.881 1.00 6.81 H new ATOM 0 HB3 GLN B 51 31.236 -7.432 -1.132 1.00 6.81 H new ATOM 0 HG2 GLN B 51 29.869 -6.243 1.304 1.00 7.14 H new ATOM 0 HG3 GLN B 51 30.700 -7.783 1.214 1.00 7.14 H new ATOM 0 HE21 GLN B 51 32.996 -7.850 1.079 1.00 8.42 H new ATOM 0 HE22 GLN B 51 33.973 -6.456 1.550 1.00 8.42 H new ATOM 1277 N GLN B 52 28.953 -5.112 -3.143 1.00 5.47 N ATOM 1278 CA GLN B 52 28.465 -5.151 -4.510 1.00 5.44 C ATOM 1279 C GLN B 52 27.522 -3.978 -4.759 1.00 4.52 C ATOM 1280 O GLN B 52 26.375 -3.980 -4.313 1.00 4.10 O ATOM 1281 CB GLN B 52 27.743 -6.474 -4.779 1.00 6.26 C ATOM 1282 CG GLN B 52 27.588 -6.798 -6.257 1.00 6.28 C ATOM 1283 CD GLN B 52 26.673 -7.983 -6.510 1.00 6.34 C ATOM 1284 OE1 GLN B 52 25.965 -8.027 -7.515 1.00 5.83 O ATOM 1285 NE2 GLN B 52 26.689 -8.954 -5.613 1.00 7.08 N ATOM 0 H GLN B 52 28.282 -4.740 -2.471 1.00 5.47 H new ATOM 0 HA GLN B 52 29.314 -5.074 -5.189 1.00 5.44 H new ATOM 0 HB2 GLN B 52 28.292 -7.282 -4.295 1.00 6.26 H new ATOM 0 HB3 GLN B 52 26.756 -6.439 -4.319 1.00 6.26 H new ATOM 0 HG2 GLN B 52 27.194 -5.924 -6.776 1.00 6.28 H new ATOM 0 HG3 GLN B 52 28.570 -7.006 -6.683 1.00 6.28 H new ATOM 0 HE21 GLN B 52 27.290 -8.880 -4.792 1.00 7.08 H new ATOM 0 HE22 GLN B 52 26.100 -9.777 -5.742 1.00 7.08 H new ATOM 1294 N THR B 53 28.014 -2.968 -5.454 1.00 4.33 N ATOM 1295 CA THR B 53 27.219 -1.791 -5.755 1.00 3.53 C ATOM 1296 C THR B 53 26.588 -1.892 -7.143 1.00 3.27 C ATOM 1297 O THR B 53 26.629 -0.949 -7.933 1.00 3.29 O ATOM 1298 CB THR B 53 28.073 -0.513 -5.659 1.00 3.67 C ATOM 1299 OG1 THR B 53 29.465 -0.843 -5.732 1.00 4.47 O ATOM 1300 CG2 THR B 53 27.799 0.228 -4.361 1.00 3.04 C ATOM 0 H THR B 53 28.965 -2.940 -5.822 1.00 4.33 H new ATOM 0 HA THR B 53 26.421 -1.737 -5.015 1.00 3.53 H new ATOM 0 HB THR B 53 27.806 0.133 -6.495 1.00 3.67 H new ATOM 0 HG1 THR B 53 29.999 -0.024 -5.672 1.00 4.47 H new ATOM 0 HG21 THR B 53 28.415 1.126 -4.318 1.00 3.04 H new ATOM 0 HG22 THR B 53 26.746 0.507 -4.317 1.00 3.04 H new ATOM 0 HG23 THR B 53 28.039 -0.417 -3.516 1.00 3.04 H new ATOM 1308 N SER B 54 26.004 -3.046 -7.428 1.00 3.19 N ATOM 1309 CA SER B 54 25.364 -3.285 -8.712 1.00 2.94 C ATOM 1310 C SER B 54 23.986 -2.630 -8.762 1.00 1.98 C ATOM 1311 O SER B 54 23.656 -1.917 -9.712 1.00 1.51 O ATOM 1312 CB SER B 54 25.244 -4.789 -8.942 1.00 3.63 C ATOM 1313 OG SER B 54 25.020 -5.467 -7.715 1.00 4.57 O ATOM 0 H SER B 54 25.960 -3.835 -6.783 1.00 3.19 H new ATOM 0 HA SER B 54 25.974 -2.843 -9.500 1.00 2.94 H new ATOM 0 HB2 SER B 54 24.424 -4.992 -9.631 1.00 3.63 H new ATOM 0 HB3 SER B 54 26.154 -5.164 -9.410 1.00 3.63 H new ATOM 0 HG SER B 54 25.269 -6.410 -7.812 1.00 4.57 H new ATOM 1319 N GLY B 55 23.189 -2.870 -7.729 1.00 2.06 N ATOM 1320 CA GLY B 55 21.858 -2.304 -7.669 1.00 1.62 C ATOM 1321 C GLY B 55 21.657 -1.429 -6.452 1.00 1.24 C ATOM 1322 O GLY B 55 21.544 -1.928 -5.333 1.00 1.38 O ATOM 0 H GLY B 55 23.443 -3.449 -6.929 1.00 2.06 H new ATOM 0 HA2 GLY B 55 21.675 -1.717 -8.569 1.00 1.62 H new ATOM 0 HA3 GLY B 55 21.124 -3.110 -7.659 1.00 1.62 H new ATOM 1326 N LYS B 56 21.651 -0.123 -6.670 1.00 0.94 N ATOM 1327 CA LYS B 56 21.449 0.851 -5.602 1.00 0.68 C ATOM 1328 C LYS B 56 20.478 1.927 -6.077 1.00 0.61 C ATOM 1329 O LYS B 56 20.592 2.411 -7.205 1.00 0.68 O ATOM 1330 CB LYS B 56 22.781 1.493 -5.192 1.00 0.81 C ATOM 1331 CG LYS B 56 23.846 0.499 -4.746 1.00 1.31 C ATOM 1332 CD LYS B 56 23.504 -0.142 -3.409 1.00 0.93 C ATOM 1333 CE LYS B 56 24.325 -1.400 -3.171 1.00 1.34 C ATOM 1334 NZ LYS B 56 24.254 -1.860 -1.762 1.00 1.52 N ATOM 0 H LYS B 56 21.786 0.294 -7.591 1.00 0.94 H new ATOM 0 HA LYS B 56 21.035 0.340 -4.733 1.00 0.68 H new ATOM 0 HB2 LYS B 56 23.167 2.068 -6.033 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.597 2.198 -4.381 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.956 -0.278 -5.503 1.00 1.31 H new ATOM 0 HG3 LYS B 56 24.807 1.008 -4.669 1.00 1.31 H new ATOM 0 HD2 LYS B 56 23.686 0.571 -2.605 1.00 0.93 H new ATOM 0 HD3 LYS B 56 22.442 -0.388 -3.383 1.00 0.93 H new ATOM 0 HE2 LYS B 56 23.969 -2.193 -3.828 1.00 1.34 H new ATOM 0 HE3 LYS B 56 25.365 -1.208 -3.437 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 24.590 -2.842 -1.700 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 24.852 -1.251 -1.167 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 23.270 -1.810 -1.430 1.00 1.52 H new ATOM 1348 N VAL B 57 19.519 2.284 -5.238 1.00 0.56 N ATOM 1349 CA VAL B 57 18.536 3.297 -5.604 1.00 0.53 C ATOM 1350 C VAL B 57 18.798 4.602 -4.859 1.00 0.53 C ATOM 1351 O VAL B 57 19.178 4.592 -3.684 1.00 0.57 O ATOM 1352 CB VAL B 57 17.090 2.820 -5.331 1.00 0.49 C ATOM 1353 CG1 VAL B 57 16.087 3.726 -6.030 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.908 1.376 -5.777 1.00 0.54 C ATOM 0 H VAL B 57 19.398 1.892 -4.304 1.00 0.56 H new ATOM 0 HA VAL B 57 18.640 3.470 -6.675 1.00 0.53 H new ATOM 0 HB VAL B 57 16.910 2.872 -4.257 1.00 0.49 H new ATOM 0 HG11 VAL B 57 15.076 3.375 -5.826 1.00 0.57 H new ATOM 0 HG12 VAL B 57 16.198 4.745 -5.660 1.00 0.57 H new ATOM 0 HG13 VAL B 57 16.268 3.708 -7.105 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.884 1.059 -5.576 1.00 0.54 H new ATOM 0 HG22 VAL B 57 17.109 1.297 -6.845 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.600 0.736 -5.229 1.00 0.54 H new ATOM 1364 N LEU B 58 18.599 5.716 -5.547 1.00 0.64 N ATOM 1365 CA LEU B 58 18.826 7.029 -4.963 1.00 0.67 C ATOM 1366 C LEU B 58 17.539 7.606 -4.378 1.00 0.67 C ATOM 1367 O LEU B 58 16.461 7.499 -4.972 1.00 0.97 O ATOM 1368 CB LEU B 58 19.391 7.983 -6.022 1.00 0.85 C ATOM 1369 CG LEU B 58 19.794 9.373 -5.513 1.00 0.87 C ATOM 1370 CD1 LEU B 58 21.208 9.710 -5.953 1.00 1.04 C ATOM 1371 CD2 LEU B 58 18.821 10.430 -6.014 1.00 1.26 C ATOM 0 H LEU B 58 18.279 5.736 -6.515 1.00 0.64 H new ATOM 0 HA LEU B 58 19.546 6.917 -4.153 1.00 0.67 H new ATOM 0 HB2 LEU B 58 20.264 7.515 -6.478 1.00 0.85 H new ATOM 0 HB3 LEU B 58 18.647 8.105 -6.809 1.00 0.85 H new ATOM 0 HG LEU B 58 19.761 9.361 -4.424 1.00 0.87 H new ATOM 0 HD11 LEU B 58 21.478 10.699 -5.584 1.00 1.04 H new ATOM 0 HD12 LEU B 58 21.900 8.971 -5.550 1.00 1.04 H new ATOM 0 HD13 LEU B 58 21.262 9.702 -7.042 1.00 1.04 H new ATOM 0 HD21 LEU B 58 19.124 11.409 -5.642 1.00 1.26 H new ATOM 0 HD22 LEU B 58 18.823 10.439 -7.104 1.00 1.26 H new ATOM 0 HD23 LEU B 58 17.818 10.200 -5.655 1.00 1.26 H new ATOM 1383 N TYR B 59 17.660 8.205 -3.205 1.00 0.54 N ATOM 1384 CA TYR B 59 16.533 8.826 -2.536 1.00 0.57 C ATOM 1385 C TYR B 59 17.017 10.037 -1.737 1.00 0.58 C ATOM 1386 O TYR B 59 17.988 9.948 -0.985 1.00 0.62 O ATOM 1387 CB TYR B 59 15.805 7.814 -1.632 1.00 0.63 C ATOM 1388 CG TYR B 59 16.402 7.660 -0.246 1.00 0.72 C ATOM 1389 CD1 TYR B 59 17.588 6.964 -0.052 1.00 0.75 C ATOM 1390 CD2 TYR B 59 15.781 8.221 0.864 1.00 0.88 C ATOM 1391 CE1 TYR B 59 18.139 6.836 1.206 1.00 0.97 C ATOM 1392 CE2 TYR B 59 16.326 8.094 2.126 1.00 1.05 C ATOM 1393 CZ TYR B 59 17.505 7.400 2.291 1.00 1.10 C ATOM 1394 OH TYR B 59 18.057 7.273 3.548 1.00 1.35 O ATOM 0 H TYR B 59 18.539 8.274 -2.693 1.00 0.54 H new ATOM 0 HA TYR B 59 15.816 9.165 -3.284 1.00 0.57 H new ATOM 0 HB2 TYR B 59 14.763 8.120 -1.532 1.00 0.63 H new ATOM 0 HB3 TYR B 59 15.806 6.841 -2.124 1.00 0.63 H new ATOM 0 HD1 TYR B 59 18.086 6.516 -0.899 1.00 0.75 H new ATOM 0 HD2 TYR B 59 14.857 8.765 0.737 1.00 0.88 H new ATOM 0 HE1 TYR B 59 19.064 6.295 1.340 1.00 0.97 H new ATOM 0 HE2 TYR B 59 15.832 8.536 2.979 1.00 1.05 H new ATOM 0 HH TYR B 59 18.620 6.471 3.579 1.00 1.35 H new ATOM 1404 N GLU B 60 16.370 11.177 -1.958 1.00 0.64 N ATOM 1405 CA GLU B 60 16.704 12.422 -1.262 1.00 0.68 C ATOM 1406 C GLU B 60 18.183 12.799 -1.416 1.00 0.74 C ATOM 1407 O GLU B 60 18.758 13.462 -0.552 1.00 0.82 O ATOM 1408 CB GLU B 60 16.335 12.316 0.220 1.00 0.75 C ATOM 1409 CG GLU B 60 14.893 11.895 0.449 1.00 0.88 C ATOM 1410 CD GLU B 60 14.486 11.958 1.903 1.00 1.88 C ATOM 1411 OE1 GLU B 60 15.310 11.630 2.780 1.00 2.64 O ATOM 1412 OE2 GLU B 60 13.334 12.344 2.180 1.00 2.51 O ATOM 0 H GLU B 60 15.601 11.267 -2.622 1.00 0.64 H new ATOM 0 HA GLU B 60 16.120 13.217 -1.725 1.00 0.68 H new ATOM 0 HB2 GLU B 60 16.998 11.597 0.702 1.00 0.75 H new ATOM 0 HB3 GLU B 60 16.506 13.279 0.700 1.00 0.75 H new ATOM 0 HG2 GLU B 60 14.235 12.538 -0.135 1.00 0.88 H new ATOM 0 HG3 GLU B 60 14.754 10.878 0.082 1.00 0.88 H new ATOM 1419 N GLY B 61 18.793 12.376 -2.519 1.00 0.81 N ATOM 1420 CA GLY B 61 20.188 12.697 -2.768 1.00 0.99 C ATOM 1421 C GLY B 61 21.155 11.664 -2.216 1.00 1.03 C ATOM 1422 O GLY B 61 22.366 11.799 -2.383 1.00 1.27 O ATOM 0 H GLY B 61 18.346 11.816 -3.245 1.00 0.81 H new ATOM 0 HA2 GLY B 61 20.345 12.792 -3.843 1.00 0.99 H new ATOM 0 HA3 GLY B 61 20.414 13.667 -2.326 1.00 0.99 H new ATOM 1426 N LYS B 62 20.636 10.639 -1.553 1.00 0.90 N ATOM 1427 CA LYS B 62 21.484 9.593 -0.990 1.00 1.00 C ATOM 1428 C LYS B 62 21.237 8.270 -1.702 1.00 0.88 C ATOM 1429 O LYS B 62 20.120 7.997 -2.133 1.00 0.78 O ATOM 1430 CB LYS B 62 21.209 9.421 0.503 1.00 1.08 C ATOM 1431 CG LYS B 62 21.451 10.674 1.333 1.00 1.44 C ATOM 1432 CD LYS B 62 21.186 10.420 2.810 1.00 1.44 C ATOM 1433 CE LYS B 62 19.713 10.155 3.072 1.00 1.32 C ATOM 1434 NZ LYS B 62 19.484 9.524 4.396 1.00 1.45 N ATOM 0 H LYS B 62 19.637 10.508 -1.392 1.00 0.90 H new ATOM 0 HA LYS B 62 22.523 9.891 -1.129 1.00 1.00 H new ATOM 0 HB2 LYS B 62 20.174 9.106 0.636 1.00 1.08 H new ATOM 0 HB3 LYS B 62 21.839 8.618 0.886 1.00 1.08 H new ATOM 0 HG2 LYS B 62 22.480 11.009 1.198 1.00 1.44 H new ATOM 0 HG3 LYS B 62 20.805 11.478 0.979 1.00 1.44 H new ATOM 0 HD2 LYS B 62 21.776 9.567 3.145 1.00 1.44 H new ATOM 0 HD3 LYS B 62 21.511 11.282 3.393 1.00 1.44 H new ATOM 0 HE2 LYS B 62 19.162 11.094 3.018 1.00 1.32 H new ATOM 0 HE3 LYS B 62 19.317 9.508 2.289 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 18.949 8.641 4.272 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 20.399 9.314 4.843 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 18.944 10.174 5.002 1.00 1.45 H new ATOM 1448 N GLU B 63 22.272 7.456 -1.823 1.00 0.95 N ATOM 1449 CA GLU B 63 22.139 6.163 -2.477 1.00 0.88 C ATOM 1450 C GLU B 63 22.059 5.053 -1.440 1.00 0.89 C ATOM 1451 O GLU B 63 22.962 4.894 -0.618 1.00 1.05 O ATOM 1452 CB GLU B 63 23.322 5.914 -3.411 1.00 1.03 C ATOM 1453 CG GLU B 63 23.518 7.008 -4.444 1.00 1.17 C ATOM 1454 CD GLU B 63 24.909 7.004 -5.033 1.00 1.35 C ATOM 1455 OE1 GLU B 63 25.806 7.646 -4.450 1.00 1.35 O ATOM 1456 OE2 GLU B 63 25.115 6.359 -6.082 1.00 1.91 O ATOM 0 H GLU B 63 23.209 7.665 -1.479 1.00 0.95 H new ATOM 0 HA GLU B 63 21.221 6.168 -3.064 1.00 0.88 H new ATOM 0 HB2 GLU B 63 24.231 5.820 -2.816 1.00 1.03 H new ATOM 0 HB3 GLU B 63 23.176 4.963 -3.924 1.00 1.03 H new ATOM 0 HG2 GLU B 63 22.788 6.883 -5.244 1.00 1.17 H new ATOM 0 HG3 GLU B 63 23.324 7.977 -3.984 1.00 1.17 H new ATOM 1463 N PHE B 64 20.978 4.294 -1.480 1.00 0.78 N ATOM 1464 CA PHE B 64 20.775 3.193 -0.550 1.00 0.84 C ATOM 1465 C PHE B 64 20.684 1.881 -1.314 1.00 0.86 C ATOM 1466 O PHE B 64 20.981 1.839 -2.507 1.00 0.97 O ATOM 1467 CB PHE B 64 19.503 3.420 0.270 1.00 0.78 C ATOM 1468 CG PHE B 64 19.763 3.787 1.707 1.00 0.85 C ATOM 1469 CD1 PHE B 64 20.794 4.650 2.048 1.00 0.98 C ATOM 1470 CD2 PHE B 64 18.971 3.267 2.718 1.00 0.89 C ATOM 1471 CE1 PHE B 64 21.028 4.987 3.368 1.00 1.07 C ATOM 1472 CE2 PHE B 64 19.199 3.598 4.039 1.00 1.01 C ATOM 1473 CZ PHE B 64 20.229 4.460 4.365 1.00 1.06 C ATOM 0 H PHE B 64 20.221 4.420 -2.152 1.00 0.78 H new ATOM 0 HA PHE B 64 21.623 3.145 0.133 1.00 0.84 H new ATOM 0 HB2 PHE B 64 18.917 4.212 -0.197 1.00 0.78 H new ATOM 0 HB3 PHE B 64 18.896 2.515 0.240 1.00 0.78 H new ATOM 0 HD1 PHE B 64 21.422 5.064 1.273 1.00 0.98 H new ATOM 0 HD2 PHE B 64 18.164 2.593 2.469 1.00 0.89 H new ATOM 0 HE1 PHE B 64 21.834 5.661 3.620 1.00 1.07 H new ATOM 0 HE2 PHE B 64 18.574 3.184 4.816 1.00 1.01 H new ATOM 0 HZ PHE B 64 20.409 4.721 5.397 1.00 1.06 H new ATOM 1483 N ASP B 65 20.282 0.819 -0.623 1.00 0.82 N ATOM 1484 CA ASP B 65 20.142 -0.495 -1.247 1.00 0.85 C ATOM 1485 C ASP B 65 19.027 -0.466 -2.283 1.00 0.82 C ATOM 1486 O ASP B 65 19.264 -0.229 -3.469 1.00 0.92 O ATOM 1487 CB ASP B 65 19.836 -1.563 -0.190 1.00 0.87 C ATOM 1488 CG ASP B 65 21.059 -2.349 0.236 1.00 1.21 C ATOM 1489 OD1 ASP B 65 22.052 -2.377 -0.517 1.00 1.57 O ATOM 1490 OD2 ASP B 65 21.023 -2.963 1.326 1.00 1.81 O ATOM 0 H ASP B 65 20.047 0.841 0.369 1.00 0.82 H new ATOM 0 HA ASP B 65 21.083 -0.745 -1.737 1.00 0.85 H new ATOM 0 HB2 ASP B 65 19.397 -1.084 0.685 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.089 -2.252 -0.584 1.00 0.87 H new ATOM 1495 N TYR B 66 17.805 -0.682 -1.825 1.00 0.72 N ATOM 1496 CA TYR B 66 16.647 -0.673 -2.699 1.00 0.72 C ATOM 1497 C TYR B 66 15.485 0.013 -2.004 1.00 0.59 C ATOM 1498 O TYR B 66 14.897 -0.530 -1.070 1.00 0.54 O ATOM 1499 CB TYR B 66 16.261 -2.098 -3.110 1.00 0.83 C ATOM 1500 CG TYR B 66 16.924 -2.556 -4.390 1.00 1.06 C ATOM 1501 CD1 TYR B 66 16.380 -2.235 -5.625 1.00 1.21 C ATOM 1502 CD2 TYR B 66 18.098 -3.301 -4.363 1.00 1.26 C ATOM 1503 CE1 TYR B 66 16.983 -2.642 -6.800 1.00 1.48 C ATOM 1504 CE2 TYR B 66 18.707 -3.713 -5.534 1.00 1.52 C ATOM 1505 CZ TYR B 66 18.147 -3.378 -6.750 1.00 1.62 C ATOM 1506 OH TYR B 66 18.755 -3.774 -7.921 1.00 1.92 O ATOM 0 H TYR B 66 17.590 -0.867 -0.845 1.00 0.72 H new ATOM 0 HA TYR B 66 16.898 -0.120 -3.604 1.00 0.72 H new ATOM 0 HB2 TYR B 66 16.527 -2.784 -2.306 1.00 0.83 H new ATOM 0 HB3 TYR B 66 15.179 -2.153 -3.231 1.00 0.83 H new ATOM 0 HD1 TYR B 66 15.469 -1.657 -5.669 1.00 1.21 H new ATOM 0 HD2 TYR B 66 18.541 -3.562 -3.413 1.00 1.26 H new ATOM 0 HE1 TYR B 66 16.544 -2.385 -7.753 1.00 1.48 H new ATOM 0 HE2 TYR B 66 19.617 -4.294 -5.497 1.00 1.52 H new ATOM 0 HH TYR B 66 18.569 -3.118 -8.624 1.00 1.92 H new ATOM 1516 N VAL B 67 15.182 1.225 -2.439 1.00 0.71 N ATOM 1517 CA VAL B 67 14.088 1.980 -1.854 1.00 0.61 C ATOM 1518 C VAL B 67 12.813 1.777 -2.671 1.00 0.64 C ATOM 1519 O VAL B 67 12.872 1.526 -3.878 1.00 0.73 O ATOM 1520 CB VAL B 67 14.420 3.490 -1.737 1.00 0.65 C ATOM 1521 CG1 VAL B 67 15.812 3.695 -1.158 1.00 0.70 C ATOM 1522 CG2 VAL B 67 14.296 4.192 -3.078 1.00 0.73 C ATOM 0 H VAL B 67 15.676 1.705 -3.192 1.00 0.71 H new ATOM 0 HA VAL B 67 13.932 1.603 -0.843 1.00 0.61 H new ATOM 0 HB VAL B 67 13.692 3.933 -1.057 1.00 0.65 H new ATOM 0 HG11 VAL B 67 16.022 4.762 -1.085 1.00 0.70 H new ATOM 0 HG12 VAL B 67 15.863 3.247 -0.166 1.00 0.70 H new ATOM 0 HG13 VAL B 67 16.549 3.223 -1.807 1.00 0.70 H new ATOM 0 HG21 VAL B 67 14.536 5.249 -2.959 1.00 0.73 H new ATOM 0 HG22 VAL B 67 14.987 3.741 -3.790 1.00 0.73 H new ATOM 0 HG23 VAL B 67 13.276 4.091 -3.449 1.00 0.73 H new ATOM 1532 N PHE B 68 11.671 1.872 -2.008 1.00 0.64 N ATOM 1533 CA PHE B 68 10.388 1.689 -2.670 1.00 0.73 C ATOM 1534 C PHE B 68 9.680 3.025 -2.865 1.00 0.72 C ATOM 1535 O PHE B 68 9.663 3.870 -1.969 1.00 0.65 O ATOM 1536 CB PHE B 68 9.507 0.736 -1.854 1.00 0.81 C ATOM 1537 CG PHE B 68 8.171 0.464 -2.478 1.00 0.96 C ATOM 1538 CD1 PHE B 68 8.070 -0.333 -3.607 1.00 0.98 C ATOM 1539 CD2 PHE B 68 7.014 1.004 -1.938 1.00 1.19 C ATOM 1540 CE1 PHE B 68 6.841 -0.585 -4.185 1.00 1.18 C ATOM 1541 CE2 PHE B 68 5.784 0.755 -2.511 1.00 1.37 C ATOM 1542 CZ PHE B 68 5.696 -0.039 -3.636 1.00 1.36 C ATOM 0 H PHE B 68 11.606 2.075 -1.011 1.00 0.64 H new ATOM 0 HA PHE B 68 10.568 1.254 -3.653 1.00 0.73 H new ATOM 0 HB2 PHE B 68 10.035 -0.208 -1.722 1.00 0.81 H new ATOM 0 HB3 PHE B 68 9.355 1.158 -0.861 1.00 0.81 H new ATOM 0 HD1 PHE B 68 8.962 -0.762 -4.040 1.00 0.98 H new ATOM 0 HD2 PHE B 68 7.076 1.627 -1.058 1.00 1.19 H new ATOM 0 HE1 PHE B 68 6.775 -1.208 -5.065 1.00 1.18 H new ATOM 0 HE2 PHE B 68 4.891 1.181 -2.079 1.00 1.37 H new ATOM 0 HZ PHE B 68 4.734 -0.234 -4.087 1.00 1.36 H new ATOM 1552 N SER B 69 9.110 3.214 -4.045 1.00 0.84 N ATOM 1553 CA SER B 69 8.389 4.433 -4.366 1.00 0.90 C ATOM 1554 C SER B 69 6.909 4.264 -4.018 1.00 0.94 C ATOM 1555 O SER B 69 6.183 3.531 -4.693 1.00 1.09 O ATOM 1556 CB SER B 69 8.561 4.759 -5.853 1.00 1.10 C ATOM 1557 OG SER B 69 9.890 4.484 -6.286 1.00 1.04 O ATOM 0 H SER B 69 9.134 2.531 -4.802 1.00 0.84 H new ATOM 0 HA SER B 69 8.791 5.260 -3.780 1.00 0.90 H new ATOM 0 HB2 SER B 69 7.855 4.173 -6.441 1.00 1.10 H new ATOM 0 HB3 SER B 69 8.328 5.809 -6.028 1.00 1.10 H new ATOM 0 HG SER B 69 9.975 4.698 -7.239 1.00 1.04 H new ATOM 1563 N ILE B 70 6.477 4.919 -2.952 1.00 0.84 N ATOM 1564 CA ILE B 70 5.096 4.830 -2.500 1.00 0.91 C ATOM 1565 C ILE B 70 4.206 5.825 -3.240 1.00 1.06 C ATOM 1566 O ILE B 70 4.471 7.030 -3.246 1.00 1.32 O ATOM 1567 CB ILE B 70 4.988 5.085 -0.983 1.00 0.88 C ATOM 1568 CG1 ILE B 70 5.960 4.190 -0.210 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.563 4.851 -0.505 1.00 1.05 C ATOM 1570 CD1 ILE B 70 6.149 4.612 1.234 1.00 1.25 C ATOM 0 H ILE B 70 7.067 5.523 -2.379 1.00 0.84 H new ATOM 0 HA ILE B 70 4.755 3.818 -2.717 1.00 0.91 H new ATOM 0 HB ILE B 70 5.255 6.125 -0.794 1.00 0.88 H new ATOM 0 HG12 ILE B 70 5.595 3.163 -0.236 1.00 0.74 H new ATOM 0 HG13 ILE B 70 6.927 4.198 -0.713 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.504 5.035 0.568 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.888 5.529 -1.027 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.274 3.821 -0.712 1.00 1.05 H new ATOM 0 HD11 ILE B 70 6.850 3.935 1.722 1.00 1.25 H new ATOM 0 HD12 ILE B 70 6.543 5.628 1.268 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.190 4.577 1.752 1.00 1.25 H new ATOM 1582 N ASP B 71 3.153 5.308 -3.857 1.00 0.97 N ATOM 1583 CA ASP B 71 2.206 6.134 -4.594 1.00 1.14 C ATOM 1584 C ASP B 71 0.865 6.143 -3.873 1.00 1.17 C ATOM 1585 O ASP B 71 0.381 5.097 -3.438 1.00 1.23 O ATOM 1586 CB ASP B 71 2.038 5.619 -6.034 1.00 1.26 C ATOM 1587 CG ASP B 71 1.378 4.251 -6.109 1.00 1.04 C ATOM 1588 OD1 ASP B 71 1.921 3.283 -5.525 1.00 1.52 O ATOM 1589 OD2 ASP B 71 0.328 4.128 -6.777 1.00 1.48 O ATOM 0 H ASP B 71 2.932 4.312 -3.862 1.00 0.97 H new ATOM 0 HA ASP B 71 2.592 7.152 -4.643 1.00 1.14 H new ATOM 0 HB2 ASP B 71 1.442 6.334 -6.601 1.00 1.26 H new ATOM 0 HB3 ASP B 71 3.017 5.570 -6.512 1.00 1.26 H new ATOM 1594 N VAL B 72 0.277 7.325 -3.720 1.00 1.48 N ATOM 1595 CA VAL B 72 -1.006 7.455 -3.035 1.00 1.59 C ATOM 1596 C VAL B 72 -1.493 8.904 -3.050 1.00 1.63 C ATOM 1597 O VAL B 72 -2.673 9.178 -3.284 1.00 1.86 O ATOM 1598 CB VAL B 72 -0.928 6.941 -1.570 1.00 1.61 C ATOM 1599 CG1 VAL B 72 0.172 7.645 -0.785 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -2.270 7.097 -0.872 1.00 1.87 C ATOM 0 H VAL B 72 0.666 8.205 -4.060 1.00 1.48 H new ATOM 0 HA VAL B 72 -1.721 6.836 -3.578 1.00 1.59 H new ATOM 0 HB VAL B 72 -0.678 5.881 -1.608 1.00 1.61 H new ATOM 0 HG11 VAL B 72 0.196 7.259 0.234 1.00 1.82 H new ATOM 0 HG12 VAL B 72 1.134 7.464 -1.264 1.00 1.82 H new ATOM 0 HG13 VAL B 72 -0.026 8.717 -0.763 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -2.192 6.731 0.152 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -2.554 8.149 -0.861 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -3.027 6.523 -1.406 1.00 1.87 H new ATOM 1610 N ASN B 73 -0.576 9.831 -2.820 1.00 1.47 N ATOM 1611 CA ASN B 73 -0.909 11.246 -2.806 1.00 1.57 C ATOM 1612 C ASN B 73 -0.794 11.841 -4.207 1.00 1.59 C ATOM 1613 O ASN B 73 0.297 12.183 -4.673 1.00 1.71 O ATOM 1614 CB ASN B 73 -0.022 12.016 -1.802 1.00 1.67 C ATOM 1615 CG ASN B 73 1.473 11.769 -1.973 1.00 1.70 C ATOM 1616 OD1 ASN B 73 1.904 10.707 -2.424 1.00 1.96 O ATOM 1617 ND2 ASN B 73 2.275 12.751 -1.589 1.00 1.91 N ATOM 0 H ASN B 73 0.407 9.627 -2.640 1.00 1.47 H new ATOM 0 HA ASN B 73 -1.944 11.346 -2.479 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -0.217 13.083 -1.906 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -0.312 11.736 -0.789 1.00 1.67 H new ATOM 0 HD21 ASN B 73 3.286 12.642 -1.662 1.00 1.91 H new ATOM 0 HD22 ASN B 73 1.881 13.617 -1.220 1.00 1.91 H new ATOM 1624 N GLU B 74 -1.931 11.928 -4.886 1.00 1.59 N ATOM 1625 CA GLU B 74 -1.986 12.475 -6.235 1.00 1.64 C ATOM 1626 C GLU B 74 -1.745 13.978 -6.206 1.00 1.66 C ATOM 1627 O GLU B 74 -2.613 14.748 -5.792 1.00 1.76 O ATOM 1628 CB GLU B 74 -3.341 12.175 -6.876 1.00 1.78 C ATOM 1629 CG GLU B 74 -3.392 12.480 -8.365 1.00 2.27 C ATOM 1630 CD GLU B 74 -2.579 11.501 -9.184 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -1.333 11.519 -9.083 1.00 2.62 O ATOM 1632 OE2 GLU B 74 -3.185 10.709 -9.935 1.00 2.14 O ATOM 0 H GLU B 74 -2.834 11.624 -4.521 1.00 1.59 H new ATOM 0 HA GLU B 74 -1.204 12.004 -6.831 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -3.582 11.123 -6.721 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -4.110 12.757 -6.368 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -4.428 12.458 -8.702 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -3.021 13.490 -8.539 1.00 2.27 H new ATOM 1639 N GLY B 75 -0.558 14.386 -6.631 1.00 1.63 N ATOM 1640 CA GLY B 75 -0.216 15.793 -6.641 1.00 1.68 C ATOM 1641 C GLY B 75 0.704 16.164 -5.498 1.00 1.56 C ATOM 1642 O GLY B 75 0.951 17.343 -5.243 1.00 1.71 O ATOM 0 H GLY B 75 0.177 13.765 -6.970 1.00 1.63 H new ATOM 0 HA2 GLY B 75 0.264 16.042 -7.587 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -1.128 16.388 -6.580 1.00 1.68 H new ATOM 1646 N GLY B 76 1.210 15.155 -4.806 1.00 1.59 N ATOM 1647 CA GLY B 76 2.106 15.393 -3.693 1.00 1.48 C ATOM 1648 C GLY B 76 3.460 14.749 -3.911 1.00 1.42 C ATOM 1649 O GLY B 76 3.646 14.021 -4.886 1.00 1.49 O ATOM 0 H GLY B 76 1.016 14.172 -4.996 1.00 1.59 H new ATOM 0 HA2 GLY B 76 2.233 16.466 -3.552 1.00 1.48 H new ATOM 0 HA3 GLY B 76 1.661 15.002 -2.778 1.00 1.48 H new ATOM 1653 N PRO B 77 4.427 14.998 -3.015 1.00 1.37 N ATOM 1654 CA PRO B 77 5.777 14.432 -3.118 1.00 1.36 C ATOM 1655 C PRO B 77 5.781 12.909 -3.006 1.00 1.22 C ATOM 1656 O PRO B 77 5.035 12.331 -2.207 1.00 1.17 O ATOM 1657 CB PRO B 77 6.521 15.058 -1.933 1.00 1.41 C ATOM 1658 CG PRO B 77 5.454 15.462 -0.977 1.00 1.47 C ATOM 1659 CD PRO B 77 4.279 15.849 -1.824 1.00 1.43 C ATOM 0 HA PRO B 77 6.233 14.646 -4.085 1.00 1.36 H new ATOM 0 HB2 PRO B 77 7.209 14.345 -1.478 1.00 1.41 H new ATOM 0 HB3 PRO B 77 7.114 15.917 -2.248 1.00 1.41 H new ATOM 0 HG2 PRO B 77 5.200 14.643 -0.305 1.00 1.47 H new ATOM 0 HG3 PRO B 77 5.780 16.295 -0.355 1.00 1.47 H new ATOM 0 HD2 PRO B 77 3.335 15.664 -1.312 1.00 1.43 H new ATOM 0 HD3 PRO B 77 4.299 16.908 -2.081 1.00 1.43 H new ATOM 1667 N SER B 78 6.609 12.268 -3.815 1.00 1.24 N ATOM 1668 CA SER B 78 6.719 10.821 -3.809 1.00 1.16 C ATOM 1669 C SER B 78 7.482 10.350 -2.574 1.00 0.96 C ATOM 1670 O SER B 78 8.602 10.794 -2.316 1.00 0.91 O ATOM 1671 CB SER B 78 7.426 10.348 -5.080 1.00 1.33 C ATOM 1672 OG SER B 78 8.589 11.125 -5.330 1.00 1.66 O ATOM 0 H SER B 78 7.218 12.733 -4.488 1.00 1.24 H new ATOM 0 HA SER B 78 5.717 10.392 -3.780 1.00 1.16 H new ATOM 0 HB2 SER B 78 7.700 9.298 -4.980 1.00 1.33 H new ATOM 0 HB3 SER B 78 6.746 10.421 -5.928 1.00 1.33 H new ATOM 0 HG SER B 78 9.013 11.362 -4.479 1.00 1.66 H new ATOM 1678 N TYR B 79 6.867 9.464 -1.806 1.00 0.93 N ATOM 1679 CA TYR B 79 7.489 8.940 -0.603 1.00 0.77 C ATOM 1680 C TYR B 79 8.434 7.795 -0.946 1.00 0.70 C ATOM 1681 O TYR B 79 8.015 6.770 -1.484 1.00 0.70 O ATOM 1682 CB TYR B 79 6.421 8.469 0.383 1.00 0.82 C ATOM 1683 CG TYR B 79 5.646 9.594 1.029 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.302 10.609 1.711 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.260 9.642 0.953 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.600 11.639 2.303 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.549 10.669 1.544 1.00 1.40 C ATOM 1688 CZ TYR B 79 4.224 11.666 2.216 1.00 1.40 C ATOM 1689 OH TYR B 79 3.521 12.692 2.809 1.00 1.64 O ATOM 0 H TYR B 79 5.936 9.093 -1.996 1.00 0.93 H new ATOM 0 HA TYR B 79 8.068 9.738 -0.137 1.00 0.77 H new ATOM 0 HB2 TYR B 79 5.724 7.813 -0.138 1.00 0.82 H new ATOM 0 HB3 TYR B 79 6.897 7.874 1.163 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.380 10.593 1.780 1.00 1.03 H new ATOM 0 HD2 TYR B 79 3.730 8.864 0.424 1.00 1.22 H new ATOM 0 HE1 TYR B 79 6.126 12.420 2.832 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.471 10.691 1.480 1.00 1.40 H new ATOM 0 HH TYR B 79 2.562 12.564 2.654 1.00 1.64 H new ATOM 1699 N LYS B 80 9.711 7.986 -0.649 1.00 0.71 N ATOM 1700 CA LYS B 80 10.722 6.975 -0.924 1.00 0.68 C ATOM 1701 C LYS B 80 11.057 6.200 0.344 1.00 0.61 C ATOM 1702 O LYS B 80 11.688 6.729 1.256 1.00 0.62 O ATOM 1703 CB LYS B 80 11.987 7.625 -1.493 1.00 0.72 C ATOM 1704 CG LYS B 80 11.746 8.408 -2.778 1.00 0.93 C ATOM 1705 CD LYS B 80 11.641 7.495 -3.989 1.00 1.14 C ATOM 1706 CE LYS B 80 13.007 7.238 -4.613 1.00 1.42 C ATOM 1707 NZ LYS B 80 13.580 8.466 -5.233 1.00 2.09 N ATOM 0 H LYS B 80 10.073 8.835 -0.216 1.00 0.71 H new ATOM 0 HA LYS B 80 10.322 6.281 -1.663 1.00 0.68 H new ATOM 0 HB2 LYS B 80 12.410 8.294 -0.744 1.00 0.72 H new ATOM 0 HB3 LYS B 80 12.729 6.850 -1.684 1.00 0.72 H new ATOM 0 HG2 LYS B 80 10.829 8.990 -2.682 1.00 0.93 H new ATOM 0 HG3 LYS B 80 12.560 9.118 -2.928 1.00 0.93 H new ATOM 0 HD2 LYS B 80 11.190 6.547 -3.694 1.00 1.14 H new ATOM 0 HD3 LYS B 80 10.980 7.945 -4.730 1.00 1.14 H new ATOM 0 HE2 LYS B 80 13.690 6.866 -3.849 1.00 1.42 H new ATOM 0 HE3 LYS B 80 12.919 6.458 -5.369 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 14.576 8.564 -4.952 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 13.518 8.393 -6.269 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 13.046 9.299 -4.912 1.00 2.09 H new ATOM 1721 N LEU B 81 10.624 4.951 0.390 1.00 0.59 N ATOM 1722 CA LEU B 81 10.860 4.088 1.542 1.00 0.58 C ATOM 1723 C LEU B 81 12.244 3.443 1.460 1.00 0.52 C ATOM 1724 O LEU B 81 12.483 2.595 0.602 1.00 0.50 O ATOM 1725 CB LEU B 81 9.780 3.006 1.597 1.00 0.65 C ATOM 1726 CG LEU B 81 10.002 1.904 2.633 1.00 0.73 C ATOM 1727 CD1 LEU B 81 9.191 2.178 3.887 1.00 0.81 C ATOM 1728 CD2 LEU B 81 9.642 0.548 2.047 1.00 0.96 C ATOM 0 H LEU B 81 10.101 4.506 -0.364 1.00 0.59 H new ATOM 0 HA LEU B 81 10.818 4.692 2.449 1.00 0.58 H new ATOM 0 HB2 LEU B 81 8.822 3.484 1.801 1.00 0.65 H new ATOM 0 HB3 LEU B 81 9.703 2.544 0.613 1.00 0.65 H new ATOM 0 HG LEU B 81 11.057 1.893 2.906 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.362 1.383 4.612 1.00 0.81 H new ATOM 0 HD12 LEU B 81 9.496 3.132 4.316 1.00 0.81 H new ATOM 0 HD13 LEU B 81 8.131 2.216 3.634 1.00 0.81 H new ATOM 0 HD21 LEU B 81 9.805 -0.227 2.796 1.00 0.96 H new ATOM 0 HD22 LEU B 81 8.594 0.548 1.747 1.00 0.96 H new ATOM 0 HD23 LEU B 81 10.268 0.350 1.177 1.00 0.96 H new ATOM 1740 N PRO B 82 13.178 3.836 2.340 1.00 0.57 N ATOM 1741 CA PRO B 82 14.530 3.292 2.350 1.00 0.58 C ATOM 1742 C PRO B 82 14.622 1.960 3.091 1.00 0.59 C ATOM 1743 O PRO B 82 14.238 1.858 4.257 1.00 0.67 O ATOM 1744 CB PRO B 82 15.354 4.365 3.083 1.00 0.67 C ATOM 1745 CG PRO B 82 14.385 5.427 3.510 1.00 0.72 C ATOM 1746 CD PRO B 82 13.008 4.842 3.387 1.00 0.67 C ATOM 0 HA PRO B 82 14.881 3.082 1.340 1.00 0.58 H new ATOM 0 HB2 PRO B 82 15.867 3.939 3.945 1.00 0.67 H new ATOM 0 HB3 PRO B 82 16.121 4.780 2.429 1.00 0.67 H new ATOM 0 HG2 PRO B 82 14.581 5.738 4.536 1.00 0.72 H new ATOM 0 HG3 PRO B 82 14.484 6.314 2.884 1.00 0.72 H new ATOM 0 HD2 PRO B 82 12.672 4.398 4.324 1.00 0.67 H new ATOM 0 HD3 PRO B 82 12.271 5.596 3.109 1.00 0.67 H new ATOM 1754 N TYR B 83 15.130 0.943 2.407 1.00 0.60 N ATOM 1755 CA TYR B 83 15.285 -0.378 2.998 1.00 0.63 C ATOM 1756 C TYR B 83 16.663 -0.946 2.674 1.00 0.67 C ATOM 1757 O TYR B 83 17.201 -0.710 1.589 1.00 0.66 O ATOM 1758 CB TYR B 83 14.189 -1.329 2.489 1.00 0.63 C ATOM 1759 CG TYR B 83 14.358 -2.764 2.958 1.00 0.69 C ATOM 1760 CD1 TYR B 83 14.265 -3.090 4.305 1.00 0.72 C ATOM 1761 CD2 TYR B 83 14.616 -3.784 2.049 1.00 0.73 C ATOM 1762 CE1 TYR B 83 14.426 -4.394 4.736 1.00 0.79 C ATOM 1763 CE2 TYR B 83 14.776 -5.091 2.473 1.00 0.80 C ATOM 1764 CZ TYR B 83 14.682 -5.390 3.818 1.00 0.83 C ATOM 1765 OH TYR B 83 14.840 -6.690 4.245 1.00 0.91 O ATOM 0 H TYR B 83 15.443 1.009 1.438 1.00 0.60 H new ATOM 0 HA TYR B 83 15.189 -0.283 4.080 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.218 -0.960 2.820 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.182 -1.311 1.399 1.00 0.63 H new ATOM 0 HD1 TYR B 83 14.064 -2.313 5.027 1.00 0.72 H new ATOM 0 HD2 TYR B 83 14.693 -3.553 0.997 1.00 0.73 H new ATOM 0 HE1 TYR B 83 14.352 -4.631 5.787 1.00 0.79 H new ATOM 0 HE2 TYR B 83 14.973 -5.874 1.756 1.00 0.80 H new ATOM 0 HH TYR B 83 15.171 -6.693 5.167 1.00 0.91 H new ATOM 1775 N ASN B 84 17.238 -1.671 3.623 1.00 0.77 N ATOM 1776 CA ASN B 84 18.546 -2.286 3.435 1.00 0.84 C ATOM 1777 C ASN B 84 18.414 -3.801 3.448 1.00 0.81 C ATOM 1778 O ASN B 84 17.548 -4.347 4.127 1.00 0.80 O ATOM 1779 CB ASN B 84 19.533 -1.839 4.518 1.00 0.93 C ATOM 1780 CG ASN B 84 20.236 -0.542 4.172 1.00 1.33 C ATOM 1781 OD1 ASN B 84 19.849 0.530 4.635 1.00 2.02 O ATOM 1782 ND2 ASN B 84 21.264 -0.625 3.340 1.00 1.93 N ATOM 0 H ASN B 84 16.818 -1.849 4.535 1.00 0.77 H new ATOM 0 HA ASN B 84 18.935 -1.963 2.469 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.000 -1.718 5.461 1.00 0.93 H new ATOM 0 HB3 ASN B 84 20.277 -2.621 4.670 1.00 0.93 H new ATOM 0 HD21 ASN B 84 21.765 0.219 3.062 1.00 1.93 H new ATOM 0 HD22 ASN B 84 21.555 -1.533 2.977 1.00 1.93 H new ATOM 1789 N THR B 85 19.281 -4.470 2.706 1.00 0.83 N ATOM 1790 CA THR B 85 19.263 -5.926 2.606 1.00 0.83 C ATOM 1791 C THR B 85 19.485 -6.601 3.963 1.00 0.83 C ATOM 1792 O THR B 85 19.067 -7.736 4.181 1.00 0.96 O ATOM 1793 CB THR B 85 20.330 -6.415 1.609 1.00 0.94 C ATOM 1794 OG1 THR B 85 20.458 -5.470 0.533 1.00 1.11 O ATOM 1795 CG2 THR B 85 19.968 -7.782 1.045 1.00 1.17 C ATOM 0 H THR B 85 20.016 -4.024 2.157 1.00 0.83 H new ATOM 0 HA THR B 85 18.272 -6.205 2.248 1.00 0.83 H new ATOM 0 HB THR B 85 21.278 -6.502 2.140 1.00 0.94 H new ATOM 0 HG1 THR B 85 21.027 -4.725 0.818 1.00 1.11 H new ATOM 0 HG21 THR B 85 20.739 -8.102 0.344 1.00 1.17 H new ATOM 0 HG22 THR B 85 19.895 -8.504 1.859 1.00 1.17 H new ATOM 0 HG23 THR B 85 19.010 -7.720 0.528 1.00 1.17 H new ATOM 1803 N SER B 86 20.139 -5.901 4.877 1.00 0.84 N ATOM 1804 CA SER B 86 20.410 -6.443 6.199 1.00 0.88 C ATOM 1805 C SER B 86 19.511 -5.791 7.250 1.00 0.91 C ATOM 1806 O SER B 86 19.958 -5.473 8.353 1.00 1.14 O ATOM 1807 CB SER B 86 21.881 -6.222 6.548 1.00 0.93 C ATOM 1808 OG SER B 86 22.715 -6.512 5.436 1.00 1.23 O ATOM 0 H SER B 86 20.492 -4.956 4.727 1.00 0.84 H new ATOM 0 HA SER B 86 20.197 -7.512 6.191 1.00 0.88 H new ATOM 0 HB2 SER B 86 22.033 -5.189 6.862 1.00 0.93 H new ATOM 0 HB3 SER B 86 22.158 -6.856 7.390 1.00 0.93 H new ATOM 0 HG SER B 86 23.652 -6.362 5.682 1.00 1.23 H new ATOM 1814 N ASP B 87 18.243 -5.602 6.912 1.00 0.85 N ATOM 1815 CA ASP B 87 17.300 -4.979 7.832 1.00 0.88 C ATOM 1816 C ASP B 87 16.002 -5.776 7.889 1.00 0.90 C ATOM 1817 O ASP B 87 15.819 -6.734 7.132 1.00 0.94 O ATOM 1818 CB ASP B 87 17.015 -3.540 7.406 1.00 0.89 C ATOM 1819 CG ASP B 87 16.824 -2.614 8.588 1.00 0.82 C ATOM 1820 OD1 ASP B 87 15.767 -2.690 9.249 1.00 1.09 O ATOM 1821 OD2 ASP B 87 17.730 -1.797 8.859 1.00 1.13 O ATOM 0 H ASP B 87 17.844 -5.869 6.012 1.00 0.85 H new ATOM 0 HA ASP B 87 17.746 -4.969 8.827 1.00 0.88 H new ATOM 0 HB2 ASP B 87 17.839 -3.176 6.792 1.00 0.89 H new ATOM 0 HB3 ASP B 87 16.121 -3.519 6.783 1.00 0.89 H new ATOM 1826 N ASP B 88 15.104 -5.374 8.779 1.00 0.94 N ATOM 1827 CA ASP B 88 13.824 -6.054 8.941 1.00 0.97 C ATOM 1828 C ASP B 88 12.684 -5.141 8.511 1.00 0.93 C ATOM 1829 O ASP B 88 12.608 -3.997 8.957 1.00 0.91 O ATOM 1830 CB ASP B 88 13.619 -6.482 10.395 1.00 1.06 C ATOM 1831 CG ASP B 88 13.537 -7.987 10.555 1.00 1.42 C ATOM 1832 OD1 ASP B 88 13.080 -8.674 9.617 1.00 1.60 O ATOM 1833 OD2 ASP B 88 13.936 -8.493 11.622 1.00 1.90 O ATOM 0 H ASP B 88 15.239 -4.578 9.402 1.00 0.94 H new ATOM 0 HA ASP B 88 13.830 -6.943 8.311 1.00 0.97 H new ATOM 0 HB2 ASP B 88 14.441 -6.100 11.001 1.00 1.06 H new ATOM 0 HB3 ASP B 88 12.704 -6.030 10.777 1.00 1.06 H new ATOM 1838 N PRO B 89 11.772 -5.642 7.657 1.00 0.94 N ATOM 1839 CA PRO B 89 10.636 -4.875 7.134 1.00 0.93 C ATOM 1840 C PRO B 89 9.900 -4.046 8.187 1.00 0.88 C ATOM 1841 O PRO B 89 9.735 -2.839 8.026 1.00 0.82 O ATOM 1842 CB PRO B 89 9.694 -5.947 6.560 1.00 0.99 C ATOM 1843 CG PRO B 89 10.316 -7.268 6.878 1.00 1.06 C ATOM 1844 CD PRO B 89 11.773 -7.006 7.123 1.00 0.99 C ATOM 0 HA PRO B 89 10.982 -4.141 6.406 1.00 0.93 H new ATOM 0 HB2 PRO B 89 8.701 -5.869 7.002 1.00 0.99 H new ATOM 0 HB3 PRO B 89 9.574 -5.823 5.484 1.00 0.99 H new ATOM 0 HG2 PRO B 89 9.849 -7.715 7.756 1.00 1.06 H new ATOM 0 HG3 PRO B 89 10.181 -7.969 6.054 1.00 1.06 H new ATOM 0 HD2 PRO B 89 12.198 -7.717 7.831 1.00 0.99 H new ATOM 0 HD3 PRO B 89 12.357 -7.081 6.206 1.00 0.99 H new ATOM 1852 N TRP B 90 9.483 -4.691 9.268 1.00 0.93 N ATOM 1853 CA TRP B 90 8.739 -4.018 10.339 1.00 0.92 C ATOM 1854 C TRP B 90 9.577 -2.966 11.068 1.00 0.91 C ATOM 1855 O TRP B 90 9.039 -2.149 11.819 1.00 0.92 O ATOM 1856 CB TRP B 90 8.205 -5.048 11.341 1.00 1.02 C ATOM 1857 CG TRP B 90 8.917 -6.367 11.290 1.00 1.06 C ATOM 1858 CD1 TRP B 90 10.046 -6.720 11.971 1.00 1.19 C ATOM 1859 CD2 TRP B 90 8.541 -7.512 10.516 1.00 1.27 C ATOM 1860 NE1 TRP B 90 10.401 -8.011 11.660 1.00 1.42 N ATOM 1861 CE2 TRP B 90 9.488 -8.518 10.770 1.00 1.46 C ATOM 1862 CE3 TRP B 90 7.494 -7.777 9.628 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 9.421 -9.775 10.171 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 7.426 -9.025 9.035 1.00 1.84 C ATOM 1865 CH2 TRP B 90 8.382 -10.008 9.309 1.00 1.97 C ATOM 0 H TRP B 90 9.645 -5.684 9.432 1.00 0.93 H new ATOM 0 HA TRP B 90 7.906 -3.496 9.867 1.00 0.92 H new ATOM 0 HB2 TRP B 90 8.289 -4.639 12.348 1.00 1.02 H new ATOM 0 HB3 TRP B 90 7.144 -5.211 11.150 1.00 1.02 H new ATOM 0 HD1 TRP B 90 10.582 -6.078 12.655 1.00 1.19 H new ATOM 0 HE1 TRP B 90 11.210 -8.510 12.030 1.00 1.42 H new ATOM 0 HE3 TRP B 90 6.753 -7.022 9.409 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 10.159 -10.535 10.378 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 6.621 -9.244 8.349 1.00 1.84 H new ATOM 0 HH2 TRP B 90 8.299 -10.973 8.830 1.00 1.97 H new ATOM 1876 N LEU B 91 10.882 -2.976 10.851 1.00 0.95 N ATOM 1877 CA LEU B 91 11.757 -2.016 11.505 1.00 0.97 C ATOM 1878 C LEU B 91 12.113 -0.867 10.565 1.00 0.88 C ATOM 1879 O LEU B 91 11.965 0.301 10.923 1.00 0.88 O ATOM 1880 CB LEU B 91 13.025 -2.703 12.018 1.00 1.07 C ATOM 1881 CG LEU B 91 12.800 -3.719 13.142 1.00 1.11 C ATOM 1882 CD1 LEU B 91 14.122 -4.329 13.577 1.00 1.24 C ATOM 1883 CD2 LEU B 91 12.099 -3.059 14.321 1.00 1.17 C ATOM 0 H LEU B 91 11.357 -3.633 10.232 1.00 0.95 H new ATOM 0 HA LEU B 91 11.220 -1.600 12.358 1.00 0.97 H new ATOM 0 HB2 LEU B 91 13.510 -3.209 11.183 1.00 1.07 H new ATOM 0 HB3 LEU B 91 13.717 -1.939 12.372 1.00 1.07 H new ATOM 0 HG LEU B 91 12.161 -4.518 12.766 1.00 1.11 H new ATOM 0 HD11 LEU B 91 13.945 -5.049 14.376 1.00 1.24 H new ATOM 0 HD12 LEU B 91 14.586 -4.834 12.730 1.00 1.24 H new ATOM 0 HD13 LEU B 91 14.785 -3.542 13.937 1.00 1.24 H new ATOM 0 HD21 LEU B 91 11.946 -3.794 15.111 1.00 1.17 H new ATOM 0 HD22 LEU B 91 12.714 -2.242 14.699 1.00 1.17 H new ATOM 0 HD23 LEU B 91 11.134 -2.668 13.998 1.00 1.17 H new ATOM 1895 N THR B 92 12.560 -1.197 9.356 1.00 0.81 N ATOM 1896 CA THR B 92 12.936 -0.181 8.380 1.00 0.74 C ATOM 1897 C THR B 92 11.720 0.624 7.929 1.00 0.69 C ATOM 1898 O THR B 92 11.805 1.841 7.750 1.00 0.68 O ATOM 1899 CB THR B 92 13.616 -0.805 7.150 1.00 0.73 C ATOM 1900 OG1 THR B 92 13.894 -2.189 7.394 1.00 0.79 O ATOM 1901 CG2 THR B 92 14.908 -0.076 6.820 1.00 0.84 C ATOM 0 H THR B 92 12.670 -2.157 9.030 1.00 0.81 H new ATOM 0 HA THR B 92 13.645 0.485 8.873 1.00 0.74 H new ATOM 0 HB THR B 92 12.938 -0.714 6.302 1.00 0.73 H new ATOM 0 HG1 THR B 92 14.425 -2.277 8.213 1.00 0.79 H new ATOM 0 HG21 THR B 92 15.372 -0.535 5.947 1.00 0.84 H new ATOM 0 HG22 THR B 92 14.691 0.971 6.608 1.00 0.84 H new ATOM 0 HG23 THR B 92 15.589 -0.141 7.668 1.00 0.84 H new ATOM 1909 N ALA B 93 10.589 -0.053 7.760 1.00 0.72 N ATOM 1910 CA ALA B 93 9.368 0.616 7.344 1.00 0.74 C ATOM 1911 C ALA B 93 8.907 1.580 8.424 1.00 0.78 C ATOM 1912 O ALA B 93 8.465 2.689 8.133 1.00 0.78 O ATOM 1913 CB ALA B 93 8.277 -0.393 7.027 1.00 0.82 C ATOM 0 H ALA B 93 10.495 -1.058 7.904 1.00 0.72 H new ATOM 0 HA ALA B 93 9.577 1.181 6.435 1.00 0.74 H new ATOM 0 HB1 ALA B 93 7.374 0.133 6.718 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.609 -1.047 6.221 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.064 -0.990 7.914 1.00 0.82 H new ATOM 1919 N TYR B 94 9.041 1.158 9.678 1.00 0.82 N ATOM 1920 CA TYR B 94 8.650 1.993 10.801 1.00 0.90 C ATOM 1921 C TYR B 94 9.583 3.196 10.891 1.00 0.88 C ATOM 1922 O TYR B 94 9.179 4.277 11.317 1.00 0.90 O ATOM 1923 CB TYR B 94 8.671 1.202 12.111 1.00 0.98 C ATOM 1924 CG TYR B 94 7.820 1.823 13.199 1.00 1.23 C ATOM 1925 CD1 TYR B 94 6.438 1.679 13.190 1.00 1.31 C ATOM 1926 CD2 TYR B 94 8.397 2.561 14.227 1.00 1.54 C ATOM 1927 CE1 TYR B 94 5.655 2.250 14.174 1.00 1.60 C ATOM 1928 CE2 TYR B 94 7.617 3.136 15.213 1.00 1.80 C ATOM 1929 CZ TYR B 94 6.249 2.978 15.181 1.00 1.79 C ATOM 1930 OH TYR B 94 5.468 3.550 16.161 1.00 2.10 O ATOM 0 H TYR B 94 9.416 0.246 9.938 1.00 0.82 H new ATOM 0 HA TYR B 94 7.629 2.338 10.639 1.00 0.90 H new ATOM 0 HB2 TYR B 94 8.321 0.187 11.920 1.00 0.98 H new ATOM 0 HB3 TYR B 94 9.699 1.124 12.464 1.00 0.98 H new ATOM 0 HD1 TYR B 94 5.968 1.111 12.400 1.00 1.31 H new ATOM 0 HD2 TYR B 94 9.469 2.687 14.255 1.00 1.54 H new ATOM 0 HE1 TYR B 94 4.582 2.126 14.154 1.00 1.60 H new ATOM 0 HE2 TYR B 94 8.078 3.707 16.005 1.00 1.80 H new ATOM 0 HH TYR B 94 6.040 4.028 16.797 1.00 2.10 H new ATOM 1940 N ASN B 95 10.832 3.001 10.469 1.00 0.85 N ATOM 1941 CA ASN B 95 11.821 4.071 10.475 1.00 0.85 C ATOM 1942 C ASN B 95 11.371 5.186 9.549 1.00 0.81 C ATOM 1943 O ASN B 95 11.456 6.360 9.889 1.00 0.83 O ATOM 1944 CB ASN B 95 13.200 3.559 10.038 1.00 0.86 C ATOM 1945 CG ASN B 95 13.990 2.952 11.182 1.00 1.08 C ATOM 1946 OD1 ASN B 95 13.759 3.267 12.349 1.00 1.53 O ATOM 1947 ND2 ASN B 95 14.935 2.084 10.858 1.00 1.29 N ATOM 0 H ASN B 95 11.181 2.109 10.118 1.00 0.85 H new ATOM 0 HA ASN B 95 11.908 4.449 11.494 1.00 0.85 H new ATOM 0 HB2 ASN B 95 13.074 2.813 9.253 1.00 0.86 H new ATOM 0 HB3 ASN B 95 13.769 4.383 9.606 1.00 0.86 H new ATOM 0 HD21 ASN B 95 15.501 1.651 11.587 1.00 1.29 H new ATOM 0 HD22 ASN B 95 15.097 1.848 9.879 1.00 1.29 H new ATOM 1954 N PHE B 96 10.865 4.811 8.380 1.00 0.78 N ATOM 1955 CA PHE B 96 10.380 5.789 7.421 1.00 0.76 C ATOM 1956 C PHE B 96 9.044 6.358 7.883 1.00 0.79 C ATOM 1957 O PHE B 96 8.758 7.541 7.687 1.00 0.79 O ATOM 1958 CB PHE B 96 10.236 5.166 6.031 1.00 0.75 C ATOM 1959 CG PHE B 96 9.772 6.144 4.988 1.00 0.75 C ATOM 1960 CD1 PHE B 96 10.577 7.207 4.610 1.00 0.74 C ATOM 1961 CD2 PHE B 96 8.526 6.008 4.395 1.00 0.79 C ATOM 1962 CE1 PHE B 96 10.150 8.114 3.658 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.093 6.914 3.446 1.00 0.79 C ATOM 1964 CZ PHE B 96 8.906 7.969 3.077 1.00 0.77 C ATOM 0 H PHE B 96 10.781 3.841 8.077 1.00 0.78 H new ATOM 0 HA PHE B 96 11.109 6.597 7.358 1.00 0.76 H new ATOM 0 HB2 PHE B 96 11.195 4.748 5.726 1.00 0.75 H new ATOM 0 HB3 PHE B 96 9.529 4.338 6.083 1.00 0.75 H new ATOM 0 HD1 PHE B 96 11.549 7.328 5.064 1.00 0.74 H new ATOM 0 HD2 PHE B 96 7.887 5.185 4.678 1.00 0.79 H new ATOM 0 HE1 PHE B 96 10.789 8.935 3.369 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.120 6.798 2.993 1.00 0.79 H new ATOM 0 HZ PHE B 96 8.569 8.678 2.336 1.00 0.77 H new ATOM 1974 N LEU B 97 8.237 5.507 8.506 1.00 0.82 N ATOM 1975 CA LEU B 97 6.930 5.909 9.008 1.00 0.87 C ATOM 1976 C LEU B 97 7.078 7.005 10.054 1.00 0.88 C ATOM 1977 O LEU B 97 6.277 7.935 10.109 1.00 0.91 O ATOM 1978 CB LEU B 97 6.199 4.706 9.613 1.00 0.93 C ATOM 1979 CG LEU B 97 4.820 4.406 9.020 1.00 1.18 C ATOM 1980 CD1 LEU B 97 4.951 3.926 7.583 1.00 1.34 C ATOM 1981 CD2 LEU B 97 4.092 3.375 9.869 1.00 1.44 C ATOM 0 H LEU B 97 8.468 4.528 8.676 1.00 0.82 H new ATOM 0 HA LEU B 97 6.345 6.295 8.174 1.00 0.87 H new ATOM 0 HB2 LEU B 97 6.827 3.823 9.492 1.00 0.93 H new ATOM 0 HB3 LEU B 97 6.086 4.873 10.684 1.00 0.93 H new ATOM 0 HG LEU B 97 4.234 5.325 9.019 1.00 1.18 H new ATOM 0 HD11 LEU B 97 3.961 3.717 7.177 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.433 4.698 6.984 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.553 3.018 7.556 1.00 1.34 H new ATOM 0 HD21 LEU B 97 3.113 3.172 9.435 1.00 1.44 H new ATOM 0 HD22 LEU B 97 4.673 2.453 9.900 1.00 1.44 H new ATOM 0 HD23 LEU B 97 3.967 3.760 10.881 1.00 1.44 H new ATOM 1993 N GLN B 98 8.112 6.894 10.880 1.00 0.88 N ATOM 1994 CA GLN B 98 8.372 7.882 11.918 1.00 0.90 C ATOM 1995 C GLN B 98 9.202 9.038 11.361 1.00 0.89 C ATOM 1996 O GLN B 98 9.309 10.094 11.976 1.00 0.99 O ATOM 1997 CB GLN B 98 9.099 7.231 13.103 1.00 0.93 C ATOM 1998 CG GLN B 98 10.589 7.027 12.873 1.00 1.00 C ATOM 1999 CD GLN B 98 11.266 6.253 13.989 1.00 1.16 C ATOM 2000 OE1 GLN B 98 10.814 6.259 15.133 1.00 1.39 O ATOM 2001 NE2 GLN B 98 12.367 5.594 13.664 1.00 1.27 N ATOM 0 H GLN B 98 8.785 6.128 10.850 1.00 0.88 H new ATOM 0 HA GLN B 98 7.417 8.276 12.266 1.00 0.90 H new ATOM 0 HB2 GLN B 98 8.959 7.852 13.988 1.00 0.93 H new ATOM 0 HB3 GLN B 98 8.638 6.266 13.314 1.00 0.93 H new ATOM 0 HG2 GLN B 98 10.736 6.497 11.932 1.00 1.00 H new ATOM 0 HG3 GLN B 98 11.071 7.999 12.770 1.00 1.00 H new ATOM 0 HE21 GLN B 98 12.709 5.615 12.703 1.00 1.27 H new ATOM 0 HE22 GLN B 98 12.874 5.066 14.374 1.00 1.27 H new ATOM 2010 N LYS B 99 9.779 8.829 10.185 1.00 0.82 N ATOM 2011 CA LYS B 99 10.606 9.838 9.537 1.00 0.81 C ATOM 2012 C LYS B 99 9.738 10.891 8.855 1.00 0.84 C ATOM 2013 O LYS B 99 9.932 12.092 9.050 1.00 0.90 O ATOM 2014 CB LYS B 99 11.540 9.170 8.520 1.00 0.75 C ATOM 2015 CG LYS B 99 12.456 10.134 7.778 1.00 0.87 C ATOM 2016 CD LYS B 99 11.898 10.488 6.408 1.00 1.04 C ATOM 2017 CE LYS B 99 12.850 11.372 5.623 1.00 1.21 C ATOM 2018 NZ LYS B 99 12.167 12.045 4.489 1.00 1.69 N ATOM 0 H LYS B 99 9.688 7.961 9.656 1.00 0.82 H new ATOM 0 HA LYS B 99 11.208 10.338 10.296 1.00 0.81 H new ATOM 0 HB2 LYS B 99 12.153 8.432 9.038 1.00 0.75 H new ATOM 0 HB3 LYS B 99 10.936 8.629 7.792 1.00 0.75 H new ATOM 0 HG2 LYS B 99 12.583 11.043 8.366 1.00 0.87 H new ATOM 0 HG3 LYS B 99 13.443 9.686 7.666 1.00 0.87 H new ATOM 0 HD2 LYS B 99 11.705 9.574 5.847 1.00 1.04 H new ATOM 0 HD3 LYS B 99 10.942 10.998 6.526 1.00 1.04 H new ATOM 0 HE2 LYS B 99 13.280 12.123 6.286 1.00 1.21 H new ATOM 0 HE3 LYS B 99 13.677 10.771 5.245 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 12.744 11.947 3.629 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 11.237 11.606 4.334 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 12.041 13.054 4.709 1.00 1.69 H new ATOM 2032 N ASN B 100 8.780 10.440 8.055 1.00 0.85 N ATOM 2033 CA ASN B 100 7.892 11.358 7.344 1.00 0.94 C ATOM 2034 C ASN B 100 6.570 11.511 8.082 1.00 0.99 C ATOM 2035 O ASN B 100 5.696 12.259 7.648 1.00 1.09 O ATOM 2036 CB ASN B 100 7.636 10.872 5.914 1.00 0.97 C ATOM 2037 CG ASN B 100 8.406 11.669 4.876 1.00 1.10 C ATOM 2038 OD1 ASN B 100 9.509 11.290 4.477 1.00 1.14 O ATOM 2039 ND2 ASN B 100 7.834 12.773 4.420 1.00 1.50 N ATOM 0 H ASN B 100 8.597 9.452 7.881 1.00 0.85 H new ATOM 0 HA ASN B 100 8.385 12.329 7.300 1.00 0.94 H new ATOM 0 HB2 ASN B 100 7.913 9.821 5.837 1.00 0.97 H new ATOM 0 HB3 ASN B 100 6.570 10.937 5.698 1.00 0.97 H new ATOM 0 HD21 ASN B 100 8.307 13.339 3.716 1.00 1.50 H new ATOM 0 HD22 ASN B 100 6.920 13.057 4.773 1.00 1.50 H new ATOM 2046 N ASP B 101 6.443 10.797 9.201 1.00 0.96 N ATOM 2047 CA ASP B 101 5.236 10.828 10.030 1.00 1.05 C ATOM 2048 C ASP B 101 4.011 10.363 9.251 1.00 1.06 C ATOM 2049 O ASP B 101 3.184 11.167 8.811 1.00 1.14 O ATOM 2050 CB ASP B 101 4.997 12.221 10.614 1.00 1.15 C ATOM 2051 CG ASP B 101 5.875 12.504 11.815 1.00 1.24 C ATOM 2052 OD1 ASP B 101 5.524 12.065 12.931 1.00 1.37 O ATOM 2053 OD2 ASP B 101 6.916 13.175 11.656 1.00 1.97 O ATOM 0 H ASP B 101 7.173 10.181 9.559 1.00 0.96 H new ATOM 0 HA ASP B 101 5.397 10.134 10.855 1.00 1.05 H new ATOM 0 HB2 ASP B 101 5.185 12.971 9.846 1.00 1.15 H new ATOM 0 HB3 ASP B 101 3.950 12.316 10.903 1.00 1.15 H new ATOM 2058 N LEU B 102 3.914 9.057 9.072 1.00 1.03 N ATOM 2059 CA LEU B 102 2.800 8.454 8.358 1.00 1.06 C ATOM 2060 C LEU B 102 1.887 7.739 9.344 1.00 1.13 C ATOM 2061 O LEU B 102 2.169 7.699 10.541 1.00 1.21 O ATOM 2062 CB LEU B 102 3.309 7.466 7.298 1.00 0.99 C ATOM 2063 CG LEU B 102 3.343 7.993 5.856 1.00 1.12 C ATOM 2064 CD1 LEU B 102 1.945 8.365 5.384 1.00 1.66 C ATOM 2065 CD2 LEU B 102 4.280 9.185 5.738 1.00 1.51 C ATOM 0 H LEU B 102 4.602 8.386 9.416 1.00 1.03 H new ATOM 0 HA LEU B 102 2.239 9.241 7.853 1.00 1.06 H new ATOM 0 HB2 LEU B 102 4.316 7.152 7.574 1.00 0.99 H new ATOM 0 HB3 LEU B 102 2.679 6.577 7.325 1.00 0.99 H new ATOM 0 HG LEU B 102 3.721 7.196 5.215 1.00 1.12 H new ATOM 0 HD11 LEU B 102 1.993 8.736 4.360 1.00 1.66 H new ATOM 0 HD12 LEU B 102 1.302 7.485 5.421 1.00 1.66 H new ATOM 0 HD13 LEU B 102 1.537 9.141 6.032 1.00 1.66 H new ATOM 0 HD21 LEU B 102 4.288 9.541 4.708 1.00 1.51 H new ATOM 0 HD22 LEU B 102 3.937 9.984 6.396 1.00 1.51 H new ATOM 0 HD23 LEU B 102 5.288 8.886 6.026 1.00 1.51 H new ATOM 2077 N ASN B 103 0.793 7.180 8.848 1.00 1.17 N ATOM 2078 CA ASN B 103 -0.146 6.468 9.705 1.00 1.23 C ATOM 2079 C ASN B 103 0.378 5.064 10.010 1.00 1.14 C ATOM 2080 O ASN B 103 0.823 4.361 9.105 1.00 1.05 O ATOM 2081 CB ASN B 103 -1.523 6.384 9.042 1.00 1.31 C ATOM 2082 CG ASN B 103 -2.581 5.816 9.971 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -2.722 4.603 10.098 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -3.325 6.689 10.629 1.00 1.75 N ATOM 0 H ASN B 103 0.534 7.205 7.862 1.00 1.17 H new ATOM 0 HA ASN B 103 -0.245 7.019 10.640 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -1.827 7.379 8.715 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -1.456 5.762 8.149 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -4.048 6.362 11.270 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -3.176 7.689 10.495 1.00 1.75 H new ATOM 2091 N PRO B 104 0.341 4.647 11.293 1.00 1.18 N ATOM 2092 CA PRO B 104 0.816 3.321 11.728 1.00 1.12 C ATOM 2093 C PRO B 104 0.187 2.154 10.957 1.00 1.04 C ATOM 2094 O PRO B 104 0.812 1.109 10.790 1.00 1.02 O ATOM 2095 CB PRO B 104 0.401 3.261 13.201 1.00 1.22 C ATOM 2096 CG PRO B 104 0.328 4.683 13.634 1.00 1.34 C ATOM 2097 CD PRO B 104 -0.143 5.455 12.434 1.00 1.30 C ATOM 0 HA PRO B 104 1.887 3.215 11.553 1.00 1.12 H new ATOM 0 HB2 PRO B 104 -0.560 2.761 13.321 1.00 1.22 H new ATOM 0 HB3 PRO B 104 1.126 2.704 13.794 1.00 1.22 H new ATOM 0 HG2 PRO B 104 -0.361 4.802 14.470 1.00 1.34 H new ATOM 0 HG3 PRO B 104 1.302 5.039 13.970 1.00 1.34 H new ATOM 0 HD2 PRO B 104 -1.228 5.557 12.422 1.00 1.30 H new ATOM 0 HD3 PRO B 104 0.272 6.463 12.417 1.00 1.30 H new ATOM 2105 N MET B 105 -1.040 2.337 10.479 1.00 1.03 N ATOM 2106 CA MET B 105 -1.738 1.281 9.743 1.00 1.01 C ATOM 2107 C MET B 105 -1.121 1.069 8.359 1.00 1.00 C ATOM 2108 O MET B 105 -1.320 0.029 7.731 1.00 1.03 O ATOM 2109 CB MET B 105 -3.228 1.618 9.610 1.00 1.05 C ATOM 2110 CG MET B 105 -4.092 0.450 9.154 1.00 1.03 C ATOM 2111 SD MET B 105 -3.954 -0.988 10.237 1.00 1.43 S ATOM 2112 CE MET B 105 -4.480 -0.299 11.808 1.00 1.60 C ATOM 0 H MET B 105 -1.572 3.201 10.586 1.00 1.03 H new ATOM 0 HA MET B 105 -1.632 0.354 10.307 1.00 1.01 H new ATOM 0 HB2 MET B 105 -3.596 1.974 10.572 1.00 1.05 H new ATOM 0 HB3 MET B 105 -3.342 2.438 8.902 1.00 1.05 H new ATOM 0 HG2 MET B 105 -5.133 0.769 9.112 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.805 0.165 8.142 1.00 1.03 H new ATOM 0 HE1 MET B 105 -4.702 -1.108 12.504 1.00 1.60 H new ATOM 0 HE2 MET B 105 -3.684 0.323 12.217 1.00 1.60 H new ATOM 0 HE3 MET B 105 -5.374 0.307 11.659 1.00 1.60 H new ATOM 2122 N PHE B 106 -0.356 2.047 7.897 1.00 1.00 N ATOM 2123 CA PHE B 106 0.285 1.967 6.587 1.00 1.03 C ATOM 2124 C PHE B 106 1.511 1.055 6.644 1.00 0.99 C ATOM 2125 O PHE B 106 2.069 0.683 5.610 1.00 0.98 O ATOM 2126 CB PHE B 106 0.692 3.368 6.124 1.00 1.06 C ATOM 2127 CG PHE B 106 0.868 3.498 4.635 1.00 1.38 C ATOM 2128 CD1 PHE B 106 -0.232 3.631 3.806 1.00 1.72 C ATOM 2129 CD2 PHE B 106 2.133 3.488 4.068 1.00 1.92 C ATOM 2130 CE1 PHE B 106 -0.076 3.749 2.439 1.00 2.20 C ATOM 2131 CE2 PHE B 106 2.295 3.606 2.701 1.00 2.44 C ATOM 2132 CZ PHE B 106 1.189 3.736 1.885 1.00 2.46 C ATOM 0 H PHE B 106 -0.162 2.908 8.409 1.00 1.00 H new ATOM 0 HA PHE B 106 -0.424 1.546 5.875 1.00 1.03 H new ATOM 0 HB2 PHE B 106 -0.064 4.081 6.453 1.00 1.06 H new ATOM 0 HB3 PHE B 106 1.625 3.644 6.615 1.00 1.06 H new ATOM 0 HD1 PHE B 106 -1.224 3.643 4.233 1.00 1.72 H new ATOM 0 HD2 PHE B 106 3.002 3.387 4.702 1.00 1.92 H new ATOM 0 HE1 PHE B 106 -0.943 3.851 1.803 1.00 2.20 H new ATOM 0 HE2 PHE B 106 3.286 3.597 2.271 1.00 2.44 H new ATOM 0 HZ PHE B 106 1.313 3.827 0.816 1.00 2.46 H new ATOM 2142 N LEU B 107 1.911 0.691 7.860 1.00 1.00 N ATOM 2143 CA LEU B 107 3.070 -0.172 8.076 1.00 0.97 C ATOM 2144 C LEU B 107 2.904 -1.517 7.376 1.00 0.99 C ATOM 2145 O LEU B 107 3.860 -2.051 6.817 1.00 0.90 O ATOM 2146 CB LEU B 107 3.289 -0.401 9.575 1.00 1.00 C ATOM 2147 CG LEU B 107 4.492 -1.278 9.934 1.00 0.99 C ATOM 2148 CD1 LEU B 107 5.785 -0.501 9.769 1.00 0.98 C ATOM 2149 CD2 LEU B 107 4.358 -1.808 11.354 1.00 1.10 C ATOM 0 H LEU B 107 1.444 0.984 8.719 1.00 1.00 H new ATOM 0 HA LEU B 107 3.938 0.332 7.651 1.00 0.97 H new ATOM 0 HB2 LEU B 107 3.409 0.568 10.060 1.00 1.00 H new ATOM 0 HB3 LEU B 107 2.391 -0.857 9.991 1.00 1.00 H new ATOM 0 HG LEU B 107 4.517 -2.128 9.253 1.00 0.99 H new ATOM 0 HD11 LEU B 107 6.629 -1.140 10.028 1.00 0.98 H new ATOM 0 HD12 LEU B 107 5.883 -0.173 8.734 1.00 0.98 H new ATOM 0 HD13 LEU B 107 5.773 0.369 10.426 1.00 0.98 H new ATOM 0 HD21 LEU B 107 5.221 -2.429 11.593 1.00 1.10 H new ATOM 0 HD22 LEU B 107 4.308 -0.972 12.051 1.00 1.10 H new ATOM 0 HD23 LEU B 107 3.449 -2.403 11.436 1.00 1.10 H new ATOM 2161 N ASP B 108 1.687 -2.051 7.406 1.00 1.16 N ATOM 2162 CA ASP B 108 1.395 -3.344 6.784 1.00 1.22 C ATOM 2163 C ASP B 108 1.715 -3.314 5.293 1.00 1.10 C ATOM 2164 O ASP B 108 2.419 -4.185 4.782 1.00 1.08 O ATOM 2165 CB ASP B 108 -0.080 -3.716 6.989 1.00 1.48 C ATOM 2166 CG ASP B 108 -0.361 -5.189 6.737 1.00 1.75 C ATOM 2167 OD1 ASP B 108 -0.150 -5.663 5.602 1.00 2.33 O ATOM 2168 OD2 ASP B 108 -0.796 -5.883 7.679 1.00 2.08 O ATOM 0 H ASP B 108 0.884 -1.610 7.854 1.00 1.16 H new ATOM 0 HA ASP B 108 2.023 -4.096 7.261 1.00 1.22 H new ATOM 0 HB2 ASP B 108 -0.374 -3.465 8.008 1.00 1.48 H new ATOM 0 HB3 ASP B 108 -0.697 -3.115 6.321 1.00 1.48 H new ATOM 2173 N GLN B 109 1.228 -2.279 4.618 1.00 1.14 N ATOM 2174 CA GLN B 109 1.422 -2.130 3.181 1.00 1.10 C ATOM 2175 C GLN B 109 2.899 -2.088 2.793 1.00 0.94 C ATOM 2176 O GLN B 109 3.339 -2.857 1.938 1.00 0.94 O ATOM 2177 CB GLN B 109 0.717 -0.870 2.678 1.00 1.23 C ATOM 2178 CG GLN B 109 0.953 -0.597 1.200 1.00 1.27 C ATOM 2179 CD GLN B 109 -0.018 0.410 0.623 1.00 1.45 C ATOM 2180 OE1 GLN B 109 -1.169 0.494 1.045 1.00 1.58 O ATOM 2181 NE2 GLN B 109 0.438 1.169 -0.359 1.00 1.98 N ATOM 0 H GLN B 109 0.692 -1.525 5.047 1.00 1.14 H new ATOM 0 HA GLN B 109 0.985 -3.009 2.708 1.00 1.10 H new ATOM 0 HB2 GLN B 109 -0.354 -0.966 2.856 1.00 1.23 H new ATOM 0 HB3 GLN B 109 1.061 -0.014 3.258 1.00 1.23 H new ATOM 0 HG2 GLN B 109 1.971 -0.233 1.061 1.00 1.27 H new ATOM 0 HG3 GLN B 109 0.871 -1.532 0.646 1.00 1.27 H new ATOM 0 HE21 GLN B 109 1.401 1.066 -0.678 1.00 1.98 H new ATOM 0 HE22 GLN B 109 -0.173 1.858 -0.797 1.00 1.98 H new ATOM 2190 N VAL B 110 3.659 -1.199 3.420 1.00 0.88 N ATOM 2191 CA VAL B 110 5.077 -1.059 3.100 1.00 0.78 C ATOM 2192 C VAL B 110 5.873 -2.303 3.490 1.00 0.76 C ATOM 2193 O VAL B 110 6.810 -2.686 2.789 1.00 0.76 O ATOM 2194 CB VAL B 110 5.710 0.189 3.752 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.353 1.435 2.960 1.00 0.74 C ATOM 2196 CG2 VAL B 110 5.276 0.339 5.201 1.00 0.79 C ATOM 0 H VAL B 110 3.323 -0.568 4.147 1.00 0.88 H new ATOM 0 HA VAL B 110 5.125 -0.936 2.018 1.00 0.78 H new ATOM 0 HB VAL B 110 6.792 0.060 3.741 1.00 0.70 H new ATOM 0 HG11 VAL B 110 5.806 2.308 3.431 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.727 1.338 1.941 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.270 1.555 2.939 1.00 0.74 H new ATOM 0 HG21 VAL B 110 5.740 1.227 5.630 1.00 0.79 H new ATOM 0 HG22 VAL B 110 4.191 0.438 5.248 1.00 0.79 H new ATOM 0 HG23 VAL B 110 5.585 -0.540 5.766 1.00 0.79 H new ATOM 2206 N ALA B 111 5.491 -2.938 4.595 1.00 0.77 N ATOM 2207 CA ALA B 111 6.184 -4.138 5.055 1.00 0.77 C ATOM 2208 C ALA B 111 6.005 -5.283 4.065 1.00 0.82 C ATOM 2209 O ALA B 111 6.940 -6.039 3.802 1.00 0.80 O ATOM 2210 CB ALA B 111 5.691 -4.550 6.439 1.00 0.81 C ATOM 0 H ALA B 111 4.712 -2.645 5.184 1.00 0.77 H new ATOM 0 HA ALA B 111 7.247 -3.906 5.122 1.00 0.77 H new ATOM 0 HB1 ALA B 111 6.221 -5.446 6.762 1.00 0.81 H new ATOM 0 HB2 ALA B 111 5.878 -3.743 7.147 1.00 0.81 H new ATOM 0 HB3 ALA B 111 4.621 -4.756 6.398 1.00 0.81 H new ATOM 2216 N LYS B 112 4.801 -5.391 3.509 1.00 0.89 N ATOM 2217 CA LYS B 112 4.486 -6.440 2.543 1.00 0.96 C ATOM 2218 C LYS B 112 5.378 -6.334 1.307 1.00 0.96 C ATOM 2219 O LYS B 112 5.888 -7.343 0.811 1.00 1.00 O ATOM 2220 CB LYS B 112 3.020 -6.357 2.119 1.00 1.05 C ATOM 2221 CG LYS B 112 2.031 -6.758 3.202 1.00 1.15 C ATOM 2222 CD LYS B 112 2.020 -8.261 3.433 1.00 1.13 C ATOM 2223 CE LYS B 112 0.779 -8.696 4.197 1.00 1.18 C ATOM 2224 NZ LYS B 112 0.728 -8.112 5.567 1.00 1.69 N ATOM 0 H LYS B 112 4.024 -4.762 3.712 1.00 0.89 H new ATOM 0 HA LYS B 112 4.668 -7.399 3.027 1.00 0.96 H new ATOM 0 HB2 LYS B 112 2.802 -5.336 1.805 1.00 1.05 H new ATOM 0 HB3 LYS B 112 2.869 -6.997 1.250 1.00 1.05 H new ATOM 0 HG2 LYS B 112 2.286 -6.250 4.132 1.00 1.15 H new ATOM 0 HG3 LYS B 112 1.031 -6.427 2.921 1.00 1.15 H new ATOM 0 HD2 LYS B 112 2.059 -8.778 2.474 1.00 1.13 H new ATOM 0 HD3 LYS B 112 2.912 -8.552 3.988 1.00 1.13 H new ATOM 0 HE2 LYS B 112 -0.110 -8.396 3.643 1.00 1.18 H new ATOM 0 HE3 LYS B 112 0.760 -9.784 4.267 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 -0.134 -8.435 6.050 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 1.563 -8.418 6.106 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 0.720 -7.074 5.502 1.00 1.69 H new ATOM 2238 N PHE B 113 5.568 -5.111 0.823 1.00 0.94 N ATOM 2239 CA PHE B 113 6.396 -4.877 -0.355 1.00 0.96 C ATOM 2240 C PHE B 113 7.850 -5.232 -0.075 1.00 0.90 C ATOM 2241 O PHE B 113 8.539 -5.796 -0.927 1.00 0.96 O ATOM 2242 CB PHE B 113 6.284 -3.422 -0.813 1.00 0.96 C ATOM 2243 CG PHE B 113 5.024 -3.125 -1.578 1.00 1.20 C ATOM 2244 CD1 PHE B 113 4.773 -3.744 -2.793 1.00 1.55 C ATOM 2245 CD2 PHE B 113 4.088 -2.227 -1.084 1.00 1.58 C ATOM 2246 CE1 PHE B 113 3.615 -3.476 -3.499 1.00 2.03 C ATOM 2247 CE2 PHE B 113 2.930 -1.955 -1.787 1.00 2.05 C ATOM 2248 CZ PHE B 113 2.693 -2.578 -2.997 1.00 2.21 C ATOM 0 H PHE B 113 5.161 -4.268 1.227 1.00 0.94 H new ATOM 0 HA PHE B 113 6.033 -5.522 -1.155 1.00 0.96 H new ATOM 0 HB2 PHE B 113 6.331 -2.771 0.060 1.00 0.96 H new ATOM 0 HB3 PHE B 113 7.144 -3.180 -1.438 1.00 0.96 H new ATOM 0 HD1 PHE B 113 5.491 -4.444 -3.193 1.00 1.55 H new ATOM 0 HD2 PHE B 113 4.267 -1.735 -0.139 1.00 1.58 H new ATOM 0 HE1 PHE B 113 3.431 -3.968 -4.442 1.00 2.03 H new ATOM 0 HE2 PHE B 113 2.210 -1.255 -1.390 1.00 2.05 H new ATOM 0 HZ PHE B 113 1.790 -2.364 -3.549 1.00 2.21 H new ATOM 2258 N ILE B 114 8.307 -4.905 1.127 1.00 0.80 N ATOM 2259 CA ILE B 114 9.675 -5.195 1.536 1.00 0.77 C ATOM 2260 C ILE B 114 9.930 -6.701 1.523 1.00 0.82 C ATOM 2261 O ILE B 114 11.000 -7.163 1.123 1.00 0.84 O ATOM 2262 CB ILE B 114 9.964 -4.643 2.950 1.00 0.69 C ATOM 2263 CG1 ILE B 114 9.947 -3.114 2.947 1.00 0.69 C ATOM 2264 CG2 ILE B 114 11.296 -5.160 3.468 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.123 -2.509 4.322 1.00 0.63 C ATOM 0 H ILE B 114 7.747 -4.436 1.839 1.00 0.80 H new ATOM 0 HA ILE B 114 10.340 -4.706 0.824 1.00 0.77 H new ATOM 0 HB ILE B 114 9.177 -4.994 3.618 1.00 0.69 H new ATOM 0 HG12 ILE B 114 10.740 -2.750 2.294 1.00 0.69 H new ATOM 0 HG13 ILE B 114 9.003 -2.769 2.524 1.00 0.69 H new ATOM 0 HG21 ILE B 114 11.479 -4.759 4.465 1.00 0.68 H new ATOM 0 HG22 ILE B 114 11.271 -6.249 3.514 1.00 0.68 H new ATOM 0 HG23 ILE B 114 12.095 -4.844 2.797 1.00 0.68 H new ATOM 0 HD11 ILE B 114 10.101 -1.422 4.247 1.00 0.63 H new ATOM 0 HD12 ILE B 114 9.315 -2.844 4.973 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.079 -2.825 4.739 1.00 0.63 H new ATOM 2277 N ILE B 115 8.929 -7.458 1.952 1.00 0.86 N ATOM 2278 CA ILE B 115 9.027 -8.910 2.004 1.00 0.94 C ATOM 2279 C ILE B 115 9.250 -9.508 0.615 1.00 0.95 C ATOM 2280 O ILE B 115 10.136 -10.340 0.434 1.00 1.00 O ATOM 2281 CB ILE B 115 7.769 -9.536 2.646 1.00 1.00 C ATOM 2282 CG1 ILE B 115 7.653 -9.098 4.110 1.00 1.03 C ATOM 2283 CG2 ILE B 115 7.809 -11.058 2.546 1.00 1.07 C ATOM 2284 CD1 ILE B 115 6.351 -9.506 4.769 1.00 1.10 C ATOM 0 H ILE B 115 8.034 -7.087 2.271 1.00 0.86 H new ATOM 0 HA ILE B 115 9.891 -9.146 2.625 1.00 0.94 H new ATOM 0 HB ILE B 115 6.892 -9.185 2.102 1.00 1.00 H new ATOM 0 HG12 ILE B 115 8.483 -9.523 4.674 1.00 1.03 H new ATOM 0 HG13 ILE B 115 7.753 -8.014 4.164 1.00 1.03 H new ATOM 0 HG21 ILE B 115 6.913 -11.476 3.005 1.00 1.07 H new ATOM 0 HG22 ILE B 115 7.851 -11.353 1.497 1.00 1.07 H new ATOM 0 HG23 ILE B 115 8.691 -11.434 3.064 1.00 1.07 H new ATOM 0 HD11 ILE B 115 6.343 -9.161 5.803 1.00 1.10 H new ATOM 0 HD12 ILE B 115 5.515 -9.059 4.231 1.00 1.10 H new ATOM 0 HD13 ILE B 115 6.257 -10.592 4.748 1.00 1.10 H new ATOM 2296 N ASP B 116 8.467 -9.069 -0.373 1.00 0.93 N ATOM 2297 CA ASP B 116 8.604 -9.603 -1.729 1.00 0.97 C ATOM 2298 C ASP B 116 9.932 -9.198 -2.353 1.00 0.95 C ATOM 2299 O ASP B 116 10.480 -9.929 -3.180 1.00 0.96 O ATOM 2300 CB ASP B 116 7.457 -9.165 -2.640 1.00 1.05 C ATOM 2301 CG ASP B 116 7.377 -10.036 -3.881 1.00 1.19 C ATOM 2302 OD1 ASP B 116 7.179 -11.261 -3.737 1.00 1.25 O ATOM 2303 OD2 ASP B 116 7.521 -9.513 -5.004 1.00 1.38 O ATOM 0 H ASP B 116 7.744 -8.358 -0.263 1.00 0.93 H new ATOM 0 HA ASP B 116 8.570 -10.688 -1.635 1.00 0.97 H new ATOM 0 HB2 ASP B 116 6.515 -9.218 -2.094 1.00 1.05 H new ATOM 0 HB3 ASP B 116 7.598 -8.124 -2.932 1.00 1.05 H new ATOM 2308 N ASN B 117 10.451 -8.047 -1.940 1.00 0.93 N ATOM 2309 CA ASN B 117 11.727 -7.539 -2.449 1.00 0.92 C ATOM 2310 C ASN B 117 12.834 -8.577 -2.286 1.00 0.91 C ATOM 2311 O ASN B 117 13.641 -8.788 -3.191 1.00 0.93 O ATOM 2312 CB ASN B 117 12.112 -6.246 -1.714 1.00 0.90 C ATOM 2313 CG ASN B 117 13.496 -5.734 -2.089 1.00 0.96 C ATOM 2314 OD1 ASN B 117 13.657 -4.996 -3.060 1.00 1.13 O ATOM 2315 ND2 ASN B 117 14.505 -6.119 -1.316 1.00 0.90 N ATOM 0 H ASN B 117 10.007 -7.442 -1.249 1.00 0.93 H new ATOM 0 HA ASN B 117 11.608 -7.328 -3.512 1.00 0.92 H new ATOM 0 HB2 ASN B 117 11.374 -5.475 -1.936 1.00 0.90 H new ATOM 0 HB3 ASN B 117 12.075 -6.422 -0.639 1.00 0.90 H new ATOM 0 HD21 ASN B 117 15.453 -5.802 -1.519 1.00 0.90 H new ATOM 0 HD22 ASN B 117 14.332 -6.732 -0.519 1.00 0.90 H new ATOM 2322 N THR B 118 12.849 -9.240 -1.143 1.00 0.91 N ATOM 2323 CA THR B 118 13.862 -10.245 -0.862 1.00 0.93 C ATOM 2324 C THR B 118 13.277 -11.661 -0.916 1.00 0.95 C ATOM 2325 O THR B 118 13.873 -12.613 -0.409 1.00 0.99 O ATOM 2326 CB THR B 118 14.494 -9.991 0.519 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.365 -8.600 0.856 1.00 0.98 O ATOM 2328 CG2 THR B 118 15.970 -10.375 0.527 1.00 1.04 C ATOM 0 H THR B 118 12.171 -9.101 -0.393 1.00 0.91 H new ATOM 0 HA THR B 118 14.630 -10.167 -1.631 1.00 0.93 H new ATOM 0 HB THR B 118 13.972 -10.606 1.252 1.00 0.89 H new ATOM 0 HG1 THR B 118 14.766 -8.438 1.736 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.390 -10.185 1.515 1.00 1.04 H new ATOM 0 HG22 THR B 118 16.072 -11.433 0.287 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.504 -9.782 -0.215 1.00 1.04 H new ATOM 2336 N LYS B 119 12.116 -11.798 -1.547 1.00 1.14 N ATOM 2337 CA LYS B 119 11.462 -13.098 -1.667 1.00 1.18 C ATOM 2338 C LYS B 119 11.259 -13.464 -3.134 1.00 1.25 C ATOM 2339 O LYS B 119 11.660 -14.541 -3.574 1.00 1.18 O ATOM 2340 CB LYS B 119 10.119 -13.088 -0.931 1.00 1.16 C ATOM 2341 CG LYS B 119 9.300 -14.358 -1.103 1.00 1.26 C ATOM 2342 CD LYS B 119 7.898 -14.204 -0.525 1.00 1.11 C ATOM 2343 CE LYS B 119 7.180 -12.998 -1.114 1.00 1.63 C ATOM 2344 NZ LYS B 119 5.712 -13.063 -0.900 1.00 2.10 N ATOM 0 H LYS B 119 11.609 -11.028 -1.983 1.00 1.14 H new ATOM 0 HA LYS B 119 12.105 -13.850 -1.210 1.00 1.18 H new ATOM 0 HB2 LYS B 119 10.302 -12.929 0.132 1.00 1.16 H new ATOM 0 HB3 LYS B 119 9.531 -12.240 -1.284 1.00 1.16 H new ATOM 0 HG2 LYS B 119 9.232 -14.607 -2.162 1.00 1.26 H new ATOM 0 HG3 LYS B 119 9.808 -15.188 -0.612 1.00 1.26 H new ATOM 0 HD2 LYS B 119 7.320 -15.106 -0.725 1.00 1.11 H new ATOM 0 HD3 LYS B 119 7.960 -14.099 0.558 1.00 1.11 H new ATOM 0 HE2 LYS B 119 7.572 -12.087 -0.662 1.00 1.63 H new ATOM 0 HE3 LYS B 119 7.388 -12.939 -2.182 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 5.233 -12.450 -1.591 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 5.386 -14.043 -1.022 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 5.487 -12.741 0.063 1.00 2.10 H new ATOM 2358 N GLY B 120 10.644 -12.561 -3.886 1.00 1.50 N ATOM 2359 CA GLY B 120 10.412 -12.804 -5.294 1.00 1.61 C ATOM 2360 C GLY B 120 9.257 -13.754 -5.548 1.00 1.60 C ATOM 2361 O GLY B 120 9.464 -14.899 -5.949 1.00 1.81 O ATOM 0 H GLY B 120 10.301 -11.663 -3.544 1.00 1.50 H new ATOM 0 HA2 GLY B 120 10.212 -11.856 -5.793 1.00 1.61 H new ATOM 0 HA3 GLY B 120 11.318 -13.214 -5.741 1.00 1.61 H new ATOM 2365 N GLN B 121 8.038 -13.284 -5.321 1.00 1.41 N ATOM 2366 CA GLN B 121 6.851 -14.101 -5.549 1.00 1.44 C ATOM 2367 C GLN B 121 5.749 -13.279 -6.214 1.00 1.31 C ATOM 2368 O GLN B 121 5.075 -13.749 -7.129 1.00 1.43 O ATOM 2369 CB GLN B 121 6.347 -14.684 -4.229 1.00 1.40 C ATOM 2370 CG GLN B 121 5.124 -15.578 -4.383 1.00 1.46 C ATOM 2371 CD GLN B 121 4.519 -15.969 -3.049 1.00 1.55 C ATOM 2372 OE1 GLN B 121 4.635 -15.238 -2.066 1.00 1.64 O ATOM 2373 NE2 GLN B 121 3.864 -17.118 -3.007 1.00 2.11 N ATOM 0 H GLN B 121 7.844 -12.343 -4.980 1.00 1.41 H new ATOM 0 HA GLN B 121 7.122 -14.919 -6.216 1.00 1.44 H new ATOM 0 HB2 GLN B 121 7.149 -15.258 -3.765 1.00 1.40 H new ATOM 0 HB3 GLN B 121 6.106 -13.867 -3.549 1.00 1.40 H new ATOM 0 HG2 GLN B 121 4.373 -15.061 -4.981 1.00 1.46 H new ATOM 0 HG3 GLN B 121 5.403 -16.479 -4.930 1.00 1.46 H new ATOM 0 HE21 GLN B 121 3.791 -17.695 -3.845 1.00 2.11 H new ATOM 0 HE22 GLN B 121 3.432 -17.427 -2.136 1.00 2.11 H new ATOM 2382 N MET B 122 5.575 -12.047 -5.758 1.00 1.11 N ATOM 2383 CA MET B 122 4.550 -11.172 -6.305 1.00 1.05 C ATOM 2384 C MET B 122 5.065 -10.413 -7.521 1.00 1.07 C ATOM 2385 O MET B 122 4.524 -10.547 -8.620 1.00 1.09 O ATOM 2386 CB MET B 122 4.062 -10.179 -5.245 1.00 1.10 C ATOM 2387 CG MET B 122 3.028 -10.752 -4.288 1.00 0.99 C ATOM 2388 SD MET B 122 3.758 -11.716 -2.948 1.00 1.81 S ATOM 2389 CE MET B 122 2.284 -12.251 -2.081 1.00 1.92 C ATOM 0 H MET B 122 6.131 -11.631 -5.011 1.00 1.11 H new ATOM 0 HA MET B 122 3.715 -11.800 -6.616 1.00 1.05 H new ATOM 0 HB2 MET B 122 4.919 -9.828 -4.670 1.00 1.10 H new ATOM 0 HB3 MET B 122 3.636 -9.310 -5.746 1.00 1.10 H new ATOM 0 HG2 MET B 122 2.444 -9.936 -3.863 1.00 0.99 H new ATOM 0 HG3 MET B 122 2.336 -11.383 -4.846 1.00 0.99 H new ATOM 0 HE1 MET B 122 2.568 -12.860 -1.223 1.00 1.92 H new ATOM 0 HE2 MET B 122 1.726 -11.379 -1.739 1.00 1.92 H new ATOM 0 HE3 MET B 122 1.660 -12.840 -2.753 1.00 1.92 H new ATOM 2399 N LEU B 123 6.116 -9.630 -7.321 1.00 1.19 N ATOM 2400 CA LEU B 123 6.686 -8.831 -8.398 1.00 1.33 C ATOM 2401 C LEU B 123 7.974 -9.448 -8.932 1.00 1.36 C ATOM 2402 O LEU B 123 8.187 -9.512 -10.143 1.00 1.48 O ATOM 2403 CB LEU B 123 6.964 -7.405 -7.906 1.00 1.57 C ATOM 2404 CG LEU B 123 5.801 -6.724 -7.183 1.00 1.57 C ATOM 2405 CD1 LEU B 123 6.267 -5.440 -6.518 1.00 1.82 C ATOM 2406 CD2 LEU B 123 4.659 -6.443 -8.147 1.00 1.59 C ATOM 0 H LEU B 123 6.591 -9.531 -6.424 1.00 1.19 H new ATOM 0 HA LEU B 123 5.960 -8.804 -9.210 1.00 1.33 H new ATOM 0 HB2 LEU B 123 7.822 -7.431 -7.235 1.00 1.57 H new ATOM 0 HB3 LEU B 123 7.247 -6.792 -8.762 1.00 1.57 H new ATOM 0 HG LEU B 123 5.436 -7.400 -6.410 1.00 1.57 H new ATOM 0 HD11 LEU B 123 5.427 -4.969 -6.008 1.00 1.82 H new ATOM 0 HD12 LEU B 123 7.049 -5.668 -5.794 1.00 1.82 H new ATOM 0 HD13 LEU B 123 6.660 -4.761 -7.274 1.00 1.82 H new ATOM 0 HD21 LEU B 123 3.842 -5.958 -7.612 1.00 1.59 H new ATOM 0 HD22 LEU B 123 5.009 -5.788 -8.945 1.00 1.59 H new ATOM 0 HD23 LEU B 123 4.306 -7.381 -8.576 1.00 1.59 H new ATOM 2418 N GLY B 124 8.830 -9.899 -8.022 1.00 1.44 N ATOM 2419 CA GLY B 124 10.102 -10.484 -8.415 1.00 1.48 C ATOM 2420 C GLY B 124 9.962 -11.762 -9.223 1.00 1.77 C ATOM 2421 O GLY B 124 10.290 -11.792 -10.411 1.00 2.49 O ATOM 0 H GLY B 124 8.667 -9.870 -7.016 1.00 1.44 H new ATOM 0 HA2 GLY B 124 10.662 -9.754 -9.000 1.00 1.48 H new ATOM 0 HA3 GLY B 124 10.688 -10.693 -7.520 1.00 1.48 H new ATOM 2425 N LEU B 125 9.462 -12.811 -8.569 1.00 1.39 N ATOM 2426 CA LEU B 125 9.280 -14.126 -9.185 1.00 1.59 C ATOM 2427 C LEU B 125 10.626 -14.752 -9.558 1.00 1.56 C ATOM 2428 O LEU B 125 11.215 -15.484 -8.764 1.00 1.53 O ATOM 2429 CB LEU B 125 8.359 -14.035 -10.405 1.00 1.94 C ATOM 2430 CG LEU B 125 6.888 -13.769 -10.081 1.00 1.48 C ATOM 2431 CD1 LEU B 125 6.345 -12.639 -10.944 1.00 1.69 C ATOM 2432 CD2 LEU B 125 6.066 -15.036 -10.277 1.00 1.63 C ATOM 0 H LEU B 125 9.170 -12.772 -7.592 1.00 1.39 H new ATOM 0 HA LEU B 125 8.804 -14.776 -8.451 1.00 1.59 H new ATOM 0 HB2 LEU B 125 8.722 -13.241 -11.058 1.00 1.94 H new ATOM 0 HB3 LEU B 125 8.430 -14.967 -10.966 1.00 1.94 H new ATOM 0 HG LEU B 125 6.813 -13.466 -9.037 1.00 1.48 H new ATOM 0 HD11 LEU B 125 5.297 -12.465 -10.699 1.00 1.69 H new ATOM 0 HD12 LEU B 125 6.917 -11.731 -10.756 1.00 1.69 H new ATOM 0 HD13 LEU B 125 6.431 -12.911 -11.996 1.00 1.69 H new ATOM 0 HD21 LEU B 125 5.021 -14.832 -10.043 1.00 1.63 H new ATOM 0 HD22 LEU B 125 6.148 -15.366 -11.313 1.00 1.63 H new ATOM 0 HD23 LEU B 125 6.440 -15.818 -9.616 1.00 1.63 H new ATOM 2444 N GLY B 126 11.121 -14.445 -10.754 1.00 2.19 N ATOM 2445 CA GLY B 126 12.396 -14.985 -11.195 1.00 2.27 C ATOM 2446 C GLY B 126 12.325 -16.463 -11.505 1.00 2.45 C ATOM 2447 O GLY B 126 13.283 -17.204 -11.275 1.00 2.74 O ATOM 0 H GLY B 126 10.661 -13.831 -11.427 1.00 2.19 H new ATOM 0 HA2 GLY B 126 12.727 -14.447 -12.083 1.00 2.27 H new ATOM 0 HA3 GLY B 126 13.145 -14.815 -10.422 1.00 2.27 H new ATOM 2451 N ASN B 127 11.194 -16.888 -12.040 1.00 2.74 N ATOM 2452 CA ASN B 127 10.980 -18.288 -12.380 1.00 3.06 C ATOM 2453 C ASN B 127 11.058 -18.487 -13.892 1.00 4.10 C ATOM 2454 O ASN B 127 10.898 -17.530 -14.652 1.00 4.81 O ATOM 2455 CB ASN B 127 9.619 -18.760 -11.854 1.00 3.42 C ATOM 2456 CG ASN B 127 8.445 -18.142 -12.593 1.00 4.44 C ATOM 2457 OD1 ASN B 127 8.474 -16.968 -12.967 1.00 4.51 O ATOM 2458 ND2 ASN B 127 7.404 -18.928 -12.807 1.00 5.34 N ATOM 0 H ASN B 127 10.403 -16.280 -12.251 1.00 2.74 H new ATOM 0 HA ASN B 127 11.763 -18.882 -11.910 1.00 3.06 H new ATOM 0 HB2 ASN B 127 9.561 -19.845 -11.937 1.00 3.42 H new ATOM 0 HB3 ASN B 127 9.542 -18.516 -10.794 1.00 3.42 H new ATOM 0 HD21 ASN B 127 6.586 -18.568 -13.298 1.00 5.34 H new ATOM 0 HD22 ASN B 127 7.419 -19.895 -12.481 1.00 5.34 H new ATOM 2465 N PRO B 128 11.338 -19.716 -14.354 1.00 4.39 N ATOM 2466 CA PRO B 128 11.420 -20.019 -15.782 1.00 5.57 C ATOM 2467 C PRO B 128 10.054 -19.929 -16.454 1.00 6.29 C ATOM 2468 O PRO B 128 9.262 -20.885 -16.320 1.00 6.27 O ATOM 2469 CB PRO B 128 11.952 -21.458 -15.835 1.00 5.65 C ATOM 2470 CG PRO B 128 12.439 -21.752 -14.453 1.00 4.63 C ATOM 2471 CD PRO B 128 11.610 -20.903 -13.536 1.00 3.74 C ATOM 2472 OXT PRO B 128 9.775 -18.901 -17.110 1.00 7.06 O ATOM 0 HA PRO B 128 12.058 -19.311 -16.311 1.00 5.57 H new ATOM 0 HB2 PRO B 128 11.169 -22.156 -16.132 1.00 5.65 H new ATOM 0 HB3 PRO B 128 12.757 -21.553 -16.564 1.00 5.65 H new ATOM 0 HG2 PRO B 128 12.325 -22.810 -14.215 1.00 4.63 H new ATOM 0 HG3 PRO B 128 13.498 -21.515 -14.353 1.00 4.63 H new ATOM 0 HD2 PRO B 128 10.691 -21.408 -13.237 1.00 3.74 H new ATOM 0 HD3 PRO B 128 12.147 -20.650 -12.622 1.00 3.74 H new TER 2480 PRO B 128