USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ -148:sc= 0.0291 (180deg=-0.247) USER MOD Set 1.2: A 59 TYR OH : rot 127:sc= -0.741 USER MOD Set 2.1: A 55 THR OG1 : rot -64:sc= 1.86 USER MOD Set 2.2: A 57 SER OG : rot -20:sc= 0.402 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.179 K(o=-1.7,f=-5.2!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 159:sc= -1.56 (180deg=-1.63) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -120:sc= 0.269 (180deg=-1.02) USER MOD Set 4.2: A 68 HIS : no HE2:sc= -0.529 X(o=-0.26,f=-0.42) USER MOD Single : A 1 MET CE :methyl -136:sc= -0.208 (180deg=-1.23) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 7 THR OG1 : rot -72:sc= 0.175 USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.72 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.258 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 136:sc= -1.72 (180deg=-2.55!) USER MOD Single : A 31 GLN : amide:sc= -1.01 X(o=-1,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0.00183 (180deg=-0.0135) USER MOD Single : A 40 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.3) USER MOD Single : A 49 GLN : amide:sc= -1.85 K(o=-1.9,f=-3.4!) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00202 F(o=-0.55,f=-0.002) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.112 F(o=-1.2,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= 0.335 (180deg=-0.313) USER MOD Single : A 65 SER OG : rot 114:sc= 0.0863 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 CYS SG : rot 180:sc= -2.89! USER MOD Single : B 11 THR OG1 : rot -160:sc= 0 USER MOD Single : B 15 TYR OH : rot -98:sc= 0.225 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot -71:sc= 0.174 USER MOD Single : B 19 ASN :FLIP amide:sc= -0.177 F(o=-1.8!,f=-0.18) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.406 USER MOD Single : B 32 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.29) USER MOD Single : B 35 SER OG : rot -15:sc= 0.846 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -100:sc= 1.32 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.3!) USER MOD Single : B 51 LYS NZ :NH3+ -166:sc=-0.00962 (180deg=-0.172) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.337 F(o=-3.2!,f=-0.34) USER MOD Single : B 62 GLN : amide:sc= 0.00106 K(o=0.0011,f=-0.62) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.009 -20.639 -5.992 1.00 15.13 N ATOM 2 CA MET A 1 -14.084 -19.969 -5.041 1.00 14.88 C ATOM 3 C MET A 1 -13.731 -18.565 -5.520 1.00 13.56 C ATOM 4 O MET A 1 -13.088 -18.397 -6.557 1.00 12.96 O ATOM 5 CB MET A 1 -12.808 -20.801 -4.872 1.00 15.67 C ATOM 6 CG MET A 1 -11.740 -20.118 -4.032 1.00 15.34 C ATOM 7 SD MET A 1 -10.302 -21.166 -3.737 1.00 16.50 S ATOM 8 CE MET A 1 -11.013 -22.447 -2.705 1.00 15.91 C ATOM 0 H1 MET A 1 -15.234 -21.593 -5.644 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.885 -20.084 -6.073 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.556 -20.709 -6.926 1.00 15.13 H new ATOM 0 HA MET A 1 -14.588 -19.886 -4.078 1.00 14.88 H new ATOM 0 HB2 MET A 1 -13.065 -21.755 -4.411 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.396 -21.023 -5.857 1.00 15.67 H new ATOM 0 HG2 MET A 1 -11.421 -19.204 -4.533 1.00 15.34 H new ATOM 0 HG3 MET A 1 -12.171 -19.823 -3.075 1.00 15.34 H new ATOM 0 HE1 MET A 1 -10.341 -22.659 -1.874 1.00 15.91 H new ATOM 0 HE2 MET A 1 -11.974 -22.110 -2.317 1.00 15.91 H new ATOM 0 HE3 MET A 1 -11.157 -23.352 -3.296 1.00 15.91 H new ATOM 20 N GLN A 2 -14.155 -17.562 -4.758 1.00 13.22 N ATOM 21 CA GLN A 2 -13.884 -16.170 -5.102 1.00 12.04 C ATOM 22 C GLN A 2 -12.510 -15.744 -4.600 1.00 11.88 C ATOM 23 O GLN A 2 -12.036 -16.224 -3.570 1.00 12.64 O ATOM 24 CB GLN A 2 -14.963 -15.255 -4.520 1.00 11.89 C ATOM 25 CG GLN A 2 -16.357 -15.542 -5.056 1.00 10.95 C ATOM 26 CD GLN A 2 -17.387 -14.542 -4.570 1.00 11.15 C ATOM 27 OE1 GLN A 2 -18.012 -14.733 -3.527 1.00 10.74 O ATOM 28 NE2 GLN A 2 -17.571 -13.466 -5.326 1.00 11.94 N ATOM 0 H GLN A 2 -14.688 -17.687 -3.897 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.896 -16.082 -6.188 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -14.971 -15.360 -3.435 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.705 -14.219 -4.738 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -16.332 -15.532 -6.146 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -16.659 -16.545 -4.754 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.031 -13.347 -6.183 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -18.252 -12.759 -5.049 1.00 11.94 H new ATOM 37 N ILE A 3 -11.878 -14.840 -5.341 1.00 10.95 N ATOM 38 CA ILE A 3 -10.560 -14.331 -4.983 1.00 10.68 C ATOM 39 C ILE A 3 -10.480 -12.836 -5.242 1.00 9.47 C ATOM 40 O ILE A 3 -11.205 -12.303 -6.080 1.00 8.82 O ATOM 41 CB ILE A 3 -9.433 -15.041 -5.764 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.700 -14.978 -7.273 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.293 -16.485 -5.300 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.482 -15.288 -8.118 1.00 10.30 C ATOM 0 H ILE A 3 -12.261 -14.443 -6.199 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.420 -14.532 -3.921 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.494 -14.524 -5.564 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.494 -15.682 -7.523 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -10.065 -13.983 -7.528 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.495 -16.971 -5.860 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.054 -16.504 -4.237 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.230 -17.014 -5.470 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.746 -15.225 -9.174 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.693 -14.569 -7.897 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.129 -16.294 -7.892 1.00 10.30 H new ATOM 56 N PHE A 4 -9.594 -12.167 -4.518 1.00 9.25 N ATOM 57 CA PHE A 4 -9.413 -10.730 -4.663 1.00 8.23 C ATOM 58 C PHE A 4 -8.051 -10.426 -5.272 1.00 7.51 C ATOM 59 O PHE A 4 -7.047 -11.009 -4.876 1.00 7.97 O ATOM 60 CB PHE A 4 -9.549 -10.035 -3.307 1.00 8.76 C ATOM 61 CG PHE A 4 -10.848 -10.334 -2.612 1.00 9.63 C ATOM 62 CD1 PHE A 4 -12.050 -9.886 -3.139 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.869 -11.066 -1.434 1.00 10.81 C ATOM 64 CE1 PHE A 4 -13.246 -10.161 -2.504 1.00 10.22 C ATOM 65 CE2 PHE A 4 -12.062 -11.343 -0.795 1.00 11.64 C ATOM 66 CZ PHE A 4 -13.252 -10.891 -1.331 1.00 11.33 C ATOM 0 H PHE A 4 -8.987 -12.599 -3.821 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.188 -10.351 -5.329 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.723 -10.341 -2.665 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.460 -8.958 -3.448 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -12.051 -9.316 -4.056 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.942 -11.424 -1.011 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -14.175 -9.806 -2.924 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -12.064 -11.912 0.123 1.00 11.64 H new ATOM 0 HZ PHE A 4 -14.186 -11.108 -0.834 1.00 11.33 H new ATOM 76 N VAL A 5 -8.030 -9.526 -6.249 1.00 6.47 N ATOM 77 CA VAL A 5 -6.790 -9.129 -6.904 1.00 5.80 C ATOM 78 C VAL A 5 -6.551 -7.641 -6.675 1.00 4.97 C ATOM 79 O VAL A 5 -7.143 -6.797 -7.347 1.00 4.55 O ATOM 80 CB VAL A 5 -6.813 -9.427 -8.418 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.507 -8.997 -9.074 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.080 -10.905 -8.666 1.00 6.66 C ATOM 0 H VAL A 5 -8.862 -9.056 -6.606 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.979 -9.713 -6.468 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.622 -8.852 -8.868 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.546 -9.217 -10.141 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.362 -7.926 -8.929 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.677 -9.540 -8.622 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.093 -11.097 -9.739 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.294 -11.500 -8.200 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.044 -11.178 -8.237 1.00 6.66 H new ATOM 92 N LYS A 6 -5.679 -7.331 -5.720 1.00 4.99 N ATOM 93 CA LYS A 6 -5.384 -5.948 -5.365 1.00 4.54 C ATOM 94 C LYS A 6 -4.247 -5.369 -6.202 1.00 3.66 C ATOM 95 O LYS A 6 -3.187 -5.978 -6.345 1.00 3.73 O ATOM 96 CB LYS A 6 -5.032 -5.865 -3.875 1.00 5.41 C ATOM 97 CG LYS A 6 -4.747 -4.454 -3.374 1.00 5.62 C ATOM 98 CD LYS A 6 -3.293 -4.057 -3.594 1.00 6.25 C ATOM 99 CE LYS A 6 -2.983 -2.698 -2.982 1.00 6.57 C ATOM 100 NZ LYS A 6 -1.629 -2.215 -3.365 1.00 6.86 N ATOM 0 H LYS A 6 -5.163 -8.023 -5.177 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.274 -5.354 -5.572 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.855 -6.284 -3.296 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -4.158 -6.489 -3.685 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -5.398 -3.747 -3.889 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -4.984 -4.391 -2.312 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -2.639 -4.811 -3.156 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -3.080 -4.032 -4.663 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -3.732 -1.975 -3.305 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.052 -2.764 -1.896 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -1.055 -2.077 -2.509 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -1.171 -2.917 -3.980 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.714 -1.312 -3.874 1.00 6.86 H new ATOM 114 N THR A 7 -4.490 -4.180 -6.743 1.00 3.27 N ATOM 115 CA THR A 7 -3.503 -3.477 -7.558 1.00 2.97 C ATOM 116 C THR A 7 -2.898 -2.305 -6.788 1.00 3.21 C ATOM 117 O THR A 7 -3.450 -1.863 -5.780 1.00 3.79 O ATOM 118 CB THR A 7 -4.133 -2.947 -8.859 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.228 -2.078 -8.553 1.00 3.78 O ATOM 120 CG2 THR A 7 -4.619 -4.094 -9.733 1.00 3.68 C ATOM 0 H THR A 7 -5.371 -3.678 -6.631 1.00 3.27 H new ATOM 0 HA THR A 7 -2.720 -4.194 -7.805 1.00 2.97 H new ATOM 0 HB THR A 7 -3.370 -2.393 -9.406 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.984 -2.608 -8.224 1.00 3.78 H new ATOM 0 HG21 THR A 7 -5.060 -3.694 -10.646 1.00 3.68 H new ATOM 0 HG22 THR A 7 -3.778 -4.739 -9.988 1.00 3.68 H new ATOM 0 HG23 THR A 7 -5.368 -4.672 -9.191 1.00 3.68 H new ATOM 128 N LEU A 8 -1.763 -1.806 -7.271 1.00 3.26 N ATOM 129 CA LEU A 8 -1.078 -0.685 -6.630 1.00 3.74 C ATOM 130 C LEU A 8 -1.921 0.587 -6.686 1.00 4.78 C ATOM 131 O LEU A 8 -1.731 1.504 -5.885 1.00 5.48 O ATOM 132 CB LEU A 8 0.283 -0.450 -7.294 1.00 3.85 C ATOM 133 CG LEU A 8 0.237 -0.145 -8.797 1.00 3.89 C ATOM 134 CD1 LEU A 8 0.153 1.357 -9.043 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.455 -0.734 -9.499 1.00 4.09 C ATOM 0 H LEU A 8 -1.297 -2.161 -8.106 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.925 -0.938 -5.581 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.777 0.379 -6.787 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.902 -1.334 -7.138 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.659 -0.608 -9.211 1.00 3.89 H new ATOM 0 HD11 LEU A 8 0.122 1.549 -10.116 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.750 1.752 -8.577 1.00 4.36 H new ATOM 0 HD13 LEU A 8 1.027 1.846 -8.613 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.406 -0.508 -10.564 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.362 -0.301 -9.078 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.469 -1.815 -9.358 1.00 4.09 H new ATOM 147 N THR A 9 -2.855 0.637 -7.635 1.00 5.08 N ATOM 148 CA THR A 9 -3.730 1.795 -7.795 1.00 6.24 C ATOM 149 C THR A 9 -4.893 1.750 -6.803 1.00 6.58 C ATOM 150 O THR A 9 -5.650 2.713 -6.676 1.00 7.61 O ATOM 151 CB THR A 9 -4.281 1.892 -9.233 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.221 2.970 -9.331 1.00 5.90 O ATOM 153 CG2 THR A 9 -4.948 0.591 -9.654 1.00 7.65 C ATOM 0 H THR A 9 -3.024 -0.113 -8.305 1.00 5.08 H new ATOM 0 HA THR A 9 -3.126 2.680 -7.593 1.00 6.24 H new ATOM 0 HB THR A 9 -3.441 2.081 -9.902 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.592 3.162 -8.445 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.327 0.689 -10.671 1.00 7.65 H new ATOM 0 HG22 THR A 9 -4.221 -0.220 -9.614 1.00 7.65 H new ATOM 0 HG23 THR A 9 -5.775 0.371 -8.979 1.00 7.65 H new ATOM 161 N GLY A 10 -5.027 0.624 -6.102 1.00 5.95 N ATOM 162 CA GLY A 10 -6.091 0.469 -5.122 1.00 6.60 C ATOM 163 C GLY A 10 -7.344 -0.158 -5.703 1.00 6.46 C ATOM 164 O GLY A 10 -8.410 -0.107 -5.089 1.00 7.08 O ATOM 0 H GLY A 10 -4.415 -0.186 -6.196 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.732 -0.147 -4.298 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.339 1.445 -4.706 1.00 6.60 H new ATOM 168 N LYS A 11 -7.217 -0.754 -6.886 1.00 5.81 N ATOM 169 CA LYS A 11 -8.349 -1.393 -7.549 1.00 5.70 C ATOM 170 C LYS A 11 -8.369 -2.896 -7.288 1.00 5.01 C ATOM 171 O LYS A 11 -7.532 -3.639 -7.804 1.00 4.26 O ATOM 172 CB LYS A 11 -8.304 -1.126 -9.057 1.00 5.63 C ATOM 173 CG LYS A 11 -8.435 0.345 -9.426 1.00 5.81 C ATOM 174 CD LYS A 11 -9.799 0.903 -9.046 1.00 6.13 C ATOM 175 CE LYS A 11 -9.967 2.339 -9.516 1.00 6.58 C ATOM 176 NZ LYS A 11 -11.284 2.905 -9.116 1.00 6.35 N ATOM 0 H LYS A 11 -6.340 -0.807 -7.405 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.261 -0.963 -7.136 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -7.365 -1.509 -9.456 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -9.106 -1.685 -9.539 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -7.655 0.917 -8.923 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -8.278 0.466 -10.498 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -10.581 0.283 -9.483 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -9.923 0.857 -7.964 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -9.167 2.952 -9.101 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -9.869 2.379 -10.601 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -11.358 3.885 -9.456 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -12.048 2.335 -9.533 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -11.368 2.891 -8.079 1.00 6.35 H new ATOM 190 N THR A 12 -9.329 -3.333 -6.476 1.00 5.57 N ATOM 191 CA THR A 12 -9.482 -4.745 -6.147 1.00 5.50 C ATOM 192 C THR A 12 -10.590 -5.366 -6.989 1.00 5.42 C ATOM 193 O THR A 12 -11.725 -4.884 -6.985 1.00 6.02 O ATOM 194 CB THR A 12 -9.807 -4.946 -4.653 1.00 6.58 C ATOM 195 OG1 THR A 12 -10.988 -4.214 -4.305 1.00 6.95 O ATOM 196 CG2 THR A 12 -8.648 -4.494 -3.777 1.00 6.85 C ATOM 0 H THR A 12 -10.016 -2.724 -6.032 1.00 5.57 H new ATOM 0 HA THR A 12 -8.533 -5.236 -6.364 1.00 5.50 H new ATOM 0 HB THR A 12 -9.975 -6.010 -4.483 1.00 6.58 H new ATOM 0 HG1 THR A 12 -11.550 -4.103 -5.100 1.00 6.95 H new ATOM 0 HG21 THR A 12 -8.903 -4.647 -2.728 1.00 6.85 H new ATOM 0 HG22 THR A 12 -7.759 -5.075 -4.022 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.450 -3.436 -3.952 1.00 6.85 H new ATOM 204 N ILE A 13 -10.260 -6.433 -7.712 1.00 4.88 N ATOM 205 CA ILE A 13 -11.231 -7.111 -8.565 1.00 5.00 C ATOM 206 C ILE A 13 -11.456 -8.549 -8.109 1.00 5.65 C ATOM 207 O ILE A 13 -10.528 -9.222 -7.661 1.00 5.97 O ATOM 208 CB ILE A 13 -10.794 -7.102 -10.046 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.385 -7.684 -10.196 1.00 4.64 C ATOM 210 CG2 ILE A 13 -10.854 -5.687 -10.606 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.910 -7.771 -11.631 1.00 5.04 C ATOM 0 H ILE A 13 -9.328 -6.846 -7.724 1.00 4.88 H new ATOM 0 HA ILE A 13 -12.167 -6.559 -8.477 1.00 5.00 H new ATOM 0 HB ILE A 13 -11.482 -7.728 -10.614 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -8.686 -7.070 -9.628 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.365 -8.681 -9.755 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.543 -5.696 -11.651 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.874 -5.310 -10.534 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -10.187 -5.041 -10.035 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -7.905 -8.192 -11.657 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -9.586 -8.409 -12.200 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.897 -6.774 -12.071 1.00 5.04 H new ATOM 223 N THR A 14 -12.697 -9.008 -8.230 1.00 6.06 N ATOM 224 CA THR A 14 -13.059 -10.362 -7.830 1.00 6.90 C ATOM 225 C THR A 14 -13.086 -11.294 -9.037 1.00 7.04 C ATOM 226 O THR A 14 -13.615 -10.940 -10.091 1.00 6.70 O ATOM 227 CB THR A 14 -14.434 -10.395 -7.135 1.00 7.48 C ATOM 228 OG1 THR A 14 -14.429 -9.521 -5.998 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.788 -11.809 -6.689 1.00 8.28 C ATOM 0 H THR A 14 -13.472 -8.459 -8.603 1.00 6.06 H new ATOM 0 HA THR A 14 -12.300 -10.702 -7.125 1.00 6.90 H new ATOM 0 HB THR A 14 -15.184 -10.060 -7.852 1.00 7.48 H new ATOM 0 HG1 THR A 14 -15.306 -9.546 -5.562 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.763 -11.803 -6.202 1.00 8.28 H new ATOM 0 HG22 THR A 14 -14.820 -12.467 -7.557 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.034 -12.169 -5.989 1.00 8.28 H new ATOM 237 N LEU A 15 -12.512 -12.485 -8.877 1.00 7.82 N ATOM 238 CA LEU A 15 -12.475 -13.467 -9.955 1.00 8.34 C ATOM 239 C LEU A 15 -12.870 -14.847 -9.449 1.00 9.47 C ATOM 240 O LEU A 15 -12.698 -15.163 -8.272 1.00 10.02 O ATOM 241 CB LEU A 15 -11.083 -13.529 -10.589 1.00 8.35 C ATOM 242 CG LEU A 15 -10.686 -12.303 -11.415 1.00 8.95 C ATOM 243 CD1 LEU A 15 -10.016 -11.257 -10.537 1.00 8.50 C ATOM 244 CD2 LEU A 15 -9.771 -12.707 -12.562 1.00 9.28 C ATOM 0 H LEU A 15 -12.067 -12.792 -8.012 1.00 7.82 H new ATOM 0 HA LEU A 15 -13.194 -13.152 -10.711 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.347 -13.667 -9.797 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -11.032 -14.410 -11.229 1.00 8.35 H new ATOM 0 HG LEU A 15 -11.591 -11.865 -11.835 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -9.742 -10.394 -11.144 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -10.705 -10.945 -9.753 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -9.120 -11.682 -10.084 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -9.499 -11.823 -13.139 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.870 -13.171 -12.162 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -10.289 -13.416 -13.208 1.00 9.28 H new ATOM 256 N GLU A 16 -13.406 -15.662 -10.352 1.00 9.94 N ATOM 257 CA GLU A 16 -13.821 -17.017 -10.015 1.00 11.04 C ATOM 258 C GLU A 16 -12.717 -18.001 -10.385 1.00 11.87 C ATOM 259 O GLU A 16 -12.316 -18.087 -11.547 1.00 12.00 O ATOM 260 CB GLU A 16 -15.120 -17.375 -10.741 1.00 11.14 C ATOM 261 CG GLU A 16 -16.224 -16.343 -10.560 1.00 10.90 C ATOM 262 CD GLU A 16 -16.465 -15.990 -9.102 1.00 11.52 C ATOM 263 OE1 GLU A 16 -17.239 -16.711 -8.436 1.00 11.47 O ATOM 264 OE2 GLU A 16 -15.877 -14.995 -8.628 1.00 12.19 O ATOM 0 H GLU A 16 -13.563 -15.405 -11.327 1.00 9.94 H new ATOM 0 HA GLU A 16 -14.003 -17.075 -8.942 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -14.912 -17.489 -11.805 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.474 -18.341 -10.380 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.964 -15.439 -11.110 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -17.148 -16.725 -10.994 1.00 10.90 H new ATOM 271 N VAL A 17 -12.230 -18.738 -9.392 1.00 12.56 N ATOM 272 CA VAL A 17 -11.156 -19.703 -9.605 1.00 13.49 C ATOM 273 C VAL A 17 -11.389 -20.981 -8.808 1.00 14.65 C ATOM 274 O VAL A 17 -12.404 -21.130 -8.129 1.00 14.73 O ATOM 275 CB VAL A 17 -9.788 -19.116 -9.201 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.384 -17.983 -10.132 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.820 -18.642 -7.754 1.00 12.71 C ATOM 0 H VAL A 17 -12.563 -18.685 -8.429 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.154 -19.935 -10.670 1.00 13.49 H new ATOM 0 HB VAL A 17 -9.039 -19.903 -9.290 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.416 -17.587 -9.825 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -9.315 -18.358 -11.153 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -10.131 -17.191 -10.086 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.847 -18.231 -7.484 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -10.584 -17.873 -7.640 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -10.052 -19.483 -7.101 1.00 12.71 H new ATOM 287 N GLU A 18 -10.437 -21.903 -8.914 1.00 15.63 N ATOM 288 CA GLU A 18 -10.501 -23.174 -8.204 1.00 16.83 C ATOM 289 C GLU A 18 -9.093 -23.615 -7.799 1.00 17.34 C ATOM 290 O GLU A 18 -8.128 -23.335 -8.511 1.00 16.99 O ATOM 291 CB GLU A 18 -11.154 -24.233 -9.102 1.00 17.72 C ATOM 292 CG GLU A 18 -11.411 -25.562 -8.410 1.00 17.49 C ATOM 293 CD GLU A 18 -12.058 -26.581 -9.330 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.304 -26.588 -9.425 1.00 16.92 O ATOM 295 OE2 GLU A 18 -11.320 -27.370 -9.954 1.00 18.57 O ATOM 0 H GLU A 18 -9.604 -21.790 -9.492 1.00 15.63 H new ATOM 0 HA GLU A 18 -11.102 -23.055 -7.302 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -12.100 -23.842 -9.477 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.514 -24.404 -9.968 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -10.468 -25.962 -8.036 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.053 -25.399 -7.545 1.00 17.49 H new ATOM 302 N PRO A 19 -8.945 -24.289 -6.642 1.00 18.22 N ATOM 303 CA PRO A 19 -7.637 -24.761 -6.166 1.00 18.80 C ATOM 304 C PRO A 19 -6.863 -25.542 -7.229 1.00 19.40 C ATOM 305 O PRO A 19 -5.633 -25.585 -7.206 1.00 19.49 O ATOM 306 CB PRO A 19 -7.998 -25.669 -4.990 1.00 19.89 C ATOM 307 CG PRO A 19 -9.291 -25.130 -4.486 1.00 19.55 C ATOM 308 CD PRO A 19 -10.028 -24.629 -5.697 1.00 18.79 C ATOM 0 HA PRO A 19 -6.981 -23.932 -5.902 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -8.097 -26.707 -5.306 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -7.229 -25.643 -4.218 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.863 -25.903 -3.973 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -9.126 -24.326 -3.769 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.693 -25.390 -6.105 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.643 -23.760 -5.462 1.00 18.79 H new ATOM 316 N SER A 20 -7.593 -26.153 -8.162 1.00 19.87 N ATOM 317 CA SER A 20 -6.978 -26.937 -9.232 1.00 20.59 C ATOM 318 C SER A 20 -6.580 -26.050 -10.411 1.00 19.81 C ATOM 319 O SER A 20 -5.693 -26.402 -11.190 1.00 20.40 O ATOM 320 CB SER A 20 -7.942 -28.027 -9.706 1.00 21.46 C ATOM 321 OG SER A 20 -8.346 -28.854 -8.630 1.00 21.29 O ATOM 0 H SER A 20 -8.612 -26.120 -8.198 1.00 19.87 H new ATOM 0 HA SER A 20 -6.075 -27.399 -8.833 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.818 -27.568 -10.164 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.461 -28.633 -10.474 1.00 21.46 H new ATOM 0 HG SER A 20 -8.963 -29.541 -8.959 1.00 21.29 H new ATOM 327 N ASP A 21 -7.242 -24.901 -10.537 1.00 18.56 N ATOM 328 CA ASP A 21 -6.966 -23.962 -11.623 1.00 17.80 C ATOM 329 C ASP A 21 -5.483 -23.601 -11.684 1.00 17.76 C ATOM 330 O ASP A 21 -4.797 -23.571 -10.662 1.00 17.65 O ATOM 331 CB ASP A 21 -7.810 -22.694 -11.459 1.00 16.48 C ATOM 332 CG ASP A 21 -7.644 -21.733 -12.622 1.00 16.21 C ATOM 333 OD1 ASP A 21 -8.337 -21.912 -13.645 1.00 15.53 O ATOM 334 OD2 ASP A 21 -6.821 -20.802 -12.510 1.00 16.77 O ATOM 0 H ASP A 21 -7.976 -24.597 -9.898 1.00 18.56 H new ATOM 0 HA ASP A 21 -7.233 -24.450 -12.560 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.860 -22.970 -11.366 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.529 -22.191 -10.533 1.00 16.48 H new ATOM 339 N THR A 22 -5.001 -23.324 -12.894 1.00 17.95 N ATOM 340 CA THR A 22 -3.600 -22.971 -13.109 1.00 18.00 C ATOM 341 C THR A 22 -3.413 -21.455 -13.145 1.00 16.68 C ATOM 342 O THR A 22 -4.270 -20.728 -13.646 1.00 15.89 O ATOM 343 CB THR A 22 -3.078 -23.579 -14.427 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.521 -24.937 -14.547 1.00 19.12 O ATOM 345 CG2 THR A 22 -1.557 -23.540 -14.485 1.00 20.15 C ATOM 0 H THR A 22 -5.564 -23.338 -13.744 1.00 17.95 H new ATOM 0 HA THR A 22 -3.030 -23.378 -12.274 1.00 18.00 H new ATOM 0 HB THR A 22 -3.473 -22.985 -15.251 1.00 18.92 H new ATOM 0 HG1 THR A 22 -3.188 -25.317 -15.387 1.00 19.12 H new ATOM 0 HG21 THR A 22 -1.217 -23.975 -15.425 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.217 -22.507 -14.420 1.00 20.15 H new ATOM 0 HG23 THR A 22 -1.146 -24.110 -13.652 1.00 20.15 H new ATOM 353 N ILE A 23 -2.284 -20.990 -12.611 1.00 16.47 N ATOM 354 CA ILE A 23 -1.972 -19.563 -12.572 1.00 15.26 C ATOM 355 C ILE A 23 -2.109 -18.924 -13.952 1.00 15.04 C ATOM 356 O ILE A 23 -2.677 -17.841 -14.087 1.00 14.00 O ATOM 357 CB ILE A 23 -0.545 -19.312 -12.037 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.351 -19.986 -10.673 1.00 15.58 C ATOM 359 CG2 ILE A 23 -0.260 -17.818 -11.944 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.465 -19.707 -9.687 1.00 14.76 C ATOM 0 H ILE A 23 -1.567 -21.586 -12.197 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.692 -19.104 -11.894 1.00 15.26 H new ATOM 0 HB ILE A 23 0.164 -19.752 -12.739 1.00 15.26 H new ATOM 0 HG12 ILE A 23 -0.270 -21.063 -10.819 1.00 15.58 H new ATOM 0 HG13 ILE A 23 0.593 -19.651 -10.244 1.00 15.58 H new ATOM 0 HG21 ILE A 23 0.750 -17.663 -11.565 1.00 14.03 H new ATOM 0 HG22 ILE A 23 -0.349 -17.368 -12.933 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.977 -17.352 -11.267 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -1.255 -20.218 -8.747 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -1.533 -18.634 -9.509 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -2.410 -20.068 -10.093 1.00 14.76 H new ATOM 372 N GLU A 24 -1.584 -19.597 -14.974 1.00 16.12 N ATOM 373 CA GLU A 24 -1.661 -19.089 -16.342 1.00 16.23 C ATOM 374 C GLU A 24 -3.111 -18.811 -16.723 1.00 15.75 C ATOM 375 O GLU A 24 -3.407 -17.833 -17.410 1.00 15.19 O ATOM 376 CB GLU A 24 -1.035 -20.086 -17.322 1.00 17.64 C ATOM 377 CG GLU A 24 -1.693 -21.457 -17.309 1.00 17.99 C ATOM 378 CD GLU A 24 -0.915 -22.483 -18.108 1.00 19.37 C ATOM 379 OE1 GLU A 24 0.059 -23.046 -17.563 1.00 19.87 O ATOM 380 OE2 GLU A 24 -1.277 -22.726 -19.279 1.00 19.99 O ATOM 0 H GLU A 24 -1.103 -20.492 -14.882 1.00 16.12 H new ATOM 0 HA GLU A 24 -1.101 -18.155 -16.395 1.00 16.23 H new ATOM 0 HB2 GLU A 24 -1.093 -19.675 -18.330 1.00 17.64 H new ATOM 0 HB3 GLU A 24 0.023 -20.199 -17.084 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -1.789 -21.800 -16.279 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -2.702 -21.376 -17.713 1.00 17.99 H new ATOM 387 N ASN A 25 -4.010 -19.680 -16.268 1.00 16.04 N ATOM 388 CA ASN A 25 -5.434 -19.528 -16.542 1.00 15.65 C ATOM 389 C ASN A 25 -5.981 -18.306 -15.810 1.00 14.26 C ATOM 390 O ASN A 25 -6.808 -17.568 -16.345 1.00 13.66 O ATOM 391 CB ASN A 25 -6.196 -20.789 -16.119 1.00 16.38 C ATOM 392 CG ASN A 25 -7.621 -20.818 -16.644 1.00 16.31 C ATOM 393 OD1 ASN A 25 -8.264 -19.780 -16.795 1.00 16.31 O ATOM 394 ND2 ASN A 25 -8.120 -22.016 -16.929 1.00 16.35 N ATOM 0 H ASN A 25 -3.775 -20.499 -15.706 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.571 -19.385 -17.614 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.663 -21.669 -16.479 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -6.213 -20.850 -15.031 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -9.071 -22.100 -17.288 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -7.552 -22.852 -16.789 1.00 16.35 H new ATOM 401 N VAL A 26 -5.504 -18.094 -14.581 1.00 13.80 N ATOM 402 CA VAL A 26 -5.936 -16.952 -13.781 1.00 12.52 C ATOM 403 C VAL A 26 -5.626 -15.647 -14.506 1.00 11.74 C ATOM 404 O VAL A 26 -6.484 -14.773 -14.623 1.00 10.85 O ATOM 405 CB VAL A 26 -5.256 -16.930 -12.394 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.767 -15.760 -11.564 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.480 -18.245 -11.663 1.00 13.28 C ATOM 0 H VAL A 26 -4.821 -18.697 -14.122 1.00 13.80 H new ATOM 0 HA VAL A 26 -7.012 -17.053 -13.637 1.00 12.52 H new ATOM 0 HB VAL A 26 -4.184 -16.802 -12.542 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -5.276 -15.762 -10.591 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.547 -14.825 -12.079 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.844 -15.854 -11.427 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.993 -18.207 -10.689 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.549 -18.409 -11.528 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.059 -19.063 -12.248 1.00 13.28 H new ATOM 417 N LYS A 27 -4.391 -15.527 -14.993 1.00 12.21 N ATOM 418 CA LYS A 27 -3.963 -14.333 -15.712 1.00 11.77 C ATOM 419 C LYS A 27 -4.808 -14.120 -16.964 1.00 11.96 C ATOM 420 O LYS A 27 -5.058 -12.984 -17.369 1.00 11.29 O ATOM 421 CB LYS A 27 -2.483 -14.430 -16.084 1.00 12.57 C ATOM 422 CG LYS A 27 -1.550 -14.407 -14.883 1.00 12.29 C ATOM 423 CD LYS A 27 -0.090 -14.377 -15.308 1.00 13.09 C ATOM 424 CE LYS A 27 0.843 -14.361 -14.107 1.00 12.80 C ATOM 425 NZ LYS A 27 0.625 -13.161 -13.253 1.00 13.67 N ATOM 0 H LYS A 27 -3.671 -16.244 -14.901 1.00 12.21 H new ATOM 0 HA LYS A 27 -4.102 -13.476 -15.053 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.317 -15.350 -16.644 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.229 -13.603 -16.747 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.769 -13.534 -14.269 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.731 -15.286 -14.264 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.127 -15.248 -15.927 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.092 -13.496 -15.923 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.687 -15.262 -13.514 1.00 12.80 H new ATOM 0 HE3 LYS A 27 1.877 -14.380 -14.450 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 0.619 -13.444 -12.252 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 1.391 -12.476 -13.415 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 -0.287 -12.724 -13.495 1.00 13.67 H new ATOM 439 N ALA A 28 -5.245 -15.221 -17.571 1.00 12.96 N ATOM 440 CA ALA A 28 -6.074 -15.156 -18.769 1.00 13.31 C ATOM 441 C ALA A 28 -7.451 -14.597 -18.431 1.00 12.36 C ATOM 442 O ALA A 28 -8.040 -13.855 -19.216 1.00 12.18 O ATOM 443 CB ALA A 28 -6.198 -16.533 -19.407 1.00 14.55 C ATOM 0 H ALA A 28 -5.038 -16.168 -17.252 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.596 -14.488 -19.485 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.820 -16.466 -20.300 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.208 -16.897 -19.681 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.655 -17.223 -18.698 1.00 14.55 H new ATOM 449 N LYS A 29 -7.949 -14.954 -17.247 1.00 11.88 N ATOM 450 CA LYS A 29 -9.252 -14.484 -16.791 1.00 11.02 C ATOM 451 C LYS A 29 -9.193 -12.994 -16.472 1.00 9.90 C ATOM 452 O LYS A 29 -10.103 -12.240 -16.820 1.00 9.41 O ATOM 453 CB LYS A 29 -9.717 -15.282 -15.570 1.00 10.98 C ATOM 454 CG LYS A 29 -10.098 -16.720 -15.902 1.00 12.12 C ATOM 455 CD LYS A 29 -10.746 -17.425 -14.719 1.00 12.25 C ATOM 456 CE LYS A 29 -9.732 -17.779 -13.643 1.00 13.42 C ATOM 457 NZ LYS A 29 -8.720 -18.760 -14.127 1.00 13.70 N ATOM 0 H LYS A 29 -7.468 -15.567 -16.588 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.976 -14.638 -17.591 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.923 -15.287 -14.823 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.574 -14.780 -15.121 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -10.784 -16.727 -16.749 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -9.208 -17.269 -16.209 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -11.518 -16.784 -14.293 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.240 -18.333 -15.064 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -9.227 -16.873 -13.309 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -10.251 -18.191 -12.778 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -7.872 -18.709 -13.526 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -9.118 -19.720 -14.084 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -8.462 -18.536 -15.109 1.00 13.70 H new ATOM 471 N ILE A 30 -8.117 -12.574 -15.808 1.00 9.57 N ATOM 472 CA ILE A 30 -7.931 -11.169 -15.470 1.00 8.57 C ATOM 473 C ILE A 30 -7.868 -10.331 -16.742 1.00 8.97 C ATOM 474 O ILE A 30 -8.435 -9.243 -16.814 1.00 8.49 O ATOM 475 CB ILE A 30 -6.645 -10.945 -14.644 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.714 -11.719 -13.323 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.437 -9.460 -14.380 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.435 -11.662 -12.515 1.00 8.06 C ATOM 0 H ILE A 30 -7.364 -13.187 -15.495 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.783 -10.861 -14.863 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.796 -11.318 -15.217 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.531 -11.321 -12.721 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.953 -12.761 -13.535 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.527 -9.318 -13.797 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.346 -8.931 -15.329 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.289 -9.066 -13.825 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.560 -12.232 -11.595 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.618 -12.088 -13.097 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.205 -10.625 -12.271 1.00 8.06 H new ATOM 490 N GLN A 31 -7.166 -10.852 -17.745 1.00 10.07 N ATOM 491 CA GLN A 31 -7.028 -10.175 -19.029 1.00 10.78 C ATOM 492 C GLN A 31 -8.383 -10.029 -19.719 1.00 10.96 C ATOM 493 O GLN A 31 -8.628 -9.053 -20.424 1.00 11.22 O ATOM 494 CB GLN A 31 -6.060 -10.958 -19.925 1.00 12.02 C ATOM 495 CG GLN A 31 -5.915 -10.393 -21.331 1.00 12.96 C ATOM 496 CD GLN A 31 -6.880 -11.026 -22.318 1.00 14.24 C ATOM 497 OE1 GLN A 31 -7.989 -10.535 -22.526 1.00 14.59 O ATOM 498 NE2 GLN A 31 -6.460 -12.127 -22.931 1.00 15.04 N ATOM 0 H GLN A 31 -6.681 -11.748 -17.691 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.630 -9.176 -18.853 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -5.079 -10.978 -19.451 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.401 -11.991 -19.994 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.082 -9.316 -21.305 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -4.893 -10.548 -21.677 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -5.533 -12.501 -22.729 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -7.065 -12.599 -23.603 1.00 15.04 H new ATOM 507 N ASP A 32 -9.260 -11.004 -19.506 1.00 10.94 N ATOM 508 CA ASP A 32 -10.587 -10.983 -20.115 1.00 11.14 C ATOM 509 C ASP A 32 -11.432 -9.832 -19.571 1.00 10.25 C ATOM 510 O ASP A 32 -12.215 -9.230 -20.306 1.00 10.60 O ATOM 511 CB ASP A 32 -11.307 -12.315 -19.885 1.00 11.35 C ATOM 512 CG ASP A 32 -10.559 -13.496 -20.480 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.884 -13.315 -21.516 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.650 -14.604 -19.910 1.00 12.47 O ATOM 0 H ASP A 32 -9.078 -11.817 -18.918 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.454 -10.831 -21.186 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.436 -12.474 -18.814 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -12.304 -12.264 -20.322 1.00 11.35 H new ATOM 519 N LYS A 33 -11.267 -9.531 -18.285 1.00 9.23 N ATOM 520 CA LYS A 33 -12.030 -8.459 -17.646 1.00 8.49 C ATOM 521 C LYS A 33 -11.296 -7.115 -17.688 1.00 8.32 C ATOM 522 O LYS A 33 -11.810 -6.142 -18.242 1.00 8.52 O ATOM 523 CB LYS A 33 -12.343 -8.829 -16.193 1.00 7.63 C ATOM 524 CG LYS A 33 -13.156 -10.108 -16.050 1.00 7.20 C ATOM 525 CD LYS A 33 -13.476 -10.405 -14.592 1.00 6.55 C ATOM 526 CE LYS A 33 -14.265 -11.697 -14.442 1.00 6.99 C ATOM 527 NZ LYS A 33 -14.587 -11.989 -13.018 1.00 6.67 N ATOM 0 H LYS A 33 -10.614 -10.012 -17.666 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.956 -8.346 -18.209 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -11.407 -8.941 -15.646 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.888 -8.008 -15.727 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -14.083 -10.016 -16.616 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -12.602 -10.943 -16.479 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -12.549 -10.476 -14.023 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -14.047 -9.579 -14.169 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -15.189 -11.627 -15.016 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -13.691 -12.523 -14.861 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -14.397 -12.992 -12.818 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -13.998 -11.395 -12.400 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -15.591 -11.785 -12.840 1.00 6.67 H new ATOM 541 N GLU A 34 -10.099 -7.064 -17.105 1.00 8.14 N ATOM 542 CA GLU A 34 -9.317 -5.827 -17.045 1.00 8.06 C ATOM 543 C GLU A 34 -8.539 -5.546 -18.338 1.00 9.21 C ATOM 544 O GLU A 34 -8.013 -4.446 -18.515 1.00 9.60 O ATOM 545 CB GLU A 34 -8.358 -5.888 -15.851 1.00 7.25 C ATOM 546 CG GLU A 34 -7.688 -4.559 -15.528 1.00 6.20 C ATOM 547 CD GLU A 34 -6.830 -4.626 -14.278 1.00 6.09 C ATOM 548 OE1 GLU A 34 -7.391 -4.828 -13.180 1.00 6.14 O ATOM 549 OE2 GLU A 34 -5.596 -4.478 -14.397 1.00 6.20 O ATOM 0 H GLU A 34 -9.648 -7.866 -16.666 1.00 8.14 H new ATOM 0 HA GLU A 34 -10.020 -5.003 -16.922 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -8.907 -6.229 -14.974 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.588 -6.632 -16.054 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -7.070 -4.253 -16.372 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.453 -3.793 -15.399 1.00 6.20 H new ATOM 556 N GLY A 35 -8.468 -6.525 -19.236 1.00 9.92 N ATOM 557 CA GLY A 35 -7.757 -6.329 -20.495 1.00 11.11 C ATOM 558 C GLY A 35 -6.244 -6.464 -20.392 1.00 11.26 C ATOM 559 O GLY A 35 -5.578 -6.709 -21.398 1.00 12.20 O ATOM 0 H GLY A 35 -8.887 -7.448 -19.119 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -8.125 -7.053 -21.222 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.995 -5.338 -20.882 1.00 11.11 H new ATOM 563 N ILE A 36 -5.693 -6.309 -19.187 1.00 10.40 N ATOM 564 CA ILE A 36 -4.243 -6.404 -18.994 1.00 10.49 C ATOM 565 C ILE A 36 -3.680 -7.722 -19.532 1.00 11.27 C ATOM 566 O ILE A 36 -4.255 -8.785 -19.310 1.00 11.07 O ATOM 567 CB ILE A 36 -3.846 -6.249 -17.511 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.729 -7.125 -16.618 1.00 8.55 C ATOM 569 CG2 ILE A 36 -3.939 -4.788 -17.091 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.296 -7.143 -15.168 1.00 7.28 C ATOM 0 H ILE A 36 -6.222 -6.119 -18.336 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.811 -5.579 -19.561 1.00 10.49 H new ATOM 0 HB ILE A 36 -2.814 -6.580 -17.393 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.757 -6.769 -16.677 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.722 -8.145 -17.003 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -3.656 -4.692 -16.043 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -3.266 -4.189 -17.705 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -4.962 -4.435 -17.225 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -4.967 -7.784 -14.596 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -3.279 -7.528 -15.097 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -4.330 -6.131 -14.766 1.00 7.28 H new ATOM 582 N PRO A 37 -2.544 -7.659 -20.257 1.00 12.32 N ATOM 583 CA PRO A 37 -1.900 -8.846 -20.831 1.00 13.26 C ATOM 584 C PRO A 37 -1.090 -9.629 -19.797 1.00 12.81 C ATOM 585 O PRO A 37 -0.350 -9.040 -19.011 1.00 12.09 O ATOM 586 CB PRO A 37 -0.976 -8.252 -21.894 1.00 14.23 C ATOM 587 CG PRO A 37 -0.608 -6.910 -21.361 1.00 14.14 C ATOM 588 CD PRO A 37 -1.802 -6.423 -20.578 1.00 12.79 C ATOM 0 HA PRO A 37 -2.625 -9.561 -21.219 1.00 13.26 H new ATOM 0 HB2 PRO A 37 -0.094 -8.874 -22.046 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -1.479 -8.172 -22.858 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.275 -6.973 -20.725 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -0.368 -6.222 -22.172 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.499 -5.893 -19.675 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.409 -5.733 -21.164 1.00 12.79 H new ATOM 596 N PRO A 38 -1.220 -10.972 -19.788 1.00 13.33 N ATOM 597 CA PRO A 38 -0.494 -11.836 -18.846 1.00 13.21 C ATOM 598 C PRO A 38 1.018 -11.614 -18.877 1.00 13.55 C ATOM 599 O PRO A 38 1.706 -11.843 -17.881 1.00 13.14 O ATOM 600 CB PRO A 38 -0.832 -13.253 -19.324 1.00 14.22 C ATOM 601 CG PRO A 38 -2.122 -13.112 -20.054 1.00 14.34 C ATOM 602 CD PRO A 38 -2.094 -11.749 -20.688 1.00 14.21 C ATOM 0 HA PRO A 38 -0.785 -11.633 -17.815 1.00 13.21 H new ATOM 0 HB2 PRO A 38 -0.051 -13.648 -19.974 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -0.926 -13.942 -18.484 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -2.230 -13.891 -20.809 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -2.968 -13.208 -19.373 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.696 -11.785 -21.702 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -3.092 -11.315 -20.753 1.00 14.21 H new ATOM 610 N ASP A 39 1.528 -11.166 -20.023 1.00 14.37 N ATOM 611 CA ASP A 39 2.960 -10.916 -20.189 1.00 14.81 C ATOM 612 C ASP A 39 3.447 -9.823 -19.240 1.00 13.75 C ATOM 613 O ASP A 39 4.630 -9.767 -18.902 1.00 13.74 O ATOM 614 CB ASP A 39 3.263 -10.515 -21.635 1.00 15.96 C ATOM 615 CG ASP A 39 2.739 -11.525 -22.638 1.00 16.45 C ATOM 616 OD1 ASP A 39 1.572 -11.386 -23.063 1.00 16.96 O ATOM 617 OD2 ASP A 39 3.492 -12.455 -22.995 1.00 16.42 O ATOM 0 H ASP A 39 0.969 -10.968 -20.853 1.00 14.37 H new ATOM 0 HA ASP A 39 3.488 -11.839 -19.949 1.00 14.81 H new ATOM 0 HB2 ASP A 39 2.819 -9.541 -21.839 1.00 15.96 H new ATOM 0 HB3 ASP A 39 4.340 -10.407 -21.761 1.00 15.96 H new ATOM 622 N GLN A 40 2.528 -8.961 -18.816 1.00 12.90 N ATOM 623 CA GLN A 40 2.859 -7.861 -17.914 1.00 11.90 C ATOM 624 C GLN A 40 2.252 -8.075 -16.530 1.00 10.64 C ATOM 625 O GLN A 40 2.506 -7.298 -15.609 1.00 9.67 O ATOM 626 CB GLN A 40 2.372 -6.533 -18.497 1.00 11.91 C ATOM 627 CG GLN A 40 3.067 -6.143 -19.793 1.00 13.23 C ATOM 628 CD GLN A 40 4.573 -6.031 -19.639 1.00 13.45 C ATOM 629 OE1 GLN A 40 5.304 -7.000 -19.845 1.00 14.45 O ATOM 630 NE2 GLN A 40 5.044 -4.846 -19.270 1.00 12.63 N ATOM 0 H GLN A 40 1.545 -9.003 -19.083 1.00 12.90 H new ATOM 0 HA GLN A 40 3.943 -7.832 -17.808 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.299 -6.596 -18.675 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.527 -5.744 -17.761 1.00 11.91 H new ATOM 0 HG2 GLN A 40 2.838 -6.883 -20.560 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.670 -5.190 -20.141 1.00 13.23 H new ATOM 0 HE21 GLN A 40 4.402 -4.070 -19.110 1.00 12.63 H new ATOM 0 HE22 GLN A 40 6.048 -4.712 -19.147 1.00 12.63 H new ATOM 639 N GLN A 41 1.454 -9.130 -16.386 1.00 10.76 N ATOM 640 CA GLN A 41 0.815 -9.434 -15.109 1.00 9.79 C ATOM 641 C GLN A 41 1.769 -10.154 -14.165 1.00 9.92 C ATOM 642 O GLN A 41 2.382 -11.158 -14.532 1.00 10.91 O ATOM 643 CB GLN A 41 -0.428 -10.302 -15.316 1.00 9.99 C ATOM 644 CG GLN A 41 -1.576 -9.592 -16.016 1.00 9.70 C ATOM 645 CD GLN A 41 -2.868 -10.389 -15.965 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.134 -11.104 -14.998 1.00 9.65 O ATOM 647 NE2 GLN A 41 -3.675 -10.278 -17.012 1.00 10.21 N ATOM 0 H GLN A 41 1.235 -9.787 -17.135 1.00 10.76 H new ATOM 0 HA GLN A 41 0.527 -8.482 -14.663 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.151 -11.181 -15.898 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.774 -10.658 -14.346 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.734 -8.619 -15.552 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.306 -9.409 -17.056 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -3.417 -9.675 -17.793 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -4.553 -10.796 -17.036 1.00 10.21 H new ATOM 656 N ARG A 42 1.892 -9.628 -12.950 1.00 9.04 N ATOM 657 CA ARG A 42 2.737 -10.235 -11.930 1.00 9.21 C ATOM 658 C ARG A 42 1.909 -10.486 -10.680 1.00 8.55 C ATOM 659 O ARG A 42 1.457 -9.548 -10.028 1.00 7.55 O ATOM 660 CB ARG A 42 3.942 -9.352 -11.601 1.00 8.92 C ATOM 661 CG ARG A 42 4.936 -10.028 -10.670 1.00 9.32 C ATOM 662 CD ARG A 42 6.237 -9.250 -10.571 1.00 8.97 C ATOM 663 NE ARG A 42 7.311 -10.058 -9.993 1.00 9.07 N ATOM 664 CZ ARG A 42 7.961 -9.750 -8.871 1.00 8.61 C ATOM 665 NH1 ARG A 42 7.656 -8.650 -8.195 1.00 8.06 N ATOM 666 NH2 ARG A 42 8.920 -10.550 -8.425 1.00 8.89 N ATOM 0 H ARG A 42 1.414 -8.779 -12.648 1.00 9.04 H new ATOM 0 HA ARG A 42 3.121 -11.180 -12.315 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.448 -9.077 -12.527 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.593 -8.427 -11.142 1.00 8.92 H new ATOM 0 HG2 ARG A 42 4.495 -10.127 -9.678 1.00 9.32 H new ATOM 0 HG3 ARG A 42 5.142 -11.036 -11.029 1.00 9.32 H new ATOM 0 HD2 ARG A 42 6.533 -8.909 -11.563 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.083 -8.360 -9.961 1.00 8.97 H new ATOM 0 HE ARG A 42 7.580 -10.913 -10.480 1.00 9.07 H new ATOM 0 HH11 ARG A 42 6.918 -8.032 -8.533 1.00 8.06 H new ATOM 0 HH12 ARG A 42 8.159 -8.423 -7.337 1.00 8.06 H new ATOM 0 HH21 ARG A 42 9.158 -11.398 -8.940 1.00 8.89 H new ATOM 0 HH22 ARG A 42 9.420 -10.318 -7.567 1.00 8.89 H new ATOM 680 N LEU A 43 1.720 -11.755 -10.345 1.00 9.27 N ATOM 681 CA LEU A 43 0.920 -12.123 -9.185 1.00 9.04 C ATOM 682 C LEU A 43 1.810 -12.503 -8.012 1.00 9.51 C ATOM 683 O LEU A 43 2.697 -13.344 -8.141 1.00 10.56 O ATOM 684 CB LEU A 43 -0.029 -13.272 -9.535 1.00 9.79 C ATOM 685 CG LEU A 43 -1.163 -12.903 -10.501 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.927 -14.146 -10.935 1.00 10.24 C ATOM 687 CD2 LEU A 43 -2.107 -11.892 -9.860 1.00 8.15 C ATOM 0 H LEU A 43 2.109 -12.546 -10.859 1.00 9.27 H new ATOM 0 HA LEU A 43 0.325 -11.258 -8.892 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.552 -14.083 -9.973 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.467 -13.656 -8.613 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.720 -12.447 -11.387 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.726 -13.861 -11.619 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -1.247 -14.834 -11.437 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -2.356 -14.634 -10.060 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.904 -11.643 -10.561 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.539 -12.320 -8.956 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.553 -10.988 -9.605 1.00 8.15 H new ATOM 699 N ILE A 44 1.574 -11.856 -6.875 1.00 8.83 N ATOM 700 CA ILE A 44 2.340 -12.119 -5.666 1.00 9.35 C ATOM 701 C ILE A 44 1.440 -12.647 -4.557 1.00 9.75 C ATOM 702 O ILE A 44 0.355 -12.117 -4.312 1.00 9.11 O ATOM 703 CB ILE A 44 3.077 -10.856 -5.168 1.00 8.53 C ATOM 704 CG1 ILE A 44 4.003 -10.315 -6.263 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.866 -11.164 -3.898 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.743 -9.055 -5.871 1.00 9.33 C ATOM 0 H ILE A 44 0.854 -11.142 -6.768 1.00 8.83 H new ATOM 0 HA ILE A 44 3.083 -12.875 -5.921 1.00 9.35 H new ATOM 0 HB ILE A 44 2.337 -10.091 -4.933 1.00 8.53 H new ATOM 0 HG12 ILE A 44 4.729 -11.085 -6.525 1.00 8.20 H new ATOM 0 HG13 ILE A 44 3.414 -10.115 -7.158 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.379 -10.263 -3.561 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.184 -11.506 -3.120 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.599 -11.943 -4.105 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.378 -8.734 -6.697 1.00 9.33 H new ATOM 0 HD12 ILE A 44 4.025 -8.269 -5.638 1.00 9.33 H new ATOM 0 HD13 ILE A 44 5.361 -9.253 -4.995 1.00 9.33 H new ATOM 718 N PHE A 45 1.905 -13.697 -3.893 1.00 10.94 N ATOM 719 CA PHE A 45 1.166 -14.315 -2.800 1.00 11.61 C ATOM 720 C PHE A 45 2.129 -14.961 -1.814 1.00 12.55 C ATOM 721 O PHE A 45 2.939 -15.811 -2.188 1.00 13.34 O ATOM 722 CB PHE A 45 0.175 -15.357 -3.325 1.00 12.32 C ATOM 723 CG PHE A 45 -0.666 -15.978 -2.244 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.693 -15.261 -1.650 1.00 12.72 C ATOM 725 CD2 PHE A 45 -0.426 -17.275 -1.819 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.466 -15.828 -0.654 1.00 13.62 C ATOM 727 CE2 PHE A 45 -1.196 -17.847 -0.823 1.00 15.27 C ATOM 728 CZ PHE A 45 -2.217 -17.122 -0.241 1.00 14.88 C ATOM 0 H PHE A 45 2.800 -14.142 -4.095 1.00 10.94 H new ATOM 0 HA PHE A 45 0.602 -13.535 -2.290 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.479 -14.888 -4.060 1.00 12.32 H new ATOM 0 HB3 PHE A 45 0.725 -16.142 -3.843 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.891 -14.248 -1.969 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.372 -17.846 -2.271 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.264 -15.260 -0.199 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.999 -18.859 -0.501 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.820 -17.567 0.537 1.00 14.88 H new ATOM 738 N ALA A 46 2.036 -14.543 -0.557 1.00 12.55 N ATOM 739 CA ALA A 46 2.891 -15.069 0.500 1.00 13.48 C ATOM 740 C ALA A 46 4.334 -14.623 0.327 1.00 13.42 C ATOM 741 O ALA A 46 5.252 -15.216 0.899 1.00 14.38 O ATOM 742 CB ALA A 46 2.803 -16.589 0.552 1.00 14.76 C ATOM 0 H ALA A 46 1.371 -13.836 -0.244 1.00 12.55 H new ATOM 0 HA ALA A 46 2.532 -14.665 1.447 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.448 -16.964 1.347 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.773 -16.887 0.749 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.125 -17.005 -0.403 1.00 14.76 H new ATOM 748 N GLY A 47 4.529 -13.575 -0.461 1.00 12.34 N ATOM 749 CA GLY A 47 5.861 -13.062 -0.691 1.00 12.25 C ATOM 750 C GLY A 47 6.515 -13.663 -1.921 1.00 12.73 C ATOM 751 O GLY A 47 7.548 -13.173 -2.380 1.00 12.99 O ATOM 0 H GLY A 47 3.786 -13.071 -0.945 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.815 -11.979 -0.802 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.481 -13.267 0.182 1.00 12.25 H new ATOM 755 N LYS A 48 5.912 -14.724 -2.458 1.00 12.95 N ATOM 756 CA LYS A 48 6.447 -15.394 -3.641 1.00 13.60 C ATOM 757 C LYS A 48 5.593 -15.115 -4.874 1.00 12.95 C ATOM 758 O LYS A 48 4.380 -14.942 -4.779 1.00 12.25 O ATOM 759 CB LYS A 48 6.540 -16.904 -3.400 1.00 14.88 C ATOM 760 CG LYS A 48 6.941 -17.702 -4.634 1.00 15.77 C ATOM 761 CD LYS A 48 8.374 -17.408 -5.061 1.00 16.95 C ATOM 762 CE LYS A 48 8.599 -17.739 -6.530 1.00 16.96 C ATOM 763 NZ LYS A 48 7.985 -19.041 -6.912 1.00 17.08 N ATOM 0 H LYS A 48 5.054 -15.137 -2.092 1.00 12.95 H new ATOM 0 HA LYS A 48 7.445 -14.997 -3.824 1.00 13.60 H new ATOM 0 HB2 LYS A 48 7.264 -17.092 -2.607 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.575 -17.265 -3.043 1.00 14.88 H new ATOM 0 HG2 LYS A 48 6.835 -18.767 -4.428 1.00 15.77 H new ATOM 0 HG3 LYS A 48 6.263 -17.467 -5.454 1.00 15.77 H new ATOM 0 HD2 LYS A 48 8.598 -16.356 -4.886 1.00 16.95 H new ATOM 0 HD3 LYS A 48 9.064 -17.987 -4.447 1.00 16.95 H new ATOM 0 HE2 LYS A 48 8.179 -16.946 -7.148 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.669 -17.770 -6.734 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 8.556 -19.488 -7.657 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 7.950 -19.665 -6.081 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 7.020 -18.880 -7.265 1.00 17.08 H new ATOM 777 N GLN A 49 6.246 -15.082 -6.034 1.00 13.28 N ATOM 778 CA GLN A 49 5.564 -14.837 -7.300 1.00 12.91 C ATOM 779 C GLN A 49 4.946 -16.130 -7.821 1.00 13.82 C ATOM 780 O GLN A 49 5.622 -17.158 -7.905 1.00 14.97 O ATOM 781 CB GLN A 49 6.550 -14.268 -8.327 1.00 13.03 C ATOM 782 CG GLN A 49 5.936 -14.003 -9.695 1.00 12.43 C ATOM 783 CD GLN A 49 6.941 -13.451 -10.694 1.00 12.64 C ATOM 784 OE1 GLN A 49 6.588 -12.674 -11.580 1.00 12.65 O ATOM 785 NE2 GLN A 49 8.199 -13.857 -10.563 1.00 12.96 N ATOM 0 H GLN A 49 7.252 -15.223 -6.122 1.00 13.28 H new ATOM 0 HA GLN A 49 4.768 -14.110 -7.138 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.965 -13.337 -7.940 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.381 -14.964 -8.442 1.00 13.03 H new ATOM 0 HG2 GLN A 49 5.514 -14.929 -10.085 1.00 12.43 H new ATOM 0 HG3 GLN A 49 5.112 -13.298 -9.588 1.00 12.43 H new ATOM 0 HE21 GLN A 49 8.451 -14.502 -9.814 1.00 12.96 H new ATOM 0 HE22 GLN A 49 8.913 -13.523 -11.211 1.00 12.96 H new ATOM 794 N LEU A 50 3.663 -16.080 -8.171 1.00 13.33 N ATOM 795 CA LEU A 50 2.963 -17.257 -8.673 1.00 14.13 C ATOM 796 C LEU A 50 3.492 -17.672 -10.041 1.00 14.81 C ATOM 797 O LEU A 50 3.622 -16.845 -10.946 1.00 14.27 O ATOM 798 CB LEU A 50 1.456 -16.991 -8.754 1.00 13.38 C ATOM 799 CG LEU A 50 0.736 -16.878 -7.404 1.00 12.72 C ATOM 800 CD1 LEU A 50 1.229 -15.668 -6.627 1.00 12.09 C ATOM 801 CD2 LEU A 50 -0.770 -16.804 -7.607 1.00 13.76 C ATOM 0 H LEU A 50 3.089 -15.239 -8.116 1.00 13.33 H new ATOM 0 HA LEU A 50 3.143 -18.074 -7.974 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.296 -16.068 -9.311 1.00 13.38 H new ATOM 0 HB3 LEU A 50 0.993 -17.793 -9.328 1.00 13.38 H new ATOM 0 HG LEU A 50 0.963 -17.771 -6.822 1.00 12.72 H new ATOM 0 HD11 LEU A 50 0.704 -15.609 -5.674 1.00 12.09 H new ATOM 0 HD12 LEU A 50 2.300 -15.763 -6.446 1.00 12.09 H new ATOM 0 HD13 LEU A 50 1.037 -14.763 -7.203 1.00 12.09 H new ATOM 0 HD21 LEU A 50 -1.264 -16.724 -6.639 1.00 13.76 H new ATOM 0 HD22 LEU A 50 -1.013 -15.930 -8.212 1.00 13.76 H new ATOM 0 HD23 LEU A 50 -1.113 -17.704 -8.116 1.00 13.76 H new ATOM 813 N GLU A 51 3.797 -18.959 -10.180 1.00 16.07 N ATOM 814 CA GLU A 51 4.308 -19.493 -11.435 1.00 16.92 C ATOM 815 C GLU A 51 3.156 -19.884 -12.355 1.00 17.12 C ATOM 816 O GLU A 51 2.239 -20.595 -11.951 1.00 17.35 O ATOM 817 CB GLU A 51 5.213 -20.699 -11.175 1.00 18.22 C ATOM 818 CG GLU A 51 6.431 -20.381 -10.320 1.00 19.07 C ATOM 819 CD GLU A 51 7.348 -19.357 -10.963 1.00 20.22 C ATOM 820 OE1 GLU A 51 7.126 -18.144 -10.753 1.00 21.00 O ATOM 821 OE2 GLU A 51 8.290 -19.767 -11.674 1.00 20.40 O ATOM 0 H GLU A 51 3.698 -19.651 -9.437 1.00 16.07 H new ATOM 0 HA GLU A 51 4.897 -18.718 -11.925 1.00 16.92 H new ATOM 0 HB2 GLU A 51 4.631 -21.479 -10.685 1.00 18.22 H new ATOM 0 HB3 GLU A 51 5.547 -21.103 -12.131 1.00 18.22 H new ATOM 0 HG2 GLU A 51 6.101 -20.009 -9.350 1.00 19.07 H new ATOM 0 HG3 GLU A 51 6.990 -21.298 -10.136 1.00 19.07 H new ATOM 828 N ASP A 52 3.209 -19.391 -13.588 1.00 17.11 N ATOM 829 CA ASP A 52 2.179 -19.665 -14.589 1.00 17.32 C ATOM 830 C ASP A 52 1.895 -21.162 -14.753 1.00 18.50 C ATOM 831 O ASP A 52 0.768 -21.550 -15.060 1.00 18.49 O ATOM 832 CB ASP A 52 2.592 -19.070 -15.937 1.00 17.56 C ATOM 833 CG ASP A 52 2.481 -17.556 -15.958 1.00 16.47 C ATOM 834 OD1 ASP A 52 3.320 -16.889 -15.316 1.00 15.96 O ATOM 835 OD2 ASP A 52 1.552 -17.039 -16.614 1.00 16.20 O ATOM 0 H ASP A 52 3.964 -18.792 -13.923 1.00 17.11 H new ATOM 0 HA ASP A 52 1.260 -19.198 -14.236 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.619 -19.360 -16.160 1.00 17.56 H new ATOM 0 HB3 ASP A 52 1.965 -19.489 -16.724 1.00 17.56 H new ATOM 840 N GLY A 53 2.913 -21.997 -14.551 1.00 19.52 N ATOM 841 CA GLY A 53 2.739 -23.435 -14.708 1.00 20.72 C ATOM 842 C GLY A 53 2.280 -24.141 -13.442 1.00 20.81 C ATOM 843 O GLY A 53 2.163 -25.367 -13.423 1.00 21.79 O ATOM 0 H GLY A 53 3.853 -21.706 -14.282 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.012 -23.619 -15.499 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.683 -23.872 -15.034 1.00 20.72 H new ATOM 847 N ARG A 54 2.020 -23.376 -12.384 1.00 19.86 N ATOM 848 CA ARG A 54 1.571 -23.947 -11.113 1.00 20.02 C ATOM 849 C ARG A 54 0.071 -23.740 -10.925 1.00 19.36 C ATOM 850 O ARG A 54 -0.584 -23.124 -11.761 1.00 18.53 O ATOM 851 CB ARG A 54 2.341 -23.320 -9.946 1.00 19.57 C ATOM 852 CG ARG A 54 3.835 -23.612 -9.971 1.00 20.34 C ATOM 853 CD ARG A 54 4.136 -25.065 -9.644 1.00 21.73 C ATOM 854 NE ARG A 54 5.567 -25.353 -9.716 1.00 22.50 N ATOM 855 CZ ARG A 54 6.120 -26.475 -9.267 1.00 23.45 C ATOM 856 NH1 ARG A 54 5.366 -27.411 -8.706 1.00 23.75 N ATOM 857 NH2 ARG A 54 7.428 -26.663 -9.379 1.00 24.16 N ATOM 0 H ARG A 54 2.112 -22.360 -12.380 1.00 19.86 H new ATOM 0 HA ARG A 54 1.770 -25.018 -11.132 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.191 -22.241 -9.961 1.00 19.57 H new ATOM 0 HB3 ARG A 54 1.924 -23.687 -9.008 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.235 -23.372 -10.956 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.343 -22.966 -9.254 1.00 20.34 H new ATOM 0 HD2 ARG A 54 3.769 -25.296 -8.644 1.00 21.73 H new ATOM 0 HD3 ARG A 54 3.600 -25.712 -10.338 1.00 21.73 H new ATOM 0 HE ARG A 54 6.177 -24.652 -10.136 1.00 22.50 H new ATOM 0 HH11 ARG A 54 4.360 -27.270 -8.618 1.00 23.75 H new ATOM 0 HH12 ARG A 54 5.793 -28.271 -8.362 1.00 23.75 H new ATOM 0 HH21 ARG A 54 8.011 -25.946 -9.810 1.00 24.16 H new ATOM 0 HH22 ARG A 54 7.851 -27.525 -9.034 1.00 24.16 H new ATOM 871 N THR A 55 -0.466 -24.265 -9.825 1.00 19.79 N ATOM 872 CA THR A 55 -1.892 -24.135 -9.525 1.00 19.31 C ATOM 873 C THR A 55 -2.109 -23.478 -8.167 1.00 18.56 C ATOM 874 O THR A 55 -1.203 -23.435 -7.336 1.00 18.57 O ATOM 875 CB THR A 55 -2.606 -25.503 -9.540 1.00 20.43 C ATOM 876 OG1 THR A 55 -2.080 -26.346 -8.508 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.446 -26.191 -10.889 1.00 21.11 C ATOM 0 H THR A 55 0.065 -24.785 -9.126 1.00 19.79 H new ATOM 0 HA THR A 55 -2.319 -23.506 -10.306 1.00 19.31 H new ATOM 0 HB THR A 55 -3.667 -25.328 -9.363 1.00 20.43 H new ATOM 0 HG1 THR A 55 -1.136 -26.535 -8.689 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.959 -27.152 -10.870 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.877 -25.565 -11.670 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.387 -26.349 -11.094 1.00 21.11 H new ATOM 885 N LEU A 56 -3.311 -22.946 -7.957 1.00 17.96 N ATOM 886 CA LEU A 56 -3.658 -22.293 -6.698 1.00 17.35 C ATOM 887 C LEU A 56 -3.351 -23.185 -5.493 1.00 18.41 C ATOM 888 O LEU A 56 -3.020 -22.687 -4.417 1.00 18.24 O ATOM 889 CB LEU A 56 -5.139 -21.901 -6.694 1.00 16.66 C ATOM 890 CG LEU A 56 -5.489 -20.663 -7.527 1.00 15.55 C ATOM 891 CD1 LEU A 56 -5.222 -20.910 -9.005 1.00 14.99 C ATOM 892 CD2 LEU A 56 -6.941 -20.266 -7.309 1.00 14.57 C ATOM 0 H LEU A 56 -4.063 -22.955 -8.646 1.00 17.96 H new ATOM 0 HA LEU A 56 -3.045 -21.395 -6.614 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.722 -22.744 -7.063 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.449 -21.726 -5.664 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.851 -19.842 -7.198 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -5.478 -20.017 -9.575 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -4.167 -21.143 -9.150 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -5.829 -21.747 -9.350 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -7.171 -19.385 -7.908 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -7.592 -21.088 -7.607 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -7.102 -20.040 -6.255 1.00 14.57 H new ATOM 904 N SER A 57 -3.452 -24.498 -5.679 1.00 19.54 N ATOM 905 CA SER A 57 -3.194 -25.450 -4.598 1.00 20.67 C ATOM 906 C SER A 57 -1.707 -25.518 -4.246 1.00 21.10 C ATOM 907 O SER A 57 -1.347 -25.857 -3.118 1.00 21.74 O ATOM 908 CB SER A 57 -3.700 -26.840 -4.988 1.00 21.76 C ATOM 909 OG SER A 57 -3.111 -27.278 -6.200 1.00 21.61 O ATOM 0 H SER A 57 -3.710 -24.929 -6.567 1.00 19.54 H new ATOM 0 HA SER A 57 -3.731 -25.101 -3.716 1.00 20.67 H new ATOM 0 HB2 SER A 57 -3.472 -27.549 -4.193 1.00 21.76 H new ATOM 0 HB3 SER A 57 -4.785 -26.818 -5.095 1.00 21.76 H new ATOM 0 HG SER A 57 -2.762 -26.506 -6.692 1.00 21.61 H new ATOM 915 N ASP A 58 -0.849 -25.192 -5.211 1.00 20.79 N ATOM 916 CA ASP A 58 0.597 -25.222 -4.991 1.00 21.19 C ATOM 917 C ASP A 58 1.012 -24.203 -3.934 1.00 20.53 C ATOM 918 O ASP A 58 1.903 -24.465 -3.125 1.00 21.09 O ATOM 919 CB ASP A 58 1.356 -24.953 -6.294 1.00 20.98 C ATOM 920 CG ASP A 58 1.427 -26.176 -7.188 1.00 22.06 C ATOM 921 OD1 ASP A 58 0.488 -26.387 -7.982 1.00 21.87 O ATOM 922 OD2 ASP A 58 2.423 -26.924 -7.094 1.00 23.14 O ATOM 0 H ASP A 58 -1.128 -24.905 -6.149 1.00 20.79 H new ATOM 0 HA ASP A 58 0.852 -26.220 -4.635 1.00 21.19 H new ATOM 0 HB2 ASP A 58 0.869 -24.141 -6.833 1.00 20.98 H new ATOM 0 HB3 ASP A 58 2.367 -24.619 -6.060 1.00 20.98 H new ATOM 927 N TYR A 59 0.358 -23.043 -3.944 1.00 19.37 N ATOM 928 CA TYR A 59 0.666 -21.979 -2.992 1.00 18.69 C ATOM 929 C TYR A 59 -0.315 -21.964 -1.819 1.00 18.82 C ATOM 930 O TYR A 59 -0.286 -21.051 -0.992 1.00 18.30 O ATOM 931 CB TYR A 59 0.659 -20.625 -3.703 1.00 17.29 C ATOM 932 CG TYR A 59 1.735 -20.502 -4.759 1.00 17.19 C ATOM 933 CD1 TYR A 59 1.524 -20.969 -6.051 1.00 17.17 C ATOM 934 CD2 TYR A 59 2.964 -19.926 -4.461 1.00 17.22 C ATOM 935 CE1 TYR A 59 2.507 -20.866 -7.015 1.00 17.26 C ATOM 936 CE2 TYR A 59 3.950 -19.818 -5.421 1.00 17.25 C ATOM 937 CZ TYR A 59 3.718 -20.289 -6.694 1.00 17.30 C ATOM 938 OH TYR A 59 4.699 -20.186 -7.651 1.00 17.49 O ATOM 0 H TYR A 59 -0.389 -22.817 -4.601 1.00 19.37 H new ATOM 0 HA TYR A 59 1.659 -22.172 -2.587 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.315 -20.470 -4.166 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.791 -19.834 -2.965 1.00 17.29 H new ATOM 0 HD1 TYR A 59 0.576 -21.420 -6.305 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.151 -19.557 -3.463 1.00 17.22 H new ATOM 0 HE1 TYR A 59 2.329 -21.235 -8.014 1.00 17.26 H new ATOM 0 HE2 TYR A 59 4.899 -19.366 -5.175 1.00 17.25 H new ATOM 0 HH TYR A 59 5.005 -19.257 -7.707 1.00 17.49 H new ATOM 948 N ASN A 60 -1.178 -22.977 -1.749 1.00 19.61 N ATOM 949 CA ASN A 60 -2.160 -23.086 -0.668 1.00 19.94 C ATOM 950 C ASN A 60 -3.131 -21.904 -0.670 1.00 18.78 C ATOM 951 O ASN A 60 -3.559 -21.436 0.386 1.00 18.73 O ATOM 952 CB ASN A 60 -1.449 -23.180 0.687 1.00 20.73 C ATOM 953 CG ASN A 60 -0.355 -24.230 0.695 1.00 21.53 C ATOM 954 OD1 ASN A 60 0.862 -23.818 0.359 1.00 21.59 O flip ATOM 955 ND2 ASN A 60 -0.600 -25.396 1.001 1.00 22.24 N flip ATOM 0 H ASN A 60 -1.218 -23.736 -2.429 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.738 -23.995 -0.835 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -1.019 -22.210 0.937 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -2.179 -23.414 1.462 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -1.550 -25.668 1.253 1.00 22.24 H new ATOM 0 HD22 ASN A 60 0.147 -26.090 1.003 1.00 22.24 H new ATOM 962 N ILE A 61 -3.485 -21.435 -1.864 1.00 17.93 N ATOM 963 CA ILE A 61 -4.407 -20.311 -2.010 1.00 16.80 C ATOM 964 C ILE A 61 -5.856 -20.754 -1.816 1.00 17.14 C ATOM 965 O ILE A 61 -6.426 -21.432 -2.671 1.00 17.46 O ATOM 966 CB ILE A 61 -4.262 -19.645 -3.396 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.829 -19.144 -3.598 1.00 15.44 C ATOM 968 CG2 ILE A 61 -5.256 -18.500 -3.547 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.544 -18.655 -5.002 1.00 14.60 C ATOM 0 H ILE A 61 -3.146 -21.817 -2.747 1.00 17.93 H new ATOM 0 HA ILE A 61 -4.149 -19.587 -1.237 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.480 -20.389 -4.162 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.635 -18.334 -2.895 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -2.135 -19.949 -3.356 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -5.138 -18.043 -4.530 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -6.271 -18.883 -3.444 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -5.070 -17.753 -2.775 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.510 -18.317 -5.067 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.705 -19.468 -5.710 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -3.212 -17.828 -5.242 1.00 14.60 H new ATOM 981 N GLN A 62 -6.443 -20.370 -0.681 1.00 17.17 N ATOM 982 CA GLN A 62 -7.828 -20.722 -0.372 1.00 17.56 C ATOM 983 C GLN A 62 -8.785 -19.601 -0.775 1.00 16.44 C ATOM 984 O GLN A 62 -8.364 -18.573 -1.308 1.00 15.35 O ATOM 985 CB GLN A 62 -7.975 -21.026 1.122 1.00 18.57 C ATOM 986 CG GLN A 62 -6.957 -22.030 1.647 1.00 19.77 C ATOM 987 CD GLN A 62 -6.943 -23.329 0.860 1.00 20.75 C ATOM 988 OE1 GLN A 62 -8.098 -23.718 0.331 1.00 21.49 O flip ATOM 989 NE2 GLN A 62 -5.904 -23.977 0.732 1.00 20.83 N flip ATOM 0 H GLN A 62 -5.980 -19.815 0.039 1.00 17.17 H new ATOM 0 HA GLN A 62 -8.086 -21.612 -0.946 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.878 -20.097 1.684 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.978 -21.408 1.309 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -5.964 -21.582 1.615 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -7.176 -22.248 2.692 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -5.038 -23.642 1.155 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -5.909 -24.849 0.203 1.00 20.83 H new ATOM 998 N LYS A 63 -10.076 -19.812 -0.520 1.00 16.74 N ATOM 999 CA LYS A 63 -11.106 -18.830 -0.855 1.00 15.83 C ATOM 1000 C LYS A 63 -10.906 -17.514 -0.104 1.00 15.40 C ATOM 1001 O LYS A 63 -10.290 -17.481 0.962 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.494 -19.399 -0.549 1.00 16.42 C ATOM 1003 CG LYS A 63 -12.707 -19.738 0.919 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.070 -20.371 1.154 1.00 18.15 C ATOM 1005 CE LYS A 63 -14.348 -20.565 2.636 1.00 19.19 C ATOM 1006 NZ LYS A 63 -14.402 -19.267 3.364 1.00 18.86 N ATOM 0 H LYS A 63 -10.434 -20.659 -0.080 1.00 16.74 H new ATOM 0 HA LYS A 63 -11.023 -18.619 -1.921 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -13.249 -18.677 -0.859 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.648 -20.298 -1.146 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -11.925 -20.421 1.253 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.617 -18.833 1.519 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.845 -19.741 0.717 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.118 -21.334 0.645 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.294 -21.092 2.762 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -13.572 -21.194 3.072 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -15.250 -19.241 3.965 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -13.554 -19.166 3.957 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -14.440 -18.486 2.678 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.433 -16.432 -0.682 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.337 -15.098 -0.088 1.00 13.93 C ATOM 1022 C GLU A 64 -9.882 -14.682 0.119 1.00 13.56 C ATOM 1023 O GLU A 64 -9.564 -13.932 1.044 1.00 13.53 O ATOM 1024 CB GLU A 64 -12.103 -15.046 1.241 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.616 -15.016 1.073 1.00 15.11 C ATOM 1026 CD GLU A 64 -14.155 -16.246 0.369 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -14.212 -16.243 -0.880 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -14.522 -17.215 1.067 1.00 16.92 O ATOM 0 H GLU A 64 -11.935 -16.456 -1.569 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.790 -14.391 -0.783 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.830 -15.913 1.842 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.790 -14.162 1.797 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -14.084 -14.930 2.054 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.896 -14.127 0.507 1.00 15.11 H new ATOM 1035 N SER A 65 -9.005 -15.164 -0.757 1.00 13.38 N ATOM 1036 CA SER A 65 -7.585 -14.838 -0.683 1.00 13.05 C ATOM 1037 C SER A 65 -7.294 -13.533 -1.418 1.00 11.65 C ATOM 1038 O SER A 65 -8.066 -13.114 -2.278 1.00 10.94 O ATOM 1039 CB SER A 65 -6.752 -15.973 -1.285 1.00 13.61 C ATOM 1040 OG SER A 65 -5.378 -15.635 -1.330 1.00 14.92 O ATOM 0 H SER A 65 -9.254 -15.783 -1.528 1.00 13.38 H new ATOM 0 HA SER A 65 -7.315 -14.714 0.366 1.00 13.05 H new ATOM 0 HB2 SER A 65 -6.887 -16.879 -0.694 1.00 13.61 H new ATOM 0 HB3 SER A 65 -7.108 -16.194 -2.292 1.00 13.61 H new ATOM 0 HG SER A 65 -4.877 -16.219 -0.723 1.00 14.92 H new ATOM 1046 N THR A 66 -6.181 -12.896 -1.068 1.00 11.29 N ATOM 1047 CA THR A 66 -5.782 -11.640 -1.698 1.00 9.99 C ATOM 1048 C THR A 66 -4.492 -11.821 -2.495 1.00 9.57 C ATOM 1049 O THR A 66 -3.482 -12.287 -1.967 1.00 10.12 O ATOM 1050 CB THR A 66 -5.589 -10.521 -0.653 1.00 9.92 C ATOM 1051 OG1 THR A 66 -5.092 -9.336 -1.288 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.631 -10.952 0.450 1.00 8.71 C ATOM 0 H THR A 66 -5.537 -13.229 -0.350 1.00 11.29 H new ATOM 0 HA THR A 66 -6.585 -11.348 -2.374 1.00 9.99 H new ATOM 0 HB THR A 66 -6.559 -10.314 -0.201 1.00 9.92 H new ATOM 0 HG1 THR A 66 -4.974 -8.631 -0.618 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.517 -10.142 1.170 1.00 8.71 H new ATOM 0 HG22 THR A 66 -5.030 -11.832 0.955 1.00 8.71 H new ATOM 0 HG23 THR A 66 -3.660 -11.191 0.016 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.542 -11.454 -3.773 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.392 -11.567 -4.664 1.00 8.45 C ATOM 1062 C LEU A 67 -2.934 -10.183 -5.112 1.00 7.19 C ATOM 1063 O LEU A 67 -3.710 -9.424 -5.693 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.755 -12.415 -5.888 1.00 8.71 C ATOM 1065 CG LEU A 67 -4.439 -13.751 -5.581 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.830 -14.459 -6.870 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.535 -14.638 -4.736 1.00 10.94 C ATOM 0 H LEU A 67 -5.377 -11.072 -4.218 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.579 -12.051 -4.123 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.411 -11.830 -6.533 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.845 -12.613 -6.454 1.00 8.71 H new ATOM 0 HG LEU A 67 -5.346 -13.548 -5.011 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -5.314 -15.406 -6.632 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.518 -13.831 -7.436 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -3.938 -14.648 -7.467 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -4.041 -15.581 -4.530 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -2.609 -14.833 -5.276 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -3.308 -14.135 -3.796 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.673 -9.861 -4.845 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.127 -8.559 -5.212 1.00 5.99 C ATOM 1081 C HIS A 68 -0.612 -8.550 -6.650 1.00 5.70 C ATOM 1082 O HIS A 68 0.382 -9.203 -6.970 1.00 6.53 O ATOM 1083 CB HIS A 68 -0.005 -8.166 -4.248 1.00 6.18 C ATOM 1084 CG HIS A 68 0.186 -6.684 -4.123 1.00 6.68 C ATOM 1085 ND1 HIS A 68 0.570 -6.073 -2.948 1.00 6.45 N ATOM 1086 CD2 HIS A 68 0.040 -5.690 -5.031 1.00 7.71 C ATOM 1087 CE1 HIS A 68 0.653 -4.769 -3.138 1.00 7.36 C ATOM 1088 NE2 HIS A 68 0.336 -4.510 -4.394 1.00 8.09 N ATOM 0 H HIS A 68 -1.012 -10.481 -4.377 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.934 -7.829 -5.142 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.221 -8.581 -3.263 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.928 -8.617 -4.586 1.00 6.18 H new ATOM 0 HD1 HIS A 68 0.760 -6.554 -2.069 1.00 6.45 H new ATOM 0 HD2 HIS A 68 -0.254 -5.804 -6.064 1.00 7.71 H new ATOM 0 HE1 HIS A 68 0.932 -4.038 -2.393 1.00 7.36 H new ATOM 1097 N LEU A 69 -1.300 -7.803 -7.513 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.913 -7.685 -8.915 1.00 4.96 C ATOM 1099 C LEU A 69 0.001 -6.478 -9.099 1.00 4.58 C ATOM 1100 O LEU A 69 -0.420 -5.337 -8.899 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.153 -7.546 -9.804 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.868 -7.439 -11.306 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -1.379 -8.771 -11.857 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.108 -6.973 -12.056 1.00 5.42 C ATOM 0 H LEU A 69 -2.132 -7.269 -7.262 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.377 -8.588 -9.208 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.801 -8.405 -9.633 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.708 -6.661 -9.491 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.081 -6.699 -11.451 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -1.183 -8.673 -12.925 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -0.462 -9.062 -11.345 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -2.142 -9.533 -11.697 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -2.885 -6.904 -13.121 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.917 -7.687 -11.901 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.412 -5.994 -11.684 1.00 5.42 H new ATOM 1116 N VAL A 70 1.253 -6.731 -9.478 1.00 5.29 N ATOM 1117 CA VAL A 70 2.225 -5.658 -9.665 1.00 5.30 C ATOM 1118 C VAL A 70 3.039 -5.831 -10.946 1.00 6.23 C ATOM 1119 O VAL A 70 2.642 -6.557 -11.857 1.00 7.13 O ATOM 1120 CB VAL A 70 3.188 -5.572 -8.458 1.00 5.71 C ATOM 1121 CG1 VAL A 70 2.410 -5.364 -7.165 1.00 5.73 C ATOM 1122 CG2 VAL A 70 4.055 -6.820 -8.369 1.00 5.32 C ATOM 0 H VAL A 70 1.616 -7.667 -9.661 1.00 5.29 H new ATOM 0 HA VAL A 70 1.654 -4.733 -9.747 1.00 5.30 H new ATOM 0 HB VAL A 70 3.843 -4.713 -8.605 1.00 5.71 H new ATOM 0 HG11 VAL A 70 3.105 -5.306 -6.327 1.00 5.73 H new ATOM 0 HG12 VAL A 70 1.840 -4.437 -7.228 1.00 5.73 H new ATOM 0 HG13 VAL A 70 1.727 -6.200 -7.013 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.725 -6.738 -7.513 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.419 -7.697 -8.249 1.00 5.32 H new ATOM 0 HG23 VAL A 70 4.643 -6.920 -9.281 1.00 5.32 H new ATOM 1266 N GLU B 7 17.218 12.293 5.462 1.00 7.18 N ATOM 1267 CA GLU B 7 15.805 12.026 5.715 1.00 6.79 C ATOM 1268 C GLU B 7 15.615 10.544 6.019 1.00 6.27 C ATOM 1269 O GLU B 7 16.134 9.689 5.300 1.00 6.06 O ATOM 1270 CB GLU B 7 14.964 12.423 4.500 1.00 6.70 C ATOM 1271 CG GLU B 7 14.979 13.915 4.208 1.00 7.25 C ATOM 1272 CD GLU B 7 14.314 14.257 2.887 1.00 7.37 C ATOM 1273 OE1 GLU B 7 13.065 14.244 2.829 1.00 7.53 O ATOM 1274 OE2 GLU B 7 15.040 14.537 1.911 1.00 7.56 O ATOM 0 HA GLU B 7 15.478 12.616 6.571 1.00 6.79 H new ATOM 0 HB2 GLU B 7 15.330 11.887 3.625 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.934 12.104 4.662 1.00 6.70 H new ATOM 0 HG2 GLU B 7 14.471 14.445 5.014 1.00 7.25 H new ATOM 0 HG3 GLU B 7 16.010 14.269 4.194 1.00 7.25 H new ATOM 1281 N TYR B 8 14.876 10.242 7.084 1.00 6.11 N ATOM 1282 CA TYR B 8 14.638 8.854 7.472 1.00 5.67 C ATOM 1283 C TYR B 8 13.151 8.557 7.657 1.00 5.23 C ATOM 1284 O TYR B 8 12.337 9.460 7.846 1.00 5.37 O ATOM 1285 CB TYR B 8 15.394 8.522 8.762 1.00 5.93 C ATOM 1286 CG TYR B 8 16.867 8.865 8.716 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.300 10.175 8.879 1.00 6.75 C ATOM 1288 CD2 TYR B 8 17.826 7.878 8.515 1.00 6.73 C ATOM 1289 CE1 TYR B 8 18.644 10.493 8.844 1.00 7.21 C ATOM 1290 CE2 TYR B 8 19.172 8.188 8.478 1.00 7.19 C ATOM 1291 CZ TYR B 8 19.576 9.497 8.643 1.00 7.34 C ATOM 1292 OH TYR B 8 20.915 9.809 8.607 1.00 7.84 O ATOM 0 H TYR B 8 14.435 10.934 7.690 1.00 6.11 H new ATOM 0 HA TYR B 8 15.007 8.227 6.660 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.932 9.059 9.591 1.00 5.93 H new ATOM 0 HB3 TYR B 8 15.285 7.458 8.971 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.573 10.958 9.036 1.00 6.75 H new ATOM 0 HD2 TYR B 8 17.513 6.852 8.386 1.00 6.73 H new ATOM 0 HE1 TYR B 8 18.963 11.517 8.973 1.00 7.21 H new ATOM 0 HE2 TYR B 8 19.904 7.410 8.321 1.00 7.19 H new ATOM 0 HH TYR B 8 21.437 8.993 8.458 1.00 7.84 H new ATOM 1302 N CYS B 9 12.825 7.274 7.598 1.00 4.73 N ATOM 1303 CA CYS B 9 11.449 6.811 7.762 1.00 4.31 C ATOM 1304 C CYS B 9 11.422 5.512 8.562 1.00 3.91 C ATOM 1305 O CYS B 9 12.340 4.699 8.462 1.00 3.80 O ATOM 1306 CB CYS B 9 10.789 6.603 6.395 1.00 4.13 C ATOM 1307 SG CYS B 9 10.955 8.008 5.270 1.00 4.61 S ATOM 0 H CYS B 9 13.500 6.526 7.436 1.00 4.73 H new ATOM 0 HA CYS B 9 10.889 7.571 8.307 1.00 4.31 H new ATOM 0 HB2 CYS B 9 11.225 5.722 5.924 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.730 6.394 6.544 1.00 4.13 H new ATOM 0 HG CYS B 9 10.367 7.734 4.143 1.00 4.61 H new ATOM 1313 N ARG B 10 10.365 5.318 9.356 1.00 3.77 N ATOM 1314 CA ARG B 10 10.242 4.114 10.174 1.00 3.48 C ATOM 1315 C ARG B 10 9.270 3.119 9.544 1.00 3.02 C ATOM 1316 O ARG B 10 8.263 3.509 8.952 1.00 3.04 O ATOM 1317 CB ARG B 10 9.784 4.473 11.589 1.00 3.74 C ATOM 1318 CG ARG B 10 9.978 3.351 12.599 1.00 3.64 C ATOM 1319 CD ARG B 10 9.490 3.754 13.981 1.00 3.85 C ATOM 1320 NE ARG B 10 9.868 2.780 15.004 1.00 3.92 N ATOM 1321 CZ ARG B 10 9.211 2.614 16.149 1.00 4.05 C ATOM 1322 NH1 ARG B 10 8.123 3.329 16.406 1.00 4.22 N ATOM 1323 NH2 ARG B 10 9.638 1.727 17.037 1.00 4.43 N ATOM 0 H ARG B 10 9.590 5.974 9.448 1.00 3.77 H new ATOM 0 HA ARG B 10 11.224 3.644 10.229 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.333 5.352 11.927 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.729 4.746 11.561 1.00 3.74 H new ATOM 0 HG2 ARG B 10 9.439 2.464 12.266 1.00 3.64 H new ATOM 0 HG3 ARG B 10 11.033 3.083 12.649 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.902 4.729 14.240 1.00 3.85 H new ATOM 0 HD3 ARG B 10 8.405 3.860 13.965 1.00 3.85 H new ATOM 0 HE ARG B 10 10.684 2.193 14.829 1.00 3.92 H new ATOM 0 HH11 ARG B 10 7.787 4.009 15.724 1.00 4.22 H new ATOM 0 HH12 ARG B 10 7.623 3.198 17.285 1.00 4.22 H new ATOM 0 HH21 ARG B 10 10.471 1.171 16.843 1.00 4.43 H new ATOM 0 HH22 ARG B 10 9.134 1.600 17.915 1.00 4.43 H new ATOM 1337 N THR B 11 9.584 1.825 9.681 1.00 2.72 N ATOM 1338 CA THR B 11 8.746 0.765 9.131 1.00 2.35 C ATOM 1339 C THR B 11 7.570 0.444 10.054 1.00 2.40 C ATOM 1340 O THR B 11 7.768 0.117 11.225 1.00 2.57 O ATOM 1341 CB THR B 11 9.564 -0.520 8.904 1.00 2.15 C ATOM 1342 OG1 THR B 11 10.758 -0.219 8.172 1.00 2.48 O ATOM 1343 CG2 THR B 11 8.749 -1.554 8.145 1.00 2.15 C ATOM 0 H THR B 11 10.415 1.492 10.170 1.00 2.72 H new ATOM 0 HA THR B 11 8.361 1.128 8.178 1.00 2.35 H new ATOM 0 HB THR B 11 9.828 -0.931 9.878 1.00 2.15 H new ATOM 0 HG1 THR B 11 11.105 -1.038 7.760 1.00 2.48 H new ATOM 0 HG21 THR B 11 9.348 -2.452 7.997 1.00 2.15 H new ATOM 0 HG22 THR B 11 7.855 -1.804 8.717 1.00 2.15 H new ATOM 0 HG23 THR B 11 8.458 -1.148 7.176 1.00 2.15 H new ATOM 1351 N LEU B 12 6.351 0.536 9.525 1.00 2.42 N ATOM 1352 CA LEU B 12 5.154 0.264 10.319 1.00 2.61 C ATOM 1353 C LEU B 12 4.742 -1.206 10.245 1.00 2.57 C ATOM 1354 O LEU B 12 4.015 -1.683 11.117 1.00 2.79 O ATOM 1355 CB LEU B 12 3.996 1.146 9.844 1.00 2.93 C ATOM 1356 CG LEU B 12 4.273 2.652 9.863 1.00 3.34 C ATOM 1357 CD1 LEU B 12 3.179 3.406 9.122 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.398 3.157 11.293 1.00 3.78 C ATOM 0 H LEU B 12 6.167 0.795 8.556 1.00 2.42 H new ATOM 0 HA LEU B 12 5.392 0.494 11.357 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.731 0.854 8.828 1.00 2.93 H new ATOM 0 HB3 LEU B 12 3.127 0.945 10.470 1.00 2.93 H new ATOM 0 HG LEU B 12 5.220 2.832 9.353 1.00 3.34 H new ATOM 0 HD11 LEU B 12 3.393 4.474 9.146 1.00 3.72 H new ATOM 0 HD12 LEU B 12 3.141 3.067 8.087 1.00 3.72 H new ATOM 0 HD13 LEU B 12 2.218 3.218 9.601 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.595 4.229 11.284 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.470 2.963 11.830 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.219 2.641 11.790 1.00 3.78 H new ATOM 1370 N PHE B 13 5.187 -1.926 9.221 1.00 2.42 N ATOM 1371 CA PHE B 13 4.834 -3.338 9.084 1.00 2.54 C ATOM 1372 C PHE B 13 5.884 -4.089 8.263 1.00 2.25 C ATOM 1373 O PHE B 13 6.455 -3.534 7.326 1.00 1.97 O ATOM 1374 CB PHE B 13 3.459 -3.458 8.417 1.00 2.93 C ATOM 1375 CG PHE B 13 2.825 -4.815 8.552 1.00 3.43 C ATOM 1376 CD1 PHE B 13 3.074 -5.808 7.618 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.977 -5.095 9.611 1.00 3.89 C ATOM 1378 CE1 PHE B 13 2.490 -7.055 7.739 1.00 4.67 C ATOM 1379 CE2 PHE B 13 1.390 -6.340 9.738 1.00 4.60 C ATOM 1380 CZ PHE B 13 1.648 -7.321 8.801 1.00 4.88 C ATOM 0 H PHE B 13 5.786 -1.562 8.480 1.00 2.42 H new ATOM 0 HA PHE B 13 4.799 -3.787 10.077 1.00 2.54 H new ATOM 0 HB2 PHE B 13 2.791 -2.713 8.850 1.00 2.93 H new ATOM 0 HB3 PHE B 13 3.559 -3.220 7.358 1.00 2.93 H new ATOM 0 HD1 PHE B 13 3.732 -5.605 6.786 1.00 3.98 H new ATOM 0 HD2 PHE B 13 1.772 -4.331 10.346 1.00 3.89 H new ATOM 0 HE1 PHE B 13 2.692 -7.820 7.004 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.731 -6.545 10.569 1.00 4.60 H new ATOM 0 HZ PHE B 13 1.192 -8.295 8.899 1.00 4.88 H new ATOM 1390 N PRO B 14 6.157 -5.366 8.607 1.00 2.42 N ATOM 1391 CA PRO B 14 7.142 -6.182 7.886 1.00 2.31 C ATOM 1392 C PRO B 14 6.798 -6.347 6.407 1.00 2.34 C ATOM 1393 O PRO B 14 5.640 -6.554 6.045 1.00 2.77 O ATOM 1394 CB PRO B 14 7.098 -7.536 8.605 1.00 2.76 C ATOM 1395 CG PRO B 14 6.503 -7.246 9.940 1.00 3.11 C ATOM 1396 CD PRO B 14 5.545 -6.107 9.726 1.00 2.88 C ATOM 0 HA PRO B 14 8.128 -5.718 7.895 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.495 -8.257 8.053 1.00 2.76 H new ATOM 0 HB3 PRO B 14 8.096 -7.964 8.702 1.00 2.76 H new ATOM 0 HG2 PRO B 14 5.987 -8.121 10.336 1.00 3.11 H new ATOM 0 HG3 PRO B 14 7.275 -6.977 10.661 1.00 3.11 H new ATOM 0 HD2 PRO B 14 4.545 -6.462 9.476 1.00 2.88 H new ATOM 0 HD3 PRO B 14 5.450 -5.487 10.617 1.00 2.88 H new ATOM 1404 N TYR B 15 7.816 -6.255 5.568 1.00 2.05 N ATOM 1405 CA TYR B 15 7.652 -6.395 4.124 1.00 2.18 C ATOM 1406 C TYR B 15 8.715 -7.320 3.545 1.00 2.20 C ATOM 1407 O TYR B 15 9.901 -7.161 3.827 1.00 2.06 O ATOM 1408 CB TYR B 15 7.739 -5.040 3.424 1.00 2.12 C ATOM 1409 CG TYR B 15 7.689 -5.158 1.915 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.652 -5.844 1.293 1.00 2.50 C ATOM 1411 CD2 TYR B 15 8.681 -4.605 1.115 1.00 3.05 C ATOM 1412 CE1 TYR B 15 6.606 -5.973 -0.081 1.00 2.98 C ATOM 1413 CE2 TYR B 15 8.642 -4.731 -0.260 1.00 3.52 C ATOM 1414 CZ TYR B 15 7.602 -5.416 -0.852 1.00 3.45 C ATOM 1415 OH TYR B 15 7.560 -5.543 -2.221 1.00 4.00 O ATOM 0 H TYR B 15 8.777 -6.082 5.863 1.00 2.05 H new ATOM 0 HA TYR B 15 6.664 -6.823 3.952 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.918 -4.407 3.762 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.665 -4.544 3.715 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.870 -6.283 1.894 1.00 2.50 H new ATOM 0 HD2 TYR B 15 9.496 -4.067 1.576 1.00 3.05 H new ATOM 0 HE1 TYR B 15 5.793 -6.508 -0.549 1.00 2.98 H new ATOM 0 HE2 TYR B 15 9.421 -4.296 -0.868 1.00 3.52 H new ATOM 0 HH TYR B 15 8.144 -6.279 -2.499 1.00 4.00 H new ATOM 1425 N THR B 16 8.287 -8.285 2.733 1.00 2.62 N ATOM 1426 CA THR B 16 9.216 -9.217 2.107 1.00 2.82 C ATOM 1427 C THR B 16 9.281 -8.996 0.599 1.00 2.71 C ATOM 1428 O THR B 16 8.283 -9.147 -0.108 1.00 3.05 O ATOM 1429 CB THR B 16 8.821 -10.680 2.392 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.944 -10.955 3.791 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.691 -11.649 1.601 1.00 3.82 C ATOM 0 H THR B 16 7.307 -8.440 2.495 1.00 2.62 H new ATOM 0 HA THR B 16 10.199 -9.027 2.539 1.00 2.82 H new ATOM 0 HB THR B 16 7.785 -10.817 2.082 1.00 3.44 H new ATOM 0 HG1 THR B 16 8.690 -11.885 3.965 1.00 3.72 H new ATOM 0 HG21 THR B 16 9.389 -12.673 1.822 1.00 3.82 H new ATOM 0 HG22 THR B 16 9.571 -11.458 0.535 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.736 -11.510 1.879 1.00 3.82 H new ATOM 1439 N GLY B 17 10.470 -8.633 0.116 1.00 2.63 N ATOM 1440 CA GLY B 17 10.661 -8.404 -1.305 1.00 2.64 C ATOM 1441 C GLY B 17 10.394 -9.646 -2.130 1.00 2.86 C ATOM 1442 O GLY B 17 10.792 -10.748 -1.752 1.00 3.22 O ATOM 0 H GLY B 17 11.304 -8.494 0.687 1.00 2.63 H new ATOM 0 HA2 GLY B 17 9.999 -7.603 -1.634 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.682 -8.066 -1.482 1.00 2.64 H new ATOM 1446 N THR B 18 9.713 -9.463 -3.260 1.00 2.97 N ATOM 1447 CA THR B 18 9.395 -10.566 -4.157 1.00 3.40 C ATOM 1448 C THR B 18 10.300 -10.526 -5.384 1.00 3.24 C ATOM 1449 O THR B 18 10.494 -11.530 -6.070 1.00 3.53 O ATOM 1450 CB THR B 18 7.922 -10.512 -4.607 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.072 -10.321 -3.470 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.523 -11.792 -5.332 1.00 4.64 C ATOM 0 H THR B 18 9.371 -8.555 -3.575 1.00 2.97 H new ATOM 0 HA THR B 18 9.559 -11.495 -3.611 1.00 3.40 H new ATOM 0 HB THR B 18 7.808 -9.675 -5.296 1.00 4.01 H new ATOM 0 HG1 THR B 18 7.055 -11.140 -2.933 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.479 -11.726 -5.638 1.00 4.64 H new ATOM 0 HG22 THR B 18 8.152 -11.923 -6.213 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.652 -12.644 -4.664 1.00 4.64 H new ATOM 1460 N ASN B 19 10.848 -9.336 -5.641 1.00 2.97 N ATOM 1461 CA ASN B 19 11.752 -9.114 -6.765 1.00 2.95 C ATOM 1462 C ASN B 19 13.120 -8.673 -6.251 1.00 2.53 C ATOM 1463 O ASN B 19 13.236 -8.138 -5.148 1.00 2.37 O ATOM 1464 CB ASN B 19 11.180 -8.051 -7.709 1.00 3.31 C ATOM 1465 CG ASN B 19 11.947 -7.953 -9.016 1.00 3.62 C ATOM 1466 OD1 ASN B 19 12.396 -9.093 -9.528 1.00 3.98 O flip ATOM 1467 ND2 ASN B 19 12.127 -6.864 -9.563 1.00 4.05 N flip ATOM 0 H ASN B 19 10.677 -8.504 -5.076 1.00 2.97 H new ATOM 0 HA ASN B 19 11.861 -10.048 -7.317 1.00 2.95 H new ATOM 0 HB2 ASN B 19 10.137 -8.284 -7.922 1.00 3.31 H new ATOM 0 HB3 ASN B 19 11.195 -7.082 -7.210 1.00 3.31 H new ATOM 0 HD21 ASN B 19 11.765 -6.012 -9.135 1.00 4.05 H new ATOM 0 HD22 ASN B 19 12.638 -6.814 -10.444 1.00 4.05 H new ATOM 1474 N GLU B 20 14.152 -8.903 -7.056 1.00 2.59 N ATOM 1475 CA GLU B 20 15.518 -8.556 -6.675 1.00 2.51 C ATOM 1476 C GLU B 20 15.682 -7.045 -6.524 1.00 2.43 C ATOM 1477 O GLU B 20 16.362 -6.577 -5.611 1.00 2.58 O ATOM 1478 CB GLU B 20 16.503 -9.103 -7.716 1.00 2.89 C ATOM 1479 CG GLU B 20 17.969 -8.964 -7.323 1.00 3.34 C ATOM 1480 CD GLU B 20 18.450 -7.525 -7.331 1.00 3.79 C ATOM 1481 OE1 GLU B 20 18.320 -6.860 -8.381 1.00 4.19 O ATOM 1482 OE2 GLU B 20 18.954 -7.061 -6.286 1.00 4.26 O ATOM 0 H GLU B 20 14.069 -9.329 -7.979 1.00 2.59 H new ATOM 0 HA GLU B 20 15.732 -9.011 -5.708 1.00 2.51 H new ATOM 0 HB2 GLU B 20 16.283 -10.156 -7.889 1.00 2.89 H new ATOM 0 HB3 GLU B 20 16.341 -8.584 -8.661 1.00 2.89 H new ATOM 0 HG2 GLU B 20 18.114 -9.385 -6.328 1.00 3.34 H new ATOM 0 HG3 GLU B 20 18.581 -9.550 -8.009 1.00 3.34 H new ATOM 1489 N ASP B 21 15.037 -6.285 -7.409 1.00 2.53 N ATOM 1490 CA ASP B 21 15.142 -4.829 -7.368 1.00 2.79 C ATOM 1491 C ASP B 21 14.300 -4.252 -6.231 1.00 2.58 C ATOM 1492 O ASP B 21 14.306 -3.044 -5.992 1.00 2.78 O ATOM 1493 CB ASP B 21 14.720 -4.224 -8.709 1.00 3.35 C ATOM 1494 CG ASP B 21 15.028 -2.740 -8.801 1.00 3.78 C ATOM 1495 OD1 ASP B 21 16.203 -2.393 -9.044 1.00 4.22 O ATOM 1496 OD2 ASP B 21 14.095 -1.927 -8.631 1.00 4.18 O ATOM 0 H ASP B 21 14.443 -6.649 -8.154 1.00 2.53 H new ATOM 0 HA ASP B 21 16.184 -4.569 -7.182 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.230 -4.748 -9.517 1.00 3.35 H new ATOM 0 HB3 ASP B 21 13.651 -4.379 -8.853 1.00 3.35 H new ATOM 1501 N GLU B 22 13.581 -5.127 -5.532 1.00 2.35 N ATOM 1502 CA GLU B 22 12.732 -4.716 -4.420 1.00 2.22 C ATOM 1503 C GLU B 22 13.517 -4.709 -3.107 1.00 1.84 C ATOM 1504 O GLU B 22 14.571 -5.339 -3.005 1.00 1.91 O ATOM 1505 CB GLU B 22 11.521 -5.649 -4.317 1.00 2.44 C ATOM 1506 CG GLU B 22 10.191 -4.918 -4.228 1.00 2.91 C ATOM 1507 CD GLU B 22 9.051 -5.703 -4.854 1.00 3.33 C ATOM 1508 OE1 GLU B 22 8.780 -6.830 -4.392 1.00 3.68 O ATOM 1509 OE2 GLU B 22 8.433 -5.191 -5.812 1.00 3.77 O ATOM 0 H GLU B 22 13.571 -6.130 -5.718 1.00 2.35 H new ATOM 0 HA GLU B 22 12.383 -3.701 -4.607 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.506 -6.307 -5.186 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.636 -6.283 -3.438 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.959 -4.719 -3.182 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.278 -3.952 -4.725 1.00 2.91 H new ATOM 1516 N LEU B 23 12.999 -4.000 -2.112 1.00 1.69 N ATOM 1517 CA LEU B 23 13.640 -3.936 -0.796 1.00 1.59 C ATOM 1518 C LEU B 23 12.879 -4.819 0.185 1.00 1.33 C ATOM 1519 O LEU B 23 11.649 -4.879 0.167 1.00 1.30 O ATOM 1520 CB LEU B 23 13.691 -2.493 -0.277 1.00 1.92 C ATOM 1521 CG LEU B 23 15.083 -1.994 0.122 1.00 2.39 C ATOM 1522 CD1 LEU B 23 15.024 -0.544 0.580 1.00 3.13 C ATOM 1523 CD2 LEU B 23 15.678 -2.874 1.211 1.00 2.61 C ATOM 0 H LEU B 23 12.137 -3.460 -2.187 1.00 1.69 H new ATOM 0 HA LEU B 23 14.665 -4.296 -0.891 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.292 -1.832 -1.047 1.00 1.92 H new ATOM 0 HB3 LEU B 23 13.031 -2.411 0.587 1.00 1.92 H new ATOM 0 HG LEU B 23 15.728 -2.050 -0.755 1.00 2.39 H new ATOM 0 HD11 LEU B 23 16.023 -0.210 0.859 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.646 0.079 -0.231 1.00 3.13 H new ATOM 0 HD13 LEU B 23 14.360 -0.461 1.441 1.00 3.13 H new ATOM 0 HD21 LEU B 23 16.667 -2.502 1.480 1.00 2.61 H new ATOM 0 HD22 LEU B 23 15.032 -2.854 2.089 1.00 2.61 H new ATOM 0 HD23 LEU B 23 15.762 -3.898 0.846 1.00 2.61 H new ATOM 1535 N THR B 24 13.637 -5.506 1.039 1.00 1.49 N ATOM 1536 CA THR B 24 13.068 -6.381 2.057 1.00 1.61 C ATOM 1537 C THR B 24 13.407 -5.852 3.449 1.00 1.73 C ATOM 1538 O THR B 24 14.581 -5.701 3.792 1.00 2.12 O ATOM 1539 CB THR B 24 13.590 -7.826 1.907 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.327 -8.307 0.584 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.944 -8.758 2.923 1.00 2.46 C ATOM 0 H THR B 24 14.656 -5.471 1.043 1.00 1.49 H new ATOM 0 HA THR B 24 11.986 -6.393 1.925 1.00 1.61 H new ATOM 0 HB THR B 24 14.665 -7.812 2.088 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.663 -9.224 0.496 1.00 2.21 H new ATOM 0 HG21 THR B 24 13.333 -9.767 2.790 1.00 2.46 H new ATOM 0 HG22 THR B 24 13.171 -8.411 3.931 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.864 -8.764 2.776 1.00 2.46 H new ATOM 1549 N PHE B 25 12.385 -5.576 4.242 1.00 1.59 N ATOM 1550 CA PHE B 25 12.597 -5.034 5.584 1.00 1.85 C ATOM 1551 C PHE B 25 11.648 -5.626 6.620 1.00 2.01 C ATOM 1552 O PHE B 25 10.597 -6.158 6.269 1.00 2.00 O ATOM 1553 CB PHE B 25 12.484 -3.508 5.578 1.00 1.77 C ATOM 1554 CG PHE B 25 11.288 -2.980 4.842 1.00 1.55 C ATOM 1555 CD1 PHE B 25 10.047 -2.935 5.454 1.00 1.98 C ATOM 1556 CD2 PHE B 25 11.409 -2.512 3.544 1.00 1.69 C ATOM 1557 CE1 PHE B 25 8.947 -2.436 4.784 1.00 2.46 C ATOM 1558 CE2 PHE B 25 10.314 -2.015 2.868 1.00 2.12 C ATOM 1559 CZ PHE B 25 9.081 -1.975 3.489 1.00 2.49 C ATOM 0 H PHE B 25 11.407 -5.715 3.988 1.00 1.59 H new ATOM 0 HA PHE B 25 13.608 -5.320 5.875 1.00 1.85 H new ATOM 0 HB2 PHE B 25 12.447 -3.154 6.608 1.00 1.77 H new ATOM 0 HB3 PHE B 25 13.385 -3.090 5.129 1.00 1.77 H new ATOM 0 HD1 PHE B 25 9.938 -3.294 6.467 1.00 1.98 H new ATOM 0 HD2 PHE B 25 12.372 -2.536 3.055 1.00 1.69 H new ATOM 0 HE1 PHE B 25 7.984 -2.406 5.272 1.00 2.46 H new ATOM 0 HE2 PHE B 25 10.421 -1.658 1.854 1.00 2.12 H new ATOM 0 HZ PHE B 25 8.223 -1.584 2.963 1.00 2.49 H new ATOM 1569 N ARG B 26 12.023 -5.538 7.892 1.00 2.36 N ATOM 1570 CA ARG B 26 11.177 -6.032 8.974 1.00 2.64 C ATOM 1571 C ARG B 26 10.611 -4.863 9.782 1.00 2.55 C ATOM 1572 O ARG B 26 10.891 -3.702 9.482 1.00 2.38 O ATOM 1573 CB ARG B 26 11.961 -6.981 9.883 1.00 3.25 C ATOM 1574 CG ARG B 26 12.282 -8.319 9.234 1.00 3.51 C ATOM 1575 CD ARG B 26 13.050 -9.230 10.179 1.00 4.14 C ATOM 1576 NE ARG B 26 13.056 -10.616 9.717 1.00 4.69 N ATOM 1577 CZ ARG B 26 12.055 -11.468 9.927 1.00 5.47 C ATOM 1578 NH1 ARG B 26 10.966 -11.072 10.573 1.00 5.83 N ATOM 1579 NH2 ARG B 26 12.141 -12.715 9.486 1.00 6.21 N ATOM 0 H ARG B 26 12.906 -5.130 8.199 1.00 2.36 H new ATOM 0 HA ARG B 26 10.347 -6.587 8.536 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.892 -6.499 10.181 1.00 3.25 H new ATOM 0 HB3 ARG B 26 11.387 -7.156 10.793 1.00 3.25 H new ATOM 0 HG2 ARG B 26 11.356 -8.807 8.929 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.868 -8.154 8.330 1.00 3.51 H new ATOM 0 HD2 ARG B 26 14.076 -8.874 10.272 1.00 4.14 H new ATOM 0 HD3 ARG B 26 12.604 -9.181 11.173 1.00 4.14 H new ATOM 0 HE ARG B 26 13.873 -10.949 9.205 1.00 4.69 H new ATOM 0 HH11 ARG B 26 10.894 -10.112 10.910 1.00 5.83 H new ATOM 0 HH12 ARG B 26 10.201 -11.727 10.732 1.00 5.83 H new ATOM 0 HH21 ARG B 26 12.975 -13.023 8.985 1.00 6.21 H new ATOM 0 HH22 ARG B 26 11.373 -13.367 9.647 1.00 6.21 H new ATOM 1593 N GLU B 27 9.809 -5.171 10.795 1.00 2.79 N ATOM 1594 CA GLU B 27 9.219 -4.135 11.641 1.00 2.80 C ATOM 1595 C GLU B 27 10.220 -3.697 12.707 1.00 3.17 C ATOM 1596 O GLU B 27 10.949 -4.516 13.269 1.00 3.57 O ATOM 1597 CB GLU B 27 7.935 -4.652 12.295 1.00 3.01 C ATOM 1598 CG GLU B 27 7.126 -3.573 12.999 1.00 2.98 C ATOM 1599 CD GLU B 27 5.748 -4.056 13.416 1.00 3.49 C ATOM 1600 OE1 GLU B 27 5.653 -5.160 13.995 1.00 3.83 O ATOM 1601 OE2 GLU B 27 4.762 -3.333 13.161 1.00 3.87 O ATOM 0 H GLU B 27 9.552 -6.124 11.051 1.00 2.79 H new ATOM 0 HA GLU B 27 8.969 -3.274 11.021 1.00 2.80 H new ATOM 0 HB2 GLU B 27 7.313 -5.120 11.532 1.00 3.01 H new ATOM 0 HB3 GLU B 27 8.193 -5.428 13.016 1.00 3.01 H new ATOM 0 HG2 GLU B 27 7.670 -3.233 13.880 1.00 2.98 H new ATOM 0 HG3 GLU B 27 7.021 -2.713 12.338 1.00 2.98 H new ATOM 1608 N GLY B 28 10.242 -2.390 12.970 1.00 3.14 N ATOM 1609 CA GLY B 28 11.185 -1.828 13.925 1.00 3.60 C ATOM 1610 C GLY B 28 12.504 -1.504 13.246 1.00 3.75 C ATOM 1611 O GLY B 28 13.548 -1.403 13.889 1.00 4.23 O ATOM 0 H GLY B 28 9.620 -1.708 12.536 1.00 3.14 H new ATOM 0 HA2 GLY B 28 10.767 -0.925 14.369 1.00 3.60 H new ATOM 0 HA3 GLY B 28 11.352 -2.535 14.738 1.00 3.60 H new ATOM 1615 N GLU B 29 12.424 -1.345 11.927 1.00 3.41 N ATOM 1616 CA GLU B 29 13.579 -1.071 11.075 1.00 3.61 C ATOM 1617 C GLU B 29 13.751 0.412 10.740 1.00 3.65 C ATOM 1618 O GLU B 29 12.966 1.266 11.153 1.00 3.39 O ATOM 1619 CB GLU B 29 13.489 -1.897 9.788 1.00 3.33 C ATOM 1620 CG GLU B 29 13.729 -3.384 10.000 1.00 3.45 C ATOM 1621 CD GLU B 29 15.200 -3.753 9.960 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.950 -3.311 10.856 1.00 3.93 O ATOM 1623 OE2 GLU B 29 15.602 -4.485 9.031 1.00 4.19 O ATOM 0 H GLU B 29 11.545 -1.403 11.413 1.00 3.41 H new ATOM 0 HA GLU B 29 14.461 -1.361 11.645 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.503 -1.756 9.344 1.00 3.33 H new ATOM 0 HB3 GLU B 29 14.218 -1.518 9.072 1.00 3.33 H new ATOM 0 HG2 GLU B 29 13.310 -3.682 10.961 1.00 3.45 H new ATOM 0 HG3 GLU B 29 13.197 -3.946 9.233 1.00 3.45 H new ATOM 1630 N ILE B 30 14.792 0.667 9.985 1.00 4.10 N ATOM 1631 CA ILE B 30 15.143 2.028 9.579 1.00 4.32 C ATOM 1632 C ILE B 30 15.388 2.115 8.078 1.00 4.27 C ATOM 1633 O ILE B 30 16.229 1.400 7.532 1.00 4.58 O ATOM 1634 CB ILE B 30 16.395 2.546 10.317 1.00 4.94 C ATOM 1635 CG1 ILE B 30 16.174 2.533 11.835 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.746 3.951 9.839 1.00 5.23 C ATOM 1637 CD1 ILE B 30 15.155 3.547 12.315 1.00 4.81 C ATOM 0 H ILE B 30 15.424 -0.051 9.630 1.00 4.10 H new ATOM 0 HA ILE B 30 14.291 2.653 9.846 1.00 4.32 H new ATOM 0 HB ILE B 30 17.229 1.882 10.090 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.851 1.537 12.137 1.00 5.06 H new ATOM 0 HG13 ILE B 30 17.125 2.724 12.333 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.631 4.305 10.368 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.947 3.931 8.768 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.911 4.623 10.039 1.00 5.23 H new ATOM 0 HD11 ILE B 30 15.054 3.477 13.398 1.00 4.81 H new ATOM 0 HD12 ILE B 30 15.485 4.550 12.046 1.00 4.81 H new ATOM 0 HD13 ILE B 30 14.192 3.344 11.847 1.00 4.81 H new ATOM 1649 N ILE B 31 14.646 2.998 7.424 1.00 3.95 N ATOM 1650 CA ILE B 31 14.763 3.192 5.984 1.00 3.95 C ATOM 1651 C ILE B 31 15.113 4.639 5.649 1.00 4.46 C ATOM 1652 O ILE B 31 14.540 5.567 6.213 1.00 4.64 O ATOM 1653 CB ILE B 31 13.453 2.804 5.267 1.00 3.46 C ATOM 1654 CG1 ILE B 31 13.159 1.313 5.475 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.531 3.141 3.781 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.836 0.865 4.892 1.00 2.59 C ATOM 0 H ILE B 31 13.951 3.596 7.871 1.00 3.95 H new ATOM 0 HA ILE B 31 15.567 2.544 5.635 1.00 3.95 H new ATOM 0 HB ILE B 31 12.635 3.381 5.698 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.961 0.728 5.025 1.00 2.97 H new ATOM 0 HG13 ILE B 31 13.167 1.096 6.543 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.597 2.859 3.295 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.695 4.212 3.659 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.356 2.593 3.327 1.00 3.48 H new ATOM 0 HD11 ILE B 31 11.698 -0.200 5.078 1.00 2.59 H new ATOM 0 HD12 ILE B 31 11.025 1.423 5.360 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.831 1.049 3.818 1.00 2.59 H new ATOM 1668 N HIS B 32 16.057 4.824 4.729 1.00 4.75 N ATOM 1669 CA HIS B 32 16.457 6.161 4.300 1.00 5.28 C ATOM 1670 C HIS B 32 15.732 6.525 3.009 1.00 5.20 C ATOM 1671 O HIS B 32 15.689 5.730 2.072 1.00 5.08 O ATOM 1672 CB HIS B 32 17.970 6.235 4.085 1.00 5.69 C ATOM 1673 CG HIS B 32 18.418 7.533 3.483 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.545 7.728 2.123 1.00 6.55 N ATOM 1675 CD2 HIS B 32 18.757 8.708 4.063 1.00 6.53 C ATOM 1676 CE1 HIS B 32 18.944 8.966 1.894 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.078 9.582 3.052 1.00 7.14 N ATOM 0 H HIS B 32 16.558 4.065 4.267 1.00 4.75 H new ATOM 0 HA HIS B 32 16.187 6.870 5.082 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.474 6.092 5.041 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.279 5.415 3.436 1.00 5.69 H new ATOM 0 HD2 HIS B 32 18.772 8.919 5.122 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.129 9.400 0.923 1.00 7.12 H new ATOM 0 HE2 HIS B 32 19.372 10.551 3.177 1.00 7.14 H new ATOM 1686 N LEU B 33 15.166 7.728 2.961 1.00 5.34 N ATOM 1687 CA LEU B 33 14.440 8.179 1.779 1.00 5.40 C ATOM 1688 C LEU B 33 15.404 8.505 0.643 1.00 5.86 C ATOM 1689 O LEU B 33 16.028 9.568 0.624 1.00 6.33 O ATOM 1690 CB LEU B 33 13.581 9.405 2.112 1.00 5.56 C ATOM 1691 CG LEU B 33 12.461 9.716 1.110 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.675 10.941 1.554 1.00 5.60 C ATOM 1693 CD2 LEU B 33 13.026 9.924 -0.291 1.00 5.63 C ATOM 0 H LEU B 33 15.196 8.405 3.724 1.00 5.34 H new ATOM 0 HA LEU B 33 13.785 7.370 1.454 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.135 9.259 3.096 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.233 10.276 2.184 1.00 5.56 H new ATOM 0 HG LEU B 33 11.785 8.861 1.080 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.885 11.148 0.832 1.00 5.60 H new ATOM 0 HD12 LEU B 33 11.233 10.755 2.533 1.00 5.60 H new ATOM 0 HD13 LEU B 33 12.344 11.800 1.616 1.00 5.60 H new ATOM 0 HD21 LEU B 33 12.212 10.143 -0.983 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.728 10.758 -0.280 1.00 5.63 H new ATOM 0 HD23 LEU B 33 13.542 9.020 -0.613 1.00 5.63 H new ATOM 1705 N ILE B 34 15.526 7.570 -0.290 1.00 5.75 N ATOM 1706 CA ILE B 34 16.396 7.745 -1.446 1.00 6.18 C ATOM 1707 C ILE B 34 15.719 8.604 -2.509 1.00 6.46 C ATOM 1708 O ILE B 34 16.202 9.688 -2.842 1.00 6.97 O ATOM 1709 CB ILE B 34 16.800 6.380 -2.058 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.890 5.713 -1.210 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.266 6.540 -3.501 1.00 6.44 C ATOM 1712 CD1 ILE B 34 19.217 6.445 -1.230 1.00 6.06 C ATOM 0 H ILE B 34 15.031 6.678 -0.268 1.00 5.75 H new ATOM 0 HA ILE B 34 17.298 8.251 -1.101 1.00 6.18 H new ATOM 0 HB ILE B 34 15.919 5.738 -2.060 1.00 5.96 H new ATOM 0 HG12 ILE B 34 17.542 5.640 -0.180 1.00 5.72 H new ATOM 0 HG13 ILE B 34 18.042 4.695 -1.567 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.543 5.566 -3.904 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.459 6.964 -4.099 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.129 7.205 -3.533 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.936 5.912 -0.607 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.590 6.495 -2.253 1.00 6.06 H new ATOM 0 HD13 ILE B 34 19.081 7.455 -0.844 1.00 6.06 H new ATOM 1724 N SER B 35 14.599 8.114 -3.034 1.00 6.18 N ATOM 1725 CA SER B 35 13.865 8.843 -4.066 1.00 6.50 C ATOM 1726 C SER B 35 12.403 8.418 -4.158 1.00 6.25 C ATOM 1727 O SER B 35 12.092 7.308 -4.587 1.00 5.79 O ATOM 1728 CB SER B 35 14.538 8.644 -5.427 1.00 6.64 C ATOM 1729 OG SER B 35 15.859 9.157 -5.428 1.00 7.03 O ATOM 0 H SER B 35 14.182 7.223 -2.765 1.00 6.18 H new ATOM 0 HA SER B 35 13.884 9.896 -3.784 1.00 6.50 H new ATOM 0 HB2 SER B 35 14.558 7.582 -5.674 1.00 6.64 H new ATOM 0 HB3 SER B 35 13.952 9.140 -6.201 1.00 6.64 H new ATOM 0 HG SER B 35 15.986 9.735 -4.647 1.00 7.03 H new ATOM 1735 N LYS B 36 11.509 9.313 -3.745 1.00 6.58 N ATOM 1736 CA LYS B 36 10.078 9.043 -3.830 1.00 6.47 C ATOM 1737 C LYS B 36 9.703 8.753 -5.279 1.00 6.70 C ATOM 1738 O LYS B 36 9.389 7.617 -5.627 1.00 6.67 O ATOM 1739 CB LYS B 36 9.267 10.238 -3.318 1.00 6.78 C ATOM 1740 CG LYS B 36 9.304 10.410 -1.808 1.00 6.60 C ATOM 1741 CD LYS B 36 8.409 11.555 -1.356 1.00 6.92 C ATOM 1742 CE LYS B 36 9.004 12.912 -1.713 1.00 7.04 C ATOM 1743 NZ LYS B 36 7.961 13.970 -1.815 1.00 7.52 N ATOM 0 H LYS B 36 11.748 10.223 -3.352 1.00 6.58 H new ATOM 0 HA LYS B 36 9.848 8.178 -3.207 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.644 11.147 -3.786 1.00 6.78 H new ATOM 0 HB3 LYS B 36 8.230 10.123 -3.635 1.00 6.78 H new ATOM 0 HG2 LYS B 36 8.985 9.485 -1.327 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.328 10.599 -1.487 1.00 6.60 H new ATOM 0 HD2 LYS B 36 7.428 11.455 -1.820 1.00 6.92 H new ATOM 0 HD3 LYS B 36 8.259 11.496 -0.278 1.00 6.92 H new ATOM 0 HE2 LYS B 36 9.736 13.197 -0.957 1.00 7.04 H new ATOM 0 HE3 LYS B 36 9.537 12.836 -2.661 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 8.409 14.876 -2.059 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 7.276 13.712 -2.554 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 7.469 14.062 -0.903 1.00 7.52 H new ATOM 1757 N GLU B 37 9.715 9.793 -6.112 1.00 7.01 N ATOM 1758 CA GLU B 37 9.402 9.655 -7.532 1.00 7.29 C ATOM 1759 C GLU B 37 10.122 8.455 -8.151 1.00 7.12 C ATOM 1760 O GLU B 37 11.277 8.559 -8.564 1.00 7.28 O ATOM 1761 CB GLU B 37 9.791 10.936 -8.278 1.00 7.94 C ATOM 1762 CG GLU B 37 8.983 12.151 -7.856 1.00 8.15 C ATOM 1763 CD GLU B 37 9.521 13.442 -8.443 1.00 8.62 C ATOM 1764 OE1 GLU B 37 9.154 13.771 -9.591 1.00 8.93 O ATOM 1765 OE2 GLU B 37 10.311 14.125 -7.757 1.00 8.92 O ATOM 0 H GLU B 37 9.940 10.746 -5.825 1.00 7.01 H new ATOM 0 HA GLU B 37 8.329 9.488 -7.625 1.00 7.29 H new ATOM 0 HB2 GLU B 37 10.849 11.137 -8.111 1.00 7.94 H new ATOM 0 HB3 GLU B 37 9.662 10.777 -9.349 1.00 7.94 H new ATOM 0 HG2 GLU B 37 7.947 12.019 -8.167 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.983 12.223 -6.768 1.00 8.15 H new ATOM 1772 N THR B 38 9.432 7.313 -8.199 1.00 6.83 N ATOM 1773 CA THR B 38 9.993 6.090 -8.770 1.00 6.67 C ATOM 1774 C THR B 38 9.368 5.782 -10.127 1.00 7.05 C ATOM 1775 O THR B 38 9.828 4.899 -10.850 1.00 7.02 O ATOM 1776 CB THR B 38 9.763 4.874 -7.845 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.360 4.681 -7.633 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.463 5.057 -6.505 1.00 5.76 C ATOM 0 H THR B 38 8.480 7.212 -7.847 1.00 6.83 H new ATOM 0 HA THR B 38 11.063 6.263 -8.883 1.00 6.67 H new ATOM 0 HB THR B 38 10.185 3.996 -8.333 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.105 5.061 -6.767 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.282 4.184 -5.878 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.535 5.171 -6.667 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.074 5.947 -6.010 1.00 5.76 H new ATOM 1786 N GLY B 39 8.322 6.534 -10.468 1.00 7.47 N ATOM 1787 CA GLY B 39 7.634 6.327 -11.731 1.00 7.90 C ATOM 1788 C GLY B 39 6.394 5.467 -11.578 1.00 7.94 C ATOM 1789 O GLY B 39 5.647 5.268 -12.537 1.00 8.42 O ATOM 0 H GLY B 39 7.940 7.283 -9.891 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.354 7.293 -12.152 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.315 5.856 -12.440 1.00 7.90 H new ATOM 1793 N GLU B 40 6.178 4.952 -10.365 1.00 7.48 N ATOM 1794 CA GLU B 40 5.020 4.112 -10.073 1.00 7.53 C ATOM 1795 C GLU B 40 4.301 4.607 -8.821 1.00 7.35 C ATOM 1796 O GLU B 40 4.887 4.671 -7.739 1.00 6.94 O ATOM 1797 CB GLU B 40 5.447 2.650 -9.897 1.00 7.20 C ATOM 1798 CG GLU B 40 5.607 1.905 -11.216 1.00 7.44 C ATOM 1799 CD GLU B 40 5.922 0.430 -11.029 1.00 7.63 C ATOM 1800 OE1 GLU B 40 5.038 -0.312 -10.553 1.00 7.96 O ATOM 1801 OE2 GLU B 40 7.054 0.019 -11.359 1.00 7.73 O ATOM 0 H GLU B 40 6.795 5.105 -9.567 1.00 7.48 H new ATOM 0 HA GLU B 40 4.332 4.174 -10.916 1.00 7.53 H new ATOM 0 HB2 GLU B 40 6.391 2.618 -9.353 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.708 2.134 -9.284 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.690 2.004 -11.797 1.00 7.44 H new ATOM 0 HG3 GLU B 40 6.404 2.371 -11.796 1.00 7.44 H new ATOM 1808 N ALA B 41 3.026 4.956 -8.981 1.00 7.70 N ATOM 1809 CA ALA B 41 2.211 5.458 -7.877 1.00 7.61 C ATOM 1810 C ALA B 41 2.107 4.439 -6.747 1.00 7.15 C ATOM 1811 O ALA B 41 1.847 3.259 -6.978 1.00 7.30 O ATOM 1812 CB ALA B 41 0.822 5.827 -8.380 1.00 8.20 C ATOM 0 H ALA B 41 2.532 4.900 -9.872 1.00 7.70 H new ATOM 0 HA ALA B 41 2.699 6.347 -7.478 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.222 6.200 -7.550 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.905 6.600 -9.144 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.343 4.945 -8.806 1.00 8.20 H new ATOM 1818 N GLY B 42 2.310 4.918 -5.519 1.00 6.68 N ATOM 1819 CA GLY B 42 2.244 4.053 -4.354 1.00 6.22 C ATOM 1820 C GLY B 42 3.572 3.387 -4.043 1.00 5.64 C ATOM 1821 O GLY B 42 3.674 2.638 -3.072 1.00 5.21 O ATOM 0 H GLY B 42 2.520 5.895 -5.312 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.924 4.637 -3.491 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.487 3.286 -4.518 1.00 6.22 H new ATOM 1825 N TRP B 43 4.594 3.655 -4.852 1.00 5.67 N ATOM 1826 CA TRP B 43 5.903 3.042 -4.641 1.00 5.17 C ATOM 1827 C TRP B 43 6.994 4.089 -4.449 1.00 5.12 C ATOM 1828 O TRP B 43 7.194 4.963 -5.294 1.00 5.51 O ATOM 1829 CB TRP B 43 6.265 2.141 -5.824 1.00 5.28 C ATOM 1830 CG TRP B 43 5.317 0.997 -6.020 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.124 1.027 -6.681 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.486 -0.346 -5.555 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.540 -0.216 -6.657 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.356 -1.076 -5.971 1.00 5.25 C ATOM 1835 CE3 TRP B 43 6.483 -1.004 -4.829 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.197 -2.429 -5.685 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 6.323 -2.347 -4.544 1.00 4.21 C ATOM 1838 CH2 TRP B 43 5.188 -3.047 -4.972 1.00 4.58 C ATOM 0 H TRP B 43 4.543 4.286 -5.652 1.00 5.67 H new ATOM 0 HA TRP B 43 5.838 2.446 -3.730 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.289 2.742 -6.733 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.270 1.747 -5.675 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.701 1.901 -7.154 1.00 5.83 H new ATOM 0 HE1 TRP B 43 2.645 -0.459 -7.081 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.363 -0.473 -4.497 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 3.323 -2.971 -6.014 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.086 -2.865 -3.982 1.00 4.21 H new ATOM 0 HH2 TRP B 43 5.093 -4.096 -4.734 1.00 4.58 H new ATOM 1849 N TRP B 44 7.694 3.989 -3.316 1.00 4.72 N ATOM 1850 CA TRP B 44 8.794 4.893 -2.988 1.00 4.75 C ATOM 1851 C TRP B 44 10.111 4.129 -3.053 1.00 4.41 C ATOM 1852 O TRP B 44 10.112 2.907 -3.201 1.00 3.96 O ATOM 1853 CB TRP B 44 8.616 5.463 -1.578 1.00 4.63 C ATOM 1854 CG TRP B 44 7.709 6.652 -1.495 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.888 7.142 -2.471 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.536 7.503 -0.357 1.00 5.06 C ATOM 1857 NE1 TRP B 44 6.217 8.249 -2.007 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.597 8.488 -0.711 1.00 5.57 C ATOM 1859 CE3 TRP B 44 8.085 7.524 0.928 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 6.196 9.486 0.175 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.686 8.513 1.806 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.750 9.483 1.427 1.00 5.40 C ATOM 0 H TRP B 44 7.513 3.281 -2.604 1.00 4.72 H new ATOM 0 HA TRP B 44 8.799 5.714 -3.705 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.225 4.679 -0.930 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.595 5.741 -1.187 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.782 6.722 -3.460 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.546 8.802 -2.540 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.808 6.780 1.229 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 5.474 10.235 -0.116 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 8.103 8.539 2.802 1.00 4.91 H new ATOM 0 HH2 TRP B 44 6.459 10.244 2.136 1.00 5.40 H new ATOM 1873 N LYS B 45 11.229 4.843 -2.939 1.00 4.69 N ATOM 1874 CA LYS B 45 12.540 4.204 -2.977 1.00 4.50 C ATOM 1875 C LYS B 45 13.358 4.567 -1.743 1.00 4.49 C ATOM 1876 O LYS B 45 13.477 5.738 -1.382 1.00 4.93 O ATOM 1877 CB LYS B 45 13.306 4.590 -4.244 1.00 4.91 C ATOM 1878 CG LYS B 45 14.576 3.777 -4.448 1.00 4.77 C ATOM 1879 CD LYS B 45 15.141 3.950 -5.849 1.00 5.23 C ATOM 1880 CE LYS B 45 16.441 3.178 -6.021 1.00 5.18 C ATOM 1881 NZ LYS B 45 16.948 3.243 -7.419 1.00 5.33 N ATOM 0 H LYS B 45 11.253 5.856 -2.821 1.00 4.69 H new ATOM 0 HA LYS B 45 12.379 3.126 -2.986 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.655 4.458 -5.108 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.563 5.648 -4.197 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.323 4.081 -3.715 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.365 2.723 -4.269 1.00 4.77 H new ATOM 0 HD2 LYS B 45 14.412 3.606 -6.582 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.315 5.008 -6.045 1.00 5.23 H new ATOM 0 HE2 LYS B 45 17.194 3.581 -5.343 1.00 5.18 H new ATOM 0 HE3 LYS B 45 16.284 2.136 -5.741 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 17.835 2.704 -7.492 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 16.241 2.836 -8.064 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 17.123 4.235 -7.679 1.00 5.33 H new ATOM 1895 N GLY B 46 13.916 3.544 -1.106 1.00 4.06 N ATOM 1896 CA GLY B 46 14.725 3.755 0.080 1.00 4.14 C ATOM 1897 C GLY B 46 15.952 2.870 0.087 1.00 4.03 C ATOM 1898 O GLY B 46 16.129 2.045 -0.811 1.00 3.73 O ATOM 0 H GLY B 46 13.822 2.569 -1.391 1.00 4.06 H new ATOM 0 HA2 GLY B 46 15.030 4.800 0.131 1.00 4.14 H new ATOM 0 HA3 GLY B 46 14.127 3.554 0.969 1.00 4.14 H new ATOM 1902 N GLU B 47 16.806 3.037 1.096 1.00 4.35 N ATOM 1903 CA GLU B 47 18.013 2.224 1.210 1.00 4.42 C ATOM 1904 C GLU B 47 18.056 1.534 2.566 1.00 4.29 C ATOM 1905 O GLU B 47 17.805 2.147 3.604 1.00 4.48 O ATOM 1906 CB GLU B 47 19.269 3.069 0.991 1.00 5.05 C ATOM 1907 CG GLU B 47 20.517 2.242 0.718 1.00 5.29 C ATOM 1908 CD GLU B 47 21.700 3.094 0.301 1.00 5.65 C ATOM 1909 OE1 GLU B 47 22.329 3.713 1.184 1.00 6.02 O ATOM 1910 OE2 GLU B 47 21.998 3.143 -0.913 1.00 5.74 O ATOM 0 H GLU B 47 16.685 3.723 1.841 1.00 4.35 H new ATOM 0 HA GLU B 47 17.987 1.461 0.432 1.00 4.42 H new ATOM 0 HB2 GLU B 47 19.101 3.746 0.153 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.439 3.688 1.872 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.778 1.678 1.613 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.303 1.515 -0.066 1.00 5.29 H new ATOM 1917 N LEU B 48 18.370 0.245 2.532 1.00 4.02 N ATOM 1918 CA LEU B 48 18.458 -0.577 3.731 1.00 3.99 C ATOM 1919 C LEU B 48 19.783 -1.334 3.742 1.00 4.21 C ATOM 1920 O LEU B 48 20.493 -1.332 2.747 1.00 4.01 O ATOM 1921 CB LEU B 48 17.274 -1.544 3.820 1.00 3.43 C ATOM 1922 CG LEU B 48 17.110 -2.281 5.153 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.814 -1.302 6.281 1.00 3.78 C ATOM 1924 CD2 LEU B 48 16.011 -3.327 5.043 1.00 2.98 C ATOM 0 H LEU B 48 18.571 -0.261 1.669 1.00 4.02 H new ATOM 0 HA LEU B 48 18.418 0.073 4.605 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.359 -0.987 3.620 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.375 -2.285 3.027 1.00 3.43 H new ATOM 0 HG LEU B 48 18.047 -2.786 5.386 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.702 -1.849 7.217 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.636 -0.592 6.372 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.892 -0.763 6.063 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.904 -3.844 5.997 1.00 2.98 H new ATOM 0 HD22 LEU B 48 15.070 -2.840 4.786 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.270 -4.047 4.267 1.00 2.98 H new ATOM 1936 N ASN B 49 20.080 -1.964 4.883 1.00 4.70 N ATOM 1937 CA ASN B 49 21.327 -2.714 5.123 1.00 5.05 C ATOM 1938 C ASN B 49 22.113 -3.102 3.853 1.00 5.24 C ATOM 1939 O ASN B 49 22.275 -4.284 3.545 1.00 5.39 O ATOM 1940 CB ASN B 49 20.985 -3.990 5.904 1.00 4.80 C ATOM 1941 CG ASN B 49 20.034 -4.908 5.149 1.00 4.86 C ATOM 1942 OD1 ASN B 49 19.284 -4.467 4.278 1.00 5.32 O ATOM 1943 ND2 ASN B 49 20.055 -6.192 5.490 1.00 4.62 N ATOM 0 H ASN B 49 19.450 -1.970 5.685 1.00 4.70 H new ATOM 0 HA ASN B 49 21.980 -2.043 5.680 1.00 5.05 H new ATOM 0 HB2 ASN B 49 21.904 -4.531 6.127 1.00 4.80 H new ATOM 0 HB3 ASN B 49 20.537 -3.716 6.859 1.00 4.80 H new ATOM 0 HD21 ASN B 49 19.434 -6.854 5.024 1.00 4.62 H new ATOM 0 HD22 ASN B 49 20.692 -6.516 6.217 1.00 4.62 H new ATOM 1950 N GLY B 50 22.590 -2.092 3.122 1.00 5.30 N ATOM 1951 CA GLY B 50 23.394 -2.331 1.929 1.00 5.53 C ATOM 1952 C GLY B 50 22.584 -2.602 0.667 1.00 5.10 C ATOM 1953 O GLY B 50 23.138 -2.584 -0.433 1.00 5.29 O ATOM 0 H GLY B 50 22.433 -1.107 3.336 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.033 -1.465 1.757 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.052 -3.180 2.113 1.00 5.53 H new ATOM 1957 N LYS B 51 21.281 -2.845 0.811 1.00 4.57 N ATOM 1958 CA LYS B 51 20.422 -3.124 -0.343 1.00 4.17 C ATOM 1959 C LYS B 51 19.357 -2.042 -0.509 1.00 3.96 C ATOM 1960 O LYS B 51 18.771 -1.583 0.467 1.00 3.78 O ATOM 1961 CB LYS B 51 19.741 -4.488 -0.184 1.00 3.78 C ATOM 1962 CG LYS B 51 20.622 -5.560 0.445 1.00 4.06 C ATOM 1963 CD LYS B 51 21.928 -5.750 -0.313 1.00 4.39 C ATOM 1964 CE LYS B 51 22.658 -7.009 0.133 1.00 4.78 C ATOM 1965 NZ LYS B 51 22.744 -7.110 1.618 1.00 5.33 N ATOM 0 H LYS B 51 20.798 -2.855 1.709 1.00 4.57 H new ATOM 0 HA LYS B 51 21.053 -3.134 -1.232 1.00 4.17 H new ATOM 0 HB2 LYS B 51 18.847 -4.365 0.427 1.00 3.78 H new ATOM 0 HB3 LYS B 51 19.413 -4.833 -1.164 1.00 3.78 H new ATOM 0 HG2 LYS B 51 20.840 -5.289 1.478 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.079 -6.505 0.471 1.00 4.06 H new ATOM 0 HD2 LYS B 51 21.724 -5.807 -1.382 1.00 4.39 H new ATOM 0 HD3 LYS B 51 22.569 -4.883 -0.157 1.00 4.39 H new ATOM 0 HE2 LYS B 51 22.143 -7.885 -0.260 1.00 4.78 H new ATOM 0 HE3 LYS B 51 23.663 -7.014 -0.289 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 23.440 -7.838 1.877 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 23.039 -6.194 2.012 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 21.813 -7.368 2.003 1.00 5.33 H new ATOM 1979 N GLU B 52 19.109 -1.651 -1.759 1.00 4.08 N ATOM 1980 CA GLU B 52 18.109 -0.628 -2.078 1.00 4.05 C ATOM 1981 C GLU B 52 16.933 -1.246 -2.832 1.00 3.71 C ATOM 1982 O GLU B 52 17.109 -2.184 -3.611 1.00 3.93 O ATOM 1983 CB GLU B 52 18.734 0.501 -2.909 1.00 4.59 C ATOM 1984 CG GLU B 52 19.229 0.065 -4.284 1.00 4.83 C ATOM 1985 CD GLU B 52 20.297 -1.011 -4.215 1.00 5.32 C ATOM 1986 OE1 GLU B 52 21.418 -0.707 -3.757 1.00 5.49 O ATOM 1987 OE2 GLU B 52 20.010 -2.160 -4.616 1.00 5.79 O ATOM 0 H GLU B 52 19.591 -2.030 -2.574 1.00 4.08 H new ATOM 0 HA GLU B 52 17.743 -0.208 -1.141 1.00 4.05 H new ATOM 0 HB2 GLU B 52 17.997 1.295 -3.035 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.569 0.927 -2.353 1.00 4.59 H new ATOM 0 HG2 GLU B 52 18.386 -0.304 -4.867 1.00 4.83 H new ATOM 0 HG3 GLU B 52 19.627 0.931 -4.812 1.00 4.83 H new ATOM 1994 N GLY B 53 15.730 -0.714 -2.593 1.00 3.32 N ATOM 1995 CA GLY B 53 14.548 -1.218 -3.273 1.00 3.12 C ATOM 1996 C GLY B 53 13.298 -0.409 -2.970 1.00 3.18 C ATOM 1997 O GLY B 53 13.362 0.609 -2.277 1.00 3.35 O ATOM 0 H GLY B 53 15.557 0.053 -1.943 1.00 3.32 H new ATOM 0 HA2 GLY B 53 14.725 -1.214 -4.349 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.382 -2.255 -2.981 1.00 3.12 H new ATOM 2001 N VAL B 54 12.156 -0.864 -3.497 1.00 3.17 N ATOM 2002 CA VAL B 54 10.886 -0.164 -3.294 1.00 3.38 C ATOM 2003 C VAL B 54 9.899 -0.974 -2.452 1.00 3.02 C ATOM 2004 O VAL B 54 10.030 -2.191 -2.318 1.00 2.70 O ATOM 2005 CB VAL B 54 10.226 0.181 -4.645 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.145 1.064 -5.479 1.00 4.30 C ATOM 2007 CG2 VAL B 54 9.861 -1.089 -5.405 1.00 3.70 C ATOM 0 H VAL B 54 12.086 -1.709 -4.064 1.00 3.17 H new ATOM 0 HA VAL B 54 11.126 0.751 -2.753 1.00 3.38 H new ATOM 0 HB VAL B 54 9.308 0.734 -4.447 1.00 3.83 H new ATOM 0 HG11 VAL B 54 10.663 1.297 -6.428 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.349 1.989 -4.939 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.082 0.539 -5.667 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.397 -0.824 -6.355 1.00 3.70 H new ATOM 0 HG22 VAL B 54 10.762 -1.673 -5.592 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.163 -1.680 -4.812 1.00 3.70 H new ATOM 2017 N PHE B 55 8.907 -0.270 -1.886 1.00 3.13 N ATOM 2018 CA PHE B 55 7.871 -0.911 -1.071 1.00 2.90 C ATOM 2019 C PHE B 55 6.472 -0.573 -1.597 1.00 3.35 C ATOM 2020 O PHE B 55 6.248 0.513 -2.135 1.00 3.72 O ATOM 2021 CB PHE B 55 8.010 -0.506 0.398 1.00 2.46 C ATOM 2022 CG PHE B 55 8.375 0.938 0.615 1.00 2.71 C ATOM 2023 CD1 PHE B 55 7.398 1.919 0.650 1.00 2.88 C ATOM 2024 CD2 PHE B 55 9.700 1.309 0.799 1.00 3.05 C ATOM 2025 CE1 PHE B 55 7.735 3.243 0.863 1.00 3.20 C ATOM 2026 CE2 PHE B 55 10.041 2.631 1.014 1.00 3.42 C ATOM 2027 CZ PHE B 55 9.057 3.598 1.046 1.00 3.42 C ATOM 0 H PHE B 55 8.803 0.740 -1.979 1.00 3.13 H new ATOM 0 HA PHE B 55 8.006 -1.990 -1.142 1.00 2.90 H new ATOM 0 HB2 PHE B 55 7.069 -0.711 0.909 1.00 2.46 H new ATOM 0 HB3 PHE B 55 8.769 -1.134 0.865 1.00 2.46 H new ATOM 0 HD1 PHE B 55 6.362 1.647 0.509 1.00 2.88 H new ATOM 0 HD2 PHE B 55 10.473 0.556 0.774 1.00 3.05 H new ATOM 0 HE1 PHE B 55 6.964 3.999 0.886 1.00 3.20 H new ATOM 0 HE2 PHE B 55 11.075 2.907 1.157 1.00 3.42 H new ATOM 0 HZ PHE B 55 9.321 4.632 1.214 1.00 3.42 H new ATOM 2037 N PRO B 56 5.511 -1.508 -1.437 1.00 3.43 N ATOM 2038 CA PRO B 56 4.139 -1.341 -1.938 1.00 3.90 C ATOM 2039 C PRO B 56 3.231 -0.459 -1.080 1.00 3.87 C ATOM 2040 O PRO B 56 3.021 -0.716 0.101 1.00 3.45 O ATOM 2041 CB PRO B 56 3.609 -2.772 -1.946 1.00 3.97 C ATOM 2042 CG PRO B 56 4.334 -3.450 -0.837 1.00 3.68 C ATOM 2043 CD PRO B 56 5.696 -2.809 -0.766 1.00 3.17 C ATOM 0 HA PRO B 56 4.147 -0.831 -2.901 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.531 -2.796 -1.787 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.801 -3.260 -2.901 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.800 -3.332 0.106 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.418 -4.520 -1.025 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.025 -2.683 0.265 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.449 -3.415 -1.270 1.00 3.17 H new ATOM 2051 N ASP B 57 2.693 0.574 -1.712 1.00 4.36 N ATOM 2052 CA ASP B 57 1.760 1.514 -1.086 1.00 4.47 C ATOM 2053 C ASP B 57 2.256 2.122 0.231 1.00 4.41 C ATOM 2054 O ASP B 57 1.493 2.215 1.193 1.00 4.40 O ATOM 2055 CB ASP B 57 0.329 0.978 -1.005 1.00 5.09 C ATOM 2056 CG ASP B 57 0.252 -0.379 -0.329 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.237 -0.421 0.919 1.00 5.85 O ATOM 2058 OD2 ASP B 57 0.215 -1.400 -1.049 1.00 5.83 O ATOM 0 H ASP B 57 2.892 0.790 -2.689 1.00 4.36 H new ATOM 0 HA ASP B 57 1.724 2.359 -1.774 1.00 4.47 H new ATOM 0 HB2 ASP B 57 -0.291 1.688 -0.458 1.00 5.09 H new ATOM 0 HB3 ASP B 57 -0.085 0.903 -2.011 1.00 5.09 H new ATOM 2063 N ASN B 58 3.508 2.526 0.282 1.00 4.46 N ATOM 2064 CA ASN B 58 4.089 3.157 1.466 1.00 4.51 C ATOM 2065 C ASN B 58 4.078 2.285 2.727 1.00 3.97 C ATOM 2066 O ASN B 58 3.095 2.257 3.468 1.00 4.05 O ATOM 2067 CB ASN B 58 3.376 4.482 1.762 1.00 4.96 C ATOM 2068 CG ASN B 58 3.601 5.536 0.689 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.627 5.116 -0.571 1.00 5.40 O flip ATOM 2070 ND2 ASN B 58 3.737 6.721 0.993 1.00 5.67 N flip ATOM 0 H ASN B 58 4.161 2.429 -0.496 1.00 4.46 H new ATOM 0 HA ASN B 58 5.138 3.321 1.218 1.00 4.51 H new ATOM 0 HB2 ASN B 58 2.306 4.297 1.862 1.00 4.96 H new ATOM 0 HB3 ASN B 58 3.724 4.868 2.720 1.00 4.96 H new ATOM 0 HD21 ASN B 58 3.711 7.002 1.973 1.00 5.67 H new ATOM 0 HD22 ASN B 58 3.876 7.422 0.265 1.00 5.67 H new ATOM 2077 N PHE B 59 5.179 1.570 2.952 1.00 3.50 N ATOM 2078 CA PHE B 59 5.343 0.756 4.158 1.00 3.01 C ATOM 2079 C PHE B 59 6.275 1.486 5.119 1.00 2.75 C ATOM 2080 O PHE B 59 6.744 0.908 6.101 1.00 2.44 O ATOM 2081 CB PHE B 59 5.918 -0.621 3.813 1.00 2.72 C ATOM 2082 CG PHE B 59 4.874 -1.689 3.660 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.918 -1.596 2.666 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.850 -2.786 4.507 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.955 -2.575 2.514 1.00 3.79 C ATOM 2086 CE2 PHE B 59 3.889 -3.769 4.362 1.00 3.86 C ATOM 2087 CZ PHE B 59 2.941 -3.663 3.364 1.00 3.89 C ATOM 0 H PHE B 59 5.974 1.537 2.314 1.00 3.50 H new ATOM 0 HA PHE B 59 4.369 0.605 4.624 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.487 -0.546 2.886 1.00 2.72 H new ATOM 0 HB3 PHE B 59 6.618 -0.919 4.594 1.00 2.72 H new ATOM 0 HD1 PHE B 59 3.924 -0.747 1.999 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.590 -2.874 5.289 1.00 3.42 H new ATOM 0 HE1 PHE B 59 2.215 -2.489 1.732 1.00 3.79 H new ATOM 0 HE2 PHE B 59 3.880 -4.619 5.029 1.00 3.86 H new ATOM 0 HZ PHE B 59 2.190 -4.430 3.248 1.00 3.89 H new ATOM 2097 N ALA B 60 6.534 2.762 4.841 1.00 3.02 N ATOM 2098 CA ALA B 60 7.413 3.564 5.682 1.00 3.01 C ATOM 2099 C ALA B 60 6.926 5.006 5.790 1.00 3.51 C ATOM 2100 O ALA B 60 6.491 5.595 4.799 1.00 3.89 O ATOM 2101 CB ALA B 60 8.830 3.533 5.126 1.00 2.92 C ATOM 0 H ALA B 60 6.147 3.260 4.040 1.00 3.02 H new ATOM 0 HA ALA B 60 7.403 3.134 6.684 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.482 4.134 5.759 1.00 2.92 H new ATOM 0 HB2 ALA B 60 9.191 2.505 5.106 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.833 3.938 4.114 1.00 2.92 H new ATOM 2107 N VAL B 61 7.000 5.569 6.993 1.00 3.59 N ATOM 2108 CA VAL B 61 6.545 6.937 7.228 1.00 4.08 C ATOM 2109 C VAL B 61 7.709 7.878 7.534 1.00 4.32 C ATOM 2110 O VAL B 61 8.516 7.606 8.422 1.00 4.19 O ATOM 2111 CB VAL B 61 5.521 6.993 8.385 1.00 4.13 C ATOM 2112 CG1 VAL B 61 6.101 6.391 9.660 1.00 3.91 C ATOM 2113 CG2 VAL B 61 5.057 8.423 8.625 1.00 4.64 C ATOM 0 H VAL B 61 7.370 5.100 7.820 1.00 3.59 H new ATOM 0 HA VAL B 61 6.065 7.269 6.308 1.00 4.08 H new ATOM 0 HB VAL B 61 4.655 6.397 8.097 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.360 6.444 10.457 1.00 3.91 H new ATOM 0 HG12 VAL B 61 6.369 5.350 9.482 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.990 6.949 9.954 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.337 8.439 9.443 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.914 9.045 8.883 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.587 8.810 7.721 1.00 4.64 H new ATOM 2123 N GLN B 62 7.796 8.988 6.788 1.00 4.79 N ATOM 2124 CA GLN B 62 8.858 9.967 7.003 1.00 5.14 C ATOM 2125 C GLN B 62 8.794 10.508 8.428 1.00 5.36 C ATOM 2126 O GLN B 62 7.710 10.747 8.961 1.00 5.56 O ATOM 2127 CB GLN B 62 8.738 11.115 5.996 1.00 5.63 C ATOM 2128 CG GLN B 62 9.883 12.115 6.065 1.00 6.02 C ATOM 2129 CD GLN B 62 9.738 13.242 5.059 1.00 6.30 C ATOM 2130 OE1 GLN B 62 9.156 13.064 3.989 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.269 14.412 5.398 1.00 6.72 N ATOM 0 H GLN B 62 7.147 9.225 6.037 1.00 4.79 H new ATOM 0 HA GLN B 62 9.820 9.475 6.856 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.691 10.699 4.989 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.798 11.640 6.168 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.933 12.535 7.070 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.825 11.595 5.889 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.743 14.516 6.295 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.203 15.206 4.761 1.00 6.72 H new ATOM 2140 N ILE B 63 9.961 10.703 9.034 1.00 5.39 N ATOM 2141 CA ILE B 63 10.040 11.219 10.396 1.00 5.68 C ATOM 2142 C ILE B 63 10.396 12.701 10.391 1.00 6.23 C ATOM 2143 O ILE B 63 9.630 13.534 10.877 1.00 6.54 O ATOM 2144 CB ILE B 63 11.081 10.445 11.235 1.00 5.55 C ATOM 2145 CG1 ILE B 63 10.787 8.941 11.191 1.00 5.23 C ATOM 2146 CG2 ILE B 63 11.081 10.950 12.673 1.00 5.71 C ATOM 2147 CD1 ILE B 63 11.797 8.097 11.941 1.00 5.25 C ATOM 0 H ILE B 63 10.865 10.511 8.603 1.00 5.39 H new ATOM 0 HA ILE B 63 9.058 11.084 10.849 1.00 5.68 H new ATOM 0 HB ILE B 63 12.070 10.615 10.810 1.00 5.55 H new ATOM 0 HG12 ILE B 63 9.796 8.762 11.609 1.00 5.23 H new ATOM 0 HG13 ILE B 63 10.758 8.617 10.151 1.00 5.23 H new ATOM 0 HG21 ILE B 63 11.819 10.396 13.253 1.00 5.71 H new ATOM 0 HG22 ILE B 63 11.331 12.011 12.686 1.00 5.71 H new ATOM 0 HG23 ILE B 63 10.093 10.805 13.110 1.00 5.71 H new ATOM 0 HD11 ILE B 63 11.521 7.045 11.864 1.00 5.25 H new ATOM 0 HD12 ILE B 63 12.787 8.245 11.509 1.00 5.25 H new ATOM 0 HD13 ILE B 63 11.811 8.393 12.990 1.00 5.25 H new ATOM 2159 N SER B 64 11.563 13.024 9.837 1.00 6.41 N ATOM 2160 CA SER B 64 12.021 14.407 9.762 1.00 6.97 C ATOM 2161 C SER B 64 13.082 14.568 8.674 1.00 7.20 C ATOM 2162 O SER B 64 12.719 14.986 7.554 1.00 7.43 O ATOM 2163 CB SER B 64 12.573 14.859 11.118 1.00 7.23 C ATOM 2164 OG SER B 64 13.049 16.191 11.058 1.00 7.19 O ATOM 2165 OXT SER B 64 14.266 14.270 8.946 1.00 7.37 O ATOM 0 H SER B 64 12.208 12.345 9.433 1.00 6.41 H new ATOM 0 HA SER B 64 11.170 15.037 9.504 1.00 6.97 H new ATOM 0 HB2 SER B 64 11.793 14.783 11.875 1.00 7.23 H new ATOM 0 HB3 SER B 64 13.381 14.195 11.425 1.00 7.23 H new ATOM 0 HG SER B 64 13.394 16.455 11.936 1.00 7.19 H new