USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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 43 LYS NZ :NH3+ 171:sc= -1.61 (180deg=-2.7) USER MOD Set 1.2: A 87 TYR OH : rot -53:sc= 0.0853 USER MOD Set 2.1: A 63 TYR OH : rot 65:sc= 0.0268 USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0.349 USER MOD Single : A 1 ASP N :NH3+ 154:sc= 2.17 (180deg=1.3) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.18) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -0.0949 (180deg=-0.459) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.07) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 111:sc= 0.276 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.0542 (180deg=-1.06) USER MOD Single : A 55 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 56 HIS : no HD1:sc= -0.635 X(o=-0.63,f=-0.88) USER MOD Single : A 58 GLN : amide:sc= -0.227! C(o=-0.23!,f=-3.5!) USER MOD Single : A 60 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-1.3) USER MOD Single : A 62 SER OG : rot 152:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.05 (180deg=0.975) USER MOD Single : A 75 HIS : no HD1:sc= 0.0212 X(o=0.021,f=-0.29) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.933 K(o=0.93,f=-0.073) USER MOD Single : A 84 THR OG1 : rot 140:sc= -2.54! USER MOD Single : A 89 CYS SG : rot 103:sc= 2.59 USER MOD Single : A 92 SER OG : rot -62:sc= 0.314 USER MOD Single : A 93 THR OG1 : rot -44:sc= -1.92 USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -5.75! (180deg=-6.76!) USER MOD Single : A 96 LYS NZ :NH3+ -138:sc= 1.36 (180deg=-1.03) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 26:sc= -2.51! USER MOD Single : A 101 ASN : amide:sc= -0.0194 K(o=-0.019,f=-0.58) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= 0.888 K(o=2.2,f=-8.5!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.417 -11.635 0.411 1.00 0.92 N ATOM 2 CA ASP A 1 -17.974 -10.373 -0.245 1.00 0.81 C ATOM 3 C ASP A 1 -19.035 -9.864 -1.202 1.00 0.80 C ATOM 4 O ASP A 1 -19.288 -10.438 -2.264 1.00 0.99 O ATOM 5 CB ASP A 1 -16.667 -10.556 -1.007 1.00 0.90 C ATOM 6 CG ASP A 1 -15.551 -11.084 -0.141 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.782 -12.063 0.596 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.443 -10.517 -0.194 1.00 1.93 O ATOM 0 H1 ASP A 1 -17.584 -12.190 0.693 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.984 -11.408 1.253 1.00 0.92 H new ATOM 0 H3 ASP A 1 -18.993 -12.189 -0.255 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.814 -9.645 0.551 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -16.830 -11.242 -1.838 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.366 -9.600 -1.436 1.00 0.90 H new ATOM 13 N ASP A 2 -19.632 -8.768 -0.819 1.00 0.70 N ATOM 14 CA ASP A 2 -20.674 -8.122 -1.595 1.00 0.72 C ATOM 15 C ASP A 2 -20.052 -7.404 -2.813 1.00 0.70 C ATOM 16 O ASP A 2 -18.853 -7.152 -2.811 1.00 0.75 O ATOM 17 CB ASP A 2 -21.357 -7.171 -0.622 1.00 0.79 C ATOM 18 CG ASP A 2 -22.392 -6.244 -1.231 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.529 -6.701 -1.469 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.079 -5.056 -1.429 1.00 1.65 O ATOM 0 H ASP A 2 -19.410 -8.286 0.052 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.401 -8.819 -2.012 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -21.838 -7.761 0.158 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.592 -6.564 -0.137 1.00 0.79 H new ATOM 25 N PRO A 3 -20.815 -7.127 -3.894 1.00 0.71 N ATOM 26 CA PRO A 3 -20.291 -6.421 -5.083 1.00 0.72 C ATOM 27 C PRO A 3 -19.777 -5.008 -4.794 1.00 0.66 C ATOM 28 O PRO A 3 -20.438 -4.006 -5.084 1.00 0.97 O ATOM 29 CB PRO A 3 -21.480 -6.371 -6.043 1.00 0.84 C ATOM 30 CG PRO A 3 -22.680 -6.616 -5.193 1.00 0.94 C ATOM 31 CD PRO A 3 -22.220 -7.513 -4.077 1.00 0.81 C ATOM 0 HA PRO A 3 -19.421 -6.943 -5.482 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.542 -5.404 -6.543 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.389 -7.127 -6.823 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.079 -5.680 -4.802 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.477 -7.087 -5.769 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.802 -7.357 -3.169 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.317 -8.566 -4.341 1.00 0.81 H new ATOM 39 N ILE A 4 -18.588 -4.958 -4.221 1.00 0.45 N ATOM 40 CA ILE A 4 -17.873 -3.716 -3.966 1.00 0.41 C ATOM 41 C ILE A 4 -16.835 -3.500 -5.041 1.00 0.41 C ATOM 42 O ILE A 4 -16.843 -2.496 -5.749 1.00 0.50 O ATOM 43 CB ILE A 4 -17.144 -3.768 -2.598 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.099 -3.458 -1.453 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.963 -2.805 -2.536 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.150 -4.502 -1.249 1.00 0.46 C ATOM 0 H ILE A 4 -18.083 -5.790 -3.915 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.600 -2.904 -3.960 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.766 -4.785 -2.493 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.525 -3.347 -0.533 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.583 -2.500 -1.644 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.485 -2.878 -1.559 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.243 -3.062 -3.313 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.316 -1.786 -2.692 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.793 -4.213 -0.417 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.749 -4.597 -2.155 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.675 -5.458 -1.026 1.00 0.46 H new ATOM 58 N GLY A 5 -15.916 -4.447 -5.117 1.00 0.36 N ATOM 59 CA GLY A 5 -14.816 -4.322 -6.041 1.00 0.39 C ATOM 60 C GLY A 5 -13.728 -3.552 -5.373 1.00 0.33 C ATOM 61 O GLY A 5 -13.122 -2.655 -5.948 1.00 0.33 O ATOM 0 H GLY A 5 -15.913 -5.298 -4.555 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.456 -5.307 -6.339 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.139 -3.813 -6.949 1.00 0.39 H new ATOM 65 N LEU A 6 -13.524 -3.937 -4.126 1.00 0.32 N ATOM 66 CA LEU A 6 -12.667 -3.249 -3.188 1.00 0.29 C ATOM 67 C LEU A 6 -11.304 -2.978 -3.794 1.00 0.29 C ATOM 68 O LEU A 6 -10.765 -1.878 -3.675 1.00 0.33 O ATOM 69 CB LEU A 6 -12.555 -4.137 -1.957 1.00 0.29 C ATOM 70 CG LEU A 6 -12.270 -3.439 -0.639 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.213 -2.265 -0.417 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.396 -4.443 0.479 1.00 0.28 C ATOM 0 H LEU A 6 -13.967 -4.766 -3.729 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.085 -2.278 -2.923 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.486 -4.694 -1.853 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.765 -4.867 -2.134 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.257 -3.036 -0.661 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -12.982 -1.788 0.535 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.091 -1.543 -1.224 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.242 -2.623 -0.403 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.194 -3.954 1.432 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.406 -4.852 0.489 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.679 -5.250 0.326 1.00 0.28 H new ATOM 84 N PHE A 7 -10.771 -3.975 -4.464 1.00 0.30 N ATOM 85 CA PHE A 7 -9.520 -3.829 -5.155 1.00 0.32 C ATOM 86 C PHE A 7 -9.754 -3.326 -6.566 1.00 0.29 C ATOM 87 O PHE A 7 -9.870 -4.101 -7.516 1.00 0.32 O ATOM 88 CB PHE A 7 -8.772 -5.147 -5.163 1.00 0.41 C ATOM 89 CG PHE A 7 -7.460 -5.093 -4.439 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.186 -4.076 -3.534 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.498 -6.058 -4.666 1.00 0.64 C ATOM 92 CE1 PHE A 7 -5.975 -4.025 -2.875 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.289 -6.013 -4.009 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.025 -4.997 -3.116 1.00 0.61 C ATOM 0 H PHE A 7 -11.192 -4.901 -4.542 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.909 -3.094 -4.632 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.398 -5.914 -4.708 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.596 -5.450 -6.195 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -7.930 -3.316 -3.344 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.696 -6.856 -5.366 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.771 -3.229 -2.174 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.546 -6.775 -4.194 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.074 -4.961 -2.605 1.00 0.61 H new ATOM 104 N VAL A 8 -9.864 -2.017 -6.667 1.00 0.28 N ATOM 105 CA VAL A 8 -10.019 -1.344 -7.947 1.00 0.34 C ATOM 106 C VAL A 8 -8.704 -1.411 -8.709 1.00 0.44 C ATOM 107 O VAL A 8 -8.669 -1.632 -9.921 1.00 0.63 O ATOM 108 CB VAL A 8 -10.428 0.130 -7.741 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.809 0.785 -9.062 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.572 0.220 -6.744 1.00 0.33 C ATOM 0 H VAL A 8 -9.849 -1.387 -5.865 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.804 -1.842 -8.517 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.571 0.671 -7.340 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.092 1.823 -8.885 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.959 0.752 -9.743 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.649 0.250 -9.505 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.853 1.264 -6.606 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.428 -0.339 -7.121 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.256 -0.200 -5.789 1.00 0.33 H new ATOM 120 N MET A 9 -7.628 -1.215 -7.968 1.00 0.43 N ATOM 121 CA MET A 9 -6.280 -1.415 -8.468 1.00 0.65 C ATOM 122 C MET A 9 -5.389 -1.810 -7.312 1.00 0.44 C ATOM 123 O MET A 9 -5.476 -1.234 -6.229 1.00 0.44 O ATOM 124 CB MET A 9 -5.721 -0.157 -9.123 1.00 1.05 C ATOM 125 CG MET A 9 -4.291 -0.318 -9.625 1.00 1.45 C ATOM 126 SD MET A 9 -3.537 1.251 -10.078 1.00 2.35 S ATOM 127 CE MET A 9 -1.842 0.741 -10.341 1.00 2.88 C ATOM 0 H MET A 9 -7.666 -0.910 -6.995 1.00 0.43 H new ATOM 0 HA MET A 9 -6.310 -2.198 -9.226 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.362 0.123 -9.959 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.756 0.663 -8.406 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.690 -0.796 -8.852 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.286 -0.982 -10.489 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.243 1.605 -10.629 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.444 0.314 -9.421 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.806 -0.007 -11.133 1.00 2.88 H new ATOM 137 N ARG A 10 -4.535 -2.777 -7.543 1.00 0.47 N ATOM 138 CA ARG A 10 -3.649 -3.264 -6.510 1.00 0.41 C ATOM 139 C ARG A 10 -2.252 -2.708 -6.713 1.00 0.39 C ATOM 140 O ARG A 10 -1.785 -2.603 -7.842 1.00 0.45 O ATOM 141 CB ARG A 10 -3.639 -4.793 -6.498 1.00 0.46 C ATOM 142 CG ARG A 10 -3.339 -5.435 -7.843 1.00 0.97 C ATOM 143 CD ARG A 10 -3.576 -6.940 -7.802 1.00 1.34 C ATOM 144 NE ARG A 10 -5.000 -7.284 -7.698 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.510 -8.473 -8.041 1.00 2.72 C ATOM 146 NH1 ARG A 10 -4.715 -9.438 -8.491 1.00 2.74 N ATOM 147 NH2 ARG A 10 -6.808 -8.712 -7.917 1.00 3.67 N ATOM 0 H ARG A 10 -4.433 -3.246 -8.443 1.00 0.47 H new ATOM 0 HA ARG A 10 -4.011 -2.922 -5.541 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.898 -5.133 -5.775 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.609 -5.147 -6.150 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.968 -4.986 -8.611 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.304 -5.235 -8.122 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.161 -7.394 -8.702 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.040 -7.366 -6.954 1.00 1.34 H new ATOM 0 HE ARG A 10 -5.640 -6.573 -7.343 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.712 -9.274 -8.576 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -5.108 -10.343 -8.751 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -7.428 -7.986 -7.557 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.187 -9.622 -8.181 1.00 3.67 H new ATOM 161 N PRO A 11 -1.590 -2.318 -5.619 1.00 0.43 N ATOM 162 CA PRO A 11 -0.237 -1.768 -5.668 1.00 0.50 C ATOM 163 C PRO A 11 0.807 -2.822 -6.043 1.00 0.47 C ATOM 164 O PRO A 11 0.610 -4.019 -5.821 1.00 0.54 O ATOM 165 CB PRO A 11 0.005 -1.219 -4.263 1.00 0.62 C ATOM 166 CG PRO A 11 -1.034 -1.822 -3.387 1.00 0.64 C ATOM 167 CD PRO A 11 -2.126 -2.381 -4.255 1.00 0.53 C ATOM 0 HA PRO A 11 -0.144 -1.001 -6.437 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.004 -1.477 -3.913 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.065 -0.131 -4.255 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.599 -2.609 -2.771 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.438 -1.072 -2.707 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.370 -3.405 -3.973 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -3.042 -1.798 -4.163 1.00 0.53 H new ATOM 175 N GLN A 12 1.912 -2.361 -6.621 1.00 0.44 N ATOM 176 CA GLN A 12 2.890 -3.229 -7.265 1.00 0.43 C ATOM 177 C GLN A 12 4.221 -3.265 -6.541 1.00 0.37 C ATOM 178 O GLN A 12 4.440 -2.505 -5.613 1.00 0.40 O ATOM 179 CB GLN A 12 3.107 -2.731 -8.676 1.00 0.55 C ATOM 180 CG GLN A 12 2.303 -3.495 -9.695 1.00 0.73 C ATOM 181 CD GLN A 12 0.804 -3.434 -9.467 1.00 1.06 C ATOM 182 OE1 GLN A 12 0.122 -2.602 -10.056 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.281 -4.264 -8.564 1.00 1.32 N ATOM 0 H GLN A 12 2.154 -1.371 -6.656 1.00 0.44 H new ATOM 0 HA GLN A 12 2.495 -4.245 -7.250 1.00 0.43 H new ATOM 0 HB2 GLN A 12 2.842 -1.675 -8.728 1.00 0.55 H new ATOM 0 HB3 GLN A 12 4.166 -2.807 -8.924 1.00 0.55 H new ATOM 0 HG2 GLN A 12 2.526 -3.103 -10.687 1.00 0.73 H new ATOM 0 HG3 GLN A 12 2.620 -4.538 -9.686 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.876 -4.945 -8.092 1.00 1.32 H new ATOM 0 HE22 GLN A 12 -0.714 -4.218 -8.345 1.00 1.32 H new ATOM 192 N ASP A 13 5.097 -4.181 -6.962 1.00 0.34 N ATOM 193 CA ASP A 13 6.409 -4.303 -6.470 1.00 0.33 C ATOM 194 C ASP A 13 7.261 -3.133 -6.918 1.00 0.36 C ATOM 195 O ASP A 13 6.797 -2.006 -7.112 1.00 0.50 O ATOM 196 CB ASP A 13 6.994 -5.597 -7.050 1.00 0.35 C ATOM 197 CG ASP A 13 6.062 -6.789 -6.943 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.026 -6.801 -7.641 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.378 -7.726 -6.181 1.00 2.06 O ATOM 0 H ASP A 13 4.872 -4.868 -7.682 1.00 0.34 H new ATOM 0 HA ASP A 13 6.397 -4.319 -5.380 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.243 -5.435 -8.099 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.926 -5.828 -6.533 1.00 0.35 H new ATOM 204 N GLY A 14 8.509 -3.442 -7.113 1.00 0.30 N ATOM 205 CA GLY A 14 9.465 -2.485 -7.587 1.00 0.30 C ATOM 206 C GLY A 14 10.862 -2.813 -7.149 1.00 0.25 C ATOM 207 O GLY A 14 11.123 -3.124 -5.988 1.00 0.28 O ATOM 0 H GLY A 14 8.895 -4.371 -6.947 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.427 -2.445 -8.676 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.195 -1.494 -7.223 1.00 0.30 H new ATOM 211 N GLU A 15 11.750 -2.739 -8.096 1.00 0.26 N ATOM 212 CA GLU A 15 13.162 -2.953 -7.858 1.00 0.25 C ATOM 213 C GLU A 15 13.879 -1.639 -8.020 1.00 0.23 C ATOM 214 O GLU A 15 13.849 -1.033 -9.092 1.00 0.30 O ATOM 215 CB GLU A 15 13.746 -3.992 -8.809 1.00 0.33 C ATOM 216 CG GLU A 15 13.249 -5.401 -8.565 1.00 0.69 C ATOM 217 CD GLU A 15 14.211 -6.425 -9.111 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.355 -6.506 -8.616 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.811 -7.174 -10.027 1.00 1.53 O ATOM 0 H GLU A 15 11.521 -2.527 -9.067 1.00 0.26 H new ATOM 0 HA GLU A 15 13.293 -3.336 -6.846 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.507 -3.706 -9.833 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.832 -3.981 -8.720 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.114 -5.561 -7.495 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.273 -5.530 -9.033 1.00 0.69 H new ATOM 226 N VAL A 16 14.513 -1.192 -6.958 1.00 0.20 N ATOM 227 CA VAL A 16 15.047 0.095 -6.895 1.00 0.21 C ATOM 228 C VAL A 16 16.398 -0.020 -6.249 1.00 0.22 C ATOM 229 O VAL A 16 16.719 -1.023 -5.619 1.00 0.27 O ATOM 230 CB VAL A 16 14.139 1.024 -6.067 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.679 0.848 -6.453 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.329 0.828 -4.561 1.00 0.23 C ATOM 0 H VAL A 16 14.659 -1.745 -6.114 1.00 0.20 H new ATOM 0 HA VAL A 16 15.126 0.524 -7.894 1.00 0.21 H new ATOM 0 HB VAL A 16 14.437 2.046 -6.300 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.061 1.516 -5.853 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.551 1.086 -7.509 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.377 -0.184 -6.274 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.668 1.505 -4.020 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.091 -0.202 -4.295 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.364 1.041 -4.294 1.00 0.23 H new ATOM 242 N THR A 17 17.172 0.980 -6.429 1.00 0.23 N ATOM 243 CA THR A 17 18.476 1.060 -5.823 1.00 0.27 C ATOM 244 C THR A 17 18.363 1.877 -4.548 1.00 0.28 C ATOM 245 O THR A 17 17.443 2.690 -4.414 1.00 0.28 O ATOM 246 CB THR A 17 19.477 1.750 -6.760 1.00 0.35 C ATOM 247 OG1 THR A 17 19.007 1.662 -8.110 1.00 0.77 O ATOM 248 CG2 THR A 17 20.855 1.113 -6.665 1.00 0.56 C ATOM 0 H THR A 17 16.930 1.785 -7.006 1.00 0.23 H new ATOM 0 HA THR A 17 18.831 0.051 -5.615 1.00 0.27 H new ATOM 0 HB THR A 17 19.560 2.794 -6.457 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.645 2.104 -8.708 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.540 1.625 -7.341 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.224 1.196 -5.643 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.790 0.061 -6.943 1.00 0.56 H new ATOM 256 N VAL A 18 19.270 1.661 -3.618 1.00 0.31 N ATOM 257 CA VAL A 18 19.324 2.480 -2.438 1.00 0.35 C ATOM 258 C VAL A 18 19.734 3.858 -2.854 1.00 0.36 C ATOM 259 O VAL A 18 20.882 4.127 -3.215 1.00 0.39 O ATOM 260 CB VAL A 18 20.338 2.027 -1.394 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.083 2.733 -0.072 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.354 0.520 -1.217 1.00 0.78 C ATOM 0 H VAL A 18 19.976 0.926 -3.661 1.00 0.31 H new ATOM 0 HA VAL A 18 18.335 2.421 -1.984 1.00 0.35 H new ATOM 0 HB VAL A 18 21.327 2.306 -1.757 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.814 2.401 0.665 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.173 3.810 -0.212 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.079 2.495 0.280 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.093 0.250 -0.463 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.369 0.181 -0.897 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.612 0.045 -2.164 1.00 0.78 H new ATOM 272 N GLY A 19 18.771 4.690 -2.831 1.00 0.38 N ATOM 273 CA GLY A 19 18.983 6.089 -3.111 1.00 0.45 C ATOM 274 C GLY A 19 17.931 6.685 -4.018 1.00 0.40 C ATOM 275 O GLY A 19 17.940 7.894 -4.250 1.00 0.48 O ATOM 0 H GLY A 19 17.805 4.441 -2.620 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.998 6.642 -2.172 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.963 6.216 -3.571 1.00 0.45 H new ATOM 279 N GLY A 20 17.034 5.869 -4.560 1.00 0.32 N ATOM 280 CA GLY A 20 15.964 6.422 -5.316 1.00 0.32 C ATOM 281 C GLY A 20 14.729 6.454 -4.518 1.00 0.30 C ATOM 282 O GLY A 20 14.666 6.998 -3.423 1.00 0.44 O ATOM 0 H GLY A 20 17.040 4.852 -4.483 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.222 7.431 -5.637 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.805 5.831 -6.218 1.00 0.32 H new ATOM 286 N SER A 21 13.768 5.842 -5.082 1.00 0.24 N ATOM 287 CA SER A 21 12.489 5.745 -4.531 1.00 0.22 C ATOM 288 C SER A 21 11.844 4.457 -4.944 1.00 0.22 C ATOM 289 O SER A 21 12.361 3.701 -5.758 1.00 0.25 O ATOM 290 CB SER A 21 11.654 6.905 -5.005 1.00 0.30 C ATOM 291 OG SER A 21 11.734 7.072 -6.411 1.00 0.82 O ATOM 0 H SER A 21 13.860 5.374 -5.984 1.00 0.24 H new ATOM 0 HA SER A 21 12.565 5.767 -3.444 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.615 6.747 -4.716 1.00 0.30 H new ATOM 0 HB3 SER A 21 11.987 7.818 -4.511 1.00 0.30 H new ATOM 0 HG SER A 21 11.178 7.832 -6.682 1.00 0.82 H new ATOM 297 N ILE A 22 10.710 4.266 -4.372 1.00 0.22 N ATOM 298 CA ILE A 22 9.803 3.229 -4.691 1.00 0.24 C ATOM 299 C ILE A 22 8.421 3.773 -4.495 1.00 0.25 C ATOM 300 O ILE A 22 8.137 4.552 -3.589 1.00 0.27 O ATOM 301 CB ILE A 22 10.005 1.963 -3.872 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.024 0.893 -4.319 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.890 2.204 -2.377 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.222 0.436 -5.744 1.00 0.32 C ATOM 0 H ILE A 22 10.372 4.869 -3.622 1.00 0.22 H new ATOM 0 HA ILE A 22 9.974 2.924 -5.723 1.00 0.24 H new ATOM 0 HB ILE A 22 11.024 1.621 -4.053 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.114 0.032 -3.656 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.009 1.276 -4.209 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.043 1.265 -1.844 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.645 2.925 -2.066 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.899 2.594 -2.147 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.484 -0.328 -5.987 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.102 1.284 -6.418 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.224 0.021 -5.857 1.00 0.32 H new ATOM 316 N THR A 23 7.603 3.395 -5.380 1.00 0.25 N ATOM 317 CA THR A 23 6.282 3.966 -5.485 1.00 0.23 C ATOM 318 C THR A 23 5.249 2.914 -5.781 1.00 0.24 C ATOM 319 O THR A 23 5.374 2.124 -6.717 1.00 0.28 O ATOM 320 CB THR A 23 6.203 5.056 -6.562 1.00 0.26 C ATOM 321 OG1 THR A 23 7.290 5.975 -6.398 1.00 0.31 O ATOM 322 CG2 THR A 23 4.880 5.810 -6.475 1.00 0.24 C ATOM 0 H THR A 23 7.807 2.675 -6.073 1.00 0.25 H new ATOM 0 HA THR A 23 6.074 4.418 -4.515 1.00 0.23 H new ATOM 0 HB THR A 23 6.267 4.580 -7.540 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.238 6.669 -7.088 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.847 6.578 -7.248 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.054 5.114 -6.620 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.792 6.279 -5.495 1.00 0.24 H new ATOM 330 N PHE A 24 4.240 2.919 -4.965 1.00 0.24 N ATOM 331 CA PHE A 24 3.094 2.070 -5.163 1.00 0.27 C ATOM 332 C PHE A 24 1.834 2.923 -5.110 1.00 0.24 C ATOM 333 O PHE A 24 1.808 3.983 -4.489 1.00 0.30 O ATOM 334 CB PHE A 24 2.993 1.011 -4.075 1.00 0.40 C ATOM 335 CG PHE A 24 4.300 0.499 -3.545 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.169 -0.195 -4.359 1.00 0.46 C ATOM 337 CD2 PHE A 24 4.641 0.687 -2.219 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.354 -0.696 -3.864 1.00 0.53 C ATOM 339 CE2 PHE A 24 5.824 0.196 -1.719 1.00 0.51 C ATOM 340 CZ PHE A 24 6.682 -0.498 -2.541 1.00 0.49 C ATOM 0 H PHE A 24 4.183 3.513 -4.138 1.00 0.24 H new ATOM 0 HA PHE A 24 3.201 1.576 -6.129 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.421 1.423 -3.244 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.424 0.167 -4.466 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.918 -0.348 -5.398 1.00 0.46 H new ATOM 0 HD2 PHE A 24 3.970 1.226 -1.567 1.00 0.43 H new ATOM 0 HE1 PHE A 24 7.023 -1.242 -4.512 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.080 0.355 -0.682 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.611 -0.887 -2.150 1.00 0.49 H new ATOM 350 N SER A 25 0.808 2.446 -5.753 1.00 0.28 N ATOM 351 CA SER A 25 -0.495 3.059 -5.702 1.00 0.28 C ATOM 352 C SER A 25 -1.548 1.987 -5.485 1.00 0.27 C ATOM 353 O SER A 25 -1.666 1.037 -6.259 1.00 0.31 O ATOM 354 CB SER A 25 -0.792 3.805 -6.987 1.00 0.35 C ATOM 355 OG SER A 25 0.368 3.919 -7.802 1.00 0.58 O ATOM 0 H SER A 25 0.849 1.610 -6.336 1.00 0.28 H new ATOM 0 HA SER A 25 -0.511 3.771 -4.877 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.576 3.285 -7.538 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.173 4.799 -6.753 1.00 0.35 H new ATOM 0 HG SER A 25 0.144 4.403 -8.624 1.00 0.58 H new ATOM 361 N ALA A 26 -2.286 2.150 -4.422 1.00 0.26 N ATOM 362 CA ALA A 26 -3.346 1.220 -4.048 1.00 0.26 C ATOM 363 C ALA A 26 -4.703 1.899 -4.158 1.00 0.22 C ATOM 364 O ALA A 26 -4.984 2.862 -3.452 1.00 0.25 O ATOM 365 CB ALA A 26 -3.135 0.705 -2.631 1.00 0.32 C ATOM 0 H ALA A 26 -2.178 2.934 -3.778 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.316 0.372 -4.733 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.937 0.013 -2.372 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.177 0.189 -2.570 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.141 1.543 -1.935 1.00 0.32 H new ATOM 371 N ARG A 27 -5.537 1.403 -5.048 1.00 0.22 N ATOM 372 CA ARG A 27 -6.833 2.015 -5.285 1.00 0.25 C ATOM 373 C ARG A 27 -7.940 1.170 -4.669 1.00 0.23 C ATOM 374 O ARG A 27 -8.169 0.035 -5.095 1.00 0.31 O ATOM 375 CB ARG A 27 -7.064 2.187 -6.787 1.00 0.36 C ATOM 376 CG ARG A 27 -6.020 3.066 -7.455 1.00 0.28 C ATOM 377 CD ARG A 27 -6.283 3.202 -8.947 1.00 0.46 C ATOM 378 NE ARG A 27 -5.232 3.962 -9.635 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.217 4.205 -10.949 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.210 3.789 -11.728 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.203 4.877 -11.483 1.00 2.43 N ATOM 0 H ARG A 27 -5.344 0.580 -5.619 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.849 2.998 -4.814 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.063 1.206 -7.263 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.051 2.619 -6.949 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.022 4.053 -6.992 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.029 2.642 -7.296 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.360 2.210 -9.391 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.243 3.695 -9.100 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.463 4.328 -9.074 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.995 3.278 -11.324 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.187 3.981 -12.730 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.440 5.205 -10.891 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.187 5.065 -12.485 1.00 2.43 H new ATOM 395 N VAL A 28 -8.634 1.726 -3.677 1.00 0.19 N ATOM 396 CA VAL A 28 -9.642 0.990 -2.966 1.00 0.20 C ATOM 397 C VAL A 28 -10.987 1.647 -3.145 1.00 0.23 C ATOM 398 O VAL A 28 -11.162 2.849 -2.932 1.00 0.24 O ATOM 399 CB VAL A 28 -9.349 0.866 -1.464 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.245 -0.199 -0.841 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.880 0.557 -1.236 1.00 0.23 C ATOM 0 H VAL A 28 -8.506 2.686 -3.358 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.642 -0.015 -3.388 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.568 1.817 -0.978 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.029 -0.279 0.224 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.290 0.078 -0.979 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.058 -1.159 -1.322 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.688 0.472 -0.166 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.626 -0.383 -1.726 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.271 1.360 -1.652 1.00 0.23 H new ATOM 411 N ALA A 29 -11.896 0.835 -3.583 1.00 0.29 N ATOM 412 CA ALA A 29 -13.276 1.207 -3.798 1.00 0.32 C ATOM 413 C ALA A 29 -13.921 1.771 -2.542 1.00 0.34 C ATOM 414 O ALA A 29 -14.184 1.052 -1.581 1.00 0.40 O ATOM 415 CB ALA A 29 -14.060 0.001 -4.284 1.00 0.38 C ATOM 0 H ALA A 29 -11.701 -0.140 -3.811 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.292 1.992 -4.554 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.100 0.284 -4.445 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.632 -0.358 -5.220 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.011 -0.790 -3.536 1.00 0.38 H new ATOM 421 N GLY A 30 -14.162 3.068 -2.579 1.00 0.35 N ATOM 422 CA GLY A 30 -14.893 3.741 -1.517 1.00 0.42 C ATOM 423 C GLY A 30 -16.247 3.111 -1.258 1.00 0.50 C ATOM 424 O GLY A 30 -16.642 2.930 -0.117 1.00 0.76 O ATOM 0 H GLY A 30 -13.861 3.681 -3.337 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.303 3.716 -0.601 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.028 4.790 -1.781 1.00 0.42 H new ATOM 428 N ALA A 31 -16.963 2.836 -2.342 1.00 0.49 N ATOM 429 CA ALA A 31 -18.174 2.012 -2.328 1.00 0.55 C ATOM 430 C ALA A 31 -19.300 2.572 -1.463 1.00 0.64 C ATOM 431 O ALA A 31 -19.201 3.658 -0.889 1.00 0.71 O ATOM 432 CB ALA A 31 -17.830 0.594 -1.892 1.00 0.58 C ATOM 0 H ALA A 31 -16.719 3.182 -3.270 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.555 2.014 -3.349 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.735 -0.014 -1.884 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.110 0.164 -2.588 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.398 0.616 -0.891 1.00 0.58 H new ATOM 438 N SER A 32 -20.386 1.812 -1.422 1.00 0.85 N ATOM 439 CA SER A 32 -21.531 2.121 -0.579 1.00 0.96 C ATOM 440 C SER A 32 -21.543 1.168 0.617 1.00 1.01 C ATOM 441 O SER A 32 -22.596 0.824 1.155 1.00 1.69 O ATOM 442 CB SER A 32 -22.818 1.983 -1.395 1.00 1.19 C ATOM 443 OG SER A 32 -22.698 2.662 -2.638 1.00 1.74 O ATOM 0 H SER A 32 -20.497 0.962 -1.974 1.00 0.85 H new ATOM 0 HA SER A 32 -21.462 3.145 -0.213 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.033 0.929 -1.570 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.658 2.390 -0.832 1.00 1.19 H new ATOM 0 HG SER A 32 -23.529 2.562 -3.147 1.00 1.74 H new ATOM 449 N LEU A 33 -20.341 0.744 1.001 1.00 0.96 N ATOM 450 CA LEU A 33 -20.122 -0.168 2.126 1.00 0.93 C ATOM 451 C LEU A 33 -20.662 0.373 3.453 1.00 0.90 C ATOM 452 O LEU A 33 -21.142 1.505 3.538 1.00 0.98 O ATOM 453 CB LEU A 33 -18.619 -0.531 2.246 1.00 0.99 C ATOM 454 CG LEU A 33 -17.581 0.586 2.515 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.455 0.450 1.504 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.154 2.004 2.471 1.00 1.95 C ATOM 0 H LEU A 33 -19.479 1.027 0.535 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.691 -1.072 1.912 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.524 -1.264 3.047 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.329 -1.030 1.321 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.224 0.450 3.536 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.713 1.230 1.678 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -15.986 -0.528 1.611 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.857 0.551 0.496 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.360 2.724 2.670 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.578 2.195 1.485 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.933 2.105 3.227 1.00 1.95 H new ATOM 468 N LEU A 34 -20.570 -0.452 4.492 1.00 0.87 N ATOM 469 CA LEU A 34 -21.113 -0.097 5.798 1.00 0.89 C ATOM 470 C LEU A 34 -20.233 0.954 6.457 1.00 0.84 C ATOM 471 O LEU A 34 -20.709 1.898 7.087 1.00 0.95 O ATOM 472 CB LEU A 34 -21.209 -1.329 6.687 1.00 1.01 C ATOM 473 CG LEU A 34 -22.003 -1.114 7.971 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.494 -1.033 7.682 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.700 -2.210 8.972 1.00 1.47 C ATOM 0 H LEU A 34 -20.125 -1.369 4.455 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.114 0.311 5.661 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.670 -2.138 6.119 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.202 -1.655 6.946 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.698 -0.162 8.407 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -24.038 -0.879 8.614 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.689 -0.200 7.007 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.826 -1.962 7.217 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -22.275 -2.041 9.882 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.970 -3.176 8.546 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.636 -2.203 9.209 1.00 1.47 H new ATOM 487 N LYS A 35 -18.941 0.760 6.298 1.00 0.76 N ATOM 488 CA LYS A 35 -17.947 1.688 6.787 1.00 0.76 C ATOM 489 C LYS A 35 -16.780 1.696 5.822 1.00 0.65 C ATOM 490 O LYS A 35 -16.377 0.633 5.360 1.00 0.75 O ATOM 491 CB LYS A 35 -17.516 1.317 8.221 1.00 0.90 C ATOM 492 CG LYS A 35 -17.515 -0.185 8.510 1.00 0.92 C ATOM 493 CD LYS A 35 -16.215 -0.863 8.106 1.00 0.90 C ATOM 494 CE LYS A 35 -15.100 -0.551 9.092 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.394 -1.057 10.465 1.00 1.40 N ATOM 0 H LYS A 35 -18.549 -0.053 5.822 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.362 2.694 6.840 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.515 1.710 8.400 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.183 1.810 8.927 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.687 -0.346 9.574 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.344 -0.653 7.979 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.366 -1.941 8.053 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.925 -0.533 7.109 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.170 -0.994 8.736 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.945 0.527 9.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.508 -1.132 11.004 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.038 -0.398 10.947 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.841 -1.994 10.401 1.00 1.40 H new ATOM 509 N PRO A 36 -16.269 2.895 5.464 1.00 0.65 N ATOM 510 CA PRO A 36 -15.193 3.052 4.472 1.00 0.56 C ATOM 511 C PRO A 36 -14.082 2.030 4.663 1.00 0.45 C ATOM 512 O PRO A 36 -13.728 1.708 5.802 1.00 0.47 O ATOM 513 CB PRO A 36 -14.683 4.464 4.743 1.00 0.61 C ATOM 514 CG PRO A 36 -15.881 5.196 5.225 1.00 0.88 C ATOM 515 CD PRO A 36 -16.696 4.199 6.010 1.00 0.88 C ATOM 0 HA PRO A 36 -15.541 2.898 3.451 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.889 4.464 5.489 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.273 4.920 3.841 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.595 6.042 5.849 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.455 5.596 4.389 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.496 4.271 7.079 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.765 4.360 5.874 1.00 0.88 H new ATOM 523 N PRO A 37 -13.516 1.506 3.557 1.00 0.40 N ATOM 524 CA PRO A 37 -12.585 0.387 3.627 1.00 0.35 C ATOM 525 C PRO A 37 -11.441 0.627 4.587 1.00 0.32 C ATOM 526 O PRO A 37 -10.839 1.704 4.625 1.00 0.36 O ATOM 527 CB PRO A 37 -12.030 0.224 2.223 1.00 0.40 C ATOM 528 CG PRO A 37 -12.682 1.258 1.358 1.00 0.53 C ATOM 529 CD PRO A 37 -13.709 1.995 2.175 1.00 0.47 C ATOM 0 HA PRO A 37 -13.107 -0.498 3.992 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -10.947 0.350 2.222 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.234 -0.777 1.844 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -11.936 1.953 0.973 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.153 0.786 0.496 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.563 3.073 2.113 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.719 1.789 1.820 1.00 0.47 H new ATOM 537 N VAL A 38 -11.145 -0.400 5.354 1.00 0.29 N ATOM 538 CA VAL A 38 -10.031 -0.383 6.250 1.00 0.27 C ATOM 539 C VAL A 38 -8.937 -1.112 5.563 1.00 0.22 C ATOM 540 O VAL A 38 -8.945 -2.334 5.435 1.00 0.20 O ATOM 541 CB VAL A 38 -10.276 -1.089 7.577 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.301 -0.599 8.636 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.714 -0.952 8.032 1.00 0.77 C ATOM 0 H VAL A 38 -11.678 -1.269 5.367 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.813 0.659 6.485 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.097 -2.153 7.425 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.494 -1.117 9.576 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.280 -0.803 8.313 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.429 0.474 8.780 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.846 -1.470 8.982 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.957 0.103 8.157 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.375 -1.391 7.285 1.00 0.77 H new ATOM 553 N VAL A 39 -8.034 -0.355 5.109 1.00 0.22 N ATOM 554 CA VAL A 39 -6.912 -0.859 4.402 1.00 0.21 C ATOM 555 C VAL A 39 -5.704 -0.692 5.270 1.00 0.20 C ATOM 556 O VAL A 39 -5.290 0.418 5.603 1.00 0.23 O ATOM 557 CB VAL A 39 -6.652 -0.112 3.092 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.893 -0.992 2.114 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.940 0.410 2.483 1.00 0.24 C ATOM 0 H VAL A 39 -8.041 0.660 5.213 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.115 -1.902 4.159 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.030 0.754 3.319 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.719 -0.442 1.189 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.937 -1.280 2.551 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.478 -1.886 1.899 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.717 0.935 1.554 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.609 -0.425 2.276 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.421 1.096 3.181 1.00 0.24 H new ATOM 569 N LYS A 40 -5.179 -1.798 5.647 1.00 0.19 N ATOM 570 CA LYS A 40 -3.965 -1.853 6.386 1.00 0.20 C ATOM 571 C LYS A 40 -2.834 -2.214 5.491 1.00 0.19 C ATOM 572 O LYS A 40 -2.833 -3.211 4.772 1.00 0.21 O ATOM 573 CB LYS A 40 -4.051 -2.822 7.553 1.00 0.26 C ATOM 574 CG LYS A 40 -4.633 -4.183 7.193 1.00 0.31 C ATOM 575 CD LYS A 40 -3.564 -5.221 6.835 1.00 0.37 C ATOM 576 CE LYS A 40 -3.159 -6.035 8.053 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.598 -7.367 7.688 1.00 1.54 N ATOM 0 H LYS A 40 -5.586 -2.712 5.449 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.789 -0.861 6.802 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.053 -2.964 7.967 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.661 -2.375 8.338 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.222 -4.552 8.032 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.315 -4.068 6.351 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.944 -5.886 6.060 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.689 -4.719 6.423 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.420 -5.478 8.629 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -4.027 -6.174 8.698 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -2.464 -7.935 8.549 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.256 -7.857 7.049 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -1.682 -7.239 7.211 1.00 1.54 H new ATOM 591 N TRP A 41 -1.918 -1.331 5.505 1.00 0.18 N ATOM 592 CA TRP A 41 -0.687 -1.503 4.817 1.00 0.19 C ATOM 593 C TRP A 41 0.329 -2.228 5.653 1.00 0.21 C ATOM 594 O TRP A 41 0.369 -2.120 6.880 1.00 0.28 O ATOM 595 CB TRP A 41 -0.151 -0.159 4.424 1.00 0.21 C ATOM 596 CG TRP A 41 -0.929 0.464 3.334 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.036 1.245 3.455 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.674 0.320 1.949 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.422 1.683 2.204 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.612 1.101 1.271 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.288 -0.376 1.220 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.624 1.191 -0.104 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.268 -0.292 -0.147 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.680 0.491 -0.796 1.00 0.33 C ATOM 0 H TRP A 41 -1.996 -0.445 6.004 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.877 -2.111 3.932 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.158 0.499 5.293 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.888 -0.263 4.111 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.534 1.485 4.383 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.184 2.332 2.009 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.036 -0.971 1.724 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.357 1.796 -0.617 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.996 -0.840 -0.727 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.669 0.546 -1.875 1.00 0.33 H new ATOM 615 N PHE A 42 1.150 -2.944 4.951 1.00 0.21 N ATOM 616 CA PHE A 42 2.296 -3.593 5.505 1.00 0.23 C ATOM 617 C PHE A 42 3.423 -3.169 4.612 1.00 0.26 C ATOM 618 O PHE A 42 3.231 -3.030 3.412 1.00 0.34 O ATOM 619 CB PHE A 42 2.124 -5.115 5.507 1.00 0.26 C ATOM 620 CG PHE A 42 3.140 -5.864 6.322 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.936 -6.073 7.673 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.287 -6.374 5.732 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.856 -6.776 8.425 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.211 -7.081 6.480 1.00 0.50 C ATOM 625 CZ PHE A 42 4.996 -7.281 7.828 1.00 0.60 C ATOM 0 H PHE A 42 1.038 -3.097 3.949 1.00 0.21 H new ATOM 0 HA PHE A 42 2.468 -3.321 6.546 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.129 -5.353 5.884 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.169 -5.473 4.478 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.047 -5.682 8.146 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.460 -6.217 4.678 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.685 -6.931 9.480 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.099 -7.476 6.010 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.717 -7.831 8.415 1.00 0.60 H new ATOM 635 N LYS A 43 4.546 -2.895 5.184 1.00 0.28 N ATOM 636 CA LYS A 43 5.655 -2.356 4.447 1.00 0.31 C ATOM 637 C LYS A 43 6.668 -3.481 4.296 1.00 0.39 C ATOM 638 O LYS A 43 6.527 -4.436 5.019 1.00 0.81 O ATOM 639 CB LYS A 43 6.223 -1.135 5.203 1.00 0.40 C ATOM 640 CG LYS A 43 7.464 -0.517 4.604 1.00 0.54 C ATOM 641 CD LYS A 43 7.768 0.821 5.250 1.00 0.67 C ATOM 642 CE LYS A 43 8.992 1.459 4.631 1.00 1.29 C ATOM 643 NZ LYS A 43 8.796 1.758 3.188 1.00 2.17 N ATOM 0 H LYS A 43 4.729 -3.036 6.178 1.00 0.28 H new ATOM 0 HA LYS A 43 5.368 -2.001 3.457 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.448 -0.371 5.257 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.446 -1.435 6.227 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.311 -1.190 4.737 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.327 -0.385 3.531 1.00 0.54 H new ATOM 0 HD2 LYS A 43 6.911 1.486 5.137 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.927 0.684 6.320 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.229 2.380 5.163 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.847 0.794 4.750 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.593 2.328 2.840 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.748 0.868 2.652 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 7.910 2.287 3.060 1.00 2.17 H new ATOM 657 N GLY A 44 7.664 -3.303 3.400 1.00 0.64 N ATOM 658 CA GLY A 44 8.792 -4.235 3.108 1.00 0.92 C ATOM 659 C GLY A 44 9.050 -5.417 4.055 1.00 0.39 C ATOM 660 O GLY A 44 8.168 -5.950 4.642 1.00 1.23 O ATOM 0 H GLY A 44 7.711 -2.461 2.826 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.631 -4.643 2.110 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.706 -3.642 3.066 1.00 0.92 H new ATOM 664 N LYS A 45 10.205 -6.026 3.912 1.00 0.85 N ATOM 665 CA LYS A 45 10.473 -7.380 4.434 1.00 1.06 C ATOM 666 C LYS A 45 9.981 -7.706 5.883 1.00 0.74 C ATOM 667 O LYS A 45 10.098 -8.855 6.306 1.00 0.82 O ATOM 668 CB LYS A 45 11.977 -7.625 4.347 1.00 1.67 C ATOM 669 CG LYS A 45 12.830 -6.514 4.895 1.00 2.44 C ATOM 670 CD LYS A 45 14.305 -6.888 4.812 1.00 2.82 C ATOM 671 CE LYS A 45 14.597 -8.151 5.606 1.00 2.98 C ATOM 672 NZ LYS A 45 15.911 -8.749 5.262 1.00 3.87 N ATOM 0 H LYS A 45 11.001 -5.608 3.430 1.00 0.85 H new ATOM 0 HA LYS A 45 9.879 -8.046 3.808 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.213 -8.544 4.884 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.244 -7.788 3.303 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.648 -5.597 4.334 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.557 -6.314 5.931 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.587 -7.037 3.770 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.913 -6.067 5.192 1.00 2.82 H new ATOM 0 HE2 LYS A 45 14.575 -7.920 6.671 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.810 -8.882 5.422 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 16.062 -9.607 5.830 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.926 -8.996 4.252 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.667 -8.064 5.462 1.00 3.87 H new ATOM 686 N TRP A 46 9.456 -6.733 6.648 1.00 0.58 N ATOM 687 CA TRP A 46 8.864 -7.007 7.976 1.00 0.57 C ATOM 688 C TRP A 46 8.074 -5.828 8.539 1.00 0.63 C ATOM 689 O TRP A 46 7.508 -5.910 9.635 1.00 0.74 O ATOM 690 CB TRP A 46 9.955 -7.285 8.979 1.00 0.76 C ATOM 691 CG TRP A 46 11.174 -6.469 8.722 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.134 -6.761 7.825 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.563 -5.240 9.344 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.061 -5.770 7.769 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.758 -4.828 8.719 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.014 -4.438 10.349 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.411 -3.649 9.070 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.668 -3.272 10.702 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.853 -2.887 10.062 1.00 2.11 C ATOM 0 H TRP A 46 9.428 -5.751 6.373 1.00 0.58 H new ATOM 0 HA TRP A 46 8.198 -7.857 7.826 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.585 -7.077 9.983 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.214 -8.343 8.948 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.163 -7.662 7.230 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.852 -5.732 7.126 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.096 -4.724 10.841 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.324 -3.347 8.578 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.259 -2.649 11.483 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.338 -1.968 10.358 1.00 2.11 H new ATOM 710 N VAL A 47 8.041 -4.751 7.805 1.00 0.63 N ATOM 711 CA VAL A 47 7.731 -3.487 8.332 1.00 0.74 C ATOM 712 C VAL A 47 6.263 -3.158 8.212 1.00 0.59 C ATOM 713 O VAL A 47 5.471 -3.816 7.545 1.00 0.57 O ATOM 714 CB VAL A 47 8.565 -2.378 7.649 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.408 -1.660 8.675 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.458 -2.928 6.544 1.00 1.29 C ATOM 0 H VAL A 47 8.236 -4.746 6.804 1.00 0.63 H new ATOM 0 HA VAL A 47 7.982 -3.528 9.392 1.00 0.74 H new ATOM 0 HB VAL A 47 7.864 -1.680 7.191 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.992 -0.881 8.185 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.760 -1.209 9.427 1.00 1.20 H new ATOM 0 HG13 VAL A 47 10.081 -2.371 9.155 1.00 1.20 H new ATOM 0 HG21 VAL A 47 10.024 -2.112 6.094 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.148 -3.660 6.964 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.842 -3.406 5.782 1.00 1.29 H new ATOM 726 N ASP A 48 5.961 -2.132 8.915 1.00 0.60 N ATOM 727 CA ASP A 48 4.708 -1.483 8.955 1.00 0.56 C ATOM 728 C ASP A 48 4.902 -0.139 8.308 1.00 0.58 C ATOM 729 O ASP A 48 6.027 0.315 8.186 1.00 0.96 O ATOM 730 CB ASP A 48 4.285 -1.295 10.405 1.00 0.73 C ATOM 731 CG ASP A 48 5.397 -0.780 11.300 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.415 -1.485 11.443 1.00 2.73 O ATOM 733 OD2 ASP A 48 5.260 0.325 11.863 1.00 2.22 O ATOM 0 H ASP A 48 6.643 -1.688 9.529 1.00 0.60 H new ATOM 0 HA ASP A 48 3.940 -2.062 8.442 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.447 -0.599 10.443 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.926 -2.247 10.796 1.00 0.73 H new ATOM 738 N LEU A 49 3.852 0.447 7.816 1.00 0.39 N ATOM 739 CA LEU A 49 3.911 1.831 7.383 1.00 0.35 C ATOM 740 C LEU A 49 3.387 2.784 8.425 1.00 0.41 C ATOM 741 O LEU A 49 3.901 3.882 8.543 1.00 0.44 O ATOM 742 CB LEU A 49 3.119 2.064 6.104 1.00 0.29 C ATOM 743 CG LEU A 49 3.638 1.394 4.837 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.087 0.008 4.644 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.241 2.207 3.656 1.00 0.28 C ATOM 0 H LEU A 49 2.943 -0.000 7.700 1.00 0.39 H new ATOM 0 HA LEU A 49 4.969 2.026 7.208 1.00 0.35 H new ATOM 0 HB2 LEU A 49 2.097 1.725 6.272 1.00 0.29 H new ATOM 0 HB3 LEU A 49 3.073 3.138 5.925 1.00 0.29 H new ATOM 0 HG LEU A 49 4.721 1.322 4.938 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.491 -0.420 3.726 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.370 -0.617 5.491 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.000 0.055 4.575 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.610 1.732 2.747 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.154 2.279 3.613 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.668 3.206 3.742 1.00 0.28 H new ATOM 757 N SER A 50 2.432 2.346 9.216 1.00 0.48 N ATOM 758 CA SER A 50 1.644 3.232 10.044 1.00 0.58 C ATOM 759 C SER A 50 2.545 3.999 10.975 1.00 0.62 C ATOM 760 O SER A 50 2.166 5.039 11.509 1.00 0.70 O ATOM 761 CB SER A 50 0.606 2.441 10.843 1.00 0.73 C ATOM 762 OG SER A 50 -0.347 3.302 11.442 1.00 1.23 O ATOM 0 H SER A 50 2.179 1.362 9.303 1.00 0.48 H new ATOM 0 HA SER A 50 1.117 3.935 9.400 1.00 0.58 H new ATOM 0 HB2 SER A 50 0.099 1.735 10.186 1.00 0.73 H new ATOM 0 HB3 SER A 50 1.106 1.856 11.615 1.00 0.73 H new ATOM 0 HG SER A 50 -0.998 2.770 11.945 1.00 1.23 H new ATOM 768 N SER A 51 3.745 3.482 11.176 1.00 0.64 N ATOM 769 CA SER A 51 4.641 4.109 12.074 1.00 0.75 C ATOM 770 C SER A 51 5.652 4.993 11.362 1.00 0.72 C ATOM 771 O SER A 51 6.159 5.968 11.919 1.00 0.85 O ATOM 772 CB SER A 51 5.357 3.066 12.897 1.00 0.90 C ATOM 773 OG SER A 51 4.453 2.366 13.729 1.00 1.34 O ATOM 0 H SER A 51 4.100 2.638 10.725 1.00 0.64 H new ATOM 0 HA SER A 51 4.050 4.754 12.725 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.867 2.364 12.237 1.00 0.90 H new ATOM 0 HB3 SER A 51 6.123 3.543 13.508 1.00 0.90 H new ATOM 0 HG SER A 51 4.368 1.441 13.415 1.00 1.34 H new ATOM 779 N LYS A 52 5.913 4.639 10.127 1.00 0.62 N ATOM 780 CA LYS A 52 7.020 5.182 9.377 1.00 0.66 C ATOM 781 C LYS A 52 6.572 6.273 8.421 1.00 0.67 C ATOM 782 O LYS A 52 7.347 7.169 8.093 1.00 1.09 O ATOM 783 CB LYS A 52 7.699 4.068 8.585 1.00 0.65 C ATOM 784 CG LYS A 52 7.267 2.645 8.913 1.00 0.70 C ATOM 785 CD LYS A 52 7.505 2.217 10.363 1.00 0.78 C ATOM 786 CE LYS A 52 8.905 1.661 10.591 1.00 1.02 C ATOM 787 NZ LYS A 52 9.943 2.722 10.647 1.00 1.40 N ATOM 0 H LYS A 52 5.357 3.959 9.609 1.00 0.62 H new ATOM 0 HA LYS A 52 7.719 5.621 10.089 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.519 4.244 7.524 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.775 4.143 8.743 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.205 2.542 8.689 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.799 1.958 8.255 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.347 3.072 11.020 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.769 1.462 10.640 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.919 1.095 11.523 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.149 0.963 9.790 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.734 2.403 11.242 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 10.290 2.920 9.687 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 9.533 3.588 11.052 1.00 1.40 H new ATOM 801 N VAL A 53 5.349 6.105 7.932 1.00 0.34 N ATOM 802 CA VAL A 53 4.642 7.054 7.091 1.00 0.32 C ATOM 803 C VAL A 53 4.957 8.482 7.479 1.00 0.33 C ATOM 804 O VAL A 53 4.365 9.078 8.380 1.00 0.37 O ATOM 805 CB VAL A 53 3.116 6.781 7.132 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.299 7.832 6.396 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.821 5.442 6.520 1.00 0.35 C ATOM 0 H VAL A 53 4.802 5.265 8.121 1.00 0.34 H new ATOM 0 HA VAL A 53 4.986 6.918 6.066 1.00 0.32 H new ATOM 0 HB VAL A 53 2.829 6.809 8.183 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.240 7.582 6.463 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.471 8.809 6.848 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.600 7.859 5.349 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.747 5.256 6.552 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.160 5.433 5.484 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.341 4.664 7.079 1.00 0.35 H new ATOM 817 N GLY A 54 5.960 8.969 6.804 1.00 0.35 N ATOM 818 CA GLY A 54 6.433 10.313 6.989 1.00 0.41 C ATOM 819 C GLY A 54 7.036 10.880 5.722 1.00 0.44 C ATOM 820 O GLY A 54 6.328 11.051 4.739 1.00 0.70 O ATOM 0 H GLY A 54 6.478 8.439 6.103 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.607 10.947 7.313 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.178 10.329 7.784 1.00 0.41 H new ATOM 824 N GLN A 55 8.339 11.158 5.729 1.00 0.36 N ATOM 825 CA GLN A 55 8.982 11.813 4.584 1.00 0.43 C ATOM 826 C GLN A 55 9.641 10.830 3.614 1.00 0.39 C ATOM 827 O GLN A 55 9.800 11.139 2.437 1.00 0.50 O ATOM 828 CB GLN A 55 10.003 12.854 5.049 1.00 0.61 C ATOM 829 CG GLN A 55 9.397 14.217 5.333 1.00 1.43 C ATOM 830 CD GLN A 55 8.529 14.240 6.573 1.00 2.08 C ATOM 831 OE1 GLN A 55 9.021 14.426 7.684 1.00 2.75 O ATOM 832 NE2 GLN A 55 7.232 14.085 6.385 1.00 2.69 N ATOM 0 H GLN A 55 8.967 10.944 6.504 1.00 0.36 H new ATOM 0 HA GLN A 55 8.180 12.309 4.037 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.495 12.490 5.951 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.774 12.961 4.286 1.00 0.61 H new ATOM 0 HG2 GLN A 55 10.199 14.947 5.446 1.00 1.43 H new ATOM 0 HG3 GLN A 55 8.801 14.528 4.475 1.00 1.43 H new ATOM 0 HE21 GLN A 55 6.868 13.933 5.445 1.00 2.69 H new ATOM 0 HE22 GLN A 55 6.594 14.117 7.180 1.00 2.69 H new ATOM 841 N HIS A 56 10.030 9.655 4.087 1.00 0.36 N ATOM 842 CA HIS A 56 10.636 8.661 3.193 1.00 0.41 C ATOM 843 C HIS A 56 9.568 7.716 2.662 1.00 0.35 C ATOM 844 O HIS A 56 9.594 7.304 1.524 1.00 0.42 O ATOM 845 CB HIS A 56 11.747 7.877 3.907 1.00 0.54 C ATOM 846 CG HIS A 56 11.255 6.917 4.944 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.895 5.621 4.654 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.025 7.082 6.266 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.453 5.034 5.751 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.525 5.899 6.746 1.00 1.33 N ATOM 0 H HIS A 56 9.943 9.364 5.061 1.00 0.36 H new ATOM 0 HA HIS A 56 11.089 9.187 2.353 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.323 7.326 3.163 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.429 8.584 4.378 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.202 7.980 6.839 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.093 4.018 5.822 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.253 5.717 7.712 1.00 1.33 H new ATOM 859 N LEU A 57 8.638 7.388 3.510 1.00 0.28 N ATOM 860 CA LEU A 57 7.460 6.651 3.131 1.00 0.25 C ATOM 861 C LEU A 57 6.310 7.480 3.571 1.00 0.23 C ATOM 862 O LEU A 57 6.040 7.565 4.742 1.00 0.29 O ATOM 863 CB LEU A 57 7.470 5.260 3.828 1.00 0.38 C ATOM 864 CG LEU A 57 6.193 4.381 3.898 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.780 4.209 5.340 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.023 4.906 3.073 1.00 1.10 C ATOM 0 H LEU A 57 8.674 7.627 4.501 1.00 0.28 H new ATOM 0 HA LEU A 57 7.407 6.463 2.059 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.239 4.664 3.336 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.800 5.422 4.854 1.00 0.38 H new ATOM 0 HG LEU A 57 6.456 3.421 3.453 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.883 3.592 5.390 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.585 3.726 5.894 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.574 5.185 5.778 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.172 4.233 3.178 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.745 5.899 3.426 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.314 4.962 2.024 1.00 1.10 H new ATOM 878 N GLN A 58 5.646 8.082 2.635 1.00 0.20 N ATOM 879 CA GLN A 58 4.391 8.662 2.912 1.00 0.21 C ATOM 880 C GLN A 58 3.361 7.767 2.284 1.00 0.18 C ATOM 881 O GLN A 58 3.298 7.600 1.068 1.00 0.19 O ATOM 882 CB GLN A 58 4.272 10.107 2.396 1.00 0.27 C ATOM 883 CG GLN A 58 5.209 10.500 1.254 1.00 0.46 C ATOM 884 CD GLN A 58 6.612 10.845 1.723 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.848 11.958 2.191 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.574 9.963 1.496 1.00 0.28 N ATOM 0 H GLN A 58 5.963 8.179 1.670 1.00 0.20 H new ATOM 0 HA GLN A 58 4.247 8.739 3.990 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.246 10.269 2.067 1.00 0.27 H new ATOM 0 HB3 GLN A 58 4.449 10.784 3.232 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.264 9.679 0.539 1.00 0.46 H new ATOM 0 HG3 GLN A 58 4.789 11.356 0.726 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.346 9.048 1.107 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.543 10.199 1.710 1.00 0.28 H new ATOM 895 N LEU A 59 2.587 7.188 3.144 1.00 0.20 N ATOM 896 CA LEU A 59 1.473 6.370 2.769 1.00 0.20 C ATOM 897 C LEU A 59 0.305 7.330 2.752 1.00 0.21 C ATOM 898 O LEU A 59 -0.322 7.612 3.771 1.00 0.23 O ATOM 899 CB LEU A 59 1.298 5.224 3.805 1.00 0.23 C ATOM 900 CG LEU A 59 0.344 4.073 3.487 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.090 3.341 4.786 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.941 4.552 2.839 1.00 0.23 C ATOM 0 H LEU A 59 2.713 7.271 4.153 1.00 0.20 H new ATOM 0 HA LEU A 59 1.586 5.876 1.804 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.283 4.794 3.988 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.968 5.675 4.741 1.00 0.23 H new ATOM 0 HG LEU A 59 0.792 3.402 2.754 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.589 2.507 4.607 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.033 2.963 5.181 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.357 4.025 5.507 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.585 3.697 2.633 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.454 5.239 3.512 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.709 5.065 1.906 1.00 0.23 H new ATOM 914 N HIS A 60 0.077 7.867 1.583 1.00 0.22 N ATOM 915 CA HIS A 60 -0.842 8.922 1.385 1.00 0.25 C ATOM 916 C HIS A 60 -2.159 8.383 0.968 1.00 0.24 C ATOM 917 O HIS A 60 -2.301 7.272 0.470 1.00 0.26 O ATOM 918 CB HIS A 60 -0.306 9.916 0.346 1.00 0.37 C ATOM 919 CG HIS A 60 -1.152 11.139 0.117 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.439 12.062 1.103 1.00 1.48 N ATOM 921 CD2 HIS A 60 -1.750 11.602 -1.007 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.175 13.032 0.595 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.376 12.778 -0.683 1.00 2.03 N ATOM 0 H HIS A 60 0.545 7.565 0.729 1.00 0.22 H new ATOM 0 HA HIS A 60 -0.970 9.455 2.327 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.688 10.237 0.657 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.190 9.394 -0.604 1.00 0.37 H new ATOM 0 HD2 HIS A 60 -1.736 11.132 -1.979 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -2.550 13.889 1.135 1.00 1.91 H new ATOM 0 HE2 HIS A 60 -2.911 13.362 -1.326 1.00 2.03 H new ATOM 932 N ASP A 61 -3.080 9.223 1.184 1.00 0.29 N ATOM 933 CA ASP A 61 -4.455 8.985 0.944 1.00 0.32 C ATOM 934 C ASP A 61 -4.954 9.970 -0.051 1.00 0.35 C ATOM 935 O ASP A 61 -4.897 11.189 0.126 1.00 0.48 O ATOM 936 CB ASP A 61 -5.317 9.162 2.160 1.00 0.44 C ATOM 937 CG ASP A 61 -4.572 9.140 3.488 1.00 0.54 C ATOM 938 OD1 ASP A 61 -3.830 10.106 3.781 1.00 0.73 O ATOM 939 OD2 ASP A 61 -4.750 8.175 4.260 1.00 0.92 O ATOM 0 H ASP A 61 -2.895 10.155 1.555 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.522 7.951 0.606 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -5.848 10.110 2.075 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -6.070 8.374 2.170 1.00 0.44 H new ATOM 944 N SER A 62 -5.430 9.406 -1.066 1.00 0.29 N ATOM 945 CA SER A 62 -6.211 10.090 -2.043 1.00 0.32 C ATOM 946 C SER A 62 -7.610 9.575 -1.900 1.00 0.32 C ATOM 947 O SER A 62 -7.830 8.408 -1.599 1.00 0.41 O ATOM 948 CB SER A 62 -5.672 9.894 -3.446 1.00 0.40 C ATOM 949 OG SER A 62 -4.310 10.289 -3.515 1.00 0.47 O ATOM 0 H SER A 62 -5.295 8.416 -1.269 1.00 0.29 H new ATOM 0 HA SER A 62 -6.176 11.167 -1.879 1.00 0.32 H new ATOM 0 HB2 SER A 62 -5.769 8.848 -3.736 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.262 10.477 -4.153 1.00 0.40 H new ATOM 0 HG SER A 62 -3.858 9.784 -4.223 1.00 0.47 H new ATOM 955 N TYR A 63 -8.543 10.444 -2.081 1.00 0.38 N ATOM 956 CA TYR A 63 -9.882 10.182 -1.656 1.00 0.45 C ATOM 957 C TYR A 63 -10.843 10.801 -2.633 1.00 0.47 C ATOM 958 O TYR A 63 -11.082 12.010 -2.630 1.00 0.54 O ATOM 959 CB TYR A 63 -10.077 10.758 -0.265 1.00 0.64 C ATOM 960 CG TYR A 63 -11.179 10.130 0.555 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.508 10.195 0.152 1.00 0.87 C ATOM 962 CD2 TYR A 63 -10.889 9.501 1.759 1.00 0.84 C ATOM 963 CE1 TYR A 63 -13.514 9.651 0.930 1.00 1.06 C ATOM 964 CE2 TYR A 63 -11.887 8.948 2.536 1.00 1.05 C ATOM 965 CZ TYR A 63 -13.196 9.028 2.121 1.00 1.07 C ATOM 966 OH TYR A 63 -14.191 8.485 2.905 1.00 1.39 O ATOM 0 H TYR A 63 -8.405 11.352 -2.525 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.069 9.109 -1.622 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.140 10.660 0.283 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.282 11.825 -0.359 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.758 10.677 -0.782 1.00 0.87 H new ATOM 0 HD2 TYR A 63 -9.864 9.444 2.093 1.00 0.84 H new ATOM 0 HE1 TYR A 63 -14.543 9.713 0.608 1.00 1.06 H new ATOM 0 HE2 TYR A 63 -11.641 8.455 3.465 1.00 1.05 H new ATOM 0 HH TYR A 63 -14.617 7.744 2.426 1.00 1.39 H new ATOM 976 N ASP A 64 -11.342 9.969 -3.499 1.00 0.47 N ATOM 977 CA ASP A 64 -12.276 10.388 -4.500 1.00 0.57 C ATOM 978 C ASP A 64 -13.597 9.719 -4.251 1.00 0.57 C ATOM 979 O ASP A 64 -13.686 8.508 -4.047 1.00 0.63 O ATOM 980 CB ASP A 64 -11.778 10.056 -5.895 1.00 0.71 C ATOM 981 CG ASP A 64 -12.423 10.901 -6.961 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.656 10.808 -7.130 1.00 2.42 O ATOM 983 OD2 ASP A 64 -11.702 11.650 -7.641 1.00 2.00 O ATOM 0 H ASP A 64 -11.111 8.976 -3.530 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.390 11.470 -4.439 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -10.697 10.194 -5.933 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.972 9.004 -6.104 1.00 0.71 H new ATOM 988 N ARG A 65 -14.608 10.521 -4.286 1.00 0.60 N ATOM 989 CA ARG A 65 -15.963 10.074 -3.992 1.00 0.64 C ATOM 990 C ARG A 65 -16.874 10.272 -5.179 1.00 0.74 C ATOM 991 O ARG A 65 -18.096 10.236 -5.073 1.00 0.88 O ATOM 992 CB ARG A 65 -16.508 10.763 -2.748 1.00 0.74 C ATOM 993 CG ARG A 65 -16.068 10.052 -1.489 1.00 0.86 C ATOM 994 CD ARG A 65 -16.411 8.577 -1.593 1.00 1.00 C ATOM 995 NE ARG A 65 -17.842 8.337 -1.391 1.00 1.19 N ATOM 996 CZ ARG A 65 -18.370 7.185 -0.968 1.00 1.80 C ATOM 997 NH1 ARG A 65 -17.586 6.167 -0.627 1.00 2.46 N ATOM 998 NH2 ARG A 65 -19.684 7.072 -0.851 1.00 2.07 N ATOM 0 H ARG A 65 -14.536 11.512 -4.518 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.925 9.004 -3.786 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.165 11.797 -2.723 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.597 10.789 -2.792 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -14.995 10.177 -1.344 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -16.560 10.490 -0.621 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -16.114 8.203 -2.573 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -15.840 8.018 -0.852 1.00 1.00 H new ATOM 0 HE ARG A 65 -18.482 9.106 -1.588 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -16.572 6.262 -0.687 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -17.998 5.291 -0.305 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -20.286 7.862 -1.083 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -20.094 6.195 -0.529 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.240 10.430 -6.306 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.918 10.490 -7.582 1.00 0.93 C ATOM 1014 C ALA A 66 -16.420 9.348 -8.445 1.00 0.83 C ATOM 1015 O ALA A 66 -17.148 8.787 -9.263 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.687 11.830 -8.264 1.00 1.15 C ATOM 0 H ALA A 66 -15.226 10.522 -6.372 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.993 10.393 -7.429 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.209 11.846 -9.221 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.067 12.631 -7.630 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.619 11.974 -8.430 1.00 1.15 H new ATOM 1022 N SER A 67 -15.164 9.007 -8.229 1.00 0.72 N ATOM 1023 CA SER A 67 -14.556 7.866 -8.868 1.00 0.72 C ATOM 1024 C SER A 67 -14.695 6.664 -7.956 1.00 0.58 C ATOM 1025 O SER A 67 -14.503 5.526 -8.383 1.00 0.63 O ATOM 1026 CB SER A 67 -13.080 8.146 -9.185 1.00 0.83 C ATOM 1027 OG SER A 67 -12.514 7.125 -9.993 1.00 1.41 O ATOM 0 H SER A 67 -14.540 9.517 -7.604 1.00 0.72 H new ATOM 0 HA SER A 67 -15.061 7.663 -9.813 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.993 9.105 -9.696 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.517 8.228 -8.255 1.00 0.83 H new ATOM 0 HG SER A 67 -11.575 7.336 -10.177 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.036 6.938 -6.690 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.278 5.892 -5.706 1.00 0.50 C ATOM 1035 C LYS A 68 -13.967 5.197 -5.382 1.00 0.44 C ATOM 1036 O LYS A 68 -13.924 4.014 -5.057 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.293 4.884 -6.240 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.743 3.873 -5.210 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.424 2.678 -5.853 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.927 1.373 -5.244 1.00 2.27 C ATOM 1041 NZ LYS A 68 -17.510 0.184 -5.922 1.00 3.31 N ATOM 0 H LYS A 68 -15.149 7.885 -6.328 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.685 6.338 -4.799 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.164 5.422 -6.613 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.857 4.356 -7.088 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -15.882 3.534 -4.633 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.429 4.349 -4.509 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.503 2.756 -5.723 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.232 2.679 -6.926 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.840 1.332 -5.312 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.182 1.347 -4.184 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.012 -0.673 -5.608 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.519 0.106 -5.680 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -17.408 0.287 -6.952 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.893 5.946 -5.449 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.590 5.377 -5.226 1.00 0.31 C ATOM 1057 C VAL A 69 -10.839 6.173 -4.200 1.00 0.29 C ATOM 1058 O VAL A 69 -10.685 7.387 -4.313 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.717 5.332 -6.484 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.510 4.439 -6.249 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.504 4.875 -7.700 1.00 0.43 C ATOM 0 H VAL A 69 -12.897 6.945 -5.655 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.778 4.356 -4.893 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.371 6.345 -6.691 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.896 4.413 -7.149 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.922 4.832 -5.419 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.845 3.430 -6.010 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.849 4.857 -8.571 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.900 3.875 -7.522 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.328 5.565 -7.880 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.396 5.477 -3.207 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.442 6.011 -2.288 1.00 0.25 C ATOM 1073 C TYR A 70 -8.117 5.440 -2.689 1.00 0.22 C ATOM 1074 O TYR A 70 -7.851 4.248 -2.530 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.721 5.652 -0.841 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.169 5.819 -0.412 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.040 6.622 -1.137 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.668 5.160 0.707 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.361 6.767 -0.755 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.981 5.298 1.092 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.814 6.149 0.384 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.141 6.237 0.747 1.00 0.93 O ATOM 0 H TYR A 70 -10.685 4.519 -3.008 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.478 7.099 -2.335 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.424 4.616 -0.674 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.093 6.271 -0.200 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.680 7.141 -2.013 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.011 4.527 1.285 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.035 7.365 -1.351 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.360 4.747 1.940 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.286 5.740 1.579 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.318 6.278 -3.251 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.035 5.876 -3.727 1.00 0.19 C ATOM 1094 C LEU A 71 -5.031 6.168 -2.655 1.00 0.20 C ATOM 1095 O LEU A 71 -4.640 7.299 -2.421 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.662 6.593 -5.029 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.187 6.486 -5.439 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.724 5.034 -5.460 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.969 7.134 -6.798 1.00 0.52 C ATOM 0 H LEU A 71 -7.533 7.265 -3.395 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.051 4.810 -3.953 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.276 6.190 -5.835 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.919 7.648 -4.930 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.591 7.016 -4.697 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.675 4.991 -5.754 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.841 4.601 -4.467 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.325 4.471 -6.174 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.918 7.051 -7.076 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.583 6.630 -7.544 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.249 8.186 -6.748 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.633 5.130 -2.012 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.582 5.199 -1.069 1.00 0.21 C ATOM 1113 C PHE A 72 -2.311 5.017 -1.830 1.00 0.23 C ATOM 1114 O PHE A 72 -2.034 3.962 -2.397 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.736 4.128 -0.017 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.950 4.285 0.853 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.902 5.062 2.002 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.144 3.664 0.518 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -6.023 5.214 2.800 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.265 3.816 1.309 1.00 0.30 C ATOM 1121 CZ PHE A 72 -7.189 4.561 2.478 1.00 0.30 C ATOM 0 H PHE A 72 -5.034 4.199 -2.129 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.589 6.156 -0.547 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.779 3.156 -0.509 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.848 4.126 0.615 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.980 5.553 2.277 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.197 3.054 -0.372 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.981 5.845 3.675 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.199 3.357 1.019 1.00 0.30 H new ATOM 0 HZ PHE A 72 -8.045 4.627 3.133 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.564 6.051 -1.844 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.404 6.120 -2.676 1.00 0.26 C ATOM 1133 C GLU A 73 0.828 6.285 -1.847 1.00 0.20 C ATOM 1134 O GLU A 73 0.949 7.182 -1.012 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.521 7.208 -3.737 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.095 8.522 -3.244 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.217 9.535 -4.362 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.243 10.277 -4.605 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -2.277 9.582 -5.020 1.00 1.32 O ATOM 0 H GLU A 73 -1.731 6.884 -1.280 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.326 5.175 -3.213 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.468 7.395 -4.156 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.146 6.837 -4.549 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.076 8.348 -2.803 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.458 8.924 -2.456 1.00 0.59 H new ATOM 1146 N LEU A 74 1.721 5.380 -2.087 1.00 0.21 N ATOM 1147 CA LEU A 74 2.949 5.295 -1.377 1.00 0.21 C ATOM 1148 C LEU A 74 3.936 6.121 -2.090 1.00 0.20 C ATOM 1149 O LEU A 74 4.205 5.922 -3.276 1.00 0.25 O ATOM 1150 CB LEU A 74 3.511 3.881 -1.343 1.00 0.27 C ATOM 1151 CG LEU A 74 2.646 2.839 -0.641 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.405 3.261 0.787 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.333 2.651 -1.365 1.00 0.96 C ATOM 0 H LEU A 74 1.610 4.662 -2.802 1.00 0.21 H new ATOM 0 HA LEU A 74 2.762 5.622 -0.354 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.681 3.553 -2.369 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.484 3.909 -0.852 1.00 0.27 H new ATOM 0 HG LEU A 74 3.172 1.884 -0.649 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.787 2.516 1.287 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.359 3.349 1.306 1.00 0.85 H new ATOM 0 HD13 LEU A 74 1.895 4.224 0.801 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.734 1.903 -0.845 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.792 3.597 -1.388 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.524 2.317 -2.385 1.00 0.96 H new ATOM 1165 N HIS A 75 4.492 7.011 -1.379 1.00 0.18 N ATOM 1166 CA HIS A 75 5.631 7.676 -1.881 1.00 0.19 C ATOM 1167 C HIS A 75 6.704 7.245 -0.962 1.00 0.19 C ATOM 1168 O HIS A 75 6.875 7.794 0.122 1.00 0.19 O ATOM 1169 CB HIS A 75 5.465 9.201 -1.874 1.00 0.23 C ATOM 1170 CG HIS A 75 4.274 9.688 -2.642 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.474 10.727 -2.214 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.748 9.273 -3.818 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.507 10.924 -3.093 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.651 10.055 -4.073 1.00 0.94 N ATOM 0 H HIS A 75 4.185 7.301 -0.450 1.00 0.18 H new ATOM 0 HA HIS A 75 5.831 7.431 -2.924 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.384 9.543 -0.842 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.364 9.656 -2.290 1.00 0.23 H new ATOM 0 HD2 HIS A 75 4.123 8.474 -4.440 1.00 1.15 H new ATOM 0 HE1 HIS A 75 1.730 11.671 -3.020 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.044 9.977 -4.889 1.00 0.94 H new ATOM 1183 N ILE A 76 7.391 6.216 -1.360 1.00 0.21 N ATOM 1184 CA ILE A 76 8.449 5.733 -0.548 1.00 0.23 C ATOM 1185 C ILE A 76 9.737 5.915 -1.272 1.00 0.25 C ATOM 1186 O ILE A 76 10.169 5.125 -2.075 1.00 0.28 O ATOM 1187 CB ILE A 76 8.226 4.283 -0.162 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.855 4.150 0.481 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.322 3.793 0.787 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.437 2.725 0.723 1.00 0.52 C ATOM 0 H ILE A 76 7.236 5.706 -2.230 1.00 0.21 H new ATOM 0 HA ILE A 76 8.481 6.302 0.381 1.00 0.23 H new ATOM 0 HB ILE A 76 8.270 3.661 -1.056 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.855 4.686 1.430 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.115 4.633 -0.158 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.138 2.751 1.048 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.292 3.879 0.298 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.317 4.400 1.692 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.449 2.709 1.184 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.404 2.189 -0.226 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.155 2.243 1.387 1.00 0.52 H new ATOM 1202 N THR A 77 10.345 6.960 -0.912 1.00 0.24 N ATOM 1203 CA THR A 77 11.507 7.426 -1.519 1.00 0.26 C ATOM 1204 C THR A 77 12.577 7.372 -0.505 1.00 0.36 C ATOM 1205 O THR A 77 12.348 7.647 0.673 1.00 0.58 O ATOM 1206 CB THR A 77 11.315 8.848 -2.026 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.228 9.769 -0.929 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.040 8.914 -2.831 1.00 0.37 C ATOM 0 H THR A 77 10.027 7.547 -0.141 1.00 0.24 H new ATOM 0 HA THR A 77 11.765 6.812 -2.382 1.00 0.26 H new ATOM 0 HB THR A 77 12.170 9.121 -2.645 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.106 10.678 -1.274 1.00 0.41 H new ATOM 0 HG21 THR A 77 9.894 9.930 -3.199 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.107 8.228 -3.676 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.197 8.632 -2.201 1.00 0.37 H new ATOM 1216 N ASP A 78 13.692 6.950 -0.974 1.00 0.30 N ATOM 1217 CA ASP A 78 14.866 6.745 -0.145 1.00 0.45 C ATOM 1218 C ASP A 78 14.672 5.450 0.595 1.00 0.45 C ATOM 1219 O ASP A 78 14.487 5.370 1.812 1.00 0.70 O ATOM 1220 CB ASP A 78 15.073 7.920 0.785 1.00 0.61 C ATOM 1221 CG ASP A 78 16.105 7.689 1.871 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.306 7.587 1.542 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.723 7.640 3.062 1.00 2.12 O ATOM 0 H ASP A 78 13.838 6.728 -1.959 1.00 0.30 H new ATOM 0 HA ASP A 78 15.770 6.681 -0.750 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.373 8.786 0.195 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.121 8.168 1.253 1.00 0.61 H new ATOM 1228 N ALA A 79 14.616 4.442 -0.215 1.00 0.37 N ATOM 1229 CA ALA A 79 14.472 3.092 0.244 1.00 0.34 C ATOM 1230 C ALA A 79 15.807 2.635 0.760 1.00 0.38 C ATOM 1231 O ALA A 79 16.682 2.247 -0.012 1.00 0.40 O ATOM 1232 CB ALA A 79 13.973 2.186 -0.871 1.00 0.34 C ATOM 0 H ALA A 79 14.670 4.532 -1.230 1.00 0.37 H new ATOM 0 HA ALA A 79 13.730 3.045 1.041 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.873 1.168 -0.495 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.004 2.540 -1.221 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.684 2.200 -1.697 1.00 0.34 H new ATOM 1238 N GLN A 80 15.985 2.781 2.055 1.00 0.47 N ATOM 1239 CA GLN A 80 17.183 2.323 2.706 1.00 0.55 C ATOM 1240 C GLN A 80 17.395 0.851 2.362 1.00 0.43 C ATOM 1241 O GLN A 80 16.433 0.128 2.105 1.00 0.43 O ATOM 1242 CB GLN A 80 17.051 2.539 4.213 1.00 0.74 C ATOM 1243 CG GLN A 80 16.522 1.336 4.975 1.00 0.78 C ATOM 1244 CD GLN A 80 17.314 1.078 6.233 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.985 1.578 7.307 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.376 0.301 6.100 1.00 1.43 N ATOM 0 H GLN A 80 15.306 3.218 2.678 1.00 0.47 H new ATOM 0 HA GLN A 80 18.052 2.885 2.363 1.00 0.55 H new ATOM 0 HB2 GLN A 80 18.027 2.809 4.616 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.388 3.386 4.390 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.475 1.500 5.231 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.559 0.455 4.335 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.610 -0.092 5.188 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.961 0.094 6.909 1.00 1.43 H new ATOM 1255 N PRO A 81 18.637 0.375 2.337 1.00 0.42 N ATOM 1256 CA PRO A 81 18.906 -0.995 1.937 1.00 0.44 C ATOM 1257 C PRO A 81 18.375 -1.953 2.980 1.00 0.54 C ATOM 1258 O PRO A 81 18.224 -1.578 4.144 1.00 1.33 O ATOM 1259 CB PRO A 81 20.428 -1.055 1.876 1.00 0.50 C ATOM 1260 CG PRO A 81 20.874 -0.015 2.844 1.00 0.57 C ATOM 1261 CD PRO A 81 19.858 1.090 2.751 1.00 0.49 C ATOM 0 HA PRO A 81 18.435 -1.271 0.994 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.799 -2.042 2.153 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.795 -0.847 0.871 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.923 -0.417 3.856 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.871 0.348 2.596 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.725 1.599 3.706 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.150 1.848 2.024 1.00 0.49 H new ATOM 1269 N ALA A 82 18.084 -3.173 2.566 1.00 0.81 N ATOM 1270 CA ALA A 82 17.486 -4.153 3.454 1.00 0.88 C ATOM 1271 C ALA A 82 16.103 -3.694 3.913 1.00 0.77 C ATOM 1272 O ALA A 82 15.598 -4.154 4.933 1.00 0.91 O ATOM 1273 CB ALA A 82 18.391 -4.419 4.651 1.00 1.12 C ATOM 0 H ALA A 82 18.253 -3.509 1.618 1.00 0.81 H new ATOM 0 HA ALA A 82 17.369 -5.086 2.902 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.924 -5.156 5.304 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.352 -4.799 4.303 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.546 -3.492 5.203 1.00 1.12 H new ATOM 1279 N PHE A 83 15.480 -2.789 3.151 1.00 0.64 N ATOM 1280 CA PHE A 83 14.104 -2.410 3.429 1.00 0.68 C ATOM 1281 C PHE A 83 13.222 -3.391 2.718 1.00 0.76 C ATOM 1282 O PHE A 83 12.013 -3.488 2.944 1.00 1.24 O ATOM 1283 CB PHE A 83 13.802 -1.016 2.887 1.00 0.74 C ATOM 1284 CG PHE A 83 13.156 -0.091 3.869 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.484 -0.575 4.981 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.245 1.277 3.682 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.920 0.300 5.892 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.681 2.152 4.579 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.020 1.667 5.689 1.00 0.88 C ATOM 0 H PHE A 83 15.903 -2.316 2.352 1.00 0.64 H new ATOM 0 HA PHE A 83 13.935 -2.408 4.506 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.733 -0.566 2.542 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.152 -1.112 2.017 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.400 -1.640 5.137 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.766 1.663 2.818 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.403 -0.082 6.760 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.755 3.217 4.416 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.581 2.352 6.399 1.00 0.88 H new ATOM 1299 N THR A 84 13.866 -4.123 1.845 1.00 0.55 N ATOM 1300 CA THR A 84 13.250 -4.841 0.864 1.00 0.58 C ATOM 1301 C THR A 84 12.889 -6.181 1.197 1.00 0.80 C ATOM 1302 O THR A 84 13.529 -6.943 1.907 1.00 1.22 O ATOM 1303 CB THR A 84 14.041 -4.775 -0.344 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.440 -4.893 -0.048 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.643 -3.438 -0.906 1.00 1.17 C ATOM 0 H THR A 84 14.882 -4.210 1.835 1.00 0.55 H new ATOM 0 HA THR A 84 12.281 -4.365 0.712 1.00 0.58 H new ATOM 0 HB THR A 84 13.868 -5.584 -1.054 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.872 -5.454 -0.726 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.179 -3.261 -1.838 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.570 -3.429 -1.097 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.891 -2.654 -0.190 1.00 1.17 H new ATOM 1313 N GLY A 85 11.885 -6.430 0.515 1.00 0.87 N ATOM 1314 CA GLY A 85 10.952 -7.435 0.934 1.00 1.43 C ATOM 1315 C GLY A 85 9.615 -7.270 0.303 1.00 0.96 C ATOM 1316 O GLY A 85 9.483 -7.445 -0.894 1.00 1.29 O ATOM 0 H GLY A 85 11.650 -5.962 -0.360 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.348 -8.420 0.686 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.846 -7.398 2.018 1.00 1.43 H new ATOM 1320 N GLY A 86 8.635 -6.875 1.093 1.00 0.52 N ATOM 1321 CA GLY A 86 7.286 -6.898 0.605 1.00 0.52 C ATOM 1322 C GLY A 86 6.303 -6.166 1.477 1.00 0.40 C ATOM 1323 O GLY A 86 6.184 -6.406 2.670 1.00 0.43 O ATOM 0 H GLY A 86 8.750 -6.544 2.051 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.265 -6.461 -0.393 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.965 -7.935 0.506 1.00 0.52 H new ATOM 1327 N TYR A 87 5.632 -5.250 0.838 1.00 0.34 N ATOM 1328 CA TYR A 87 4.544 -4.485 1.409 1.00 0.28 C ATOM 1329 C TYR A 87 3.237 -5.260 1.195 1.00 0.30 C ATOM 1330 O TYR A 87 2.906 -5.616 0.063 1.00 0.39 O ATOM 1331 CB TYR A 87 4.467 -3.143 0.684 1.00 0.35 C ATOM 1332 CG TYR A 87 5.716 -2.297 0.803 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.951 -2.733 0.317 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.655 -1.045 1.383 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.074 -1.944 0.420 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.777 -0.257 1.488 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.981 -0.709 1.005 1.00 0.54 C ATOM 1338 OH TYR A 87 9.100 0.085 1.111 1.00 0.63 O ATOM 0 H TYR A 87 5.830 -5.001 -0.131 1.00 0.34 H new ATOM 0 HA TYR A 87 4.703 -4.321 2.475 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.265 -3.325 -0.372 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.622 -2.579 1.078 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.026 -3.705 -0.147 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.711 -0.679 1.760 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.022 -2.296 0.042 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.712 0.717 1.950 1.00 0.54 H new ATOM 0 HH TYR A 87 9.819 -0.420 1.545 1.00 0.63 H new ATOM 1348 N ARG A 88 2.494 -5.543 2.256 1.00 0.33 N ATOM 1349 CA ARG A 88 1.257 -6.294 2.117 1.00 0.36 C ATOM 1350 C ARG A 88 0.074 -5.363 2.272 1.00 0.36 C ATOM 1351 O ARG A 88 -0.240 -4.922 3.375 1.00 0.60 O ATOM 1352 CB ARG A 88 1.156 -7.415 3.158 1.00 0.42 C ATOM 1353 CG ARG A 88 2.112 -8.572 2.935 1.00 1.09 C ATOM 1354 CD ARG A 88 1.862 -9.681 3.946 1.00 1.23 C ATOM 1355 NE ARG A 88 0.436 -10.022 4.030 1.00 1.73 N ATOM 1356 CZ ARG A 88 -0.064 -11.238 3.808 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.740 -12.256 3.519 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -1.378 -11.441 3.884 1.00 3.15 N ATOM 0 H ARG A 88 2.723 -5.267 3.211 1.00 0.33 H new ATOM 0 HA ARG A 88 1.253 -6.747 1.126 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.341 -6.993 4.146 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.136 -7.799 3.161 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.990 -8.961 1.924 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.141 -8.221 3.020 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.433 -10.566 3.665 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.221 -9.368 4.927 1.00 1.23 H new ATOM 0 HE ARG A 88 -0.217 -9.277 4.275 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.748 -12.110 3.466 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.349 -13.183 3.351 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -2.001 -10.666 4.112 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -1.761 -12.371 3.714 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.568 -5.046 1.170 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.742 -4.209 1.217 1.00 0.27 C ATOM 1374 C CYS A 89 -2.947 -5.092 1.379 1.00 0.25 C ATOM 1375 O CYS A 89 -3.157 -6.027 0.608 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.873 -3.365 -0.032 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.844 -1.867 0.209 1.00 1.08 S ATOM 0 H CYS A 89 -0.298 -5.354 0.236 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.658 -3.523 2.060 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.878 -3.091 -0.381 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.333 -3.964 -0.818 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.048 -0.843 0.293 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.715 -4.809 2.391 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.770 -5.700 2.794 1.00 0.28 C ATOM 1385 C GLU A 90 -5.957 -4.899 3.314 1.00 0.26 C ATOM 1386 O GLU A 90 -5.900 -4.316 4.396 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.197 -6.622 3.864 1.00 0.35 C ATOM 1388 CG GLU A 90 -4.931 -7.931 4.058 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.170 -8.857 4.986 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.319 -9.632 4.501 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -4.396 -8.788 6.216 1.00 1.81 O ATOM 0 H GLU A 90 -3.632 -3.964 2.956 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.133 -6.294 1.955 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.159 -6.841 3.612 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.188 -6.086 4.813 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -5.923 -7.737 4.467 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.074 -8.417 3.093 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.019 -4.840 2.529 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.197 -4.076 2.906 1.00 0.22 C ATOM 1400 C VAL A 91 -9.295 -5.002 3.406 1.00 0.22 C ATOM 1401 O VAL A 91 -9.457 -6.124 2.923 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.722 -3.196 1.744 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.879 -4.005 0.466 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.030 -2.517 2.121 1.00 0.51 C ATOM 0 H VAL A 91 -7.090 -5.311 1.627 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.900 -3.405 3.712 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.980 -2.419 1.557 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.249 -3.359 -0.330 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.913 -4.420 0.177 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.587 -4.816 0.634 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.376 -1.906 1.288 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.780 -3.274 2.352 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.873 -1.884 2.994 1.00 0.51 H new ATOM 1414 N SER A 92 -10.031 -4.523 4.385 1.00 0.22 N ATOM 1415 CA SER A 92 -11.089 -5.292 4.999 1.00 0.25 C ATOM 1416 C SER A 92 -12.280 -4.381 5.246 1.00 0.26 C ATOM 1417 O SER A 92 -12.226 -3.476 6.076 1.00 0.30 O ATOM 1418 CB SER A 92 -10.594 -5.912 6.308 1.00 0.32 C ATOM 1419 OG SER A 92 -9.413 -6.672 6.096 1.00 1.18 O ATOM 0 H SER A 92 -9.912 -3.589 4.777 1.00 0.22 H new ATOM 0 HA SER A 92 -11.393 -6.103 4.337 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.399 -5.125 7.036 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.371 -6.550 6.729 1.00 0.32 H new ATOM 0 HG SER A 92 -9.607 -7.416 5.488 1.00 1.18 H new ATOM 1425 N THR A 93 -13.330 -4.595 4.483 1.00 0.28 N ATOM 1426 CA THR A 93 -14.515 -3.772 4.566 1.00 0.35 C ATOM 1427 C THR A 93 -15.732 -4.638 4.633 1.00 0.39 C ATOM 1428 O THR A 93 -15.684 -5.743 4.128 1.00 0.59 O ATOM 1429 CB THR A 93 -14.627 -2.884 3.349 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.329 -2.648 2.802 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.252 -1.581 3.739 1.00 0.57 C ATOM 0 H THR A 93 -13.386 -5.342 3.790 1.00 0.28 H new ATOM 0 HA THR A 93 -14.440 -3.157 5.463 1.00 0.35 H new ATOM 0 HB THR A 93 -15.247 -3.375 2.600 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.700 -2.449 3.527 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.333 -0.939 2.862 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.245 -1.762 4.149 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.633 -1.091 4.491 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.800 -4.102 5.239 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.118 -4.757 5.364 1.00 0.43 C ATOM 1441 C LYS A 94 -18.075 -6.290 5.323 1.00 0.42 C ATOM 1442 O LYS A 94 -18.192 -6.974 6.338 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.109 -4.226 4.299 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.517 -3.718 2.968 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.144 -4.810 1.976 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.256 -5.831 1.750 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.608 -5.231 1.572 1.00 0.65 N ATOM 0 H LYS A 94 -16.775 -3.177 5.668 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.468 -4.491 6.361 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.816 -5.023 4.070 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.680 -3.412 4.746 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.239 -3.050 2.497 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.628 -3.125 3.185 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.884 -4.351 1.022 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.254 -5.327 2.334 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.015 -6.425 0.868 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.283 -6.516 2.598 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.331 -5.899 1.906 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.671 -4.349 2.120 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.766 -5.025 0.565 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.884 -6.787 4.128 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.961 -8.180 3.813 1.00 0.40 C ATOM 1463 C ASP A 95 -17.017 -8.490 2.660 1.00 0.37 C ATOM 1464 O ASP A 95 -16.895 -9.634 2.250 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.394 -8.502 3.425 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.719 -9.979 3.426 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.963 -10.529 4.515 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.715 -10.595 2.342 1.00 1.05 O ATOM 0 H ASP A 95 -17.662 -6.205 3.320 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.669 -8.785 4.672 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.068 -7.992 4.113 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.589 -8.099 2.431 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.327 -7.458 2.146 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.409 -7.645 1.056 1.00 0.29 C ATOM 1475 C LYS A 96 -14.005 -7.591 1.567 1.00 0.27 C ATOM 1476 O LYS A 96 -13.652 -6.784 2.434 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.526 -6.650 -0.111 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.492 -7.073 -1.186 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.841 -6.974 -2.550 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.649 -7.905 -2.661 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.809 -7.557 -3.825 1.00 1.29 N ATOM 0 H LYS A 96 -16.400 -6.497 2.480 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.678 -8.619 0.647 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.837 -5.682 0.281 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.541 -6.512 -0.557 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.820 -8.097 -1.006 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -17.381 -6.443 -1.154 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -16.570 -7.220 -3.322 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -15.521 -5.947 -2.729 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.054 -7.849 -1.749 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.995 -8.934 -2.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -13.510 -8.427 -4.310 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.355 -6.964 -4.482 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -12.970 -7.034 -3.503 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.233 -8.459 1.016 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.849 -8.587 1.358 1.00 0.29 C ATOM 1497 C PHE A 97 -10.996 -8.658 0.108 1.00 0.32 C ATOM 1498 O PHE A 97 -11.357 -9.314 -0.868 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.668 -9.825 2.212 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.277 -9.996 2.750 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.852 -9.298 3.875 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.394 -10.861 2.132 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.571 -9.467 4.369 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.115 -11.031 2.618 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.701 -10.291 3.753 1.00 0.74 C ATOM 0 H PHE A 97 -13.545 -9.116 0.301 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.528 -7.712 1.923 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.367 -9.784 3.047 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.929 -10.703 1.621 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.529 -8.617 4.368 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.710 -11.411 1.258 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.265 -8.933 5.257 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.436 -11.721 2.139 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.691 -10.387 4.123 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.871 -7.978 0.157 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.910 -7.963 -0.940 1.00 0.43 C ATOM 1517 C ASP A 98 -7.520 -7.701 -0.380 1.00 0.36 C ATOM 1518 O ASP A 98 -7.369 -6.997 0.623 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.253 -6.893 -1.989 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.333 -7.315 -2.980 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.041 -8.137 -3.878 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.485 -6.850 -2.850 1.00 1.60 O ATOM 0 H ASP A 98 -9.590 -7.415 0.960 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.946 -8.933 -1.435 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.579 -5.988 -1.476 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.348 -6.638 -2.541 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.513 -8.267 -1.019 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.136 -8.092 -0.586 1.00 0.30 C ATOM 1529 C CYS A 99 -4.179 -8.201 -1.763 1.00 0.32 C ATOM 1530 O CYS A 99 -4.478 -8.844 -2.770 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.773 -9.117 0.489 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.113 -10.833 0.028 1.00 1.19 S ATOM 0 H CYS A 99 -6.623 -8.856 -1.845 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.043 -7.093 -0.159 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.713 -9.020 0.724 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.324 -8.882 1.399 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.769 -11.621 1.003 1.00 1.19 H new ATOM 1538 N SER A 100 -3.033 -7.560 -1.632 1.00 0.27 N ATOM 1539 CA SER A 100 -2.045 -7.529 -2.693 1.00 0.30 C ATOM 1540 C SER A 100 -0.646 -7.732 -2.133 1.00 0.31 C ATOM 1541 O SER A 100 -0.249 -7.078 -1.166 1.00 0.42 O ATOM 1542 CB SER A 100 -2.129 -6.192 -3.426 1.00 0.38 C ATOM 1543 OG SER A 100 -1.856 -5.113 -2.553 1.00 0.84 O ATOM 0 H SER A 100 -2.762 -7.049 -0.792 1.00 0.27 H new ATOM 0 HA SER A 100 -2.252 -8.340 -3.391 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.419 -6.182 -4.253 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.123 -6.072 -3.857 1.00 0.38 H new ATOM 0 HG SER A 100 -1.296 -5.425 -1.812 1.00 0.84 H new ATOM 1549 N ASN A 101 0.082 -8.647 -2.738 1.00 0.34 N ATOM 1550 CA ASN A 101 1.457 -8.918 -2.357 1.00 0.37 C ATOM 1551 C ASN A 101 2.418 -8.284 -3.357 1.00 0.42 C ATOM 1552 O ASN A 101 2.409 -8.617 -4.540 1.00 0.65 O ATOM 1553 CB ASN A 101 1.691 -10.436 -2.251 1.00 0.60 C ATOM 1554 CG ASN A 101 1.019 -11.260 -3.356 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.562 -12.375 -3.108 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.965 -10.745 -4.580 1.00 1.05 N ATOM 0 H ASN A 101 -0.260 -9.224 -3.507 1.00 0.34 H new ATOM 0 HA ASN A 101 1.647 -8.476 -1.379 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.764 -10.628 -2.273 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.325 -10.781 -1.284 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.538 -11.276 -5.339 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.351 -9.818 -4.761 1.00 1.05 H new ATOM 1563 N PHE A 102 3.223 -7.342 -2.899 1.00 0.31 N ATOM 1564 CA PHE A 102 4.171 -6.694 -3.774 1.00 0.38 C ATOM 1565 C PHE A 102 5.451 -6.416 -3.028 1.00 0.30 C ATOM 1566 O PHE A 102 5.442 -5.969 -1.879 1.00 0.37 O ATOM 1567 CB PHE A 102 3.588 -5.429 -4.386 1.00 0.57 C ATOM 1568 CG PHE A 102 2.952 -4.493 -3.414 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.640 -4.674 -3.041 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.655 -3.422 -2.899 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.037 -3.808 -2.167 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.055 -2.549 -2.028 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.744 -2.740 -1.659 1.00 0.86 C ATOM 0 H PHE A 102 3.236 -7.014 -1.933 1.00 0.31 H new ATOM 0 HA PHE A 102 4.397 -7.366 -4.602 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.382 -4.899 -4.912 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.846 -5.713 -5.132 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.080 -5.507 -3.441 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.686 -3.271 -3.184 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.008 -3.962 -1.877 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.612 -1.712 -1.632 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.270 -2.054 -0.973 1.00 0.86 H new ATOM 1583 N ASN A 103 6.535 -6.705 -3.688 1.00 0.24 N ATOM 1584 CA ASN A 103 7.830 -6.638 -3.117 1.00 0.25 C ATOM 1585 C ASN A 103 8.487 -5.336 -3.464 1.00 0.28 C ATOM 1586 O ASN A 103 8.189 -4.717 -4.467 1.00 0.49 O ATOM 1587 CB ASN A 103 8.688 -7.769 -3.663 1.00 0.33 C ATOM 1588 CG ASN A 103 8.168 -9.145 -3.306 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.587 -9.356 -2.240 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.371 -10.098 -4.198 1.00 1.25 N ATOM 0 H ASN A 103 6.532 -7.001 -4.664 1.00 0.24 H new ATOM 0 HA ASN A 103 7.734 -6.723 -2.035 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.745 -7.681 -4.748 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.703 -7.662 -3.281 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.043 -11.046 -4.015 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.856 -9.886 -5.070 1.00 1.25 H new ATOM 1597 N LEU A 104 9.412 -4.950 -2.656 1.00 0.23 N ATOM 1598 CA LEU A 104 10.290 -3.901 -3.001 1.00 0.24 C ATOM 1599 C LEU A 104 11.609 -4.559 -2.934 1.00 0.25 C ATOM 1600 O LEU A 104 11.848 -5.343 -2.016 1.00 0.37 O ATOM 1601 CB LEU A 104 10.197 -2.702 -2.040 1.00 0.27 C ATOM 1602 CG LEU A 104 11.438 -1.874 -1.920 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.515 -0.841 -3.019 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.585 -1.251 -0.532 1.00 0.30 C ATOM 0 H LEU A 104 9.577 -5.358 -1.736 1.00 0.23 H new ATOM 0 HA LEU A 104 10.065 -3.464 -3.974 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.382 -2.058 -2.369 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.931 -3.072 -1.050 1.00 0.27 H new ATOM 0 HG LEU A 104 12.288 -2.545 -2.045 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.427 -0.255 -2.905 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.523 -1.340 -3.988 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.650 -0.181 -2.959 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.500 -0.660 -0.494 1.00 0.30 H new ATOM 0 HD22 LEU A 104 10.729 -0.608 -0.329 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.632 -2.040 0.218 1.00 0.30 H new ATOM 1616 N THR A 105 12.422 -4.371 -3.913 1.00 0.23 N ATOM 1617 CA THR A 105 13.734 -4.907 -3.812 1.00 0.24 C ATOM 1618 C THR A 105 14.748 -3.808 -3.997 1.00 0.21 C ATOM 1619 O THR A 105 14.869 -3.212 -5.066 1.00 0.22 O ATOM 1620 CB THR A 105 13.977 -6.041 -4.816 1.00 0.28 C ATOM 1621 OG1 THR A 105 12.916 -7.005 -4.730 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.316 -6.726 -4.551 1.00 0.32 C ATOM 0 H THR A 105 12.211 -3.864 -4.772 1.00 0.23 H new ATOM 0 HA THR A 105 13.842 -5.338 -2.817 1.00 0.24 H new ATOM 0 HB THR A 105 14.000 -5.612 -5.818 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.076 -7.726 -5.374 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.465 -7.526 -5.276 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.122 -5.998 -4.644 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.318 -7.143 -3.544 1.00 0.32 H new ATOM 1630 N VAL A 106 15.449 -3.553 -2.926 1.00 0.23 N ATOM 1631 CA VAL A 106 16.358 -2.418 -2.861 1.00 0.23 C ATOM 1632 C VAL A 106 17.775 -2.884 -3.023 1.00 0.25 C ATOM 1633 O VAL A 106 18.336 -3.628 -2.217 1.00 0.28 O ATOM 1634 CB VAL A 106 16.193 -1.500 -1.598 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.286 -2.255 -0.303 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.150 -0.314 -1.646 1.00 0.33 C ATOM 0 H VAL A 106 15.414 -4.115 -2.075 1.00 0.23 H new ATOM 0 HA VAL A 106 16.083 -1.771 -3.694 1.00 0.23 H new ATOM 0 HB VAL A 106 15.178 -1.105 -1.632 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.164 -1.564 0.531 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.502 -3.011 -0.265 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.260 -2.739 -0.233 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.011 0.302 -0.758 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.177 -0.677 -1.679 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.947 0.282 -2.536 1.00 0.33 H new ATOM 1646 N HIS A 107 18.305 -2.441 -4.120 1.00 0.26 N ATOM 1647 CA HIS A 107 19.614 -2.811 -4.586 1.00 0.31 C ATOM 1648 C HIS A 107 20.648 -2.015 -3.847 1.00 0.34 C ATOM 1649 O HIS A 107 20.905 -0.848 -4.135 1.00 0.36 O ATOM 1650 CB HIS A 107 19.737 -2.581 -6.093 1.00 0.36 C ATOM 1651 CG HIS A 107 18.929 -3.544 -6.907 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.497 -4.505 -7.707 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.586 -3.706 -7.030 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.549 -5.213 -8.282 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.380 -4.756 -7.889 1.00 0.53 N ATOM 0 H HIS A 107 17.825 -1.789 -4.741 1.00 0.26 H new ATOM 0 HA HIS A 107 19.773 -3.872 -4.395 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.420 -1.564 -6.325 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.785 -2.662 -6.382 1.00 0.36 H new ATOM 0 HD1 HIS A 107 20.499 -4.648 -7.835 1.00 1.19 H new ATOM 0 HD2 HIS A 107 16.823 -3.118 -6.542 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.705 -6.035 -8.965 1.00 1.10 H new ATOM 1664 N GLU A 108 21.183 -2.666 -2.863 1.00 0.45 N ATOM 1665 CA GLU A 108 22.267 -2.136 -2.069 1.00 0.56 C ATOM 1666 C GLU A 108 23.589 -2.369 -2.784 1.00 0.71 C ATOM 1667 O GLU A 108 24.261 -1.429 -3.202 1.00 1.33 O ATOM 1668 CB GLU A 108 22.265 -2.814 -0.701 1.00 0.71 C ATOM 1669 CG GLU A 108 23.376 -2.354 0.220 1.00 0.87 C ATOM 1670 CD GLU A 108 23.408 -3.134 1.515 1.00 1.20 C ATOM 1671 OE1 GLU A 108 22.844 -4.245 1.559 1.00 1.66 O ATOM 1672 OE2 GLU A 108 23.999 -2.637 2.495 1.00 1.67 O ATOM 0 H GLU A 108 20.880 -3.597 -2.577 1.00 0.45 H new ATOM 0 HA GLU A 108 22.136 -1.063 -1.931 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.306 -2.628 -0.217 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.347 -3.892 -0.842 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.334 -2.460 -0.289 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.247 -1.294 0.440 1.00 0.87 H new ATOM 1679 N ALA A 109 23.939 -3.632 -2.953 1.00 1.29 N ATOM 1680 CA ALA A 109 25.166 -3.991 -3.632 1.00 1.54 C ATOM 1681 C ALA A 109 24.857 -4.741 -4.915 1.00 2.12 C ATOM 1682 O ALA A 109 24.751 -5.966 -4.907 1.00 2.78 O ATOM 1683 CB ALA A 109 26.061 -4.824 -2.728 1.00 2.44 C ATOM 0 H ALA A 109 23.388 -4.426 -2.628 1.00 1.29 H new ATOM 0 HA ALA A 109 25.700 -3.075 -3.884 1.00 1.54 H new ATOM 0 HB1 ALA A 109 26.977 -5.082 -3.260 1.00 2.44 H new ATOM 0 HB2 ALA A 109 26.309 -4.251 -1.834 1.00 2.44 H new ATOM 0 HB3 ALA A 109 25.539 -5.737 -2.441 1.00 2.44 H new ATOM 1689 N MET A 110 24.664 -3.981 -5.993 1.00 2.77 N ATOM 1690 CA MET A 110 24.416 -4.531 -7.329 1.00 3.92 C ATOM 1691 C MET A 110 23.004 -5.107 -7.430 1.00 4.80 C ATOM 1692 O MET A 110 22.128 -4.426 -8.002 1.00 5.41 O ATOM 1693 CB MET A 110 25.463 -5.590 -7.698 1.00 4.52 C ATOM 1694 CG MET A 110 25.628 -5.793 -9.195 1.00 5.33 C ATOM 1695 SD MET A 110 26.914 -6.992 -9.592 1.00 6.12 S ATOM 1696 CE MET A 110 27.120 -6.684 -11.342 1.00 6.92 C ATOM 1697 OXT MET A 110 22.762 -6.216 -6.917 1.00 5.23 O ATOM 0 H MET A 110 24.675 -2.961 -5.966 1.00 2.77 H new ATOM 0 HA MET A 110 24.501 -3.713 -8.044 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.424 -5.302 -7.272 1.00 4.52 H new ATOM 0 HB3 MET A 110 25.183 -6.539 -7.241 1.00 4.52 H new ATOM 0 HG2 MET A 110 24.681 -6.127 -9.620 1.00 5.33 H new ATOM 0 HG3 MET A 110 25.869 -4.839 -9.663 1.00 5.33 H new ATOM 0 HE1 MET A 110 27.886 -7.350 -11.741 1.00 6.92 H new ATOM 0 HE2 MET A 110 26.177 -6.866 -11.857 1.00 6.92 H new ATOM 0 HE3 MET A 110 27.423 -5.648 -11.496 1.00 6.92 H new TER 1707 MET A 110