USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 871 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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.968 X(o=-0.97,f=-1.5!) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.05! C(o=-2.1!,f=-8.5!) USER MOD Single : A 12 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-1.6) USER MOD Single : A 14 TYR OH : rot -114:sc= -1.96! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -25:sc= -10.8! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.0196 (180deg=-0.285) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 44 SER OG : rot -54:sc= -11.2! USER MOD Single : A 54 TYR OH : rot 105:sc= 0.766 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.34) USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.328) USER MOD Single : A 95 GLN : amide:sc= -3.65! C(o=-3.7!,f=-6.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -140:sc= -0.203 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.116 F(o=-1.6!,f=-0.12) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.500 -4.090 2.210 1.00 1.21 N ATOM 45 CA VAL A 4 7.635 -4.768 2.886 1.00 0.33 C ATOM 46 C VAL A 4 8.188 -5.909 2.020 1.00 0.67 C ATOM 47 O VAL A 4 8.074 -5.892 0.811 1.00 2.97 O ATOM 48 CB VAL A 4 7.169 -5.305 4.247 1.00 2.21 C ATOM 49 CG1 VAL A 4 6.088 -4.385 4.819 1.00 1.89 C ATOM 50 CG2 VAL A 4 6.588 -6.716 4.088 1.00 4.53 C ATOM 0 HA VAL A 4 8.438 -4.046 3.037 1.00 0.33 H new ATOM 0 HB VAL A 4 8.025 -5.339 4.922 1.00 2.21 H new ATOM 0 HG11 VAL A 4 5.758 -4.768 5.785 1.00 1.89 H new ATOM 0 HG12 VAL A 4 6.494 -3.381 4.946 1.00 1.89 H new ATOM 0 HG13 VAL A 4 5.241 -4.350 4.134 1.00 1.89 H new ATOM 0 HG21 VAL A 4 6.261 -7.086 5.060 1.00 4.53 H new ATOM 0 HG22 VAL A 4 5.738 -6.685 3.407 1.00 4.53 H new ATOM 0 HG23 VAL A 4 7.352 -7.381 3.685 1.00 4.53 H new ATOM 60 N LEU A 5 8.805 -6.892 2.631 1.00 1.30 N ATOM 61 CA LEU A 5 9.388 -8.021 1.843 1.00 0.72 C ATOM 62 C LEU A 5 8.988 -9.368 2.468 1.00 0.66 C ATOM 63 O LEU A 5 8.189 -9.422 3.381 1.00 0.87 O ATOM 64 CB LEU A 5 10.909 -7.873 1.830 1.00 0.67 C ATOM 65 CG LEU A 5 11.270 -6.386 1.853 1.00 0.73 C ATOM 66 CD1 LEU A 5 12.769 -6.228 2.108 1.00 0.92 C ATOM 67 CD2 LEU A 5 10.895 -5.746 0.507 1.00 0.65 C ATOM 0 H LEU A 5 8.929 -6.960 3.641 1.00 1.30 H new ATOM 0 HA LEU A 5 9.007 -7.995 0.822 1.00 0.72 H new ATOM 0 HB2 LEU A 5 11.343 -8.378 2.693 1.00 0.67 H new ATOM 0 HB3 LEU A 5 11.325 -8.347 0.941 1.00 0.67 H new ATOM 0 HG LEU A 5 10.718 -5.888 2.651 1.00 0.73 H new ATOM 0 HD11 LEU A 5 13.026 -5.169 2.124 1.00 0.92 H new ATOM 0 HD12 LEU A 5 13.024 -6.678 3.067 1.00 0.92 H new ATOM 0 HD13 LEU A 5 13.327 -6.724 1.314 1.00 0.92 H new ATOM 0 HD21 LEU A 5 11.152 -4.687 0.524 1.00 0.65 H new ATOM 0 HD22 LEU A 5 11.442 -6.240 -0.296 1.00 0.65 H new ATOM 0 HD23 LEU A 5 9.824 -5.857 0.337 1.00 0.65 H new ATOM 79 N GLU A 6 9.511 -10.465 1.960 1.00 0.47 N ATOM 80 CA GLU A 6 9.119 -11.804 2.511 1.00 0.57 C ATOM 81 C GLU A 6 10.324 -12.750 2.636 1.00 0.53 C ATOM 82 O GLU A 6 11.293 -12.648 1.910 1.00 0.38 O ATOM 83 CB GLU A 6 8.079 -12.443 1.590 1.00 0.60 C ATOM 84 CG GLU A 6 8.758 -12.865 0.284 1.00 0.47 C ATOM 85 CD GLU A 6 7.792 -13.709 -0.551 1.00 0.59 C ATOM 86 OE1 GLU A 6 7.321 -14.712 -0.045 1.00 1.72 O ATOM 87 OE2 GLU A 6 7.542 -13.336 -1.687 1.00 0.72 O ATOM 0 H GLU A 6 10.186 -10.490 1.195 1.00 0.47 H new ATOM 0 HA GLU A 6 8.709 -11.646 3.508 1.00 0.57 H new ATOM 0 HB2 GLU A 6 7.628 -13.308 2.076 1.00 0.60 H new ATOM 0 HB3 GLU A 6 7.274 -11.737 1.384 1.00 0.60 H new ATOM 0 HG2 GLU A 6 9.065 -11.983 -0.279 1.00 0.47 H new ATOM 0 HG3 GLU A 6 9.661 -13.436 0.500 1.00 0.47 H new ATOM 94 N ASN A 7 10.245 -13.678 3.561 1.00 0.71 N ATOM 95 CA ASN A 7 11.347 -14.664 3.772 1.00 0.77 C ATOM 96 C ASN A 7 11.129 -15.887 2.877 1.00 0.77 C ATOM 97 O ASN A 7 10.613 -16.900 3.305 1.00 0.83 O ATOM 98 CB ASN A 7 11.347 -15.128 5.229 1.00 0.93 C ATOM 99 CG ASN A 7 10.014 -15.803 5.562 1.00 1.03 C ATOM 100 OD1 ASN A 7 9.047 -15.659 4.842 1.00 1.77 O ATOM 101 ND2 ASN A 7 9.925 -16.543 6.635 1.00 0.79 N ATOM 0 H ASN A 7 9.449 -13.793 4.188 1.00 0.71 H new ATOM 0 HA ASN A 7 12.296 -14.187 3.527 1.00 0.77 H new ATOM 0 HB2 ASN A 7 12.169 -15.824 5.398 1.00 0.93 H new ATOM 0 HB3 ASN A 7 11.509 -14.277 5.891 1.00 0.93 H new ATOM 0 HD21 ASN A 7 9.043 -17.000 6.868 1.00 0.79 H new ATOM 0 HD22 ASN A 7 10.737 -16.664 7.240 1.00 0.79 H new ATOM 108 N ARG A 8 11.511 -15.796 1.640 1.00 0.72 N ATOM 109 CA ARG A 8 11.324 -16.948 0.703 1.00 0.73 C ATOM 110 C ARG A 8 12.346 -18.055 0.975 1.00 0.72 C ATOM 111 O ARG A 8 12.055 -19.222 0.852 1.00 0.78 O ATOM 112 CB ARG A 8 11.536 -16.479 -0.739 1.00 0.73 C ATOM 113 CG ARG A 8 11.551 -17.700 -1.668 1.00 0.82 C ATOM 114 CD ARG A 8 10.429 -17.577 -2.700 1.00 0.69 C ATOM 115 NE ARG A 8 9.938 -18.937 -3.062 1.00 2.00 N ATOM 116 CZ ARG A 8 8.882 -19.070 -3.815 1.00 2.50 C ATOM 117 NH1 ARG A 8 7.926 -18.184 -3.761 1.00 2.86 N ATOM 118 NH2 ARG A 8 8.779 -20.091 -4.622 1.00 2.68 N ATOM 0 H ARG A 8 11.948 -14.972 1.228 1.00 0.72 H new ATOM 0 HA ARG A 8 10.314 -17.331 0.853 1.00 0.73 H new ATOM 0 HB2 ARG A 8 10.741 -15.794 -1.032 1.00 0.73 H new ATOM 0 HB3 ARG A 8 12.475 -15.932 -0.822 1.00 0.73 H new ATOM 0 HG2 ARG A 8 12.515 -17.774 -2.172 1.00 0.82 H new ATOM 0 HG3 ARG A 8 11.425 -18.613 -1.086 1.00 0.82 H new ATOM 0 HD2 ARG A 8 9.612 -16.979 -2.296 1.00 0.69 H new ATOM 0 HD3 ARG A 8 10.792 -17.061 -3.589 1.00 0.69 H new ATOM 0 HE ARG A 8 10.428 -19.764 -2.721 1.00 2.00 H new ATOM 0 HH11 ARG A 8 8.005 -17.387 -3.130 1.00 2.86 H new ATOM 0 HH12 ARG A 8 7.100 -18.288 -4.350 1.00 2.86 H new ATOM 0 HH21 ARG A 8 9.525 -20.785 -4.664 1.00 2.68 H new ATOM 0 HH22 ARG A 8 7.953 -20.194 -5.211 1.00 2.68 H new ATOM 132 N ARG A 9 13.553 -17.694 1.279 1.00 0.62 N ATOM 133 CA ARG A 9 14.616 -18.721 1.485 1.00 0.57 C ATOM 134 C ARG A 9 14.328 -19.654 2.672 1.00 0.46 C ATOM 135 O ARG A 9 14.731 -20.797 2.660 1.00 0.42 O ATOM 136 CB ARG A 9 15.945 -18.005 1.728 1.00 0.55 C ATOM 137 CG ARG A 9 17.104 -18.973 1.492 1.00 0.59 C ATOM 138 CD ARG A 9 18.209 -18.696 2.511 1.00 0.70 C ATOM 139 NE ARG A 9 19.409 -19.512 2.175 1.00 1.02 N ATOM 140 CZ ARG A 9 20.113 -20.056 3.129 1.00 1.09 C ATOM 141 NH1 ARG A 9 20.054 -19.571 4.338 1.00 1.91 N ATOM 142 NH2 ARG A 9 20.875 -21.084 2.873 1.00 2.04 N ATOM 0 H ARG A 9 13.857 -16.728 1.396 1.00 0.62 H new ATOM 0 HA ARG A 9 14.650 -19.341 0.589 1.00 0.57 H new ATOM 0 HB2 ARG A 9 16.034 -17.147 1.061 1.00 0.55 H new ATOM 0 HB3 ARG A 9 15.981 -17.621 2.748 1.00 0.55 H new ATOM 0 HG2 ARG A 9 16.758 -20.002 1.585 1.00 0.59 H new ATOM 0 HG3 ARG A 9 17.490 -18.856 0.479 1.00 0.59 H new ATOM 0 HD2 ARG A 9 18.464 -17.636 2.508 1.00 0.70 H new ATOM 0 HD3 ARG A 9 17.861 -18.937 3.515 1.00 0.70 H new ATOM 0 HE ARG A 9 19.680 -19.645 1.201 1.00 1.02 H new ATOM 0 HH11 ARG A 9 19.458 -18.767 4.537 1.00 1.91 H new ATOM 0 HH12 ARG A 9 20.604 -19.995 5.085 1.00 1.91 H new ATOM 0 HH21 ARG A 9 20.920 -21.462 1.927 1.00 2.04 H new ATOM 0 HH22 ARG A 9 21.425 -21.509 3.619 1.00 2.04 H new ATOM 156 N ALA A 10 13.690 -19.185 3.708 1.00 0.49 N ATOM 157 CA ALA A 10 13.442 -20.063 4.886 1.00 0.41 C ATOM 158 C ALA A 10 12.110 -20.797 4.775 1.00 0.52 C ATOM 159 O ALA A 10 12.031 -21.987 5.011 1.00 0.43 O ATOM 160 CB ALA A 10 13.460 -19.213 6.164 1.00 0.55 C ATOM 0 H ALA A 10 13.330 -18.234 3.790 1.00 0.49 H new ATOM 0 HA ALA A 10 14.231 -20.814 4.921 1.00 0.41 H new ATOM 0 HB1 ALA A 10 13.279 -19.852 7.028 1.00 0.55 H new ATOM 0 HB2 ALA A 10 14.432 -18.731 6.267 1.00 0.55 H new ATOM 0 HB3 ALA A 10 12.682 -18.452 6.106 1.00 0.55 H new ATOM 166 N ARG A 11 11.065 -20.120 4.410 1.00 0.72 N ATOM 167 CA ARG A 11 9.762 -20.819 4.285 1.00 0.84 C ATOM 168 C ARG A 11 9.831 -21.712 3.056 1.00 0.83 C ATOM 169 O ARG A 11 9.169 -22.727 2.960 1.00 0.89 O ATOM 170 CB ARG A 11 8.636 -19.794 4.112 1.00 1.03 C ATOM 171 CG ARG A 11 7.425 -20.208 4.954 1.00 0.51 C ATOM 172 CD ARG A 11 7.783 -20.135 6.441 1.00 2.06 C ATOM 173 NE ARG A 11 6.535 -20.129 7.256 1.00 2.83 N ATOM 174 CZ ARG A 11 5.451 -19.576 6.785 1.00 1.81 C ATOM 175 NH1 ARG A 11 4.629 -20.275 6.052 1.00 1.81 N ATOM 176 NH2 ARG A 11 5.189 -18.326 7.050 1.00 2.44 N ATOM 0 H ARG A 11 11.054 -19.123 4.194 1.00 0.72 H new ATOM 0 HA ARG A 11 9.560 -21.409 5.179 1.00 0.84 H new ATOM 0 HB2 ARG A 11 8.981 -18.806 4.416 1.00 1.03 H new ATOM 0 HB3 ARG A 11 8.354 -19.724 3.062 1.00 1.03 H new ATOM 0 HG2 ARG A 11 6.580 -19.553 4.741 1.00 0.51 H new ATOM 0 HG3 ARG A 11 7.117 -21.221 4.693 1.00 0.51 H new ATOM 0 HD2 ARG A 11 8.406 -20.986 6.718 1.00 2.06 H new ATOM 0 HD3 ARG A 11 8.365 -19.235 6.642 1.00 2.06 H new ATOM 0 HE ARG A 11 6.528 -20.557 8.182 1.00 2.83 H new ATOM 0 HH11 ARG A 11 4.834 -21.253 5.847 1.00 1.81 H new ATOM 0 HH12 ARG A 11 3.781 -19.844 5.683 1.00 1.81 H new ATOM 0 HH21 ARG A 11 5.831 -17.781 7.625 1.00 2.44 H new ATOM 0 HH22 ARG A 11 4.342 -17.893 6.682 1.00 2.44 H new ATOM 190 N HIS A 12 10.632 -21.322 2.110 1.00 0.80 N ATOM 191 CA HIS A 12 10.763 -22.119 0.861 1.00 0.86 C ATOM 192 C HIS A 12 11.950 -23.078 0.933 1.00 0.74 C ATOM 193 O HIS A 12 11.891 -24.183 0.436 1.00 0.82 O ATOM 194 CB HIS A 12 10.957 -21.181 -0.330 1.00 0.93 C ATOM 195 CG HIS A 12 10.537 -21.884 -1.594 1.00 1.07 C ATOM 196 ND1 HIS A 12 9.267 -22.421 -1.755 1.00 1.86 N ATOM 197 CD2 HIS A 12 11.205 -22.144 -2.764 1.00 1.76 C ATOM 198 CE1 HIS A 12 9.214 -22.974 -2.982 1.00 1.65 C ATOM 199 NE2 HIS A 12 10.368 -22.832 -3.639 1.00 1.44 N ATOM 0 H HIS A 12 11.206 -20.480 2.147 1.00 0.80 H new ATOM 0 HA HIS A 12 9.850 -22.703 0.741 1.00 0.86 H new ATOM 0 HB2 HIS A 12 10.368 -20.274 -0.192 1.00 0.93 H new ATOM 0 HB3 HIS A 12 12.001 -20.876 -0.400 1.00 0.93 H new ATOM 0 HD2 HIS A 12 12.225 -21.858 -2.974 1.00 1.76 H new ATOM 0 HE1 HIS A 12 8.344 -23.472 -3.385 1.00 1.65 H new ATOM 0 HE2 HIS A 12 10.589 -23.158 -4.580 1.00 1.44 H new ATOM 207 N ASP A 13 13.058 -22.636 1.464 1.00 0.58 N ATOM 208 CA ASP A 13 14.258 -23.515 1.454 1.00 0.52 C ATOM 209 C ASP A 13 14.716 -24.001 2.835 1.00 0.35 C ATOM 210 O ASP A 13 15.237 -25.094 2.932 1.00 0.37 O ATOM 211 CB ASP A 13 15.410 -22.758 0.791 1.00 0.52 C ATOM 212 CG ASP A 13 16.261 -23.730 -0.029 1.00 0.83 C ATOM 213 OD1 ASP A 13 16.188 -24.919 0.234 1.00 0.69 O ATOM 214 OD2 ASP A 13 16.972 -23.268 -0.908 1.00 1.24 O ATOM 0 H ASP A 13 13.182 -21.721 1.897 1.00 0.58 H new ATOM 0 HA ASP A 13 13.973 -24.411 0.902 1.00 0.52 H new ATOM 0 HB2 ASP A 13 15.018 -21.971 0.147 1.00 0.52 H new ATOM 0 HB3 ASP A 13 16.024 -22.273 1.550 1.00 0.52 H new ATOM 219 N TYR A 14 14.611 -23.250 3.906 1.00 0.22 N ATOM 220 CA TYR A 14 15.169 -23.846 5.163 1.00 0.09 C ATOM 221 C TYR A 14 14.447 -23.434 6.466 1.00 0.11 C ATOM 222 O TYR A 14 13.831 -22.392 6.569 1.00 0.20 O ATOM 223 CB TYR A 14 16.654 -23.467 5.265 1.00 0.15 C ATOM 224 CG TYR A 14 17.274 -24.364 6.289 1.00 0.19 C ATOM 225 CD1 TYR A 14 17.260 -23.964 7.614 1.00 0.20 C ATOM 226 CD2 TYR A 14 17.799 -25.618 5.931 1.00 0.25 C ATOM 227 CE1 TYR A 14 17.750 -24.821 8.605 1.00 0.28 C ATOM 228 CE2 TYR A 14 18.302 -26.464 6.917 1.00 0.32 C ATOM 229 CZ TYR A 14 18.264 -26.074 8.255 1.00 0.34 C ATOM 230 OH TYR A 14 18.721 -26.941 9.225 1.00 0.42 O ATOM 0 H TYR A 14 14.197 -22.320 3.970 1.00 0.22 H new ATOM 0 HA TYR A 14 15.018 -24.922 5.079 1.00 0.09 H new ATOM 0 HB2 TYR A 14 17.148 -23.586 4.301 1.00 0.15 H new ATOM 0 HB3 TYR A 14 16.765 -22.422 5.553 1.00 0.15 H new ATOM 0 HD1 TYR A 14 16.872 -22.993 7.882 1.00 0.20 H new ATOM 0 HD2 TYR A 14 17.812 -25.924 4.895 1.00 0.25 H new ATOM 0 HE1 TYR A 14 17.731 -24.515 9.641 1.00 0.28 H new ATOM 0 HE2 TYR A 14 18.721 -27.421 6.645 1.00 0.32 H new ATOM 0 HH TYR A 14 19.689 -27.061 9.127 1.00 0.42 H new ATOM 240 N GLU A 15 14.581 -24.284 7.479 1.00 0.16 N ATOM 241 CA GLU A 15 13.983 -24.035 8.842 1.00 0.27 C ATOM 242 C GLU A 15 14.963 -23.168 9.626 1.00 0.20 C ATOM 243 O GLU A 15 16.110 -23.461 9.708 1.00 0.20 O ATOM 244 CB GLU A 15 13.845 -25.366 9.569 1.00 0.39 C ATOM 245 CG GLU A 15 13.630 -25.101 11.058 1.00 0.47 C ATOM 246 CD GLU A 15 13.366 -26.423 11.778 1.00 0.23 C ATOM 247 OE1 GLU A 15 14.251 -27.263 11.776 1.00 0.38 O ATOM 248 OE2 GLU A 15 12.284 -26.572 12.322 1.00 0.20 O ATOM 0 H GLU A 15 15.095 -25.162 7.409 1.00 0.16 H new ATOM 0 HA GLU A 15 13.010 -23.552 8.752 1.00 0.27 H new ATOM 0 HB2 GLU A 15 13.006 -25.931 9.163 1.00 0.39 H new ATOM 0 HB3 GLU A 15 14.740 -25.971 9.420 1.00 0.39 H new ATOM 0 HG2 GLU A 15 14.508 -24.613 11.482 1.00 0.47 H new ATOM 0 HG3 GLU A 15 12.788 -24.423 11.200 1.00 0.47 H new ATOM 255 N ILE A 16 14.584 -22.078 10.162 1.00 0.28 N ATOM 256 CA ILE A 16 15.644 -21.257 10.799 1.00 0.18 C ATOM 257 C ILE A 16 16.032 -21.613 12.248 1.00 0.20 C ATOM 258 O ILE A 16 15.250 -21.605 13.176 1.00 0.27 O ATOM 259 CB ILE A 16 15.261 -19.808 10.615 1.00 0.24 C ATOM 260 CG1 ILE A 16 15.578 -19.465 9.150 1.00 0.26 C ATOM 261 CG2 ILE A 16 16.052 -18.912 11.568 1.00 0.22 C ATOM 262 CD1 ILE A 16 17.042 -19.790 8.842 1.00 0.19 C ATOM 0 H ILE A 16 13.632 -21.714 10.198 1.00 0.28 H new ATOM 0 HA ILE A 16 16.580 -21.487 10.290 1.00 0.18 H new ATOM 0 HB ILE A 16 14.207 -19.646 10.839 1.00 0.24 H new ATOM 0 HG12 ILE A 16 14.924 -20.030 8.486 1.00 0.26 H new ATOM 0 HG13 ILE A 16 15.385 -18.408 8.965 1.00 0.26 H new ATOM 0 HG21 ILE A 16 15.759 -17.873 11.417 1.00 0.22 H new ATOM 0 HG22 ILE A 16 15.843 -19.202 12.598 1.00 0.22 H new ATOM 0 HG23 ILE A 16 17.118 -19.021 11.369 1.00 0.22 H new ATOM 0 HD11 ILE A 16 17.258 -19.544 7.802 1.00 0.19 H new ATOM 0 HD12 ILE A 16 17.690 -19.206 9.495 1.00 0.19 H new ATOM 0 HD13 ILE A 16 17.222 -20.852 9.009 1.00 0.19 H new ATOM 274 N LEU A 17 17.311 -21.910 12.377 1.00 0.16 N ATOM 275 CA LEU A 17 17.990 -22.275 13.655 1.00 0.25 C ATOM 276 C LEU A 17 18.041 -21.088 14.646 1.00 0.25 C ATOM 277 O LEU A 17 17.355 -21.076 15.652 1.00 0.33 O ATOM 278 CB LEU A 17 19.429 -22.610 13.251 1.00 0.27 C ATOM 279 CG LEU A 17 19.945 -23.877 13.907 1.00 0.37 C ATOM 280 CD1 LEU A 17 21.411 -24.051 13.479 1.00 0.41 C ATOM 281 CD2 LEU A 17 19.865 -23.740 15.429 1.00 0.54 C ATOM 0 H LEU A 17 17.948 -21.910 11.581 1.00 0.16 H new ATOM 0 HA LEU A 17 17.459 -23.089 14.147 1.00 0.25 H new ATOM 0 HB2 LEU A 17 19.481 -22.720 12.168 1.00 0.27 H new ATOM 0 HB3 LEU A 17 20.080 -21.777 13.518 1.00 0.27 H new ATOM 0 HG LEU A 17 19.349 -24.738 13.606 1.00 0.37 H new ATOM 0 HD11 LEU A 17 21.818 -24.955 13.933 1.00 0.41 H new ATOM 0 HD12 LEU A 17 21.466 -24.134 12.394 1.00 0.41 H new ATOM 0 HD13 LEU A 17 21.991 -23.188 13.807 1.00 0.41 H new ATOM 0 HD21 LEU A 17 20.236 -24.652 15.896 1.00 0.54 H new ATOM 0 HD22 LEU A 17 20.472 -22.894 15.751 1.00 0.54 H new ATOM 0 HD23 LEU A 17 18.829 -23.576 15.726 1.00 0.54 H new ATOM 293 N GLU A 18 18.884 -20.105 14.376 1.00 0.22 N ATOM 294 CA GLU A 18 19.026 -18.929 15.312 1.00 0.24 C ATOM 295 C GLU A 18 18.402 -17.676 14.676 1.00 0.23 C ATOM 296 O GLU A 18 18.450 -17.498 13.484 1.00 0.30 O ATOM 297 CB GLU A 18 20.524 -18.686 15.628 1.00 0.26 C ATOM 298 CG GLU A 18 20.972 -19.638 16.735 1.00 1.50 C ATOM 299 CD GLU A 18 20.018 -19.529 17.928 1.00 0.53 C ATOM 300 OE1 GLU A 18 19.542 -18.435 18.181 1.00 1.52 O ATOM 301 OE2 GLU A 18 19.780 -20.541 18.566 1.00 1.34 O ATOM 0 H GLU A 18 19.479 -20.067 13.548 1.00 0.22 H new ATOM 0 HA GLU A 18 18.503 -19.145 16.243 1.00 0.24 H new ATOM 0 HB2 GLU A 18 21.126 -18.843 14.733 1.00 0.26 H new ATOM 0 HB3 GLU A 18 20.678 -17.652 15.938 1.00 0.26 H new ATOM 0 HG2 GLU A 18 20.988 -20.662 16.362 1.00 1.50 H new ATOM 0 HG3 GLU A 18 21.988 -19.396 17.047 1.00 1.50 H new ATOM 308 N THR A 19 17.782 -16.819 15.456 1.00 0.19 N ATOM 309 CA THR A 19 17.133 -15.598 14.855 1.00 0.19 C ATOM 310 C THR A 19 17.420 -14.310 15.664 1.00 0.15 C ATOM 311 O THR A 19 17.594 -14.355 16.866 1.00 0.19 O ATOM 312 CB THR A 19 15.625 -15.826 14.815 1.00 0.24 C ATOM 313 OG1 THR A 19 15.225 -16.513 15.994 1.00 0.81 O ATOM 314 CG2 THR A 19 15.272 -16.665 13.588 1.00 0.72 C ATOM 0 H THR A 19 17.696 -16.906 16.469 1.00 0.19 H new ATOM 0 HA THR A 19 17.548 -15.456 13.857 1.00 0.19 H new ATOM 0 HB THR A 19 15.108 -14.868 14.758 1.00 0.24 H new ATOM 0 HG1 THR A 19 14.256 -16.660 15.974 1.00 0.81 H new ATOM 0 HG21 THR A 19 14.195 -16.829 13.557 1.00 0.72 H new ATOM 0 HG22 THR A 19 15.585 -16.140 12.686 1.00 0.72 H new ATOM 0 HG23 THR A 19 15.784 -17.626 13.644 1.00 0.72 H new ATOM 322 N TYR A 20 17.391 -13.150 15.028 1.00 0.27 N ATOM 323 CA TYR A 20 17.577 -11.866 15.794 1.00 0.33 C ATOM 324 C TYR A 20 16.424 -10.927 15.520 1.00 0.31 C ATOM 325 O TYR A 20 15.692 -11.050 14.557 1.00 0.29 O ATOM 326 CB TYR A 20 18.935 -11.153 15.564 1.00 0.31 C ATOM 327 CG TYR A 20 19.187 -10.692 14.133 1.00 0.22 C ATOM 328 CD1 TYR A 20 18.180 -10.135 13.313 1.00 0.17 C ATOM 329 CD2 TYR A 20 20.486 -10.827 13.634 1.00 0.36 C ATOM 330 CE1 TYR A 20 18.495 -9.734 11.990 1.00 0.14 C ATOM 331 CE2 TYR A 20 20.802 -10.434 12.335 1.00 0.35 C ATOM 332 CZ TYR A 20 19.808 -9.890 11.506 1.00 0.18 C ATOM 333 OH TYR A 20 20.118 -9.500 10.220 1.00 0.21 O ATOM 0 H TYR A 20 17.248 -13.040 14.024 1.00 0.27 H new ATOM 0 HA TYR A 20 17.590 -12.153 16.846 1.00 0.33 H new ATOM 0 HB2 TYR A 20 18.990 -10.287 16.224 1.00 0.31 H new ATOM 0 HB3 TYR A 20 19.738 -11.829 15.858 1.00 0.31 H new ATOM 0 HD1 TYR A 20 17.176 -10.015 13.692 1.00 0.17 H new ATOM 0 HD2 TYR A 20 21.257 -11.243 14.266 1.00 0.36 H new ATOM 0 HE1 TYR A 20 17.730 -9.310 11.356 1.00 0.14 H new ATOM 0 HE2 TYR A 20 21.811 -10.548 11.966 1.00 0.35 H new ATOM 0 HH TYR A 20 19.309 -9.522 9.667 1.00 0.21 H new ATOM 343 N GLU A 21 16.239 -10.023 16.415 1.00 0.40 N ATOM 344 CA GLU A 21 15.128 -9.059 16.324 1.00 0.44 C ATOM 345 C GLU A 21 15.695 -7.660 16.082 1.00 0.31 C ATOM 346 O GLU A 21 16.358 -7.094 16.928 1.00 0.49 O ATOM 347 CB GLU A 21 14.404 -9.123 17.657 1.00 0.68 C ATOM 348 CG GLU A 21 12.920 -9.408 17.426 1.00 0.83 C ATOM 349 CD GLU A 21 12.141 -9.125 18.713 1.00 1.26 C ATOM 350 OE1 GLU A 21 12.773 -9.002 19.750 1.00 1.85 O ATOM 351 OE2 GLU A 21 10.927 -9.035 18.641 1.00 2.25 O ATOM 0 H GLU A 21 16.832 -9.906 17.237 1.00 0.40 H new ATOM 0 HA GLU A 21 14.448 -9.289 15.504 1.00 0.44 H new ATOM 0 HB2 GLU A 21 14.841 -9.902 18.282 1.00 0.68 H new ATOM 0 HB3 GLU A 21 14.524 -8.181 18.192 1.00 0.68 H new ATOM 0 HG2 GLU A 21 12.541 -8.787 16.615 1.00 0.83 H new ATOM 0 HG3 GLU A 21 12.780 -10.446 17.124 1.00 0.83 H new ATOM 358 N ALA A 22 15.466 -7.111 14.921 1.00 0.15 N ATOM 359 CA ALA A 22 16.019 -5.764 14.609 1.00 0.06 C ATOM 360 C ALA A 22 14.895 -4.755 14.381 1.00 0.11 C ATOM 361 O ALA A 22 13.745 -5.106 14.205 1.00 0.22 O ATOM 362 CB ALA A 22 16.874 -5.850 13.346 1.00 0.21 C ATOM 0 H ALA A 22 14.919 -7.538 14.174 1.00 0.15 H new ATOM 0 HA ALA A 22 16.623 -5.433 15.454 1.00 0.06 H new ATOM 0 HB1 ALA A 22 17.281 -4.866 13.114 1.00 0.21 H new ATOM 0 HB2 ALA A 22 17.692 -6.552 13.508 1.00 0.21 H new ATOM 0 HB3 ALA A 22 16.260 -6.194 12.514 1.00 0.21 H new ATOM 368 N GLY A 23 15.239 -3.497 14.368 1.00 0.10 N ATOM 369 CA GLY A 23 14.228 -2.434 14.134 1.00 0.08 C ATOM 370 C GLY A 23 14.775 -1.521 13.047 1.00 0.09 C ATOM 371 O GLY A 23 15.661 -0.723 13.285 1.00 0.09 O ATOM 0 H GLY A 23 16.190 -3.159 14.512 1.00 0.10 H new ATOM 0 HA2 GLY A 23 13.277 -2.869 13.828 1.00 0.08 H new ATOM 0 HA3 GLY A 23 14.042 -1.873 15.050 1.00 0.08 H new ATOM 375 N ILE A 24 14.300 -1.658 11.844 1.00 0.10 N ATOM 376 CA ILE A 24 14.859 -0.819 10.744 1.00 0.11 C ATOM 377 C ILE A 24 13.954 0.389 10.544 1.00 0.12 C ATOM 378 O ILE A 24 12.812 0.273 10.164 1.00 0.13 O ATOM 379 CB ILE A 24 14.905 -1.650 9.459 1.00 0.13 C ATOM 380 CG1 ILE A 24 15.970 -2.740 9.569 1.00 0.13 C ATOM 381 CG2 ILE A 24 15.254 -0.743 8.283 1.00 0.15 C ATOM 382 CD1 ILE A 24 16.196 -3.072 11.036 1.00 0.13 C ATOM 0 H ILE A 24 13.559 -2.304 11.573 1.00 0.10 H new ATOM 0 HA ILE A 24 15.866 -0.485 10.994 1.00 0.11 H new ATOM 0 HB ILE A 24 13.930 -2.112 9.306 1.00 0.13 H new ATOM 0 HG12 ILE A 24 15.653 -3.631 9.027 1.00 0.13 H new ATOM 0 HG13 ILE A 24 16.901 -2.403 9.112 1.00 0.13 H new ATOM 0 HG21 ILE A 24 15.287 -1.332 7.367 1.00 0.15 H new ATOM 0 HG22 ILE A 24 14.497 0.035 8.187 1.00 0.15 H new ATOM 0 HG23 ILE A 24 16.227 -0.283 8.454 1.00 0.15 H new ATOM 0 HD11 ILE A 24 16.955 -3.850 11.120 1.00 0.13 H new ATOM 0 HD12 ILE A 24 16.531 -2.179 11.564 1.00 0.13 H new ATOM 0 HD13 ILE A 24 15.264 -3.426 11.477 1.00 0.13 H new ATOM 394 N ALA A 25 14.457 1.557 10.804 1.00 0.12 N ATOM 395 CA ALA A 25 13.594 2.773 10.627 1.00 0.13 C ATOM 396 C ALA A 25 13.775 3.365 9.242 1.00 0.06 C ATOM 397 O ALA A 25 14.664 3.010 8.493 1.00 0.09 O ATOM 398 CB ALA A 25 13.881 3.844 11.653 1.00 0.26 C ATOM 0 H ALA A 25 15.409 1.732 11.126 1.00 0.12 H new ATOM 0 HA ALA A 25 12.566 2.437 10.762 1.00 0.13 H new ATOM 0 HB1 ALA A 25 13.229 4.700 11.478 1.00 0.26 H new ATOM 0 HB2 ALA A 25 13.700 3.448 12.652 1.00 0.26 H new ATOM 0 HB3 ALA A 25 14.922 4.158 11.570 1.00 0.26 H new ATOM 404 N LEU A 26 12.873 4.226 8.894 1.00 0.18 N ATOM 405 CA LEU A 26 12.868 4.839 7.553 1.00 0.35 C ATOM 406 C LEU A 26 12.962 6.362 7.589 1.00 0.45 C ATOM 407 O LEU A 26 12.478 7.008 8.499 1.00 0.41 O ATOM 408 CB LEU A 26 11.547 4.464 6.904 1.00 0.46 C ATOM 409 CG LEU A 26 11.129 3.067 7.367 1.00 1.22 C ATOM 410 CD1 LEU A 26 10.490 3.124 8.766 1.00 2.01 C ATOM 411 CD2 LEU A 26 10.110 2.539 6.377 1.00 2.64 C ATOM 0 H LEU A 26 12.117 4.538 9.504 1.00 0.18 H new ATOM 0 HA LEU A 26 13.738 4.477 7.006 1.00 0.35 H new ATOM 0 HB2 LEU A 26 10.780 5.191 7.170 1.00 0.46 H new ATOM 0 HB3 LEU A 26 11.644 4.485 5.819 1.00 0.46 H new ATOM 0 HG LEU A 26 12.005 2.420 7.417 1.00 1.22 H new ATOM 0 HD11 LEU A 26 10.201 2.120 9.075 1.00 2.01 H new ATOM 0 HD12 LEU A 26 11.209 3.530 9.478 1.00 2.01 H new ATOM 0 HD13 LEU A 26 9.608 3.763 8.737 1.00 2.01 H new ATOM 0 HD21 LEU A 26 9.791 1.542 6.680 1.00 2.64 H new ATOM 0 HD22 LEU A 26 9.247 3.204 6.354 1.00 2.64 H new ATOM 0 HD23 LEU A 26 10.558 2.491 5.385 1.00 2.64 H new ATOM 423 N LYS A 27 13.475 6.937 6.539 1.00 0.57 N ATOM 424 CA LYS A 27 13.480 8.409 6.429 1.00 0.65 C ATOM 425 C LYS A 27 12.047 8.755 5.987 1.00 0.66 C ATOM 426 O LYS A 27 11.194 7.891 5.975 1.00 0.64 O ATOM 427 CB LYS A 27 14.525 8.869 5.392 1.00 0.79 C ATOM 428 CG LYS A 27 13.855 9.229 4.061 1.00 1.70 C ATOM 429 CD LYS A 27 14.932 9.586 3.031 1.00 1.65 C ATOM 430 CE LYS A 27 15.104 11.106 2.985 1.00 2.62 C ATOM 431 NZ LYS A 27 16.257 11.455 2.108 1.00 3.76 N ATOM 0 H LYS A 27 13.892 6.442 5.751 1.00 0.57 H new ATOM 0 HA LYS A 27 13.750 8.908 7.360 1.00 0.65 H new ATOM 0 HB2 LYS A 27 15.068 9.733 5.776 1.00 0.79 H new ATOM 0 HB3 LYS A 27 15.257 8.078 5.232 1.00 0.79 H new ATOM 0 HG2 LYS A 27 13.257 8.391 3.703 1.00 1.70 H new ATOM 0 HG3 LYS A 27 13.175 10.069 4.199 1.00 1.70 H new ATOM 0 HD2 LYS A 27 15.876 9.110 3.295 1.00 1.65 H new ATOM 0 HD3 LYS A 27 14.650 9.211 2.047 1.00 1.65 H new ATOM 0 HE2 LYS A 27 14.194 11.573 2.609 1.00 2.62 H new ATOM 0 HE3 LYS A 27 15.269 11.494 3.990 1.00 2.62 H new ATOM 0 HZ1 LYS A 27 16.371 12.488 2.079 1.00 3.76 H new ATOM 0 HZ2 LYS A 27 17.124 11.022 2.485 1.00 3.76 H new ATOM 0 HZ3 LYS A 27 16.082 11.099 1.147 1.00 3.76 H new ATOM 445 N GLY A 28 11.729 9.976 5.699 1.00 0.68 N ATOM 446 CA GLY A 28 10.305 10.286 5.358 1.00 0.68 C ATOM 447 C GLY A 28 9.744 9.503 4.159 1.00 0.61 C ATOM 448 O GLY A 28 8.656 8.965 4.234 1.00 0.65 O ATOM 0 H GLY A 28 12.373 10.767 5.682 1.00 0.68 H new ATOM 0 HA2 GLY A 28 9.684 10.081 6.230 1.00 0.68 H new ATOM 0 HA3 GLY A 28 10.220 11.352 5.150 1.00 0.68 H new ATOM 452 N THR A 29 10.437 9.423 3.067 1.00 0.51 N ATOM 453 CA THR A 29 9.887 8.670 1.902 1.00 0.46 C ATOM 454 C THR A 29 10.319 7.230 1.979 1.00 0.49 C ATOM 455 O THR A 29 9.856 6.386 1.237 1.00 0.52 O ATOM 456 CB THR A 29 10.364 9.240 0.578 1.00 0.33 C ATOM 457 OG1 THR A 29 11.777 9.396 0.603 1.00 0.28 O ATOM 458 CG2 THR A 29 9.692 10.589 0.320 1.00 0.23 C ATOM 0 H THR A 29 11.356 9.842 2.924 1.00 0.51 H new ATOM 0 HA THR A 29 8.801 8.756 1.947 1.00 0.46 H new ATOM 0 HB THR A 29 10.096 8.553 -0.225 1.00 0.33 H new ATOM 0 HG1 THR A 29 12.081 9.762 -0.254 1.00 0.28 H new ATOM 0 HG21 THR A 29 10.039 10.992 -0.631 1.00 0.23 H new ATOM 0 HG22 THR A 29 8.611 10.456 0.285 1.00 0.23 H new ATOM 0 HG23 THR A 29 9.947 11.282 1.122 1.00 0.23 H new ATOM 466 N GLU A 30 11.218 6.942 2.851 1.00 0.53 N ATOM 467 CA GLU A 30 11.693 5.551 2.953 1.00 0.60 C ATOM 468 C GLU A 30 10.506 4.670 3.198 1.00 0.74 C ATOM 469 O GLU A 30 10.502 3.545 2.824 1.00 0.84 O ATOM 470 CB GLU A 30 12.704 5.417 4.069 1.00 0.68 C ATOM 471 CG GLU A 30 14.064 5.916 3.572 1.00 0.71 C ATOM 472 CD GLU A 30 15.136 4.869 3.882 1.00 0.90 C ATOM 473 OE1 GLU A 30 15.026 3.769 3.365 1.00 1.77 O ATOM 474 OE2 GLU A 30 16.043 5.184 4.631 1.00 2.19 O ATOM 0 H GLU A 30 11.646 7.604 3.498 1.00 0.53 H new ATOM 0 HA GLU A 30 12.188 5.254 2.028 1.00 0.60 H new ATOM 0 HB2 GLU A 30 12.385 5.994 4.937 1.00 0.68 H new ATOM 0 HB3 GLU A 30 12.778 4.377 4.387 1.00 0.68 H new ATOM 0 HG2 GLU A 30 14.024 6.105 2.499 1.00 0.71 H new ATOM 0 HG3 GLU A 30 14.314 6.862 4.053 1.00 0.71 H new ATOM 481 N VAL A 31 9.489 5.136 3.825 1.00 0.76 N ATOM 482 CA VAL A 31 8.363 4.203 4.033 1.00 0.92 C ATOM 483 C VAL A 31 7.635 3.918 2.731 1.00 0.92 C ATOM 484 O VAL A 31 7.111 2.843 2.551 1.00 0.98 O ATOM 485 CB VAL A 31 7.389 4.683 5.077 1.00 1.00 C ATOM 486 CG1 VAL A 31 7.470 3.699 6.246 1.00 3.29 C ATOM 487 CG2 VAL A 31 7.726 6.104 5.530 1.00 2.03 C ATOM 0 H VAL A 31 9.380 6.081 4.193 1.00 0.76 H new ATOM 0 HA VAL A 31 8.804 3.278 4.403 1.00 0.92 H new ATOM 0 HB VAL A 31 6.377 4.719 4.673 1.00 1.00 H new ATOM 0 HG11 VAL A 31 6.778 4.008 7.030 1.00 3.29 H new ATOM 0 HG12 VAL A 31 7.204 2.700 5.900 1.00 3.29 H new ATOM 0 HG13 VAL A 31 8.485 3.687 6.642 1.00 3.29 H new ATOM 0 HG21 VAL A 31 7.007 6.426 6.284 1.00 2.03 H new ATOM 0 HG22 VAL A 31 8.730 6.122 5.955 1.00 2.03 H new ATOM 0 HG23 VAL A 31 7.682 6.779 4.675 1.00 2.03 H new ATOM 497 N LYS A 32 7.558 4.821 1.806 1.00 0.86 N ATOM 498 CA LYS A 32 6.839 4.428 0.577 1.00 0.89 C ATOM 499 C LYS A 32 7.693 3.416 -0.189 1.00 0.79 C ATOM 500 O LYS A 32 7.227 2.401 -0.606 1.00 0.82 O ATOM 501 CB LYS A 32 6.527 5.641 -0.272 1.00 0.92 C ATOM 502 CG LYS A 32 5.896 6.703 0.640 1.00 1.37 C ATOM 503 CD LYS A 32 6.135 8.102 0.075 1.00 0.66 C ATOM 504 CE LYS A 32 6.433 9.060 1.229 1.00 0.69 C ATOM 505 NZ LYS A 32 5.153 9.566 1.800 1.00 0.82 N ATOM 0 H LYS A 32 7.940 5.766 1.840 1.00 0.86 H new ATOM 0 HA LYS A 32 5.886 3.967 0.838 1.00 0.89 H new ATOM 0 HB2 LYS A 32 7.435 6.026 -0.736 1.00 0.92 H new ATOM 0 HB3 LYS A 32 5.844 5.377 -1.080 1.00 0.92 H new ATOM 0 HG2 LYS A 32 4.826 6.520 0.735 1.00 1.37 H new ATOM 0 HG3 LYS A 32 6.321 6.631 1.641 1.00 1.37 H new ATOM 0 HD2 LYS A 32 6.969 8.087 -0.627 1.00 0.66 H new ATOM 0 HD3 LYS A 32 5.258 8.440 -0.478 1.00 0.66 H new ATOM 0 HE2 LYS A 32 7.010 8.549 2.000 1.00 0.69 H new ATOM 0 HE3 LYS A 32 7.040 9.893 0.876 1.00 0.69 H new ATOM 0 HZ1 LYS A 32 5.356 10.217 2.585 1.00 0.82 H new ATOM 0 HZ2 LYS A 32 4.619 10.068 1.063 1.00 0.82 H new ATOM 0 HZ3 LYS A 32 4.589 8.766 2.152 1.00 0.82 H new ATOM 519 N SER A 33 8.948 3.683 -0.360 1.00 0.68 N ATOM 520 CA SER A 33 9.830 2.721 -1.085 1.00 0.59 C ATOM 521 C SER A 33 10.083 1.483 -0.219 1.00 0.61 C ATOM 522 O SER A 33 10.178 0.384 -0.703 1.00 0.58 O ATOM 523 CB SER A 33 11.162 3.394 -1.407 1.00 0.47 C ATOM 524 OG SER A 33 11.025 4.800 -1.256 1.00 1.43 O ATOM 0 H SER A 33 9.411 4.530 -0.030 1.00 0.68 H new ATOM 0 HA SER A 33 9.338 2.416 -2.009 1.00 0.59 H new ATOM 0 HB2 SER A 33 11.942 3.020 -0.744 1.00 0.47 H new ATOM 0 HB3 SER A 33 11.467 3.154 -2.425 1.00 0.47 H new ATOM 0 HG SER A 33 11.879 5.236 -1.460 1.00 1.43 H new ATOM 530 N LEU A 34 10.218 1.675 1.058 1.00 0.69 N ATOM 531 CA LEU A 34 10.494 0.537 1.993 1.00 0.75 C ATOM 532 C LEU A 34 9.212 -0.262 2.210 1.00 0.87 C ATOM 533 O LEU A 34 9.162 -1.458 2.001 1.00 0.85 O ATOM 534 CB LEU A 34 11.004 1.110 3.338 1.00 0.81 C ATOM 535 CG LEU A 34 12.034 0.176 3.996 1.00 0.81 C ATOM 536 CD1 LEU A 34 12.840 -0.594 2.946 1.00 1.70 C ATOM 537 CD2 LEU A 34 12.998 1.016 4.837 1.00 1.81 C ATOM 0 H LEU A 34 10.149 2.587 1.509 1.00 0.69 H new ATOM 0 HA LEU A 34 11.252 -0.124 1.571 1.00 0.75 H new ATOM 0 HB2 LEU A 34 11.454 2.089 3.170 1.00 0.81 H new ATOM 0 HB3 LEU A 34 10.162 1.258 4.014 1.00 0.81 H new ATOM 0 HG LEU A 34 11.499 -0.543 4.616 1.00 0.81 H new ATOM 0 HD11 LEU A 34 13.559 -1.245 3.444 1.00 1.70 H new ATOM 0 HD12 LEU A 34 12.165 -1.197 2.339 1.00 1.70 H new ATOM 0 HD13 LEU A 34 13.371 0.111 2.306 1.00 1.70 H new ATOM 0 HD21 LEU A 34 13.733 0.364 5.308 1.00 1.81 H new ATOM 0 HD22 LEU A 34 13.509 1.734 4.196 1.00 1.81 H new ATOM 0 HD23 LEU A 34 12.440 1.549 5.607 1.00 1.81 H new ATOM 549 N ARG A 35 8.171 0.407 2.602 1.00 1.01 N ATOM 550 CA ARG A 35 6.865 -0.275 2.810 1.00 1.16 C ATOM 551 C ARG A 35 6.336 -0.680 1.439 1.00 1.14 C ATOM 552 O ARG A 35 5.574 -1.613 1.294 1.00 1.24 O ATOM 553 CB ARG A 35 5.880 0.685 3.484 1.00 1.31 C ATOM 554 CG ARG A 35 4.766 -0.114 4.164 1.00 1.56 C ATOM 555 CD ARG A 35 3.411 0.514 3.830 1.00 0.91 C ATOM 556 NE ARG A 35 2.506 0.404 5.009 1.00 2.08 N ATOM 557 CZ ARG A 35 1.259 0.779 4.911 1.00 2.00 C ATOM 558 NH1 ARG A 35 0.669 0.785 3.747 1.00 1.95 N ATOM 559 NH2 ARG A 35 0.600 1.144 5.976 1.00 1.98 N ATOM 0 H ARG A 35 8.166 1.409 2.790 1.00 1.01 H new ATOM 0 HA ARG A 35 6.985 -1.150 3.449 1.00 1.16 H new ATOM 0 HB2 ARG A 35 6.401 1.299 4.219 1.00 1.31 H new ATOM 0 HB3 ARG A 35 5.455 1.364 2.745 1.00 1.31 H new ATOM 0 HG2 ARG A 35 4.791 -1.151 3.829 1.00 1.56 H new ATOM 0 HG3 ARG A 35 4.918 -0.124 5.243 1.00 1.56 H new ATOM 0 HD2 ARG A 35 3.542 1.561 3.555 1.00 0.91 H new ATOM 0 HD3 ARG A 35 2.968 0.012 2.970 1.00 0.91 H new ATOM 0 HE ARG A 35 2.860 0.036 5.892 1.00 2.08 H new ATOM 0 HH11 ARG A 35 1.182 0.497 2.914 1.00 1.95 H new ATOM 0 HH12 ARG A 35 -0.305 1.078 3.670 1.00 1.95 H new ATOM 0 HH21 ARG A 35 1.059 1.137 6.887 1.00 1.98 H new ATOM 0 HH22 ARG A 35 -0.374 1.437 5.898 1.00 1.98 H new ATOM 573 N ALA A 36 6.759 0.015 0.421 1.00 1.03 N ATOM 574 CA ALA A 36 6.316 -0.344 -0.959 1.00 1.06 C ATOM 575 C ALA A 36 7.542 -0.866 -1.711 1.00 0.91 C ATOM 576 O ALA A 36 7.643 -0.746 -2.916 1.00 0.90 O ATOM 577 CB ALA A 36 5.725 0.882 -1.684 1.00 1.09 C ATOM 0 H ALA A 36 7.390 0.814 0.482 1.00 1.03 H new ATOM 0 HA ALA A 36 5.535 -1.103 -0.918 1.00 1.06 H new ATOM 0 HB1 ALA A 36 5.410 0.595 -2.687 1.00 1.09 H new ATOM 0 HB2 ALA A 36 4.866 1.255 -1.127 1.00 1.09 H new ATOM 0 HB3 ALA A 36 6.481 1.664 -1.752 1.00 1.09 H new ATOM 583 N GLY A 37 8.514 -1.381 -0.992 1.00 0.82 N ATOM 584 CA GLY A 37 9.772 -1.829 -1.658 1.00 0.66 C ATOM 585 C GLY A 37 9.776 -3.297 -2.048 1.00 0.43 C ATOM 586 O GLY A 37 9.353 -4.164 -1.310 1.00 0.48 O ATOM 0 H GLY A 37 8.487 -1.508 0.020 1.00 0.82 H new ATOM 0 HA2 GLY A 37 9.932 -1.226 -2.552 1.00 0.66 H new ATOM 0 HA3 GLY A 37 10.612 -1.639 -0.990 1.00 0.66 H new ATOM 590 N LYS A 38 10.343 -3.570 -3.189 1.00 0.37 N ATOM 591 CA LYS A 38 10.496 -4.970 -3.639 1.00 0.35 C ATOM 592 C LYS A 38 11.966 -5.304 -3.412 1.00 0.36 C ATOM 593 O LYS A 38 12.839 -4.717 -4.018 1.00 0.43 O ATOM 594 CB LYS A 38 10.151 -5.084 -5.131 1.00 0.48 C ATOM 595 CG LYS A 38 10.917 -6.254 -5.757 1.00 1.42 C ATOM 596 CD LYS A 38 10.450 -7.567 -5.129 1.00 2.14 C ATOM 597 CE LYS A 38 9.918 -8.495 -6.223 1.00 1.77 C ATOM 598 NZ LYS A 38 11.028 -8.864 -7.150 1.00 4.43 N ATOM 0 H LYS A 38 10.710 -2.870 -3.833 1.00 0.37 H new ATOM 0 HA LYS A 38 9.835 -5.649 -3.100 1.00 0.35 H new ATOM 0 HB2 LYS A 38 9.078 -5.233 -5.254 1.00 0.48 H new ATOM 0 HB3 LYS A 38 10.405 -4.156 -5.644 1.00 0.48 H new ATOM 0 HG2 LYS A 38 10.752 -6.275 -6.834 1.00 1.42 H new ATOM 0 HG3 LYS A 38 11.988 -6.125 -5.601 1.00 1.42 H new ATOM 0 HD2 LYS A 38 11.276 -8.045 -4.602 1.00 2.14 H new ATOM 0 HD3 LYS A 38 9.671 -7.373 -4.391 1.00 2.14 H new ATOM 0 HE2 LYS A 38 9.490 -9.393 -5.776 1.00 1.77 H new ATOM 0 HE3 LYS A 38 9.118 -8.002 -6.775 1.00 1.77 H new ATOM 0 HZ1 LYS A 38 10.819 -9.781 -7.595 1.00 4.43 H new ATOM 0 HZ2 LYS A 38 11.122 -8.136 -7.886 1.00 4.43 H new ATOM 0 HZ3 LYS A 38 11.918 -8.933 -6.616 1.00 4.43 H new ATOM 612 N VAL A 39 12.256 -6.205 -2.527 1.00 0.36 N ATOM 613 CA VAL A 39 13.681 -6.524 -2.247 1.00 0.37 C ATOM 614 C VAL A 39 13.936 -7.995 -2.511 1.00 0.31 C ATOM 615 O VAL A 39 13.027 -8.800 -2.498 1.00 0.30 O ATOM 616 CB VAL A 39 13.970 -6.224 -0.779 1.00 0.41 C ATOM 617 CG1 VAL A 39 15.392 -6.667 -0.422 1.00 1.96 C ATOM 618 CG2 VAL A 39 13.818 -4.722 -0.528 1.00 2.69 C ATOM 0 H VAL A 39 11.574 -6.735 -1.985 1.00 0.36 H new ATOM 0 HA VAL A 39 14.325 -5.924 -2.890 1.00 0.37 H new ATOM 0 HB VAL A 39 13.263 -6.771 -0.155 1.00 0.41 H new ATOM 0 HG11 VAL A 39 15.588 -6.449 0.628 1.00 1.96 H new ATOM 0 HG12 VAL A 39 15.493 -7.738 -0.595 1.00 1.96 H new ATOM 0 HG13 VAL A 39 16.108 -6.130 -1.044 1.00 1.96 H new ATOM 0 HG21 VAL A 39 14.024 -4.506 0.520 1.00 2.69 H new ATOM 0 HG22 VAL A 39 14.521 -4.175 -1.156 1.00 2.69 H new ATOM 0 HG23 VAL A 39 12.801 -4.414 -0.769 1.00 2.69 H new ATOM 628 N ASP A 40 15.164 -8.366 -2.733 1.00 0.30 N ATOM 629 CA ASP A 40 15.434 -9.806 -2.972 1.00 0.23 C ATOM 630 C ASP A 40 15.743 -10.475 -1.633 1.00 0.14 C ATOM 631 O ASP A 40 16.799 -10.279 -1.063 1.00 0.19 O ATOM 632 CB ASP A 40 16.632 -9.960 -3.908 1.00 0.34 C ATOM 633 CG ASP A 40 17.101 -11.416 -3.891 1.00 1.13 C ATOM 634 OD1 ASP A 40 16.356 -12.250 -3.401 1.00 2.02 O ATOM 635 OD2 ASP A 40 18.195 -11.673 -4.365 1.00 1.33 O ATOM 0 H ASP A 40 15.976 -7.749 -2.759 1.00 0.30 H new ATOM 0 HA ASP A 40 14.563 -10.273 -3.432 1.00 0.23 H new ATOM 0 HB2 ASP A 40 16.357 -9.666 -4.921 1.00 0.34 H new ATOM 0 HB3 ASP A 40 17.441 -9.301 -3.593 1.00 0.34 H new ATOM 640 N PHE A 41 14.844 -11.281 -1.133 1.00 0.13 N ATOM 641 CA PHE A 41 15.112 -11.975 0.156 1.00 0.23 C ATOM 642 C PHE A 41 15.529 -13.409 -0.160 1.00 0.35 C ATOM 643 O PHE A 41 14.747 -14.190 -0.657 1.00 0.46 O ATOM 644 CB PHE A 41 13.863 -11.930 1.051 1.00 0.32 C ATOM 645 CG PHE A 41 13.945 -10.698 1.939 1.00 0.31 C ATOM 646 CD1 PHE A 41 14.808 -9.649 1.590 1.00 0.27 C ATOM 647 CD2 PHE A 41 13.170 -10.598 3.111 1.00 0.41 C ATOM 648 CE1 PHE A 41 14.898 -8.512 2.401 1.00 0.29 C ATOM 649 CE2 PHE A 41 13.265 -9.460 3.916 1.00 0.40 C ATOM 650 CZ PHE A 41 14.127 -8.417 3.564 1.00 0.32 C ATOM 0 H PHE A 41 13.941 -11.487 -1.560 1.00 0.13 H new ATOM 0 HA PHE A 41 15.914 -11.480 0.703 1.00 0.23 H new ATOM 0 HB2 PHE A 41 12.961 -11.896 0.440 1.00 0.32 H new ATOM 0 HB3 PHE A 41 13.802 -12.832 1.660 1.00 0.32 H new ATOM 0 HD1 PHE A 41 15.405 -9.719 0.693 1.00 0.27 H new ATOM 0 HD2 PHE A 41 12.503 -11.401 3.387 1.00 0.41 H new ATOM 0 HE1 PHE A 41 15.564 -7.707 2.128 1.00 0.29 H new ATOM 0 HE2 PHE A 41 12.670 -9.386 4.814 1.00 0.40 H new ATOM 0 HZ PHE A 41 14.197 -7.539 4.189 1.00 0.32 H new ATOM 660 N THR A 42 16.776 -13.715 0.107 1.00 0.36 N ATOM 661 CA THR A 42 17.381 -15.056 -0.165 1.00 0.50 C ATOM 662 C THR A 42 18.761 -14.809 -0.768 1.00 0.52 C ATOM 663 O THR A 42 19.010 -13.749 -1.312 1.00 0.45 O ATOM 664 CB THR A 42 16.527 -15.870 -1.124 1.00 0.59 C ATOM 665 OG1 THR A 42 17.126 -17.142 -1.335 1.00 0.65 O ATOM 666 CG2 THR A 42 16.419 -15.126 -2.443 1.00 0.58 C ATOM 0 H THR A 42 17.430 -13.053 0.524 1.00 0.36 H new ATOM 0 HA THR A 42 17.449 -15.629 0.760 1.00 0.50 H new ATOM 0 HB THR A 42 15.532 -16.013 -0.702 1.00 0.59 H new ATOM 0 HG1 THR A 42 16.573 -17.666 -1.952 1.00 0.65 H new ATOM 0 HG21 THR A 42 15.808 -15.703 -3.137 1.00 0.58 H new ATOM 0 HG22 THR A 42 15.957 -14.153 -2.275 1.00 0.58 H new ATOM 0 HG23 THR A 42 17.414 -14.987 -2.865 1.00 0.58 H new ATOM 674 N GLY A 43 19.684 -15.733 -0.648 1.00 0.66 N ATOM 675 CA GLY A 43 21.048 -15.455 -1.186 1.00 0.73 C ATOM 676 C GLY A 43 21.425 -14.080 -0.652 1.00 0.58 C ATOM 677 O GLY A 43 22.058 -13.274 -1.304 1.00 0.66 O ATOM 0 H GLY A 43 19.555 -16.646 -0.211 1.00 0.66 H new ATOM 0 HA2 GLY A 43 21.761 -16.212 -0.858 1.00 0.73 H new ATOM 0 HA3 GLY A 43 21.050 -15.466 -2.276 1.00 0.73 H new ATOM 681 N SER A 44 20.953 -13.809 0.532 1.00 0.41 N ATOM 682 CA SER A 44 21.156 -12.489 1.175 1.00 0.24 C ATOM 683 C SER A 44 22.324 -12.517 2.168 1.00 0.49 C ATOM 684 O SER A 44 22.819 -13.566 2.529 1.00 0.81 O ATOM 685 CB SER A 44 19.873 -12.186 1.932 1.00 0.36 C ATOM 686 OG SER A 44 20.144 -12.197 3.328 1.00 0.68 O ATOM 0 H SER A 44 20.419 -14.471 1.095 1.00 0.41 H new ATOM 0 HA SER A 44 21.388 -11.737 0.421 1.00 0.24 H new ATOM 0 HB2 SER A 44 19.480 -11.214 1.633 1.00 0.36 H new ATOM 0 HB3 SER A 44 19.110 -12.926 1.691 1.00 0.36 H new ATOM 0 HG SER A 44 20.568 -13.046 3.572 1.00 0.68 H new ATOM 692 N PHE A 45 22.753 -11.364 2.635 1.00 0.41 N ATOM 693 CA PHE A 45 23.866 -11.330 3.628 1.00 0.67 C ATOM 694 C PHE A 45 23.680 -10.151 4.568 1.00 0.51 C ATOM 695 O PHE A 45 23.049 -9.168 4.247 1.00 0.26 O ATOM 696 CB PHE A 45 25.221 -11.187 2.942 1.00 0.95 C ATOM 697 CG PHE A 45 25.510 -12.436 2.166 1.00 1.06 C ATOM 698 CD1 PHE A 45 25.364 -13.686 2.776 1.00 0.93 C ATOM 699 CD2 PHE A 45 25.914 -12.348 0.839 1.00 1.88 C ATOM 700 CE1 PHE A 45 25.618 -14.849 2.048 1.00 0.94 C ATOM 701 CE2 PHE A 45 26.167 -13.496 0.108 1.00 1.99 C ATOM 702 CZ PHE A 45 26.020 -14.756 0.706 1.00 1.26 C ATOM 0 H PHE A 45 22.379 -10.453 2.370 1.00 0.41 H new ATOM 0 HA PHE A 45 23.844 -12.270 4.179 1.00 0.67 H new ATOM 0 HB2 PHE A 45 25.217 -10.323 2.277 1.00 0.95 H new ATOM 0 HB3 PHE A 45 26.002 -11.015 3.683 1.00 0.95 H new ATOM 0 HD1 PHE A 45 25.055 -13.751 3.809 1.00 0.93 H new ATOM 0 HD2 PHE A 45 26.031 -11.379 0.376 1.00 1.88 H new ATOM 0 HE1 PHE A 45 25.506 -15.816 2.515 1.00 0.94 H new ATOM 0 HE2 PHE A 45 26.478 -13.421 -0.924 1.00 1.99 H new ATOM 0 HZ PHE A 45 26.215 -15.652 0.136 1.00 1.26 H new ATOM 712 N ALA A 46 24.241 -10.244 5.724 1.00 0.73 N ATOM 713 CA ALA A 46 24.136 -9.139 6.700 1.00 0.60 C ATOM 714 C ALA A 46 25.505 -8.973 7.357 1.00 0.77 C ATOM 715 O ALA A 46 26.255 -9.919 7.487 1.00 0.98 O ATOM 716 CB ALA A 46 23.054 -9.443 7.739 1.00 0.60 C ATOM 0 H ALA A 46 24.778 -11.051 6.043 1.00 0.73 H new ATOM 0 HA ALA A 46 23.848 -8.212 6.204 1.00 0.60 H new ATOM 0 HB1 ALA A 46 22.990 -8.619 8.450 1.00 0.60 H new ATOM 0 HB2 ALA A 46 22.093 -9.566 7.239 1.00 0.60 H new ATOM 0 HB3 ALA A 46 23.307 -10.361 8.270 1.00 0.60 H new ATOM 722 N ARG A 47 25.853 -7.786 7.750 1.00 0.70 N ATOM 723 CA ARG A 47 27.182 -7.571 8.368 1.00 0.92 C ATOM 724 C ARG A 47 26.936 -7.310 9.844 1.00 0.83 C ATOM 725 O ARG A 47 26.069 -6.550 10.218 1.00 0.76 O ATOM 726 CB ARG A 47 27.852 -6.366 7.697 1.00 1.06 C ATOM 727 CG ARG A 47 28.407 -5.393 8.752 1.00 1.45 C ATOM 728 CD ARG A 47 29.683 -5.981 9.356 1.00 1.05 C ATOM 729 NE ARG A 47 30.853 -5.173 8.917 1.00 0.66 N ATOM 730 CZ ARG A 47 32.013 -5.334 9.494 1.00 0.61 C ATOM 731 NH1 ARG A 47 32.201 -6.324 10.327 1.00 1.55 N ATOM 732 NH2 ARG A 47 32.987 -4.505 9.238 1.00 1.61 N ATOM 0 H ARG A 47 25.271 -6.952 7.669 1.00 0.70 H new ATOM 0 HA ARG A 47 27.840 -8.431 8.244 1.00 0.92 H new ATOM 0 HB2 ARG A 47 28.660 -6.707 7.049 1.00 1.06 H new ATOM 0 HB3 ARG A 47 27.131 -5.850 7.063 1.00 1.06 H new ATOM 0 HG2 ARG A 47 28.618 -4.426 8.296 1.00 1.45 H new ATOM 0 HG3 ARG A 47 27.666 -5.223 9.533 1.00 1.45 H new ATOM 0 HD2 ARG A 47 29.616 -5.984 10.444 1.00 1.05 H new ATOM 0 HD3 ARG A 47 29.804 -7.018 9.041 1.00 1.05 H new ATOM 0 HE ARG A 47 30.749 -4.493 8.164 1.00 0.66 H new ATOM 0 HH11 ARG A 47 31.440 -6.973 10.528 1.00 1.55 H new ATOM 0 HH12 ARG A 47 33.108 -6.447 10.776 1.00 1.55 H new ATOM 0 HH21 ARG A 47 32.842 -3.733 8.588 1.00 1.61 H new ATOM 0 HH22 ARG A 47 33.894 -4.629 9.688 1.00 1.61 H new ATOM 746 N PHE A 48 27.634 -8.001 10.688 1.00 0.79 N ATOM 747 CA PHE A 48 27.377 -7.863 12.130 1.00 0.71 C ATOM 748 C PHE A 48 28.543 -7.228 12.861 1.00 0.64 C ATOM 749 O PHE A 48 29.549 -7.851 13.145 1.00 0.62 O ATOM 750 CB PHE A 48 27.120 -9.261 12.666 1.00 0.75 C ATOM 751 CG PHE A 48 26.619 -10.100 11.518 1.00 2.49 C ATOM 752 CD1 PHE A 48 25.251 -10.152 11.231 1.00 3.85 C ATOM 753 CD2 PHE A 48 27.531 -10.799 10.719 1.00 3.94 C ATOM 754 CE1 PHE A 48 24.794 -10.903 10.144 1.00 5.67 C ATOM 755 CE2 PHE A 48 27.073 -11.553 9.634 1.00 5.71 C ATOM 756 CZ PHE A 48 25.705 -11.602 9.345 1.00 6.36 C ATOM 0 H PHE A 48 28.374 -8.657 10.437 1.00 0.79 H new ATOM 0 HA PHE A 48 26.522 -7.206 12.290 1.00 0.71 H new ATOM 0 HB2 PHE A 48 28.033 -9.686 13.082 1.00 0.75 H new ATOM 0 HB3 PHE A 48 26.385 -9.234 13.471 1.00 0.75 H new ATOM 0 HD1 PHE A 48 24.548 -9.612 11.849 1.00 3.85 H new ATOM 0 HD2 PHE A 48 28.587 -10.756 10.940 1.00 3.94 H new ATOM 0 HE1 PHE A 48 23.738 -10.944 9.921 1.00 5.67 H new ATOM 0 HE2 PHE A 48 27.775 -12.097 9.019 1.00 5.71 H new ATOM 0 HZ PHE A 48 25.352 -12.180 8.504 1.00 6.36 H new ATOM 766 N GLU A 49 28.376 -6.001 13.212 1.00 0.63 N ATOM 767 CA GLU A 49 29.422 -5.288 13.989 1.00 0.65 C ATOM 768 C GLU A 49 28.954 -5.222 15.448 1.00 0.82 C ATOM 769 O GLU A 49 29.337 -4.345 16.196 1.00 0.80 O ATOM 770 CB GLU A 49 29.599 -3.870 13.440 1.00 0.60 C ATOM 771 CG GLU A 49 30.769 -3.844 12.455 1.00 1.22 C ATOM 772 CD GLU A 49 32.077 -3.625 13.220 1.00 1.05 C ATOM 773 OE1 GLU A 49 32.402 -2.480 13.487 1.00 1.14 O ATOM 774 OE2 GLU A 49 32.735 -4.607 13.522 1.00 2.88 O ATOM 0 H GLU A 49 27.549 -5.445 12.994 1.00 0.63 H new ATOM 0 HA GLU A 49 30.376 -5.810 13.915 1.00 0.65 H new ATOM 0 HB2 GLU A 49 28.685 -3.545 12.943 1.00 0.60 H new ATOM 0 HB3 GLU A 49 29.783 -3.173 14.257 1.00 0.60 H new ATOM 0 HG2 GLU A 49 30.812 -4.782 11.901 1.00 1.22 H new ATOM 0 HG3 GLU A 49 30.625 -3.048 11.724 1.00 1.22 H new ATOM 781 N ASP A 50 28.106 -6.138 15.848 1.00 1.01 N ATOM 782 CA ASP A 50 27.586 -6.119 17.247 1.00 1.24 C ATOM 783 C ASP A 50 26.947 -4.754 17.490 1.00 1.42 C ATOM 784 O ASP A 50 27.625 -3.768 17.702 1.00 1.85 O ATOM 785 CB ASP A 50 28.736 -6.336 18.233 1.00 1.44 C ATOM 786 CG ASP A 50 29.504 -7.600 17.846 1.00 1.34 C ATOM 787 OD1 ASP A 50 29.659 -7.834 16.659 1.00 2.24 O ATOM 788 OD2 ASP A 50 29.919 -8.314 18.743 1.00 1.97 O ATOM 0 H ASP A 50 27.753 -6.897 15.265 1.00 1.01 H new ATOM 0 HA ASP A 50 26.854 -6.914 17.391 1.00 1.24 H new ATOM 0 HB2 ASP A 50 29.404 -5.475 18.225 1.00 1.44 H new ATOM 0 HB3 ASP A 50 28.348 -6.429 19.247 1.00 1.44 H new ATOM 793 N GLY A 51 25.649 -4.684 17.434 1.00 1.40 N ATOM 794 CA GLY A 51 24.965 -3.377 17.631 1.00 1.56 C ATOM 795 C GLY A 51 24.644 -2.792 16.264 1.00 1.11 C ATOM 796 O GLY A 51 23.861 -1.871 16.135 1.00 1.16 O ATOM 0 H GLY A 51 25.030 -5.476 17.260 1.00 1.40 H new ATOM 0 HA2 GLY A 51 24.051 -3.511 18.210 1.00 1.56 H new ATOM 0 HA3 GLY A 51 25.603 -2.696 18.195 1.00 1.56 H new ATOM 800 N GLU A 52 25.243 -3.328 15.238 1.00 0.80 N ATOM 801 CA GLU A 52 24.980 -2.815 13.874 1.00 0.43 C ATOM 802 C GLU A 52 24.606 -3.977 12.954 1.00 0.47 C ATOM 803 O GLU A 52 25.413 -4.840 12.668 1.00 0.53 O ATOM 804 CB GLU A 52 26.239 -2.133 13.336 1.00 0.21 C ATOM 805 CG GLU A 52 26.107 -0.618 13.497 1.00 0.56 C ATOM 806 CD GLU A 52 25.632 -0.003 12.179 1.00 2.25 C ATOM 807 OE1 GLU A 52 25.139 -0.745 11.346 1.00 3.56 O ATOM 808 OE2 GLU A 52 25.771 1.199 12.024 1.00 2.66 O ATOM 0 H GLU A 52 25.905 -4.102 15.290 1.00 0.80 H new ATOM 0 HA GLU A 52 24.160 -2.098 13.909 1.00 0.43 H new ATOM 0 HB2 GLU A 52 27.117 -2.491 13.873 1.00 0.21 H new ATOM 0 HB3 GLU A 52 26.382 -2.387 12.286 1.00 0.21 H new ATOM 0 HG2 GLU A 52 25.400 -0.387 14.294 1.00 0.56 H new ATOM 0 HG3 GLU A 52 27.066 -0.188 13.787 1.00 0.56 H new ATOM 815 N LEU A 53 23.403 -3.985 12.457 1.00 0.46 N ATOM 816 CA LEU A 53 22.989 -5.057 11.526 1.00 0.49 C ATOM 817 C LEU A 53 22.928 -4.418 10.151 1.00 0.41 C ATOM 818 O LEU A 53 21.989 -3.742 9.794 1.00 0.42 O ATOM 819 CB LEU A 53 21.616 -5.599 11.923 1.00 0.60 C ATOM 820 CG LEU A 53 21.125 -6.568 10.850 1.00 0.73 C ATOM 821 CD1 LEU A 53 22.024 -7.805 10.829 1.00 0.83 C ATOM 822 CD2 LEU A 53 19.687 -6.988 11.160 1.00 0.55 C ATOM 0 H LEU A 53 22.687 -3.288 12.660 1.00 0.46 H new ATOM 0 HA LEU A 53 23.686 -5.895 11.544 1.00 0.49 H new ATOM 0 HB2 LEU A 53 21.677 -6.106 12.886 1.00 0.60 H new ATOM 0 HB3 LEU A 53 20.908 -4.778 12.039 1.00 0.60 H new ATOM 0 HG LEU A 53 21.158 -6.078 9.877 1.00 0.73 H new ATOM 0 HD11 LEU A 53 21.673 -8.497 10.063 1.00 0.83 H new ATOM 0 HD12 LEU A 53 23.049 -7.506 10.607 1.00 0.83 H new ATOM 0 HD13 LEU A 53 21.992 -8.295 11.802 1.00 0.83 H new ATOM 0 HD21 LEU A 53 19.337 -7.680 10.394 1.00 0.55 H new ATOM 0 HD22 LEU A 53 19.653 -7.477 12.134 1.00 0.55 H new ATOM 0 HD23 LEU A 53 19.046 -6.107 11.174 1.00 0.55 H new ATOM 834 N TYR A 54 23.959 -4.589 9.408 1.00 0.34 N ATOM 835 CA TYR A 54 24.045 -3.950 8.073 1.00 0.21 C ATOM 836 C TYR A 54 23.438 -4.817 6.985 1.00 0.21 C ATOM 837 O TYR A 54 23.778 -5.967 6.826 1.00 0.22 O ATOM 838 CB TYR A 54 25.524 -3.767 7.719 1.00 0.14 C ATOM 839 CG TYR A 54 26.024 -2.445 8.250 1.00 0.49 C ATOM 840 CD1 TYR A 54 25.691 -1.255 7.596 1.00 0.81 C ATOM 841 CD2 TYR A 54 26.828 -2.413 9.397 1.00 0.81 C ATOM 842 CE1 TYR A 54 26.159 -0.030 8.088 1.00 1.22 C ATOM 843 CE2 TYR A 54 27.297 -1.191 9.890 1.00 1.19 C ATOM 844 CZ TYR A 54 26.962 0.002 9.235 1.00 1.35 C ATOM 845 OH TYR A 54 27.423 1.209 9.719 1.00 1.79 O ATOM 0 H TYR A 54 24.768 -5.154 9.665 1.00 0.34 H new ATOM 0 HA TYR A 54 23.502 -3.006 8.124 1.00 0.21 H new ATOM 0 HB2 TYR A 54 26.111 -4.583 8.141 1.00 0.14 H new ATOM 0 HB3 TYR A 54 25.655 -3.807 6.638 1.00 0.14 H new ATOM 0 HD1 TYR A 54 25.073 -1.280 6.711 1.00 0.81 H new ATOM 0 HD2 TYR A 54 27.086 -3.333 9.901 1.00 0.81 H new ATOM 0 HE1 TYR A 54 25.901 0.889 7.583 1.00 1.22 H new ATOM 0 HE2 TYR A 54 27.917 -1.167 10.774 1.00 1.19 H new ATOM 0 HH TYR A 54 26.920 1.452 10.524 1.00 1.79 H new ATOM 855 N LEU A 55 22.615 -4.245 6.167 1.00 0.25 N ATOM 856 CA LEU A 55 22.096 -5.026 5.034 1.00 0.23 C ATOM 857 C LEU A 55 23.345 -5.304 4.217 1.00 0.33 C ATOM 858 O LEU A 55 24.206 -4.452 4.120 1.00 0.42 O ATOM 859 CB LEU A 55 21.155 -4.175 4.187 1.00 0.31 C ATOM 860 CG LEU A 55 19.704 -4.506 4.484 1.00 0.31 C ATOM 861 CD1 LEU A 55 18.936 -3.238 4.858 1.00 0.36 C ATOM 862 CD2 LEU A 55 19.097 -5.095 3.230 1.00 0.37 C ATOM 0 H LEU A 55 22.284 -3.283 6.234 1.00 0.25 H new ATOM 0 HA LEU A 55 21.548 -5.914 5.351 1.00 0.23 H new ATOM 0 HB2 LEU A 55 21.338 -3.119 4.384 1.00 0.31 H new ATOM 0 HB3 LEU A 55 21.361 -4.342 3.130 1.00 0.31 H new ATOM 0 HG LEU A 55 19.648 -5.208 5.316 1.00 0.31 H new ATOM 0 HD11 LEU A 55 17.897 -3.491 5.068 1.00 0.36 H new ATOM 0 HD12 LEU A 55 19.386 -2.788 5.743 1.00 0.36 H new ATOM 0 HD13 LEU A 55 18.977 -2.530 4.030 1.00 0.36 H new ATOM 0 HD21 LEU A 55 18.052 -5.343 3.414 1.00 0.37 H new ATOM 0 HD22 LEU A 55 19.160 -4.369 2.419 1.00 0.37 H new ATOM 0 HD23 LEU A 55 19.641 -5.998 2.952 1.00 0.37 H new ATOM 874 N GLU A 56 23.510 -6.448 3.661 1.00 0.36 N ATOM 875 CA GLU A 56 24.776 -6.655 2.919 1.00 0.49 C ATOM 876 C GLU A 56 24.480 -7.256 1.546 1.00 0.50 C ATOM 877 O GLU A 56 24.938 -6.758 0.536 1.00 0.59 O ATOM 878 CB GLU A 56 25.706 -7.539 3.760 1.00 0.53 C ATOM 879 CG GLU A 56 26.856 -8.048 2.887 1.00 0.67 C ATOM 880 CD GLU A 56 28.090 -8.294 3.756 1.00 0.49 C ATOM 881 OE1 GLU A 56 28.136 -9.328 4.404 1.00 1.19 O ATOM 882 OE2 GLU A 56 28.967 -7.447 3.759 1.00 1.58 O ATOM 0 H GLU A 56 22.856 -7.230 3.679 1.00 0.36 H new ATOM 0 HA GLU A 56 25.282 -5.705 2.747 1.00 0.49 H new ATOM 0 HB2 GLU A 56 26.099 -6.972 4.603 1.00 0.53 H new ATOM 0 HB3 GLU A 56 25.150 -8.380 4.173 1.00 0.53 H new ATOM 0 HG2 GLU A 56 26.564 -8.970 2.384 1.00 0.67 H new ATOM 0 HG3 GLU A 56 27.086 -7.319 2.109 1.00 0.67 H new ATOM 889 N ASN A 57 23.682 -8.279 1.483 1.00 0.43 N ATOM 890 CA ASN A 57 23.331 -8.845 0.157 1.00 0.46 C ATOM 891 C ASN A 57 21.825 -8.677 -0.043 1.00 0.45 C ATOM 892 O ASN A 57 21.247 -9.221 -0.963 1.00 0.53 O ATOM 893 CB ASN A 57 23.723 -10.325 0.067 1.00 0.45 C ATOM 894 CG ASN A 57 23.962 -10.698 -1.396 1.00 1.03 C ATOM 895 OD1 ASN A 57 23.060 -11.132 -2.083 1.00 3.23 O ATOM 896 ND2 ASN A 57 25.157 -10.547 -1.904 1.00 1.20 N ATOM 0 H ASN A 57 23.260 -8.745 2.286 1.00 0.43 H new ATOM 0 HA ASN A 57 23.879 -8.319 -0.625 1.00 0.46 H new ATOM 0 HB2 ASN A 57 24.623 -10.511 0.653 1.00 0.45 H new ATOM 0 HB3 ASN A 57 22.934 -10.948 0.489 1.00 0.45 H new ATOM 0 HD21 ASN A 57 25.332 -10.794 -2.878 1.00 1.20 H new ATOM 0 HD22 ASN A 57 25.914 -10.182 -1.326 1.00 1.20 H new ATOM 903 N LEU A 58 21.186 -7.889 0.794 1.00 0.42 N ATOM 904 CA LEU A 58 19.728 -7.655 0.619 1.00 0.43 C ATOM 905 C LEU A 58 19.581 -6.357 -0.156 1.00 0.41 C ATOM 906 O LEU A 58 19.752 -5.277 0.376 1.00 0.38 O ATOM 907 CB LEU A 58 19.041 -7.503 1.976 1.00 0.43 C ATOM 908 CG LEU A 58 18.399 -8.800 2.455 1.00 0.55 C ATOM 909 CD1 LEU A 58 17.838 -9.612 1.286 1.00 2.39 C ATOM 910 CD2 LEU A 58 19.451 -9.597 3.205 1.00 2.60 C ATOM 0 H LEU A 58 21.614 -7.404 1.583 1.00 0.42 H new ATOM 0 HA LEU A 58 19.270 -8.495 0.097 1.00 0.43 H new ATOM 0 HB2 LEU A 58 19.771 -7.169 2.713 1.00 0.43 H new ATOM 0 HB3 LEU A 58 18.278 -6.727 1.908 1.00 0.43 H new ATOM 0 HG LEU A 58 17.560 -8.570 3.111 1.00 0.55 H new ATOM 0 HD11 LEU A 58 17.388 -10.530 1.664 1.00 2.39 H new ATOM 0 HD12 LEU A 58 17.082 -9.025 0.765 1.00 2.39 H new ATOM 0 HD13 LEU A 58 18.644 -9.860 0.596 1.00 2.39 H new ATOM 0 HD21 LEU A 58 19.016 -10.532 3.559 1.00 2.60 H new ATOM 0 HD22 LEU A 58 20.286 -9.815 2.539 1.00 2.60 H new ATOM 0 HD23 LEU A 58 19.808 -9.018 4.057 1.00 2.60 H new ATOM 922 N TYR A 59 19.325 -6.454 -1.420 1.00 0.39 N ATOM 923 CA TYR A 59 19.233 -5.233 -2.257 1.00 0.34 C ATOM 924 C TYR A 59 17.802 -4.722 -2.335 1.00 0.35 C ATOM 925 O TYR A 59 16.906 -5.402 -2.791 1.00 0.55 O ATOM 926 CB TYR A 59 19.747 -5.592 -3.633 1.00 0.29 C ATOM 927 CG TYR A 59 21.157 -6.122 -3.479 1.00 0.36 C ATOM 928 CD1 TYR A 59 21.820 -6.024 -2.234 1.00 0.40 C ATOM 929 CD2 TYR A 59 21.804 -6.717 -4.570 1.00 0.44 C ATOM 930 CE1 TYR A 59 23.122 -6.521 -2.100 1.00 0.51 C ATOM 931 CE2 TYR A 59 23.107 -7.210 -4.427 1.00 0.59 C ATOM 932 CZ TYR A 59 23.764 -7.113 -3.195 1.00 0.62 C ATOM 933 OH TYR A 59 25.046 -7.601 -3.055 1.00 0.78 O ATOM 0 H TYR A 59 19.174 -7.332 -1.917 1.00 0.39 H new ATOM 0 HA TYR A 59 19.828 -4.432 -1.818 1.00 0.34 H new ATOM 0 HB2 TYR A 59 19.106 -6.342 -4.096 1.00 0.29 H new ATOM 0 HB3 TYR A 59 19.737 -4.718 -4.284 1.00 0.29 H new ATOM 0 HD1 TYR A 59 21.324 -5.568 -1.390 1.00 0.40 H new ATOM 0 HD2 TYR A 59 21.298 -6.795 -5.521 1.00 0.44 H new ATOM 0 HE1 TYR A 59 23.632 -6.448 -1.151 1.00 0.51 H new ATOM 0 HE2 TYR A 59 23.606 -7.666 -5.269 1.00 0.59 H new ATOM 0 HH TYR A 59 25.346 -7.981 -3.907 1.00 0.78 H new ATOM 943 N ILE A 60 17.591 -3.519 -1.888 1.00 0.44 N ATOM 944 CA ILE A 60 16.228 -2.939 -1.915 1.00 0.40 C ATOM 945 C ILE A 60 15.963 -2.276 -3.269 1.00 0.34 C ATOM 946 O ILE A 60 16.552 -1.270 -3.606 1.00 0.54 O ATOM 947 CB ILE A 60 16.116 -1.890 -0.804 1.00 0.38 C ATOM 948 CG1 ILE A 60 16.739 -2.445 0.485 1.00 0.50 C ATOM 949 CG2 ILE A 60 14.645 -1.551 -0.561 1.00 0.41 C ATOM 950 CD1 ILE A 60 18.176 -1.936 0.617 1.00 1.42 C ATOM 0 H ILE A 60 18.312 -2.909 -1.502 1.00 0.44 H new ATOM 0 HA ILE A 60 15.494 -3.730 -1.761 1.00 0.40 H new ATOM 0 HB ILE A 60 16.646 -0.986 -1.104 1.00 0.38 H new ATOM 0 HG12 ILE A 60 16.151 -2.135 1.349 1.00 0.50 H new ATOM 0 HG13 ILE A 60 16.728 -3.535 0.467 1.00 0.50 H new ATOM 0 HG21 ILE A 60 14.569 -0.805 0.230 1.00 0.41 H new ATOM 0 HG22 ILE A 60 14.207 -1.155 -1.477 1.00 0.41 H new ATOM 0 HG23 ILE A 60 14.109 -2.452 -0.262 1.00 0.41 H new ATOM 0 HD11 ILE A 60 18.619 -2.330 1.532 1.00 1.42 H new ATOM 0 HD12 ILE A 60 18.760 -2.269 -0.241 1.00 1.42 H new ATOM 0 HD13 ILE A 60 18.174 -0.847 0.654 1.00 1.42 H new ATOM 962 N ALA A 61 15.061 -2.825 -4.037 1.00 0.13 N ATOM 963 CA ALA A 61 14.730 -2.216 -5.357 1.00 0.13 C ATOM 964 C ALA A 61 13.337 -1.583 -5.253 1.00 0.30 C ATOM 965 O ALA A 61 12.340 -2.278 -5.296 1.00 0.42 O ATOM 966 CB ALA A 61 14.723 -3.300 -6.439 1.00 0.22 C ATOM 0 H ALA A 61 14.538 -3.670 -3.807 1.00 0.13 H new ATOM 0 HA ALA A 61 15.471 -1.462 -5.622 1.00 0.13 H new ATOM 0 HB1 ALA A 61 14.481 -2.851 -7.402 1.00 0.22 H new ATOM 0 HB2 ALA A 61 15.707 -3.766 -6.493 1.00 0.22 H new ATOM 0 HB3 ALA A 61 13.977 -4.055 -6.193 1.00 0.22 H new ATOM 1243 N LYS A 78 21.390 -1.136 5.534 1.00 0.77 N ATOM 1244 CA LYS A 78 21.967 -0.858 6.883 1.00 0.73 C ATOM 1245 C LYS A 78 20.907 -1.067 7.977 1.00 0.61 C ATOM 1246 O LYS A 78 20.473 -0.124 8.609 1.00 0.90 O ATOM 1247 CB LYS A 78 22.464 0.590 6.938 1.00 0.85 C ATOM 1248 CG LYS A 78 23.066 0.872 8.317 1.00 0.88 C ATOM 1249 CD LYS A 78 23.657 2.283 8.344 1.00 1.02 C ATOM 1250 CE LYS A 78 22.817 3.207 7.459 1.00 1.45 C ATOM 1251 NZ LYS A 78 23.200 4.623 7.717 1.00 2.20 N ATOM 0 HA LYS A 78 22.795 -1.545 7.055 1.00 0.73 H new ATOM 0 HB2 LYS A 78 23.211 0.759 6.162 1.00 0.85 H new ATOM 0 HB3 LYS A 78 21.640 1.276 6.742 1.00 0.85 H new ATOM 0 HG2 LYS A 78 22.300 0.774 9.086 1.00 0.88 H new ATOM 0 HG3 LYS A 78 23.840 0.139 8.543 1.00 0.88 H new ATOM 0 HD2 LYS A 78 23.677 2.661 9.366 1.00 1.02 H new ATOM 0 HD3 LYS A 78 24.688 2.263 7.991 1.00 1.02 H new ATOM 0 HE2 LYS A 78 22.973 2.962 6.408 1.00 1.45 H new ATOM 0 HE3 LYS A 78 21.757 3.062 7.666 1.00 1.45 H new ATOM 0 HZ1 LYS A 78 22.630 5.252 7.116 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 23.030 4.852 8.717 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 24.208 4.755 7.498 1.00 2.20 H new ATOM 1265 N LEU A 79 20.483 -2.286 8.217 1.00 0.24 N ATOM 1266 CA LEU A 79 19.451 -2.503 9.293 1.00 0.17 C ATOM 1267 C LEU A 79 20.008 -2.074 10.661 1.00 0.29 C ATOM 1268 O LEU A 79 21.198 -1.923 10.847 1.00 0.44 O ATOM 1269 CB LEU A 79 19.069 -3.987 9.352 1.00 0.11 C ATOM 1270 CG LEU A 79 19.095 -4.594 7.950 1.00 0.21 C ATOM 1271 CD1 LEU A 79 20.233 -5.610 7.851 1.00 0.40 C ATOM 1272 CD2 LEU A 79 17.764 -5.297 7.678 1.00 0.40 C ATOM 0 H LEU A 79 20.796 -3.125 7.729 1.00 0.24 H new ATOM 0 HA LEU A 79 18.572 -1.903 9.058 1.00 0.17 H new ATOM 0 HB2 LEU A 79 19.761 -4.523 10.001 1.00 0.11 H new ATOM 0 HB3 LEU A 79 18.075 -4.097 9.786 1.00 0.11 H new ATOM 0 HG LEU A 79 19.250 -3.803 7.216 1.00 0.21 H new ATOM 0 HD11 LEU A 79 20.249 -6.042 6.850 1.00 0.40 H new ATOM 0 HD12 LEU A 79 21.183 -5.113 8.047 1.00 0.40 H new ATOM 0 HD13 LEU A 79 20.079 -6.401 8.585 1.00 0.40 H new ATOM 0 HD21 LEU A 79 17.779 -5.731 6.678 1.00 0.40 H new ATOM 0 HD22 LEU A 79 17.612 -6.086 8.414 1.00 0.40 H new ATOM 0 HD23 LEU A 79 16.950 -4.575 7.747 1.00 0.40 H new ATOM 1284 N LEU A 80 19.145 -1.871 11.623 1.00 0.25 N ATOM 1285 CA LEU A 80 19.605 -1.461 12.981 1.00 0.37 C ATOM 1286 C LEU A 80 19.343 -2.607 13.968 1.00 0.36 C ATOM 1287 O LEU A 80 18.217 -3.015 14.161 1.00 0.29 O ATOM 1288 CB LEU A 80 18.828 -0.218 13.418 1.00 0.43 C ATOM 1289 CG LEU A 80 18.888 -0.083 14.940 1.00 1.87 C ATOM 1290 CD1 LEU A 80 20.345 0.042 15.384 1.00 2.82 C ATOM 1291 CD2 LEU A 80 18.114 1.166 15.366 1.00 2.96 C ATOM 0 H LEU A 80 18.135 -1.973 11.524 1.00 0.25 H new ATOM 0 HA LEU A 80 20.671 -1.235 12.961 1.00 0.37 H new ATOM 0 HB2 LEU A 80 19.249 0.670 12.947 1.00 0.43 H new ATOM 0 HB3 LEU A 80 17.791 -0.291 13.090 1.00 0.43 H new ATOM 0 HG LEU A 80 18.444 -0.964 15.404 1.00 1.87 H new ATOM 0 HD11 LEU A 80 20.388 0.138 16.469 1.00 2.82 H new ATOM 0 HD12 LEU A 80 20.897 -0.846 15.076 1.00 2.82 H new ATOM 0 HD13 LEU A 80 20.791 0.924 14.924 1.00 2.82 H new ATOM 0 HD21 LEU A 80 18.154 1.266 16.451 1.00 2.96 H new ATOM 0 HD22 LEU A 80 18.560 2.046 14.903 1.00 2.96 H new ATOM 0 HD23 LEU A 80 17.075 1.076 15.048 1.00 2.96 H new ATOM 1303 N LEU A 81 20.358 -3.132 14.599 1.00 0.45 N ATOM 1304 CA LEU A 81 20.135 -4.234 15.565 1.00 0.49 C ATOM 1305 C LEU A 81 20.620 -3.833 16.929 1.00 0.59 C ATOM 1306 O LEU A 81 21.780 -3.517 17.106 1.00 0.54 O ATOM 1307 CB LEU A 81 20.948 -5.471 15.203 1.00 0.50 C ATOM 1308 CG LEU A 81 20.031 -6.555 14.641 1.00 0.53 C ATOM 1309 CD1 LEU A 81 20.854 -7.811 14.377 1.00 0.59 C ATOM 1310 CD2 LEU A 81 18.935 -6.875 15.659 1.00 0.47 C ATOM 0 H LEU A 81 21.329 -2.843 14.485 1.00 0.45 H new ATOM 0 HA LEU A 81 19.066 -4.445 15.545 1.00 0.49 H new ATOM 0 HB2 LEU A 81 21.711 -5.212 14.469 1.00 0.50 H new ATOM 0 HB3 LEU A 81 21.468 -5.845 16.085 1.00 0.50 H new ATOM 0 HG LEU A 81 19.575 -6.207 13.714 1.00 0.53 H new ATOM 0 HD11 LEU A 81 20.208 -8.592 13.975 1.00 0.59 H new ATOM 0 HD12 LEU A 81 21.641 -7.586 13.658 1.00 0.59 H new ATOM 0 HD13 LEU A 81 21.302 -8.155 15.309 1.00 0.59 H new ATOM 0 HD21 LEU A 81 18.280 -7.649 15.258 1.00 0.47 H new ATOM 0 HD22 LEU A 81 19.390 -7.228 16.584 1.00 0.47 H new ATOM 0 HD23 LEU A 81 18.353 -5.976 15.861 1.00 0.47 H new ATOM 1322 N HIS A 82 19.799 -3.945 17.909 1.00 0.73 N ATOM 1323 CA HIS A 82 20.322 -3.683 19.260 1.00 0.84 C ATOM 1324 C HIS A 82 21.503 -4.645 19.332 1.00 0.70 C ATOM 1325 O HIS A 82 21.419 -5.751 18.835 1.00 0.65 O ATOM 1326 CB HIS A 82 19.267 -3.996 20.326 1.00 1.06 C ATOM 1327 CG HIS A 82 18.840 -2.710 20.982 1.00 1.34 C ATOM 1328 ND1 HIS A 82 17.561 -2.191 20.839 1.00 1.93 N ATOM 1329 CD2 HIS A 82 19.517 -1.822 21.782 1.00 1.31 C ATOM 1330 CE1 HIS A 82 17.511 -1.040 21.535 1.00 2.08 C ATOM 1331 NE2 HIS A 82 18.676 -0.769 22.130 1.00 1.76 N ATOM 0 H HIS A 82 18.813 -4.199 17.844 1.00 0.73 H new ATOM 0 HA HIS A 82 20.598 -2.644 19.439 1.00 0.84 H new ATOM 0 HB2 HIS A 82 18.408 -4.491 19.873 1.00 1.06 H new ATOM 0 HB3 HIS A 82 19.674 -4.681 21.069 1.00 1.06 H new ATOM 0 HD2 HIS A 82 20.546 -1.925 22.094 1.00 1.31 H new ATOM 0 HE1 HIS A 82 16.635 -0.412 21.604 1.00 2.08 H new ATOM 0 HE2 HIS A 82 18.901 0.037 22.714 1.00 1.76 H new ATOM 1339 N LYS A 83 22.624 -4.238 19.823 1.00 0.65 N ATOM 1340 CA LYS A 83 23.793 -5.156 19.757 1.00 0.53 C ATOM 1341 C LYS A 83 23.522 -6.481 20.464 1.00 0.59 C ATOM 1342 O LYS A 83 23.986 -7.517 20.030 1.00 0.56 O ATOM 1343 CB LYS A 83 25.011 -4.482 20.383 1.00 0.51 C ATOM 1344 CG LYS A 83 26.250 -5.337 20.127 1.00 0.35 C ATOM 1345 CD LYS A 83 26.641 -6.068 21.411 1.00 0.60 C ATOM 1346 CE LYS A 83 28.115 -5.799 21.719 1.00 0.23 C ATOM 1347 NZ LYS A 83 28.221 -4.702 22.722 1.00 1.82 N ATOM 0 H LYS A 83 22.790 -3.331 20.260 1.00 0.65 H new ATOM 0 HA LYS A 83 23.982 -5.374 18.706 1.00 0.53 H new ATOM 0 HB2 LYS A 83 25.148 -3.487 19.959 1.00 0.51 H new ATOM 0 HB3 LYS A 83 24.859 -4.354 21.455 1.00 0.51 H new ATOM 0 HG2 LYS A 83 26.050 -6.057 19.333 1.00 0.35 H new ATOM 0 HG3 LYS A 83 27.074 -4.709 19.788 1.00 0.35 H new ATOM 0 HD2 LYS A 83 26.017 -5.731 22.239 1.00 0.60 H new ATOM 0 HD3 LYS A 83 26.471 -7.139 21.299 1.00 0.60 H new ATOM 0 HE2 LYS A 83 28.588 -6.703 22.102 1.00 0.23 H new ATOM 0 HE3 LYS A 83 28.644 -5.524 20.806 1.00 0.23 H new ATOM 0 HZ1 LYS A 83 29.223 -4.519 22.932 1.00 1.82 H new ATOM 0 HZ2 LYS A 83 27.784 -3.839 22.340 1.00 1.82 H new ATOM 0 HZ3 LYS A 83 27.730 -4.981 23.595 1.00 1.82 H new ATOM 1361 N HIS A 84 22.789 -6.490 21.530 1.00 0.68 N ATOM 1362 CA HIS A 84 22.533 -7.791 22.199 1.00 0.74 C ATOM 1363 C HIS A 84 21.867 -8.733 21.189 1.00 0.70 C ATOM 1364 O HIS A 84 22.079 -9.929 21.199 1.00 0.72 O ATOM 1365 CB HIS A 84 21.611 -7.578 23.401 1.00 0.84 C ATOM 1366 CG HIS A 84 22.305 -8.048 24.651 1.00 0.58 C ATOM 1367 ND1 HIS A 84 21.967 -7.571 25.908 1.00 1.24 N ATOM 1368 CD2 HIS A 84 23.316 -8.954 24.854 1.00 0.75 C ATOM 1369 CE1 HIS A 84 22.761 -8.190 26.803 1.00 0.75 C ATOM 1370 NE2 HIS A 84 23.603 -9.042 26.214 1.00 0.68 N ATOM 0 H HIS A 84 22.361 -5.672 21.964 1.00 0.68 H new ATOM 0 HA HIS A 84 23.469 -8.225 22.549 1.00 0.74 H new ATOM 0 HB2 HIS A 84 21.350 -6.524 23.491 1.00 0.84 H new ATOM 0 HB3 HIS A 84 20.679 -8.126 23.261 1.00 0.84 H new ATOM 0 HD2 HIS A 84 23.814 -9.514 24.076 1.00 0.75 H new ATOM 0 HE1 HIS A 84 22.721 -8.018 27.868 1.00 0.75 H new ATOM 0 HE2 HIS A 84 24.305 -9.630 26.663 1.00 0.68 H new ATOM 1378 N GLU A 85 21.060 -8.188 20.319 1.00 0.64 N ATOM 1379 CA GLU A 85 20.360 -9.018 19.292 1.00 0.59 C ATOM 1380 C GLU A 85 21.326 -9.483 18.192 1.00 0.50 C ATOM 1381 O GLU A 85 21.188 -10.559 17.645 1.00 0.51 O ATOM 1382 CB GLU A 85 19.269 -8.170 18.633 1.00 0.56 C ATOM 1383 CG GLU A 85 18.327 -7.612 19.704 1.00 0.53 C ATOM 1384 CD GLU A 85 17.764 -8.762 20.541 1.00 0.53 C ATOM 1385 OE1 GLU A 85 18.422 -9.158 21.489 1.00 1.40 O ATOM 1386 OE2 GLU A 85 16.683 -9.230 20.219 1.00 0.43 O ATOM 0 H GLU A 85 20.852 -7.190 20.275 1.00 0.64 H new ATOM 0 HA GLU A 85 19.943 -9.893 19.790 1.00 0.59 H new ATOM 0 HB2 GLU A 85 19.721 -7.352 18.071 1.00 0.56 H new ATOM 0 HB3 GLU A 85 18.707 -8.774 17.920 1.00 0.56 H new ATOM 0 HG2 GLU A 85 18.862 -6.911 20.344 1.00 0.53 H new ATOM 0 HG3 GLU A 85 17.514 -7.058 19.235 1.00 0.53 H new ATOM 1393 N LEU A 86 22.252 -8.646 17.818 1.00 0.44 N ATOM 1394 CA LEU A 86 23.183 -8.983 16.697 1.00 0.38 C ATOM 1395 C LEU A 86 24.088 -10.185 17.000 1.00 0.34 C ATOM 1396 O LEU A 86 24.270 -11.050 16.171 1.00 0.35 O ATOM 1397 CB LEU A 86 24.068 -7.753 16.447 1.00 0.37 C ATOM 1398 CG LEU A 86 25.018 -8.008 15.275 1.00 0.34 C ATOM 1399 CD1 LEU A 86 26.176 -8.903 15.728 1.00 2.91 C ATOM 1400 CD2 LEU A 86 24.255 -8.691 14.139 1.00 2.56 C ATOM 0 H LEU A 86 22.408 -7.732 18.243 1.00 0.44 H new ATOM 0 HA LEU A 86 22.581 -9.252 15.829 1.00 0.38 H new ATOM 0 HB2 LEU A 86 23.444 -6.885 16.235 1.00 0.37 H new ATOM 0 HB3 LEU A 86 24.642 -7.521 17.344 1.00 0.37 H new ATOM 0 HG LEU A 86 25.419 -7.057 14.924 1.00 0.34 H new ATOM 0 HD11 LEU A 86 26.848 -9.081 14.889 1.00 2.91 H new ATOM 0 HD12 LEU A 86 26.722 -8.412 16.533 1.00 2.91 H new ATOM 0 HD13 LEU A 86 25.782 -9.855 16.085 1.00 2.91 H new ATOM 0 HD21 LEU A 86 24.932 -8.873 13.304 1.00 2.56 H new ATOM 0 HD22 LEU A 86 23.850 -9.640 14.491 1.00 2.56 H new ATOM 0 HD23 LEU A 86 23.438 -8.048 13.811 1.00 2.56 H new ATOM 1412 N ARG A 87 24.712 -10.214 18.135 1.00 0.30 N ATOM 1413 CA ARG A 87 25.675 -11.324 18.436 1.00 0.28 C ATOM 1414 C ARG A 87 25.021 -12.690 18.747 1.00 0.28 C ATOM 1415 O ARG A 87 25.627 -13.717 18.511 1.00 0.28 O ATOM 1416 CB ARG A 87 26.528 -10.911 19.637 1.00 0.23 C ATOM 1417 CG ARG A 87 27.557 -12.004 19.933 1.00 0.43 C ATOM 1418 CD ARG A 87 28.966 -11.445 19.732 1.00 0.68 C ATOM 1419 NE ARG A 87 29.694 -12.287 18.743 1.00 1.78 N ATOM 1420 CZ ARG A 87 30.185 -13.440 19.105 1.00 2.02 C ATOM 1421 NH1 ARG A 87 29.406 -14.484 19.192 1.00 2.98 N ATOM 1422 NH2 ARG A 87 31.455 -13.550 19.383 1.00 1.65 N ATOM 0 H ARG A 87 24.604 -9.521 18.876 1.00 0.30 H new ATOM 0 HA ARG A 87 26.261 -11.470 17.529 1.00 0.28 H new ATOM 0 HB2 ARG A 87 27.033 -9.968 19.430 1.00 0.23 H new ATOM 0 HB3 ARG A 87 25.894 -10.749 20.508 1.00 0.23 H new ATOM 0 HG2 ARG A 87 27.439 -12.362 20.956 1.00 0.43 H new ATOM 0 HG3 ARG A 87 27.396 -12.858 19.275 1.00 0.43 H new ATOM 0 HD2 ARG A 87 28.914 -10.414 19.381 1.00 0.68 H new ATOM 0 HD3 ARG A 87 29.503 -11.432 20.680 1.00 0.68 H new ATOM 0 HE ARG A 87 29.809 -11.962 17.783 1.00 1.78 H new ATOM 0 HH11 ARG A 87 28.413 -14.398 18.977 1.00 2.98 H new ATOM 0 HH12 ARG A 87 29.791 -15.385 19.475 1.00 2.98 H new ATOM 0 HH21 ARG A 87 32.064 -12.734 19.317 1.00 1.65 H new ATOM 0 HH22 ARG A 87 31.839 -14.452 19.666 1.00 1.65 H new ATOM 1436 N ARG A 88 23.862 -12.744 19.347 1.00 0.29 N ATOM 1437 CA ARG A 88 23.306 -14.089 19.733 1.00 0.29 C ATOM 1438 C ARG A 88 22.812 -14.943 18.547 1.00 0.34 C ATOM 1439 O ARG A 88 23.148 -16.107 18.453 1.00 0.39 O ATOM 1440 CB ARG A 88 22.146 -13.885 20.704 1.00 0.33 C ATOM 1441 CG ARG A 88 22.121 -15.036 21.711 1.00 0.76 C ATOM 1442 CD ARG A 88 20.688 -15.542 21.872 1.00 1.30 C ATOM 1443 NE ARG A 88 20.552 -16.265 23.171 1.00 0.78 N ATOM 1444 CZ ARG A 88 21.020 -17.480 23.304 1.00 1.76 C ATOM 1445 NH1 ARG A 88 21.073 -18.285 22.279 1.00 4.28 N ATOM 1446 NH2 ARG A 88 21.427 -17.893 24.473 1.00 0.92 N ATOM 0 H ARG A 88 23.282 -11.940 19.585 1.00 0.29 H new ATOM 0 HA ARG A 88 24.132 -14.639 20.185 1.00 0.29 H new ATOM 0 HB2 ARG A 88 22.255 -12.934 21.225 1.00 0.33 H new ATOM 0 HB3 ARG A 88 21.203 -13.843 20.159 1.00 0.33 H new ATOM 0 HG2 ARG A 88 22.767 -15.845 21.371 1.00 0.76 H new ATOM 0 HG3 ARG A 88 22.510 -14.700 22.673 1.00 0.76 H new ATOM 0 HD2 ARG A 88 19.991 -14.705 21.836 1.00 1.30 H new ATOM 0 HD3 ARG A 88 20.432 -16.206 21.047 1.00 1.30 H new ATOM 0 HE ARG A 88 20.092 -15.810 23.959 1.00 0.78 H new ATOM 0 HH11 ARG A 88 20.748 -17.969 21.365 1.00 4.28 H new ATOM 0 HH12 ARG A 88 21.439 -19.230 22.391 1.00 4.28 H new ATOM 0 HH21 ARG A 88 21.380 -17.270 25.279 1.00 0.92 H new ATOM 0 HH22 ARG A 88 21.792 -18.839 24.581 1.00 0.92 H new ATOM 1460 N LEU A 89 22.008 -14.422 17.664 1.00 0.40 N ATOM 1461 CA LEU A 89 21.506 -15.278 16.535 1.00 0.53 C ATOM 1462 C LEU A 89 22.593 -15.458 15.476 1.00 0.42 C ATOM 1463 O LEU A 89 22.764 -16.527 14.925 1.00 0.43 O ATOM 1464 CB LEU A 89 20.239 -14.639 15.947 1.00 0.83 C ATOM 1465 CG LEU A 89 20.229 -14.586 14.402 1.00 0.78 C ATOM 1466 CD1 LEU A 89 21.241 -13.578 13.892 1.00 0.85 C ATOM 1467 CD2 LEU A 89 20.542 -15.941 13.771 1.00 0.48 C ATOM 0 H LEU A 89 21.677 -13.457 17.667 1.00 0.40 H new ATOM 0 HA LEU A 89 21.254 -16.271 16.907 1.00 0.53 H new ATOM 0 HB2 LEU A 89 19.368 -15.199 16.288 1.00 0.83 H new ATOM 0 HB3 LEU A 89 20.139 -13.626 16.337 1.00 0.83 H new ATOM 0 HG LEU A 89 19.220 -14.291 14.115 1.00 0.78 H new ATOM 0 HD11 LEU A 89 21.217 -13.557 12.802 1.00 0.85 H new ATOM 0 HD12 LEU A 89 20.996 -12.589 14.279 1.00 0.85 H new ATOM 0 HD13 LEU A 89 22.238 -13.862 14.227 1.00 0.85 H new ATOM 0 HD21 LEU A 89 20.523 -15.850 12.685 1.00 0.48 H new ATOM 0 HD22 LEU A 89 21.531 -16.271 14.090 1.00 0.48 H new ATOM 0 HD23 LEU A 89 19.796 -16.671 14.087 1.00 0.48 H new ATOM 1479 N LEU A 90 23.311 -14.423 15.175 1.00 0.39 N ATOM 1480 CA LEU A 90 24.368 -14.514 14.134 1.00 0.38 C ATOM 1481 C LEU A 90 25.460 -15.488 14.587 1.00 0.31 C ATOM 1482 O LEU A 90 26.100 -16.135 13.787 1.00 0.31 O ATOM 1483 CB LEU A 90 24.946 -13.106 13.907 1.00 0.39 C ATOM 1484 CG LEU A 90 26.460 -13.171 13.642 1.00 0.66 C ATOM 1485 CD1 LEU A 90 26.720 -13.626 12.207 1.00 2.07 C ATOM 1486 CD2 LEU A 90 27.057 -11.782 13.847 1.00 3.12 C ATOM 0 H LEU A 90 23.212 -13.505 15.609 1.00 0.39 H new ATOM 0 HA LEU A 90 23.952 -14.889 13.199 1.00 0.38 H new ATOM 0 HB2 LEU A 90 24.445 -12.634 13.062 1.00 0.39 H new ATOM 0 HB3 LEU A 90 24.752 -12.484 14.780 1.00 0.39 H new ATOM 0 HG LEU A 90 26.919 -13.882 14.329 1.00 0.66 H new ATOM 0 HD11 LEU A 90 27.794 -13.669 12.028 1.00 2.07 H new ATOM 0 HD12 LEU A 90 26.287 -14.614 12.055 1.00 2.07 H new ATOM 0 HD13 LEU A 90 26.265 -12.919 11.513 1.00 2.07 H new ATOM 0 HD21 LEU A 90 28.131 -11.816 13.662 1.00 3.12 H new ATOM 0 HD22 LEU A 90 26.592 -11.080 13.155 1.00 3.12 H new ATOM 0 HD23 LEU A 90 26.876 -11.456 14.871 1.00 3.12 H new ATOM 1498 N GLY A 91 25.709 -15.549 15.861 1.00 0.25 N ATOM 1499 CA GLY A 91 26.798 -16.426 16.383 1.00 0.17 C ATOM 1500 C GLY A 91 26.594 -17.919 16.056 1.00 0.13 C ATOM 1501 O GLY A 91 27.537 -18.682 16.126 1.00 0.04 O ATOM 0 H GLY A 91 25.202 -15.025 16.574 1.00 0.25 H new ATOM 0 HA2 GLY A 91 27.750 -16.097 15.966 1.00 0.17 H new ATOM 0 HA3 GLY A 91 26.865 -16.305 17.464 1.00 0.17 H new ATOM 1505 N LYS A 92 25.406 -18.379 15.739 1.00 0.24 N ATOM 1506 CA LYS A 92 25.269 -19.847 15.475 1.00 0.30 C ATOM 1507 C LYS A 92 25.623 -20.204 14.022 1.00 0.37 C ATOM 1508 O LYS A 92 26.070 -21.299 13.746 1.00 0.41 O ATOM 1509 CB LYS A 92 23.850 -20.302 15.803 1.00 0.44 C ATOM 1510 CG LYS A 92 23.806 -20.708 17.278 1.00 0.59 C ATOM 1511 CD LYS A 92 22.743 -21.785 17.492 1.00 0.52 C ATOM 1512 CE LYS A 92 23.321 -22.900 18.362 1.00 1.50 C ATOM 1513 NZ LYS A 92 23.737 -22.334 19.676 1.00 1.42 N ATOM 0 H LYS A 92 24.554 -17.825 15.654 1.00 0.24 H new ATOM 0 HA LYS A 92 25.976 -20.370 16.119 1.00 0.30 H new ATOM 0 HB2 LYS A 92 23.139 -19.499 15.609 1.00 0.44 H new ATOM 0 HB3 LYS A 92 23.564 -21.141 15.169 1.00 0.44 H new ATOM 0 HG2 LYS A 92 24.781 -21.081 17.590 1.00 0.59 H new ATOM 0 HG3 LYS A 92 23.584 -19.838 17.897 1.00 0.59 H new ATOM 0 HD2 LYS A 92 21.863 -21.354 17.970 1.00 0.52 H new ATOM 0 HD3 LYS A 92 22.419 -22.188 16.532 1.00 0.52 H new ATOM 0 HE2 LYS A 92 22.578 -23.684 18.510 1.00 1.50 H new ATOM 0 HE3 LYS A 92 24.175 -23.360 17.864 1.00 1.50 H new ATOM 0 HZ1 LYS A 92 23.775 -23.094 20.385 1.00 1.42 H new ATOM 0 HZ2 LYS A 92 24.677 -21.899 19.585 1.00 1.42 H new ATOM 0 HZ3 LYS A 92 23.050 -21.614 19.977 1.00 1.42 H new ATOM 1527 N VAL A 93 25.432 -19.312 13.092 1.00 0.38 N ATOM 1528 CA VAL A 93 25.764 -19.632 11.670 1.00 0.44 C ATOM 1529 C VAL A 93 27.243 -19.974 11.513 1.00 0.56 C ATOM 1530 O VAL A 93 27.636 -20.709 10.629 1.00 0.58 O ATOM 1531 CB VAL A 93 25.483 -18.401 10.835 1.00 0.46 C ATOM 1532 CG1 VAL A 93 23.986 -18.144 10.810 1.00 0.45 C ATOM 1533 CG2 VAL A 93 26.201 -17.195 11.441 1.00 0.72 C ATOM 0 H VAL A 93 25.061 -18.375 13.251 1.00 0.38 H new ATOM 0 HA VAL A 93 25.166 -20.487 11.354 1.00 0.44 H new ATOM 0 HB VAL A 93 25.843 -18.559 9.818 1.00 0.46 H new ATOM 0 HG11 VAL A 93 23.779 -17.258 10.210 1.00 0.45 H new ATOM 0 HG12 VAL A 93 23.476 -19.004 10.376 1.00 0.45 H new ATOM 0 HG13 VAL A 93 23.627 -17.985 11.827 1.00 0.45 H new ATOM 0 HG21 VAL A 93 25.997 -16.310 10.838 1.00 0.72 H new ATOM 0 HG22 VAL A 93 25.844 -17.032 12.458 1.00 0.72 H new ATOM 0 HG23 VAL A 93 27.275 -17.382 11.460 1.00 0.72 H new ATOM 1543 N GLU A 94 28.056 -19.433 12.349 1.00 0.65 N ATOM 1544 CA GLU A 94 29.521 -19.692 12.257 1.00 0.77 C ATOM 1545 C GLU A 94 29.804 -21.203 12.298 1.00 0.79 C ATOM 1546 O GLU A 94 30.890 -21.641 11.977 1.00 0.87 O ATOM 1547 CB GLU A 94 30.219 -19.009 13.435 1.00 0.85 C ATOM 1548 CG GLU A 94 31.544 -19.713 13.730 1.00 2.06 C ATOM 1549 CD GLU A 94 32.450 -19.636 12.500 1.00 2.85 C ATOM 1550 OE1 GLU A 94 32.014 -19.088 11.499 1.00 4.10 O ATOM 1551 OE2 GLU A 94 33.564 -20.126 12.577 1.00 3.27 O ATOM 0 H GLU A 94 27.776 -18.811 13.108 1.00 0.65 H new ATOM 0 HA GLU A 94 29.897 -19.294 11.315 1.00 0.77 H new ATOM 0 HB2 GLU A 94 30.398 -17.959 13.204 1.00 0.85 H new ATOM 0 HB3 GLU A 94 29.578 -19.037 14.316 1.00 0.85 H new ATOM 0 HG2 GLU A 94 32.033 -19.246 14.585 1.00 2.06 H new ATOM 0 HG3 GLU A 94 31.363 -20.754 13.996 1.00 2.06 H new ATOM 1558 N GLN A 95 28.846 -22.000 12.686 1.00 0.73 N ATOM 1559 CA GLN A 95 29.080 -23.473 12.735 1.00 0.76 C ATOM 1560 C GLN A 95 29.751 -23.931 11.437 1.00 0.78 C ATOM 1561 O GLN A 95 30.958 -24.036 11.357 1.00 0.84 O ATOM 1562 CB GLN A 95 27.744 -24.197 12.904 1.00 0.69 C ATOM 1563 CG GLN A 95 27.530 -24.535 14.380 1.00 0.66 C ATOM 1564 CD GLN A 95 26.784 -23.387 15.062 1.00 2.35 C ATOM 1565 OE1 GLN A 95 27.383 -22.408 15.460 1.00 4.12 O ATOM 1566 NE2 GLN A 95 25.491 -23.467 15.213 1.00 2.82 N ATOM 0 H GLN A 95 27.914 -21.697 12.970 1.00 0.73 H new ATOM 0 HA GLN A 95 29.729 -23.708 13.579 1.00 0.76 H new ATOM 0 HB2 GLN A 95 26.930 -23.569 12.542 1.00 0.69 H new ATOM 0 HB3 GLN A 95 27.734 -25.108 12.306 1.00 0.69 H new ATOM 0 HG2 GLN A 95 26.960 -25.460 14.474 1.00 0.66 H new ATOM 0 HG3 GLN A 95 28.490 -24.701 14.869 1.00 0.66 H new ATOM 0 HE21 GLN A 95 24.988 -24.289 14.879 1.00 2.82 H new ATOM 0 HE22 GLN A 95 24.982 -22.707 15.665 1.00 2.82 H new ATOM 1575 N LYS A 96 28.979 -24.209 10.418 1.00 0.73 N ATOM 1576 CA LYS A 96 29.578 -24.662 9.131 1.00 0.74 C ATOM 1577 C LYS A 96 28.464 -24.959 8.127 1.00 0.67 C ATOM 1578 O LYS A 96 27.709 -25.900 8.282 1.00 0.64 O ATOM 1579 CB LYS A 96 30.397 -25.930 9.367 1.00 0.80 C ATOM 1580 CG LYS A 96 31.224 -26.241 8.120 1.00 0.78 C ATOM 1581 CD LYS A 96 32.702 -25.969 8.407 1.00 0.51 C ATOM 1582 CE LYS A 96 33.354 -27.238 8.957 1.00 1.69 C ATOM 1583 NZ LYS A 96 34.712 -26.914 9.482 1.00 0.49 N ATOM 0 H LYS A 96 27.961 -24.141 10.423 1.00 0.73 H new ATOM 0 HA LYS A 96 30.225 -23.878 8.738 1.00 0.74 H new ATOM 0 HB2 LYS A 96 31.053 -25.797 10.228 1.00 0.80 H new ATOM 0 HB3 LYS A 96 29.736 -26.766 9.596 1.00 0.80 H new ATOM 0 HG2 LYS A 96 31.085 -27.282 7.829 1.00 0.78 H new ATOM 0 HG3 LYS A 96 30.886 -25.628 7.284 1.00 0.78 H new ATOM 0 HD2 LYS A 96 33.209 -25.652 7.495 1.00 0.51 H new ATOM 0 HD3 LYS A 96 32.801 -25.155 9.126 1.00 0.51 H new ATOM 0 HE2 LYS A 96 32.738 -27.662 9.750 1.00 1.69 H new ATOM 0 HE3 LYS A 96 33.426 -27.991 8.173 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 35.155 -27.778 9.856 1.00 0.49 H new ATOM 0 HZ2 LYS A 96 35.298 -26.529 8.714 1.00 0.49 H new ATOM 0 HZ3 LYS A 96 34.631 -26.209 10.243 1.00 0.49 H new ATOM 1597 N GLY A 97 28.354 -24.166 7.098 1.00 0.65 N ATOM 1598 CA GLY A 97 27.286 -24.403 6.084 1.00 0.58 C ATOM 1599 C GLY A 97 26.021 -23.645 6.494 1.00 0.48 C ATOM 1600 O GLY A 97 24.943 -23.893 5.992 1.00 0.31 O ATOM 0 H GLY A 97 28.957 -23.364 6.914 1.00 0.65 H new ATOM 0 HA2 GLY A 97 27.621 -24.070 5.102 1.00 0.58 H new ATOM 0 HA3 GLY A 97 27.075 -25.469 6.004 1.00 0.58 H new ATOM 1604 N LEU A 98 26.148 -22.717 7.405 1.00 0.67 N ATOM 1605 CA LEU A 98 24.962 -21.935 7.854 1.00 0.58 C ATOM 1606 C LEU A 98 25.020 -20.532 7.259 1.00 0.61 C ATOM 1607 O LEU A 98 26.084 -20.018 6.971 1.00 0.67 O ATOM 1608 CB LEU A 98 24.976 -21.771 9.370 1.00 0.55 C ATOM 1609 CG LEU A 98 24.445 -23.024 10.043 1.00 0.53 C ATOM 1610 CD1 LEU A 98 24.959 -24.262 9.303 1.00 0.58 C ATOM 1611 CD2 LEU A 98 24.927 -23.063 11.493 1.00 0.56 C ATOM 0 H LEU A 98 27.027 -22.467 7.859 1.00 0.67 H new ATOM 0 HA LEU A 98 24.067 -22.468 7.533 1.00 0.58 H new ATOM 0 HB2 LEU A 98 25.992 -21.570 9.711 1.00 0.55 H new ATOM 0 HB3 LEU A 98 24.368 -20.912 9.655 1.00 0.55 H new ATOM 0 HG LEU A 98 23.355 -23.014 10.019 1.00 0.53 H new ATOM 0 HD11 LEU A 98 24.577 -25.160 9.788 1.00 0.58 H new ATOM 0 HD12 LEU A 98 24.618 -24.235 8.268 1.00 0.58 H new ATOM 0 HD13 LEU A 98 26.049 -24.273 9.326 1.00 0.58 H new ATOM 0 HD21 LEU A 98 24.547 -23.962 11.979 1.00 0.56 H new ATOM 0 HD22 LEU A 98 26.017 -23.072 11.514 1.00 0.56 H new ATOM 0 HD23 LEU A 98 24.561 -22.183 12.022 1.00 0.56 H new ATOM 1623 N THR A 99 23.899 -19.890 7.096 1.00 0.56 N ATOM 1624 CA THR A 99 23.935 -18.502 6.549 1.00 0.59 C ATOM 1625 C THR A 99 23.206 -17.552 7.493 1.00 0.56 C ATOM 1626 O THR A 99 22.505 -17.962 8.397 1.00 0.49 O ATOM 1627 CB THR A 99 23.260 -18.440 5.170 1.00 0.60 C ATOM 1628 OG1 THR A 99 22.769 -19.726 4.821 1.00 0.66 O ATOM 1629 CG2 THR A 99 24.282 -17.984 4.129 1.00 0.53 C ATOM 0 H THR A 99 22.972 -20.256 7.313 1.00 0.56 H new ATOM 0 HA THR A 99 24.979 -18.206 6.451 1.00 0.59 H new ATOM 0 HB THR A 99 22.430 -17.735 5.202 1.00 0.60 H new ATOM 0 HG1 THR A 99 22.930 -19.890 3.868 1.00 0.66 H new ATOM 0 HG21 THR A 99 23.807 -17.939 3.149 1.00 0.53 H new ATOM 0 HG22 THR A 99 24.658 -16.996 4.396 1.00 0.53 H new ATOM 0 HG23 THR A 99 25.111 -18.691 4.098 1.00 0.53 H new ATOM 1637 N LEU A 100 23.321 -16.280 7.244 1.00 0.64 N ATOM 1638 CA LEU A 100 22.603 -15.288 8.061 1.00 0.62 C ATOM 1639 C LEU A 100 21.891 -14.393 7.074 1.00 0.67 C ATOM 1640 O LEU A 100 22.466 -13.831 6.163 1.00 0.77 O ATOM 1641 CB LEU A 100 23.576 -14.481 8.905 1.00 0.64 C ATOM 1642 CG LEU A 100 24.980 -14.932 8.564 1.00 0.84 C ATOM 1643 CD1 LEU A 100 25.285 -14.413 7.171 1.00 0.89 C ATOM 1644 CD2 LEU A 100 25.953 -14.355 9.581 1.00 1.15 C ATOM 0 H LEU A 100 23.893 -15.887 6.496 1.00 0.64 H new ATOM 0 HA LEU A 100 21.908 -15.764 8.753 1.00 0.62 H new ATOM 0 HB2 LEU A 100 23.460 -13.416 8.706 1.00 0.64 H new ATOM 0 HB3 LEU A 100 23.375 -14.631 9.966 1.00 0.64 H new ATOM 0 HG LEU A 100 25.073 -16.018 8.590 1.00 0.84 H new ATOM 0 HD11 LEU A 100 26.292 -14.716 6.882 1.00 0.89 H new ATOM 0 HD12 LEU A 100 24.565 -14.825 6.464 1.00 0.89 H new ATOM 0 HD13 LEU A 100 25.218 -13.325 7.165 1.00 0.89 H new ATOM 0 HD21 LEU A 100 26.966 -14.677 9.339 1.00 1.15 H new ATOM 0 HD22 LEU A 100 25.903 -13.266 9.556 1.00 1.15 H new ATOM 0 HD23 LEU A 100 25.689 -14.707 10.578 1.00 1.15 H new ATOM 1656 N VAL A 101 20.639 -14.319 7.215 1.00 0.64 N ATOM 1657 CA VAL A 101 19.837 -13.530 6.258 1.00 0.73 C ATOM 1658 C VAL A 101 18.611 -12.899 6.938 1.00 0.68 C ATOM 1659 O VAL A 101 17.808 -13.610 7.488 1.00 0.63 O ATOM 1660 CB VAL A 101 19.392 -14.515 5.168 1.00 0.81 C ATOM 1661 CG1 VAL A 101 18.724 -15.727 5.818 1.00 1.33 C ATOM 1662 CG2 VAL A 101 18.399 -13.841 4.222 1.00 0.64 C ATOM 0 H VAL A 101 20.108 -14.772 7.959 1.00 0.64 H new ATOM 0 HA VAL A 101 20.423 -12.707 5.849 1.00 0.73 H new ATOM 0 HB VAL A 101 20.267 -14.833 4.601 1.00 0.81 H new ATOM 0 HG11 VAL A 101 18.408 -16.427 5.044 1.00 1.33 H new ATOM 0 HG12 VAL A 101 19.432 -16.219 6.485 1.00 1.33 H new ATOM 0 HG13 VAL A 101 17.855 -15.401 6.389 1.00 1.33 H new ATOM 0 HG21 VAL A 101 18.091 -14.549 3.453 1.00 0.64 H new ATOM 0 HG22 VAL A 101 17.525 -13.513 4.785 1.00 0.64 H new ATOM 0 HG23 VAL A 101 18.872 -12.979 3.752 1.00 0.64 H new ATOM 1672 N PRO A 102 18.443 -11.602 6.813 1.00 0.81 N ATOM 1673 CA PRO A 102 17.244 -10.928 7.350 1.00 0.82 C ATOM 1674 C PRO A 102 16.089 -11.447 6.481 1.00 1.04 C ATOM 1675 O PRO A 102 15.772 -10.898 5.443 1.00 1.84 O ATOM 1676 CB PRO A 102 17.540 -9.438 7.139 1.00 0.93 C ATOM 1677 CG PRO A 102 18.620 -9.370 6.039 1.00 1.05 C ATOM 1678 CD PRO A 102 19.383 -10.709 6.113 1.00 1.03 C ATOM 0 HA PRO A 102 16.996 -11.102 8.397 1.00 0.82 H new ATOM 0 HB2 PRO A 102 16.641 -8.901 6.837 1.00 0.93 H new ATOM 0 HB3 PRO A 102 17.893 -8.976 8.061 1.00 0.93 H new ATOM 0 HG2 PRO A 102 18.169 -9.231 5.057 1.00 1.05 H new ATOM 0 HG3 PRO A 102 19.292 -8.528 6.203 1.00 1.05 H new ATOM 0 HD2 PRO A 102 19.631 -11.085 5.120 1.00 1.03 H new ATOM 0 HD3 PRO A 102 20.321 -10.607 6.658 1.00 1.03 H new ATOM 1686 N LEU A 103 15.554 -12.581 6.850 1.00 0.45 N ATOM 1687 CA LEU A 103 14.518 -13.268 6.020 1.00 0.62 C ATOM 1688 C LEU A 103 13.178 -12.539 5.944 1.00 0.60 C ATOM 1689 O LEU A 103 12.469 -12.686 4.972 1.00 0.75 O ATOM 1690 CB LEU A 103 14.313 -14.671 6.595 1.00 0.93 C ATOM 1691 CG LEU A 103 15.226 -15.648 5.861 1.00 2.45 C ATOM 1692 CD1 LEU A 103 15.384 -16.922 6.692 1.00 3.31 C ATOM 1693 CD2 LEU A 103 14.604 -15.991 4.510 1.00 3.09 C ATOM 0 H LEU A 103 15.797 -13.071 7.711 1.00 0.45 H new ATOM 0 HA LEU A 103 14.888 -13.291 4.995 1.00 0.62 H new ATOM 0 HB2 LEU A 103 14.536 -14.677 7.662 1.00 0.93 H new ATOM 0 HB3 LEU A 103 13.272 -14.974 6.485 1.00 0.93 H new ATOM 0 HG LEU A 103 16.206 -15.195 5.710 1.00 2.45 H new ATOM 0 HD11 LEU A 103 16.036 -17.620 6.167 1.00 3.31 H new ATOM 0 HD12 LEU A 103 15.821 -16.674 7.659 1.00 3.31 H new ATOM 0 HD13 LEU A 103 14.407 -17.382 6.843 1.00 3.31 H new ATOM 0 HD21 LEU A 103 15.251 -16.689 3.979 1.00 3.09 H new ATOM 0 HD22 LEU A 103 13.626 -16.448 4.665 1.00 3.09 H new ATOM 0 HD23 LEU A 103 14.490 -15.081 3.920 1.00 3.09 H new ATOM 1705 N LYS A 104 12.789 -11.776 6.913 1.00 0.53 N ATOM 1706 CA LYS A 104 11.465 -11.111 6.770 1.00 0.59 C ATOM 1707 C LYS A 104 11.560 -9.645 7.164 1.00 0.51 C ATOM 1708 O LYS A 104 11.950 -9.304 8.263 1.00 0.50 O ATOM 1709 CB LYS A 104 10.443 -11.812 7.663 1.00 0.74 C ATOM 1710 CG LYS A 104 9.671 -12.841 6.836 1.00 0.97 C ATOM 1711 CD LYS A 104 8.207 -12.411 6.717 1.00 1.12 C ATOM 1712 CE LYS A 104 7.300 -13.541 7.208 1.00 1.97 C ATOM 1713 NZ LYS A 104 7.193 -13.483 8.695 1.00 1.25 N ATOM 0 H LYS A 104 13.304 -11.584 7.772 1.00 0.53 H new ATOM 0 HA LYS A 104 11.151 -11.176 5.728 1.00 0.59 H new ATOM 0 HB2 LYS A 104 10.947 -12.302 8.496 1.00 0.74 H new ATOM 0 HB3 LYS A 104 9.755 -11.082 8.091 1.00 0.74 H new ATOM 0 HG2 LYS A 104 10.115 -12.933 5.845 1.00 0.97 H new ATOM 0 HG3 LYS A 104 9.735 -13.822 7.306 1.00 0.97 H new ATOM 0 HD2 LYS A 104 8.033 -11.510 7.305 1.00 1.12 H new ATOM 0 HD3 LYS A 104 7.972 -12.166 5.681 1.00 1.12 H new ATOM 0 HE2 LYS A 104 6.311 -13.450 6.758 1.00 1.97 H new ATOM 0 HE3 LYS A 104 7.703 -14.505 6.899 1.00 1.97 H new ATOM 0 HZ1 LYS A 104 6.576 -14.251 9.029 1.00 1.25 H new ATOM 0 HZ2 LYS A 104 8.138 -13.590 9.116 1.00 1.25 H new ATOM 0 HZ3 LYS A 104 6.790 -12.567 8.979 1.00 1.25 H new ATOM 1727 N ILE A 105 11.191 -8.775 6.270 1.00 0.53 N ATOM 1728 CA ILE A 105 11.244 -7.322 6.587 1.00 0.54 C ATOM 1729 C ILE A 105 9.822 -6.740 6.584 1.00 0.61 C ATOM 1730 O ILE A 105 9.048 -6.965 5.677 1.00 0.99 O ATOM 1731 CB ILE A 105 12.108 -6.595 5.547 1.00 0.55 C ATOM 1732 CG1 ILE A 105 13.418 -6.141 6.206 1.00 0.44 C ATOM 1733 CG2 ILE A 105 11.354 -5.374 5.015 1.00 1.15 C ATOM 1734 CD1 ILE A 105 14.265 -5.347 5.202 1.00 0.57 C ATOM 0 H ILE A 105 10.855 -9.005 5.335 1.00 0.53 H new ATOM 0 HA ILE A 105 11.685 -7.185 7.574 1.00 0.54 H new ATOM 0 HB ILE A 105 12.328 -7.270 4.720 1.00 0.55 H new ATOM 0 HG12 ILE A 105 13.201 -5.525 7.078 1.00 0.44 H new ATOM 0 HG13 ILE A 105 13.976 -7.008 6.559 1.00 0.44 H new ATOM 0 HG21 ILE A 105 11.969 -4.860 4.277 1.00 1.15 H new ATOM 0 HG22 ILE A 105 10.422 -5.696 4.550 1.00 1.15 H new ATOM 0 HG23 ILE A 105 11.133 -4.696 5.839 1.00 1.15 H new ATOM 0 HD11 ILE A 105 15.192 -5.029 5.679 1.00 0.57 H new ATOM 0 HD12 ILE A 105 14.496 -5.977 4.343 1.00 0.57 H new ATOM 0 HD13 ILE A 105 13.709 -4.470 4.870 1.00 0.57 H new ATOM 1746 N TYR A 106 9.489 -5.983 7.596 1.00 0.37 N ATOM 1747 CA TYR A 106 8.140 -5.346 7.685 1.00 0.33 C ATOM 1748 C TYR A 106 8.377 -3.847 7.846 1.00 0.32 C ATOM 1749 O TYR A 106 9.334 -3.447 8.473 1.00 0.31 O ATOM 1750 CB TYR A 106 7.387 -5.887 8.905 1.00 0.35 C ATOM 1751 CG TYR A 106 6.719 -7.196 8.551 1.00 0.88 C ATOM 1752 CD1 TYR A 106 5.479 -7.196 7.900 1.00 1.66 C ATOM 1753 CD2 TYR A 106 7.338 -8.411 8.874 1.00 1.49 C ATOM 1754 CE1 TYR A 106 4.859 -8.408 7.571 1.00 2.11 C ATOM 1755 CE2 TYR A 106 6.717 -9.623 8.545 1.00 2.07 C ATOM 1756 CZ TYR A 106 5.479 -9.622 7.893 1.00 2.13 C ATOM 1757 OH TYR A 106 4.868 -10.817 7.568 1.00 2.75 O ATOM 0 H TYR A 106 10.107 -5.775 8.380 1.00 0.37 H new ATOM 0 HA TYR A 106 7.543 -5.560 6.798 1.00 0.33 H new ATOM 0 HB2 TYR A 106 8.078 -6.033 9.736 1.00 0.35 H new ATOM 0 HB3 TYR A 106 6.641 -5.164 9.234 1.00 0.35 H new ATOM 0 HD1 TYR A 106 5.000 -6.260 7.651 1.00 1.66 H new ATOM 0 HD2 TYR A 106 8.294 -8.413 9.377 1.00 1.49 H new ATOM 0 HE1 TYR A 106 3.903 -8.407 7.069 1.00 2.11 H new ATOM 0 HE2 TYR A 106 7.194 -10.559 8.795 1.00 2.07 H new ATOM 0 HH TYR A 106 5.432 -11.563 7.861 1.00 2.75 H new ATOM 1767 N PHE A 107 7.572 -3.002 7.262 1.00 0.30 N ATOM 1768 CA PHE A 107 7.872 -1.549 7.394 1.00 0.27 C ATOM 1769 C PHE A 107 6.633 -0.709 7.737 1.00 0.27 C ATOM 1770 O PHE A 107 5.539 -0.966 7.274 1.00 0.36 O ATOM 1771 CB PHE A 107 8.493 -1.080 6.076 1.00 0.24 C ATOM 1772 CG PHE A 107 9.980 -1.253 6.195 1.00 0.50 C ATOM 1773 CD1 PHE A 107 10.717 -0.302 6.897 1.00 0.85 C ATOM 1774 CD2 PHE A 107 10.616 -2.362 5.623 1.00 0.76 C ATOM 1775 CE1 PHE A 107 12.102 -0.450 7.032 1.00 1.13 C ATOM 1776 CE2 PHE A 107 12.001 -2.512 5.757 1.00 0.95 C ATOM 1777 CZ PHE A 107 12.745 -1.556 6.461 1.00 1.07 C ATOM 0 H PHE A 107 6.745 -3.244 6.716 1.00 0.30 H new ATOM 0 HA PHE A 107 8.562 -1.409 8.226 1.00 0.27 H new ATOM 0 HB2 PHE A 107 8.104 -1.662 5.240 1.00 0.24 H new ATOM 0 HB3 PHE A 107 8.242 -0.037 5.883 1.00 0.24 H new ATOM 0 HD1 PHE A 107 10.220 0.550 7.337 1.00 0.85 H new ATOM 0 HD2 PHE A 107 10.040 -3.098 5.081 1.00 0.76 H new ATOM 0 HE1 PHE A 107 12.674 0.287 7.576 1.00 1.13 H new ATOM 0 HE2 PHE A 107 12.497 -3.365 5.318 1.00 0.95 H new ATOM 0 HZ PHE A 107 13.814 -1.672 6.563 1.00 1.07 H new ATOM 1787 N ASN A 108 6.824 0.316 8.541 1.00 0.26 N ATOM 1788 CA ASN A 108 5.692 1.216 8.923 1.00 0.25 C ATOM 1789 C ASN A 108 6.142 2.676 8.764 1.00 0.32 C ATOM 1790 O ASN A 108 7.321 2.967 8.702 1.00 0.62 O ATOM 1791 CB ASN A 108 5.294 0.967 10.383 1.00 0.15 C ATOM 1792 CG ASN A 108 4.413 -0.287 10.506 1.00 0.68 C ATOM 1793 OD1 ASN A 108 3.846 -0.809 9.449 1.00 2.68 O flip ATOM 1794 ND2 ASN A 108 4.235 -0.801 11.594 1.00 1.40 N flip ATOM 0 H ASN A 108 7.724 0.566 8.950 1.00 0.26 H new ATOM 0 HA ASN A 108 4.835 1.014 8.280 1.00 0.25 H new ATOM 0 HB2 ASN A 108 6.190 0.848 10.993 1.00 0.15 H new ATOM 0 HB3 ASN A 108 4.757 1.833 10.770 1.00 0.15 H new ATOM 0 HD21 ASN A 108 4.673 -0.402 12.424 1.00 1.40 H new ATOM 0 HD22 ASN A 108 3.648 -1.631 11.676 1.00 1.40 H new ATOM 1801 N GLU A 109 5.213 3.591 8.678 1.00 0.31 N ATOM 1802 CA GLU A 109 5.577 5.031 8.496 1.00 0.35 C ATOM 1803 C GLU A 109 6.050 5.650 9.817 1.00 0.27 C ATOM 1804 O GLU A 109 6.427 6.806 9.866 1.00 0.36 O ATOM 1805 CB GLU A 109 4.351 5.803 7.997 1.00 0.46 C ATOM 1806 CG GLU A 109 4.314 5.771 6.468 1.00 2.26 C ATOM 1807 CD GLU A 109 3.800 4.409 5.998 1.00 4.34 C ATOM 1808 OE1 GLU A 109 3.351 3.647 6.838 1.00 5.25 O ATOM 1809 OE2 GLU A 109 3.864 4.152 4.808 1.00 5.17 O ATOM 0 H GLU A 109 4.211 3.404 8.726 1.00 0.31 H new ATOM 0 HA GLU A 109 6.388 5.092 7.770 1.00 0.35 H new ATOM 0 HB2 GLU A 109 3.441 5.362 8.402 1.00 0.46 H new ATOM 0 HB3 GLU A 109 4.390 6.834 8.349 1.00 0.46 H new ATOM 0 HG2 GLU A 109 3.668 6.565 6.093 1.00 2.26 H new ATOM 0 HG3 GLU A 109 5.310 5.954 6.066 1.00 2.26 H new ATOM 1816 N ARG A 110 6.025 4.909 10.888 1.00 0.14 N ATOM 1817 CA ARG A 110 6.464 5.482 12.195 1.00 0.12 C ATOM 1818 C ARG A 110 7.959 5.224 12.409 1.00 0.11 C ATOM 1819 O ARG A 110 8.452 5.300 13.516 1.00 0.15 O ATOM 1820 CB ARG A 110 5.663 4.841 13.333 1.00 0.12 C ATOM 1821 CG ARG A 110 5.590 5.804 14.522 1.00 0.74 C ATOM 1822 CD ARG A 110 4.394 5.440 15.406 1.00 0.82 C ATOM 1823 NE ARG A 110 4.848 5.269 16.817 1.00 0.83 N ATOM 1824 CZ ARG A 110 5.008 4.071 17.313 1.00 1.22 C ATOM 1825 NH1 ARG A 110 5.949 3.296 16.852 1.00 2.03 N ATOM 1826 NH2 ARG A 110 4.230 3.652 18.274 1.00 1.19 N ATOM 0 H ARG A 110 5.722 3.936 10.918 1.00 0.14 H new ATOM 0 HA ARG A 110 6.288 6.558 12.187 1.00 0.12 H new ATOM 0 HB2 ARG A 110 4.658 4.596 12.990 1.00 0.12 H new ATOM 0 HB3 ARG A 110 6.132 3.906 13.639 1.00 0.12 H new ATOM 0 HG2 ARG A 110 6.512 5.753 15.101 1.00 0.74 H new ATOM 0 HG3 ARG A 110 5.493 6.830 14.167 1.00 0.74 H new ATOM 0 HD2 ARG A 110 3.636 6.221 15.349 1.00 0.82 H new ATOM 0 HD3 ARG A 110 3.931 4.520 15.048 1.00 0.82 H new ATOM 0 HE ARG A 110 5.034 6.089 17.395 1.00 0.83 H new ATOM 0 HH11 ARG A 110 6.560 3.625 16.104 1.00 2.03 H new ATOM 0 HH12 ARG A 110 6.074 2.361 17.239 1.00 2.03 H new ATOM 0 HH21 ARG A 110 3.497 4.260 18.638 1.00 1.19 H new ATOM 0 HH22 ARG A 110 4.356 2.717 18.661 1.00 1.19 H new ATOM 1840 N GLY A 111 8.686 4.908 11.368 1.00 0.13 N ATOM 1841 CA GLY A 111 10.143 4.637 11.546 1.00 0.12 C ATOM 1842 C GLY A 111 10.303 3.335 12.310 1.00 0.11 C ATOM 1843 O GLY A 111 11.279 3.120 13.002 1.00 0.13 O ATOM 0 H GLY A 111 8.338 4.827 10.413 1.00 0.13 H new ATOM 0 HA2 GLY A 111 10.637 4.570 10.577 1.00 0.12 H new ATOM 0 HA3 GLY A 111 10.617 5.455 12.089 1.00 0.12 H new ATOM 1847 N TYR A 112 9.353 2.455 12.182 1.00 0.09 N ATOM 1848 CA TYR A 112 9.456 1.161 12.891 1.00 0.08 C ATOM 1849 C TYR A 112 9.277 0.034 11.888 1.00 0.08 C ATOM 1850 O TYR A 112 8.198 -0.220 11.393 1.00 0.08 O ATOM 1851 CB TYR A 112 8.376 1.065 13.962 1.00 0.13 C ATOM 1852 CG TYR A 112 8.916 0.283 15.132 1.00 0.66 C ATOM 1853 CD1 TYR A 112 9.887 0.852 15.965 1.00 1.16 C ATOM 1854 CD2 TYR A 112 8.458 -1.016 15.378 1.00 0.89 C ATOM 1855 CE1 TYR A 112 10.395 0.124 17.047 1.00 1.66 C ATOM 1856 CE2 TYR A 112 8.968 -1.746 16.458 1.00 1.41 C ATOM 1857 CZ TYR A 112 9.937 -1.175 17.293 1.00 1.74 C ATOM 1858 OH TYR A 112 10.441 -1.897 18.355 1.00 2.29 O ATOM 0 H TYR A 112 8.513 2.579 11.617 1.00 0.09 H new ATOM 0 HA TYR A 112 10.433 1.085 13.367 1.00 0.08 H new ATOM 0 HB2 TYR A 112 8.073 2.062 14.282 1.00 0.13 H new ATOM 0 HB3 TYR A 112 7.489 0.577 13.560 1.00 0.13 H new ATOM 0 HD1 TYR A 112 10.244 1.853 15.773 1.00 1.16 H new ATOM 0 HD2 TYR A 112 7.711 -1.456 14.734 1.00 0.89 H new ATOM 0 HE1 TYR A 112 11.141 0.565 17.692 1.00 1.66 H new ATOM 0 HE2 TYR A 112 8.615 -2.749 16.647 1.00 1.41 H new ATOM 0 HH TYR A 112 10.014 -2.779 18.383 1.00 2.29 H new ATOM 1868 N ALA A 113 10.337 -0.640 11.601 1.00 0.09 N ATOM 1869 CA ALA A 113 10.289 -1.770 10.645 1.00 0.10 C ATOM 1870 C ALA A 113 10.788 -3.003 11.372 1.00 0.12 C ATOM 1871 O ALA A 113 11.725 -2.935 12.140 1.00 0.13 O ATOM 1872 CB ALA A 113 11.178 -1.475 9.443 1.00 0.14 C ATOM 0 H ALA A 113 11.259 -0.455 11.996 1.00 0.09 H new ATOM 0 HA ALA A 113 9.272 -1.924 10.283 1.00 0.10 H new ATOM 0 HB1 ALA A 113 11.136 -2.312 8.746 1.00 0.14 H new ATOM 0 HB2 ALA A 113 10.829 -0.570 8.946 1.00 0.14 H new ATOM 0 HB3 ALA A 113 12.206 -1.332 9.777 1.00 0.14 H new ATOM 1878 N LYS A 114 10.171 -4.122 11.188 1.00 0.14 N ATOM 1879 CA LYS A 114 10.654 -5.306 11.939 1.00 0.19 C ATOM 1880 C LYS A 114 11.529 -6.174 11.037 1.00 0.19 C ATOM 1881 O LYS A 114 11.176 -6.496 9.923 1.00 0.21 O ATOM 1882 CB LYS A 114 9.450 -6.122 12.414 1.00 0.26 C ATOM 1883 CG LYS A 114 8.376 -5.182 12.969 1.00 0.91 C ATOM 1884 CD LYS A 114 7.017 -5.886 12.936 1.00 2.50 C ATOM 1885 CE LYS A 114 6.010 -5.028 12.166 1.00 3.51 C ATOM 1886 NZ LYS A 114 4.931 -4.579 13.091 1.00 3.06 N ATOM 0 H LYS A 114 9.374 -4.273 10.569 1.00 0.14 H new ATOM 0 HA LYS A 114 11.242 -4.976 12.796 1.00 0.19 H new ATOM 0 HB2 LYS A 114 9.045 -6.705 11.587 1.00 0.26 H new ATOM 0 HB3 LYS A 114 9.759 -6.831 13.182 1.00 0.26 H new ATOM 0 HG2 LYS A 114 8.623 -4.893 13.990 1.00 0.91 H new ATOM 0 HG3 LYS A 114 8.338 -4.267 12.379 1.00 0.91 H new ATOM 0 HD2 LYS A 114 7.114 -6.863 12.462 1.00 2.50 H new ATOM 0 HD3 LYS A 114 6.661 -6.058 13.952 1.00 2.50 H new ATOM 0 HE2 LYS A 114 6.511 -4.165 11.728 1.00 3.51 H new ATOM 0 HE3 LYS A 114 5.583 -5.600 11.342 1.00 3.51 H new ATOM 0 HZ1 LYS A 114 4.246 -3.996 12.569 1.00 3.06 H new ATOM 0 HZ2 LYS A 114 4.447 -5.409 13.488 1.00 3.06 H new ATOM 0 HZ3 LYS A 114 5.346 -4.018 13.862 1.00 3.06 H new ATOM 1900 N VAL A 115 12.672 -6.561 11.529 1.00 0.16 N ATOM 1901 CA VAL A 115 13.588 -7.419 10.724 1.00 0.15 C ATOM 1902 C VAL A 115 13.921 -8.688 11.510 1.00 0.23 C ATOM 1903 O VAL A 115 14.056 -8.666 12.715 1.00 0.15 O ATOM 1904 CB VAL A 115 14.881 -6.663 10.429 1.00 0.25 C ATOM 1905 CG1 VAL A 115 16.026 -7.667 10.294 1.00 0.25 C ATOM 1906 CG2 VAL A 115 14.734 -5.880 9.123 1.00 0.61 C ATOM 0 H VAL A 115 13.014 -6.319 12.459 1.00 0.16 H new ATOM 0 HA VAL A 115 13.097 -7.681 9.787 1.00 0.15 H new ATOM 0 HB VAL A 115 15.092 -5.968 11.242 1.00 0.25 H new ATOM 0 HG11 VAL A 115 16.954 -7.135 10.083 1.00 0.25 H new ATOM 0 HG12 VAL A 115 16.132 -8.226 11.224 1.00 0.25 H new ATOM 0 HG13 VAL A 115 15.810 -8.357 9.479 1.00 0.25 H new ATOM 0 HG21 VAL A 115 15.659 -5.342 8.916 1.00 0.61 H new ATOM 0 HG22 VAL A 115 14.525 -6.571 8.306 1.00 0.61 H new ATOM 0 HG23 VAL A 115 13.913 -5.169 9.216 1.00 0.61 H new ATOM 1916 N LEU A 116 14.049 -9.796 10.838 1.00 0.63 N ATOM 1917 CA LEU A 116 14.369 -11.067 11.545 1.00 0.80 C ATOM 1918 C LEU A 116 15.535 -11.770 10.845 1.00 0.78 C ATOM 1919 O LEU A 116 15.568 -11.874 9.635 1.00 0.71 O ATOM 1920 CB LEU A 116 13.141 -11.980 11.521 1.00 0.88 C ATOM 1921 CG LEU A 116 12.476 -11.986 12.901 1.00 0.94 C ATOM 1922 CD1 LEU A 116 10.956 -12.063 12.735 1.00 0.69 C ATOM 1923 CD2 LEU A 116 12.963 -13.200 13.694 1.00 1.69 C ATOM 0 H LEU A 116 13.946 -9.877 9.827 1.00 0.63 H new ATOM 0 HA LEU A 116 14.647 -10.847 12.576 1.00 0.80 H new ATOM 0 HB2 LEU A 116 12.434 -11.635 10.767 1.00 0.88 H new ATOM 0 HB3 LEU A 116 13.434 -12.993 11.243 1.00 0.88 H new ATOM 0 HG LEU A 116 12.737 -11.072 13.435 1.00 0.94 H new ATOM 0 HD11 LEU A 116 10.483 -12.067 13.717 1.00 0.69 H new ATOM 0 HD12 LEU A 116 10.608 -11.200 12.168 1.00 0.69 H new ATOM 0 HD13 LEU A 116 10.694 -12.977 12.202 1.00 0.69 H new ATOM 0 HD21 LEU A 116 12.491 -13.206 14.676 1.00 1.69 H new ATOM 0 HD22 LEU A 116 12.700 -14.113 13.160 1.00 1.69 H new ATOM 0 HD23 LEU A 116 14.045 -13.147 13.812 1.00 1.69 H new ATOM 1935 N LEU A 117 16.479 -12.284 11.588 1.00 0.83 N ATOM 1936 CA LEU A 117 17.615 -13.007 10.942 1.00 0.79 C ATOM 1937 C LEU A 117 17.280 -14.472 10.980 1.00 0.70 C ATOM 1938 O LEU A 117 16.858 -14.993 11.987 1.00 0.80 O ATOM 1939 CB LEU A 117 18.912 -12.840 11.746 1.00 0.84 C ATOM 1940 CG LEU A 117 20.156 -13.060 10.870 1.00 0.82 C ATOM 1941 CD1 LEU A 117 20.274 -14.548 10.507 1.00 0.83 C ATOM 1942 CD2 LEU A 117 20.067 -12.204 9.598 1.00 0.70 C ATOM 0 H LEU A 117 16.514 -12.236 12.606 1.00 0.83 H new ATOM 0 HA LEU A 117 17.757 -12.615 9.935 1.00 0.79 H new ATOM 0 HB2 LEU A 117 18.945 -11.841 12.180 1.00 0.84 H new ATOM 0 HB3 LEU A 117 18.920 -13.548 12.575 1.00 0.84 H new ATOM 0 HG LEU A 117 21.044 -12.759 11.426 1.00 0.82 H new ATOM 0 HD11 LEU A 117 21.156 -14.702 9.886 1.00 0.83 H new ATOM 0 HD12 LEU A 117 20.364 -15.139 11.419 1.00 0.83 H new ATOM 0 HD13 LEU A 117 19.385 -14.860 9.959 1.00 0.83 H new ATOM 0 HD21 LEU A 117 20.954 -12.369 8.986 1.00 0.70 H new ATOM 0 HD22 LEU A 117 19.178 -12.484 9.032 1.00 0.70 H new ATOM 0 HD23 LEU A 117 20.006 -11.151 9.872 1.00 0.70 H new ATOM 1954 N GLY A 118 17.482 -15.161 9.920 1.00 0.50 N ATOM 1955 CA GLY A 118 17.196 -16.590 9.972 1.00 0.38 C ATOM 1956 C GLY A 118 18.488 -17.320 9.688 1.00 0.32 C ATOM 1957 O GLY A 118 18.981 -17.338 8.579 1.00 0.38 O ATOM 0 H GLY A 118 17.828 -14.803 9.030 1.00 0.50 H new ATOM 0 HA2 GLY A 118 16.805 -16.868 10.951 1.00 0.38 H new ATOM 0 HA3 GLY A 118 16.435 -16.856 9.238 1.00 0.38 H new ATOM 1961 N LEU A 119 19.027 -17.943 10.683 1.00 0.24 N ATOM 1962 CA LEU A 119 20.273 -18.700 10.494 1.00 0.26 C ATOM 1963 C LEU A 119 19.846 -20.076 10.082 1.00 0.22 C ATOM 1964 O LEU A 119 19.206 -20.770 10.827 1.00 0.20 O ATOM 1965 CB LEU A 119 21.040 -18.747 11.815 1.00 0.24 C ATOM 1966 CG LEU A 119 21.566 -20.175 12.094 1.00 0.26 C ATOM 1967 CD1 LEU A 119 22.401 -20.686 10.923 1.00 0.31 C ATOM 1968 CD2 LEU A 119 22.437 -20.161 13.353 1.00 0.26 C ATOM 0 H LEU A 119 18.651 -17.959 11.631 1.00 0.24 H new ATOM 0 HA LEU A 119 20.928 -18.249 9.748 1.00 0.26 H new ATOM 0 HB2 LEU A 119 21.875 -18.047 11.781 1.00 0.24 H new ATOM 0 HB3 LEU A 119 20.390 -18.428 12.630 1.00 0.24 H new ATOM 0 HG LEU A 119 20.709 -20.834 12.232 1.00 0.26 H new ATOM 0 HD11 LEU A 119 22.759 -21.692 11.143 1.00 0.31 H new ATOM 0 HD12 LEU A 119 21.788 -20.708 10.022 1.00 0.31 H new ATOM 0 HD13 LEU A 119 23.252 -20.024 10.767 1.00 0.31 H new ATOM 0 HD21 LEU A 119 22.808 -21.167 13.550 1.00 0.26 H new ATOM 0 HD22 LEU A 119 23.280 -19.486 13.205 1.00 0.26 H new ATOM 0 HD23 LEU A 119 21.844 -19.820 14.202 1.00 0.26 H new ATOM 1980 N ALA A 120 20.157 -20.482 8.905 1.00 0.22 N ATOM 1981 CA ALA A 120 19.706 -21.819 8.491 1.00 0.20 C ATOM 1982 C ALA A 120 20.865 -22.774 8.575 1.00 0.30 C ATOM 1983 O ALA A 120 21.945 -22.510 8.084 1.00 0.38 O ATOM 1984 CB ALA A 120 19.179 -21.775 7.065 1.00 0.19 C ATOM 0 H ALA A 120 20.697 -19.957 8.216 1.00 0.22 H new ATOM 0 HA ALA A 120 18.904 -22.152 9.150 1.00 0.20 H new ATOM 0 HB1 ALA A 120 18.848 -22.770 6.769 1.00 0.19 H new ATOM 0 HB2 ALA A 120 18.340 -21.081 7.008 1.00 0.19 H new ATOM 0 HB3 ALA A 120 19.971 -21.442 6.394 1.00 0.19 H new ATOM 1990 N ARG A 121 20.652 -23.894 9.178 1.00 0.33 N ATOM 1991 CA ARG A 121 21.754 -24.864 9.262 1.00 0.44 C ATOM 1992 C ARG A 121 21.565 -25.853 8.113 1.00 0.47 C ATOM 1993 O ARG A 121 20.653 -26.639 8.099 1.00 0.45 O ATOM 1994 CB ARG A 121 21.715 -25.573 10.624 1.00 0.48 C ATOM 1995 CG ARG A 121 20.292 -25.537 11.207 1.00 0.43 C ATOM 1996 CD ARG A 121 20.130 -26.666 12.228 1.00 0.51 C ATOM 1997 NE ARG A 121 18.768 -27.258 12.100 1.00 1.69 N ATOM 1998 CZ ARG A 121 18.057 -27.495 13.167 1.00 2.42 C ATOM 1999 NH1 ARG A 121 17.510 -26.506 13.822 1.00 3.79 N ATOM 2000 NH2 ARG A 121 17.892 -28.722 13.577 1.00 2.38 N ATOM 0 H ARG A 121 19.773 -24.178 9.612 1.00 0.33 H new ATOM 0 HA ARG A 121 22.726 -24.378 9.178 1.00 0.44 H new ATOM 0 HB2 ARG A 121 22.043 -26.606 10.513 1.00 0.48 H new ATOM 0 HB3 ARG A 121 22.409 -25.091 11.312 1.00 0.48 H new ATOM 0 HG2 ARG A 121 20.106 -24.574 11.682 1.00 0.43 H new ATOM 0 HG3 ARG A 121 19.558 -25.646 10.409 1.00 0.43 H new ATOM 0 HD2 ARG A 121 20.888 -27.432 12.063 1.00 0.51 H new ATOM 0 HD3 ARG A 121 20.278 -26.282 13.237 1.00 0.51 H new ATOM 0 HE ARG A 121 18.392 -27.478 11.178 1.00 1.69 H new ATOM 0 HH11 ARG A 121 17.639 -25.547 13.499 1.00 3.79 H new ATOM 0 HH12 ARG A 121 16.954 -26.693 14.657 1.00 3.79 H new ATOM 0 HH21 ARG A 121 18.319 -29.493 13.063 1.00 2.38 H new ATOM 0 HH22 ARG A 121 17.336 -28.911 14.411 1.00 2.38 H new ATOM 2014 N GLY A 122 22.411 -25.815 7.130 1.00 0.53 N ATOM 2015 CA GLY A 122 22.218 -26.747 5.982 1.00 0.56 C ATOM 2016 C GLY A 122 22.106 -28.186 6.494 1.00 0.97 C ATOM 2017 O GLY A 122 21.556 -29.046 5.838 1.00 0.99 O ATOM 0 H GLY A 122 23.216 -25.192 7.066 1.00 0.53 H new ATOM 0 HA2 GLY A 122 21.318 -26.477 5.430 1.00 0.56 H new ATOM 0 HA3 GLY A 122 23.055 -26.662 5.289 1.00 0.56 H new