USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 916 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 12 GLN : amide:sc=-0.000636 K(o=-0.41,f=-3) USER MOD Set 1.2: A 14 HIS : no HE2:sc= -0.413 K(o=-0.41,f=-2.5) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0803) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= -0.0221 (180deg=-0.555) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.26) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.177 (180deg=-0.749) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -23:sc= -1.95 USER MOD Single : A 50 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.025) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 57 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-0.78) USER MOD Single : A 59 GLN : amide:sc= -3.48 K(o=-3.5,f=-12!) USER MOD Single : A 63 ASN : amide:sc= -4.79! C(o=-4.8!,f=-9.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.993 X(o=-0.99,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 71 ASN : amide:sc= -0.0459 K(o=-0.046,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0225 (180deg=-0.246) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= -0.157 (180deg=-0.253) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.666 USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.113 F(o=-0.77,f=-0.11) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0263) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0632 K(o=-0.063,f=-0.88) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 71:sc= 0.439 USER MOD Single : A 98 SER OG : rot -28:sc= 0.0595 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.6!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.25 (180deg=-2.91) USER MOD Single : A 107 CYS SG : rot 30:sc= 0.393 USER MOD Single : A 112 SER OG : rot 180:sc= -0.108 USER MOD Single : A 113 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.36) USER MOD Single : A 115 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 33.272 7.803 18.806 1.00 63.44 N ATOM 2 CA PRO A 2 32.670 6.466 18.776 1.00 45.33 C ATOM 3 C PRO A 2 32.533 5.924 17.357 1.00 23.12 C ATOM 4 O PRO A 2 32.939 6.572 16.393 1.00 53.34 O ATOM 5 CB PRO A 2 31.290 6.685 19.400 1.00 22.23 C ATOM 6 CG PRO A 2 30.984 8.121 19.150 1.00 42.20 C ATOM 7 CD PRO A 2 32.304 8.840 19.198 1.00 10.21 C ATOM 0 HA PRO A 2 33.280 5.732 19.303 1.00 45.33 H new ATOM 0 HB2 PRO A 2 30.542 6.036 18.944 1.00 22.23 H new ATOM 0 HB3 PRO A 2 31.298 6.462 20.467 1.00 22.23 H new ATOM 0 HG2 PRO A 2 30.502 8.254 18.182 1.00 42.20 H new ATOM 0 HG3 PRO A 2 30.299 8.511 19.903 1.00 42.20 H new ATOM 0 HD2 PRO A 2 32.325 9.688 18.514 1.00 10.21 H new ATOM 0 HD3 PRO A 2 32.514 9.229 20.194 1.00 10.21 H new ATOM 15 N SER A 3 31.959 4.731 17.238 1.00 42.05 N ATOM 16 CA SER A 3 31.772 4.100 15.936 1.00 33.04 C ATOM 17 C SER A 3 30.355 3.552 15.798 1.00 73.24 C ATOM 18 O SER A 3 29.586 3.533 16.759 1.00 1.44 O ATOM 19 CB SER A 3 32.788 2.973 15.741 1.00 10.23 C ATOM 20 OG SER A 3 32.340 1.772 16.346 1.00 4.41 O ATOM 0 H SER A 3 31.616 4.182 18.026 1.00 42.05 H new ATOM 0 HA SER A 3 31.928 4.856 15.167 1.00 33.04 H new ATOM 0 HB2 SER A 3 32.953 2.808 14.676 1.00 10.23 H new ATOM 0 HB3 SER A 3 33.746 3.265 16.171 1.00 10.23 H new ATOM 0 HG SER A 3 33.006 1.067 16.206 1.00 4.41 H new ATOM 26 N LYS A 4 30.015 3.106 14.593 1.00 21.40 N ATOM 27 CA LYS A 4 28.692 2.555 14.326 1.00 53.15 C ATOM 28 C LYS A 4 28.794 1.241 13.558 1.00 30.22 C ATOM 29 O LYS A 4 29.888 0.798 13.207 1.00 10.23 O ATOM 30 CB LYS A 4 27.851 3.557 13.531 1.00 11.45 C ATOM 31 CG LYS A 4 27.562 4.843 14.287 1.00 25.02 C ATOM 32 CD LYS A 4 26.151 4.854 14.850 1.00 40.42 C ATOM 33 CE LYS A 4 25.884 6.113 15.661 1.00 44.33 C ATOM 34 NZ LYS A 4 25.584 7.282 14.788 1.00 61.01 N ATOM 0 H LYS A 4 30.638 3.116 13.786 1.00 21.40 H new ATOM 0 HA LYS A 4 28.208 2.360 15.283 1.00 53.15 H new ATOM 0 HB2 LYS A 4 28.370 3.799 12.604 1.00 11.45 H new ATOM 0 HB3 LYS A 4 26.907 3.088 13.255 1.00 11.45 H new ATOM 0 HG2 LYS A 4 28.280 4.958 15.099 1.00 25.02 H new ATOM 0 HG3 LYS A 4 27.696 5.695 13.621 1.00 25.02 H new ATOM 0 HD2 LYS A 4 25.432 4.787 14.034 1.00 40.42 H new ATOM 0 HD3 LYS A 4 26.002 3.976 15.479 1.00 40.42 H new ATOM 0 HE2 LYS A 4 25.046 5.939 16.336 1.00 44.33 H new ATOM 0 HE3 LYS A 4 26.752 6.336 16.281 1.00 44.33 H new ATOM 0 HZ1 LYS A 4 25.408 8.120 15.378 1.00 61.01 H new ATOM 0 HZ2 LYS A 4 26.394 7.464 14.161 1.00 61.01 H new ATOM 0 HZ3 LYS A 4 24.741 7.079 14.214 1.00 61.01 H new ATOM 48 N LYS A 5 27.647 0.621 13.299 1.00 4.43 N ATOM 49 CA LYS A 5 27.607 -0.641 12.571 1.00 73.11 C ATOM 50 C LYS A 5 26.827 -0.493 11.268 1.00 3.32 C ATOM 51 O LYS A 5 25.677 -0.057 11.269 1.00 41.45 O ATOM 52 CB LYS A 5 26.972 -1.732 13.436 1.00 71.41 C ATOM 53 CG LYS A 5 27.827 -2.143 14.622 1.00 45.01 C ATOM 54 CD LYS A 5 27.521 -3.564 15.065 1.00 0.42 C ATOM 55 CE LYS A 5 28.522 -4.052 16.101 1.00 35.25 C ATOM 56 NZ LYS A 5 29.853 -4.334 15.497 1.00 2.52 N ATOM 0 H LYS A 5 26.733 0.973 13.583 1.00 4.43 H new ATOM 0 HA LYS A 5 28.631 -0.926 12.331 1.00 73.11 H new ATOM 0 HB2 LYS A 5 26.007 -1.380 13.800 1.00 71.41 H new ATOM 0 HB3 LYS A 5 26.779 -2.608 12.817 1.00 71.41 H new ATOM 0 HG2 LYS A 5 28.881 -2.063 14.357 1.00 45.01 H new ATOM 0 HG3 LYS A 5 27.654 -1.457 15.451 1.00 45.01 H new ATOM 0 HD2 LYS A 5 26.514 -3.608 15.481 1.00 0.42 H new ATOM 0 HD3 LYS A 5 27.538 -4.228 14.200 1.00 0.42 H new ATOM 0 HE2 LYS A 5 28.630 -3.301 16.883 1.00 35.25 H new ATOM 0 HE3 LYS A 5 28.141 -4.955 16.577 1.00 35.25 H new ATOM 0 HZ1 LYS A 5 30.448 -4.836 16.187 1.00 2.52 H new ATOM 0 HZ2 LYS A 5 29.732 -4.925 14.650 1.00 2.52 H new ATOM 0 HZ3 LYS A 5 30.311 -3.439 15.232 1.00 2.52 H new ATOM 70 N ASN A 6 27.462 -0.860 10.159 1.00 14.14 N ATOM 71 CA ASN A 6 26.827 -0.768 8.850 1.00 74.34 C ATOM 72 C ASN A 6 26.640 -2.153 8.237 1.00 24.23 C ATOM 73 O ASN A 6 27.571 -2.957 8.201 1.00 74.44 O ATOM 74 CB ASN A 6 27.663 0.107 7.914 1.00 22.03 C ATOM 75 CG ASN A 6 26.811 1.059 7.097 1.00 61.41 C ATOM 76 OD1 ASN A 6 26.213 0.669 6.094 1.00 63.42 O ATOM 77 ND2 ASN A 6 26.752 2.315 7.523 1.00 22.24 N ATOM 0 H ASN A 6 28.415 -1.223 10.141 1.00 14.14 H new ATOM 0 HA ASN A 6 25.845 -0.313 8.982 1.00 74.34 H new ATOM 0 HB2 ASN A 6 28.381 0.679 8.501 1.00 22.03 H new ATOM 0 HB3 ASN A 6 28.237 -0.530 7.242 1.00 22.03 H new ATOM 0 HD21 ASN A 6 26.195 3.001 7.014 1.00 22.24 H new ATOM 0 HD22 ASN A 6 27.264 2.594 8.360 1.00 22.24 H new ATOM 84 N GLY A 7 25.431 -2.424 7.756 1.00 34.14 N ATOM 85 CA GLY A 7 25.144 -3.712 7.152 1.00 41.24 C ATOM 86 C GLY A 7 23.726 -3.802 6.625 1.00 74.12 C ATOM 87 O GLY A 7 22.805 -3.220 7.199 1.00 41.24 O ATOM 0 H GLY A 7 24.645 -1.774 7.774 1.00 34.14 H new ATOM 0 HA2 GLY A 7 25.844 -3.891 6.336 1.00 41.24 H new ATOM 0 HA3 GLY A 7 25.305 -4.499 7.888 1.00 41.24 H new ATOM 91 N ARG A 8 23.548 -4.533 5.529 1.00 44.52 N ATOM 92 CA ARG A 8 22.232 -4.694 4.923 1.00 63.40 C ATOM 93 C ARG A 8 22.223 -5.868 3.948 1.00 30.44 C ATOM 94 O ARG A 8 23.268 -6.274 3.439 1.00 52.50 O ATOM 95 CB ARG A 8 21.820 -3.412 4.197 1.00 22.24 C ATOM 96 CG ARG A 8 20.325 -3.142 4.240 1.00 1.10 C ATOM 97 CD ARG A 8 20.030 -1.652 4.314 1.00 42.12 C ATOM 98 NE ARG A 8 20.223 -0.991 3.026 1.00 71.44 N ATOM 99 CZ ARG A 8 20.286 0.327 2.878 1.00 2.21 C ATOM 100 NH1 ARG A 8 20.173 1.122 3.933 1.00 22.13 N ATOM 101 NH2 ARG A 8 20.464 0.853 1.673 1.00 55.41 N ATOM 0 H ARG A 8 24.299 -5.023 5.043 1.00 44.52 H new ATOM 0 HA ARG A 8 21.516 -4.898 5.719 1.00 63.40 H new ATOM 0 HB2 ARG A 8 22.346 -2.567 4.642 1.00 22.24 H new ATOM 0 HB3 ARG A 8 22.140 -3.475 3.157 1.00 22.24 H new ATOM 0 HG2 ARG A 8 19.852 -3.564 3.353 1.00 1.10 H new ATOM 0 HG3 ARG A 8 19.888 -3.644 5.103 1.00 1.10 H new ATOM 0 HD2 ARG A 8 19.003 -1.502 4.648 1.00 42.12 H new ATOM 0 HD3 ARG A 8 20.678 -1.191 5.059 1.00 42.12 H new ATOM 0 HE ARG A 8 20.314 -1.574 2.194 1.00 71.44 H new ATOM 0 HH11 ARG A 8 20.037 0.721 4.861 1.00 22.13 H new ATOM 0 HH12 ARG A 8 20.222 2.134 3.816 1.00 22.13 H new ATOM 0 HH21 ARG A 8 20.553 0.245 0.859 1.00 55.41 H new ATOM 0 HH22 ARG A 8 20.512 1.866 1.561 1.00 55.41 H new ATOM 115 N SER A 9 21.036 -6.411 3.694 1.00 3.34 N ATOM 116 CA SER A 9 20.891 -7.541 2.785 1.00 43.04 C ATOM 117 C SER A 9 20.139 -7.130 1.523 1.00 52.42 C ATOM 118 O SER A 9 19.883 -5.948 1.297 1.00 53.34 O ATOM 119 CB SER A 9 20.157 -8.690 3.478 1.00 21.11 C ATOM 120 OG SER A 9 20.063 -8.466 4.874 1.00 35.22 O ATOM 0 H SER A 9 20.161 -6.086 4.105 1.00 3.34 H new ATOM 0 HA SER A 9 21.888 -7.876 2.500 1.00 43.04 H new ATOM 0 HB2 SER A 9 19.158 -8.795 3.055 1.00 21.11 H new ATOM 0 HB3 SER A 9 20.682 -9.627 3.291 1.00 21.11 H new ATOM 0 HG SER A 9 19.588 -9.213 5.294 1.00 35.22 H new ATOM 126 N GLY A 10 19.787 -8.116 0.703 1.00 50.40 N ATOM 127 CA GLY A 10 19.068 -7.837 -0.526 1.00 75.23 C ATOM 128 C GLY A 10 17.813 -7.019 -0.291 1.00 44.14 C ATOM 129 O GLY A 10 17.742 -5.840 -0.637 1.00 40.53 O ATOM 0 H GLY A 10 19.987 -9.102 0.868 1.00 50.40 H new ATOM 0 HA2 GLY A 10 19.723 -7.302 -1.213 1.00 75.23 H new ATOM 0 HA3 GLY A 10 18.800 -8.777 -1.008 1.00 75.23 H new ATOM 133 N PRO A 11 16.794 -7.651 0.309 1.00 53.31 N ATOM 134 CA PRO A 11 15.517 -6.993 0.602 1.00 40.52 C ATOM 135 C PRO A 11 15.644 -5.945 1.702 1.00 1.33 C ATOM 136 O PRO A 11 16.145 -6.232 2.789 1.00 11.52 O ATOM 137 CB PRO A 11 14.621 -8.145 1.062 1.00 61.22 C ATOM 138 CG PRO A 11 15.564 -9.173 1.584 1.00 4.04 C ATOM 139 CD PRO A 11 16.809 -9.056 0.748 1.00 31.04 C ATOM 0 HA PRO A 11 15.130 -6.453 -0.262 1.00 40.52 H new ATOM 0 HB2 PRO A 11 13.923 -7.820 1.834 1.00 61.22 H new ATOM 0 HB3 PRO A 11 14.025 -8.537 0.238 1.00 61.22 H new ATOM 0 HG2 PRO A 11 15.784 -9.001 2.638 1.00 4.04 H new ATOM 0 HG3 PRO A 11 15.134 -10.172 1.507 1.00 4.04 H new ATOM 0 HD2 PRO A 11 17.704 -9.287 1.326 1.00 31.04 H new ATOM 0 HD3 PRO A 11 16.790 -9.742 -0.099 1.00 31.04 H new ATOM 147 N GLN A 12 15.187 -4.731 1.413 1.00 42.43 N ATOM 148 CA GLN A 12 15.251 -3.641 2.379 1.00 53.51 C ATOM 149 C GLN A 12 13.914 -2.912 2.467 1.00 75.25 C ATOM 150 O GLN A 12 13.095 -2.953 1.548 1.00 63.15 O ATOM 151 CB GLN A 12 16.357 -2.656 1.997 1.00 41.13 C ATOM 152 CG GLN A 12 16.420 -2.359 0.507 1.00 32.41 C ATOM 153 CD GLN A 12 17.226 -1.114 0.193 1.00 34.32 C ATOM 154 OE1 GLN A 12 18.111 -0.726 0.955 1.00 5.32 O ATOM 155 NE2 GLN A 12 16.922 -0.481 -0.934 1.00 2.12 N ATOM 0 H GLN A 12 14.769 -4.478 0.518 1.00 42.43 H new ATOM 0 HA GLN A 12 15.477 -4.069 3.356 1.00 53.51 H new ATOM 0 HB2 GLN A 12 16.204 -1.723 2.539 1.00 41.13 H new ATOM 0 HB3 GLN A 12 17.317 -3.058 2.320 1.00 41.13 H new ATOM 0 HG2 GLN A 12 16.859 -3.212 -0.011 1.00 32.41 H new ATOM 0 HG3 GLN A 12 15.408 -2.238 0.121 1.00 32.41 H new ATOM 0 HE21 GLN A 12 16.180 -0.839 -1.536 1.00 2.12 H new ATOM 0 HE22 GLN A 12 17.430 0.363 -1.198 1.00 2.12 H new ATOM 164 N PRO A 13 13.684 -2.229 3.598 1.00 62.21 N ATOM 165 CA PRO A 13 12.447 -1.479 3.832 1.00 1.54 C ATOM 166 C PRO A 13 12.344 -0.240 2.948 1.00 30.44 C ATOM 167 O PRO A 13 13.353 0.379 2.610 1.00 61.34 O ATOM 168 CB PRO A 13 12.550 -1.077 5.306 1.00 40.52 C ATOM 169 CG PRO A 13 14.012 -1.059 5.592 1.00 11.34 C ATOM 170 CD PRO A 13 14.615 -2.137 4.735 1.00 1.21 C ATOM 0 HA PRO A 13 11.561 -2.070 3.598 1.00 1.54 H new ATOM 0 HB2 PRO A 13 12.100 -0.100 5.482 1.00 40.52 H new ATOM 0 HB3 PRO A 13 12.030 -1.788 5.948 1.00 40.52 H new ATOM 0 HG2 PRO A 13 14.444 -0.086 5.357 1.00 11.34 H new ATOM 0 HG3 PRO A 13 14.205 -1.246 6.648 1.00 11.34 H new ATOM 0 HD2 PRO A 13 15.622 -1.876 4.410 1.00 1.21 H new ATOM 0 HD3 PRO A 13 14.689 -3.083 5.272 1.00 1.21 H new ATOM 178 N HIS A 14 11.118 0.116 2.578 1.00 41.31 N ATOM 179 CA HIS A 14 10.884 1.282 1.734 1.00 55.35 C ATOM 180 C HIS A 14 9.686 2.083 2.234 1.00 14.53 C ATOM 181 O HIS A 14 9.037 1.707 3.211 1.00 64.30 O ATOM 182 CB HIS A 14 10.654 0.851 0.285 1.00 52.13 C ATOM 183 CG HIS A 14 11.851 0.211 -0.347 1.00 25.44 C ATOM 184 ND1 HIS A 14 11.996 -1.155 -0.472 1.00 4.13 N ATOM 185 CD2 HIS A 14 12.963 0.757 -0.892 1.00 24.03 C ATOM 186 CE1 HIS A 14 13.146 -1.421 -1.065 1.00 5.12 C ATOM 187 NE2 HIS A 14 13.752 -0.278 -1.331 1.00 4.35 N ATOM 0 H HIS A 14 10.272 -0.386 2.849 1.00 41.31 H new ATOM 0 HA HIS A 14 11.769 1.917 1.781 1.00 55.35 H new ATOM 0 HB2 HIS A 14 9.818 0.152 0.251 1.00 52.13 H new ATOM 0 HB3 HIS A 14 10.365 1.722 -0.303 1.00 52.13 H new ATOM 0 HD1 HIS A 14 11.321 -1.851 -0.156 1.00 4.13 H new ATOM 0 HD2 HIS A 14 13.188 1.811 -0.968 1.00 24.03 H new ATOM 0 HE1 HIS A 14 13.526 -2.406 -1.293 1.00 5.12 H new ATOM 195 N LYS A 15 9.397 3.191 1.560 1.00 41.24 N ATOM 196 CA LYS A 15 8.277 4.046 1.935 1.00 42.33 C ATOM 197 C LYS A 15 7.097 3.842 0.990 1.00 12.43 C ATOM 198 O LYS A 15 6.193 4.675 0.923 1.00 15.13 O ATOM 199 CB LYS A 15 8.705 5.516 1.924 1.00 72.33 C ATOM 200 CG LYS A 15 9.432 5.928 0.656 1.00 42.03 C ATOM 201 CD LYS A 15 10.883 6.282 0.935 1.00 23.42 C ATOM 202 CE LYS A 15 11.597 6.745 -0.326 1.00 13.44 C ATOM 203 NZ LYS A 15 11.643 5.677 -1.362 1.00 31.33 N ATOM 0 H LYS A 15 9.924 3.518 0.750 1.00 41.24 H new ATOM 0 HA LYS A 15 7.964 3.772 2.943 1.00 42.33 H new ATOM 0 HB2 LYS A 15 7.822 6.144 2.047 1.00 72.33 H new ATOM 0 HB3 LYS A 15 9.352 5.704 2.781 1.00 72.33 H new ATOM 0 HG2 LYS A 15 9.388 5.116 -0.070 1.00 42.03 H new ATOM 0 HG3 LYS A 15 8.927 6.784 0.208 1.00 42.03 H new ATOM 0 HD2 LYS A 15 10.928 7.068 1.689 1.00 23.42 H new ATOM 0 HD3 LYS A 15 11.397 5.414 1.348 1.00 23.42 H new ATOM 0 HE2 LYS A 15 11.089 7.621 -0.730 1.00 13.44 H new ATOM 0 HE3 LYS A 15 12.612 7.052 -0.076 1.00 13.44 H new ATOM 0 HZ1 LYS A 15 12.366 5.913 -2.072 1.00 31.33 H new ATOM 0 HZ2 LYS A 15 11.881 4.769 -0.914 1.00 31.33 H new ATOM 0 HZ3 LYS A 15 10.715 5.602 -1.825 1.00 31.33 H new ATOM 217 N ARG A 16 7.112 2.730 0.264 1.00 75.33 N ATOM 218 CA ARG A 16 6.042 2.417 -0.676 1.00 71.13 C ATOM 219 C ARG A 16 5.686 0.934 -0.621 1.00 12.21 C ATOM 220 O ARG A 16 6.552 0.072 -0.765 1.00 25.00 O ATOM 221 CB ARG A 16 6.456 2.800 -2.098 1.00 54.24 C ATOM 222 CG ARG A 16 7.212 4.116 -2.179 1.00 24.12 C ATOM 223 CD ARG A 16 6.909 4.855 -3.473 1.00 23.31 C ATOM 224 NE ARG A 16 7.197 4.039 -4.649 1.00 64.34 N ATOM 225 CZ ARG A 16 6.819 4.365 -5.880 1.00 65.34 C ATOM 226 NH1 ARG A 16 6.142 5.484 -6.095 1.00 3.21 N ATOM 227 NH2 ARG A 16 7.119 3.570 -6.900 1.00 43.31 N ATOM 0 H ARG A 16 7.853 2.030 0.308 1.00 75.33 H new ATOM 0 HA ARG A 16 5.163 2.995 -0.392 1.00 71.13 H new ATOM 0 HB2 ARG A 16 7.079 2.007 -2.512 1.00 54.24 H new ATOM 0 HB3 ARG A 16 5.565 2.864 -2.722 1.00 54.24 H new ATOM 0 HG2 ARG A 16 6.944 4.744 -1.329 1.00 24.12 H new ATOM 0 HG3 ARG A 16 8.283 3.926 -2.110 1.00 24.12 H new ATOM 0 HD2 ARG A 16 5.860 5.150 -3.485 1.00 23.31 H new ATOM 0 HD3 ARG A 16 7.498 5.771 -3.514 1.00 23.31 H new ATOM 0 HE ARG A 16 7.717 3.171 -4.518 1.00 64.34 H new ATOM 0 HH11 ARG A 16 5.910 6.098 -5.314 1.00 3.21 H new ATOM 0 HH12 ARG A 16 5.853 5.732 -7.041 1.00 3.21 H new ATOM 0 HH21 ARG A 16 7.640 2.708 -6.739 1.00 43.31 H new ATOM 0 HH22 ARG A 16 6.828 3.821 -7.845 1.00 43.31 H new ATOM 241 N TRP A 17 4.407 0.646 -0.411 1.00 15.10 N ATOM 242 CA TRP A 17 3.936 -0.732 -0.336 1.00 21.51 C ATOM 243 C TRP A 17 2.483 -0.837 -0.786 1.00 62.11 C ATOM 244 O TRP A 17 1.648 -0.012 -0.417 1.00 14.14 O ATOM 245 CB TRP A 17 4.081 -1.265 1.090 1.00 34.45 C ATOM 246 CG TRP A 17 5.502 -1.528 1.485 1.00 4.02 C ATOM 247 CD1 TRP A 17 6.336 -0.681 2.158 1.00 31.14 C ATOM 248 CD2 TRP A 17 6.257 -2.717 1.229 1.00 22.41 C ATOM 249 NE1 TRP A 17 7.563 -1.272 2.336 1.00 24.42 N ATOM 250 CE2 TRP A 17 7.541 -2.522 1.776 1.00 74.10 C ATOM 251 CE3 TRP A 17 5.973 -3.929 0.593 1.00 3.21 C ATOM 252 CZ2 TRP A 17 8.536 -3.493 1.704 1.00 72.24 C ATOM 253 CZ3 TRP A 17 6.962 -4.891 0.522 1.00 62.42 C ATOM 254 CH2 TRP A 17 8.230 -4.670 1.075 1.00 4.31 C ATOM 0 H TRP A 17 3.677 1.348 -0.290 1.00 15.10 H new ATOM 0 HA TRP A 17 4.548 -1.335 -1.006 1.00 21.51 H new ATOM 0 HB2 TRP A 17 3.646 -0.547 1.785 1.00 34.45 H new ATOM 0 HB3 TRP A 17 3.508 -2.188 1.185 1.00 34.45 H new ATOM 0 HD1 TRP A 17 6.070 0.308 2.500 1.00 31.14 H new ATOM 0 HE1 TRP A 17 8.362 -0.849 2.809 1.00 24.42 H new ATOM 0 HE3 TRP A 17 4.998 -4.110 0.165 1.00 3.21 H new ATOM 0 HZ2 TRP A 17 9.514 -3.324 2.129 1.00 72.24 H new ATOM 0 HZ3 TRP A 17 6.754 -5.830 0.031 1.00 62.42 H new ATOM 0 HH2 TRP A 17 8.981 -5.443 1.004 1.00 4.31 H new ATOM 265 N VAL A 18 2.188 -1.857 -1.586 1.00 52.21 N ATOM 266 CA VAL A 18 0.835 -2.070 -2.086 1.00 14.44 C ATOM 267 C VAL A 18 0.208 -3.311 -1.462 1.00 34.33 C ATOM 268 O VAL A 18 0.908 -4.173 -0.930 1.00 72.54 O ATOM 269 CB VAL A 18 0.819 -2.215 -3.619 1.00 33.12 C ATOM 270 CG1 VAL A 18 1.439 -0.992 -4.278 1.00 32.51 C ATOM 271 CG2 VAL A 18 1.544 -3.484 -4.041 1.00 1.12 C ATOM 0 H VAL A 18 2.868 -2.549 -1.902 1.00 52.21 H new ATOM 0 HA VAL A 18 0.252 -1.192 -1.806 1.00 14.44 H new ATOM 0 HB VAL A 18 -0.217 -2.289 -3.949 1.00 33.12 H new ATOM 0 HG11 VAL A 18 1.419 -1.113 -5.361 1.00 32.51 H new ATOM 0 HG12 VAL A 18 0.872 -0.103 -4.001 1.00 32.51 H new ATOM 0 HG13 VAL A 18 2.471 -0.883 -3.944 1.00 32.51 H new ATOM 0 HG21 VAL A 18 1.523 -3.571 -5.127 1.00 1.12 H new ATOM 0 HG22 VAL A 18 2.578 -3.443 -3.700 1.00 1.12 H new ATOM 0 HG23 VAL A 18 1.051 -4.349 -3.598 1.00 1.12 H new ATOM 281 N PHE A 19 -1.117 -3.396 -1.530 1.00 62.50 N ATOM 282 CA PHE A 19 -1.840 -4.533 -0.971 1.00 63.13 C ATOM 283 C PHE A 19 -2.904 -5.032 -1.944 1.00 71.21 C ATOM 284 O PHE A 19 -3.522 -4.247 -2.664 1.00 43.21 O ATOM 285 CB PHE A 19 -2.489 -4.147 0.359 1.00 33.42 C ATOM 286 CG PHE A 19 -3.305 -2.888 0.285 1.00 21.33 C ATOM 287 CD1 PHE A 19 -2.696 -1.647 0.367 1.00 4.41 C ATOM 288 CD2 PHE A 19 -4.681 -2.946 0.135 1.00 71.54 C ATOM 289 CE1 PHE A 19 -3.443 -0.486 0.299 1.00 12.00 C ATOM 290 CE2 PHE A 19 -5.434 -1.789 0.066 1.00 63.44 C ATOM 291 CZ PHE A 19 -4.814 -0.558 0.149 1.00 12.31 C ATOM 0 H PHE A 19 -1.712 -2.691 -1.966 1.00 62.50 H new ATOM 0 HA PHE A 19 -1.125 -5.338 -0.798 1.00 63.13 H new ATOM 0 HB2 PHE A 19 -3.127 -4.965 0.694 1.00 33.42 H new ATOM 0 HB3 PHE A 19 -1.710 -4.022 1.111 1.00 33.42 H new ATOM 0 HD1 PHE A 19 -1.624 -1.586 0.486 1.00 4.41 H new ATOM 0 HD2 PHE A 19 -5.171 -3.906 0.071 1.00 71.54 H new ATOM 0 HE1 PHE A 19 -2.955 0.476 0.363 1.00 12.00 H new ATOM 0 HE2 PHE A 19 -6.506 -1.848 -0.053 1.00 63.44 H new ATOM 0 HZ PHE A 19 -5.400 0.347 0.097 1.00 12.31 H new ATOM 301 N THR A 20 -3.113 -6.345 -1.961 1.00 14.04 N ATOM 302 CA THR A 20 -4.101 -6.950 -2.845 1.00 61.41 C ATOM 303 C THR A 20 -4.701 -8.206 -2.222 1.00 44.22 C ATOM 304 O THR A 20 -3.976 -9.098 -1.779 1.00 34.13 O ATOM 305 CB THR A 20 -3.486 -7.312 -4.210 1.00 65.11 C ATOM 306 OG1 THR A 20 -2.307 -8.103 -4.022 1.00 44.20 O ATOM 307 CG2 THR A 20 -3.140 -6.057 -4.998 1.00 33.24 C ATOM 0 H THR A 20 -2.611 -7.010 -1.372 1.00 14.04 H new ATOM 0 HA THR A 20 -4.887 -6.210 -2.993 1.00 61.41 H new ATOM 0 HB THR A 20 -4.222 -7.885 -4.774 1.00 65.11 H new ATOM 0 HG1 THR A 20 -1.923 -8.330 -4.895 1.00 44.20 H new ATOM 0 HG21 THR A 20 -2.707 -6.338 -5.958 1.00 33.24 H new ATOM 0 HG22 THR A 20 -4.044 -5.471 -5.165 1.00 33.24 H new ATOM 0 HG23 THR A 20 -2.421 -5.461 -4.436 1.00 33.24 H new ATOM 315 N LEU A 21 -6.027 -8.270 -2.192 1.00 51.21 N ATOM 316 CA LEU A 21 -6.725 -9.418 -1.624 1.00 11.23 C ATOM 317 C LEU A 21 -7.944 -9.785 -2.464 1.00 64.24 C ATOM 318 O LEU A 21 -8.719 -8.917 -2.864 1.00 23.52 O ATOM 319 CB LEU A 21 -7.154 -9.118 -0.186 1.00 75.04 C ATOM 320 CG LEU A 21 -7.779 -10.282 0.584 1.00 54.31 C ATOM 321 CD1 LEU A 21 -6.725 -11.004 1.408 1.00 10.44 C ATOM 322 CD2 LEU A 21 -8.909 -9.786 1.475 1.00 2.13 C ATOM 0 H LEU A 21 -6.641 -7.540 -2.554 1.00 51.21 H new ATOM 0 HA LEU A 21 -6.039 -10.265 -1.623 1.00 11.23 H new ATOM 0 HB2 LEU A 21 -6.282 -8.769 0.367 1.00 75.04 H new ATOM 0 HB3 LEU A 21 -7.869 -8.296 -0.205 1.00 75.04 H new ATOM 0 HG LEU A 21 -8.194 -10.988 -0.135 1.00 54.31 H new ATOM 0 HD11 LEU A 21 -7.188 -11.829 1.949 1.00 10.44 H new ATOM 0 HD12 LEU A 21 -5.950 -11.393 0.747 1.00 10.44 H new ATOM 0 HD13 LEU A 21 -6.280 -10.308 2.119 1.00 10.44 H new ATOM 0 HD21 LEU A 21 -9.342 -10.628 2.015 1.00 2.13 H new ATOM 0 HD22 LEU A 21 -8.518 -9.060 2.188 1.00 2.13 H new ATOM 0 HD23 LEU A 21 -9.677 -9.315 0.861 1.00 2.13 H new ATOM 334 N ASN A 22 -8.107 -11.078 -2.727 1.00 42.22 N ATOM 335 CA ASN A 22 -9.232 -11.561 -3.519 1.00 54.51 C ATOM 336 C ASN A 22 -10.481 -11.710 -2.655 1.00 41.01 C ATOM 337 O ASN A 22 -10.435 -12.301 -1.577 1.00 60.03 O ATOM 338 CB ASN A 22 -8.886 -12.901 -4.171 1.00 54.43 C ATOM 339 CG ASN A 22 -9.487 -13.042 -5.556 1.00 54.35 C ATOM 340 OD1 ASN A 22 -10.807 -12.920 -5.644 1.00 75.10 O flip ATOM 341 ND2 ASN A 22 -8.773 -13.257 -6.536 1.00 21.21 N flip ATOM 0 H ASN A 22 -7.474 -11.810 -2.403 1.00 42.22 H new ATOM 0 HA ASN A 22 -9.437 -10.828 -4.299 1.00 54.51 H new ATOM 0 HB2 ASN A 22 -7.803 -13.001 -4.236 1.00 54.43 H new ATOM 0 HB3 ASN A 22 -9.244 -13.713 -3.538 1.00 54.43 H new ATOM 0 HD21 ASN A 22 -7.763 -13.344 -6.422 1.00 21.21 H new ATOM 0 HD22 ASN A 22 -9.192 -13.348 -7.462 1.00 21.21 H new ATOM 348 N ASN A 23 -11.596 -11.170 -3.137 1.00 64.24 N ATOM 349 CA ASN A 23 -12.857 -11.243 -2.409 1.00 73.35 C ATOM 350 C ASN A 23 -12.682 -10.773 -0.969 1.00 31.34 C ATOM 351 O ASN A 23 -12.811 -11.545 -0.018 1.00 3.22 O ATOM 352 CB ASN A 23 -13.399 -12.674 -2.429 1.00 21.23 C ATOM 353 CG ASN A 23 -14.698 -12.811 -1.658 1.00 24.23 C ATOM 354 OD1 ASN A 23 -14.875 -13.749 -0.880 1.00 43.10 O ATOM 355 ND2 ASN A 23 -15.614 -11.874 -1.871 1.00 43.20 N ATOM 0 H ASN A 23 -11.651 -10.677 -4.028 1.00 64.24 H new ATOM 0 HA ASN A 23 -13.572 -10.584 -2.902 1.00 73.35 H new ATOM 0 HB2 ASN A 23 -13.558 -12.985 -3.462 1.00 21.23 H new ATOM 0 HB3 ASN A 23 -12.655 -13.348 -2.004 1.00 21.23 H new ATOM 0 HD21 ASN A 23 -16.508 -11.914 -1.381 1.00 43.20 H new ATOM 0 HD22 ASN A 23 -15.424 -11.115 -2.525 1.00 43.20 H new ATOM 362 N PRO A 24 -12.382 -9.477 -0.802 1.00 1.24 N ATOM 363 CA PRO A 24 -12.184 -8.874 0.520 1.00 43.01 C ATOM 364 C PRO A 24 -13.482 -8.777 1.313 1.00 13.52 C ATOM 365 O PRO A 24 -14.556 -8.587 0.743 1.00 55.51 O ATOM 366 CB PRO A 24 -11.649 -7.477 0.196 1.00 41.21 C ATOM 367 CG PRO A 24 -12.166 -7.180 -1.169 1.00 75.33 C ATOM 368 CD PRO A 24 -12.213 -8.499 -1.890 1.00 34.21 C ATOM 0 HA PRO A 24 -11.515 -9.468 1.143 1.00 43.01 H new ATOM 0 HB2 PRO A 24 -11.999 -6.741 0.920 1.00 41.21 H new ATOM 0 HB3 PRO A 24 -10.559 -7.455 0.220 1.00 41.21 H new ATOM 0 HG2 PRO A 24 -13.156 -6.726 -1.121 1.00 75.33 H new ATOM 0 HG3 PRO A 24 -11.516 -6.475 -1.687 1.00 75.33 H new ATOM 0 HD2 PRO A 24 -13.040 -8.540 -2.599 1.00 34.21 H new ATOM 0 HD3 PRO A 24 -11.299 -8.681 -2.455 1.00 34.21 H new ATOM 376 N SER A 25 -13.376 -8.907 2.632 1.00 72.43 N ATOM 377 CA SER A 25 -14.543 -8.837 3.503 1.00 33.32 C ATOM 378 C SER A 25 -14.785 -7.406 3.973 1.00 31.13 C ATOM 379 O SER A 25 -13.874 -6.579 3.972 1.00 62.33 O ATOM 380 CB SER A 25 -14.360 -9.759 4.711 1.00 55.33 C ATOM 381 OG SER A 25 -15.208 -10.891 4.621 1.00 63.10 O ATOM 0 H SER A 25 -12.494 -9.061 3.120 1.00 72.43 H new ATOM 0 HA SER A 25 -15.412 -9.165 2.933 1.00 33.32 H new ATOM 0 HB2 SER A 25 -13.321 -10.083 4.771 1.00 55.33 H new ATOM 0 HB3 SER A 25 -14.577 -9.210 5.628 1.00 55.33 H new ATOM 0 HG SER A 25 -15.071 -11.465 5.403 1.00 63.10 H new ATOM 387 N GLU A 26 -16.020 -7.122 4.375 1.00 72.42 N ATOM 388 CA GLU A 26 -16.382 -5.791 4.847 1.00 75.22 C ATOM 389 C GLU A 26 -15.561 -5.407 6.074 1.00 44.53 C ATOM 390 O GLU A 26 -15.270 -4.231 6.296 1.00 15.11 O ATOM 391 CB GLU A 26 -17.875 -5.733 5.180 1.00 3.51 C ATOM 392 CG GLU A 26 -18.693 -4.944 4.171 1.00 31.43 C ATOM 393 CD GLU A 26 -20.173 -4.933 4.502 1.00 60.21 C ATOM 394 OE1 GLU A 26 -20.538 -5.388 5.606 1.00 73.42 O ATOM 395 OE2 GLU A 26 -20.966 -4.469 3.656 1.00 43.40 O ATOM 0 H GLU A 26 -16.786 -7.796 4.383 1.00 72.42 H new ATOM 0 HA GLU A 26 -16.166 -5.079 4.050 1.00 75.22 H new ATOM 0 HB2 GLU A 26 -18.266 -6.749 5.237 1.00 3.51 H new ATOM 0 HB3 GLU A 26 -18.002 -5.287 6.166 1.00 3.51 H new ATOM 0 HG2 GLU A 26 -18.325 -3.919 4.133 1.00 31.43 H new ATOM 0 HG3 GLU A 26 -18.549 -5.371 3.179 1.00 31.43 H new ATOM 402 N ASP A 27 -15.189 -6.406 6.867 1.00 54.45 N ATOM 403 CA ASP A 27 -14.401 -6.173 8.071 1.00 64.41 C ATOM 404 C ASP A 27 -12.963 -5.807 7.717 1.00 41.34 C ATOM 405 O ASP A 27 -12.396 -4.868 8.276 1.00 75.25 O ATOM 406 CB ASP A 27 -14.418 -7.414 8.965 1.00 71.31 C ATOM 407 CG ASP A 27 -15.068 -7.150 10.309 1.00 24.41 C ATOM 408 OD1 ASP A 27 -16.265 -6.795 10.330 1.00 21.24 O ATOM 409 OD2 ASP A 27 -14.379 -7.300 11.340 1.00 41.22 O ATOM 0 H ASP A 27 -15.421 -7.385 6.697 1.00 54.45 H new ATOM 0 HA ASP A 27 -14.847 -5.338 8.612 1.00 64.41 H new ATOM 0 HB2 ASP A 27 -14.953 -8.217 8.457 1.00 71.31 H new ATOM 0 HB3 ASP A 27 -13.396 -7.760 9.121 1.00 71.31 H new ATOM 414 N GLU A 28 -12.379 -6.555 6.785 1.00 0.45 N ATOM 415 CA GLU A 28 -11.006 -6.309 6.359 1.00 55.52 C ATOM 416 C GLU A 28 -10.910 -5.013 5.558 1.00 63.21 C ATOM 417 O GLU A 28 -10.032 -4.185 5.800 1.00 24.25 O ATOM 418 CB GLU A 28 -10.492 -7.480 5.519 1.00 11.23 C ATOM 419 CG GLU A 28 -9.177 -8.055 6.018 1.00 32.12 C ATOM 420 CD GLU A 28 -9.304 -8.702 7.384 1.00 74.55 C ATOM 421 OE1 GLU A 28 -10.388 -9.245 7.685 1.00 61.11 O ATOM 422 OE2 GLU A 28 -8.319 -8.666 8.151 1.00 74.55 O ATOM 0 H GLU A 28 -12.835 -7.335 6.311 1.00 0.45 H new ATOM 0 HA GLU A 28 -10.387 -6.212 7.251 1.00 55.52 H new ATOM 0 HB2 GLU A 28 -11.244 -8.269 5.511 1.00 11.23 H new ATOM 0 HB3 GLU A 28 -10.366 -7.149 4.488 1.00 11.23 H new ATOM 0 HG2 GLU A 28 -8.813 -8.793 5.303 1.00 32.12 H new ATOM 0 HG3 GLU A 28 -8.432 -7.261 6.064 1.00 32.12 H new ATOM 429 N ARG A 29 -11.818 -4.846 4.602 1.00 30.13 N ATOM 430 CA ARG A 29 -11.835 -3.653 3.764 1.00 24.31 C ATOM 431 C ARG A 29 -12.048 -2.399 4.607 1.00 72.41 C ATOM 432 O ARG A 29 -11.548 -1.324 4.277 1.00 14.42 O ATOM 433 CB ARG A 29 -12.934 -3.763 2.706 1.00 41.11 C ATOM 434 CG ARG A 29 -14.266 -3.182 3.150 1.00 55.14 C ATOM 435 CD ARG A 29 -15.377 -3.522 2.168 1.00 30.21 C ATOM 436 NE ARG A 29 -15.128 -2.960 0.843 1.00 12.35 N ATOM 437 CZ ARG A 29 -15.410 -1.704 0.514 1.00 65.15 C ATOM 438 NH1 ARG A 29 -15.946 -0.885 1.407 1.00 1.42 N ATOM 439 NH2 ARG A 29 -15.154 -1.266 -0.713 1.00 2.25 N ATOM 0 H ARG A 29 -12.552 -5.522 4.388 1.00 30.13 H new ATOM 0 HA ARG A 29 -10.868 -3.575 3.267 1.00 24.31 H new ATOM 0 HB2 ARG A 29 -12.608 -3.251 1.801 1.00 41.11 H new ATOM 0 HB3 ARG A 29 -13.073 -4.812 2.446 1.00 41.11 H new ATOM 0 HG2 ARG A 29 -14.521 -3.567 4.137 1.00 55.14 H new ATOM 0 HG3 ARG A 29 -14.179 -2.099 3.243 1.00 55.14 H new ATOM 0 HD2 ARG A 29 -15.473 -4.605 2.090 1.00 30.21 H new ATOM 0 HD3 ARG A 29 -16.326 -3.145 2.549 1.00 30.21 H new ATOM 0 HE ARG A 29 -14.716 -3.564 0.132 1.00 12.35 H new ATOM 0 HH11 ARG A 29 -16.143 -1.218 2.351 1.00 1.42 H new ATOM 0 HH12 ARG A 29 -16.161 0.079 1.151 1.00 1.42 H new ATOM 0 HH21 ARG A 29 -14.741 -1.894 -1.403 1.00 2.25 H new ATOM 0 HH22 ARG A 29 -15.370 -0.302 -0.966 1.00 2.25 H new ATOM 453 N LYS A 30 -12.795 -2.545 5.696 1.00 24.45 N ATOM 454 CA LYS A 30 -13.075 -1.426 6.588 1.00 22.21 C ATOM 455 C LYS A 30 -11.827 -1.026 7.368 1.00 65.10 C ATOM 456 O LYS A 30 -11.579 0.158 7.600 1.00 74.51 O ATOM 457 CB LYS A 30 -14.201 -1.790 7.559 1.00 63.23 C ATOM 458 CG LYS A 30 -14.489 -0.711 8.588 1.00 25.44 C ATOM 459 CD LYS A 30 -15.798 -0.969 9.315 1.00 23.42 C ATOM 460 CE LYS A 30 -16.985 -0.425 8.536 1.00 43.24 C ATOM 461 NZ LYS A 30 -17.574 0.777 9.189 1.00 23.44 N ATOM 0 H LYS A 30 -13.218 -3.428 5.982 1.00 24.45 H new ATOM 0 HA LYS A 30 -13.388 -0.578 5.979 1.00 22.21 H new ATOM 0 HB2 LYS A 30 -15.109 -1.990 6.990 1.00 63.23 H new ATOM 0 HB3 LYS A 30 -13.939 -2.713 8.076 1.00 63.23 H new ATOM 0 HG2 LYS A 30 -13.673 -0.668 9.310 1.00 25.44 H new ATOM 0 HG3 LYS A 30 -14.530 0.261 8.096 1.00 25.44 H new ATOM 0 HD2 LYS A 30 -15.924 -2.040 9.471 1.00 23.42 H new ATOM 0 HD3 LYS A 30 -15.765 -0.505 10.301 1.00 23.42 H new ATOM 0 HE2 LYS A 30 -16.669 -0.170 7.524 1.00 43.24 H new ATOM 0 HE3 LYS A 30 -17.747 -1.200 8.447 1.00 43.24 H new ATOM 0 HZ1 LYS A 30 -18.380 1.117 8.627 1.00 23.44 H new ATOM 0 HZ2 LYS A 30 -17.899 0.529 10.145 1.00 23.44 H new ATOM 0 HZ3 LYS A 30 -16.855 1.526 9.251 1.00 23.44 H new ATOM 475 N LYS A 31 -11.041 -2.020 7.769 1.00 34.05 N ATOM 476 CA LYS A 31 -9.817 -1.773 8.521 1.00 43.51 C ATOM 477 C LYS A 31 -8.829 -0.953 7.697 1.00 62.13 C ATOM 478 O LYS A 31 -8.329 0.076 8.153 1.00 31.30 O ATOM 479 CB LYS A 31 -9.174 -3.097 8.938 1.00 4.03 C ATOM 480 CG LYS A 31 -7.782 -2.939 9.526 1.00 42.14 C ATOM 481 CD LYS A 31 -6.725 -3.568 8.633 1.00 11.00 C ATOM 482 CE LYS A 31 -6.207 -4.873 9.217 1.00 32.33 C ATOM 483 NZ LYS A 31 -5.598 -4.676 10.562 1.00 75.20 N ATOM 0 H LYS A 31 -11.231 -3.005 7.585 1.00 34.05 H new ATOM 0 HA LYS A 31 -10.077 -1.206 9.415 1.00 43.51 H new ATOM 0 HB2 LYS A 31 -9.815 -3.588 9.670 1.00 4.03 H new ATOM 0 HB3 LYS A 31 -9.120 -3.754 8.070 1.00 4.03 H new ATOM 0 HG2 LYS A 31 -7.562 -1.880 9.662 1.00 42.14 H new ATOM 0 HG3 LYS A 31 -7.748 -3.401 10.513 1.00 42.14 H new ATOM 0 HD2 LYS A 31 -7.145 -3.752 7.644 1.00 11.00 H new ATOM 0 HD3 LYS A 31 -5.896 -2.872 8.503 1.00 11.00 H new ATOM 0 HE2 LYS A 31 -7.026 -5.588 9.291 1.00 32.33 H new ATOM 0 HE3 LYS A 31 -5.467 -5.304 8.543 1.00 32.33 H new ATOM 0 HZ1 LYS A 31 -4.825 -5.359 10.696 1.00 75.20 H new ATOM 0 HZ2 LYS A 31 -5.222 -3.709 10.635 1.00 75.20 H new ATOM 0 HZ3 LYS A 31 -6.321 -4.823 11.295 1.00 75.20 H new ATOM 497 N ILE A 32 -8.553 -1.415 6.482 1.00 51.33 N ATOM 498 CA ILE A 32 -7.627 -0.722 5.594 1.00 73.41 C ATOM 499 C ILE A 32 -8.139 0.671 5.245 1.00 43.04 C ATOM 500 O ILE A 32 -7.374 1.635 5.218 1.00 41.45 O ATOM 501 CB ILE A 32 -7.397 -1.514 4.293 1.00 41.42 C ATOM 502 CG1 ILE A 32 -6.427 -2.671 4.539 1.00 34.41 C ATOM 503 CG2 ILE A 32 -6.868 -0.595 3.201 1.00 24.53 C ATOM 504 CD1 ILE A 32 -6.259 -3.583 3.344 1.00 34.51 C ATOM 0 H ILE A 32 -8.957 -2.266 6.090 1.00 51.33 H new ATOM 0 HA ILE A 32 -6.681 -0.635 6.129 1.00 73.41 H new ATOM 0 HB ILE A 32 -8.350 -1.928 3.963 1.00 41.42 H new ATOM 0 HG12 ILE A 32 -5.454 -2.266 4.816 1.00 34.41 H new ATOM 0 HG13 ILE A 32 -6.781 -3.258 5.387 1.00 34.41 H new ATOM 0 HG21 ILE A 32 -6.710 -1.169 2.288 1.00 24.53 H new ATOM 0 HG22 ILE A 32 -7.591 0.198 3.011 1.00 24.53 H new ATOM 0 HG23 ILE A 32 -5.923 -0.156 3.521 1.00 24.53 H new ATOM 0 HD11 ILE A 32 -5.558 -4.380 3.590 1.00 34.51 H new ATOM 0 HD12 ILE A 32 -7.223 -4.017 3.079 1.00 34.51 H new ATOM 0 HD13 ILE A 32 -5.875 -3.010 2.500 1.00 34.51 H new ATOM 516 N ARG A 33 -9.437 0.769 4.979 1.00 13.54 N ATOM 517 CA ARG A 33 -10.052 2.045 4.632 1.00 4.34 C ATOM 518 C ARG A 33 -10.129 2.961 5.851 1.00 71.32 C ATOM 519 O ARG A 33 -10.242 4.179 5.718 1.00 43.42 O ATOM 520 CB ARG A 33 -11.452 1.822 4.059 1.00 32.00 C ATOM 521 CG ARG A 33 -12.233 3.108 3.840 1.00 63.32 C ATOM 522 CD ARG A 33 -13.654 2.825 3.380 1.00 73.22 C ATOM 523 NE ARG A 33 -14.645 3.279 4.352 1.00 22.33 N ATOM 524 CZ ARG A 33 -14.909 4.559 4.589 1.00 34.31 C ATOM 525 NH1 ARG A 33 -14.261 5.507 3.927 1.00 62.42 N ATOM 526 NH2 ARG A 33 -15.825 4.893 5.490 1.00 61.44 N ATOM 0 H ARG A 33 -10.084 -0.020 4.997 1.00 13.54 H new ATOM 0 HA ARG A 33 -9.430 2.526 3.876 1.00 4.34 H new ATOM 0 HB2 ARG A 33 -11.367 1.293 3.110 1.00 32.00 H new ATOM 0 HB3 ARG A 33 -12.013 1.177 4.735 1.00 32.00 H new ATOM 0 HG2 ARG A 33 -12.257 3.683 4.766 1.00 63.32 H new ATOM 0 HG3 ARG A 33 -11.724 3.722 3.097 1.00 63.32 H new ATOM 0 HD2 ARG A 33 -13.831 3.319 2.425 1.00 73.22 H new ATOM 0 HD3 ARG A 33 -13.774 1.755 3.213 1.00 73.22 H new ATOM 0 HE ARG A 33 -15.163 2.575 4.878 1.00 22.33 H new ATOM 0 HH11 ARG A 33 -13.557 5.255 3.233 1.00 62.42 H new ATOM 0 HH12 ARG A 33 -14.466 6.489 4.111 1.00 62.42 H new ATOM 0 HH21 ARG A 33 -16.327 4.166 6.001 1.00 61.44 H new ATOM 0 HH22 ARG A 33 -16.027 5.876 5.671 1.00 61.44 H new ATOM 540 N ASP A 34 -10.069 2.365 7.037 1.00 64.25 N ATOM 541 CA ASP A 34 -10.131 3.126 8.279 1.00 53.12 C ATOM 542 C ASP A 34 -8.734 3.353 8.848 1.00 13.20 C ATOM 543 O ASP A 34 -8.581 3.825 9.976 1.00 62.24 O ATOM 544 CB ASP A 34 -11.001 2.398 9.305 1.00 53.14 C ATOM 545 CG ASP A 34 -11.329 3.264 10.505 1.00 41.41 C ATOM 546 OD1 ASP A 34 -11.968 4.321 10.318 1.00 43.24 O ATOM 547 OD2 ASP A 34 -10.947 2.885 11.632 1.00 51.24 O ATOM 0 H ASP A 34 -9.977 1.357 7.164 1.00 64.25 H new ATOM 0 HA ASP A 34 -10.576 4.096 8.060 1.00 53.12 H new ATOM 0 HB2 ASP A 34 -11.927 2.077 8.829 1.00 53.14 H new ATOM 0 HB3 ASP A 34 -10.486 1.498 9.640 1.00 53.14 H new ATOM 552 N LEU A 35 -7.719 3.014 8.062 1.00 4.10 N ATOM 553 CA LEU A 35 -6.333 3.180 8.488 1.00 71.12 C ATOM 554 C LEU A 35 -6.001 4.654 8.700 1.00 34.51 C ATOM 555 O LEU A 35 -6.680 5.547 8.194 1.00 50.25 O ATOM 556 CB LEU A 35 -5.384 2.576 7.451 1.00 55.12 C ATOM 557 CG LEU A 35 -5.142 1.070 7.559 1.00 54.21 C ATOM 558 CD1 LEU A 35 -4.385 0.562 6.342 1.00 53.44 C ATOM 559 CD2 LEU A 35 -4.383 0.742 8.836 1.00 13.44 C ATOM 0 H LEU A 35 -7.829 2.623 7.126 1.00 4.10 H new ATOM 0 HA LEU A 35 -6.205 2.658 9.436 1.00 71.12 H new ATOM 0 HB2 LEU A 35 -5.779 2.790 6.458 1.00 55.12 H new ATOM 0 HB3 LEU A 35 -4.423 3.085 7.528 1.00 55.12 H new ATOM 0 HG LEU A 35 -6.109 0.568 7.595 1.00 54.21 H new ATOM 0 HD11 LEU A 35 -4.222 -0.512 6.437 1.00 53.44 H new ATOM 0 HD12 LEU A 35 -4.966 0.763 5.442 1.00 53.44 H new ATOM 0 HD13 LEU A 35 -3.423 1.070 6.274 1.00 53.44 H new ATOM 0 HD21 LEU A 35 -4.220 -0.334 8.896 1.00 13.44 H new ATOM 0 HD22 LEU A 35 -3.421 1.255 8.830 1.00 13.44 H new ATOM 0 HD23 LEU A 35 -4.963 1.070 9.699 1.00 13.44 H new ATOM 571 N PRO A 36 -4.931 4.915 9.465 1.00 14.24 N ATOM 572 CA PRO A 36 -4.483 6.279 9.760 1.00 53.51 C ATOM 573 C PRO A 36 -3.900 6.975 8.535 1.00 43.12 C ATOM 574 O PRO A 36 -2.917 6.512 7.956 1.00 63.51 O ATOM 575 CB PRO A 36 -3.403 6.076 10.825 1.00 63.13 C ATOM 576 CG PRO A 36 -2.898 4.694 10.592 1.00 24.23 C ATOM 577 CD PRO A 36 -4.076 3.899 10.102 1.00 51.24 C ATOM 0 HA PRO A 36 -5.305 6.917 10.084 1.00 53.51 H new ATOM 0 HB2 PRO A 36 -2.605 6.812 10.725 1.00 63.13 H new ATOM 0 HB3 PRO A 36 -3.812 6.184 11.830 1.00 63.13 H new ATOM 0 HG2 PRO A 36 -2.093 4.692 9.857 1.00 24.23 H new ATOM 0 HG3 PRO A 36 -2.493 4.267 11.509 1.00 24.23 H new ATOM 0 HD2 PRO A 36 -3.774 3.127 9.394 1.00 51.24 H new ATOM 0 HD3 PRO A 36 -4.591 3.397 10.921 1.00 51.24 H new ATOM 585 N ILE A 37 -4.510 8.089 8.146 1.00 55.13 N ATOM 586 CA ILE A 37 -4.050 8.849 6.990 1.00 24.33 C ATOM 587 C ILE A 37 -2.721 9.539 7.280 1.00 20.34 C ATOM 588 O ILE A 37 -1.882 9.691 6.393 1.00 51.24 O ATOM 589 CB ILE A 37 -5.083 9.908 6.564 1.00 11.23 C ATOM 590 CG1 ILE A 37 -5.507 10.752 7.768 1.00 4.03 C ATOM 591 CG2 ILE A 37 -6.293 9.242 5.926 1.00 24.40 C ATOM 592 CD1 ILE A 37 -6.401 11.917 7.405 1.00 32.43 C ATOM 0 H ILE A 37 -5.325 8.486 8.614 1.00 55.13 H new ATOM 0 HA ILE A 37 -3.917 8.136 6.176 1.00 24.33 H new ATOM 0 HB ILE A 37 -4.623 10.566 5.826 1.00 11.23 H new ATOM 0 HG12 ILE A 37 -6.027 10.115 8.483 1.00 4.03 H new ATOM 0 HG13 ILE A 37 -4.616 11.131 8.268 1.00 4.03 H new ATOM 0 HG21 ILE A 37 -7.014 10.004 5.630 1.00 24.40 H new ATOM 0 HG22 ILE A 37 -5.978 8.680 5.047 1.00 24.40 H new ATOM 0 HG23 ILE A 37 -6.755 8.564 6.643 1.00 24.40 H new ATOM 0 HD11 ILE A 37 -6.662 12.470 8.307 1.00 32.43 H new ATOM 0 HD12 ILE A 37 -5.876 12.577 6.714 1.00 32.43 H new ATOM 0 HD13 ILE A 37 -7.310 11.545 6.932 1.00 32.43 H new ATOM 604 N SER A 38 -2.536 9.953 8.530 1.00 62.51 N ATOM 605 CA SER A 38 -1.310 10.628 8.937 1.00 4.35 C ATOM 606 C SER A 38 -0.125 9.667 8.912 1.00 72.11 C ATOM 607 O SER A 38 1.032 10.089 8.909 1.00 61.34 O ATOM 608 CB SER A 38 -1.470 11.220 10.339 1.00 52.51 C ATOM 609 OG SER A 38 -0.992 10.326 11.328 1.00 5.14 O ATOM 0 H SER A 38 -3.220 9.833 9.277 1.00 62.51 H new ATOM 0 HA SER A 38 -1.117 11.434 8.229 1.00 4.35 H new ATOM 0 HB2 SER A 38 -0.926 12.163 10.403 1.00 52.51 H new ATOM 0 HB3 SER A 38 -2.520 11.445 10.525 1.00 52.51 H new ATOM 0 HG SER A 38 -1.104 10.729 12.214 1.00 5.14 H new ATOM 615 N LEU A 39 -0.423 8.372 8.894 1.00 2.31 N ATOM 616 CA LEU A 39 0.616 7.349 8.869 1.00 64.31 C ATOM 617 C LEU A 39 1.208 7.208 7.470 1.00 31.30 C ATOM 618 O LEU A 39 2.369 6.829 7.311 1.00 54.24 O ATOM 619 CB LEU A 39 0.049 6.006 9.333 1.00 53.23 C ATOM 620 CG LEU A 39 0.984 5.136 10.172 1.00 24.15 C ATOM 621 CD1 LEU A 39 0.209 4.422 11.269 1.00 10.40 C ATOM 622 CD2 LEU A 39 1.712 4.131 9.291 1.00 4.33 C ATOM 0 H LEU A 39 -1.375 8.006 8.896 1.00 2.31 H new ATOM 0 HA LEU A 39 1.410 7.656 9.550 1.00 64.31 H new ATOM 0 HB2 LEU A 39 -0.854 6.197 9.912 1.00 53.23 H new ATOM 0 HB3 LEU A 39 -0.251 5.438 8.453 1.00 53.23 H new ATOM 0 HG LEU A 39 1.726 5.782 10.641 1.00 24.15 H new ATOM 0 HD11 LEU A 39 0.892 3.807 11.856 1.00 10.40 H new ATOM 0 HD12 LEU A 39 -0.265 5.158 11.918 1.00 10.40 H new ATOM 0 HD13 LEU A 39 -0.556 3.788 10.821 1.00 10.40 H new ATOM 0 HD21 LEU A 39 2.373 3.520 9.906 1.00 4.33 H new ATOM 0 HD22 LEU A 39 0.985 3.490 8.793 1.00 4.33 H new ATOM 0 HD23 LEU A 39 2.300 4.662 8.543 1.00 4.33 H new ATOM 634 N PHE A 40 0.403 7.516 6.459 1.00 53.51 N ATOM 635 CA PHE A 40 0.847 7.425 5.073 1.00 53.42 C ATOM 636 C PHE A 40 0.619 8.745 4.341 1.00 72.20 C ATOM 637 O PHE A 40 -0.519 9.184 4.170 1.00 64.33 O ATOM 638 CB PHE A 40 0.109 6.295 4.352 1.00 52.30 C ATOM 639 CG PHE A 40 -0.091 5.073 5.201 1.00 20.40 C ATOM 640 CD1 PHE A 40 -1.207 4.952 6.013 1.00 20.14 C ATOM 641 CD2 PHE A 40 0.837 4.044 5.186 1.00 33.44 C ATOM 642 CE1 PHE A 40 -1.393 3.828 6.796 1.00 3.22 C ATOM 643 CE2 PHE A 40 0.656 2.917 5.967 1.00 41.12 C ATOM 644 CZ PHE A 40 -0.461 2.809 6.772 1.00 42.00 C ATOM 0 H PHE A 40 -0.560 7.831 6.573 1.00 53.51 H new ATOM 0 HA PHE A 40 1.916 7.210 5.073 1.00 53.42 H new ATOM 0 HB2 PHE A 40 -0.863 6.660 4.020 1.00 52.30 H new ATOM 0 HB3 PHE A 40 0.668 6.019 3.458 1.00 52.30 H new ATOM 0 HD1 PHE A 40 -1.940 5.745 6.035 1.00 20.14 H new ATOM 0 HD2 PHE A 40 1.712 4.123 4.557 1.00 33.44 H new ATOM 0 HE1 PHE A 40 -2.266 3.747 7.426 1.00 3.22 H new ATOM 0 HE2 PHE A 40 1.387 2.122 5.947 1.00 41.12 H new ATOM 0 HZ PHE A 40 -0.605 1.929 7.382 1.00 42.00 H new ATOM 654 N ASP A 41 1.708 9.372 3.912 1.00 4.22 N ATOM 655 CA ASP A 41 1.629 10.641 3.198 1.00 11.33 C ATOM 656 C ASP A 41 0.651 10.548 2.031 1.00 62.20 C ATOM 657 O ASP A 41 0.024 11.537 1.653 1.00 52.42 O ATOM 658 CB ASP A 41 3.012 11.053 2.690 1.00 74.50 C ATOM 659 CG ASP A 41 3.714 12.010 3.633 1.00 72.23 C ATOM 660 OD1 ASP A 41 3.352 13.205 3.642 1.00 63.12 O ATOM 661 OD2 ASP A 41 4.626 11.564 4.361 1.00 53.23 O ATOM 0 H ASP A 41 2.657 9.022 4.046 1.00 4.22 H new ATOM 0 HA ASP A 41 1.266 11.398 3.893 1.00 11.33 H new ATOM 0 HB2 ASP A 41 3.627 10.163 2.556 1.00 74.50 H new ATOM 0 HB3 ASP A 41 2.912 11.521 1.711 1.00 74.50 H new ATOM 666 N TYR A 42 0.528 9.353 1.464 1.00 52.12 N ATOM 667 CA TYR A 42 -0.371 9.131 0.337 1.00 4.01 C ATOM 668 C TYR A 42 -1.077 7.784 0.461 1.00 42.35 C ATOM 669 O TYR A 42 -0.433 6.741 0.577 1.00 54.01 O ATOM 670 CB TYR A 42 0.404 9.194 -0.980 1.00 42.33 C ATOM 671 CG TYR A 42 -0.451 8.932 -2.199 1.00 53.41 C ATOM 672 CD1 TYR A 42 -1.753 9.413 -2.275 1.00 20.15 C ATOM 673 CD2 TYR A 42 0.041 8.204 -3.275 1.00 22.13 C ATOM 674 CE1 TYR A 42 -2.539 9.176 -3.386 1.00 23.42 C ATOM 675 CE2 TYR A 42 -0.737 7.963 -4.391 1.00 3.15 C ATOM 676 CZ TYR A 42 -2.026 8.451 -4.441 1.00 60.33 C ATOM 677 OH TYR A 42 -2.805 8.212 -5.550 1.00 64.34 O ATOM 0 H TYR A 42 1.039 8.523 1.766 1.00 52.12 H new ATOM 0 HA TYR A 42 -1.125 9.918 0.345 1.00 4.01 H new ATOM 0 HB2 TYR A 42 0.864 10.177 -1.074 1.00 42.33 H new ATOM 0 HB3 TYR A 42 1.213 8.465 -0.951 1.00 42.33 H new ATOM 0 HD1 TYR A 42 -2.157 9.982 -1.451 1.00 20.15 H new ATOM 0 HD2 TYR A 42 1.050 7.820 -3.238 1.00 22.13 H new ATOM 0 HE1 TYR A 42 -3.549 9.556 -3.428 1.00 23.42 H new ATOM 0 HE2 TYR A 42 -0.338 7.396 -5.219 1.00 3.15 H new ATOM 0 HH TYR A 42 -3.752 8.280 -5.306 1.00 64.34 H new ATOM 687 N PHE A 43 -2.405 7.815 0.434 1.00 50.54 N ATOM 688 CA PHE A 43 -3.201 6.598 0.543 1.00 43.33 C ATOM 689 C PHE A 43 -4.299 6.570 -0.516 1.00 61.33 C ATOM 690 O PHE A 43 -5.199 7.410 -0.515 1.00 34.55 O ATOM 691 CB PHE A 43 -3.819 6.491 1.938 1.00 13.41 C ATOM 692 CG PHE A 43 -3.873 5.085 2.464 1.00 52.43 C ATOM 693 CD1 PHE A 43 -3.902 4.007 1.594 1.00 11.21 C ATOM 694 CD2 PHE A 43 -3.896 4.842 3.828 1.00 45.14 C ATOM 695 CE1 PHE A 43 -3.951 2.712 2.075 1.00 54.05 C ATOM 696 CE2 PHE A 43 -3.944 3.549 4.314 1.00 54.32 C ATOM 697 CZ PHE A 43 -3.974 2.483 3.436 1.00 4.03 C ATOM 0 H PHE A 43 -2.953 8.670 0.338 1.00 50.54 H new ATOM 0 HA PHE A 43 -2.541 5.746 0.379 1.00 43.33 H new ATOM 0 HB2 PHE A 43 -3.244 7.107 2.629 1.00 13.41 H new ATOM 0 HB3 PHE A 43 -4.829 6.899 1.911 1.00 13.41 H new ATOM 0 HD1 PHE A 43 -3.886 4.180 0.528 1.00 11.21 H new ATOM 0 HD2 PHE A 43 -3.876 5.672 4.519 1.00 45.14 H new ATOM 0 HE1 PHE A 43 -3.971 1.880 1.387 1.00 54.05 H new ATOM 0 HE2 PHE A 43 -3.958 3.372 5.379 1.00 54.32 H new ATOM 0 HZ PHE A 43 -4.015 1.472 3.814 1.00 4.03 H new ATOM 707 N ILE A 44 -4.217 5.598 -1.419 1.00 44.32 N ATOM 708 CA ILE A 44 -5.203 5.460 -2.483 1.00 61.34 C ATOM 709 C ILE A 44 -5.603 4.001 -2.675 1.00 73.22 C ATOM 710 O ILE A 44 -4.775 3.159 -3.022 1.00 61.23 O ATOM 711 CB ILE A 44 -4.672 6.014 -3.819 1.00 12.45 C ATOM 712 CG1 ILE A 44 -5.579 5.581 -4.972 1.00 40.13 C ATOM 713 CG2 ILE A 44 -3.244 5.547 -4.056 1.00 0.31 C ATOM 714 CD1 ILE A 44 -5.779 6.654 -6.020 1.00 3.14 C ATOM 0 H ILE A 44 -3.478 4.895 -1.435 1.00 44.32 H new ATOM 0 HA ILE A 44 -6.076 6.038 -2.181 1.00 61.34 H new ATOM 0 HB ILE A 44 -4.673 7.103 -3.770 1.00 12.45 H new ATOM 0 HG12 ILE A 44 -5.153 4.697 -5.446 1.00 40.13 H new ATOM 0 HG13 ILE A 44 -6.550 5.291 -4.571 1.00 40.13 H new ATOM 0 HG21 ILE A 44 -2.883 5.947 -5.004 1.00 0.31 H new ATOM 0 HG22 ILE A 44 -2.606 5.901 -3.246 1.00 0.31 H new ATOM 0 HG23 ILE A 44 -3.218 4.458 -4.088 1.00 0.31 H new ATOM 0 HD11 ILE A 44 -6.433 6.277 -6.807 1.00 3.14 H new ATOM 0 HD12 ILE A 44 -6.234 7.532 -5.560 1.00 3.14 H new ATOM 0 HD13 ILE A 44 -4.815 6.928 -6.449 1.00 3.14 H new ATOM 726 N VAL A 45 -6.880 3.709 -2.448 1.00 71.54 N ATOM 727 CA VAL A 45 -7.392 2.352 -2.599 1.00 71.30 C ATOM 728 C VAL A 45 -8.482 2.291 -3.663 1.00 73.30 C ATOM 729 O VAL A 45 -9.245 3.239 -3.840 1.00 54.20 O ATOM 730 CB VAL A 45 -7.956 1.814 -1.270 1.00 71.04 C ATOM 731 CG1 VAL A 45 -8.039 0.295 -1.301 1.00 53.51 C ATOM 732 CG2 VAL A 45 -7.105 2.286 -0.101 1.00 53.01 C ATOM 0 H VAL A 45 -7.579 4.394 -2.159 1.00 71.54 H new ATOM 0 HA VAL A 45 -6.552 1.729 -2.907 1.00 71.30 H new ATOM 0 HB VAL A 45 -8.964 2.206 -1.138 1.00 71.04 H new ATOM 0 HG11 VAL A 45 -8.439 -0.067 -0.354 1.00 53.51 H new ATOM 0 HG12 VAL A 45 -8.694 -0.017 -2.115 1.00 53.51 H new ATOM 0 HG13 VAL A 45 -7.043 -0.121 -1.456 1.00 53.51 H new ATOM 0 HG21 VAL A 45 -7.518 1.897 0.830 1.00 53.01 H new ATOM 0 HG22 VAL A 45 -6.084 1.924 -0.225 1.00 53.01 H new ATOM 0 HG23 VAL A 45 -7.103 3.376 -0.069 1.00 53.01 H new ATOM 742 N GLY A 46 -8.550 1.166 -4.370 1.00 3.41 N ATOM 743 CA GLY A 46 -9.550 1.002 -5.408 1.00 72.20 C ATOM 744 C GLY A 46 -10.196 -0.369 -5.378 1.00 73.13 C ATOM 745 O GLY A 46 -9.511 -1.382 -5.245 1.00 23.12 O ATOM 0 H GLY A 46 -7.930 0.366 -4.242 1.00 3.41 H new ATOM 0 HA2 GLY A 46 -10.319 1.765 -5.291 1.00 72.20 H new ATOM 0 HA3 GLY A 46 -9.088 1.161 -6.382 1.00 72.20 H new ATOM 749 N GLU A 47 -11.520 -0.401 -5.501 1.00 44.15 N ATOM 750 CA GLU A 47 -12.258 -1.658 -5.485 1.00 63.44 C ATOM 751 C GLU A 47 -12.474 -2.180 -6.903 1.00 35.21 C ATOM 752 O GLU A 47 -12.866 -1.431 -7.797 1.00 73.42 O ATOM 753 CB GLU A 47 -13.606 -1.475 -4.786 1.00 31.01 C ATOM 754 CG GLU A 47 -14.413 -2.758 -4.674 1.00 53.53 C ATOM 755 CD GLU A 47 -15.897 -2.500 -4.501 1.00 55.45 C ATOM 756 OE1 GLU A 47 -16.343 -2.347 -3.345 1.00 72.50 O ATOM 757 OE2 GLU A 47 -16.613 -2.450 -5.524 1.00 13.32 O ATOM 0 H GLU A 47 -12.102 0.429 -5.613 1.00 44.15 H new ATOM 0 HA GLU A 47 -11.668 -2.389 -4.933 1.00 63.44 H new ATOM 0 HB2 GLU A 47 -13.436 -1.074 -3.787 1.00 31.01 H new ATOM 0 HB3 GLU A 47 -14.191 -0.734 -5.331 1.00 31.01 H new ATOM 0 HG2 GLU A 47 -14.255 -3.362 -5.568 1.00 53.53 H new ATOM 0 HG3 GLU A 47 -14.048 -3.340 -3.828 1.00 53.53 H new ATOM 764 N GLU A 48 -12.216 -3.469 -7.099 1.00 22.43 N ATOM 765 CA GLU A 48 -12.381 -4.091 -8.407 1.00 52.25 C ATOM 766 C GLU A 48 -13.467 -5.162 -8.368 1.00 21.44 C ATOM 767 O GLU A 48 -13.730 -5.757 -7.323 1.00 45.11 O ATOM 768 CB GLU A 48 -11.060 -4.705 -8.876 1.00 12.22 C ATOM 769 CG GLU A 48 -11.026 -5.014 -10.363 1.00 52.21 C ATOM 770 CD GLU A 48 -11.130 -6.499 -10.653 1.00 14.50 C ATOM 771 OE1 GLU A 48 -10.327 -7.271 -10.090 1.00 34.42 O ATOM 772 OE2 GLU A 48 -12.016 -6.887 -11.443 1.00 62.34 O ATOM 0 H GLU A 48 -11.892 -4.103 -6.368 1.00 22.43 H new ATOM 0 HA GLU A 48 -12.684 -3.317 -9.112 1.00 52.25 H new ATOM 0 HB2 GLU A 48 -10.246 -4.021 -8.637 1.00 12.22 H new ATOM 0 HB3 GLU A 48 -10.878 -5.624 -8.318 1.00 12.22 H new ATOM 0 HG2 GLU A 48 -11.846 -4.493 -10.857 1.00 52.21 H new ATOM 0 HG3 GLU A 48 -10.100 -4.628 -10.789 1.00 52.21 H new ATOM 779 N GLY A 49 -14.095 -5.403 -9.514 1.00 55.14 N ATOM 780 CA GLY A 49 -15.146 -6.402 -9.589 1.00 42.54 C ATOM 781 C GLY A 49 -16.286 -5.977 -10.494 1.00 1.04 C ATOM 782 O GLY A 49 -17.451 -6.031 -10.102 1.00 3.15 O ATOM 0 H GLY A 49 -13.895 -4.925 -10.392 1.00 55.14 H new ATOM 0 HA2 GLY A 49 -14.727 -7.340 -9.954 1.00 42.54 H new ATOM 0 HA3 GLY A 49 -15.533 -6.594 -8.588 1.00 42.54 H new ATOM 786 N ASN A 50 -15.950 -5.552 -11.707 1.00 41.31 N ATOM 787 CA ASN A 50 -16.955 -5.114 -12.669 1.00 1.30 C ATOM 788 C ASN A 50 -17.279 -6.226 -13.662 1.00 2.22 C ATOM 789 O ASN A 50 -17.414 -5.981 -14.860 1.00 53.10 O ATOM 790 CB ASN A 50 -16.467 -3.872 -13.418 1.00 61.11 C ATOM 791 CG ASN A 50 -17.577 -2.866 -13.654 1.00 4.43 C ATOM 792 OD1 ASN A 50 -17.828 -2.457 -14.787 1.00 54.42 O ATOM 793 ND2 ASN A 50 -18.246 -2.461 -12.580 1.00 70.35 N ATOM 0 H ASN A 50 -14.990 -5.501 -12.047 1.00 41.31 H new ATOM 0 HA ASN A 50 -17.863 -4.866 -12.120 1.00 1.30 H new ATOM 0 HB2 ASN A 50 -15.667 -3.399 -12.849 1.00 61.11 H new ATOM 0 HB3 ASN A 50 -16.043 -4.172 -14.376 1.00 61.11 H new ATOM 0 HD21 ASN A 50 -19.003 -1.784 -12.676 1.00 70.35 H new ATOM 0 HD22 ASN A 50 -18.003 -2.827 -11.660 1.00 70.35 H new ATOM 800 N GLU A 51 -17.402 -7.448 -13.154 1.00 21.13 N ATOM 801 CA GLU A 51 -17.710 -8.598 -13.996 1.00 42.44 C ATOM 802 C GLU A 51 -18.604 -9.590 -13.258 1.00 40.41 C ATOM 803 O GLU A 51 -18.182 -10.217 -12.287 1.00 51.13 O ATOM 804 CB GLU A 51 -16.421 -9.290 -14.443 1.00 23.51 C ATOM 805 CG GLU A 51 -16.595 -10.168 -15.671 1.00 53.32 C ATOM 806 CD GLU A 51 -16.110 -9.497 -16.941 1.00 44.43 C ATOM 807 OE1 GLU A 51 -15.082 -8.789 -16.882 1.00 14.42 O ATOM 808 OE2 GLU A 51 -16.756 -9.679 -17.994 1.00 10.31 O ATOM 0 H GLU A 51 -17.293 -7.667 -12.164 1.00 21.13 H new ATOM 0 HA GLU A 51 -18.245 -8.239 -14.875 1.00 42.44 H new ATOM 0 HB2 GLU A 51 -15.666 -8.532 -14.653 1.00 23.51 H new ATOM 0 HB3 GLU A 51 -16.042 -9.899 -13.622 1.00 23.51 H new ATOM 0 HG2 GLU A 51 -16.050 -11.101 -15.526 1.00 53.32 H new ATOM 0 HG3 GLU A 51 -17.648 -10.428 -15.781 1.00 53.32 H new ATOM 815 N GLU A 52 -19.841 -9.724 -13.726 1.00 61.41 N ATOM 816 CA GLU A 52 -20.795 -10.639 -13.109 1.00 41.44 C ATOM 817 C GLU A 52 -20.273 -12.072 -13.141 1.00 71.32 C ATOM 818 O GLU A 52 -19.568 -12.467 -14.069 1.00 33.52 O ATOM 819 CB GLU A 52 -22.146 -10.560 -13.824 1.00 4.11 C ATOM 820 CG GLU A 52 -23.323 -10.947 -12.944 1.00 42.45 C ATOM 821 CD GLU A 52 -24.639 -10.391 -13.453 1.00 44.24 C ATOM 822 OE1 GLU A 52 -25.283 -11.060 -14.288 1.00 1.21 O ATOM 823 OE2 GLU A 52 -25.024 -9.286 -13.016 1.00 61.04 O ATOM 0 H GLU A 52 -20.206 -9.212 -14.529 1.00 61.41 H new ATOM 0 HA GLU A 52 -20.925 -10.341 -12.068 1.00 41.44 H new ATOM 0 HB2 GLU A 52 -22.295 -9.544 -14.190 1.00 4.11 H new ATOM 0 HB3 GLU A 52 -22.125 -11.213 -14.696 1.00 4.11 H new ATOM 0 HG2 GLU A 52 -23.389 -12.034 -12.889 1.00 42.45 H new ATOM 0 HG3 GLU A 52 -23.148 -10.586 -11.930 1.00 42.45 H new ATOM 830 N GLY A 53 -20.625 -12.847 -12.119 1.00 42.22 N ATOM 831 CA GLY A 53 -20.183 -14.227 -12.048 1.00 72.43 C ATOM 832 C GLY A 53 -18.897 -14.385 -11.262 1.00 62.02 C ATOM 833 O GLY A 53 -18.582 -15.476 -10.786 1.00 13.22 O ATOM 0 H GLY A 53 -21.208 -12.543 -11.339 1.00 42.22 H new ATOM 0 HA2 GLY A 53 -20.964 -14.832 -11.587 1.00 72.43 H new ATOM 0 HA3 GLY A 53 -20.037 -14.611 -13.058 1.00 72.43 H new ATOM 837 N ARG A 54 -18.150 -13.294 -11.127 1.00 51.14 N ATOM 838 CA ARG A 54 -16.889 -13.317 -10.396 1.00 50.31 C ATOM 839 C ARG A 54 -16.972 -12.451 -9.142 1.00 31.50 C ATOM 840 O ARG A 54 -17.784 -11.529 -9.063 1.00 40.21 O ATOM 841 CB ARG A 54 -15.748 -12.829 -11.290 1.00 65.33 C ATOM 842 CG ARG A 54 -14.368 -13.055 -10.694 1.00 62.31 C ATOM 843 CD ARG A 54 -13.271 -12.798 -11.715 1.00 63.33 C ATOM 844 NE ARG A 54 -12.473 -13.994 -11.975 1.00 33.13 N ATOM 845 CZ ARG A 54 -11.564 -14.468 -11.131 1.00 22.24 C ATOM 846 NH1 ARG A 54 -11.338 -13.851 -9.979 1.00 30.31 N ATOM 847 NH2 ARG A 54 -10.878 -15.562 -11.438 1.00 33.03 N ATOM 0 H ARG A 54 -18.396 -12.383 -11.514 1.00 51.14 H new ATOM 0 HA ARG A 54 -16.691 -14.346 -10.095 1.00 50.31 H new ATOM 0 HB2 ARG A 54 -15.807 -13.339 -12.251 1.00 65.33 H new ATOM 0 HB3 ARG A 54 -15.880 -11.765 -11.485 1.00 65.33 H new ATOM 0 HG2 ARG A 54 -14.229 -12.397 -9.836 1.00 62.31 H new ATOM 0 HG3 ARG A 54 -14.292 -14.079 -10.327 1.00 62.31 H new ATOM 0 HD2 ARG A 54 -13.717 -12.451 -12.647 1.00 63.33 H new ATOM 0 HD3 ARG A 54 -12.621 -12.000 -11.356 1.00 63.33 H new ATOM 0 HE ARG A 54 -12.622 -14.492 -12.853 1.00 33.13 H new ATOM 0 HH11 ARG A 54 -11.863 -13.010 -9.739 1.00 30.31 H new ATOM 0 HH12 ARG A 54 -10.639 -14.217 -9.333 1.00 30.31 H new ATOM 0 HH21 ARG A 54 -11.049 -16.039 -12.323 1.00 33.03 H new ATOM 0 HH22 ARG A 54 -10.180 -15.925 -10.789 1.00 33.03 H new ATOM 861 N THR A 55 -16.127 -12.756 -8.162 1.00 43.20 N ATOM 862 CA THR A 55 -16.105 -12.008 -6.911 1.00 53.03 C ATOM 863 C THR A 55 -15.230 -10.766 -7.028 1.00 44.24 C ATOM 864 O THR A 55 -14.361 -10.669 -7.895 1.00 41.34 O ATOM 865 CB THR A 55 -15.593 -12.876 -5.747 1.00 5.24 C ATOM 866 OG1 THR A 55 -14.922 -14.034 -6.257 1.00 1.34 O ATOM 867 CG2 THR A 55 -16.740 -13.304 -4.845 1.00 33.31 C ATOM 0 H THR A 55 -15.449 -13.516 -8.211 1.00 43.20 H new ATOM 0 HA THR A 55 -17.132 -11.706 -6.705 1.00 53.03 H new ATOM 0 HB THR A 55 -14.894 -12.281 -5.160 1.00 5.24 H new ATOM 0 HG1 THR A 55 -14.598 -14.580 -5.510 1.00 1.34 H new ATOM 0 HG21 THR A 55 -16.353 -13.916 -4.030 1.00 33.31 H new ATOM 0 HG22 THR A 55 -17.229 -12.421 -4.435 1.00 33.31 H new ATOM 0 HG23 THR A 55 -17.461 -13.882 -5.423 1.00 33.31 H new ATOM 875 N PRO A 56 -15.460 -9.792 -6.136 1.00 13.24 N ATOM 876 CA PRO A 56 -14.701 -8.538 -6.118 1.00 11.01 C ATOM 877 C PRO A 56 -13.258 -8.741 -5.670 1.00 44.32 C ATOM 878 O PRO A 56 -12.914 -9.776 -5.099 1.00 64.24 O ATOM 879 CB PRO A 56 -15.460 -7.678 -5.104 1.00 23.22 C ATOM 880 CG PRO A 56 -16.139 -8.657 -4.210 1.00 20.41 C ATOM 881 CD PRO A 56 -16.480 -9.840 -5.074 1.00 41.22 C ATOM 0 HA PRO A 56 -14.631 -8.090 -7.109 1.00 11.01 H new ATOM 0 HB2 PRO A 56 -14.781 -7.035 -4.544 1.00 23.22 H new ATOM 0 HB3 PRO A 56 -16.181 -7.027 -5.598 1.00 23.22 H new ATOM 0 HG2 PRO A 56 -15.488 -8.950 -3.386 1.00 20.41 H new ATOM 0 HG3 PRO A 56 -17.037 -8.225 -3.768 1.00 20.41 H new ATOM 0 HD2 PRO A 56 -16.433 -10.774 -4.514 1.00 41.22 H new ATOM 0 HD3 PRO A 56 -17.488 -9.763 -5.481 1.00 41.22 H new ATOM 889 N HIS A 57 -12.416 -7.746 -5.932 1.00 52.53 N ATOM 890 CA HIS A 57 -11.009 -7.815 -5.555 1.00 1.31 C ATOM 891 C HIS A 57 -10.519 -6.467 -5.033 1.00 73.14 C ATOM 892 O HIS A 57 -10.860 -5.417 -5.580 1.00 63.13 O ATOM 893 CB HIS A 57 -10.160 -8.252 -6.749 1.00 2.30 C ATOM 894 CG HIS A 57 -8.686 -8.187 -6.491 1.00 62.33 C ATOM 895 ND1 HIS A 57 -7.915 -7.088 -6.803 1.00 44.41 N ATOM 896 CD2 HIS A 57 -7.842 -9.095 -5.946 1.00 41.53 C ATOM 897 CE1 HIS A 57 -6.660 -7.322 -6.463 1.00 2.23 C ATOM 898 NE2 HIS A 57 -6.589 -8.533 -5.940 1.00 1.30 N ATOM 0 H HIS A 57 -12.684 -6.882 -6.404 1.00 52.53 H new ATOM 0 HA HIS A 57 -10.908 -8.552 -4.758 1.00 1.31 H new ATOM 0 HB2 HIS A 57 -10.428 -9.273 -7.021 1.00 2.30 H new ATOM 0 HB3 HIS A 57 -10.399 -7.621 -7.605 1.00 2.30 H new ATOM 0 HD1 HIS A 57 -8.260 -6.228 -7.230 1.00 44.41 H new ATOM 0 HD2 HIS A 57 -8.105 -10.078 -5.584 1.00 41.53 H new ATOM 0 HE1 HIS A 57 -5.833 -6.639 -6.591 1.00 2.23 H new ATOM 906 N LEU A 58 -9.720 -6.504 -3.973 1.00 41.41 N ATOM 907 CA LEU A 58 -9.184 -5.285 -3.377 1.00 2.12 C ATOM 908 C LEU A 58 -7.786 -4.987 -3.910 1.00 71.11 C ATOM 909 O LEU A 58 -6.933 -5.872 -3.969 1.00 71.24 O ATOM 910 CB LEU A 58 -9.144 -5.414 -1.853 1.00 61.01 C ATOM 911 CG LEU A 58 -9.974 -4.396 -1.071 1.00 55.43 C ATOM 912 CD1 LEU A 58 -9.732 -4.543 0.423 1.00 44.03 C ATOM 913 CD2 LEU A 58 -9.652 -2.981 -1.529 1.00 11.40 C ATOM 0 H LEU A 58 -9.429 -7.364 -3.508 1.00 41.41 H new ATOM 0 HA LEU A 58 -9.840 -4.458 -3.649 1.00 2.12 H new ATOM 0 HB2 LEU A 58 -9.485 -6.414 -1.584 1.00 61.01 H new ATOM 0 HB3 LEU A 58 -8.107 -5.333 -1.529 1.00 61.01 H new ATOM 0 HG LEU A 58 -11.029 -4.589 -1.267 1.00 55.43 H new ATOM 0 HD11 LEU A 58 -10.332 -3.810 0.963 1.00 44.03 H new ATOM 0 HD12 LEU A 58 -10.014 -5.547 0.740 1.00 44.03 H new ATOM 0 HD13 LEU A 58 -8.676 -4.378 0.639 1.00 44.03 H new ATOM 0 HD21 LEU A 58 -10.252 -2.270 -0.962 1.00 11.40 H new ATOM 0 HD22 LEU A 58 -8.594 -2.777 -1.363 1.00 11.40 H new ATOM 0 HD23 LEU A 58 -9.879 -2.882 -2.590 1.00 11.40 H new ATOM 925 N GLN A 59 -7.559 -3.735 -4.294 1.00 73.25 N ATOM 926 CA GLN A 59 -6.264 -3.321 -4.821 1.00 72.11 C ATOM 927 C GLN A 59 -6.015 -1.841 -4.552 1.00 13.30 C ATOM 928 O GLN A 59 -6.682 -0.976 -5.118 1.00 52.23 O ATOM 929 CB GLN A 59 -6.189 -3.598 -6.324 1.00 24.24 C ATOM 930 CG GLN A 59 -5.005 -2.932 -7.006 1.00 52.24 C ATOM 931 CD GLN A 59 -3.676 -3.352 -6.412 1.00 24.23 C ATOM 932 OE1 GLN A 59 -3.403 -3.107 -5.236 1.00 42.33 O ATOM 933 NE2 GLN A 59 -2.839 -3.990 -7.222 1.00 54.03 N ATOM 0 H GLN A 59 -8.254 -2.990 -4.250 1.00 73.25 H new ATOM 0 HA GLN A 59 -5.492 -3.899 -4.313 1.00 72.11 H new ATOM 0 HB2 GLN A 59 -6.132 -4.675 -6.484 1.00 24.24 H new ATOM 0 HB3 GLN A 59 -7.110 -3.254 -6.795 1.00 24.24 H new ATOM 0 HG2 GLN A 59 -5.017 -3.177 -8.068 1.00 52.24 H new ATOM 0 HG3 GLN A 59 -5.108 -1.850 -6.928 1.00 52.24 H new ATOM 0 HE21 GLN A 59 -3.105 -4.173 -8.190 1.00 54.03 H new ATOM 0 HE22 GLN A 59 -1.930 -4.298 -6.877 1.00 54.03 H new ATOM 942 N GLY A 60 -5.050 -1.556 -3.683 1.00 32.13 N ATOM 943 CA GLY A 60 -4.731 -0.179 -3.353 1.00 62.42 C ATOM 944 C GLY A 60 -3.260 0.016 -3.041 1.00 34.10 C ATOM 945 O GLY A 60 -2.539 -0.949 -2.785 1.00 13.54 O ATOM 0 H GLY A 60 -4.483 -2.254 -3.202 1.00 32.13 H new ATOM 0 HA2 GLY A 60 -5.011 0.465 -4.186 1.00 62.42 H new ATOM 0 HA3 GLY A 60 -5.326 0.133 -2.495 1.00 62.42 H new ATOM 949 N PHE A 61 -2.813 1.267 -3.064 1.00 13.12 N ATOM 950 CA PHE A 61 -1.418 1.586 -2.784 1.00 32.35 C ATOM 951 C PHE A 61 -1.311 2.648 -1.693 1.00 33.41 C ATOM 952 O PHE A 61 -2.089 3.600 -1.661 1.00 55.30 O ATOM 953 CB PHE A 61 -0.719 2.072 -4.055 1.00 23.24 C ATOM 954 CG PHE A 61 0.633 2.676 -3.801 1.00 51.03 C ATOM 955 CD1 PHE A 61 1.586 1.990 -3.066 1.00 63.14 C ATOM 956 CD2 PHE A 61 0.950 3.930 -4.299 1.00 22.35 C ATOM 957 CE1 PHE A 61 2.830 2.544 -2.831 1.00 44.12 C ATOM 958 CE2 PHE A 61 2.193 4.489 -4.067 1.00 31.20 C ATOM 959 CZ PHE A 61 3.135 3.794 -3.333 1.00 54.42 C ATOM 0 H PHE A 61 -3.397 2.077 -3.274 1.00 13.12 H new ATOM 0 HA PHE A 61 -0.927 0.678 -2.432 1.00 32.35 H new ATOM 0 HB2 PHE A 61 -0.610 1.234 -4.744 1.00 23.24 H new ATOM 0 HB3 PHE A 61 -1.351 2.810 -4.548 1.00 23.24 H new ATOM 0 HD1 PHE A 61 1.354 1.011 -2.672 1.00 63.14 H new ATOM 0 HD2 PHE A 61 0.218 4.477 -4.875 1.00 22.35 H new ATOM 0 HE1 PHE A 61 3.564 2.000 -2.255 1.00 44.12 H new ATOM 0 HE2 PHE A 61 2.427 5.468 -4.459 1.00 31.20 H new ATOM 0 HZ PHE A 61 4.108 4.227 -3.152 1.00 54.42 H new ATOM 969 N ALA A 62 -0.342 2.475 -0.800 1.00 61.13 N ATOM 970 CA ALA A 62 -0.131 3.418 0.291 1.00 35.00 C ATOM 971 C ALA A 62 1.353 3.706 0.489 1.00 32.13 C ATOM 972 O ALA A 62 2.175 2.791 0.504 1.00 44.32 O ATOM 973 CB ALA A 62 -0.744 2.882 1.577 1.00 45.21 C ATOM 0 H ALA A 62 0.309 1.690 -0.811 1.00 61.13 H new ATOM 0 HA ALA A 62 -0.623 4.355 0.030 1.00 35.00 H new ATOM 0 HB1 ALA A 62 -0.579 3.596 2.384 1.00 45.21 H new ATOM 0 HB2 ALA A 62 -1.815 2.735 1.436 1.00 45.21 H new ATOM 0 HB3 ALA A 62 -0.278 1.931 1.833 1.00 45.21 H new ATOM 979 N ASN A 63 1.688 4.983 0.641 1.00 40.11 N ATOM 980 CA ASN A 63 3.074 5.391 0.837 1.00 3.30 C ATOM 981 C ASN A 63 3.381 5.580 2.320 1.00 64.44 C ATOM 982 O ASN A 63 2.845 6.479 2.966 1.00 1.44 O ATOM 983 CB ASN A 63 3.358 6.689 0.077 1.00 21.42 C ATOM 984 CG ASN A 63 3.904 6.436 -1.315 1.00 74.20 C ATOM 985 OD1 ASN A 63 4.822 5.636 -1.498 1.00 53.32 O ATOM 986 ND2 ASN A 63 3.339 7.118 -2.304 1.00 42.44 N ATOM 0 H ASN A 63 1.019 5.753 0.632 1.00 40.11 H new ATOM 0 HA ASN A 63 3.717 4.602 0.448 1.00 3.30 H new ATOM 0 HB2 ASN A 63 2.440 7.272 0.004 1.00 21.42 H new ATOM 0 HB3 ASN A 63 4.072 7.288 0.641 1.00 21.42 H new ATOM 0 HD21 ASN A 63 3.663 6.989 -3.263 1.00 42.44 H new ATOM 0 HD22 ASN A 63 2.581 7.771 -2.105 1.00 42.44 H new ATOM 993 N PHE A 64 4.249 4.725 2.852 1.00 74.33 N ATOM 994 CA PHE A 64 4.627 4.796 4.258 1.00 5.11 C ATOM 995 C PHE A 64 5.455 6.048 4.536 1.00 55.03 C ATOM 996 O PHE A 64 6.453 6.308 3.864 1.00 54.24 O ATOM 997 CB PHE A 64 5.419 3.549 4.659 1.00 54.30 C ATOM 998 CG PHE A 64 4.661 2.626 5.570 1.00 4.23 C ATOM 999 CD1 PHE A 64 4.456 2.959 6.900 1.00 70.53 C ATOM 1000 CD2 PHE A 64 4.155 1.426 5.098 1.00 53.44 C ATOM 1001 CE1 PHE A 64 3.760 2.110 7.740 1.00 3.54 C ATOM 1002 CE2 PHE A 64 3.458 0.574 5.934 1.00 53.44 C ATOM 1003 CZ PHE A 64 3.259 0.918 7.257 1.00 65.44 C ATOM 0 H PHE A 64 4.703 3.975 2.330 1.00 74.33 H new ATOM 0 HA PHE A 64 3.714 4.845 4.852 1.00 5.11 H new ATOM 0 HB2 PHE A 64 5.705 3.005 3.759 1.00 54.30 H new ATOM 0 HB3 PHE A 64 6.341 3.857 5.152 1.00 54.30 H new ATOM 0 HD1 PHE A 64 4.844 3.891 7.284 1.00 70.53 H new ATOM 0 HD2 PHE A 64 4.307 1.153 4.064 1.00 53.44 H new ATOM 0 HE1 PHE A 64 3.608 2.380 8.775 1.00 3.54 H new ATOM 0 HE2 PHE A 64 3.070 -0.359 5.553 1.00 53.44 H new ATOM 0 HZ PHE A 64 2.713 0.256 7.912 1.00 65.44 H new ATOM 1013 N VAL A 65 5.031 6.821 5.531 1.00 63.10 N ATOM 1014 CA VAL A 65 5.732 8.046 5.899 1.00 71.51 C ATOM 1015 C VAL A 65 7.168 7.752 6.319 1.00 13.21 C ATOM 1016 O VAL A 65 8.038 8.620 6.246 1.00 14.33 O ATOM 1017 CB VAL A 65 5.013 8.780 7.046 1.00 51.42 C ATOM 1018 CG1 VAL A 65 5.866 9.930 7.561 1.00 33.44 C ATOM 1019 CG2 VAL A 65 3.651 9.280 6.587 1.00 44.20 C ATOM 0 H VAL A 65 4.206 6.621 6.096 1.00 63.10 H new ATOM 0 HA VAL A 65 5.739 8.685 5.016 1.00 71.51 H new ATOM 0 HB VAL A 65 4.860 8.077 7.865 1.00 51.42 H new ATOM 0 HG11 VAL A 65 5.342 10.437 8.371 1.00 33.44 H new ATOM 0 HG12 VAL A 65 6.816 9.542 7.930 1.00 33.44 H new ATOM 0 HG13 VAL A 65 6.052 10.636 6.751 1.00 33.44 H new ATOM 0 HG21 VAL A 65 3.157 9.796 7.410 1.00 44.20 H new ATOM 0 HG22 VAL A 65 3.779 9.968 5.751 1.00 44.20 H new ATOM 0 HG23 VAL A 65 3.041 8.434 6.270 1.00 44.20 H new ATOM 1029 N LYS A 66 7.410 6.522 6.759 1.00 11.01 N ATOM 1030 CA LYS A 66 8.741 6.111 7.190 1.00 11.30 C ATOM 1031 C LYS A 66 9.185 4.849 6.457 1.00 51.51 C ATOM 1032 O LYS A 66 8.499 4.369 5.554 1.00 12.33 O ATOM 1033 CB LYS A 66 8.758 5.869 8.701 1.00 60.21 C ATOM 1034 CG LYS A 66 7.593 5.029 9.195 1.00 0.04 C ATOM 1035 CD LYS A 66 6.448 5.898 9.687 1.00 52.53 C ATOM 1036 CE LYS A 66 6.564 6.184 11.176 1.00 31.12 C ATOM 1037 NZ LYS A 66 5.499 5.496 11.957 1.00 23.55 N ATOM 0 H LYS A 66 6.701 5.792 6.827 1.00 11.01 H new ATOM 0 HA LYS A 66 9.438 6.914 6.949 1.00 11.30 H new ATOM 0 HB2 LYS A 66 9.691 5.375 8.971 1.00 60.21 H new ATOM 0 HB3 LYS A 66 8.746 6.830 9.215 1.00 60.21 H new ATOM 0 HG2 LYS A 66 7.241 4.384 8.390 1.00 0.04 H new ATOM 0 HG3 LYS A 66 7.929 4.378 10.002 1.00 0.04 H new ATOM 0 HD2 LYS A 66 6.440 6.838 9.135 1.00 52.53 H new ATOM 0 HD3 LYS A 66 5.499 5.401 9.484 1.00 52.53 H new ATOM 0 HE2 LYS A 66 7.542 5.861 11.533 1.00 31.12 H new ATOM 0 HE3 LYS A 66 6.502 7.259 11.345 1.00 31.12 H new ATOM 0 HZ1 LYS A 66 5.612 5.716 12.967 1.00 23.55 H new ATOM 0 HZ2 LYS A 66 4.566 5.823 11.634 1.00 23.55 H new ATOM 0 HZ3 LYS A 66 5.574 4.468 11.816 1.00 23.55 H new ATOM 1051 N LYS A 67 10.336 4.316 6.851 1.00 31.44 N ATOM 1052 CA LYS A 67 10.871 3.108 6.234 1.00 32.33 C ATOM 1053 C LYS A 67 10.402 1.862 6.980 1.00 51.31 C ATOM 1054 O LYS A 67 10.632 1.725 8.181 1.00 34.41 O ATOM 1055 CB LYS A 67 12.400 3.156 6.212 1.00 3.10 C ATOM 1056 CG LYS A 67 12.961 4.289 5.370 1.00 13.32 C ATOM 1057 CD LYS A 67 13.377 3.806 3.991 1.00 54.32 C ATOM 1058 CE LYS A 67 14.025 4.920 3.182 1.00 21.45 C ATOM 1059 NZ LYS A 67 14.717 4.396 1.972 1.00 31.33 N ATOM 0 H LYS A 67 10.917 4.702 7.595 1.00 31.44 H new ATOM 0 HA LYS A 67 10.500 3.059 5.210 1.00 32.33 H new ATOM 0 HB2 LYS A 67 12.767 3.258 7.233 1.00 3.10 H new ATOM 0 HB3 LYS A 67 12.779 2.208 5.830 1.00 3.10 H new ATOM 0 HG2 LYS A 67 12.212 5.075 5.271 1.00 13.32 H new ATOM 0 HG3 LYS A 67 13.820 4.729 5.877 1.00 13.32 H new ATOM 0 HD2 LYS A 67 14.074 2.974 4.091 1.00 54.32 H new ATOM 0 HD3 LYS A 67 12.504 3.428 3.458 1.00 54.32 H new ATOM 0 HE2 LYS A 67 13.264 5.641 2.882 1.00 21.45 H new ATOM 0 HE3 LYS A 67 14.741 5.454 3.807 1.00 21.45 H new ATOM 0 HZ1 LYS A 67 15.145 5.186 1.448 1.00 31.33 H new ATOM 0 HZ2 LYS A 67 15.460 3.727 2.259 1.00 31.33 H new ATOM 0 HZ3 LYS A 67 14.029 3.909 1.363 1.00 31.33 H new ATOM 1073 N GLN A 68 9.746 0.959 6.259 1.00 32.33 N ATOM 1074 CA GLN A 68 9.246 -0.275 6.854 1.00 70.31 C ATOM 1075 C GLN A 68 9.554 -1.473 5.962 1.00 62.32 C ATOM 1076 O GLN A 68 9.679 -1.339 4.744 1.00 52.01 O ATOM 1077 CB GLN A 68 7.738 -0.177 7.093 1.00 43.01 C ATOM 1078 CG GLN A 68 7.333 1.018 7.941 1.00 25.43 C ATOM 1079 CD GLN A 68 7.748 0.870 9.392 1.00 0.41 C ATOM 1080 OE1 GLN A 68 7.482 -0.152 10.025 1.00 12.42 O ATOM 1081 NE2 GLN A 68 8.404 1.893 9.927 1.00 1.43 N ATOM 0 H GLN A 68 9.548 1.058 5.263 1.00 32.33 H new ATOM 0 HA GLN A 68 9.750 -0.417 7.810 1.00 70.31 H new ATOM 0 HB2 GLN A 68 7.229 -0.118 6.131 1.00 43.01 H new ATOM 0 HB3 GLN A 68 7.396 -1.090 7.580 1.00 43.01 H new ATOM 0 HG2 GLN A 68 7.783 1.921 7.528 1.00 25.43 H new ATOM 0 HG3 GLN A 68 6.252 1.147 7.887 1.00 25.43 H new ATOM 0 HE21 GLN A 68 8.603 2.721 9.365 1.00 1.43 H new ATOM 0 HE22 GLN A 68 8.709 1.851 10.900 1.00 1.43 H new ATOM 1090 N THR A 69 9.677 -2.646 6.576 1.00 71.24 N ATOM 1091 CA THR A 69 9.972 -3.868 5.838 1.00 42.22 C ATOM 1092 C THR A 69 8.692 -4.590 5.435 1.00 54.23 C ATOM 1093 O THR A 69 7.598 -4.222 5.864 1.00 40.52 O ATOM 1094 CB THR A 69 10.849 -4.826 6.666 1.00 45.15 C ATOM 1095 OG1 THR A 69 10.046 -5.520 7.626 1.00 14.42 O ATOM 1096 CG2 THR A 69 11.958 -4.065 7.378 1.00 35.54 C ATOM 0 H THR A 69 9.577 -2.775 7.583 1.00 71.24 H new ATOM 0 HA THR A 69 10.516 -3.572 4.941 1.00 42.22 H new ATOM 0 HB THR A 69 11.303 -5.547 5.986 1.00 45.15 H new ATOM 0 HG1 THR A 69 10.611 -6.128 8.147 1.00 14.42 H new ATOM 0 HG21 THR A 69 12.564 -4.762 7.956 1.00 35.54 H new ATOM 0 HG22 THR A 69 12.585 -3.563 6.642 1.00 35.54 H new ATOM 0 HG23 THR A 69 11.520 -3.324 8.047 1.00 35.54 H new ATOM 1104 N PHE A 70 8.834 -5.621 4.608 1.00 1.51 N ATOM 1105 CA PHE A 70 7.688 -6.395 4.147 1.00 53.33 C ATOM 1106 C PHE A 70 6.974 -7.061 5.319 1.00 12.13 C ATOM 1107 O PHE A 70 5.766 -6.906 5.493 1.00 31.02 O ATOM 1108 CB PHE A 70 8.134 -7.455 3.138 1.00 41.12 C ATOM 1109 CG PHE A 70 7.112 -8.532 2.908 1.00 3.41 C ATOM 1110 CD1 PHE A 70 5.907 -8.241 2.289 1.00 3.22 C ATOM 1111 CD2 PHE A 70 7.357 -9.834 3.312 1.00 72.45 C ATOM 1112 CE1 PHE A 70 4.965 -9.229 2.076 1.00 70.31 C ATOM 1113 CE2 PHE A 70 6.419 -10.827 3.101 1.00 74.15 C ATOM 1114 CZ PHE A 70 5.221 -10.524 2.483 1.00 13.01 C ATOM 0 H PHE A 70 9.732 -5.939 4.244 1.00 1.51 H new ATOM 0 HA PHE A 70 6.992 -5.711 3.661 1.00 53.33 H new ATOM 0 HB2 PHE A 70 8.358 -6.969 2.188 1.00 41.12 H new ATOM 0 HB3 PHE A 70 9.059 -7.912 3.489 1.00 41.12 H new ATOM 0 HD1 PHE A 70 5.702 -7.230 1.969 1.00 3.22 H new ATOM 0 HD2 PHE A 70 8.291 -10.076 3.797 1.00 72.45 H new ATOM 0 HE1 PHE A 70 4.030 -8.989 1.592 1.00 70.31 H new ATOM 0 HE2 PHE A 70 6.622 -11.839 3.419 1.00 74.15 H new ATOM 0 HZ PHE A 70 4.486 -11.298 2.318 1.00 13.01 H new ATOM 1124 N ASN A 71 7.731 -7.803 6.121 1.00 71.44 N ATOM 1125 CA ASN A 71 7.171 -8.495 7.276 1.00 3.23 C ATOM 1126 C ASN A 71 6.578 -7.501 8.270 1.00 12.20 C ATOM 1127 O ASN A 71 5.504 -7.729 8.827 1.00 11.33 O ATOM 1128 CB ASN A 71 8.248 -9.338 7.963 1.00 73.23 C ATOM 1129 CG ASN A 71 7.662 -10.336 8.943 1.00 63.31 C ATOM 1130 OD1 ASN A 71 6.453 -10.364 9.170 1.00 13.54 O ATOM 1131 ND2 ASN A 71 8.521 -11.163 9.529 1.00 52.20 N ATOM 0 H ASN A 71 8.733 -7.940 5.992 1.00 71.44 H new ATOM 0 HA ASN A 71 6.374 -9.151 6.925 1.00 3.23 H new ATOM 0 HB2 ASN A 71 8.826 -9.871 7.208 1.00 73.23 H new ATOM 0 HB3 ASN A 71 8.940 -8.680 8.488 1.00 73.23 H new ATOM 0 HD21 ASN A 71 8.186 -11.857 10.197 1.00 52.20 H new ATOM 0 HD22 ASN A 71 9.516 -11.104 9.311 1.00 52.20 H new ATOM 1138 N LYS A 72 7.284 -6.396 8.487 1.00 22.51 N ATOM 1139 CA LYS A 72 6.828 -5.365 9.412 1.00 61.33 C ATOM 1140 C LYS A 72 5.541 -4.718 8.912 1.00 15.33 C ATOM 1141 O LYS A 72 4.567 -4.594 9.656 1.00 60.33 O ATOM 1142 CB LYS A 72 7.911 -4.299 9.593 1.00 32.11 C ATOM 1143 CG LYS A 72 7.913 -3.663 10.972 1.00 13.33 C ATOM 1144 CD LYS A 72 6.562 -3.054 11.307 1.00 15.33 C ATOM 1145 CE LYS A 72 6.616 -2.252 12.599 1.00 43.24 C ATOM 1146 NZ LYS A 72 7.211 -3.038 13.715 1.00 75.11 N ATOM 0 H LYS A 72 8.175 -6.192 8.034 1.00 22.51 H new ATOM 0 HA LYS A 72 6.627 -5.837 10.374 1.00 61.33 H new ATOM 0 HB2 LYS A 72 8.886 -4.749 9.408 1.00 32.11 H new ATOM 0 HB3 LYS A 72 7.772 -3.520 8.843 1.00 32.11 H new ATOM 0 HG2 LYS A 72 8.170 -4.414 11.719 1.00 13.33 H new ATOM 0 HG3 LYS A 72 8.682 -2.892 11.017 1.00 13.33 H new ATOM 0 HD2 LYS A 72 6.240 -2.408 10.490 1.00 15.33 H new ATOM 0 HD3 LYS A 72 5.818 -3.845 11.400 1.00 15.33 H new ATOM 0 HE2 LYS A 72 7.201 -1.346 12.440 1.00 43.24 H new ATOM 0 HE3 LYS A 72 5.609 -1.937 12.873 1.00 43.24 H new ATOM 0 HZ1 LYS A 72 7.047 -2.542 14.615 1.00 75.11 H new ATOM 0 HZ2 LYS A 72 6.768 -3.978 13.752 1.00 75.11 H new ATOM 0 HZ3 LYS A 72 8.234 -3.143 13.559 1.00 75.11 H new ATOM 1160 N VAL A 73 5.542 -4.307 7.648 1.00 13.31 N ATOM 1161 CA VAL A 73 4.373 -3.674 7.049 1.00 72.22 C ATOM 1162 C VAL A 73 3.134 -4.549 7.206 1.00 52.53 C ATOM 1163 O VAL A 73 2.007 -4.053 7.207 1.00 74.31 O ATOM 1164 CB VAL A 73 4.597 -3.384 5.553 1.00 72.12 C ATOM 1165 CG1 VAL A 73 3.284 -3.017 4.878 1.00 42.34 C ATOM 1166 CG2 VAL A 73 5.626 -2.278 5.373 1.00 30.42 C ATOM 0 H VAL A 73 6.339 -4.401 7.019 1.00 13.31 H new ATOM 0 HA VAL A 73 4.218 -2.732 7.575 1.00 72.22 H new ATOM 0 HB VAL A 73 4.982 -4.287 5.079 1.00 72.12 H new ATOM 0 HG11 VAL A 73 3.462 -2.815 3.822 1.00 42.34 H new ATOM 0 HG12 VAL A 73 2.581 -3.844 4.976 1.00 42.34 H new ATOM 0 HG13 VAL A 73 2.867 -2.128 5.352 1.00 42.34 H new ATOM 0 HG21 VAL A 73 5.772 -2.086 4.310 1.00 30.42 H new ATOM 0 HG22 VAL A 73 5.273 -1.369 5.861 1.00 30.42 H new ATOM 0 HG23 VAL A 73 6.572 -2.585 5.819 1.00 30.42 H new ATOM 1176 N LYS A 74 3.350 -5.853 7.339 1.00 51.23 N ATOM 1177 CA LYS A 74 2.252 -6.798 7.498 1.00 34.45 C ATOM 1178 C LYS A 74 1.503 -6.547 8.803 1.00 32.24 C ATOM 1179 O LYS A 74 0.416 -7.083 9.019 1.00 55.32 O ATOM 1180 CB LYS A 74 2.780 -8.235 7.469 1.00 15.54 C ATOM 1181 CG LYS A 74 3.518 -8.585 6.189 1.00 22.24 C ATOM 1182 CD LYS A 74 3.084 -9.937 5.648 1.00 43.14 C ATOM 1183 CE LYS A 74 2.044 -9.789 4.548 1.00 42.33 C ATOM 1184 NZ LYS A 74 1.753 -11.088 3.881 1.00 33.23 N ATOM 0 H LYS A 74 4.277 -6.280 7.340 1.00 51.23 H new ATOM 0 HA LYS A 74 1.560 -6.655 6.668 1.00 34.45 H new ATOM 0 HB2 LYS A 74 3.449 -8.385 8.317 1.00 15.54 H new ATOM 0 HB3 LYS A 74 1.944 -8.923 7.597 1.00 15.54 H new ATOM 0 HG2 LYS A 74 3.333 -7.816 5.439 1.00 22.24 H new ATOM 0 HG3 LYS A 74 4.591 -8.595 6.378 1.00 22.24 H new ATOM 0 HD2 LYS A 74 3.952 -10.471 5.260 1.00 43.14 H new ATOM 0 HD3 LYS A 74 2.675 -10.540 6.458 1.00 43.14 H new ATOM 0 HE2 LYS A 74 1.124 -9.383 4.970 1.00 42.33 H new ATOM 0 HE3 LYS A 74 2.398 -9.072 3.807 1.00 42.33 H new ATOM 0 HZ1 LYS A 74 0.958 -10.969 3.221 1.00 33.23 H new ATOM 0 HZ2 LYS A 74 2.593 -11.405 3.357 1.00 33.23 H new ATOM 0 HZ3 LYS A 74 1.504 -11.799 4.598 1.00 33.23 H new ATOM 1198 N TRP A 75 2.091 -5.729 9.669 1.00 34.41 N ATOM 1199 CA TRP A 75 1.477 -5.406 10.953 1.00 64.45 C ATOM 1200 C TRP A 75 0.231 -4.549 10.760 1.00 23.21 C ATOM 1201 O TRP A 75 -0.623 -4.472 11.644 1.00 43.54 O ATOM 1202 CB TRP A 75 2.479 -4.678 11.851 1.00 72.34 C ATOM 1203 CG TRP A 75 2.638 -3.228 11.508 1.00 1.25 C ATOM 1204 CD1 TRP A 75 2.685 -2.681 10.258 1.00 60.01 C ATOM 1205 CD2 TRP A 75 2.774 -2.140 12.429 1.00 35.05 C ATOM 1206 NE1 TRP A 75 2.841 -1.319 10.346 1.00 4.30 N ATOM 1207 CE2 TRP A 75 2.898 -0.962 11.667 1.00 15.13 C ATOM 1208 CE3 TRP A 75 2.800 -2.046 13.823 1.00 30.15 C ATOM 1209 CZ2 TRP A 75 3.047 0.292 12.254 1.00 32.23 C ATOM 1210 CZ3 TRP A 75 2.948 -0.801 14.405 1.00 65.25 C ATOM 1211 CH2 TRP A 75 3.069 0.354 13.621 1.00 5.31 C ATOM 0 H TRP A 75 2.991 -5.278 9.506 1.00 34.41 H new ATOM 0 HA TRP A 75 1.182 -6.339 11.432 1.00 64.45 H new ATOM 0 HB2 TRP A 75 2.157 -4.766 12.889 1.00 72.34 H new ATOM 0 HB3 TRP A 75 3.448 -5.170 11.776 1.00 72.34 H new ATOM 0 HD1 TRP A 75 2.610 -3.237 9.335 1.00 60.01 H new ATOM 0 HE1 TRP A 75 2.904 -0.677 9.556 1.00 4.30 H new ATOM 0 HE3 TRP A 75 2.706 -2.931 14.435 1.00 30.15 H new ATOM 0 HZ2 TRP A 75 3.142 1.184 11.652 1.00 32.23 H new ATOM 0 HZ3 TRP A 75 2.971 -0.717 15.481 1.00 65.25 H new ATOM 0 HH2 TRP A 75 3.182 1.313 14.105 1.00 5.31 H new ATOM 1222 N TYR A 76 0.133 -3.908 9.601 1.00 3.51 N ATOM 1223 CA TYR A 76 -1.008 -3.054 9.294 1.00 13.24 C ATOM 1224 C TYR A 76 -1.841 -3.644 8.161 1.00 72.52 C ATOM 1225 O TYR A 76 -3.060 -3.778 8.274 1.00 15.23 O ATOM 1226 CB TYR A 76 -0.534 -1.650 8.916 1.00 55.41 C ATOM 1227 CG TYR A 76 -0.699 -0.635 10.025 1.00 31.53 C ATOM 1228 CD1 TYR A 76 -1.846 -0.614 10.809 1.00 0.12 C ATOM 1229 CD2 TYR A 76 0.293 0.301 10.290 1.00 20.41 C ATOM 1230 CE1 TYR A 76 -2.001 0.311 11.823 1.00 3.32 C ATOM 1231 CE2 TYR A 76 0.147 1.229 11.303 1.00 25.31 C ATOM 1232 CZ TYR A 76 -1.001 1.230 12.066 1.00 13.34 C ATOM 1233 OH TYR A 76 -1.151 2.153 13.077 1.00 71.34 O ATOM 0 H TYR A 76 0.830 -3.964 8.858 1.00 3.51 H new ATOM 0 HA TYR A 76 -1.633 -2.992 10.185 1.00 13.24 H new ATOM 0 HB2 TYR A 76 0.517 -1.695 8.630 1.00 55.41 H new ATOM 0 HB3 TYR A 76 -1.088 -1.312 8.040 1.00 55.41 H new ATOM 0 HD1 TYR A 76 -2.630 -1.333 10.622 1.00 0.12 H new ATOM 0 HD2 TYR A 76 1.194 0.303 9.694 1.00 20.41 H new ATOM 0 HE1 TYR A 76 -2.900 0.315 12.422 1.00 3.32 H new ATOM 0 HE2 TYR A 76 0.928 1.950 11.496 1.00 25.31 H new ATOM 0 HH TYR A 76 -0.283 2.562 13.278 1.00 71.34 H new ATOM 1243 N LEU A 77 -1.174 -3.998 7.068 1.00 52.55 N ATOM 1244 CA LEU A 77 -1.851 -4.575 5.912 1.00 70.35 C ATOM 1245 C LEU A 77 -2.280 -6.012 6.193 1.00 11.44 C ATOM 1246 O LEU A 77 -3.049 -6.601 5.435 1.00 11.31 O ATOM 1247 CB LEU A 77 -0.935 -4.535 4.687 1.00 31.51 C ATOM 1248 CG LEU A 77 -0.610 -3.146 4.137 1.00 25.32 C ATOM 1249 CD1 LEU A 77 0.350 -3.249 2.962 1.00 51.13 C ATOM 1250 CD2 LEU A 77 -1.884 -2.423 3.726 1.00 21.33 C ATOM 0 H LEU A 77 -0.165 -3.896 6.958 1.00 52.55 H new ATOM 0 HA LEU A 77 -2.743 -3.982 5.711 1.00 70.35 H new ATOM 0 HB2 LEU A 77 0.001 -5.031 4.942 1.00 31.51 H new ATOM 0 HB3 LEU A 77 -1.399 -5.119 3.892 1.00 31.51 H new ATOM 0 HG LEU A 77 -0.127 -2.568 4.925 1.00 25.32 H new ATOM 0 HD11 LEU A 77 0.570 -2.251 2.583 1.00 51.13 H new ATOM 0 HD12 LEU A 77 1.275 -3.725 3.288 1.00 51.13 H new ATOM 0 HD13 LEU A 77 -0.106 -3.845 2.171 1.00 51.13 H new ATOM 0 HD21 LEU A 77 -1.633 -1.436 3.337 1.00 21.33 H new ATOM 0 HD22 LEU A 77 -2.396 -2.998 2.954 1.00 21.33 H new ATOM 0 HD23 LEU A 77 -2.537 -2.316 4.592 1.00 21.33 H new ATOM 1262 N GLY A 78 -1.778 -6.569 7.291 1.00 34.24 N ATOM 1263 CA GLY A 78 -2.123 -7.931 7.655 1.00 23.23 C ATOM 1264 C GLY A 78 -1.548 -8.951 6.693 1.00 71.44 C ATOM 1265 O GLY A 78 -1.282 -8.639 5.533 1.00 41.14 O ATOM 0 H GLY A 78 -1.139 -6.102 7.934 1.00 34.24 H new ATOM 0 HA2 GLY A 78 -1.758 -8.139 8.661 1.00 23.23 H new ATOM 0 HA3 GLY A 78 -3.208 -8.033 7.682 1.00 23.23 H new ATOM 1269 N ALA A 79 -1.355 -10.175 7.175 1.00 2.40 N ATOM 1270 CA ALA A 79 -0.808 -11.244 6.349 1.00 53.01 C ATOM 1271 C ALA A 79 -1.854 -11.772 5.372 1.00 23.14 C ATOM 1272 O ALA A 79 -1.517 -12.269 4.298 1.00 75.45 O ATOM 1273 CB ALA A 79 -0.284 -12.372 7.225 1.00 70.10 C ATOM 0 H ALA A 79 -1.570 -10.450 8.133 1.00 2.40 H new ATOM 0 HA ALA A 79 0.019 -10.835 5.769 1.00 53.01 H new ATOM 0 HB1 ALA A 79 0.122 -13.164 6.595 1.00 70.10 H new ATOM 0 HB2 ALA A 79 0.500 -11.991 7.879 1.00 70.10 H new ATOM 0 HB3 ALA A 79 -1.098 -12.771 7.830 1.00 70.10 H new ATOM 1279 N ARG A 80 -3.122 -11.661 5.753 1.00 31.55 N ATOM 1280 CA ARG A 80 -4.216 -12.130 4.912 1.00 54.13 C ATOM 1281 C ARG A 80 -4.125 -11.525 3.514 1.00 44.30 C ATOM 1282 O ARG A 80 -4.341 -12.211 2.514 1.00 12.23 O ATOM 1283 CB ARG A 80 -5.563 -11.776 5.545 1.00 10.51 C ATOM 1284 CG ARG A 80 -5.718 -12.282 6.970 1.00 71.03 C ATOM 1285 CD ARG A 80 -6.948 -13.164 7.117 1.00 55.43 C ATOM 1286 NE ARG A 80 -8.171 -12.467 6.724 1.00 23.41 N ATOM 1287 CZ ARG A 80 -9.348 -13.068 6.590 1.00 61.10 C ATOM 1288 NH1 ARG A 80 -9.461 -14.370 6.816 1.00 14.52 N ATOM 1289 NH2 ARG A 80 -10.415 -12.366 6.229 1.00 21.53 N ATOM 0 H ARG A 80 -3.417 -11.250 6.639 1.00 31.55 H new ATOM 0 HA ARG A 80 -4.136 -13.214 4.827 1.00 54.13 H new ATOM 0 HB2 ARG A 80 -5.685 -10.693 5.538 1.00 10.51 H new ATOM 0 HB3 ARG A 80 -6.363 -12.191 4.932 1.00 10.51 H new ATOM 0 HG2 ARG A 80 -4.829 -12.844 7.256 1.00 71.03 H new ATOM 0 HG3 ARG A 80 -5.793 -11.435 7.652 1.00 71.03 H new ATOM 0 HD2 ARG A 80 -6.828 -14.058 6.506 1.00 55.43 H new ATOM 0 HD3 ARG A 80 -7.036 -13.495 8.152 1.00 55.43 H new ATOM 0 HE ARG A 80 -8.118 -11.465 6.543 1.00 23.41 H new ATOM 0 HH11 ARG A 80 -8.643 -14.912 7.093 1.00 14.52 H new ATOM 0 HH12 ARG A 80 -10.366 -14.829 6.712 1.00 14.52 H new ATOM 0 HH21 ARG A 80 -10.331 -11.365 6.054 1.00 21.53 H new ATOM 0 HH22 ARG A 80 -11.319 -12.828 6.126 1.00 21.53 H new ATOM 1303 N CYS A 81 -3.803 -10.237 3.452 1.00 31.45 N ATOM 1304 CA CYS A 81 -3.684 -9.539 2.177 1.00 20.13 C ATOM 1305 C CYS A 81 -2.248 -9.585 1.664 1.00 34.33 C ATOM 1306 O CYS A 81 -1.300 -9.373 2.421 1.00 73.10 O ATOM 1307 CB CYS A 81 -4.140 -8.087 2.323 1.00 1.41 C ATOM 1308 SG CYS A 81 -5.707 -7.890 3.203 1.00 0.43 S ATOM 0 H CYS A 81 -3.620 -9.656 4.270 1.00 31.45 H new ATOM 0 HA CYS A 81 -4.325 -10.043 1.454 1.00 20.13 H new ATOM 0 HB2 CYS A 81 -3.367 -7.526 2.849 1.00 1.41 H new ATOM 0 HB3 CYS A 81 -4.235 -7.646 1.331 1.00 1.41 H new ATOM 0 HG CYS A 81 -6.007 -6.627 3.278 1.00 0.43 H new ATOM 1314 N HIS A 82 -2.095 -9.866 0.374 1.00 53.51 N ATOM 1315 CA HIS A 82 -0.775 -9.941 -0.241 1.00 3.23 C ATOM 1316 C HIS A 82 -0.175 -8.548 -0.411 1.00 65.51 C ATOM 1317 O HIS A 82 -0.834 -7.634 -0.906 1.00 75.20 O ATOM 1318 CB HIS A 82 -0.859 -10.642 -1.597 1.00 12.02 C ATOM 1319 CG HIS A 82 0.464 -10.777 -2.285 1.00 3.12 C ATOM 1320 ND1 HIS A 82 1.269 -9.845 -2.846 1.00 13.12 N flip ATOM 1321 CD2 HIS A 82 1.103 -11.987 -2.458 1.00 44.21 C flip ATOM 1322 CE1 HIS A 82 2.369 -10.502 -3.342 1.00 50.01 C flip ATOM 1323 NE2 HIS A 82 2.244 -11.793 -3.094 1.00 12.43 N flip ATOM 0 H HIS A 82 -2.869 -10.046 -0.266 1.00 53.51 H new ATOM 0 HA HIS A 82 -0.127 -10.519 0.418 1.00 3.23 H new ATOM 0 HB2 HIS A 82 -1.290 -11.634 -1.458 1.00 12.02 H new ATOM 0 HB3 HIS A 82 -1.540 -10.087 -2.242 1.00 12.02 H new ATOM 0 HD2 HIS A 82 0.729 -12.944 -2.125 1.00 44.21 H new ATOM 0 HE1 HIS A 82 3.201 -10.038 -3.852 1.00 50.01 H new ATOM 0 HE2 HIS A 82 2.915 -12.517 -3.350 1.00 12.43 H new ATOM 1331 N ILE A 83 1.079 -8.395 0.002 1.00 32.14 N ATOM 1332 CA ILE A 83 1.767 -7.115 -0.105 1.00 51.41 C ATOM 1333 C ILE A 83 2.905 -7.186 -1.117 1.00 43.51 C ATOM 1334 O ILE A 83 3.596 -8.199 -1.218 1.00 4.41 O ATOM 1335 CB ILE A 83 2.331 -6.663 1.255 1.00 43.12 C ATOM 1336 CG1 ILE A 83 1.372 -7.048 2.383 1.00 24.41 C ATOM 1337 CG2 ILE A 83 2.580 -5.162 1.253 1.00 15.10 C ATOM 1338 CD1 ILE A 83 1.823 -6.575 3.747 1.00 0.12 C ATOM 0 H ILE A 83 1.639 -9.142 0.414 1.00 32.14 H new ATOM 0 HA ILE A 83 1.029 -6.387 -0.442 1.00 51.41 H new ATOM 0 HB ILE A 83 3.282 -7.169 1.423 1.00 43.12 H new ATOM 0 HG12 ILE A 83 0.388 -6.631 2.170 1.00 24.41 H new ATOM 0 HG13 ILE A 83 1.262 -8.132 2.401 1.00 24.41 H new ATOM 0 HG21 ILE A 83 2.978 -4.858 2.221 1.00 15.10 H new ATOM 0 HG22 ILE A 83 3.297 -4.913 0.471 1.00 15.10 H new ATOM 0 HG23 ILE A 83 1.643 -4.638 1.066 1.00 15.10 H new ATOM 0 HD11 ILE A 83 1.095 -6.883 4.498 1.00 0.12 H new ATOM 0 HD12 ILE A 83 2.794 -7.012 3.981 1.00 0.12 H new ATOM 0 HD13 ILE A 83 1.905 -5.488 3.746 1.00 0.12 H new ATOM 1350 N GLU A 84 3.095 -6.102 -1.863 1.00 50.23 N ATOM 1351 CA GLU A 84 4.151 -6.042 -2.867 1.00 50.51 C ATOM 1352 C GLU A 84 4.662 -4.613 -3.034 1.00 22.42 C ATOM 1353 O GLU A 84 4.027 -3.658 -2.588 1.00 54.10 O ATOM 1354 CB GLU A 84 3.641 -6.572 -4.209 1.00 30.24 C ATOM 1355 CG GLU A 84 4.546 -7.622 -4.832 1.00 11.33 C ATOM 1356 CD GLU A 84 3.959 -8.223 -6.094 1.00 41.31 C ATOM 1357 OE1 GLU A 84 2.720 -8.359 -6.167 1.00 0.51 O ATOM 1358 OE2 GLU A 84 4.740 -8.557 -7.010 1.00 20.03 O ATOM 0 H GLU A 84 2.532 -5.254 -1.791 1.00 50.23 H new ATOM 0 HA GLU A 84 4.976 -6.668 -2.527 1.00 50.51 H new ATOM 0 HB2 GLU A 84 2.648 -6.998 -4.068 1.00 30.24 H new ATOM 0 HB3 GLU A 84 3.535 -5.738 -4.903 1.00 30.24 H new ATOM 0 HG2 GLU A 84 5.512 -7.173 -5.063 1.00 11.33 H new ATOM 0 HG3 GLU A 84 4.729 -8.415 -4.107 1.00 11.33 H new ATOM 1365 N LYS A 85 5.816 -4.476 -3.679 1.00 12.14 N ATOM 1366 CA LYS A 85 6.414 -3.166 -3.906 1.00 43.10 C ATOM 1367 C LYS A 85 5.792 -2.487 -5.122 1.00 61.11 C ATOM 1368 O LYS A 85 5.646 -3.100 -6.180 1.00 5.55 O ATOM 1369 CB LYS A 85 7.926 -3.300 -4.102 1.00 22.14 C ATOM 1370 CG LYS A 85 8.595 -4.199 -3.076 1.00 73.21 C ATOM 1371 CD LYS A 85 10.109 -4.103 -3.153 1.00 62.44 C ATOM 1372 CE LYS A 85 10.759 -5.476 -3.071 1.00 44.04 C ATOM 1373 NZ LYS A 85 10.552 -6.263 -4.318 1.00 72.41 N ATOM 0 H LYS A 85 6.355 -5.256 -4.054 1.00 12.14 H new ATOM 0 HA LYS A 85 6.220 -2.549 -3.028 1.00 43.10 H new ATOM 0 HB2 LYS A 85 8.121 -3.693 -5.100 1.00 22.14 H new ATOM 0 HB3 LYS A 85 8.379 -2.310 -4.056 1.00 22.14 H new ATOM 0 HG2 LYS A 85 8.262 -3.921 -2.076 1.00 73.21 H new ATOM 0 HG3 LYS A 85 8.286 -5.232 -3.239 1.00 73.21 H new ATOM 0 HD2 LYS A 85 10.397 -3.618 -4.086 1.00 62.44 H new ATOM 0 HD3 LYS A 85 10.477 -3.476 -2.341 1.00 62.44 H new ATOM 0 HE2 LYS A 85 11.827 -5.362 -2.887 1.00 44.04 H new ATOM 0 HE3 LYS A 85 10.346 -6.023 -2.223 1.00 44.04 H new ATOM 0 HZ1 LYS A 85 11.171 -7.099 -4.308 1.00 72.41 H new ATOM 0 HZ2 LYS A 85 9.559 -6.568 -4.375 1.00 72.41 H new ATOM 0 HZ3 LYS A 85 10.781 -5.673 -5.143 1.00 72.41 H new ATOM 1387 N ALA A 86 5.428 -1.219 -4.965 1.00 2.35 N ATOM 1388 CA ALA A 86 4.825 -0.456 -6.051 1.00 23.33 C ATOM 1389 C ALA A 86 5.893 0.165 -6.944 1.00 44.40 C ATOM 1390 O ALA A 86 7.037 0.349 -6.527 1.00 22.43 O ATOM 1391 CB ALA A 86 3.908 0.622 -5.493 1.00 71.20 C ATOM 0 H ALA A 86 5.540 -0.698 -4.095 1.00 2.35 H new ATOM 0 HA ALA A 86 4.234 -1.141 -6.659 1.00 23.33 H new ATOM 0 HB1 ALA A 86 3.465 1.184 -6.315 1.00 71.20 H new ATOM 0 HB2 ALA A 86 3.118 0.158 -4.903 1.00 71.20 H new ATOM 0 HB3 ALA A 86 4.484 1.298 -4.861 1.00 71.20 H new ATOM 1397 N LYS A 87 5.514 0.488 -8.176 1.00 33.32 N ATOM 1398 CA LYS A 87 6.438 1.090 -9.129 1.00 62.42 C ATOM 1399 C LYS A 87 5.744 2.170 -9.952 1.00 41.03 C ATOM 1400 O LYS A 87 4.577 2.033 -10.316 1.00 13.24 O ATOM 1401 CB LYS A 87 7.015 0.018 -10.057 1.00 43.33 C ATOM 1402 CG LYS A 87 5.958 -0.855 -10.710 1.00 14.21 C ATOM 1403 CD LYS A 87 6.035 -0.785 -12.226 1.00 32.21 C ATOM 1404 CE LYS A 87 4.946 -1.623 -12.878 1.00 54.44 C ATOM 1405 NZ LYS A 87 5.303 -2.010 -14.271 1.00 42.22 N ATOM 0 H LYS A 87 4.572 0.342 -8.538 1.00 33.32 H new ATOM 0 HA LYS A 87 7.250 1.552 -8.568 1.00 62.42 H new ATOM 0 HB2 LYS A 87 7.605 0.502 -10.835 1.00 43.33 H new ATOM 0 HB3 LYS A 87 7.696 -0.615 -9.488 1.00 43.33 H new ATOM 0 HG2 LYS A 87 6.087 -1.888 -10.386 1.00 14.21 H new ATOM 0 HG3 LYS A 87 4.969 -0.538 -10.380 1.00 14.21 H new ATOM 0 HD2 LYS A 87 5.940 0.252 -12.549 1.00 32.21 H new ATOM 0 HD3 LYS A 87 7.013 -1.134 -12.558 1.00 32.21 H new ATOM 0 HE2 LYS A 87 4.774 -2.521 -12.284 1.00 54.44 H new ATOM 0 HE3 LYS A 87 4.011 -1.062 -12.885 1.00 54.44 H new ATOM 0 HZ1 LYS A 87 4.536 -2.580 -14.680 1.00 42.22 H new ATOM 0 HZ2 LYS A 87 5.442 -1.154 -14.844 1.00 42.22 H new ATOM 0 HZ3 LYS A 87 6.181 -2.567 -14.262 1.00 42.22 H new ATOM 1419 N GLY A 88 6.471 3.244 -10.244 1.00 43.24 N ATOM 1420 CA GLY A 88 5.909 4.331 -11.024 1.00 12.42 C ATOM 1421 C GLY A 88 5.792 5.616 -10.227 1.00 72.24 C ATOM 1422 O GLY A 88 6.003 5.625 -9.014 1.00 50.11 O ATOM 0 H GLY A 88 7.439 3.381 -9.954 1.00 43.24 H new ATOM 0 HA2 GLY A 88 6.533 4.506 -11.900 1.00 12.42 H new ATOM 0 HA3 GLY A 88 4.923 4.041 -11.388 1.00 12.42 H new ATOM 1426 N THR A 89 5.456 6.706 -10.911 1.00 32.33 N ATOM 1427 CA THR A 89 5.314 8.002 -10.260 1.00 41.13 C ATOM 1428 C THR A 89 4.005 8.088 -9.484 1.00 73.15 C ATOM 1429 O THR A 89 3.176 7.179 -9.544 1.00 3.02 O ATOM 1430 CB THR A 89 5.368 9.153 -11.283 1.00 71.30 C ATOM 1431 OG1 THR A 89 4.145 9.205 -12.026 1.00 61.04 O ATOM 1432 CG2 THR A 89 6.540 8.975 -12.237 1.00 33.34 C ATOM 0 H THR A 89 5.277 6.716 -11.915 1.00 32.33 H new ATOM 0 HA THR A 89 6.150 8.101 -9.568 1.00 41.13 H new ATOM 0 HB THR A 89 5.502 10.088 -10.739 1.00 71.30 H new ATOM 0 HG1 THR A 89 4.186 9.940 -12.673 1.00 61.04 H new ATOM 0 HG21 THR A 89 6.557 9.799 -12.950 1.00 33.34 H new ATOM 0 HG22 THR A 89 7.472 8.965 -11.671 1.00 33.34 H new ATOM 0 HG23 THR A 89 6.432 8.033 -12.775 1.00 33.34 H new ATOM 1440 N ASP A 90 3.824 9.185 -8.758 1.00 53.21 N ATOM 1441 CA ASP A 90 2.613 9.390 -7.971 1.00 41.43 C ATOM 1442 C ASP A 90 1.369 9.255 -8.843 1.00 72.34 C ATOM 1443 O ASP A 90 0.369 8.671 -8.427 1.00 13.13 O ATOM 1444 CB ASP A 90 2.638 10.768 -7.308 1.00 10.15 C ATOM 1445 CG ASP A 90 2.592 11.898 -8.317 1.00 51.11 C ATOM 1446 OD1 ASP A 90 3.542 12.017 -9.119 1.00 71.44 O ATOM 1447 OD2 ASP A 90 1.605 12.664 -8.306 1.00 25.54 O ATOM 0 H ASP A 90 4.500 9.946 -8.698 1.00 53.21 H new ATOM 0 HA ASP A 90 2.578 8.623 -7.197 1.00 41.43 H new ATOM 0 HB2 ASP A 90 1.790 10.857 -6.629 1.00 10.15 H new ATOM 0 HB3 ASP A 90 3.541 10.861 -6.704 1.00 10.15 H new ATOM 1452 N GLN A 91 1.439 9.798 -10.054 1.00 52.42 N ATOM 1453 CA GLN A 91 0.317 9.739 -10.984 1.00 11.13 C ATOM 1454 C GLN A 91 0.106 8.317 -11.492 1.00 60.14 C ATOM 1455 O GLN A 91 -1.027 7.886 -11.705 1.00 41.25 O ATOM 1456 CB GLN A 91 0.553 10.685 -12.162 1.00 42.22 C ATOM 1457 CG GLN A 91 -0.724 11.289 -12.723 1.00 11.30 C ATOM 1458 CD GLN A 91 -1.314 12.352 -11.817 1.00 44.42 C ATOM 1459 OE1 GLN A 91 -0.586 13.103 -11.166 1.00 60.13 O ATOM 1460 NE2 GLN A 91 -2.639 12.423 -11.771 1.00 22.44 N ATOM 0 H GLN A 91 2.260 10.284 -10.414 1.00 52.42 H new ATOM 0 HA GLN A 91 -0.581 10.052 -10.451 1.00 11.13 H new ATOM 0 HB2 GLN A 91 1.216 11.489 -11.844 1.00 42.22 H new ATOM 0 HB3 GLN A 91 1.067 10.143 -12.955 1.00 42.22 H new ATOM 0 HG2 GLN A 91 -0.517 11.724 -13.700 1.00 11.30 H new ATOM 0 HG3 GLN A 91 -1.459 10.498 -12.876 1.00 11.30 H new ATOM 0 HE21 GLN A 91 -3.204 11.781 -12.327 1.00 22.44 H new ATOM 0 HE22 GLN A 91 -3.092 13.120 -11.180 1.00 22.44 H new ATOM 1469 N GLN A 92 1.204 7.594 -11.685 1.00 23.40 N ATOM 1470 CA GLN A 92 1.139 6.220 -12.170 1.00 14.11 C ATOM 1471 C GLN A 92 0.403 5.327 -11.176 1.00 64.43 C ATOM 1472 O GLN A 92 -0.391 4.472 -11.566 1.00 13.04 O ATOM 1473 CB GLN A 92 2.547 5.676 -12.418 1.00 12.53 C ATOM 1474 CG GLN A 92 2.911 5.580 -13.890 1.00 61.24 C ATOM 1475 CD GLN A 92 3.591 4.270 -14.239 1.00 14.13 C ATOM 1476 OE1 GLN A 92 2.930 3.278 -14.548 1.00 62.11 O ATOM 1477 NE2 GLN A 92 4.918 4.260 -14.190 1.00 54.15 N ATOM 0 H GLN A 92 2.149 7.936 -11.513 1.00 23.40 H new ATOM 0 HA GLN A 92 0.587 6.219 -13.110 1.00 14.11 H new ATOM 0 HB2 GLN A 92 3.270 6.318 -11.915 1.00 12.53 H new ATOM 0 HB3 GLN A 92 2.630 4.687 -11.966 1.00 12.53 H new ATOM 0 HG2 GLN A 92 2.008 5.688 -14.491 1.00 61.24 H new ATOM 0 HG3 GLN A 92 3.570 6.408 -14.152 1.00 61.24 H new ATOM 0 HE21 GLN A 92 5.425 5.106 -13.929 1.00 54.15 H new ATOM 0 HE22 GLN A 92 5.430 3.407 -14.414 1.00 54.15 H new ATOM 1486 N ASN A 93 0.675 5.530 -9.891 1.00 51.43 N ATOM 1487 CA ASN A 93 0.040 4.742 -8.842 1.00 14.24 C ATOM 1488 C ASN A 93 -1.417 5.156 -8.657 1.00 33.11 C ATOM 1489 O ASN A 93 -2.299 4.311 -8.499 1.00 52.43 O ATOM 1490 CB ASN A 93 0.799 4.904 -7.523 1.00 54.50 C ATOM 1491 CG ASN A 93 2.300 4.795 -7.703 1.00 63.11 C ATOM 1492 OD1 ASN A 93 3.062 5.593 -7.157 1.00 21.35 O ATOM 1493 ND2 ASN A 93 2.733 3.803 -8.473 1.00 51.21 N ATOM 0 H ASN A 93 1.331 6.234 -9.552 1.00 51.43 H new ATOM 0 HA ASN A 93 0.067 3.695 -9.143 1.00 14.24 H new ATOM 0 HB2 ASN A 93 0.558 5.872 -7.085 1.00 54.50 H new ATOM 0 HB3 ASN A 93 0.464 4.143 -6.818 1.00 54.50 H new ATOM 0 HD21 ASN A 93 3.733 3.680 -8.631 1.00 51.21 H new ATOM 0 HD22 ASN A 93 2.065 3.165 -8.906 1.00 51.21 H new ATOM 1500 N LYS A 94 -1.663 6.462 -8.678 1.00 60.50 N ATOM 1501 CA LYS A 94 -3.012 6.989 -8.515 1.00 53.41 C ATOM 1502 C LYS A 94 -3.925 6.506 -9.638 1.00 1.12 C ATOM 1503 O LYS A 94 -5.054 6.084 -9.393 1.00 32.33 O ATOM 1504 CB LYS A 94 -2.984 8.519 -8.489 1.00 50.35 C ATOM 1505 CG LYS A 94 -4.345 9.149 -8.247 1.00 22.25 C ATOM 1506 CD LYS A 94 -4.243 10.366 -7.343 1.00 3.21 C ATOM 1507 CE LYS A 94 -5.574 11.093 -7.235 1.00 52.51 C ATOM 1508 NZ LYS A 94 -5.559 12.120 -6.157 1.00 15.52 N ATOM 0 H LYS A 94 -0.945 7.175 -8.806 1.00 60.50 H new ATOM 0 HA LYS A 94 -3.406 6.622 -7.567 1.00 53.41 H new ATOM 0 HB2 LYS A 94 -2.297 8.848 -7.709 1.00 50.35 H new ATOM 0 HB3 LYS A 94 -2.588 8.883 -9.437 1.00 50.35 H new ATOM 0 HG2 LYS A 94 -4.788 9.439 -9.200 1.00 22.25 H new ATOM 0 HG3 LYS A 94 -5.012 8.414 -7.796 1.00 22.25 H new ATOM 0 HD2 LYS A 94 -3.914 10.057 -6.351 1.00 3.21 H new ATOM 0 HD3 LYS A 94 -3.486 11.047 -7.732 1.00 3.21 H new ATOM 0 HE2 LYS A 94 -5.806 11.570 -8.187 1.00 52.51 H new ATOM 0 HE3 LYS A 94 -6.367 10.372 -7.038 1.00 52.51 H new ATOM 0 HZ1 LYS A 94 -6.484 12.593 -6.115 1.00 15.52 H new ATOM 0 HZ2 LYS A 94 -5.363 11.662 -5.244 1.00 15.52 H new ATOM 0 HZ3 LYS A 94 -4.819 12.823 -6.358 1.00 15.52 H new ATOM 1522 N GLU A 95 -3.426 6.570 -10.869 1.00 15.34 N ATOM 1523 CA GLU A 95 -4.198 6.138 -12.028 1.00 11.11 C ATOM 1524 C GLU A 95 -4.359 4.621 -12.040 1.00 22.33 C ATOM 1525 O GLU A 95 -5.396 4.099 -12.448 1.00 35.53 O ATOM 1526 CB GLU A 95 -3.521 6.600 -13.320 1.00 52.30 C ATOM 1527 CG GLU A 95 -3.735 8.073 -13.626 1.00 52.11 C ATOM 1528 CD GLU A 95 -4.581 8.295 -14.865 1.00 62.31 C ATOM 1529 OE1 GLU A 95 -5.819 8.167 -14.768 1.00 34.21 O ATOM 1530 OE2 GLU A 95 -4.005 8.595 -15.931 1.00 43.53 O ATOM 0 H GLU A 95 -2.492 6.916 -11.089 1.00 15.34 H new ATOM 0 HA GLU A 95 -5.188 6.590 -11.962 1.00 11.11 H new ATOM 0 HB2 GLU A 95 -2.451 6.404 -13.250 1.00 52.30 H new ATOM 0 HB3 GLU A 95 -3.900 6.006 -14.152 1.00 52.30 H new ATOM 0 HG2 GLU A 95 -4.215 8.551 -12.772 1.00 52.11 H new ATOM 0 HG3 GLU A 95 -2.767 8.557 -13.760 1.00 52.11 H new ATOM 1537 N TYR A 96 -3.325 3.919 -11.590 1.00 25.11 N ATOM 1538 CA TYR A 96 -3.349 2.462 -11.551 1.00 63.51 C ATOM 1539 C TYR A 96 -4.536 1.958 -10.736 1.00 60.11 C ATOM 1540 O TYR A 96 -5.337 1.154 -11.216 1.00 44.41 O ATOM 1541 CB TYR A 96 -2.045 1.925 -10.959 1.00 23.43 C ATOM 1542 CG TYR A 96 -1.941 0.416 -10.990 1.00 50.53 C ATOM 1543 CD1 TYR A 96 -1.401 -0.240 -12.089 1.00 43.22 C ATOM 1544 CD2 TYR A 96 -2.383 -0.352 -9.920 1.00 63.23 C ATOM 1545 CE1 TYR A 96 -1.305 -1.617 -12.122 1.00 60.45 C ATOM 1546 CE2 TYR A 96 -2.290 -1.730 -9.944 1.00 65.42 C ATOM 1547 CZ TYR A 96 -1.750 -2.358 -11.048 1.00 34.33 C ATOM 1548 OH TYR A 96 -1.655 -3.731 -11.076 1.00 54.24 O ATOM 0 H TYR A 96 -2.459 4.336 -11.247 1.00 25.11 H new ATOM 0 HA TYR A 96 -3.453 2.099 -12.573 1.00 63.51 H new ATOM 0 HB2 TYR A 96 -1.205 2.350 -11.508 1.00 23.43 H new ATOM 0 HB3 TYR A 96 -1.957 2.266 -9.927 1.00 23.43 H new ATOM 0 HD1 TYR A 96 -1.050 0.337 -12.932 1.00 43.22 H new ATOM 0 HD2 TYR A 96 -2.806 0.137 -9.055 1.00 63.23 H new ATOM 0 HE1 TYR A 96 -0.883 -2.111 -12.985 1.00 60.45 H new ATOM 0 HE2 TYR A 96 -2.638 -2.313 -9.104 1.00 65.42 H new ATOM 0 HH TYR A 96 -2.012 -4.101 -10.241 1.00 54.24 H new ATOM 1558 N CYS A 97 -4.643 2.436 -9.502 1.00 10.34 N ATOM 1559 CA CYS A 97 -5.732 2.035 -8.618 1.00 12.51 C ATOM 1560 C CYS A 97 -7.080 2.474 -9.182 1.00 65.14 C ATOM 1561 O CYS A 97 -8.085 1.781 -9.026 1.00 64.51 O ATOM 1562 CB CYS A 97 -5.531 2.631 -7.224 1.00 12.41 C ATOM 1563 SG CYS A 97 -3.903 2.305 -6.509 1.00 61.41 S ATOM 0 H CYS A 97 -3.989 3.102 -9.090 1.00 10.34 H new ATOM 0 HA CYS A 97 -5.726 0.947 -8.545 1.00 12.51 H new ATOM 0 HB2 CYS A 97 -5.684 3.709 -7.276 1.00 12.41 H new ATOM 0 HB3 CYS A 97 -6.295 2.233 -6.557 1.00 12.41 H new ATOM 0 HG CYS A 97 -3.005 3.005 -7.137 1.00 61.41 H new ATOM 1569 N SER A 98 -7.093 3.630 -9.838 1.00 2.23 N ATOM 1570 CA SER A 98 -8.318 4.164 -10.421 1.00 0.42 C ATOM 1571 C SER A 98 -8.669 3.432 -11.712 1.00 51.13 C ATOM 1572 O SER A 98 -9.775 3.567 -12.236 1.00 12.30 O ATOM 1573 CB SER A 98 -8.167 5.662 -10.695 1.00 64.22 C ATOM 1574 OG SER A 98 -9.418 6.254 -10.996 1.00 13.31 O ATOM 0 H SER A 98 -6.269 4.215 -9.979 1.00 2.23 H new ATOM 0 HA SER A 98 -9.127 4.013 -9.707 1.00 0.42 H new ATOM 0 HB2 SER A 98 -7.729 6.152 -9.825 1.00 64.22 H new ATOM 0 HB3 SER A 98 -7.479 5.815 -11.527 1.00 64.22 H new ATOM 0 HG SER A 98 -10.010 5.582 -11.394 1.00 13.31 H new ATOM 1580 N LYS A 99 -7.719 2.655 -12.222 1.00 10.34 N ATOM 1581 CA LYS A 99 -7.925 1.899 -13.451 1.00 55.21 C ATOM 1582 C LYS A 99 -9.138 0.982 -13.328 1.00 62.45 C ATOM 1583 O LYS A 99 -9.737 0.593 -14.331 1.00 1.43 O ATOM 1584 CB LYS A 99 -6.680 1.074 -13.782 1.00 43.42 C ATOM 1585 CG LYS A 99 -6.683 0.506 -15.191 1.00 12.02 C ATOM 1586 CD LYS A 99 -5.311 -0.013 -15.586 1.00 42.21 C ATOM 1587 CE LYS A 99 -4.859 -1.145 -14.676 1.00 13.42 C ATOM 1588 NZ LYS A 99 -4.446 -2.348 -15.450 1.00 12.21 N ATOM 0 H LYS A 99 -6.798 2.533 -11.802 1.00 10.34 H new ATOM 0 HA LYS A 99 -8.108 2.608 -14.258 1.00 55.21 H new ATOM 0 HB2 LYS A 99 -5.796 1.698 -13.653 1.00 43.42 H new ATOM 0 HB3 LYS A 99 -6.598 0.254 -13.069 1.00 43.42 H new ATOM 0 HG2 LYS A 99 -7.411 -0.302 -15.257 1.00 12.02 H new ATOM 0 HG3 LYS A 99 -6.998 1.277 -15.894 1.00 12.02 H new ATOM 0 HD2 LYS A 99 -5.337 -0.363 -16.618 1.00 42.21 H new ATOM 0 HD3 LYS A 99 -4.587 0.801 -15.543 1.00 42.21 H new ATOM 0 HE2 LYS A 99 -4.026 -0.806 -14.061 1.00 13.42 H new ATOM 0 HE3 LYS A 99 -5.669 -1.411 -13.997 1.00 13.42 H new ATOM 0 HZ1 LYS A 99 -4.145 -3.097 -14.794 1.00 12.21 H new ATOM 0 HZ2 LYS A 99 -5.248 -2.688 -16.018 1.00 12.21 H new ATOM 0 HZ3 LYS A 99 -3.656 -2.101 -16.080 1.00 12.21 H new ATOM 1602 N GLU A 100 -9.494 0.640 -12.094 1.00 4.21 N ATOM 1603 CA GLU A 100 -10.635 -0.231 -11.842 1.00 72.31 C ATOM 1604 C GLU A 100 -11.948 0.503 -12.099 1.00 43.45 C ATOM 1605 O GLU A 100 -12.984 -0.118 -12.332 1.00 11.53 O ATOM 1606 CB GLU A 100 -10.602 -0.749 -10.403 1.00 21.43 C ATOM 1607 CG GLU A 100 -9.444 -1.692 -10.122 1.00 22.11 C ATOM 1608 CD GLU A 100 -8.989 -1.643 -8.676 1.00 73.41 C ATOM 1609 OE1 GLU A 100 -9.833 -1.855 -7.781 1.00 15.23 O ATOM 1610 OE2 GLU A 100 -7.788 -1.394 -8.441 1.00 14.25 O ATOM 0 H GLU A 100 -9.008 0.953 -11.253 1.00 4.21 H new ATOM 0 HA GLU A 100 -10.571 -1.077 -12.527 1.00 72.31 H new ATOM 0 HB2 GLU A 100 -10.542 0.100 -9.722 1.00 21.43 H new ATOM 0 HB3 GLU A 100 -11.539 -1.264 -10.189 1.00 21.43 H new ATOM 0 HG2 GLU A 100 -9.741 -2.711 -10.371 1.00 22.11 H new ATOM 0 HG3 GLU A 100 -8.607 -1.437 -10.771 1.00 22.11 H new ATOM 1617 N GLY A 101 -11.895 1.831 -12.056 1.00 5.34 N ATOM 1618 CA GLY A 101 -13.085 2.629 -12.285 1.00 3.40 C ATOM 1619 C GLY A 101 -13.842 2.922 -11.005 1.00 1.20 C ATOM 1620 O GLY A 101 -14.768 3.732 -10.995 1.00 44.42 O ATOM 0 H GLY A 101 -11.049 2.368 -11.867 1.00 5.34 H new ATOM 0 HA2 GLY A 101 -12.803 3.569 -12.760 1.00 3.40 H new ATOM 0 HA3 GLY A 101 -13.742 2.105 -12.980 1.00 3.40 H new ATOM 1624 N ASN A 102 -13.449 2.260 -9.922 1.00 22.31 N ATOM 1625 CA ASN A 102 -14.099 2.452 -8.631 1.00 21.34 C ATOM 1626 C ASN A 102 -13.065 2.609 -7.519 1.00 54.44 C ATOM 1627 O ASN A 102 -12.209 1.746 -7.326 1.00 63.30 O ATOM 1628 CB ASN A 102 -15.022 1.271 -8.320 1.00 43.43 C ATOM 1629 CG ASN A 102 -16.208 1.674 -7.466 1.00 54.33 C ATOM 1630 OD1 ASN A 102 -16.698 2.800 -7.556 1.00 55.15 O ATOM 1631 ND2 ASN A 102 -16.676 0.754 -6.631 1.00 61.32 N ATOM 0 H ASN A 102 -12.684 1.586 -9.913 1.00 22.31 H new ATOM 0 HA ASN A 102 -14.692 3.365 -8.684 1.00 21.34 H new ATOM 0 HB2 ASN A 102 -15.381 0.838 -9.254 1.00 43.43 H new ATOM 0 HB3 ASN A 102 -14.454 0.495 -7.806 1.00 43.43 H new ATOM 0 HD21 ASN A 102 -17.473 0.968 -6.031 1.00 61.32 H new ATOM 0 HD22 ASN A 102 -16.239 -0.167 -6.589 1.00 61.32 H new ATOM 1638 N LEU A 103 -13.152 3.717 -6.791 1.00 51.14 N ATOM 1639 CA LEU A 103 -12.225 3.989 -5.698 1.00 71.32 C ATOM 1640 C LEU A 103 -12.871 3.688 -4.349 1.00 64.44 C ATOM 1641 O LEU A 103 -13.974 4.152 -4.059 1.00 50.05 O ATOM 1642 CB LEU A 103 -11.767 5.447 -5.743 1.00 4.44 C ATOM 1643 CG LEU A 103 -11.059 5.890 -7.024 1.00 20.21 C ATOM 1644 CD1 LEU A 103 -10.448 7.271 -6.846 1.00 40.15 C ATOM 1645 CD2 LEU A 103 -9.992 4.880 -7.420 1.00 32.50 C ATOM 0 H LEU A 103 -13.855 4.441 -6.938 1.00 51.14 H new ATOM 0 HA LEU A 103 -11.359 3.339 -5.818 1.00 71.32 H new ATOM 0 HB2 LEU A 103 -12.638 6.085 -5.594 1.00 4.44 H new ATOM 0 HB3 LEU A 103 -11.096 5.622 -4.902 1.00 4.44 H new ATOM 0 HG LEU A 103 -11.797 5.942 -7.825 1.00 20.21 H new ATOM 0 HD11 LEU A 103 -9.949 7.569 -7.768 1.00 40.15 H new ATOM 0 HD12 LEU A 103 -11.234 7.989 -6.610 1.00 40.15 H new ATOM 0 HD13 LEU A 103 -9.723 7.246 -6.032 1.00 40.15 H new ATOM 0 HD21 LEU A 103 -9.499 5.211 -8.334 1.00 32.50 H new ATOM 0 HD22 LEU A 103 -9.256 4.796 -6.620 1.00 32.50 H new ATOM 0 HD23 LEU A 103 -10.456 3.908 -7.590 1.00 32.50 H new ATOM 1657 N LEU A 104 -12.175 2.909 -3.527 1.00 54.44 N ATOM 1658 CA LEU A 104 -12.679 2.548 -2.207 1.00 74.30 C ATOM 1659 C LEU A 104 -12.304 3.604 -1.173 1.00 11.13 C ATOM 1660 O LEU A 104 -13.112 3.963 -0.317 1.00 21.15 O ATOM 1661 CB LEU A 104 -12.128 1.185 -1.784 1.00 45.04 C ATOM 1662 CG LEU A 104 -12.140 0.892 -0.284 1.00 31.12 C ATOM 1663 CD1 LEU A 104 -13.519 1.157 0.300 1.00 30.23 C ATOM 1664 CD2 LEU A 104 -11.713 -0.544 -0.017 1.00 61.23 C ATOM 0 H LEU A 104 -11.261 2.516 -3.752 1.00 54.44 H new ATOM 0 HA LEU A 104 -13.766 2.492 -2.264 1.00 74.30 H new ATOM 0 HB2 LEU A 104 -12.704 0.410 -2.290 1.00 45.04 H new ATOM 0 HB3 LEU A 104 -11.101 1.104 -2.141 1.00 45.04 H new ATOM 0 HG LEU A 104 -11.427 1.558 0.202 1.00 31.12 H new ATOM 0 HD11 LEU A 104 -13.509 0.943 1.369 1.00 30.23 H new ATOM 0 HD12 LEU A 104 -13.787 2.202 0.142 1.00 30.23 H new ATOM 0 HD13 LEU A 104 -14.251 0.516 -0.191 1.00 30.23 H new ATOM 0 HD21 LEU A 104 -11.728 -0.734 1.056 1.00 61.23 H new ATOM 0 HD22 LEU A 104 -12.401 -1.227 -0.516 1.00 61.23 H new ATOM 0 HD23 LEU A 104 -10.704 -0.701 -0.400 1.00 61.23 H new ATOM 1676 N MET A 105 -11.074 4.099 -1.260 1.00 40.50 N ATOM 1677 CA MET A 105 -10.593 5.118 -0.333 1.00 71.24 C ATOM 1678 C MET A 105 -9.714 6.136 -1.053 1.00 24.53 C ATOM 1679 O MET A 105 -8.867 5.771 -1.867 1.00 62.34 O ATOM 1680 CB MET A 105 -9.811 4.469 0.810 1.00 33.33 C ATOM 1681 CG MET A 105 -8.815 5.405 1.474 1.00 43.55 C ATOM 1682 SD MET A 105 -8.622 5.079 3.236 1.00 1.33 S ATOM 1683 CE MET A 105 -7.260 3.917 3.219 1.00 65.35 C ATOM 0 H MET A 105 -10.392 3.812 -1.962 1.00 40.50 H new ATOM 0 HA MET A 105 -11.458 5.638 0.078 1.00 71.24 H new ATOM 0 HB2 MET A 105 -10.514 4.108 1.561 1.00 33.33 H new ATOM 0 HB3 MET A 105 -9.279 3.598 0.427 1.00 33.33 H new ATOM 0 HG2 MET A 105 -7.847 5.307 0.982 1.00 43.55 H new ATOM 0 HG3 MET A 105 -9.141 6.435 1.333 1.00 43.55 H new ATOM 0 HE1 MET A 105 -6.814 3.864 4.212 1.00 65.35 H new ATOM 0 HE2 MET A 105 -7.626 2.931 2.933 1.00 65.35 H new ATOM 0 HE3 MET A 105 -6.509 4.247 2.502 1.00 65.35 H new ATOM 1693 N GLU A 106 -9.921 7.412 -0.746 1.00 12.32 N ATOM 1694 CA GLU A 106 -9.147 8.482 -1.365 1.00 20.40 C ATOM 1695 C GLU A 106 -8.657 9.476 -0.316 1.00 65.32 C ATOM 1696 O GLU A 106 -9.432 10.279 0.204 1.00 72.31 O ATOM 1697 CB GLU A 106 -9.988 9.207 -2.417 1.00 53.21 C ATOM 1698 CG GLU A 106 -9.289 9.359 -3.757 1.00 64.44 C ATOM 1699 CD GLU A 106 -9.870 10.480 -4.596 1.00 13.44 C ATOM 1700 OE1 GLU A 106 -9.627 11.659 -4.260 1.00 21.51 O ATOM 1701 OE2 GLU A 106 -10.568 10.181 -5.586 1.00 75.35 O ATOM 0 H GLU A 106 -10.618 7.730 -0.073 1.00 12.32 H new ATOM 0 HA GLU A 106 -8.279 8.034 -1.850 1.00 20.40 H new ATOM 0 HB2 GLU A 106 -10.920 8.662 -2.563 1.00 53.21 H new ATOM 0 HB3 GLU A 106 -10.252 10.195 -2.041 1.00 53.21 H new ATOM 0 HG2 GLU A 106 -8.229 9.548 -3.590 1.00 64.44 H new ATOM 0 HG3 GLU A 106 -9.363 8.422 -4.309 1.00 64.44 H new ATOM 1708 N CYS A 107 -7.365 9.415 -0.011 1.00 33.04 N ATOM 1709 CA CYS A 107 -6.771 10.308 0.977 1.00 5.52 C ATOM 1710 C CYS A 107 -5.292 10.539 0.682 1.00 71.43 C ATOM 1711 O CYS A 107 -4.736 9.956 -0.248 1.00 73.43 O ATOM 1712 CB CYS A 107 -6.938 9.732 2.384 1.00 73.34 C ATOM 1713 SG CYS A 107 -8.524 10.125 3.158 1.00 21.25 S ATOM 0 H CYS A 107 -6.710 8.757 -0.433 1.00 33.04 H new ATOM 0 HA CYS A 107 -7.289 11.266 0.921 1.00 5.52 H new ATOM 0 HB2 CYS A 107 -6.827 8.649 2.337 1.00 73.34 H new ATOM 0 HB3 CYS A 107 -6.134 10.108 3.017 1.00 73.34 H new ATOM 0 HG CYS A 107 -9.434 10.258 2.239 1.00 21.25 H new ATOM 1719 N GLY A 108 -4.660 11.395 1.479 1.00 34.55 N ATOM 1720 CA GLY A 108 -3.252 11.688 1.286 1.00 15.30 C ATOM 1721 C GLY A 108 -3.009 12.612 0.109 1.00 73.53 C ATOM 1722 O GLY A 108 -3.951 13.042 -0.556 1.00 13.43 O ATOM 0 H GLY A 108 -5.098 11.891 2.255 1.00 34.55 H new ATOM 0 HA2 GLY A 108 -2.851 12.144 2.191 1.00 15.30 H new ATOM 0 HA3 GLY A 108 -2.708 10.756 1.131 1.00 15.30 H new ATOM 1726 N ALA A 109 -1.742 12.917 -0.150 1.00 10.55 N ATOM 1727 CA ALA A 109 -1.378 13.795 -1.255 1.00 0.33 C ATOM 1728 C ALA A 109 -0.681 13.018 -2.366 1.00 42.32 C ATOM 1729 O ALA A 109 -0.148 11.928 -2.155 1.00 54.40 O ATOM 1730 CB ALA A 109 -0.488 14.926 -0.760 1.00 22.42 C ATOM 0 H ALA A 109 -0.950 12.569 0.391 1.00 10.55 H new ATOM 0 HA ALA A 109 -2.294 14.221 -1.665 1.00 0.33 H new ATOM 0 HB1 ALA A 109 -0.224 15.574 -1.596 1.00 22.42 H new ATOM 0 HB2 ALA A 109 -1.021 15.505 -0.006 1.00 22.42 H new ATOM 0 HB3 ALA A 109 0.420 14.510 -0.323 1.00 22.42 H new ATOM 1736 N PRO A 110 -0.683 13.589 -3.580 1.00 11.51 N ATOM 1737 CA PRO A 110 -0.055 12.967 -4.749 1.00 2.01 C ATOM 1738 C PRO A 110 1.467 12.953 -4.650 1.00 71.05 C ATOM 1739 O PRO A 110 2.145 13.778 -5.263 1.00 65.50 O ATOM 1740 CB PRO A 110 -0.507 13.856 -5.910 1.00 73.31 C ATOM 1741 CG PRO A 110 -0.786 15.180 -5.287 1.00 74.13 C ATOM 1742 CD PRO A 110 -1.299 14.887 -3.904 1.00 43.21 C ATOM 0 HA PRO A 110 -0.343 11.921 -4.858 1.00 2.01 H new ATOM 0 HB2 PRO A 110 0.267 13.933 -6.674 1.00 73.31 H new ATOM 0 HB3 PRO A 110 -1.395 13.452 -6.396 1.00 73.31 H new ATOM 0 HG2 PRO A 110 0.116 15.791 -5.247 1.00 74.13 H new ATOM 0 HG3 PRO A 110 -1.522 15.737 -5.867 1.00 74.13 H new ATOM 0 HD2 PRO A 110 -1.005 15.660 -3.194 1.00 43.21 H new ATOM 0 HD3 PRO A 110 -2.387 14.832 -3.882 1.00 43.21 H new ATOM 1750 N ARG A 111 1.997 12.011 -3.877 1.00 15.23 N ATOM 1751 CA ARG A 111 3.438 11.891 -3.698 1.00 24.20 C ATOM 1752 C ARG A 111 3.949 10.571 -4.269 1.00 33.11 C ATOM 1753 O ARG A 111 3.208 9.591 -4.350 1.00 64.14 O ATOM 1754 CB ARG A 111 3.800 11.991 -2.215 1.00 1.10 C ATOM 1755 CG ARG A 111 3.345 10.795 -1.395 1.00 0.12 C ATOM 1756 CD ARG A 111 4.492 10.202 -0.591 1.00 73.34 C ATOM 1757 NE ARG A 111 5.166 9.126 -1.313 1.00 22.34 N ATOM 1758 CZ ARG A 111 6.372 8.669 -0.992 1.00 35.22 C ATOM 1759 NH1 ARG A 111 7.031 9.191 0.033 1.00 41.22 N ATOM 1760 NH2 ARG A 111 6.919 7.687 -1.696 1.00 62.33 N ATOM 0 H ARG A 111 1.449 11.320 -3.365 1.00 15.23 H new ATOM 0 HA ARG A 111 3.915 12.710 -4.237 1.00 24.20 H new ATOM 0 HB2 ARG A 111 4.881 12.096 -2.120 1.00 1.10 H new ATOM 0 HB3 ARG A 111 3.354 12.895 -1.801 1.00 1.10 H new ATOM 0 HG2 ARG A 111 2.545 11.098 -0.720 1.00 0.12 H new ATOM 0 HG3 ARG A 111 2.932 10.034 -2.057 1.00 0.12 H new ATOM 0 HD2 ARG A 111 5.211 10.986 -0.353 1.00 73.34 H new ATOM 0 HD3 ARG A 111 4.112 9.820 0.357 1.00 73.34 H new ATOM 0 HE ARG A 111 4.685 8.702 -2.107 1.00 22.34 H new ATOM 0 HH11 ARG A 111 6.613 9.945 0.577 1.00 41.22 H new ATOM 0 HH12 ARG A 111 7.956 8.838 0.277 1.00 41.22 H new ATOM 0 HH21 ARG A 111 6.414 7.282 -2.484 1.00 62.33 H new ATOM 0 HH22 ARG A 111 7.845 7.337 -1.449 1.00 62.33 H new ATOM 1774 N SER A 112 5.218 10.554 -4.663 1.00 70.11 N ATOM 1775 CA SER A 112 5.826 9.356 -5.230 1.00 42.25 C ATOM 1776 C SER A 112 7.139 9.028 -4.526 1.00 44.25 C ATOM 1777 O SER A 112 7.518 9.688 -3.559 1.00 21.30 O ATOM 1778 CB SER A 112 6.071 9.544 -6.729 1.00 33.30 C ATOM 1779 OG SER A 112 7.423 9.879 -6.987 1.00 2.10 O ATOM 0 H SER A 112 5.845 11.356 -4.600 1.00 70.11 H new ATOM 0 HA SER A 112 5.137 8.524 -5.083 1.00 42.25 H new ATOM 0 HB2 SER A 112 5.812 8.628 -7.261 1.00 33.30 H new ATOM 0 HB3 SER A 112 5.419 10.329 -7.111 1.00 33.30 H new ATOM 0 HG SER A 112 7.554 9.992 -7.952 1.00 2.10 H new ATOM 1785 N GLN A 113 7.828 8.004 -5.020 1.00 45.51 N ATOM 1786 CA GLN A 113 9.099 7.588 -4.438 1.00 71.03 C ATOM 1787 C GLN A 113 10.056 8.769 -4.319 1.00 2.24 C ATOM 1788 O GLN A 113 10.531 9.088 -3.230 1.00 0.44 O ATOM 1789 CB GLN A 113 9.735 6.485 -5.286 1.00 32.31 C ATOM 1790 CG GLN A 113 11.138 6.108 -4.840 1.00 64.21 C ATOM 1791 CD GLN A 113 12.198 6.512 -5.846 1.00 24.04 C ATOM 1792 OE1 GLN A 113 12.021 6.347 -7.053 1.00 34.32 O ATOM 1793 NE2 GLN A 113 13.310 7.046 -5.352 1.00 71.44 N ATOM 0 H GLN A 113 7.528 7.448 -5.821 1.00 45.51 H new ATOM 0 HA GLN A 113 8.903 7.201 -3.438 1.00 71.03 H new ATOM 0 HB2 GLN A 113 9.101 5.599 -5.250 1.00 32.31 H new ATOM 0 HB3 GLN A 113 9.768 6.811 -6.326 1.00 32.31 H new ATOM 0 HG2 GLN A 113 11.351 6.584 -3.883 1.00 64.21 H new ATOM 0 HG3 GLN A 113 11.187 5.031 -4.679 1.00 64.21 H new ATOM 0 HE21 GLN A 113 13.415 7.165 -4.344 1.00 71.44 H new ATOM 0 HE22 GLN A 113 14.059 7.337 -5.980 1.00 71.44 H new ATOM 1802 N GLY A 114 10.336 9.415 -5.447 1.00 32.11 N ATOM 1803 CA GLY A 114 11.236 10.553 -5.447 1.00 13.45 C ATOM 1804 C GLY A 114 12.065 10.637 -6.712 1.00 65.03 C ATOM 1805 O GLY A 114 11.800 9.929 -7.683 1.00 61.31 O ATOM 0 H GLY A 114 9.955 9.170 -6.361 1.00 32.11 H new ATOM 0 HA2 GLY A 114 10.657 11.470 -5.334 1.00 13.45 H new ATOM 0 HA3 GLY A 114 11.900 10.487 -4.585 1.00 13.45 H new ATOM 1809 N GLN A 115 13.071 11.506 -6.702 1.00 62.25 N ATOM 1810 CA GLN A 115 13.940 11.681 -7.860 1.00 64.41 C ATOM 1811 C GLN A 115 15.256 10.932 -7.671 1.00 74.33 C ATOM 1812 O GLN A 115 15.438 10.218 -6.685 1.00 64.44 O ATOM 1813 CB GLN A 115 14.215 13.166 -8.098 1.00 44.41 C ATOM 1814 CG GLN A 115 14.870 13.861 -6.915 1.00 43.01 C ATOM 1815 CD GLN A 115 15.922 14.868 -7.338 1.00 71.53 C ATOM 1816 OE1 GLN A 115 15.640 15.795 -8.098 1.00 22.21 O ATOM 1817 NE2 GLN A 115 17.143 14.690 -6.848 1.00 0.03 N ATOM 0 H GLN A 115 13.304 12.099 -5.906 1.00 62.25 H new ATOM 0 HA GLN A 115 13.430 11.269 -8.731 1.00 64.41 H new ATOM 0 HB2 GLN A 115 14.857 13.272 -8.972 1.00 44.41 H new ATOM 0 HB3 GLN A 115 13.276 13.668 -8.329 1.00 44.41 H new ATOM 0 HG2 GLN A 115 14.105 14.367 -6.326 1.00 43.01 H new ATOM 0 HG3 GLN A 115 15.328 13.113 -6.267 1.00 43.01 H new ATOM 0 HE21 GLN A 115 17.332 13.908 -6.221 1.00 0.03 H new ATOM 0 HE22 GLN A 115 17.892 15.335 -7.098 1.00 0.03 H new ATOM 1826 N ARG A 116 16.168 11.100 -8.623 1.00 21.42 N ATOM 1827 CA ARG A 116 17.466 10.438 -8.562 1.00 11.12 C ATOM 1828 C ARG A 116 18.558 11.421 -8.150 1.00 63.14 C ATOM 1829 O ARG A 116 18.379 12.211 -7.223 1.00 71.23 O ATOM 1830 CB ARG A 116 17.809 9.816 -9.916 1.00 60.45 C ATOM 1831 CG ARG A 116 17.552 8.319 -9.982 1.00 21.14 C ATOM 1832 CD ARG A 116 16.211 8.012 -10.629 1.00 70.43 C ATOM 1833 NE ARG A 116 16.320 7.887 -12.080 1.00 54.43 N ATOM 1834 CZ ARG A 116 15.271 7.844 -12.895 1.00 1.02 C ATOM 1835 NH1 ARG A 116 14.042 7.915 -12.403 1.00 30.12 N ATOM 1836 NH2 ARG A 116 15.451 7.730 -14.204 1.00 41.05 N ATOM 0 H ARG A 116 16.032 11.688 -9.445 1.00 21.42 H new ATOM 0 HA ARG A 116 17.409 9.649 -7.812 1.00 11.12 H new ATOM 0 HB2 ARG A 116 17.225 10.311 -10.692 1.00 60.45 H new ATOM 0 HB3 ARG A 116 18.859 10.006 -10.138 1.00 60.45 H new ATOM 0 HG2 ARG A 116 18.349 7.837 -10.548 1.00 21.14 H new ATOM 0 HG3 ARG A 116 17.576 7.900 -8.976 1.00 21.14 H new ATOM 0 HD2 ARG A 116 15.812 7.086 -10.214 1.00 70.43 H new ATOM 0 HD3 ARG A 116 15.501 8.803 -10.385 1.00 70.43 H new ATOM 0 HE ARG A 116 17.252 7.830 -12.490 1.00 54.43 H new ATOM 0 HH11 ARG A 116 13.900 8.003 -11.397 1.00 30.12 H new ATOM 0 HH12 ARG A 116 13.239 7.882 -13.031 1.00 30.12 H new ATOM 0 HH21 ARG A 116 16.395 7.675 -14.586 1.00 41.05 H new ATOM 0 HH22 ARG A 116 14.645 7.697 -14.829 1.00 41.05 H new TER 1850 ARG A 116