USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 793 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 63 GLN : amide:sc= 0.247 K(o=0.1,f=-0.63) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.147 K(o=0.1,f=-0.76) USER MOD Set 2.1: A 37 SER OG : rot 44:sc= 0.655 USER MOD Set 2.2: A 38 GLN :FLIP amide:sc= -0.586 F(o=-1.1,f=0.069) USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.243 K(o=0.48,f=-1.9) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.235 K(o=0.48,f=-0.37) USER MOD Set 4.1: A 12 THR OG1 : rot -76:sc= 0.273 USER MOD Set 4.2: A 59 ASN : amide:sc= -0.25 K(o=0.023,f=-3.5!) USER MOD Single : A 3 LYS NZ :NH3+ -130:sc= 0.103 (180deg=-0.861) USER MOD Single : A 9 SER OG : rot 180:sc= -0.926 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.165 K(o=-0.16,f=-4.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 73:sc= 0.847 USER MOD Single : A 19 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -104:sc= -1.57! USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -33:sc= 0.0344 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -115:sc= -1.06 (180deg=-2.39) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 64 ASN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.644 F(o=-1.5,f=-0.64) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.371 (180deg=0.302) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= -0.259 (180deg=-0.267) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.4 USER MOD Single : A 92 THR OG1 : rot 110:sc= 0.392 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.326 1.807 12.852 1.00 53.11 N ATOM 21 CA GLY A 2 4.748 2.018 11.469 1.00 41.03 C ATOM 22 C GLY A 2 3.956 3.083 10.725 1.00 54.00 C ATOM 23 O GLY A 2 3.239 3.894 11.336 1.00 31.42 O ATOM 0 HA2 GLY A 2 5.802 2.295 11.462 1.00 41.03 H new ATOM 0 HA3 GLY A 2 4.663 1.075 10.928 1.00 41.03 H new ATOM 27 N LYS A 3 4.116 3.077 9.395 1.00 62.12 N ATOM 28 CA LYS A 3 3.376 3.936 8.470 1.00 55.42 C ATOM 29 C LYS A 3 3.279 3.235 7.103 1.00 74.44 C ATOM 30 O LYS A 3 4.291 2.985 6.454 1.00 50.20 O ATOM 31 CB LYS A 3 4.055 5.329 8.333 1.00 45.03 C ATOM 32 CG LYS A 3 3.432 6.210 7.230 1.00 74.12 C ATOM 33 CD LYS A 3 4.049 7.620 7.121 1.00 10.33 C ATOM 34 CE LYS A 3 3.539 8.552 8.213 1.00 71.10 C ATOM 35 NZ LYS A 3 2.058 8.673 8.169 1.00 4.04 N ATOM 0 H LYS A 3 4.779 2.460 8.925 1.00 62.12 H new ATOM 0 HA LYS A 3 2.373 4.104 8.862 1.00 55.42 H new ATOM 0 HB2 LYS A 3 3.988 5.853 9.287 1.00 45.03 H new ATOM 0 HB3 LYS A 3 5.115 5.189 8.120 1.00 45.03 H new ATOM 0 HG2 LYS A 3 3.541 5.703 6.271 1.00 74.12 H new ATOM 0 HG3 LYS A 3 2.363 6.307 7.419 1.00 74.12 H new ATOM 0 HD2 LYS A 3 5.135 7.547 7.185 1.00 10.33 H new ATOM 0 HD3 LYS A 3 3.815 8.044 6.144 1.00 10.33 H new ATOM 0 HE2 LYS A 3 3.847 8.176 9.189 1.00 71.10 H new ATOM 0 HE3 LYS A 3 3.991 9.537 8.094 1.00 71.10 H new ATOM 0 HZ1 LYS A 3 1.791 9.678 8.181 1.00 4.04 H new ATOM 0 HZ2 LYS A 3 1.699 8.230 7.299 1.00 4.04 H new ATOM 0 HZ3 LYS A 3 1.646 8.195 8.996 1.00 4.04 H new ATOM 49 N VAL A 4 2.054 2.916 6.677 1.00 43.02 N ATOM 50 CA VAL A 4 1.799 2.227 5.400 1.00 70.12 C ATOM 51 C VAL A 4 1.286 3.235 4.357 1.00 73.42 C ATOM 52 O VAL A 4 0.593 4.189 4.701 1.00 64.32 O ATOM 53 CB VAL A 4 0.742 1.073 5.568 1.00 2.22 C ATOM 54 CG1 VAL A 4 0.622 0.240 4.271 1.00 3.40 C ATOM 55 CG2 VAL A 4 1.080 0.168 6.778 1.00 63.11 C ATOM 0 H VAL A 4 1.207 3.127 7.205 1.00 43.02 H new ATOM 0 HA VAL A 4 2.739 1.787 5.066 1.00 70.12 H new ATOM 0 HB VAL A 4 -0.225 1.537 5.763 1.00 2.22 H new ATOM 0 HG11 VAL A 4 -0.115 -0.551 4.413 1.00 3.40 H new ATOM 0 HG12 VAL A 4 0.307 0.886 3.451 1.00 3.40 H new ATOM 0 HG13 VAL A 4 1.589 -0.203 4.033 1.00 3.40 H new ATOM 0 HG21 VAL A 4 0.330 -0.618 6.865 1.00 63.11 H new ATOM 0 HG22 VAL A 4 2.062 -0.282 6.633 1.00 63.11 H new ATOM 0 HG23 VAL A 4 1.086 0.766 7.689 1.00 63.11 H new ATOM 65 N LEU A 5 1.664 3.032 3.090 1.00 64.12 N ATOM 66 CA LEU A 5 1.067 3.724 1.947 1.00 33.20 C ATOM 67 C LEU A 5 0.078 2.764 1.291 1.00 70.32 C ATOM 68 O LEU A 5 0.487 1.757 0.700 1.00 50.25 O ATOM 69 CB LEU A 5 2.152 4.154 0.930 1.00 30.14 C ATOM 70 CG LEU A 5 1.651 4.980 -0.302 1.00 51.20 C ATOM 71 CD1 LEU A 5 1.025 6.320 0.129 1.00 70.31 C ATOM 72 CD2 LEU A 5 2.785 5.195 -1.316 1.00 20.02 C ATOM 0 H LEU A 5 2.400 2.376 2.829 1.00 64.12 H new ATOM 0 HA LEU A 5 0.561 4.629 2.283 1.00 33.20 H new ATOM 0 HB2 LEU A 5 2.902 4.744 1.457 1.00 30.14 H new ATOM 0 HB3 LEU A 5 2.652 3.258 0.562 1.00 30.14 H new ATOM 0 HG LEU A 5 0.868 4.401 -0.791 1.00 51.20 H new ATOM 0 HD11 LEU A 5 0.689 6.865 -0.753 1.00 70.31 H new ATOM 0 HD12 LEU A 5 0.175 6.130 0.784 1.00 70.31 H new ATOM 0 HD13 LEU A 5 1.768 6.914 0.662 1.00 70.31 H new ATOM 0 HD21 LEU A 5 2.412 5.771 -2.163 1.00 20.02 H new ATOM 0 HD22 LEU A 5 3.601 5.738 -0.839 1.00 20.02 H new ATOM 0 HD23 LEU A 5 3.148 4.229 -1.667 1.00 20.02 H new ATOM 84 N LEU A 6 -1.216 3.057 1.419 1.00 61.51 N ATOM 85 CA LEU A 6 -2.275 2.225 0.855 1.00 30.53 C ATOM 86 C LEU A 6 -2.487 2.655 -0.608 1.00 75.03 C ATOM 87 O LEU A 6 -3.221 3.611 -0.878 1.00 61.32 O ATOM 88 CB LEU A 6 -3.577 2.374 1.706 1.00 45.14 C ATOM 89 CG LEU A 6 -4.731 1.369 1.384 1.00 13.31 C ATOM 90 CD1 LEU A 6 -4.291 -0.082 1.663 1.00 24.23 C ATOM 91 CD2 LEU A 6 -6.021 1.724 2.158 1.00 73.33 C ATOM 0 H LEU A 6 -1.558 3.879 1.917 1.00 61.51 H new ATOM 0 HA LEU A 6 -2.001 1.170 0.877 1.00 30.53 H new ATOM 0 HB2 LEU A 6 -3.313 2.267 2.758 1.00 45.14 H new ATOM 0 HB3 LEU A 6 -3.958 3.387 1.575 1.00 45.14 H new ATOM 0 HG LEU A 6 -4.957 1.451 0.321 1.00 13.31 H new ATOM 0 HD11 LEU A 6 -5.111 -0.762 1.431 1.00 24.23 H new ATOM 0 HD12 LEU A 6 -3.430 -0.327 1.041 1.00 24.23 H new ATOM 0 HD13 LEU A 6 -4.021 -0.185 2.714 1.00 24.23 H new ATOM 0 HD21 LEU A 6 -6.803 1.006 1.911 1.00 73.33 H new ATOM 0 HD22 LEU A 6 -5.823 1.691 3.229 1.00 73.33 H new ATOM 0 HD23 LEU A 6 -6.348 2.726 1.880 1.00 73.33 H new ATOM 103 N VAL A 7 -1.805 1.964 -1.545 1.00 71.43 N ATOM 104 CA VAL A 7 -1.864 2.293 -2.977 1.00 4.44 C ATOM 105 C VAL A 7 -3.063 1.573 -3.593 1.00 20.11 C ATOM 106 O VAL A 7 -3.047 0.359 -3.810 1.00 21.01 O ATOM 107 CB VAL A 7 -0.547 1.885 -3.746 1.00 34.32 C ATOM 108 CG1 VAL A 7 -0.652 2.170 -5.275 1.00 14.21 C ATOM 109 CG2 VAL A 7 0.684 2.584 -3.134 1.00 23.30 C ATOM 0 H VAL A 7 -1.204 1.169 -1.329 1.00 71.43 H new ATOM 0 HA VAL A 7 -1.966 3.374 -3.072 1.00 4.44 H new ATOM 0 HB VAL A 7 -0.423 0.808 -3.629 1.00 34.32 H new ATOM 0 HG11 VAL A 7 0.276 1.874 -5.765 1.00 14.21 H new ATOM 0 HG12 VAL A 7 -1.481 1.601 -5.695 1.00 14.21 H new ATOM 0 HG13 VAL A 7 -0.824 3.234 -5.436 1.00 14.21 H new ATOM 0 HG21 VAL A 7 1.580 2.288 -3.680 1.00 23.30 H new ATOM 0 HG22 VAL A 7 0.559 3.665 -3.201 1.00 23.30 H new ATOM 0 HG23 VAL A 7 0.784 2.294 -2.088 1.00 23.30 H new ATOM 119 N ILE A 8 -4.104 2.354 -3.837 1.00 54.41 N ATOM 120 CA ILE A 8 -5.354 1.903 -4.422 1.00 44.25 C ATOM 121 C ILE A 8 -5.406 2.378 -5.881 1.00 70.44 C ATOM 122 O ILE A 8 -5.255 3.579 -6.155 1.00 70.30 O ATOM 123 CB ILE A 8 -6.580 2.480 -3.630 1.00 33.21 C ATOM 124 CG1 ILE A 8 -6.430 2.233 -2.096 1.00 0.44 C ATOM 125 CG2 ILE A 8 -7.906 1.889 -4.155 1.00 51.12 C ATOM 126 CD1 ILE A 8 -7.529 2.851 -1.248 1.00 23.10 C ATOM 0 H ILE A 8 -4.100 3.352 -3.626 1.00 54.41 H new ATOM 0 HA ILE A 8 -5.405 0.815 -4.375 1.00 44.25 H new ATOM 0 HB ILE A 8 -6.602 3.557 -3.794 1.00 33.21 H new ATOM 0 HG12 ILE A 8 -6.409 1.158 -1.914 1.00 0.44 H new ATOM 0 HG13 ILE A 8 -5.469 2.630 -1.769 1.00 0.44 H new ATOM 0 HG21 ILE A 8 -8.739 2.305 -3.589 1.00 51.12 H new ATOM 0 HG22 ILE A 8 -8.023 2.138 -5.210 1.00 51.12 H new ATOM 0 HG23 ILE A 8 -7.893 0.805 -4.037 1.00 51.12 H new ATOM 0 HD11 ILE A 8 -7.345 2.630 -0.197 1.00 23.10 H new ATOM 0 HD12 ILE A 8 -7.539 3.931 -1.395 1.00 23.10 H new ATOM 0 HD13 ILE A 8 -8.493 2.436 -1.543 1.00 23.10 H new ATOM 138 N SER A 9 -5.608 1.437 -6.798 1.00 32.03 N ATOM 139 CA SER A 9 -5.734 1.719 -8.225 1.00 74.25 C ATOM 140 C SER A 9 -6.703 0.704 -8.826 1.00 53.40 C ATOM 141 O SER A 9 -6.673 -0.481 -8.463 1.00 71.54 O ATOM 142 CB SER A 9 -4.349 1.653 -8.912 1.00 64.22 C ATOM 143 OG SER A 9 -4.425 1.948 -10.297 1.00 43.43 O ATOM 0 H SER A 9 -5.690 0.446 -6.569 1.00 32.03 H new ATOM 0 HA SER A 9 -6.121 2.726 -8.381 1.00 74.25 H new ATOM 0 HB2 SER A 9 -3.671 2.357 -8.429 1.00 64.22 H new ATOM 0 HB3 SER A 9 -3.925 0.658 -8.777 1.00 64.22 H new ATOM 0 HG SER A 9 -3.530 1.897 -10.692 1.00 43.43 H new ATOM 149 N THR A 10 -7.575 1.173 -9.724 1.00 11.32 N ATOM 150 CA THR A 10 -8.586 0.330 -10.381 1.00 71.14 C ATOM 151 C THR A 10 -7.945 -0.510 -11.519 1.00 31.53 C ATOM 152 O THR A 10 -8.502 -1.524 -11.956 1.00 64.21 O ATOM 153 CB THR A 10 -9.739 1.240 -10.921 1.00 74.44 C ATOM 154 OG1 THR A 10 -10.150 2.143 -9.874 1.00 24.23 O ATOM 155 CG2 THR A 10 -10.972 0.441 -11.392 1.00 0.34 C ATOM 0 H THR A 10 -7.602 2.149 -10.018 1.00 11.32 H new ATOM 0 HA THR A 10 -9.002 -0.372 -9.658 1.00 71.14 H new ATOM 0 HB THR A 10 -9.347 1.775 -11.786 1.00 74.44 H new ATOM 0 HG1 THR A 10 -10.871 2.719 -10.203 1.00 24.23 H new ATOM 0 HG21 THR A 10 -11.735 1.130 -11.755 1.00 0.34 H new ATOM 0 HG22 THR A 10 -10.682 -0.235 -12.196 1.00 0.34 H new ATOM 0 HG23 THR A 10 -11.371 -0.137 -10.558 1.00 0.34 H new ATOM 163 N ASP A 11 -6.728 -0.106 -11.934 1.00 40.34 N ATOM 164 CA ASP A 11 -5.996 -0.727 -13.047 1.00 32.42 C ATOM 165 C ASP A 11 -4.897 -1.659 -12.509 1.00 4.35 C ATOM 166 O ASP A 11 -3.838 -1.186 -12.065 1.00 22.42 O ATOM 167 CB ASP A 11 -5.384 0.367 -13.958 1.00 4.23 C ATOM 168 CG ASP A 11 -6.441 1.180 -14.723 1.00 51.42 C ATOM 169 OD1 ASP A 11 -7.055 2.087 -14.132 1.00 43.34 O ATOM 170 OD2 ASP A 11 -6.668 0.913 -15.920 1.00 33.14 O ATOM 0 H ASP A 11 -6.224 0.667 -11.500 1.00 40.34 H new ATOM 0 HA ASP A 11 -6.692 -1.322 -13.638 1.00 32.42 H new ATOM 0 HB2 ASP A 11 -4.785 1.044 -13.349 1.00 4.23 H new ATOM 0 HB3 ASP A 11 -4.708 -0.101 -14.673 1.00 4.23 H new ATOM 175 N THR A 12 -5.172 -2.982 -12.548 1.00 4.03 N ATOM 176 CA THR A 12 -4.200 -4.049 -12.207 1.00 52.11 C ATOM 177 C THR A 12 -2.890 -3.896 -13.013 1.00 71.23 C ATOM 178 O THR A 12 -1.800 -4.183 -12.505 1.00 33.51 O ATOM 179 CB THR A 12 -4.827 -5.458 -12.497 1.00 30.40 C ATOM 180 OG1 THR A 12 -6.018 -5.615 -11.714 1.00 2.33 O ATOM 181 CG2 THR A 12 -3.858 -6.635 -12.206 1.00 22.31 C ATOM 0 H THR A 12 -6.086 -3.345 -12.820 1.00 4.03 H new ATOM 0 HA THR A 12 -3.965 -3.959 -11.146 1.00 52.11 H new ATOM 0 HB THR A 12 -5.051 -5.493 -13.563 1.00 30.40 H new ATOM 0 HG1 THR A 12 -5.775 -5.805 -10.784 1.00 2.33 H new ATOM 0 HG21 THR A 12 -4.355 -7.579 -12.428 1.00 22.31 H new ATOM 0 HG22 THR A 12 -2.969 -6.538 -12.830 1.00 22.31 H new ATOM 0 HG23 THR A 12 -3.568 -6.616 -11.156 1.00 22.31 H new ATOM 189 N ASN A 13 -3.041 -3.432 -14.273 1.00 21.21 N ATOM 190 CA ASN A 13 -1.930 -3.179 -15.206 1.00 63.22 C ATOM 191 C ASN A 13 -0.944 -2.157 -14.609 1.00 2.51 C ATOM 192 O ASN A 13 0.278 -2.342 -14.676 1.00 71.31 O ATOM 193 CB ASN A 13 -2.471 -2.658 -16.578 1.00 21.30 C ATOM 194 CG ASN A 13 -3.498 -3.588 -17.251 1.00 75.04 C ATOM 195 OD1 ASN A 13 -4.315 -4.227 -16.588 1.00 52.21 O ATOM 196 ND2 ASN A 13 -3.454 -3.678 -18.572 1.00 3.54 N ATOM 0 H ASN A 13 -3.955 -3.220 -14.673 1.00 21.21 H new ATOM 0 HA ASN A 13 -1.405 -4.120 -15.370 1.00 63.22 H new ATOM 0 HB2 ASN A 13 -2.929 -1.680 -16.427 1.00 21.30 H new ATOM 0 HB3 ASN A 13 -1.630 -2.515 -17.256 1.00 21.30 H new ATOM 0 HD21 ASN A 13 -4.107 -4.288 -19.064 1.00 3.54 H new ATOM 0 HD22 ASN A 13 -2.767 -3.137 -19.097 1.00 3.54 H new ATOM 203 N ILE A 14 -1.499 -1.099 -13.988 1.00 64.12 N ATOM 204 CA ILE A 14 -0.709 0.012 -13.442 1.00 0.22 C ATOM 205 C ILE A 14 -0.071 -0.391 -12.102 1.00 14.14 C ATOM 206 O ILE A 14 1.088 -0.063 -11.846 1.00 53.04 O ATOM 207 CB ILE A 14 -1.595 1.309 -13.294 1.00 62.44 C ATOM 208 CG1 ILE A 14 -2.136 1.768 -14.691 1.00 43.45 C ATOM 209 CG2 ILE A 14 -0.831 2.455 -12.599 1.00 1.45 C ATOM 210 CD1 ILE A 14 -1.066 1.981 -15.748 1.00 71.42 C ATOM 0 H ILE A 14 -2.505 -0.994 -13.853 1.00 64.12 H new ATOM 0 HA ILE A 14 0.096 0.243 -14.140 1.00 0.22 H new ATOM 0 HB ILE A 14 -2.442 1.055 -12.657 1.00 62.44 H new ATOM 0 HG12 ILE A 14 -2.843 1.022 -15.054 1.00 43.45 H new ATOM 0 HG13 ILE A 14 -2.691 2.697 -14.563 1.00 43.45 H new ATOM 0 HG21 ILE A 14 -1.479 3.328 -12.518 1.00 1.45 H new ATOM 0 HG22 ILE A 14 -0.525 2.137 -11.602 1.00 1.45 H new ATOM 0 HG23 ILE A 14 0.052 2.711 -13.185 1.00 1.45 H new ATOM 0 HD11 ILE A 14 -1.534 2.297 -16.681 1.00 71.42 H new ATOM 0 HD12 ILE A 14 -0.371 2.750 -15.412 1.00 71.42 H new ATOM 0 HD13 ILE A 14 -0.525 1.049 -15.911 1.00 71.42 H new ATOM 222 N ILE A 15 -0.842 -1.119 -11.270 1.00 63.44 N ATOM 223 CA ILE A 15 -0.351 -1.700 -10.001 1.00 73.32 C ATOM 224 C ILE A 15 0.886 -2.588 -10.245 1.00 62.52 C ATOM 225 O ILE A 15 1.866 -2.502 -9.502 1.00 60.43 O ATOM 226 CB ILE A 15 -1.499 -2.519 -9.291 1.00 61.23 C ATOM 227 CG1 ILE A 15 -2.670 -1.561 -8.913 1.00 44.21 C ATOM 228 CG2 ILE A 15 -0.991 -3.302 -8.057 1.00 61.03 C ATOM 229 CD1 ILE A 15 -3.826 -2.201 -8.170 1.00 3.42 C ATOM 0 H ILE A 15 -1.824 -1.322 -11.458 1.00 63.44 H new ATOM 0 HA ILE A 15 -0.052 -0.884 -9.343 1.00 73.32 H new ATOM 0 HB ILE A 15 -1.862 -3.267 -9.995 1.00 61.23 H new ATOM 0 HG12 ILE A 15 -2.271 -0.752 -8.301 1.00 44.21 H new ATOM 0 HG13 ILE A 15 -3.055 -1.108 -9.827 1.00 44.21 H new ATOM 0 HG21 ILE A 15 -1.820 -3.848 -7.606 1.00 61.03 H new ATOM 0 HG22 ILE A 15 -0.218 -4.006 -8.366 1.00 61.03 H new ATOM 0 HG23 ILE A 15 -0.577 -2.605 -7.329 1.00 61.03 H new ATOM 0 HD11 ILE A 15 -4.584 -1.447 -7.957 1.00 3.42 H new ATOM 0 HD12 ILE A 15 -4.261 -2.989 -8.784 1.00 3.42 H new ATOM 0 HD13 ILE A 15 -3.465 -2.628 -7.234 1.00 3.42 H new ATOM 241 N SER A 16 0.822 -3.401 -11.319 1.00 60.14 N ATOM 242 CA SER A 16 1.919 -4.284 -11.746 1.00 72.41 C ATOM 243 C SER A 16 3.167 -3.457 -12.103 1.00 40.42 C ATOM 244 O SER A 16 4.252 -3.727 -11.591 1.00 22.04 O ATOM 245 CB SER A 16 1.460 -5.147 -12.951 1.00 21.24 C ATOM 246 OG SER A 16 2.469 -6.057 -13.368 1.00 31.51 O ATOM 0 H SER A 16 -0.002 -3.461 -11.918 1.00 60.14 H new ATOM 0 HA SER A 16 2.183 -4.949 -10.924 1.00 72.41 H new ATOM 0 HB2 SER A 16 0.562 -5.701 -12.679 1.00 21.24 H new ATOM 0 HB3 SER A 16 1.193 -4.495 -13.783 1.00 21.24 H new ATOM 0 HG SER A 16 2.142 -6.583 -14.127 1.00 31.51 H new ATOM 252 N SER A 17 2.966 -2.405 -12.928 1.00 32.21 N ATOM 253 CA SER A 17 4.053 -1.533 -13.428 1.00 25.14 C ATOM 254 C SER A 17 4.829 -0.870 -12.269 1.00 2.25 C ATOM 255 O SER A 17 6.060 -1.004 -12.152 1.00 74.44 O ATOM 256 CB SER A 17 3.452 -0.440 -14.351 1.00 0.31 C ATOM 257 OG SER A 17 2.683 -1.009 -15.388 1.00 34.14 O ATOM 0 H SER A 17 2.042 -2.136 -13.267 1.00 32.21 H new ATOM 0 HA SER A 17 4.755 -2.151 -13.988 1.00 25.14 H new ATOM 0 HB2 SER A 17 2.830 0.234 -13.762 1.00 0.31 H new ATOM 0 HB3 SER A 17 4.256 0.160 -14.779 1.00 0.31 H new ATOM 0 HG SER A 17 1.841 -1.352 -15.021 1.00 34.14 H new ATOM 263 N VAL A 18 4.063 -0.198 -11.404 1.00 22.14 N ATOM 264 CA VAL A 18 4.570 0.584 -10.266 1.00 32.13 C ATOM 265 C VAL A 18 5.254 -0.321 -9.224 1.00 3.22 C ATOM 266 O VAL A 18 6.249 0.073 -8.603 1.00 33.05 O ATOM 267 CB VAL A 18 3.373 1.387 -9.630 1.00 21.40 C ATOM 268 CG1 VAL A 18 3.771 2.114 -8.327 1.00 3.41 C ATOM 269 CG2 VAL A 18 2.790 2.381 -10.672 1.00 61.34 C ATOM 0 H VAL A 18 3.046 -0.181 -11.476 1.00 22.14 H new ATOM 0 HA VAL A 18 5.328 1.284 -10.618 1.00 32.13 H new ATOM 0 HB VAL A 18 2.603 0.667 -9.354 1.00 21.40 H new ATOM 0 HG11 VAL A 18 2.909 2.651 -7.932 1.00 3.41 H new ATOM 0 HG12 VAL A 18 4.112 1.384 -7.593 1.00 3.41 H new ATOM 0 HG13 VAL A 18 4.574 2.821 -8.535 1.00 3.41 H new ATOM 0 HG21 VAL A 18 1.963 2.933 -10.225 1.00 61.34 H new ATOM 0 HG22 VAL A 18 3.567 3.080 -10.982 1.00 61.34 H new ATOM 0 HG23 VAL A 18 2.431 1.829 -11.540 1.00 61.34 H new ATOM 279 N GLN A 19 4.717 -1.540 -9.072 1.00 5.41 N ATOM 280 CA GLN A 19 5.262 -2.563 -8.166 1.00 73.40 C ATOM 281 C GLN A 19 6.676 -2.986 -8.613 1.00 34.15 C ATOM 282 O GLN A 19 7.595 -3.014 -7.804 1.00 31.41 O ATOM 283 CB GLN A 19 4.318 -3.786 -8.141 1.00 50.23 C ATOM 284 CG GLN A 19 4.689 -4.890 -7.135 1.00 24.14 C ATOM 285 CD GLN A 19 3.799 -6.136 -7.221 1.00 24.23 C ATOM 286 OE1 GLN A 19 4.250 -7.243 -6.937 1.00 32.32 O ATOM 287 NE2 GLN A 19 2.530 -5.977 -7.596 1.00 53.11 N ATOM 0 H GLN A 19 3.886 -1.847 -9.578 1.00 5.41 H new ATOM 0 HA GLN A 19 5.335 -2.145 -7.162 1.00 73.40 H new ATOM 0 HB2 GLN A 19 3.309 -3.439 -7.918 1.00 50.23 H new ATOM 0 HB3 GLN A 19 4.291 -4.223 -9.139 1.00 50.23 H new ATOM 0 HG2 GLN A 19 5.726 -5.184 -7.300 1.00 24.14 H new ATOM 0 HG3 GLN A 19 4.630 -4.483 -6.126 1.00 24.14 H new ATOM 0 HE21 GLN A 19 2.179 -5.047 -7.827 1.00 53.11 H new ATOM 0 HE22 GLN A 19 1.910 -6.785 -7.652 1.00 53.11 H new ATOM 296 N GLU A 20 6.823 -3.284 -9.923 1.00 43.31 N ATOM 297 CA GLU A 20 8.099 -3.744 -10.529 1.00 12.01 C ATOM 298 C GLU A 20 9.186 -2.656 -10.451 1.00 24.43 C ATOM 299 O GLU A 20 10.377 -2.963 -10.288 1.00 71.54 O ATOM 300 CB GLU A 20 7.864 -4.155 -12.005 1.00 52.13 C ATOM 301 CG GLU A 20 6.885 -5.331 -12.179 1.00 35.23 C ATOM 302 CD GLU A 20 6.516 -5.585 -13.646 1.00 24.50 C ATOM 303 OE1 GLU A 20 5.767 -4.768 -14.227 1.00 33.31 O ATOM 304 OE2 GLU A 20 6.953 -6.603 -14.227 1.00 2.23 O ATOM 0 H GLU A 20 6.059 -3.213 -10.595 1.00 43.31 H new ATOM 0 HA GLU A 20 8.449 -4.607 -9.962 1.00 12.01 H new ATOM 0 HB2 GLU A 20 7.483 -3.294 -12.555 1.00 52.13 H new ATOM 0 HB3 GLU A 20 8.821 -4.422 -12.454 1.00 52.13 H new ATOM 0 HG2 GLU A 20 7.330 -6.233 -11.760 1.00 35.23 H new ATOM 0 HG3 GLU A 20 5.977 -5.129 -11.610 1.00 35.23 H new ATOM 311 N ARG A 21 8.753 -1.390 -10.581 1.00 51.20 N ATOM 312 CA ARG A 21 9.639 -0.216 -10.485 1.00 22.13 C ATOM 313 C ARG A 21 10.136 -0.033 -9.033 1.00 60.42 C ATOM 314 O ARG A 21 11.336 0.129 -8.798 1.00 45.24 O ATOM 315 CB ARG A 21 8.887 1.049 -10.991 1.00 14.12 C ATOM 316 CG ARG A 21 8.598 1.044 -12.516 1.00 15.03 C ATOM 317 CD ARG A 21 7.507 2.059 -12.937 1.00 63.41 C ATOM 318 NE ARG A 21 7.331 2.181 -14.405 1.00 13.11 N ATOM 319 CZ ARG A 21 6.968 1.194 -15.258 1.00 30.11 C ATOM 320 NH1 ARG A 21 6.743 -0.044 -14.840 1.00 72.55 N ATOM 321 NH2 ARG A 21 6.807 1.472 -16.539 1.00 61.20 N ATOM 0 H ARG A 21 7.777 -1.151 -10.756 1.00 51.20 H new ATOM 0 HA ARG A 21 10.515 -0.371 -11.115 1.00 22.13 H new ATOM 0 HB2 ARG A 21 7.943 1.137 -10.453 1.00 14.12 H new ATOM 0 HB3 ARG A 21 9.477 1.932 -10.746 1.00 14.12 H new ATOM 0 HG2 ARG A 21 9.519 1.268 -13.054 1.00 15.03 H new ATOM 0 HG3 ARG A 21 8.288 0.043 -12.817 1.00 15.03 H new ATOM 0 HD2 ARG A 21 6.558 1.762 -12.491 1.00 63.41 H new ATOM 0 HD3 ARG A 21 7.759 3.038 -12.529 1.00 63.41 H new ATOM 0 HE ARG A 21 7.500 3.101 -14.813 1.00 13.11 H new ATOM 0 HH11 ARG A 21 6.842 -0.274 -13.851 1.00 72.55 H new ATOM 0 HH12 ARG A 21 6.471 -0.766 -15.507 1.00 72.55 H new ATOM 0 HH21 ARG A 21 6.956 2.423 -16.877 1.00 61.20 H new ATOM 0 HH22 ARG A 21 6.534 0.736 -17.190 1.00 61.20 H new ATOM 335 N ALA A 22 9.194 -0.093 -8.073 1.00 34.33 N ATOM 336 CA ALA A 22 9.474 0.101 -6.636 1.00 11.41 C ATOM 337 C ALA A 22 10.373 -1.010 -6.058 1.00 2.25 C ATOM 338 O ALA A 22 11.266 -0.723 -5.269 1.00 12.33 O ATOM 339 CB ALA A 22 8.154 0.186 -5.856 1.00 54.45 C ATOM 0 H ALA A 22 8.211 -0.278 -8.273 1.00 34.33 H new ATOM 0 HA ALA A 22 10.022 1.037 -6.530 1.00 11.41 H new ATOM 0 HB1 ALA A 22 8.366 0.329 -4.796 1.00 54.45 H new ATOM 0 HB2 ALA A 22 7.567 1.027 -6.225 1.00 54.45 H new ATOM 0 HB3 ALA A 22 7.591 -0.737 -5.992 1.00 54.45 H new ATOM 345 N LYS A 23 10.111 -2.271 -6.451 1.00 75.05 N ATOM 346 CA LYS A 23 10.911 -3.445 -6.022 1.00 61.12 C ATOM 347 C LYS A 23 12.325 -3.433 -6.634 1.00 43.45 C ATOM 348 O LYS A 23 13.242 -4.049 -6.089 1.00 51.43 O ATOM 349 CB LYS A 23 10.182 -4.768 -6.389 1.00 11.11 C ATOM 350 CG LYS A 23 8.869 -5.006 -5.620 1.00 11.11 C ATOM 351 CD LYS A 23 8.132 -6.299 -6.052 1.00 62.30 C ATOM 352 CE LYS A 23 8.942 -7.582 -5.803 1.00 15.31 C ATOM 353 NZ LYS A 23 8.163 -8.807 -6.153 1.00 31.23 N ATOM 0 H LYS A 23 9.340 -2.510 -7.075 1.00 75.05 H new ATOM 0 HA LYS A 23 11.017 -3.384 -4.939 1.00 61.12 H new ATOM 0 HB2 LYS A 23 9.968 -4.766 -7.458 1.00 11.11 H new ATOM 0 HB3 LYS A 23 10.856 -5.604 -6.201 1.00 11.11 H new ATOM 0 HG2 LYS A 23 9.085 -5.058 -4.553 1.00 11.11 H new ATOM 0 HG3 LYS A 23 8.208 -4.152 -5.770 1.00 11.11 H new ATOM 0 HD2 LYS A 23 7.187 -6.366 -5.513 1.00 62.30 H new ATOM 0 HD3 LYS A 23 7.890 -6.232 -7.113 1.00 62.30 H new ATOM 0 HE2 LYS A 23 9.858 -7.553 -6.393 1.00 15.31 H new ATOM 0 HE3 LYS A 23 9.238 -7.627 -4.755 1.00 15.31 H new ATOM 0 HZ1 LYS A 23 8.743 -9.651 -5.971 1.00 31.23 H new ATOM 0 HZ2 LYS A 23 7.301 -8.848 -5.573 1.00 31.23 H new ATOM 0 HZ3 LYS A 23 7.902 -8.777 -7.159 1.00 31.23 H new ATOM 367 N HIS A 24 12.483 -2.759 -7.783 1.00 45.14 N ATOM 368 CA HIS A 24 13.801 -2.550 -8.417 1.00 62.43 C ATOM 369 C HIS A 24 14.636 -1.518 -7.622 1.00 5.23 C ATOM 370 O HIS A 24 15.860 -1.640 -7.521 1.00 2.00 O ATOM 371 CB HIS A 24 13.610 -2.080 -9.881 1.00 50.25 C ATOM 372 CG HIS A 24 14.890 -1.765 -10.623 1.00 11.24 C ATOM 373 ND1 HIS A 24 15.479 -0.520 -10.602 1.00 15.42 N ATOM 374 CD2 HIS A 24 15.687 -2.538 -11.399 1.00 13.44 C ATOM 375 CE1 HIS A 24 16.576 -0.543 -11.327 1.00 21.10 C ATOM 376 NE2 HIS A 24 16.726 -1.754 -11.827 1.00 11.02 N ATOM 0 H HIS A 24 11.708 -2.344 -8.300 1.00 45.14 H new ATOM 0 HA HIS A 24 14.344 -3.495 -8.415 1.00 62.43 H new ATOM 0 HB2 HIS A 24 13.072 -2.854 -10.428 1.00 50.25 H new ATOM 0 HB3 HIS A 24 12.979 -1.191 -9.882 1.00 50.25 H new ATOM 0 HD1 HIS A 24 15.120 0.293 -10.102 1.00 15.42 H new ATOM 0 HD2 HIS A 24 15.532 -3.580 -11.637 1.00 13.44 H new ATOM 0 HE1 HIS A 24 17.243 0.291 -11.486 1.00 21.10 H new ATOM 385 N ASN A 25 13.947 -0.504 -7.074 1.00 2.21 N ATOM 386 CA ASN A 25 14.583 0.649 -6.391 1.00 43.35 C ATOM 387 C ASN A 25 14.728 0.399 -4.876 1.00 35.53 C ATOM 388 O ASN A 25 15.603 0.977 -4.224 1.00 51.51 O ATOM 389 CB ASN A 25 13.739 1.928 -6.653 1.00 32.42 C ATOM 390 CG ASN A 25 13.603 2.251 -8.148 1.00 52.13 C ATOM 391 OD1 ASN A 25 14.503 1.967 -8.940 1.00 43.11 O ATOM 392 ND2 ASN A 25 12.475 2.819 -8.549 1.00 14.31 N ATOM 0 H ASN A 25 12.928 -0.455 -7.089 1.00 2.21 H new ATOM 0 HA ASN A 25 15.587 0.782 -6.795 1.00 43.35 H new ATOM 0 HB2 ASN A 25 12.746 1.798 -6.222 1.00 32.42 H new ATOM 0 HB3 ASN A 25 14.200 2.774 -6.143 1.00 32.42 H new ATOM 0 HD21 ASN A 25 12.334 3.032 -9.536 1.00 14.31 H new ATOM 0 HD22 ASN A 25 11.747 3.043 -7.870 1.00 14.31 H new ATOM 399 N TYR A 26 13.853 -0.461 -4.329 1.00 52.44 N ATOM 400 CA TYR A 26 13.781 -0.756 -2.881 1.00 4.23 C ATOM 401 C TYR A 26 13.670 -2.263 -2.671 1.00 43.55 C ATOM 402 O TYR A 26 13.135 -2.956 -3.541 1.00 43.05 O ATOM 403 CB TYR A 26 12.546 -0.069 -2.229 1.00 30.30 C ATOM 404 CG TYR A 26 12.552 1.447 -2.374 1.00 23.21 C ATOM 405 CD1 TYR A 26 13.386 2.239 -1.582 1.00 14.03 C ATOM 406 CD2 TYR A 26 11.746 2.084 -3.321 1.00 73.32 C ATOM 407 CE1 TYR A 26 13.415 3.605 -1.733 1.00 52.31 C ATOM 408 CE2 TYR A 26 11.770 3.444 -3.470 1.00 40.23 C ATOM 409 CZ TYR A 26 12.609 4.205 -2.675 1.00 1.21 C ATOM 410 OH TYR A 26 12.642 5.570 -2.823 1.00 60.01 O ATOM 0 H TYR A 26 13.168 -0.978 -4.881 1.00 52.44 H new ATOM 0 HA TYR A 26 14.687 -0.371 -2.413 1.00 4.23 H new ATOM 0 HB2 TYR A 26 11.637 -0.466 -2.681 1.00 30.30 H new ATOM 0 HB3 TYR A 26 12.514 -0.325 -1.170 1.00 30.30 H new ATOM 0 HD1 TYR A 26 14.017 1.772 -0.840 1.00 14.03 H new ATOM 0 HD2 TYR A 26 11.093 1.493 -3.946 1.00 73.32 H new ATOM 0 HE1 TYR A 26 14.067 4.205 -1.116 1.00 52.31 H new ATOM 0 HE2 TYR A 26 11.138 3.921 -4.204 1.00 40.23 H new ATOM 0 HH TYR A 26 11.845 5.963 -2.411 1.00 60.01 H new ATOM 420 N PRO A 27 14.169 -2.799 -1.515 1.00 51.35 N ATOM 421 CA PRO A 27 13.914 -4.201 -1.119 1.00 22.43 C ATOM 422 C PRO A 27 12.399 -4.522 -1.067 1.00 32.53 C ATOM 423 O PRO A 27 11.591 -3.690 -0.629 1.00 51.44 O ATOM 424 CB PRO A 27 14.579 -4.313 0.287 1.00 43.41 C ATOM 425 CG PRO A 27 14.829 -2.897 0.727 1.00 55.24 C ATOM 426 CD PRO A 27 15.064 -2.113 -0.540 1.00 43.04 C ATOM 0 HA PRO A 27 14.320 -4.917 -1.834 1.00 22.43 H new ATOM 0 HB2 PRO A 27 13.927 -4.833 0.989 1.00 43.41 H new ATOM 0 HB3 PRO A 27 15.509 -4.879 0.237 1.00 43.41 H new ATOM 0 HG2 PRO A 27 13.976 -2.502 1.280 1.00 55.24 H new ATOM 0 HG3 PRO A 27 15.693 -2.839 1.389 1.00 55.24 H new ATOM 0 HD2 PRO A 27 14.804 -1.061 -0.421 1.00 43.04 H new ATOM 0 HD3 PRO A 27 16.108 -2.149 -0.852 1.00 43.04 H new ATOM 434 N GLY A 28 12.045 -5.749 -1.503 1.00 21.23 N ATOM 435 CA GLY A 28 10.659 -6.239 -1.498 1.00 50.14 C ATOM 436 C GLY A 28 10.090 -6.446 -0.094 1.00 5.12 C ATOM 437 O GLY A 28 8.939 -6.852 0.056 1.00 60.12 O ATOM 0 H GLY A 28 12.716 -6.425 -1.868 1.00 21.23 H new ATOM 0 HA2 GLY A 28 10.029 -5.530 -2.036 1.00 50.14 H new ATOM 0 HA3 GLY A 28 10.614 -7.182 -2.042 1.00 50.14 H new ATOM 441 N ARG A 29 10.930 -6.193 0.927 1.00 23.04 N ATOM 442 CA ARG A 29 10.512 -6.088 2.328 1.00 0.34 C ATOM 443 C ARG A 29 9.483 -4.946 2.515 1.00 24.42 C ATOM 444 O ARG A 29 8.513 -5.094 3.255 1.00 50.21 O ATOM 445 CB ARG A 29 11.770 -5.862 3.221 1.00 3.03 C ATOM 446 CG ARG A 29 12.766 -7.051 3.217 1.00 2.51 C ATOM 447 CD ARG A 29 14.015 -6.815 4.098 1.00 61.31 C ATOM 448 NE ARG A 29 14.978 -5.871 3.486 1.00 41.54 N ATOM 449 CZ ARG A 29 15.478 -4.761 4.067 1.00 34.53 C ATOM 450 NH1 ARG A 29 15.113 -4.401 5.294 1.00 35.31 N ATOM 451 NH2 ARG A 29 16.377 -4.044 3.422 1.00 3.13 N ATOM 0 H ARG A 29 11.932 -6.055 0.795 1.00 23.04 H new ATOM 0 HA ARG A 29 10.023 -7.015 2.628 1.00 0.34 H new ATOM 0 HB2 ARG A 29 12.288 -4.966 2.881 1.00 3.03 H new ATOM 0 HB3 ARG A 29 11.447 -5.675 4.245 1.00 3.03 H new ATOM 0 HG2 ARG A 29 12.251 -7.947 3.564 1.00 2.51 H new ATOM 0 HG3 ARG A 29 13.085 -7.243 2.193 1.00 2.51 H new ATOM 0 HD2 ARG A 29 13.702 -6.430 5.068 1.00 61.31 H new ATOM 0 HD3 ARG A 29 14.512 -7.768 4.279 1.00 61.31 H new ATOM 0 HE ARG A 29 15.292 -6.079 2.538 1.00 41.54 H new ATOM 0 HH11 ARG A 29 14.443 -4.968 5.814 1.00 35.31 H new ATOM 0 HH12 ARG A 29 15.503 -3.558 5.715 1.00 35.31 H new ATOM 0 HH21 ARG A 29 16.687 -4.331 2.494 1.00 3.13 H new ATOM 0 HH22 ARG A 29 16.762 -3.203 3.851 1.00 3.13 H new ATOM 465 N TYR A 30 9.709 -3.815 1.818 1.00 72.42 N ATOM 466 CA TYR A 30 8.863 -2.601 1.935 1.00 42.00 C ATOM 467 C TYR A 30 7.676 -2.613 0.957 1.00 33.01 C ATOM 468 O TYR A 30 6.720 -1.849 1.138 1.00 73.44 O ATOM 469 CB TYR A 30 9.733 -1.336 1.738 1.00 62.42 C ATOM 470 CG TYR A 30 10.735 -1.122 2.883 1.00 42.04 C ATOM 471 CD1 TYR A 30 10.376 -0.399 4.020 1.00 53.11 C ATOM 472 CD2 TYR A 30 12.020 -1.675 2.841 1.00 62.02 C ATOM 473 CE1 TYR A 30 11.259 -0.226 5.065 1.00 61.33 C ATOM 474 CE2 TYR A 30 12.908 -1.504 3.884 1.00 44.13 C ATOM 475 CZ TYR A 30 12.524 -0.779 4.996 1.00 41.13 C ATOM 476 OH TYR A 30 13.412 -0.587 6.035 1.00 42.54 O ATOM 0 H TYR A 30 10.480 -3.713 1.158 1.00 72.42 H new ATOM 0 HA TYR A 30 8.434 -2.591 2.937 1.00 42.00 H new ATOM 0 HB2 TYR A 30 10.276 -1.416 0.796 1.00 62.42 H new ATOM 0 HB3 TYR A 30 9.085 -0.463 1.660 1.00 62.42 H new ATOM 0 HD1 TYR A 30 9.388 0.033 4.083 1.00 53.11 H new ATOM 0 HD2 TYR A 30 12.323 -2.246 1.976 1.00 62.02 H new ATOM 0 HE1 TYR A 30 10.963 0.340 5.936 1.00 61.33 H new ATOM 0 HE2 TYR A 30 13.897 -1.934 3.831 1.00 44.13 H new ATOM 0 HH TYR A 30 14.256 -1.041 5.832 1.00 42.54 H new ATOM 486 N ILE A 31 7.736 -3.464 -0.080 1.00 34.01 N ATOM 487 CA ILE A 31 6.644 -3.611 -1.056 1.00 65.24 C ATOM 488 C ILE A 31 5.862 -4.896 -0.739 1.00 74.22 C ATOM 489 O ILE A 31 6.428 -5.991 -0.684 1.00 23.53 O ATOM 490 CB ILE A 31 7.155 -3.636 -2.557 1.00 21.24 C ATOM 491 CG1 ILE A 31 7.733 -2.241 -3.010 1.00 71.31 C ATOM 492 CG2 ILE A 31 6.027 -4.086 -3.527 1.00 53.01 C ATOM 493 CD1 ILE A 31 9.062 -1.833 -2.391 1.00 74.54 C ATOM 0 H ILE A 31 8.538 -4.066 -0.265 1.00 34.01 H new ATOM 0 HA ILE A 31 5.999 -2.737 -0.966 1.00 65.24 H new ATOM 0 HB ILE A 31 7.966 -4.363 -2.599 1.00 21.24 H new ATOM 0 HG12 ILE A 31 7.849 -2.253 -4.094 1.00 71.31 H new ATOM 0 HG13 ILE A 31 6.996 -1.472 -2.777 1.00 71.31 H new ATOM 0 HG21 ILE A 31 6.407 -4.093 -4.549 1.00 53.01 H new ATOM 0 HG22 ILE A 31 5.693 -5.088 -3.257 1.00 53.01 H new ATOM 0 HG23 ILE A 31 5.189 -3.393 -3.457 1.00 53.01 H new ATOM 0 HD11 ILE A 31 9.359 -0.858 -2.777 1.00 74.54 H new ATOM 0 HD12 ILE A 31 8.957 -1.778 -1.307 1.00 74.54 H new ATOM 0 HD13 ILE A 31 9.823 -2.571 -2.645 1.00 74.54 H new ATOM 505 N ARG A 32 4.560 -4.733 -0.516 1.00 70.33 N ATOM 506 CA ARG A 32 3.613 -5.819 -0.244 1.00 51.11 C ATOM 507 C ARG A 32 2.338 -5.583 -1.078 1.00 73.25 C ATOM 508 O ARG A 32 2.024 -4.443 -1.422 1.00 73.33 O ATOM 509 CB ARG A 32 3.293 -5.837 1.280 1.00 74.35 C ATOM 510 CG ARG A 32 2.217 -6.856 1.712 1.00 53.42 C ATOM 511 CD ARG A 32 2.625 -8.326 1.491 1.00 61.33 C ATOM 512 NE ARG A 32 1.473 -9.239 1.630 1.00 32.23 N ATOM 513 CZ ARG A 32 1.155 -9.948 2.727 1.00 11.12 C ATOM 514 NH1 ARG A 32 1.891 -9.871 3.832 1.00 71.12 N ATOM 515 NH2 ARG A 32 0.108 -10.752 2.692 1.00 71.22 N ATOM 0 H ARG A 32 4.118 -3.814 -0.519 1.00 70.33 H new ATOM 0 HA ARG A 32 4.036 -6.785 -0.520 1.00 51.11 H new ATOM 0 HB2 ARG A 32 4.212 -6.050 1.826 1.00 74.35 H new ATOM 0 HB3 ARG A 32 2.968 -4.840 1.579 1.00 74.35 H new ATOM 0 HG2 ARG A 32 1.992 -6.706 2.768 1.00 53.42 H new ATOM 0 HG3 ARG A 32 1.299 -6.657 1.159 1.00 53.42 H new ATOM 0 HD2 ARG A 32 3.060 -8.438 0.498 1.00 61.33 H new ATOM 0 HD3 ARG A 32 3.397 -8.602 2.210 1.00 61.33 H new ATOM 0 HE ARG A 32 0.862 -9.341 0.819 1.00 32.23 H new ATOM 0 HH11 ARG A 32 2.712 -9.267 3.857 1.00 71.12 H new ATOM 0 HH12 ARG A 32 1.634 -10.416 4.655 1.00 71.12 H new ATOM 0 HH21 ARG A 32 -0.448 -10.829 1.840 1.00 71.22 H new ATOM 0 HH22 ARG A 32 -0.145 -11.296 3.517 1.00 71.22 H new ATOM 529 N THR A 33 1.629 -6.661 -1.432 1.00 20.24 N ATOM 530 CA THR A 33 0.334 -6.574 -2.136 1.00 33.12 C ATOM 531 C THR A 33 -0.778 -7.183 -1.268 1.00 3.14 C ATOM 532 O THR A 33 -0.559 -8.182 -0.559 1.00 54.32 O ATOM 533 CB THR A 33 0.390 -7.298 -3.527 1.00 63.34 C ATOM 534 OG1 THR A 33 0.738 -8.679 -3.353 1.00 13.05 O ATOM 535 CG2 THR A 33 1.402 -6.637 -4.486 1.00 2.13 C ATOM 0 H THR A 33 1.931 -7.617 -1.242 1.00 20.24 H new ATOM 0 HA THR A 33 0.117 -5.521 -2.314 1.00 33.12 H new ATOM 0 HB THR A 33 -0.602 -7.214 -3.971 1.00 63.34 H new ATOM 0 HG1 THR A 33 0.768 -9.121 -4.227 1.00 13.05 H new ATOM 0 HG21 THR A 33 1.406 -7.172 -5.436 1.00 2.13 H new ATOM 0 HG22 THR A 33 1.118 -5.599 -4.656 1.00 2.13 H new ATOM 0 HG23 THR A 33 2.398 -6.673 -4.045 1.00 2.13 H new ATOM 543 N ALA A 34 -1.958 -6.553 -1.307 1.00 55.12 N ATOM 544 CA ALA A 34 -3.167 -7.047 -0.646 1.00 60.31 C ATOM 545 C ALA A 34 -4.235 -7.337 -1.702 1.00 42.43 C ATOM 546 O ALA A 34 -4.781 -6.414 -2.317 1.00 13.43 O ATOM 547 CB ALA A 34 -3.678 -6.037 0.392 1.00 13.24 C ATOM 0 H ALA A 34 -2.100 -5.675 -1.806 1.00 55.12 H new ATOM 0 HA ALA A 34 -2.933 -7.968 -0.113 1.00 60.31 H new ATOM 0 HB1 ALA A 34 -4.577 -6.428 0.869 1.00 13.24 H new ATOM 0 HB2 ALA A 34 -2.910 -5.871 1.147 1.00 13.24 H new ATOM 0 HB3 ALA A 34 -3.911 -5.094 -0.102 1.00 13.24 H new ATOM 553 N THR A 35 -4.489 -8.628 -1.940 1.00 31.44 N ATOM 554 CA THR A 35 -5.564 -9.087 -2.839 1.00 31.24 C ATOM 555 C THR A 35 -6.817 -9.466 -2.026 1.00 71.13 C ATOM 556 O THR A 35 -7.912 -9.611 -2.585 1.00 20.25 O ATOM 557 CB THR A 35 -5.073 -10.286 -3.728 1.00 52.02 C ATOM 558 OG1 THR A 35 -6.073 -10.662 -4.688 1.00 11.33 O ATOM 559 CG2 THR A 35 -4.673 -11.516 -2.903 1.00 43.02 C ATOM 0 H THR A 35 -3.957 -9.388 -1.516 1.00 31.44 H new ATOM 0 HA THR A 35 -5.832 -8.270 -3.509 1.00 31.24 H new ATOM 0 HB THR A 35 -4.183 -9.928 -4.246 1.00 52.02 H new ATOM 0 HG1 THR A 35 -6.964 -10.513 -4.308 1.00 11.33 H new ATOM 0 HG21 THR A 35 -4.343 -12.311 -3.572 1.00 43.02 H new ATOM 0 HG22 THR A 35 -3.861 -11.251 -2.225 1.00 43.02 H new ATOM 0 HG23 THR A 35 -5.530 -11.861 -2.325 1.00 43.02 H new ATOM 567 N SER A 36 -6.636 -9.609 -0.700 1.00 72.34 N ATOM 568 CA SER A 36 -7.697 -9.989 0.235 1.00 2.55 C ATOM 569 C SER A 36 -7.488 -9.318 1.606 1.00 33.35 C ATOM 570 O SER A 36 -6.389 -8.831 1.925 1.00 44.31 O ATOM 571 CB SER A 36 -7.708 -11.534 0.404 1.00 71.33 C ATOM 572 OG SER A 36 -7.900 -12.201 -0.835 1.00 43.34 O ATOM 0 H SER A 36 -5.734 -9.460 -0.247 1.00 72.34 H new ATOM 0 HA SER A 36 -8.653 -9.654 -0.168 1.00 2.55 H new ATOM 0 HB2 SER A 36 -6.767 -11.857 0.848 1.00 71.33 H new ATOM 0 HB3 SER A 36 -8.501 -11.818 1.096 1.00 71.33 H new ATOM 0 HG SER A 36 -7.899 -13.170 -0.688 1.00 43.34 H new ATOM 578 N SER A 37 -8.563 -9.332 2.417 1.00 34.35 N ATOM 579 CA SER A 37 -8.515 -8.961 3.845 1.00 12.22 C ATOM 580 C SER A 37 -7.572 -9.899 4.637 1.00 0.40 C ATOM 581 O SER A 37 -7.075 -9.526 5.691 1.00 61.13 O ATOM 582 CB SER A 37 -9.936 -8.986 4.437 1.00 73.35 C ATOM 583 OG SER A 37 -10.570 -10.232 4.194 1.00 60.02 O ATOM 0 H SER A 37 -9.494 -9.602 2.099 1.00 34.35 H new ATOM 0 HA SER A 37 -8.114 -7.951 3.927 1.00 12.22 H new ATOM 0 HB2 SER A 37 -9.889 -8.802 5.510 1.00 73.35 H new ATOM 0 HB3 SER A 37 -10.529 -8.182 4.001 1.00 73.35 H new ATOM 0 HG SER A 37 -9.937 -10.960 4.366 1.00 60.02 H new ATOM 589 N GLN A 38 -7.341 -11.118 4.098 1.00 11.32 N ATOM 590 CA GLN A 38 -6.380 -12.092 4.652 1.00 63.20 C ATOM 591 C GLN A 38 -4.964 -11.501 4.659 1.00 64.10 C ATOM 592 O GLN A 38 -4.271 -11.540 5.688 1.00 55.40 O ATOM 593 CB GLN A 38 -6.408 -13.432 3.850 1.00 72.25 C ATOM 594 CG GLN A 38 -7.683 -14.294 4.034 1.00 42.22 C ATOM 595 CD GLN A 38 -8.962 -13.635 3.507 1.00 1.25 C ATOM 596 OE1 GLN A 38 -9.644 -12.877 4.356 1.00 63.25 O flip ATOM 597 NE2 GLN A 38 -9.333 -13.804 2.345 1.00 64.12 N flip ATOM 0 H GLN A 38 -7.820 -11.453 3.262 1.00 11.32 H new ATOM 0 HA GLN A 38 -6.675 -12.309 5.679 1.00 63.20 H new ATOM 0 HB2 GLN A 38 -6.295 -13.203 2.790 1.00 72.25 H new ATOM 0 HB3 GLN A 38 -5.543 -14.028 4.141 1.00 72.25 H new ATOM 0 HG2 GLN A 38 -7.541 -15.247 3.525 1.00 42.22 H new ATOM 0 HG3 GLN A 38 -7.810 -14.515 5.094 1.00 42.22 H new ATOM 0 HE21 GLN A 38 -8.787 -14.393 1.716 1.00 64.12 H new ATOM 0 HE22 GLN A 38 -10.186 -13.355 2.012 1.00 64.12 H new ATOM 606 N ASP A 39 -4.556 -10.952 3.492 1.00 52.34 N ATOM 607 CA ASP A 39 -3.263 -10.260 3.331 1.00 12.31 C ATOM 608 C ASP A 39 -3.199 -9.078 4.283 1.00 14.02 C ATOM 609 O ASP A 39 -2.260 -8.964 5.053 1.00 24.24 O ATOM 610 CB ASP A 39 -3.062 -9.746 1.884 1.00 30.51 C ATOM 611 CG ASP A 39 -3.149 -10.858 0.837 1.00 43.24 C ATOM 612 OD1 ASP A 39 -4.268 -11.141 0.366 1.00 35.41 O ATOM 613 OD2 ASP A 39 -2.100 -11.449 0.484 1.00 52.12 O ATOM 0 H ASP A 39 -5.115 -10.978 2.639 1.00 52.34 H new ATOM 0 HA ASP A 39 -2.474 -10.978 3.553 1.00 12.31 H new ATOM 0 HB2 ASP A 39 -3.815 -8.989 1.665 1.00 30.51 H new ATOM 0 HB3 ASP A 39 -2.090 -9.259 1.809 1.00 30.51 H new ATOM 618 N ILE A 40 -4.262 -8.254 4.234 1.00 4.12 N ATOM 619 CA ILE A 40 -4.391 -6.997 4.997 1.00 3.54 C ATOM 620 C ILE A 40 -4.117 -7.190 6.497 1.00 42.42 C ATOM 621 O ILE A 40 -3.229 -6.543 7.050 1.00 45.41 O ATOM 622 CB ILE A 40 -5.825 -6.385 4.729 1.00 53.34 C ATOM 623 CG1 ILE A 40 -5.848 -5.725 3.311 1.00 54.51 C ATOM 624 CG2 ILE A 40 -6.303 -5.412 5.835 1.00 71.13 C ATOM 625 CD1 ILE A 40 -7.198 -5.241 2.828 1.00 2.02 C ATOM 0 H ILE A 40 -5.075 -8.448 3.649 1.00 4.12 H new ATOM 0 HA ILE A 40 -3.630 -6.296 4.653 1.00 3.54 H new ATOM 0 HB ILE A 40 -6.544 -7.203 4.757 1.00 53.34 H new ATOM 0 HG12 ILE A 40 -5.160 -4.879 3.314 1.00 54.51 H new ATOM 0 HG13 ILE A 40 -5.463 -6.446 2.590 1.00 54.51 H new ATOM 0 HG21 ILE A 40 -7.293 -5.033 5.583 1.00 71.13 H new ATOM 0 HG22 ILE A 40 -6.348 -5.939 6.788 1.00 71.13 H new ATOM 0 HG23 ILE A 40 -5.604 -4.579 5.914 1.00 71.13 H new ATOM 0 HD11 ILE A 40 -7.094 -4.802 1.836 1.00 2.02 H new ATOM 0 HD12 ILE A 40 -7.891 -6.081 2.782 1.00 2.02 H new ATOM 0 HD13 ILE A 40 -7.583 -4.490 3.518 1.00 2.02 H new ATOM 637 N ARG A 41 -4.859 -8.108 7.125 1.00 53.01 N ATOM 638 CA ARG A 41 -4.751 -8.378 8.569 1.00 11.34 C ATOM 639 C ARG A 41 -3.339 -8.846 8.924 1.00 42.31 C ATOM 640 O ARG A 41 -2.760 -8.361 9.891 1.00 13.43 O ATOM 641 CB ARG A 41 -5.827 -9.411 8.984 1.00 75.11 C ATOM 642 CG ARG A 41 -7.249 -8.862 8.801 1.00 5.24 C ATOM 643 CD ARG A 41 -8.355 -9.876 9.087 1.00 15.52 C ATOM 644 NE ARG A 41 -9.674 -9.236 8.927 1.00 75.34 N ATOM 645 CZ ARG A 41 -10.650 -9.653 8.111 1.00 64.31 C ATOM 646 NH1 ARG A 41 -10.496 -10.739 7.352 1.00 72.54 N ATOM 647 NH2 ARG A 41 -11.772 -8.965 8.040 1.00 11.04 N ATOM 0 H ARG A 41 -5.552 -8.686 6.650 1.00 53.01 H new ATOM 0 HA ARG A 41 -4.931 -7.459 9.127 1.00 11.34 H new ATOM 0 HB2 ARG A 41 -5.709 -10.317 8.390 1.00 75.11 H new ATOM 0 HB3 ARG A 41 -5.678 -9.692 10.027 1.00 75.11 H new ATOM 0 HG2 ARG A 41 -7.381 -8.002 9.458 1.00 5.24 H new ATOM 0 HG3 ARG A 41 -7.358 -8.501 7.778 1.00 5.24 H new ATOM 0 HD2 ARG A 41 -8.268 -10.724 8.408 1.00 15.52 H new ATOM 0 HD3 ARG A 41 -8.250 -10.266 10.099 1.00 15.52 H new ATOM 0 HE ARG A 41 -9.859 -8.403 9.487 1.00 75.34 H new ATOM 0 HH11 ARG A 41 -9.624 -11.267 7.387 1.00 72.54 H new ATOM 0 HH12 ARG A 41 -11.251 -11.042 6.736 1.00 72.54 H new ATOM 0 HH21 ARG A 41 -11.891 -8.123 8.604 1.00 11.04 H new ATOM 0 HH22 ARG A 41 -12.522 -9.274 7.421 1.00 11.04 H new ATOM 661 N ASP A 42 -2.788 -9.741 8.087 1.00 11.03 N ATOM 662 CA ASP A 42 -1.401 -10.231 8.203 1.00 54.21 C ATOM 663 C ASP A 42 -0.391 -9.057 8.143 1.00 25.11 C ATOM 664 O ASP A 42 0.607 -9.055 8.873 1.00 2.11 O ATOM 665 CB ASP A 42 -1.138 -11.271 7.069 1.00 74.32 C ATOM 666 CG ASP A 42 0.295 -11.828 7.041 1.00 5.22 C ATOM 667 OD1 ASP A 42 0.600 -12.752 7.821 1.00 22.21 O ATOM 668 OD2 ASP A 42 1.120 -11.346 6.239 1.00 3.35 O ATOM 0 H ASP A 42 -3.296 -10.150 7.303 1.00 11.03 H new ATOM 0 HA ASP A 42 -1.264 -10.716 9.170 1.00 54.21 H new ATOM 0 HB2 ASP A 42 -1.836 -12.101 7.184 1.00 74.32 H new ATOM 0 HB3 ASP A 42 -1.353 -10.805 6.107 1.00 74.32 H new ATOM 673 N ILE A 43 -0.679 -8.055 7.283 1.00 53.55 N ATOM 674 CA ILE A 43 0.175 -6.868 7.088 1.00 40.03 C ATOM 675 C ILE A 43 0.202 -6.027 8.376 1.00 31.21 C ATOM 676 O ILE A 43 1.277 -5.734 8.918 1.00 64.24 O ATOM 677 CB ILE A 43 -0.363 -6.018 5.864 1.00 20.32 C ATOM 678 CG1 ILE A 43 -0.176 -6.791 4.518 1.00 32.12 C ATOM 679 CG2 ILE A 43 0.277 -4.620 5.787 1.00 75.40 C ATOM 680 CD1 ILE A 43 -0.970 -6.232 3.339 1.00 24.32 C ATOM 0 H ILE A 43 -1.517 -8.050 6.702 1.00 53.55 H new ATOM 0 HA ILE A 43 1.194 -7.183 6.865 1.00 40.03 H new ATOM 0 HB ILE A 43 -1.429 -5.868 6.033 1.00 20.32 H new ATOM 0 HG12 ILE A 43 0.883 -6.788 4.258 1.00 32.12 H new ATOM 0 HG13 ILE A 43 -0.464 -7.831 4.670 1.00 32.12 H new ATOM 0 HG21 ILE A 43 -0.128 -4.081 4.930 1.00 75.40 H new ATOM 0 HG22 ILE A 43 0.056 -4.068 6.700 1.00 75.40 H new ATOM 0 HG23 ILE A 43 1.357 -4.720 5.676 1.00 75.40 H new ATOM 0 HD11 ILE A 43 -0.775 -6.834 2.451 1.00 24.32 H new ATOM 0 HD12 ILE A 43 -2.035 -6.261 3.571 1.00 24.32 H new ATOM 0 HD13 ILE A 43 -0.667 -5.202 3.152 1.00 24.32 H new ATOM 692 N ILE A 44 -1.003 -5.701 8.876 1.00 71.01 N ATOM 693 CA ILE A 44 -1.203 -4.834 10.052 1.00 33.11 C ATOM 694 C ILE A 44 -0.593 -5.481 11.315 1.00 21.21 C ATOM 695 O ILE A 44 0.018 -4.780 12.115 1.00 41.42 O ATOM 696 CB ILE A 44 -2.738 -4.503 10.240 1.00 4.05 C ATOM 697 CG1 ILE A 44 -3.291 -3.786 8.959 1.00 72.41 C ATOM 698 CG2 ILE A 44 -3.004 -3.652 11.514 1.00 41.20 C ATOM 699 CD1 ILE A 44 -4.785 -3.496 8.963 1.00 4.21 C ATOM 0 H ILE A 44 -1.877 -6.036 8.470 1.00 71.01 H new ATOM 0 HA ILE A 44 -0.682 -3.891 9.887 1.00 33.11 H new ATOM 0 HB ILE A 44 -3.268 -5.445 10.378 1.00 4.05 H new ATOM 0 HG12 ILE A 44 -2.756 -2.845 8.832 1.00 72.41 H new ATOM 0 HG13 ILE A 44 -3.061 -4.403 8.091 1.00 72.41 H new ATOM 0 HG21 ILE A 44 -4.072 -3.450 11.600 1.00 41.20 H new ATOM 0 HG22 ILE A 44 -2.666 -4.199 12.394 1.00 41.20 H new ATOM 0 HG23 ILE A 44 -2.461 -2.709 11.442 1.00 41.20 H new ATOM 0 HD11 ILE A 44 -5.062 -3.000 8.033 1.00 4.21 H new ATOM 0 HD12 ILE A 44 -5.337 -4.432 9.053 1.00 4.21 H new ATOM 0 HD13 ILE A 44 -5.028 -2.849 9.806 1.00 4.21 H new ATOM 711 N LYS A 45 -0.707 -6.831 11.429 1.00 24.02 N ATOM 712 CA LYS A 45 -0.107 -7.623 12.536 1.00 51.01 C ATOM 713 C LYS A 45 1.397 -7.325 12.692 1.00 73.41 C ATOM 714 O LYS A 45 1.886 -7.103 13.806 1.00 50.32 O ATOM 715 CB LYS A 45 -0.319 -9.148 12.302 1.00 30.11 C ATOM 716 CG LYS A 45 -1.770 -9.642 12.481 1.00 34.24 C ATOM 717 CD LYS A 45 -1.949 -11.121 12.044 1.00 41.24 C ATOM 718 CE LYS A 45 -3.412 -11.583 12.088 1.00 0.15 C ATOM 719 NZ LYS A 45 -3.578 -12.981 11.606 1.00 1.54 N ATOM 0 H LYS A 45 -1.218 -7.401 10.755 1.00 24.02 H new ATOM 0 HA LYS A 45 -0.613 -7.329 13.456 1.00 51.01 H new ATOM 0 HB2 LYS A 45 0.010 -9.394 11.293 1.00 30.11 H new ATOM 0 HB3 LYS A 45 0.323 -9.698 12.990 1.00 30.11 H new ATOM 0 HG2 LYS A 45 -2.060 -9.537 13.526 1.00 34.24 H new ATOM 0 HG3 LYS A 45 -2.441 -9.010 11.899 1.00 34.24 H new ATOM 0 HD2 LYS A 45 -1.564 -11.245 11.032 1.00 41.24 H new ATOM 0 HD3 LYS A 45 -1.351 -11.761 12.693 1.00 41.24 H new ATOM 0 HE2 LYS A 45 -3.784 -11.507 13.110 1.00 0.15 H new ATOM 0 HE3 LYS A 45 -4.020 -10.916 11.477 1.00 0.15 H new ATOM 0 HZ1 LYS A 45 -4.582 -13.248 11.654 1.00 1.54 H new ATOM 0 HZ2 LYS A 45 -3.248 -13.050 10.622 1.00 1.54 H new ATOM 0 HZ3 LYS A 45 -3.020 -13.623 12.204 1.00 1.54 H new ATOM 733 N SER A 46 2.105 -7.306 11.551 1.00 34.12 N ATOM 734 CA SER A 46 3.543 -7.021 11.503 1.00 42.33 C ATOM 735 C SER A 46 3.821 -5.529 11.759 1.00 11.21 C ATOM 736 O SER A 46 4.797 -5.182 12.440 1.00 40.34 O ATOM 737 CB SER A 46 4.117 -7.458 10.132 1.00 34.40 C ATOM 738 OG SER A 46 5.506 -7.183 10.018 1.00 71.21 O ATOM 0 H SER A 46 1.693 -7.489 10.636 1.00 34.12 H new ATOM 0 HA SER A 46 4.037 -7.588 12.292 1.00 42.33 H new ATOM 0 HB2 SER A 46 3.947 -8.526 9.993 1.00 34.40 H new ATOM 0 HB3 SER A 46 3.580 -6.944 9.335 1.00 34.40 H new ATOM 0 HG SER A 46 5.826 -7.476 9.139 1.00 71.21 H new ATOM 744 N MET A 47 2.935 -4.660 11.242 1.00 71.21 N ATOM 745 CA MET A 47 3.133 -3.203 11.287 1.00 72.20 C ATOM 746 C MET A 47 2.958 -2.645 12.710 1.00 34.54 C ATOM 747 O MET A 47 3.596 -1.654 13.039 1.00 11.52 O ATOM 748 CB MET A 47 2.190 -2.484 10.285 1.00 64.04 C ATOM 749 CG MET A 47 2.524 -2.756 8.808 1.00 63.04 C ATOM 750 SD MET A 47 4.226 -2.316 8.373 1.00 33.25 S ATOM 751 CE MET A 47 4.249 -0.548 8.680 1.00 11.31 C ATOM 0 H MET A 47 2.069 -4.946 10.785 1.00 71.21 H new ATOM 0 HA MET A 47 4.162 -3.005 10.988 1.00 72.20 H new ATOM 0 HB2 MET A 47 1.164 -2.797 10.479 1.00 64.04 H new ATOM 0 HB3 MET A 47 2.235 -1.410 10.466 1.00 64.04 H new ATOM 0 HG2 MET A 47 2.362 -3.812 8.593 1.00 63.04 H new ATOM 0 HG3 MET A 47 1.837 -2.193 8.176 1.00 63.04 H new ATOM 0 HE1 MET A 47 4.405 -0.018 7.741 1.00 11.31 H new ATOM 0 HE2 MET A 47 3.298 -0.242 9.116 1.00 11.31 H new ATOM 0 HE3 MET A 47 5.058 -0.309 9.370 1.00 11.31 H new ATOM 761 N LYS A 48 2.122 -3.304 13.556 1.00 2.23 N ATOM 762 CA LYS A 48 1.891 -2.858 14.958 1.00 4.02 C ATOM 763 C LYS A 48 3.212 -2.854 15.749 1.00 72.11 C ATOM 764 O LYS A 48 3.525 -1.890 16.462 1.00 41.41 O ATOM 765 CB LYS A 48 0.862 -3.761 15.695 1.00 3.43 C ATOM 766 CG LYS A 48 -0.516 -3.842 15.020 1.00 41.25 C ATOM 767 CD LYS A 48 -1.547 -4.664 15.829 1.00 73.40 C ATOM 768 CE LYS A 48 -1.166 -6.144 15.976 1.00 2.52 C ATOM 769 NZ LYS A 48 -2.193 -6.909 16.725 1.00 42.44 N ATOM 0 H LYS A 48 1.600 -4.140 13.295 1.00 2.23 H new ATOM 0 HA LYS A 48 1.486 -1.847 14.905 1.00 4.02 H new ATOM 0 HB2 LYS A 48 1.273 -4.767 15.775 1.00 3.43 H new ATOM 0 HB3 LYS A 48 0.733 -3.388 16.711 1.00 3.43 H new ATOM 0 HG2 LYS A 48 -0.901 -2.833 14.874 1.00 41.25 H new ATOM 0 HG3 LYS A 48 -0.403 -4.287 14.031 1.00 41.25 H new ATOM 0 HD2 LYS A 48 -1.654 -4.224 16.820 1.00 73.40 H new ATOM 0 HD3 LYS A 48 -2.520 -4.593 15.342 1.00 73.40 H new ATOM 0 HE2 LYS A 48 -1.034 -6.585 14.988 1.00 2.52 H new ATOM 0 HE3 LYS A 48 -0.208 -6.223 16.490 1.00 2.52 H new ATOM 0 HZ1 LYS A 48 -1.898 -7.903 16.802 1.00 42.44 H new ATOM 0 HZ2 LYS A 48 -2.301 -6.505 17.677 1.00 42.44 H new ATOM 0 HZ3 LYS A 48 -3.101 -6.856 16.221 1.00 42.44 H new ATOM 816 N LYS A 52 8.657 0.746 10.865 1.00 65.05 N ATOM 817 CA LYS A 52 9.098 0.942 9.471 1.00 0.10 C ATOM 818 C LYS A 52 7.968 1.560 8.618 1.00 64.25 C ATOM 819 O LYS A 52 6.800 1.541 9.025 1.00 23.35 O ATOM 820 CB LYS A 52 9.499 -0.426 8.845 1.00 3.22 C ATOM 821 CG LYS A 52 10.658 -1.155 9.552 1.00 31.32 C ATOM 822 CD LYS A 52 10.969 -2.535 8.918 1.00 62.12 C ATOM 823 CE LYS A 52 9.774 -3.500 8.996 1.00 72.44 C ATOM 824 NZ LYS A 52 10.075 -4.829 8.406 1.00 64.33 N ATOM 0 HA LYS A 52 9.953 1.618 9.481 1.00 0.10 H new ATOM 0 HB2 LYS A 52 8.626 -1.078 8.846 1.00 3.22 H new ATOM 0 HB3 LYS A 52 9.774 -0.264 7.803 1.00 3.22 H new ATOM 0 HG2 LYS A 52 11.552 -0.532 9.514 1.00 31.32 H new ATOM 0 HG3 LYS A 52 10.409 -1.291 10.604 1.00 31.32 H new ATOM 0 HD2 LYS A 52 11.253 -2.397 7.875 1.00 62.12 H new ATOM 0 HD3 LYS A 52 11.825 -2.980 9.425 1.00 62.12 H new ATOM 0 HE2 LYS A 52 9.481 -3.627 10.038 1.00 72.44 H new ATOM 0 HE3 LYS A 52 8.922 -3.061 8.477 1.00 72.44 H new ATOM 0 HZ1 LYS A 52 9.238 -5.441 8.484 1.00 64.33 H new ATOM 0 HZ2 LYS A 52 10.328 -4.715 7.404 1.00 64.33 H new ATOM 0 HZ3 LYS A 52 10.870 -5.263 8.917 1.00 64.33 H new ATOM 838 N PRO A 53 8.301 2.130 7.420 1.00 51.51 N ATOM 839 CA PRO A 53 7.298 2.399 6.373 1.00 21.34 C ATOM 840 C PRO A 53 6.943 1.112 5.596 1.00 22.11 C ATOM 841 O PRO A 53 7.596 0.070 5.762 1.00 43.20 O ATOM 842 CB PRO A 53 7.997 3.441 5.475 1.00 5.22 C ATOM 843 CG PRO A 53 9.448 3.071 5.569 1.00 5.00 C ATOM 844 CD PRO A 53 9.654 2.605 7.004 1.00 65.21 C ATOM 0 HA PRO A 53 6.347 2.757 6.768 1.00 21.34 H new ATOM 0 HB2 PRO A 53 7.636 3.391 4.448 1.00 5.22 H new ATOM 0 HB3 PRO A 53 7.819 4.457 5.827 1.00 5.22 H new ATOM 0 HG2 PRO A 53 9.699 2.282 4.860 1.00 5.00 H new ATOM 0 HG3 PRO A 53 10.087 3.923 5.337 1.00 5.00 H new ATOM 0 HD2 PRO A 53 10.394 1.807 7.063 1.00 65.21 H new ATOM 0 HD3 PRO A 53 10.007 3.416 7.641 1.00 65.21 H new ATOM 852 N LEU A 54 5.910 1.195 4.752 1.00 65.12 N ATOM 853 CA LEU A 54 5.447 0.056 3.940 1.00 24.41 C ATOM 854 C LEU A 54 4.628 0.586 2.755 1.00 12.43 C ATOM 855 O LEU A 54 4.218 1.743 2.760 1.00 5.01 O ATOM 856 CB LEU A 54 4.601 -0.932 4.803 1.00 12.34 C ATOM 857 CG LEU A 54 4.491 -2.392 4.250 1.00 54.52 C ATOM 858 CD1 LEU A 54 5.863 -3.091 4.257 1.00 64.33 C ATOM 859 CD2 LEU A 54 3.450 -3.213 5.025 1.00 71.10 C ATOM 0 H LEU A 54 5.370 2.049 4.610 1.00 65.12 H new ATOM 0 HA LEU A 54 6.310 -0.494 3.564 1.00 24.41 H new ATOM 0 HB2 LEU A 54 5.033 -0.973 5.803 1.00 12.34 H new ATOM 0 HB3 LEU A 54 3.595 -0.525 4.907 1.00 12.34 H new ATOM 0 HG LEU A 54 4.151 -2.325 3.216 1.00 54.52 H new ATOM 0 HD11 LEU A 54 5.757 -4.104 3.868 1.00 64.33 H new ATOM 0 HD12 LEU A 54 6.559 -2.533 3.631 1.00 64.33 H new ATOM 0 HD13 LEU A 54 6.245 -3.132 5.277 1.00 64.33 H new ATOM 0 HD21 LEU A 54 3.401 -4.221 4.613 1.00 71.10 H new ATOM 0 HD22 LEU A 54 3.736 -3.264 6.076 1.00 71.10 H new ATOM 0 HD23 LEU A 54 2.473 -2.738 4.937 1.00 71.10 H new ATOM 871 N VAL A 55 4.375 -0.268 1.751 1.00 2.10 N ATOM 872 CA VAL A 55 3.621 0.097 0.536 1.00 45.43 C ATOM 873 C VAL A 55 2.734 -1.098 0.152 1.00 4.42 C ATOM 874 O VAL A 55 3.238 -2.107 -0.340 1.00 52.14 O ATOM 875 CB VAL A 55 4.555 0.472 -0.684 1.00 54.21 C ATOM 876 CG1 VAL A 55 3.720 0.871 -1.920 1.00 51.54 C ATOM 877 CG2 VAL A 55 5.560 1.592 -0.325 1.00 12.13 C ATOM 0 H VAL A 55 4.689 -1.238 1.757 1.00 2.10 H new ATOM 0 HA VAL A 55 3.030 0.985 0.759 1.00 45.43 H new ATOM 0 HB VAL A 55 5.132 -0.420 -0.927 1.00 54.21 H new ATOM 0 HG11 VAL A 55 4.387 1.124 -2.744 1.00 51.54 H new ATOM 0 HG12 VAL A 55 3.082 0.037 -2.213 1.00 51.54 H new ATOM 0 HG13 VAL A 55 3.100 1.734 -1.677 1.00 51.54 H new ATOM 0 HG21 VAL A 55 6.180 1.816 -1.193 1.00 12.13 H new ATOM 0 HG22 VAL A 55 5.015 2.488 -0.027 1.00 12.13 H new ATOM 0 HG23 VAL A 55 6.194 1.262 0.498 1.00 12.13 H new ATOM 887 N VAL A 56 1.431 -0.991 0.433 1.00 3.04 N ATOM 888 CA VAL A 56 0.446 -2.053 0.160 1.00 45.23 C ATOM 889 C VAL A 56 -0.367 -1.731 -1.109 1.00 74.53 C ATOM 890 O VAL A 56 -1.161 -0.789 -1.134 1.00 11.44 O ATOM 891 CB VAL A 56 -0.493 -2.265 1.405 1.00 61.41 C ATOM 892 CG1 VAL A 56 -1.693 -3.189 1.093 1.00 15.30 C ATOM 893 CG2 VAL A 56 0.325 -2.823 2.595 1.00 1.42 C ATOM 0 H VAL A 56 1.023 -0.159 0.860 1.00 3.04 H new ATOM 0 HA VAL A 56 0.981 -2.986 -0.019 1.00 45.23 H new ATOM 0 HB VAL A 56 -0.906 -1.292 1.670 1.00 61.41 H new ATOM 0 HG11 VAL A 56 -2.308 -3.301 1.986 1.00 15.30 H new ATOM 0 HG12 VAL A 56 -2.291 -2.751 0.293 1.00 15.30 H new ATOM 0 HG13 VAL A 56 -1.327 -4.167 0.779 1.00 15.30 H new ATOM 0 HG21 VAL A 56 -0.332 -2.967 3.453 1.00 1.42 H new ATOM 0 HG22 VAL A 56 0.770 -3.778 2.315 1.00 1.42 H new ATOM 0 HG23 VAL A 56 1.114 -2.118 2.857 1.00 1.42 H new ATOM 903 N PHE A 57 -0.140 -2.541 -2.154 1.00 24.12 N ATOM 904 CA PHE A 57 -0.842 -2.445 -3.438 1.00 32.54 C ATOM 905 C PHE A 57 -2.169 -3.234 -3.374 1.00 40.52 C ATOM 906 O PHE A 57 -2.163 -4.471 -3.372 1.00 10.11 O ATOM 907 CB PHE A 57 0.062 -2.989 -4.577 1.00 2.35 C ATOM 908 CG PHE A 57 1.286 -2.121 -4.882 1.00 12.42 C ATOM 909 CD1 PHE A 57 1.192 -1.059 -5.782 1.00 24.34 C ATOM 910 CD2 PHE A 57 2.523 -2.363 -4.280 1.00 13.41 C ATOM 911 CE1 PHE A 57 2.285 -0.270 -6.065 1.00 63.34 C ATOM 912 CE2 PHE A 57 3.618 -1.568 -4.569 1.00 32.12 C ATOM 913 CZ PHE A 57 3.498 -0.523 -5.459 1.00 61.13 C ATOM 0 H PHE A 57 0.549 -3.293 -2.128 1.00 24.12 H new ATOM 0 HA PHE A 57 -1.070 -1.399 -3.645 1.00 32.54 H new ATOM 0 HB2 PHE A 57 0.399 -3.990 -4.310 1.00 2.35 H new ATOM 0 HB3 PHE A 57 -0.535 -3.085 -5.484 1.00 2.35 H new ATOM 0 HD1 PHE A 57 0.248 -0.852 -6.264 1.00 24.34 H new ATOM 0 HD2 PHE A 57 2.626 -3.180 -3.581 1.00 13.41 H new ATOM 0 HE1 PHE A 57 2.192 0.549 -6.763 1.00 63.34 H new ATOM 0 HE2 PHE A 57 4.568 -1.767 -4.096 1.00 32.12 H new ATOM 0 HZ PHE A 57 4.353 0.098 -5.682 1.00 61.13 H new ATOM 923 N VAL A 58 -3.290 -2.500 -3.304 1.00 43.30 N ATOM 924 CA VAL A 58 -4.645 -3.077 -3.287 1.00 24.25 C ATOM 925 C VAL A 58 -5.026 -3.537 -4.707 1.00 1.03 C ATOM 926 O VAL A 58 -5.529 -2.749 -5.518 1.00 62.01 O ATOM 927 CB VAL A 58 -5.710 -2.052 -2.746 1.00 34.24 C ATOM 928 CG1 VAL A 58 -7.123 -2.680 -2.671 1.00 51.05 C ATOM 929 CG2 VAL A 58 -5.284 -1.486 -1.377 1.00 32.24 C ATOM 0 H VAL A 58 -3.283 -1.481 -3.257 1.00 43.30 H new ATOM 0 HA VAL A 58 -4.640 -3.931 -2.610 1.00 24.25 H new ATOM 0 HB VAL A 58 -5.758 -1.226 -3.456 1.00 34.24 H new ATOM 0 HG11 VAL A 58 -7.830 -1.941 -2.293 1.00 51.05 H new ATOM 0 HG12 VAL A 58 -7.431 -3.002 -3.666 1.00 51.05 H new ATOM 0 HG13 VAL A 58 -7.104 -3.540 -2.001 1.00 51.05 H new ATOM 0 HG21 VAL A 58 -6.036 -0.780 -1.025 1.00 32.24 H new ATOM 0 HG22 VAL A 58 -5.188 -2.301 -0.660 1.00 32.24 H new ATOM 0 HG23 VAL A 58 -4.326 -0.975 -1.476 1.00 32.24 H new ATOM 939 N ASN A 59 -4.737 -4.808 -5.004 1.00 31.13 N ATOM 940 CA ASN A 59 -4.975 -5.404 -6.328 1.00 54.43 C ATOM 941 C ASN A 59 -6.114 -6.426 -6.224 1.00 44.04 C ATOM 942 O ASN A 59 -5.958 -7.456 -5.567 1.00 50.14 O ATOM 943 CB ASN A 59 -3.673 -6.079 -6.850 1.00 40.14 C ATOM 944 CG ASN A 59 -3.812 -6.666 -8.260 1.00 71.32 C ATOM 945 OD1 ASN A 59 -4.551 -6.147 -9.097 1.00 41.23 O ATOM 946 ND2 ASN A 59 -3.113 -7.762 -8.529 1.00 2.54 N ATOM 0 H ASN A 59 -4.329 -5.458 -4.331 1.00 31.13 H new ATOM 0 HA ASN A 59 -5.261 -4.626 -7.036 1.00 54.43 H new ATOM 0 HB2 ASN A 59 -2.867 -5.345 -6.848 1.00 40.14 H new ATOM 0 HB3 ASN A 59 -3.383 -6.873 -6.161 1.00 40.14 H new ATOM 0 HD21 ASN A 59 -3.180 -8.197 -9.449 1.00 2.54 H new ATOM 0 HD22 ASN A 59 -2.509 -8.170 -7.815 1.00 2.54 H new ATOM 953 N GLY A 60 -7.267 -6.118 -6.841 1.00 61.04 N ATOM 954 CA GLY A 60 -8.425 -7.026 -6.852 1.00 21.23 C ATOM 955 C GLY A 60 -9.350 -6.864 -5.641 1.00 42.11 C ATOM 956 O GLY A 60 -10.574 -6.984 -5.781 1.00 44.24 O ATOM 0 H GLY A 60 -7.422 -5.242 -7.341 1.00 61.04 H new ATOM 0 HA2 GLY A 60 -9.000 -6.855 -7.762 1.00 21.23 H new ATOM 0 HA3 GLY A 60 -8.068 -8.055 -6.889 1.00 21.23 H new ATOM 960 N ALA A 61 -8.760 -6.616 -4.449 1.00 32.41 N ATOM 961 CA ALA A 61 -9.515 -6.380 -3.198 1.00 24.14 C ATOM 962 C ALA A 61 -10.431 -5.147 -3.338 1.00 53.25 C ATOM 963 O ALA A 61 -9.966 -4.058 -3.697 1.00 11.11 O ATOM 964 CB ALA A 61 -8.550 -6.205 -2.013 1.00 2.54 C ATOM 0 H ALA A 61 -7.748 -6.574 -4.328 1.00 32.41 H new ATOM 0 HA ALA A 61 -10.143 -7.250 -3.007 1.00 24.14 H new ATOM 0 HB1 ALA A 61 -9.121 -6.032 -1.101 1.00 2.54 H new ATOM 0 HB2 ALA A 61 -7.947 -7.106 -1.899 1.00 2.54 H new ATOM 0 HB3 ALA A 61 -7.897 -5.353 -2.199 1.00 2.54 H new ATOM 970 N SER A 62 -11.727 -5.342 -3.064 1.00 11.03 N ATOM 971 CA SER A 62 -12.757 -4.306 -3.243 1.00 34.11 C ATOM 972 C SER A 62 -12.760 -3.323 -2.047 1.00 54.31 C ATOM 973 O SER A 62 -12.001 -3.495 -1.077 1.00 42.20 O ATOM 974 CB SER A 62 -14.146 -4.978 -3.430 1.00 53.02 C ATOM 975 OG SER A 62 -15.154 -4.037 -3.766 1.00 64.43 O ATOM 0 H SER A 62 -12.094 -6.226 -2.710 1.00 11.03 H new ATOM 0 HA SER A 62 -12.531 -3.726 -4.138 1.00 34.11 H new ATOM 0 HB2 SER A 62 -14.080 -5.733 -4.213 1.00 53.02 H new ATOM 0 HB3 SER A 62 -14.425 -5.495 -2.512 1.00 53.02 H new ATOM 0 HG SER A 62 -16.010 -4.500 -3.876 1.00 64.43 H new ATOM 981 N GLN A 63 -13.645 -2.300 -2.126 1.00 54.11 N ATOM 982 CA GLN A 63 -13.742 -1.210 -1.133 1.00 34.51 C ATOM 983 C GLN A 63 -14.054 -1.747 0.282 1.00 55.01 C ATOM 984 O GLN A 63 -13.679 -1.116 1.276 1.00 12.44 O ATOM 985 CB GLN A 63 -14.793 -0.149 -1.586 1.00 60.33 C ATOM 986 CG GLN A 63 -14.890 1.097 -0.670 1.00 45.21 C ATOM 987 CD GLN A 63 -13.565 1.869 -0.535 1.00 14.14 C ATOM 988 OE1 GLN A 63 -12.758 1.935 -1.461 1.00 53.41 O ATOM 989 NE2 GLN A 63 -13.322 2.430 0.629 1.00 12.24 N ATOM 0 H GLN A 63 -14.316 -2.210 -2.889 1.00 54.11 H new ATOM 0 HA GLN A 63 -12.769 -0.723 -1.077 1.00 34.51 H new ATOM 0 HB2 GLN A 63 -14.547 0.178 -2.596 1.00 60.33 H new ATOM 0 HB3 GLN A 63 -15.772 -0.625 -1.634 1.00 60.33 H new ATOM 0 HG2 GLN A 63 -15.653 1.768 -1.064 1.00 45.21 H new ATOM 0 HG3 GLN A 63 -15.221 0.784 0.320 1.00 45.21 H new ATOM 0 HE21 GLN A 63 -14.007 2.361 1.381 1.00 12.24 H new ATOM 0 HE22 GLN A 63 -12.448 2.934 0.780 1.00 12.24 H new ATOM 998 N ASN A 64 -14.712 -2.923 0.351 1.00 3.14 N ATOM 999 CA ASN A 64 -14.943 -3.653 1.615 1.00 13.34 C ATOM 1000 C ASN A 64 -13.610 -3.875 2.357 1.00 63.44 C ATOM 1001 O ASN A 64 -13.444 -3.417 3.490 1.00 65.50 O ATOM 1002 CB ASN A 64 -15.645 -5.013 1.338 1.00 14.35 C ATOM 1003 CG ASN A 64 -15.758 -5.913 2.581 1.00 4.34 C ATOM 1004 OD1 ASN A 64 -16.706 -5.809 3.357 1.00 23.44 O ATOM 1005 ND2 ASN A 64 -14.782 -6.791 2.782 1.00 72.43 N ATOM 0 H ASN A 64 -15.098 -3.393 -0.468 1.00 3.14 H new ATOM 0 HA ASN A 64 -15.596 -3.052 2.248 1.00 13.34 H new ATOM 0 HB2 ASN A 64 -16.644 -4.823 0.945 1.00 14.35 H new ATOM 0 HB3 ASN A 64 -15.094 -5.546 0.563 1.00 14.35 H new ATOM 0 HD21 ASN A 64 -14.806 -7.402 3.598 1.00 72.43 H new ATOM 0 HD22 ASN A 64 -14.008 -6.854 2.120 1.00 72.43 H new ATOM 1012 N ASP A 65 -12.650 -4.502 1.657 1.00 24.21 N ATOM 1013 CA ASP A 65 -11.348 -4.900 2.239 1.00 24.03 C ATOM 1014 C ASP A 65 -10.503 -3.649 2.537 1.00 5.31 C ATOM 1015 O ASP A 65 -9.781 -3.603 3.534 1.00 12.35 O ATOM 1016 CB ASP A 65 -10.586 -5.846 1.279 1.00 74.12 C ATOM 1017 CG ASP A 65 -11.435 -7.040 0.820 1.00 44.32 C ATOM 1018 OD1 ASP A 65 -12.285 -6.854 -0.083 1.00 70.14 O ATOM 1019 OD2 ASP A 65 -11.289 -8.161 1.366 1.00 3.03 O ATOM 0 H ASP A 65 -12.750 -4.749 0.672 1.00 24.21 H new ATOM 0 HA ASP A 65 -11.532 -5.435 3.171 1.00 24.03 H new ATOM 0 HB2 ASP A 65 -10.258 -5.282 0.406 1.00 74.12 H new ATOM 0 HB3 ASP A 65 -9.688 -6.214 1.776 1.00 74.12 H new ATOM 1024 N VAL A 66 -10.634 -2.639 1.656 1.00 13.25 N ATOM 1025 CA VAL A 66 -9.977 -1.322 1.808 1.00 2.04 C ATOM 1026 C VAL A 66 -10.395 -0.652 3.139 1.00 72.42 C ATOM 1027 O VAL A 66 -9.553 -0.122 3.873 1.00 55.34 O ATOM 1028 CB VAL A 66 -10.341 -0.387 0.589 1.00 41.11 C ATOM 1029 CG1 VAL A 66 -9.814 1.056 0.770 1.00 74.41 C ATOM 1030 CG2 VAL A 66 -9.825 -0.991 -0.743 1.00 34.14 C ATOM 0 H VAL A 66 -11.202 -2.712 0.812 1.00 13.25 H new ATOM 0 HA VAL A 66 -8.898 -1.476 1.825 1.00 2.04 H new ATOM 0 HB VAL A 66 -11.429 -0.328 0.553 1.00 41.11 H new ATOM 0 HG11 VAL A 66 -10.092 1.656 -0.096 1.00 74.41 H new ATOM 0 HG12 VAL A 66 -10.250 1.492 1.669 1.00 74.41 H new ATOM 0 HG13 VAL A 66 -8.728 1.038 0.865 1.00 74.41 H new ATOM 0 HG21 VAL A 66 -10.088 -0.329 -1.568 1.00 34.14 H new ATOM 0 HG22 VAL A 66 -8.742 -1.101 -0.697 1.00 34.14 H new ATOM 0 HG23 VAL A 66 -10.283 -1.968 -0.901 1.00 34.14 H new ATOM 1040 N ASN A 67 -11.708 -0.703 3.434 1.00 21.54 N ATOM 1041 CA ASN A 67 -12.285 -0.160 4.681 1.00 52.44 C ATOM 1042 C ASN A 67 -11.839 -0.975 5.901 1.00 22.41 C ATOM 1043 O ASN A 67 -11.603 -0.403 6.969 1.00 64.30 O ATOM 1044 CB ASN A 67 -13.835 -0.116 4.602 1.00 45.44 C ATOM 1045 CG ASN A 67 -14.349 0.913 3.596 1.00 33.33 C ATOM 1046 OD1 ASN A 67 -13.776 1.993 3.443 1.00 11.13 O ATOM 1047 ND2 ASN A 67 -15.409 0.576 2.886 1.00 65.35 N ATOM 0 H ASN A 67 -12.401 -1.122 2.814 1.00 21.54 H new ATOM 0 HA ASN A 67 -11.914 0.858 4.797 1.00 52.44 H new ATOM 0 HB2 ASN A 67 -14.208 -1.103 4.328 1.00 45.44 H new ATOM 0 HB3 ASN A 67 -14.238 0.115 5.588 1.00 45.44 H new ATOM 0 HD21 ASN A 67 -15.778 1.218 2.185 1.00 65.35 H new ATOM 0 HD22 ASN A 67 -15.859 -0.327 3.039 1.00 65.35 H new ATOM 1054 N GLU A 68 -11.725 -2.312 5.725 1.00 15.11 N ATOM 1055 CA GLU A 68 -11.260 -3.225 6.787 1.00 11.02 C ATOM 1056 C GLU A 68 -9.803 -2.906 7.165 1.00 13.13 C ATOM 1057 O GLU A 68 -9.452 -2.941 8.338 1.00 73.24 O ATOM 1058 CB GLU A 68 -11.426 -4.712 6.357 1.00 24.42 C ATOM 1059 CG GLU A 68 -12.895 -5.122 6.104 1.00 61.44 C ATOM 1060 CD GLU A 68 -13.089 -6.615 5.804 1.00 44.04 C ATOM 1061 OE1 GLU A 68 -12.649 -7.073 4.732 1.00 60.01 O ATOM 1062 OE2 GLU A 68 -13.683 -7.338 6.641 1.00 52.42 O ATOM 0 H GLU A 68 -11.952 -2.782 4.849 1.00 15.11 H new ATOM 0 HA GLU A 68 -11.879 -3.073 7.671 1.00 11.02 H new ATOM 0 HB2 GLU A 68 -10.847 -4.886 5.450 1.00 24.42 H new ATOM 0 HB3 GLU A 68 -11.006 -5.355 7.131 1.00 24.42 H new ATOM 0 HG2 GLU A 68 -13.490 -4.858 6.979 1.00 61.44 H new ATOM 0 HG3 GLU A 68 -13.284 -4.541 5.267 1.00 61.44 H new ATOM 1069 N PHE A 69 -8.980 -2.548 6.150 1.00 51.23 N ATOM 1070 CA PHE A 69 -7.591 -2.104 6.358 1.00 61.21 C ATOM 1071 C PHE A 69 -7.567 -0.840 7.230 1.00 61.40 C ATOM 1072 O PHE A 69 -6.890 -0.805 8.256 1.00 54.15 O ATOM 1073 CB PHE A 69 -6.887 -1.833 4.994 1.00 71.43 C ATOM 1074 CG PHE A 69 -5.403 -1.433 5.111 1.00 33.43 C ATOM 1075 CD1 PHE A 69 -5.025 -0.098 5.285 1.00 62.54 C ATOM 1076 CD2 PHE A 69 -4.395 -2.398 5.056 1.00 64.04 C ATOM 1077 CE1 PHE A 69 -3.700 0.249 5.397 1.00 63.51 C ATOM 1078 CE2 PHE A 69 -3.068 -2.044 5.170 1.00 11.34 C ATOM 1079 CZ PHE A 69 -2.722 -0.720 5.340 1.00 34.42 C ATOM 0 H PHE A 69 -9.264 -2.561 5.170 1.00 51.23 H new ATOM 0 HA PHE A 69 -7.048 -2.898 6.870 1.00 61.21 H new ATOM 0 HB2 PHE A 69 -6.962 -2.728 4.376 1.00 71.43 H new ATOM 0 HB3 PHE A 69 -7.424 -1.041 4.473 1.00 71.43 H new ATOM 0 HD1 PHE A 69 -5.783 0.670 5.332 1.00 62.54 H new ATOM 0 HD2 PHE A 69 -4.659 -3.437 4.922 1.00 64.04 H new ATOM 0 HE1 PHE A 69 -3.424 1.285 5.530 1.00 63.51 H new ATOM 0 HE2 PHE A 69 -2.300 -2.802 5.126 1.00 11.34 H new ATOM 0 HZ PHE A 69 -1.682 -0.442 5.429 1.00 34.42 H new ATOM 1089 N GLN A 70 -8.296 0.196 6.767 1.00 50.12 N ATOM 1090 CA GLN A 70 -8.388 1.511 7.432 1.00 53.01 C ATOM 1091 C GLN A 70 -8.779 1.385 8.917 1.00 32.22 C ATOM 1092 O GLN A 70 -8.128 1.971 9.783 1.00 42.41 O ATOM 1093 CB GLN A 70 -9.415 2.403 6.675 1.00 3.42 C ATOM 1094 CG GLN A 70 -9.000 2.771 5.233 1.00 53.21 C ATOM 1095 CD GLN A 70 -10.098 3.480 4.433 1.00 30.53 C ATOM 1096 OE1 GLN A 70 -10.078 3.325 3.119 1.00 53.23 O flip ATOM 1097 NE2 GLN A 70 -10.951 4.169 4.990 1.00 52.54 N flip ATOM 0 H GLN A 70 -8.845 0.141 5.909 1.00 50.12 H new ATOM 0 HA GLN A 70 -7.402 1.974 7.401 1.00 53.01 H new ATOM 0 HB2 GLN A 70 -10.374 1.885 6.643 1.00 3.42 H new ATOM 0 HB3 GLN A 70 -9.567 3.321 7.242 1.00 3.42 H new ATOM 0 HG2 GLN A 70 -8.120 3.413 5.271 1.00 53.21 H new ATOM 0 HG3 GLN A 70 -8.709 1.862 4.706 1.00 53.21 H new ATOM 0 HE21 GLN A 70 -10.942 4.270 6.005 1.00 52.54 H new ATOM 0 HE22 GLN A 70 -11.668 4.639 4.437 1.00 52.54 H new ATOM 1106 N ASN A 71 -9.835 0.599 9.182 1.00 54.32 N ATOM 1107 CA ASN A 71 -10.401 0.421 10.532 1.00 63.30 C ATOM 1108 C ASN A 71 -9.431 -0.341 11.454 1.00 32.01 C ATOM 1109 O ASN A 71 -9.086 0.145 12.540 1.00 4.34 O ATOM 1110 CB ASN A 71 -11.769 -0.302 10.455 1.00 25.21 C ATOM 1111 CG ASN A 71 -12.851 0.511 9.737 1.00 71.32 C ATOM 1112 OD1 ASN A 71 -12.873 1.742 9.797 1.00 4.21 O ATOM 1113 ND2 ASN A 71 -13.756 -0.169 9.048 1.00 74.45 N ATOM 0 H ASN A 71 -10.324 0.066 8.463 1.00 54.32 H new ATOM 0 HA ASN A 71 -10.555 1.410 10.963 1.00 63.30 H new ATOM 0 HB2 ASN A 71 -11.639 -1.254 9.940 1.00 25.21 H new ATOM 0 HB3 ASN A 71 -12.108 -0.530 11.466 1.00 25.21 H new ATOM 0 HD21 ASN A 71 -14.495 0.326 8.550 1.00 74.45 H new ATOM 0 HD22 ASN A 71 -13.713 -1.188 9.016 1.00 74.45 H new ATOM 1120 N GLU A 72 -9.018 -1.547 11.024 1.00 34.14 N ATOM 1121 CA GLU A 72 -8.089 -2.401 11.790 1.00 25.34 C ATOM 1122 C GLU A 72 -6.722 -1.733 12.055 1.00 61.55 C ATOM 1123 O GLU A 72 -6.099 -2.000 13.080 1.00 54.00 O ATOM 1124 CB GLU A 72 -7.936 -3.781 11.092 1.00 70.02 C ATOM 1125 CG GLU A 72 -9.262 -4.574 11.020 1.00 41.53 C ATOM 1126 CD GLU A 72 -9.126 -5.956 10.363 1.00 52.21 C ATOM 1127 OE1 GLU A 72 -8.766 -6.924 11.074 1.00 12.41 O ATOM 1128 OE2 GLU A 72 -9.394 -6.093 9.146 1.00 24.21 O ATOM 0 H GLU A 72 -9.317 -1.957 10.139 1.00 34.14 H new ATOM 0 HA GLU A 72 -8.528 -2.553 12.776 1.00 25.34 H new ATOM 0 HB2 GLU A 72 -7.554 -3.631 10.082 1.00 70.02 H new ATOM 0 HB3 GLU A 72 -7.194 -4.373 11.628 1.00 70.02 H new ATOM 0 HG2 GLU A 72 -9.654 -4.699 12.029 1.00 41.53 H new ATOM 0 HG3 GLU A 72 -9.994 -3.989 10.464 1.00 41.53 H new ATOM 1135 N ALA A 73 -6.264 -0.866 11.137 1.00 1.04 N ATOM 1136 CA ALA A 73 -5.031 -0.085 11.331 1.00 15.04 C ATOM 1137 C ALA A 73 -5.229 1.030 12.381 1.00 50.03 C ATOM 1138 O ALA A 73 -4.486 1.093 13.370 1.00 51.51 O ATOM 1139 CB ALA A 73 -4.536 0.488 9.991 1.00 12.13 C ATOM 0 H ALA A 73 -6.732 -0.688 10.248 1.00 1.04 H new ATOM 0 HA ALA A 73 -4.264 -0.757 11.715 1.00 15.04 H new ATOM 0 HB1 ALA A 73 -3.624 1.062 10.155 1.00 12.13 H new ATOM 0 HB2 ALA A 73 -4.331 -0.329 9.299 1.00 12.13 H new ATOM 0 HB3 ALA A 73 -5.302 1.138 9.568 1.00 12.13 H new ATOM 1145 N LYS A 74 -6.257 1.887 12.168 1.00 10.23 N ATOM 1146 CA LYS A 74 -6.503 3.089 13.004 1.00 52.24 C ATOM 1147 C LYS A 74 -6.747 2.744 14.486 1.00 50.15 C ATOM 1148 O LYS A 74 -6.325 3.494 15.375 1.00 54.12 O ATOM 1149 CB LYS A 74 -7.694 3.939 12.451 1.00 63.50 C ATOM 1150 CG LYS A 74 -9.087 3.286 12.599 1.00 74.24 C ATOM 1151 CD LYS A 74 -10.244 4.120 12.008 1.00 53.32 C ATOM 1152 CE LYS A 74 -10.416 5.494 12.683 1.00 54.13 C ATOM 1153 NZ LYS A 74 -11.631 6.208 12.192 1.00 22.52 N ATOM 0 H LYS A 74 -6.936 1.766 11.416 1.00 10.23 H new ATOM 0 HA LYS A 74 -5.590 3.682 12.949 1.00 52.24 H new ATOM 0 HB2 LYS A 74 -7.704 4.900 12.965 1.00 63.50 H new ATOM 0 HB3 LYS A 74 -7.515 4.143 11.395 1.00 63.50 H new ATOM 0 HG2 LYS A 74 -9.072 2.311 12.113 1.00 74.24 H new ATOM 0 HG3 LYS A 74 -9.283 3.112 13.657 1.00 74.24 H new ATOM 0 HD2 LYS A 74 -10.069 4.267 10.942 1.00 53.32 H new ATOM 0 HD3 LYS A 74 -11.173 3.558 12.104 1.00 53.32 H new ATOM 0 HE2 LYS A 74 -10.484 5.362 13.763 1.00 54.13 H new ATOM 0 HE3 LYS A 74 -9.534 6.105 12.492 1.00 54.13 H new ATOM 0 HZ1 LYS A 74 -11.710 7.128 12.671 1.00 22.52 H new ATOM 0 HZ2 LYS A 74 -11.555 6.357 11.166 1.00 22.52 H new ATOM 0 HZ3 LYS A 74 -12.476 5.637 12.397 1.00 22.52 H new ATOM 1167 N LYS A 75 -7.422 1.609 14.751 1.00 23.41 N ATOM 1168 CA LYS A 75 -7.771 1.208 16.125 1.00 1.42 C ATOM 1169 C LYS A 75 -6.536 0.657 16.875 1.00 52.10 C ATOM 1170 O LYS A 75 -6.479 0.711 18.106 1.00 5.34 O ATOM 1171 CB LYS A 75 -8.940 0.187 16.110 1.00 4.31 C ATOM 1172 CG LYS A 75 -8.603 -1.219 15.564 1.00 0.34 C ATOM 1173 CD LYS A 75 -9.862 -2.108 15.390 1.00 33.24 C ATOM 1174 CE LYS A 75 -9.517 -3.580 15.097 1.00 44.02 C ATOM 1175 NZ LYS A 75 -8.793 -4.217 16.228 1.00 53.20 N ATOM 0 H LYS A 75 -7.735 0.956 14.033 1.00 23.41 H new ATOM 0 HA LYS A 75 -8.107 2.091 16.669 1.00 1.42 H new ATOM 0 HB2 LYS A 75 -9.316 0.080 17.128 1.00 4.31 H new ATOM 0 HB3 LYS A 75 -9.752 0.602 15.513 1.00 4.31 H new ATOM 0 HG2 LYS A 75 -8.097 -1.120 14.604 1.00 0.34 H new ATOM 0 HG3 LYS A 75 -7.906 -1.711 16.243 1.00 0.34 H new ATOM 0 HD2 LYS A 75 -10.467 -2.055 16.295 1.00 33.24 H new ATOM 0 HD3 LYS A 75 -10.470 -1.713 14.576 1.00 33.24 H new ATOM 0 HE2 LYS A 75 -10.434 -4.134 14.895 1.00 44.02 H new ATOM 0 HE3 LYS A 75 -8.905 -3.637 14.197 1.00 44.02 H new ATOM 0 HZ1 LYS A 75 -8.684 -5.234 16.042 1.00 53.20 H new ATOM 0 HZ2 LYS A 75 -7.854 -3.781 16.329 1.00 53.20 H new ATOM 0 HZ3 LYS A 75 -9.333 -4.082 17.106 1.00 53.20 H new ATOM 1189 N GLU A 76 -5.548 0.145 16.112 1.00 61.34 N ATOM 1190 CA GLU A 76 -4.270 -0.360 16.658 1.00 31.35 C ATOM 1191 C GLU A 76 -3.164 0.727 16.627 1.00 23.42 C ATOM 1192 O GLU A 76 -2.012 0.450 16.983 1.00 54.33 O ATOM 1193 CB GLU A 76 -3.816 -1.598 15.847 1.00 23.32 C ATOM 1194 CG GLU A 76 -4.828 -2.763 15.823 1.00 64.25 C ATOM 1195 CD GLU A 76 -5.199 -3.297 17.216 1.00 3.23 C ATOM 1196 OE1 GLU A 76 -4.310 -3.807 17.927 1.00 3.00 O ATOM 1197 OE2 GLU A 76 -6.388 -3.226 17.603 1.00 72.21 O ATOM 0 H GLU A 76 -5.614 0.070 15.097 1.00 61.34 H new ATOM 0 HA GLU A 76 -4.432 -0.637 17.700 1.00 31.35 H new ATOM 0 HB2 GLU A 76 -3.615 -1.289 14.821 1.00 23.32 H new ATOM 0 HB3 GLU A 76 -2.875 -1.961 16.261 1.00 23.32 H new ATOM 0 HG2 GLU A 76 -5.736 -2.432 15.318 1.00 64.25 H new ATOM 0 HG3 GLU A 76 -4.413 -3.579 15.231 1.00 64.25 H new ATOM 1204 N GLY A 77 -3.515 1.944 16.171 1.00 51.40 N ATOM 1205 CA GLY A 77 -2.573 3.072 16.130 1.00 50.15 C ATOM 1206 C GLY A 77 -1.607 3.042 14.949 1.00 70.13 C ATOM 1207 O GLY A 77 -0.682 3.863 14.889 1.00 14.30 O ATOM 0 H GLY A 77 -4.448 2.169 15.825 1.00 51.40 H new ATOM 0 HA2 GLY A 77 -3.140 4.002 16.097 1.00 50.15 H new ATOM 0 HA3 GLY A 77 -1.997 3.083 17.055 1.00 50.15 H new ATOM 1211 N VAL A 78 -1.820 2.092 14.018 1.00 50.12 N ATOM 1212 CA VAL A 78 -1.007 1.950 12.797 1.00 41.22 C ATOM 1213 C VAL A 78 -1.365 3.070 11.807 1.00 13.41 C ATOM 1214 O VAL A 78 -2.544 3.239 11.458 1.00 61.11 O ATOM 1215 CB VAL A 78 -1.233 0.539 12.125 1.00 14.00 C ATOM 1216 CG1 VAL A 78 -0.468 0.389 10.783 1.00 52.02 C ATOM 1217 CG2 VAL A 78 -0.854 -0.597 13.108 1.00 33.24 C ATOM 0 H VAL A 78 -2.565 1.399 14.093 1.00 50.12 H new ATOM 0 HA VAL A 78 0.045 2.028 13.071 1.00 41.22 H new ATOM 0 HB VAL A 78 -2.294 0.462 11.890 1.00 14.00 H new ATOM 0 HG11 VAL A 78 -0.658 -0.599 10.364 1.00 52.02 H new ATOM 0 HG12 VAL A 78 -0.809 1.152 10.083 1.00 52.02 H new ATOM 0 HG13 VAL A 78 0.601 0.509 10.958 1.00 52.02 H new ATOM 0 HG21 VAL A 78 -1.016 -1.562 12.628 1.00 33.24 H new ATOM 0 HG22 VAL A 78 0.195 -0.502 13.387 1.00 33.24 H new ATOM 0 HG23 VAL A 78 -1.474 -0.527 14.001 1.00 33.24 H new ATOM 1227 N SER A 79 -0.344 3.829 11.367 1.00 62.54 N ATOM 1228 CA SER A 79 -0.525 4.922 10.405 1.00 62.01 C ATOM 1229 C SER A 79 -0.726 4.348 8.993 1.00 4.42 C ATOM 1230 O SER A 79 -0.121 3.330 8.639 1.00 62.34 O ATOM 1231 CB SER A 79 0.694 5.870 10.433 1.00 21.24 C ATOM 1232 OG SER A 79 0.846 6.476 11.701 1.00 44.20 O ATOM 0 H SER A 79 0.622 3.700 11.668 1.00 62.54 H new ATOM 0 HA SER A 79 -1.411 5.494 10.682 1.00 62.01 H new ATOM 0 HB2 SER A 79 1.597 5.312 10.184 1.00 21.24 H new ATOM 0 HB3 SER A 79 0.575 6.641 9.671 1.00 21.24 H new ATOM 0 HG SER A 79 1.626 7.069 11.689 1.00 44.20 H new ATOM 1238 N TYR A 80 -1.592 5.002 8.212 1.00 34.32 N ATOM 1239 CA TYR A 80 -1.859 4.639 6.813 1.00 62.40 C ATOM 1240 C TYR A 80 -2.202 5.911 6.023 1.00 53.25 C ATOM 1241 O TYR A 80 -2.913 6.793 6.523 1.00 33.41 O ATOM 1242 CB TYR A 80 -2.998 3.579 6.709 1.00 11.33 C ATOM 1243 CG TYR A 80 -4.357 4.017 7.301 1.00 40.44 C ATOM 1244 CD1 TYR A 80 -4.617 3.903 8.669 1.00 3.24 C ATOM 1245 CD2 TYR A 80 -5.362 4.566 6.493 1.00 64.31 C ATOM 1246 CE1 TYR A 80 -5.825 4.297 9.202 1.00 42.42 C ATOM 1247 CE2 TYR A 80 -6.572 4.964 7.027 1.00 74.20 C ATOM 1248 CZ TYR A 80 -6.796 4.836 8.383 1.00 2.43 C ATOM 1249 OH TYR A 80 -8.007 5.230 8.920 1.00 52.41 O ATOM 0 H TYR A 80 -2.133 5.805 8.534 1.00 34.32 H new ATOM 0 HA TYR A 80 -0.967 4.182 6.384 1.00 62.40 H new ATOM 0 HB2 TYR A 80 -3.142 3.325 5.659 1.00 11.33 H new ATOM 0 HB3 TYR A 80 -2.675 2.670 7.216 1.00 11.33 H new ATOM 0 HD1 TYR A 80 -3.857 3.498 9.321 1.00 3.24 H new ATOM 0 HD2 TYR A 80 -5.187 4.680 5.433 1.00 64.31 H new ATOM 0 HE1 TYR A 80 -6.012 4.184 10.260 1.00 42.42 H new ATOM 0 HE2 TYR A 80 -7.339 5.373 6.387 1.00 74.20 H new ATOM 0 HH TYR A 80 -8.579 5.589 8.209 1.00 52.41 H new ATOM 1259 N ASP A 81 -1.645 6.018 4.816 1.00 22.42 N ATOM 1260 CA ASP A 81 -1.860 7.147 3.904 1.00 65.30 C ATOM 1261 C ASP A 81 -2.522 6.609 2.634 1.00 31.34 C ATOM 1262 O ASP A 81 -1.896 5.853 1.880 1.00 43.51 O ATOM 1263 CB ASP A 81 -0.497 7.832 3.592 1.00 2.04 C ATOM 1264 CG ASP A 81 0.185 8.401 4.855 1.00 34.00 C ATOM 1265 OD1 ASP A 81 0.804 7.629 5.617 1.00 31.40 O ATOM 1266 OD2 ASP A 81 0.093 9.622 5.108 1.00 51.21 O ATOM 0 H ASP A 81 -1.019 5.309 4.435 1.00 22.42 H new ATOM 0 HA ASP A 81 -2.509 7.898 4.355 1.00 65.30 H new ATOM 0 HB2 ASP A 81 0.168 7.110 3.119 1.00 2.04 H new ATOM 0 HB3 ASP A 81 -0.655 8.638 2.875 1.00 2.04 H new ATOM 1271 N VAL A 82 -3.790 6.989 2.403 1.00 44.31 N ATOM 1272 CA VAL A 82 -4.601 6.438 1.303 1.00 2.20 C ATOM 1273 C VAL A 82 -4.329 7.225 0.010 1.00 13.24 C ATOM 1274 O VAL A 82 -4.625 8.422 -0.091 1.00 71.53 O ATOM 1275 CB VAL A 82 -6.138 6.445 1.654 1.00 32.43 C ATOM 1276 CG1 VAL A 82 -7.008 6.039 0.434 1.00 52.34 C ATOM 1277 CG2 VAL A 82 -6.428 5.520 2.866 1.00 0.22 C ATOM 0 H VAL A 82 -4.279 7.682 2.969 1.00 44.31 H new ATOM 0 HA VAL A 82 -4.312 5.398 1.153 1.00 2.20 H new ATOM 0 HB VAL A 82 -6.408 7.466 1.924 1.00 32.43 H new ATOM 0 HG11 VAL A 82 -8.061 6.056 0.716 1.00 52.34 H new ATOM 0 HG12 VAL A 82 -6.840 6.741 -0.383 1.00 52.34 H new ATOM 0 HG13 VAL A 82 -6.735 5.034 0.111 1.00 52.34 H new ATOM 0 HG21 VAL A 82 -7.494 5.539 3.092 1.00 0.22 H new ATOM 0 HG22 VAL A 82 -6.126 4.500 2.626 1.00 0.22 H new ATOM 0 HG23 VAL A 82 -5.867 5.870 3.733 1.00 0.22 H new ATOM 1287 N LEU A 83 -3.724 6.523 -0.950 1.00 64.04 N ATOM 1288 CA LEU A 83 -3.341 7.038 -2.265 1.00 23.33 C ATOM 1289 C LEU A 83 -4.267 6.424 -3.330 1.00 55.31 C ATOM 1290 O LEU A 83 -4.240 5.216 -3.540 1.00 44.21 O ATOM 1291 CB LEU A 83 -1.856 6.648 -2.517 1.00 70.32 C ATOM 1292 CG LEU A 83 -1.225 7.051 -3.888 1.00 72.01 C ATOM 1293 CD1 LEU A 83 -1.196 8.579 -4.074 1.00 51.22 C ATOM 1294 CD2 LEU A 83 0.182 6.436 -4.036 1.00 64.43 C ATOM 0 H LEU A 83 -3.478 5.541 -0.827 1.00 64.04 H new ATOM 0 HA LEU A 83 -3.440 8.122 -2.313 1.00 23.33 H new ATOM 0 HB2 LEU A 83 -1.253 7.093 -1.726 1.00 70.32 H new ATOM 0 HB3 LEU A 83 -1.770 5.566 -2.413 1.00 70.32 H new ATOM 0 HG LEU A 83 -1.857 6.649 -4.680 1.00 72.01 H new ATOM 0 HD11 LEU A 83 -0.750 8.820 -5.039 1.00 51.22 H new ATOM 0 HD12 LEU A 83 -2.213 8.969 -4.037 1.00 51.22 H new ATOM 0 HD13 LEU A 83 -0.604 9.031 -3.278 1.00 51.22 H new ATOM 0 HD21 LEU A 83 0.607 6.727 -4.997 1.00 64.43 H new ATOM 0 HD22 LEU A 83 0.823 6.796 -3.232 1.00 64.43 H new ATOM 0 HD23 LEU A 83 0.111 5.350 -3.984 1.00 64.43 H new ATOM 1306 N LYS A 84 -5.103 7.251 -3.971 1.00 72.41 N ATOM 1307 CA LYS A 84 -6.036 6.813 -5.032 1.00 63.54 C ATOM 1308 C LYS A 84 -5.691 7.524 -6.342 1.00 60.24 C ATOM 1309 O LYS A 84 -6.064 8.683 -6.545 1.00 43.30 O ATOM 1310 CB LYS A 84 -7.533 7.058 -4.621 1.00 52.30 C ATOM 1311 CG LYS A 84 -8.233 5.823 -4.015 1.00 74.24 C ATOM 1312 CD LYS A 84 -9.710 6.091 -3.642 1.00 32.55 C ATOM 1313 CE LYS A 84 -10.486 4.794 -3.339 1.00 54.11 C ATOM 1314 NZ LYS A 84 -10.629 3.939 -4.557 1.00 52.34 N ATOM 0 H LYS A 84 -5.156 8.250 -3.771 1.00 72.41 H new ATOM 0 HA LYS A 84 -5.923 5.738 -5.176 1.00 63.54 H new ATOM 0 HB2 LYS A 84 -7.571 7.874 -3.899 1.00 52.30 H new ATOM 0 HB3 LYS A 84 -8.091 7.383 -5.499 1.00 52.30 H new ATOM 0 HG2 LYS A 84 -8.187 5.000 -4.728 1.00 74.24 H new ATOM 0 HG3 LYS A 84 -7.691 5.505 -3.125 1.00 74.24 H new ATOM 0 HD2 LYS A 84 -9.749 6.746 -2.771 1.00 32.55 H new ATOM 0 HD3 LYS A 84 -10.198 6.620 -4.461 1.00 32.55 H new ATOM 0 HE2 LYS A 84 -9.969 4.234 -2.560 1.00 54.11 H new ATOM 0 HE3 LYS A 84 -11.474 5.043 -2.951 1.00 54.11 H new ATOM 0 HZ1 LYS A 84 -11.141 3.068 -4.311 1.00 52.34 H new ATOM 0 HZ2 LYS A 84 -11.159 4.459 -5.286 1.00 52.34 H new ATOM 0 HZ3 LYS A 84 -9.686 3.695 -4.922 1.00 52.34 H new ATOM 1328 N SER A 85 -4.960 6.810 -7.214 1.00 71.00 N ATOM 1329 CA SER A 85 -4.555 7.294 -8.542 1.00 64.54 C ATOM 1330 C SER A 85 -4.309 6.098 -9.482 1.00 51.13 C ATOM 1331 O SER A 85 -4.021 4.988 -9.029 1.00 42.10 O ATOM 1332 CB SER A 85 -3.282 8.175 -8.448 1.00 1.51 C ATOM 1333 OG SER A 85 -3.484 9.333 -7.654 1.00 3.21 O ATOM 0 H SER A 85 -4.629 5.866 -7.012 1.00 71.00 H new ATOM 0 HA SER A 85 -5.360 7.908 -8.946 1.00 64.54 H new ATOM 0 HB2 SER A 85 -2.466 7.587 -8.027 1.00 1.51 H new ATOM 0 HB3 SER A 85 -2.975 8.474 -9.450 1.00 1.51 H new ATOM 0 HG SER A 85 -2.656 9.856 -7.622 1.00 3.21 H new ATOM 1339 N THR A 86 -4.493 6.330 -10.784 1.00 72.20 N ATOM 1340 CA THR A 86 -4.163 5.372 -11.850 1.00 42.21 C ATOM 1341 C THR A 86 -3.119 6.016 -12.790 1.00 74.23 C ATOM 1342 O THR A 86 -3.464 6.687 -13.771 1.00 53.01 O ATOM 1343 CB THR A 86 -5.460 4.945 -12.620 1.00 54.33 C ATOM 1344 OG1 THR A 86 -6.145 6.111 -13.102 1.00 75.53 O ATOM 1345 CG2 THR A 86 -6.421 4.139 -11.720 1.00 3.00 C ATOM 0 H THR A 86 -4.883 7.204 -11.137 1.00 72.20 H new ATOM 0 HA THR A 86 -3.734 4.465 -11.423 1.00 42.21 H new ATOM 0 HB THR A 86 -5.153 4.311 -13.452 1.00 54.33 H new ATOM 0 HG1 THR A 86 -5.505 6.708 -13.543 1.00 75.53 H new ATOM 0 HG21 THR A 86 -7.307 3.862 -12.291 1.00 3.00 H new ATOM 0 HG22 THR A 86 -5.920 3.237 -11.368 1.00 3.00 H new ATOM 0 HG23 THR A 86 -6.715 4.748 -10.865 1.00 3.00 H new ATOM 1353 N ASP A 87 -1.824 5.834 -12.446 1.00 14.44 N ATOM 1354 CA ASP A 87 -0.694 6.558 -13.074 1.00 4.00 C ATOM 1355 C ASP A 87 0.567 5.669 -13.032 1.00 62.34 C ATOM 1356 O ASP A 87 1.107 5.444 -11.945 1.00 30.24 O ATOM 1357 CB ASP A 87 -0.382 7.894 -12.335 1.00 50.01 C ATOM 1358 CG ASP A 87 -1.494 8.949 -12.424 1.00 25.44 C ATOM 1359 OD1 ASP A 87 -1.644 9.576 -13.491 1.00 75.53 O ATOM 1360 OD2 ASP A 87 -2.223 9.153 -11.438 1.00 12.23 O ATOM 0 H ASP A 87 -1.531 5.178 -11.722 1.00 14.44 H new ATOM 0 HA ASP A 87 -0.977 6.788 -14.101 1.00 4.00 H new ATOM 0 HB2 ASP A 87 -0.189 7.676 -11.285 1.00 50.01 H new ATOM 0 HB3 ASP A 87 0.535 8.316 -12.747 1.00 50.01 H new ATOM 1365 N PRO A 88 1.071 5.147 -14.196 1.00 14.35 N ATOM 1366 CA PRO A 88 2.274 4.264 -14.215 1.00 62.20 C ATOM 1367 C PRO A 88 3.550 5.019 -13.780 1.00 33.44 C ATOM 1368 O PRO A 88 4.474 4.426 -13.219 1.00 13.31 O ATOM 1369 CB PRO A 88 2.352 3.800 -15.697 1.00 13.43 C ATOM 1370 CG PRO A 88 1.654 4.886 -16.473 1.00 40.13 C ATOM 1371 CD PRO A 88 0.537 5.379 -15.570 1.00 20.21 C ATOM 0 HA PRO A 88 2.200 3.432 -13.514 1.00 62.20 H new ATOM 0 HB2 PRO A 88 3.386 3.683 -16.022 1.00 13.43 H new ATOM 0 HB3 PRO A 88 1.863 2.836 -15.837 1.00 13.43 H new ATOM 0 HG2 PRO A 88 2.342 5.694 -16.722 1.00 40.13 H new ATOM 0 HG3 PRO A 88 1.258 4.503 -17.413 1.00 40.13 H new ATOM 0 HD2 PRO A 88 0.317 6.433 -15.742 1.00 20.21 H new ATOM 0 HD3 PRO A 88 -0.388 4.828 -15.739 1.00 20.21 H new ATOM 1379 N GLU A 89 3.563 6.334 -14.061 1.00 43.43 N ATOM 1380 CA GLU A 89 4.657 7.240 -13.692 1.00 24.10 C ATOM 1381 C GLU A 89 4.465 7.810 -12.261 1.00 21.45 C ATOM 1382 O GLU A 89 5.361 7.669 -11.414 1.00 33.02 O ATOM 1383 CB GLU A 89 4.782 8.370 -14.762 1.00 5.44 C ATOM 1384 CG GLU A 89 3.481 9.154 -15.035 1.00 62.01 C ATOM 1385 CD GLU A 89 3.632 10.225 -16.124 1.00 33.52 C ATOM 1386 OE1 GLU A 89 4.002 11.373 -15.802 1.00 14.23 O ATOM 1387 OE2 GLU A 89 3.399 9.923 -17.315 1.00 11.52 O ATOM 0 H GLU A 89 2.803 6.800 -14.557 1.00 43.43 H new ATOM 0 HA GLU A 89 5.591 6.679 -13.674 1.00 24.10 H new ATOM 0 HB2 GLU A 89 5.551 9.072 -14.440 1.00 5.44 H new ATOM 0 HB3 GLU A 89 5.126 7.928 -15.697 1.00 5.44 H new ATOM 0 HG2 GLU A 89 2.699 8.454 -15.330 1.00 62.01 H new ATOM 0 HG3 GLU A 89 3.151 9.630 -14.111 1.00 62.01 H new ATOM 1394 N GLU A 90 3.293 8.435 -11.987 1.00 23.31 N ATOM 1395 CA GLU A 90 3.092 9.208 -10.744 1.00 2.03 C ATOM 1396 C GLU A 90 2.943 8.301 -9.506 1.00 15.23 C ATOM 1397 O GLU A 90 3.486 8.627 -8.458 1.00 51.43 O ATOM 1398 CB GLU A 90 1.899 10.192 -10.839 1.00 50.23 C ATOM 1399 CG GLU A 90 1.794 11.136 -9.617 1.00 73.12 C ATOM 1400 CD GLU A 90 0.639 12.146 -9.660 1.00 72.21 C ATOM 1401 OE1 GLU A 90 0.357 12.702 -10.736 1.00 22.32 O ATOM 1402 OE2 GLU A 90 0.036 12.426 -8.601 1.00 62.53 O ATOM 0 H GLU A 90 2.482 8.417 -12.606 1.00 23.31 H new ATOM 0 HA GLU A 90 3.999 9.799 -10.620 1.00 2.03 H new ATOM 0 HB2 GLU A 90 2.000 10.790 -11.745 1.00 50.23 H new ATOM 0 HB3 GLU A 90 0.973 9.624 -10.933 1.00 50.23 H new ATOM 0 HG2 GLU A 90 1.689 10.528 -8.718 1.00 73.12 H new ATOM 0 HG3 GLU A 90 2.731 11.685 -9.523 1.00 73.12 H new ATOM 1409 N LEU A 91 2.242 7.154 -9.618 1.00 33.44 N ATOM 1410 CA LEU A 91 2.114 6.220 -8.468 1.00 41.11 C ATOM 1411 C LEU A 91 3.510 5.755 -7.996 1.00 62.14 C ATOM 1412 O LEU A 91 3.751 5.649 -6.797 1.00 23.21 O ATOM 1413 CB LEU A 91 1.228 5.000 -8.806 1.00 21.43 C ATOM 1414 CG LEU A 91 -0.309 5.236 -8.834 1.00 34.02 C ATOM 1415 CD1 LEU A 91 -1.033 3.975 -9.328 1.00 11.32 C ATOM 1416 CD2 LEU A 91 -0.834 5.660 -7.450 1.00 71.35 C ATOM 0 H LEU A 91 1.765 6.853 -10.468 1.00 33.44 H new ATOM 0 HA LEU A 91 1.624 6.764 -7.660 1.00 41.11 H new ATOM 0 HB2 LEU A 91 1.531 4.620 -9.782 1.00 21.43 H new ATOM 0 HB3 LEU A 91 1.438 4.216 -8.079 1.00 21.43 H new ATOM 0 HG LEU A 91 -0.514 6.050 -9.529 1.00 34.02 H new ATOM 0 HD11 LEU A 91 -2.108 4.155 -9.342 1.00 11.32 H new ATOM 0 HD12 LEU A 91 -0.692 3.731 -10.334 1.00 11.32 H new ATOM 0 HD13 LEU A 91 -0.813 3.143 -8.659 1.00 11.32 H new ATOM 0 HD21 LEU A 91 -1.911 5.817 -7.502 1.00 71.35 H new ATOM 0 HD22 LEU A 91 -0.616 4.878 -6.723 1.00 71.35 H new ATOM 0 HD23 LEU A 91 -0.346 6.586 -7.144 1.00 71.35 H new ATOM 1428 N THR A 92 4.424 5.538 -8.969 1.00 3.22 N ATOM 1429 CA THR A 92 5.821 5.159 -8.700 1.00 54.10 C ATOM 1430 C THR A 92 6.558 6.258 -7.923 1.00 30.21 C ATOM 1431 O THR A 92 7.294 5.957 -6.966 1.00 44.34 O ATOM 1432 CB THR A 92 6.577 4.836 -10.025 1.00 11.42 C ATOM 1433 OG1 THR A 92 5.893 3.776 -10.707 1.00 4.34 O ATOM 1434 CG2 THR A 92 8.043 4.428 -9.785 1.00 51.51 C ATOM 0 H THR A 92 4.209 5.622 -9.962 1.00 3.22 H new ATOM 0 HA THR A 92 5.802 4.260 -8.083 1.00 54.10 H new ATOM 0 HB THR A 92 6.589 5.744 -10.629 1.00 11.42 H new ATOM 0 HG1 THR A 92 5.468 4.129 -11.517 1.00 4.34 H new ATOM 0 HG21 THR A 92 8.522 4.214 -10.740 1.00 51.51 H new ATOM 0 HG22 THR A 92 8.571 5.242 -9.288 1.00 51.51 H new ATOM 0 HG23 THR A 92 8.075 3.538 -9.156 1.00 51.51 H new ATOM 1442 N GLN A 93 6.345 7.537 -8.324 1.00 71.51 N ATOM 1443 CA GLN A 93 6.999 8.668 -7.656 1.00 72.23 C ATOM 1444 C GLN A 93 6.457 8.820 -6.221 1.00 32.21 C ATOM 1445 O GLN A 93 7.202 9.202 -5.334 1.00 64.34 O ATOM 1446 CB GLN A 93 6.887 10.015 -8.449 1.00 64.21 C ATOM 1447 CG GLN A 93 5.585 10.812 -8.237 1.00 70.33 C ATOM 1448 CD GLN A 93 5.606 12.199 -8.868 1.00 12.33 C ATOM 1449 OE1 GLN A 93 5.219 12.372 -10.018 1.00 14.32 O ATOM 1450 NE2 GLN A 93 6.052 13.194 -8.117 1.00 75.14 N ATOM 0 H GLN A 93 5.733 7.799 -9.097 1.00 71.51 H new ATOM 0 HA GLN A 93 8.064 8.438 -7.619 1.00 72.23 H new ATOM 0 HB2 GLN A 93 7.728 10.650 -8.171 1.00 64.21 H new ATOM 0 HB3 GLN A 93 6.989 9.798 -9.512 1.00 64.21 H new ATOM 0 HG2 GLN A 93 4.751 10.246 -8.653 1.00 70.33 H new ATOM 0 HG3 GLN A 93 5.401 10.912 -7.167 1.00 70.33 H new ATOM 0 HE21 GLN A 93 6.366 13.012 -7.164 1.00 75.14 H new ATOM 0 HE22 GLN A 93 6.081 14.142 -8.492 1.00 75.14 H new ATOM 1459 N ARG A 94 5.166 8.463 -6.000 1.00 14.31 N ATOM 1460 CA ARG A 94 4.514 8.605 -4.684 1.00 71.14 C ATOM 1461 C ARG A 94 4.996 7.514 -3.716 1.00 14.54 C ATOM 1462 O ARG A 94 5.213 7.786 -2.536 1.00 12.31 O ATOM 1463 CB ARG A 94 2.971 8.576 -4.816 1.00 11.35 C ATOM 1464 CG ARG A 94 2.373 9.679 -5.720 1.00 43.24 C ATOM 1465 CD ARG A 94 2.826 11.095 -5.335 1.00 62.12 C ATOM 1466 NE ARG A 94 2.298 12.111 -6.262 1.00 51.24 N ATOM 1467 CZ ARG A 94 2.849 13.318 -6.481 1.00 24.22 C ATOM 1468 NH1 ARG A 94 3.965 13.689 -5.848 1.00 72.02 N ATOM 1469 NH2 ARG A 94 2.283 14.147 -7.346 1.00 4.14 N ATOM 0 H ARG A 94 4.559 8.074 -6.722 1.00 14.31 H new ATOM 0 HA ARG A 94 4.797 9.575 -4.276 1.00 71.14 H new ATOM 0 HB2 ARG A 94 2.673 7.604 -5.209 1.00 11.35 H new ATOM 0 HB3 ARG A 94 2.534 8.666 -3.821 1.00 11.35 H new ATOM 0 HG2 ARG A 94 2.656 9.484 -6.754 1.00 43.24 H new ATOM 0 HG3 ARG A 94 1.285 9.628 -5.672 1.00 43.24 H new ATOM 0 HD2 ARG A 94 2.493 11.320 -4.322 1.00 62.12 H new ATOM 0 HD3 ARG A 94 3.915 11.139 -5.330 1.00 62.12 H new ATOM 0 HE ARG A 94 1.449 11.881 -6.778 1.00 51.24 H new ATOM 0 HH11 ARG A 94 4.412 13.053 -5.187 1.00 72.02 H new ATOM 0 HH12 ARG A 94 4.370 14.608 -6.025 1.00 72.02 H new ATOM 0 HH21 ARG A 94 1.435 13.868 -7.840 1.00 4.14 H new ATOM 0 HH22 ARG A 94 2.695 15.064 -7.518 1.00 4.14 H new ATOM 1483 N VAL A 95 5.172 6.288 -4.252 1.00 4.51 N ATOM 1484 CA VAL A 95 5.722 5.140 -3.511 1.00 43.13 C ATOM 1485 C VAL A 95 7.142 5.454 -3.011 1.00 74.40 C ATOM 1486 O VAL A 95 7.458 5.272 -1.823 1.00 51.31 O ATOM 1487 CB VAL A 95 5.718 3.837 -4.411 1.00 5.15 C ATOM 1488 CG1 VAL A 95 6.548 2.685 -3.792 1.00 64.11 C ATOM 1489 CG2 VAL A 95 4.266 3.368 -4.689 1.00 63.15 C ATOM 0 H VAL A 95 4.934 6.068 -5.219 1.00 4.51 H new ATOM 0 HA VAL A 95 5.087 4.953 -2.645 1.00 43.13 H new ATOM 0 HB VAL A 95 6.194 4.104 -5.355 1.00 5.15 H new ATOM 0 HG11 VAL A 95 6.512 1.816 -4.449 1.00 64.11 H new ATOM 0 HG12 VAL A 95 7.583 3.006 -3.672 1.00 64.11 H new ATOM 0 HG13 VAL A 95 6.135 2.421 -2.819 1.00 64.11 H new ATOM 0 HG21 VAL A 95 4.286 2.472 -5.309 1.00 63.15 H new ATOM 0 HG22 VAL A 95 3.768 3.146 -3.745 1.00 63.15 H new ATOM 0 HG23 VAL A 95 3.722 4.157 -5.209 1.00 63.15 H new ATOM 1499 N ARG A 96 7.981 5.961 -3.931 1.00 44.41 N ATOM 1500 CA ARG A 96 9.397 6.196 -3.649 1.00 60.31 C ATOM 1501 C ARG A 96 9.601 7.400 -2.706 1.00 42.12 C ATOM 1502 O ARG A 96 10.394 7.302 -1.770 1.00 54.13 O ATOM 1503 CB ARG A 96 10.230 6.333 -4.961 1.00 1.30 C ATOM 1504 CG ARG A 96 9.999 7.619 -5.764 1.00 64.55 C ATOM 1505 CD ARG A 96 10.751 7.640 -7.107 1.00 25.11 C ATOM 1506 NE ARG A 96 10.495 8.884 -7.848 1.00 32.32 N ATOM 1507 CZ ARG A 96 10.975 9.185 -9.067 1.00 43.32 C ATOM 1508 NH1 ARG A 96 11.766 8.339 -9.727 1.00 2.24 N ATOM 1509 NH2 ARG A 96 10.659 10.341 -9.626 1.00 51.12 N ATOM 0 H ARG A 96 7.696 6.215 -4.877 1.00 44.41 H new ATOM 0 HA ARG A 96 9.772 5.317 -3.124 1.00 60.31 H new ATOM 0 HB2 ARG A 96 11.288 6.271 -4.706 1.00 1.30 H new ATOM 0 HB3 ARG A 96 10.006 5.481 -5.603 1.00 1.30 H new ATOM 0 HG2 ARG A 96 8.932 7.736 -5.951 1.00 64.55 H new ATOM 0 HG3 ARG A 96 10.313 8.474 -5.166 1.00 64.55 H new ATOM 0 HD2 ARG A 96 11.821 7.536 -6.928 1.00 25.11 H new ATOM 0 HD3 ARG A 96 10.444 6.786 -7.711 1.00 25.11 H new ATOM 0 HE ARG A 96 9.901 9.580 -7.397 1.00 32.32 H new ATOM 0 HH11 ARG A 96 12.018 7.444 -9.308 1.00 2.24 H new ATOM 0 HH12 ARG A 96 12.119 8.587 -10.651 1.00 2.24 H new ATOM 0 HH21 ARG A 96 10.055 10.998 -9.132 1.00 51.12 H new ATOM 0 HH22 ARG A 96 11.020 10.576 -10.551 1.00 51.12 H new ATOM 1523 N GLU A 97 8.839 8.508 -2.912 1.00 60.31 N ATOM 1524 CA GLU A 97 8.986 9.734 -2.090 1.00 2.34 C ATOM 1525 C GLU A 97 8.458 9.481 -0.667 1.00 32.02 C ATOM 1526 O GLU A 97 8.949 10.080 0.298 1.00 54.21 O ATOM 1527 CB GLU A 97 8.283 10.960 -2.746 1.00 24.02 C ATOM 1528 CG GLU A 97 6.742 10.884 -2.812 1.00 41.30 C ATOM 1529 CD GLU A 97 6.104 12.018 -3.641 1.00 1.23 C ATOM 1530 OE1 GLU A 97 6.233 12.008 -4.891 1.00 13.41 O ATOM 1531 OE2 GLU A 97 5.464 12.922 -3.060 1.00 51.23 O ATOM 0 H GLU A 97 8.123 8.575 -3.635 1.00 60.31 H new ATOM 0 HA GLU A 97 10.047 9.976 -2.030 1.00 2.34 H new ATOM 0 HB2 GLU A 97 8.562 11.856 -2.192 1.00 24.02 H new ATOM 0 HB3 GLU A 97 8.668 11.079 -3.759 1.00 24.02 H new ATOM 0 HG2 GLU A 97 6.452 9.924 -3.240 1.00 41.30 H new ATOM 0 HG3 GLU A 97 6.341 10.916 -1.799 1.00 41.30 H new ATOM 1538 N PHE A 98 7.468 8.563 -0.555 1.00 23.52 N ATOM 1539 CA PHE A 98 6.945 8.080 0.728 1.00 63.33 C ATOM 1540 C PHE A 98 8.058 7.361 1.511 1.00 73.34 C ATOM 1541 O PHE A 98 8.296 7.664 2.677 1.00 61.31 O ATOM 1542 CB PHE A 98 5.750 7.123 0.470 1.00 2.43 C ATOM 1543 CG PHE A 98 5.172 6.459 1.718 1.00 71.04 C ATOM 1544 CD1 PHE A 98 4.194 7.098 2.474 1.00 4.43 C ATOM 1545 CD2 PHE A 98 5.617 5.198 2.136 1.00 5.34 C ATOM 1546 CE1 PHE A 98 3.677 6.499 3.595 1.00 13.34 C ATOM 1547 CE2 PHE A 98 5.099 4.611 3.258 1.00 64.42 C ATOM 1548 CZ PHE A 98 4.136 5.257 3.986 1.00 70.51 C ATOM 0 H PHE A 98 7.012 8.139 -1.363 1.00 23.52 H new ATOM 0 HA PHE A 98 6.598 8.925 1.323 1.00 63.33 H new ATOM 0 HB2 PHE A 98 4.957 7.683 -0.026 1.00 2.43 H new ATOM 0 HB3 PHE A 98 6.071 6.344 -0.222 1.00 2.43 H new ATOM 0 HD1 PHE A 98 3.839 8.073 2.176 1.00 4.43 H new ATOM 0 HD2 PHE A 98 6.377 4.684 1.566 1.00 5.34 H new ATOM 0 HE1 PHE A 98 2.912 6.998 4.171 1.00 13.34 H new ATOM 0 HE2 PHE A 98 5.450 3.638 3.569 1.00 64.42 H new ATOM 0 HZ PHE A 98 3.732 4.791 4.873 1.00 70.51 H new ATOM 1558 N LEU A 99 8.736 6.406 0.841 1.00 53.11 N ATOM 1559 CA LEU A 99 9.814 5.603 1.460 1.00 33.22 C ATOM 1560 C LEU A 99 11.085 6.451 1.724 1.00 52.11 C ATOM 1561 O LEU A 99 11.956 6.032 2.495 1.00 23.20 O ATOM 1562 CB LEU A 99 10.135 4.360 0.578 1.00 34.51 C ATOM 1563 CG LEU A 99 8.989 3.301 0.449 1.00 2.13 C ATOM 1564 CD1 LEU A 99 9.373 2.160 -0.510 1.00 63.13 C ATOM 1565 CD2 LEU A 99 8.582 2.742 1.829 1.00 63.02 C ATOM 0 H LEU A 99 8.555 6.170 -0.135 1.00 53.11 H new ATOM 0 HA LEU A 99 9.460 5.256 2.430 1.00 33.22 H new ATOM 0 HB2 LEU A 99 10.399 4.706 -0.422 1.00 34.51 H new ATOM 0 HB3 LEU A 99 11.016 3.866 0.987 1.00 34.51 H new ATOM 0 HG LEU A 99 8.126 3.814 0.024 1.00 2.13 H new ATOM 0 HD11 LEU A 99 8.552 1.446 -0.573 1.00 63.13 H new ATOM 0 HD12 LEU A 99 9.574 2.569 -1.500 1.00 63.13 H new ATOM 0 HD13 LEU A 99 10.265 1.656 -0.137 1.00 63.13 H new ATOM 0 HD21 LEU A 99 7.784 2.010 1.704 1.00 63.02 H new ATOM 0 HD22 LEU A 99 9.443 2.265 2.297 1.00 63.02 H new ATOM 0 HD23 LEU A 99 8.231 3.557 2.462 1.00 63.02 H new ATOM 1577 N LYS A 100 11.179 7.640 1.089 1.00 32.51 N ATOM 1578 CA LYS A 100 12.288 8.588 1.319 1.00 0.55 C ATOM 1579 C LYS A 100 12.003 9.500 2.534 1.00 11.15 C ATOM 1580 O LYS A 100 12.926 9.819 3.290 1.00 24.24 O ATOM 1581 CB LYS A 100 12.569 9.449 0.049 1.00 40.13 C ATOM 1582 CG LYS A 100 13.186 8.673 -1.144 1.00 50.50 C ATOM 1583 CD LYS A 100 14.562 8.037 -0.806 1.00 2.01 C ATOM 1584 CE LYS A 100 15.176 7.290 -2.000 1.00 13.40 C ATOM 1585 NZ LYS A 100 16.446 6.613 -1.646 1.00 32.24 N ATOM 0 H LYS A 100 10.493 7.966 0.408 1.00 32.51 H new ATOM 0 HA LYS A 100 13.179 7.998 1.536 1.00 0.55 H new ATOM 0 HB2 LYS A 100 11.634 9.904 -0.277 1.00 40.13 H new ATOM 0 HB3 LYS A 100 13.242 10.262 0.321 1.00 40.13 H new ATOM 0 HG2 LYS A 100 12.496 7.889 -1.456 1.00 50.50 H new ATOM 0 HG3 LYS A 100 13.303 9.350 -1.990 1.00 50.50 H new ATOM 0 HD2 LYS A 100 15.248 8.818 -0.478 1.00 2.01 H new ATOM 0 HD3 LYS A 100 14.444 7.346 0.029 1.00 2.01 H new ATOM 0 HE2 LYS A 100 14.464 6.552 -2.369 1.00 13.40 H new ATOM 0 HE3 LYS A 100 15.356 7.994 -2.813 1.00 13.40 H new ATOM 0 HZ1 LYS A 100 16.823 6.123 -2.482 1.00 32.24 H new ATOM 0 HZ2 LYS A 100 17.136 7.319 -1.318 1.00 32.24 H new ATOM 0 HZ3 LYS A 100 16.272 5.922 -0.889 1.00 32.24 H new ATOM 1599 N THR A 101 10.727 9.903 2.735 1.00 72.44 N ATOM 1600 CA THR A 101 10.353 10.858 3.809 1.00 71.12 C ATOM 1601 C THR A 101 10.005 10.113 5.123 1.00 32.33 C ATOM 1602 O THR A 101 10.174 10.656 6.215 1.00 0.23 O ATOM 1603 CB THR A 101 9.148 11.771 3.365 1.00 12.24 C ATOM 1604 OG1 THR A 101 8.931 12.815 4.328 1.00 75.23 O ATOM 1605 CG2 THR A 101 7.830 10.986 3.181 1.00 3.42 C ATOM 0 H THR A 101 9.940 9.584 2.170 1.00 72.44 H new ATOM 0 HA THR A 101 11.217 11.496 3.993 1.00 71.12 H new ATOM 0 HB THR A 101 9.426 12.190 2.398 1.00 12.24 H new ATOM 0 HG1 THR A 101 8.181 13.376 4.039 1.00 75.23 H new ATOM 0 HG21 THR A 101 7.039 11.670 2.875 1.00 3.42 H new ATOM 0 HG22 THR A 101 7.965 10.222 2.415 1.00 3.42 H new ATOM 0 HG23 THR A 101 7.555 10.511 4.123 1.00 3.42 H new ATOM 1613 N ALA A 102 9.516 8.869 4.992 1.00 5.11 N ATOM 1614 CA ALA A 102 9.061 8.037 6.131 1.00 23.34 C ATOM 1615 C ALA A 102 9.977 6.818 6.370 1.00 71.30 C ATOM 1616 O ALA A 102 9.587 5.904 7.098 1.00 32.22 O ATOM 1617 CB ALA A 102 7.609 7.591 5.872 1.00 52.20 C ATOM 0 H ALA A 102 9.422 8.404 4.089 1.00 5.11 H new ATOM 0 HA ALA A 102 9.110 8.638 7.039 1.00 23.34 H new ATOM 0 HB1 ALA A 102 7.263 6.978 6.704 1.00 52.20 H new ATOM 0 HB2 ALA A 102 6.970 8.469 5.778 1.00 52.20 H new ATOM 0 HB3 ALA A 102 7.566 7.010 4.951 1.00 52.20 H new