USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=28 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= 0.461 K(o=0.39,f=-2.6) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0615 K(o=0.39,f=-1.7) USER MOD Set 1.3: A 70 GLN :FLIP amide:sc= -0.233 F(o=-1.6,f=0.39) USER MOD Set 1.4: A 84 LYS NZ :NH3+ -104:sc= 0.227 (180deg=0) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc=-0.00867 X(o=-0.0087,f=-0.0087) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -71:sc= 1.08 USER MOD Single : A 10 THR OG1 : rot 55:sc= 0.0416 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 0.315 USER MOD Single : A 19 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.47) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.609 (180deg=0.345) USER MOD Single : A 24 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.077) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 26 TYR OH : rot 80:sc= -0.577 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 51:sc= 0.295 USER MOD Single : A 36 SER OG : rot 160:sc= -0.254 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 46 SER OG : rot 73:sc= 0.00104 USER MOD Single : A 47 MET CE :methyl -145:sc= -0.565 (180deg=-2.11) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 0.743 (180deg=0.098) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= -0.489! (180deg=-0.602!) USER MOD Single : A 59 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= -0.815 (180deg=-2.64!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.456 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 43:sc= 0.648 USER MOD Single : A 92 THR OG1 : rot -88:sc= 0.289 USER MOD Single : A 93 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.56) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -79:sc= 0.996 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.371 2.296 12.745 1.00 52.21 N ATOM 21 CA GLY A 2 4.707 2.316 11.315 1.00 42.35 C ATOM 22 C GLY A 2 3.813 3.241 10.504 1.00 21.02 C ATOM 23 O GLY A 2 2.922 3.897 11.060 1.00 31.10 O ATOM 0 HA2 GLY A 2 5.745 2.628 11.196 1.00 42.35 H new ATOM 0 HA3 GLY A 2 4.630 1.305 10.916 1.00 42.35 H new ATOM 27 N LYS A 3 4.044 3.295 9.185 1.00 51.22 N ATOM 28 CA LYS A 3 3.253 4.138 8.284 1.00 0.44 C ATOM 29 C LYS A 3 3.156 3.467 6.903 1.00 60.22 C ATOM 30 O LYS A 3 4.135 3.396 6.179 1.00 63.11 O ATOM 31 CB LYS A 3 3.877 5.563 8.195 1.00 14.35 C ATOM 32 CG LYS A 3 2.976 6.597 7.491 1.00 4.31 C ATOM 33 CD LYS A 3 3.637 7.984 7.352 1.00 73.12 C ATOM 34 CE LYS A 3 3.881 8.683 8.696 1.00 14.03 C ATOM 35 NZ LYS A 3 4.458 10.047 8.505 1.00 71.11 N ATOM 0 H LYS A 3 4.777 2.761 8.718 1.00 51.22 H new ATOM 0 HA LYS A 3 2.242 4.250 8.676 1.00 0.44 H new ATOM 0 HB2 LYS A 3 4.099 5.915 9.202 1.00 14.35 H new ATOM 0 HB3 LYS A 3 4.826 5.501 7.663 1.00 14.35 H new ATOM 0 HG2 LYS A 3 2.713 6.226 6.500 1.00 4.31 H new ATOM 0 HG3 LYS A 3 2.046 6.699 8.050 1.00 4.31 H new ATOM 0 HD2 LYS A 3 4.588 7.874 6.831 1.00 73.12 H new ATOM 0 HD3 LYS A 3 3.005 8.618 6.731 1.00 73.12 H new ATOM 0 HE2 LYS A 3 2.942 8.757 9.245 1.00 14.03 H new ATOM 0 HE3 LYS A 3 4.558 8.082 9.303 1.00 14.03 H new ATOM 0 HZ1 LYS A 3 4.611 10.492 9.432 1.00 71.11 H new ATOM 0 HZ2 LYS A 3 5.366 9.973 8.003 1.00 71.11 H new ATOM 0 HZ3 LYS A 3 3.800 10.627 7.947 1.00 71.11 H new ATOM 49 N VAL A 4 1.964 2.963 6.565 1.00 44.34 N ATOM 50 CA VAL A 4 1.718 2.221 5.312 1.00 10.35 C ATOM 51 C VAL A 4 1.144 3.163 4.234 1.00 12.44 C ATOM 52 O VAL A 4 0.359 4.040 4.552 1.00 65.51 O ATOM 53 CB VAL A 4 0.713 1.031 5.558 1.00 41.25 C ATOM 54 CG1 VAL A 4 0.540 0.162 4.288 1.00 63.41 C ATOM 55 CG2 VAL A 4 1.150 0.179 6.777 1.00 42.00 C ATOM 0 H VAL A 4 1.135 3.056 7.152 1.00 44.34 H new ATOM 0 HA VAL A 4 2.670 1.816 4.967 1.00 10.35 H new ATOM 0 HB VAL A 4 -0.262 1.461 5.787 1.00 41.25 H new ATOM 0 HG11 VAL A 4 -0.159 -0.648 4.494 1.00 63.41 H new ATOM 0 HG12 VAL A 4 0.153 0.778 3.476 1.00 63.41 H new ATOM 0 HG13 VAL A 4 1.504 -0.256 3.999 1.00 63.41 H new ATOM 0 HG21 VAL A 4 0.440 -0.635 6.925 1.00 42.00 H new ATOM 0 HG22 VAL A 4 2.143 -0.233 6.596 1.00 42.00 H new ATOM 0 HG23 VAL A 4 1.175 0.805 7.669 1.00 42.00 H new ATOM 65 N LEU A 5 1.561 2.982 2.972 1.00 24.23 N ATOM 66 CA LEU A 5 0.962 3.666 1.812 1.00 31.11 C ATOM 67 C LEU A 5 0.082 2.663 1.062 1.00 3.31 C ATOM 68 O LEU A 5 0.585 1.712 0.467 1.00 62.22 O ATOM 69 CB LEU A 5 2.057 4.226 0.864 1.00 11.15 C ATOM 70 CG LEU A 5 1.540 4.995 -0.394 1.00 23.23 C ATOM 71 CD1 LEU A 5 0.720 6.247 -0.008 1.00 53.30 C ATOM 72 CD2 LEU A 5 2.705 5.354 -1.345 1.00 11.33 C ATOM 0 H LEU A 5 2.326 2.355 2.724 1.00 24.23 H new ATOM 0 HA LEU A 5 0.366 4.509 2.160 1.00 31.11 H new ATOM 0 HB2 LEU A 5 2.699 4.895 1.437 1.00 11.15 H new ATOM 0 HB3 LEU A 5 2.679 3.396 0.529 1.00 11.15 H new ATOM 0 HG LEU A 5 0.866 4.326 -0.929 1.00 23.23 H new ATOM 0 HD11 LEU A 5 0.380 6.752 -0.912 1.00 53.30 H new ATOM 0 HD12 LEU A 5 -0.143 5.948 0.587 1.00 53.30 H new ATOM 0 HD13 LEU A 5 1.344 6.926 0.574 1.00 53.30 H new ATOM 0 HD21 LEU A 5 2.316 5.888 -2.212 1.00 11.33 H new ATOM 0 HD22 LEU A 5 3.421 5.986 -0.820 1.00 11.33 H new ATOM 0 HD23 LEU A 5 3.200 4.441 -1.674 1.00 11.33 H new ATOM 84 N LEU A 6 -1.226 2.883 1.099 1.00 74.35 N ATOM 85 CA LEU A 6 -2.206 2.003 0.475 1.00 21.12 C ATOM 86 C LEU A 6 -2.438 2.482 -0.973 1.00 23.31 C ATOM 87 O LEU A 6 -3.169 3.452 -1.197 1.00 13.30 O ATOM 88 CB LEU A 6 -3.520 2.030 1.307 1.00 1.31 C ATOM 89 CG LEU A 6 -4.565 0.932 0.969 1.00 33.23 C ATOM 90 CD1 LEU A 6 -4.043 -0.481 1.333 1.00 2.04 C ATOM 91 CD2 LEU A 6 -5.918 1.238 1.652 1.00 53.53 C ATOM 0 H LEU A 6 -1.641 3.687 1.569 1.00 74.35 H new ATOM 0 HA LEU A 6 -1.849 0.973 0.448 1.00 21.12 H new ATOM 0 HB2 LEU A 6 -3.260 1.943 2.362 1.00 1.31 H new ATOM 0 HB3 LEU A 6 -3.991 3.004 1.174 1.00 1.31 H new ATOM 0 HG LEU A 6 -4.727 0.940 -0.109 1.00 33.23 H new ATOM 0 HD11 LEU A 6 -4.800 -1.224 1.083 1.00 2.04 H new ATOM 0 HD12 LEU A 6 -3.132 -0.688 0.772 1.00 2.04 H new ATOM 0 HD13 LEU A 6 -3.829 -0.526 2.401 1.00 2.04 H new ATOM 0 HD21 LEU A 6 -6.636 0.457 1.403 1.00 53.53 H new ATOM 0 HD22 LEU A 6 -5.780 1.273 2.733 1.00 53.53 H new ATOM 0 HD23 LEU A 6 -6.292 2.200 1.303 1.00 53.53 H new ATOM 103 N VAL A 7 -1.780 1.819 -1.940 1.00 74.23 N ATOM 104 CA VAL A 7 -1.856 2.181 -3.367 1.00 42.53 C ATOM 105 C VAL A 7 -3.046 1.447 -4.007 1.00 2.34 C ATOM 106 O VAL A 7 -3.006 0.233 -4.217 1.00 20.24 O ATOM 107 CB VAL A 7 -0.519 1.825 -4.125 1.00 23.31 C ATOM 108 CG1 VAL A 7 -0.610 2.152 -5.641 1.00 24.31 C ATOM 109 CG2 VAL A 7 0.687 2.536 -3.468 1.00 44.23 C ATOM 0 H VAL A 7 -1.179 1.016 -1.754 1.00 74.23 H new ATOM 0 HA VAL A 7 -1.998 3.259 -3.448 1.00 42.53 H new ATOM 0 HB VAL A 7 -0.367 0.749 -4.040 1.00 23.31 H new ATOM 0 HG11 VAL A 7 0.331 1.892 -6.126 1.00 24.31 H new ATOM 0 HG12 VAL A 7 -1.420 1.577 -6.089 1.00 24.31 H new ATOM 0 HG13 VAL A 7 -0.804 3.216 -5.773 1.00 24.31 H new ATOM 0 HG21 VAL A 7 1.599 2.277 -4.006 1.00 44.23 H new ATOM 0 HG22 VAL A 7 0.538 3.615 -3.505 1.00 44.23 H new ATOM 0 HG23 VAL A 7 0.775 2.218 -2.429 1.00 44.23 H new ATOM 119 N ILE A 8 -4.104 2.214 -4.275 1.00 52.11 N ATOM 120 CA ILE A 8 -5.367 1.737 -4.851 1.00 30.12 C ATOM 121 C ILE A 8 -5.491 2.299 -6.277 1.00 52.15 C ATOM 122 O ILE A 8 -5.300 3.509 -6.488 1.00 4.41 O ATOM 123 CB ILE A 8 -6.591 2.231 -3.985 1.00 21.54 C ATOM 124 CG1 ILE A 8 -6.397 1.826 -2.489 1.00 75.12 C ATOM 125 CG2 ILE A 8 -7.945 1.705 -4.541 1.00 4.43 C ATOM 126 CD1 ILE A 8 -7.436 2.383 -1.544 1.00 20.34 C ATOM 0 H ILE A 8 -4.108 3.217 -4.092 1.00 52.11 H new ATOM 0 HA ILE A 8 -5.372 0.647 -4.866 1.00 30.12 H new ATOM 0 HB ILE A 8 -6.626 3.319 -4.047 1.00 21.54 H new ATOM 0 HG12 ILE A 8 -6.406 0.738 -2.417 1.00 75.12 H new ATOM 0 HG13 ILE A 8 -5.412 2.159 -2.161 1.00 75.12 H new ATOM 0 HG21 ILE A 8 -8.761 2.068 -3.916 1.00 4.43 H new ATOM 0 HG22 ILE A 8 -8.083 2.063 -5.561 1.00 4.43 H new ATOM 0 HG23 ILE A 8 -7.942 0.615 -4.536 1.00 4.43 H new ATOM 0 HD11 ILE A 8 -7.221 2.050 -0.529 1.00 20.34 H new ATOM 0 HD12 ILE A 8 -7.414 3.472 -1.580 1.00 20.34 H new ATOM 0 HD13 ILE A 8 -8.424 2.030 -1.840 1.00 20.34 H new ATOM 138 N SER A 9 -5.796 1.426 -7.242 1.00 45.34 N ATOM 139 CA SER A 9 -6.004 1.818 -8.645 1.00 75.40 C ATOM 140 C SER A 9 -7.032 0.865 -9.278 1.00 40.32 C ATOM 141 O SER A 9 -7.086 -0.322 -8.922 1.00 43.42 O ATOM 142 CB SER A 9 -4.670 1.753 -9.437 1.00 53.24 C ATOM 143 OG SER A 9 -3.581 2.312 -8.719 1.00 52.35 O ATOM 0 H SER A 9 -5.906 0.426 -7.075 1.00 45.34 H new ATOM 0 HA SER A 9 -6.371 2.844 -8.680 1.00 75.40 H new ATOM 0 HB2 SER A 9 -4.446 0.714 -9.679 1.00 53.24 H new ATOM 0 HB3 SER A 9 -4.787 2.282 -10.383 1.00 53.24 H new ATOM 0 HG SER A 9 -3.681 3.286 -8.680 1.00 52.35 H new ATOM 149 N THR A 10 -7.825 1.385 -10.224 1.00 24.10 N ATOM 150 CA THR A 10 -8.792 0.592 -10.998 1.00 42.53 C ATOM 151 C THR A 10 -8.099 -0.105 -12.192 1.00 1.31 C ATOM 152 O THR A 10 -8.699 -0.952 -12.861 1.00 22.33 O ATOM 153 CB THR A 10 -9.947 1.523 -11.502 1.00 73.15 C ATOM 154 OG1 THR A 10 -9.405 2.595 -12.296 1.00 51.31 O ATOM 155 CG2 THR A 10 -10.730 2.136 -10.326 1.00 1.21 C ATOM 0 H THR A 10 -7.814 2.373 -10.476 1.00 24.10 H new ATOM 0 HA THR A 10 -9.210 -0.182 -10.354 1.00 42.53 H new ATOM 0 HB THR A 10 -10.623 0.910 -12.098 1.00 73.15 H new ATOM 0 HG1 THR A 10 -8.864 2.222 -13.023 1.00 51.31 H new ATOM 0 HG21 THR A 10 -11.524 2.776 -10.712 1.00 1.21 H new ATOM 0 HG22 THR A 10 -11.167 1.339 -9.725 1.00 1.21 H new ATOM 0 HG23 THR A 10 -10.055 2.728 -9.708 1.00 1.21 H new ATOM 163 N ASP A 11 -6.827 0.274 -12.439 1.00 65.05 N ATOM 164 CA ASP A 11 -6.015 -0.249 -13.547 1.00 45.05 C ATOM 165 C ASP A 11 -4.889 -1.134 -12.988 1.00 42.42 C ATOM 166 O ASP A 11 -3.803 -0.642 -12.638 1.00 10.15 O ATOM 167 CB ASP A 11 -5.432 0.920 -14.387 1.00 63.01 C ATOM 168 CG ASP A 11 -6.498 1.743 -15.138 1.00 52.21 C ATOM 169 OD1 ASP A 11 -7.307 2.427 -14.478 1.00 34.00 O ATOM 170 OD2 ASP A 11 -6.521 1.727 -16.389 1.00 71.32 O ATOM 0 H ASP A 11 -6.334 0.959 -11.866 1.00 65.05 H new ATOM 0 HA ASP A 11 -6.644 -0.853 -14.200 1.00 45.05 H new ATOM 0 HB2 ASP A 11 -4.872 1.584 -13.728 1.00 63.01 H new ATOM 0 HB3 ASP A 11 -4.723 0.517 -15.110 1.00 63.01 H new ATOM 175 N THR A 12 -5.176 -2.446 -12.893 1.00 33.31 N ATOM 176 CA THR A 12 -4.237 -3.470 -12.387 1.00 64.21 C ATOM 177 C THR A 12 -2.930 -3.511 -13.228 1.00 13.33 C ATOM 178 O THR A 12 -1.851 -3.816 -12.705 1.00 1.34 O ATOM 179 CB THR A 12 -4.932 -4.877 -12.380 1.00 44.53 C ATOM 180 OG1 THR A 12 -6.193 -4.790 -11.689 1.00 14.23 O ATOM 181 CG2 THR A 12 -4.066 -5.956 -11.708 1.00 71.03 C ATOM 0 H THR A 12 -6.079 -2.832 -13.169 1.00 33.31 H new ATOM 0 HA THR A 12 -3.962 -3.202 -11.367 1.00 64.21 H new ATOM 0 HB THR A 12 -5.081 -5.168 -13.420 1.00 44.53 H new ATOM 0 HG1 THR A 12 -6.626 -5.669 -11.687 1.00 14.23 H new ATOM 0 HG21 THR A 12 -4.592 -6.910 -11.729 1.00 71.03 H new ATOM 0 HG22 THR A 12 -3.122 -6.050 -12.244 1.00 71.03 H new ATOM 0 HG23 THR A 12 -3.870 -5.673 -10.674 1.00 71.03 H new ATOM 189 N ASN A 13 -3.061 -3.162 -14.521 1.00 64.21 N ATOM 190 CA ASN A 13 -1.932 -3.040 -15.467 1.00 14.05 C ATOM 191 C ASN A 13 -0.934 -1.959 -15.007 1.00 55.13 C ATOM 192 O ASN A 13 0.288 -2.154 -15.098 1.00 32.32 O ATOM 193 CB ASN A 13 -2.458 -2.720 -16.901 1.00 55.41 C ATOM 194 CG ASN A 13 -3.258 -3.867 -17.540 1.00 22.43 C ATOM 195 OD1 ASN A 13 -3.861 -4.693 -16.850 1.00 25.50 O ATOM 196 ND2 ASN A 13 -3.279 -3.921 -18.866 1.00 12.32 N ATOM 0 H ASN A 13 -3.965 -2.954 -14.945 1.00 64.21 H new ATOM 0 HA ASN A 13 -1.406 -3.995 -15.490 1.00 14.05 H new ATOM 0 HB2 ASN A 13 -3.088 -1.831 -16.857 1.00 55.41 H new ATOM 0 HB3 ASN A 13 -1.611 -2.479 -17.543 1.00 55.41 H new ATOM 0 HD21 ASN A 13 -3.803 -4.658 -19.338 1.00 12.32 H new ATOM 0 HD22 ASN A 13 -2.772 -3.225 -19.413 1.00 12.32 H new ATOM 203 N ILE A 14 -1.466 -0.836 -14.488 1.00 43.51 N ATOM 204 CA ILE A 14 -0.646 0.285 -14.003 1.00 71.01 C ATOM 205 C ILE A 14 0.020 -0.095 -12.667 1.00 0.24 C ATOM 206 O ILE A 14 1.216 0.165 -12.469 1.00 75.24 O ATOM 207 CB ILE A 14 -1.511 1.590 -13.837 1.00 63.23 C ATOM 208 CG1 ILE A 14 -2.118 2.032 -15.210 1.00 21.44 C ATOM 209 CG2 ILE A 14 -0.708 2.737 -13.194 1.00 72.43 C ATOM 210 CD1 ILE A 14 -1.110 2.355 -16.312 1.00 63.11 C ATOM 0 H ILE A 14 -2.470 -0.683 -14.394 1.00 43.51 H new ATOM 0 HA ILE A 14 0.129 0.492 -14.742 1.00 71.01 H new ATOM 0 HB ILE A 14 -2.330 1.352 -13.158 1.00 63.23 H new ATOM 0 HG12 ILE A 14 -2.776 1.239 -15.567 1.00 21.44 H new ATOM 0 HG13 ILE A 14 -2.740 2.912 -15.044 1.00 21.44 H new ATOM 0 HG21 ILE A 14 -1.344 3.617 -13.099 1.00 72.43 H new ATOM 0 HG22 ILE A 14 -0.362 2.430 -12.207 1.00 72.43 H new ATOM 0 HG23 ILE A 14 0.151 2.976 -13.821 1.00 72.43 H new ATOM 0 HD11 ILE A 14 -1.642 2.649 -17.217 1.00 63.11 H new ATOM 0 HD12 ILE A 14 -0.466 3.172 -15.988 1.00 63.11 H new ATOM 0 HD13 ILE A 14 -0.502 1.474 -16.519 1.00 63.11 H new ATOM 222 N ILE A 15 -0.772 -0.744 -11.776 1.00 2.41 N ATOM 223 CA ILE A 15 -0.286 -1.227 -10.458 1.00 53.42 C ATOM 224 C ILE A 15 0.917 -2.165 -10.655 1.00 25.32 C ATOM 225 O ILE A 15 1.921 -2.021 -9.981 1.00 32.01 O ATOM 226 CB ILE A 15 -1.398 -1.999 -9.636 1.00 42.35 C ATOM 227 CG1 ILE A 15 -2.673 -1.127 -9.478 1.00 74.33 C ATOM 228 CG2 ILE A 15 -0.871 -2.456 -8.242 1.00 14.10 C ATOM 229 CD1 ILE A 15 -3.817 -1.801 -8.740 1.00 24.44 C ATOM 0 H ILE A 15 -1.757 -0.946 -11.949 1.00 2.41 H new ATOM 0 HA ILE A 15 -0.003 -0.342 -9.889 1.00 53.42 H new ATOM 0 HB ILE A 15 -1.657 -2.894 -10.201 1.00 42.35 H new ATOM 0 HG12 ILE A 15 -2.407 -0.212 -8.949 1.00 74.33 H new ATOM 0 HG13 ILE A 15 -3.021 -0.834 -10.468 1.00 74.33 H new ATOM 0 HG21 ILE A 15 -1.663 -2.982 -7.708 1.00 14.10 H new ATOM 0 HG22 ILE A 15 -0.019 -3.122 -8.376 1.00 14.10 H new ATOM 0 HG23 ILE A 15 -0.562 -1.584 -7.666 1.00 14.10 H new ATOM 0 HD11 ILE A 15 -4.663 -1.117 -8.678 1.00 24.44 H new ATOM 0 HD12 ILE A 15 -4.116 -2.701 -9.277 1.00 24.44 H new ATOM 0 HD13 ILE A 15 -3.493 -2.069 -7.734 1.00 24.44 H new ATOM 241 N SER A 16 0.782 -3.080 -11.633 1.00 35.01 N ATOM 242 CA SER A 16 1.789 -4.114 -11.960 1.00 13.04 C ATOM 243 C SER A 16 3.146 -3.492 -12.331 1.00 4.32 C ATOM 244 O SER A 16 4.186 -3.896 -11.809 1.00 3.12 O ATOM 245 CB SER A 16 1.269 -5.003 -13.121 1.00 1.53 C ATOM 246 OG SER A 16 2.162 -6.066 -13.401 1.00 4.44 O ATOM 0 H SER A 16 -0.044 -3.125 -12.230 1.00 35.01 H new ATOM 0 HA SER A 16 1.943 -4.727 -11.072 1.00 13.04 H new ATOM 0 HB2 SER A 16 0.291 -5.407 -12.861 1.00 1.53 H new ATOM 0 HB3 SER A 16 1.135 -4.394 -14.015 1.00 1.53 H new ATOM 0 HG SER A 16 1.805 -6.608 -14.135 1.00 4.44 H new ATOM 252 N SER A 17 3.103 -2.490 -13.215 1.00 31.13 N ATOM 253 CA SER A 17 4.298 -1.802 -13.722 1.00 34.15 C ATOM 254 C SER A 17 5.042 -1.043 -12.589 1.00 53.04 C ATOM 255 O SER A 17 6.261 -1.205 -12.402 1.00 14.40 O ATOM 256 CB SER A 17 3.861 -0.841 -14.846 1.00 32.50 C ATOM 257 OG SER A 17 3.192 -1.540 -15.891 1.00 14.24 O ATOM 0 H SER A 17 2.231 -2.130 -13.603 1.00 31.13 H new ATOM 0 HA SER A 17 5.002 -2.535 -14.116 1.00 34.15 H new ATOM 0 HB2 SER A 17 3.202 -0.075 -14.437 1.00 32.50 H new ATOM 0 HB3 SER A 17 4.734 -0.328 -15.249 1.00 32.50 H new ATOM 0 HG SER A 17 2.260 -1.700 -15.633 1.00 14.24 H new ATOM 263 N VAL A 18 4.274 -0.254 -11.819 1.00 34.50 N ATOM 264 CA VAL A 18 4.781 0.535 -10.671 1.00 11.15 C ATOM 265 C VAL A 18 5.359 -0.383 -9.577 1.00 32.31 C ATOM 266 O VAL A 18 6.427 -0.110 -9.015 1.00 0.31 O ATOM 267 CB VAL A 18 3.612 1.402 -10.068 1.00 24.21 C ATOM 268 CG1 VAL A 18 4.025 2.121 -8.759 1.00 44.15 C ATOM 269 CG2 VAL A 18 3.080 2.401 -11.122 1.00 71.44 C ATOM 0 H VAL A 18 3.272 -0.141 -11.973 1.00 34.50 H new ATOM 0 HA VAL A 18 5.579 1.185 -11.029 1.00 11.15 H new ATOM 0 HB VAL A 18 2.804 0.721 -9.801 1.00 24.21 H new ATOM 0 HG11 VAL A 18 3.185 2.705 -8.384 1.00 44.15 H new ATOM 0 HG12 VAL A 18 4.314 1.381 -8.013 1.00 44.15 H new ATOM 0 HG13 VAL A 18 4.867 2.784 -8.958 1.00 44.15 H new ATOM 0 HG21 VAL A 18 2.273 2.992 -10.689 1.00 71.44 H new ATOM 0 HG22 VAL A 18 3.887 3.064 -11.435 1.00 71.44 H new ATOM 0 HG23 VAL A 18 2.705 1.853 -11.986 1.00 71.44 H new ATOM 279 N GLN A 19 4.634 -1.475 -9.324 1.00 54.03 N ATOM 280 CA GLN A 19 4.940 -2.450 -8.273 1.00 60.42 C ATOM 281 C GLN A 19 6.269 -3.146 -8.547 1.00 54.14 C ATOM 282 O GLN A 19 7.147 -3.144 -7.699 1.00 75.20 O ATOM 283 CB GLN A 19 3.807 -3.495 -8.194 1.00 14.20 C ATOM 284 CG GLN A 19 4.047 -4.653 -7.222 1.00 64.52 C ATOM 285 CD GLN A 19 2.978 -5.744 -7.315 1.00 51.50 C ATOM 286 OE1 GLN A 19 3.276 -6.925 -7.124 1.00 22.31 O ATOM 287 NE2 GLN A 19 1.722 -5.358 -7.557 1.00 31.13 N ATOM 0 H GLN A 19 3.797 -1.712 -9.857 1.00 54.03 H new ATOM 0 HA GLN A 19 5.020 -1.923 -7.322 1.00 60.42 H new ATOM 0 HB2 GLN A 19 2.887 -2.987 -7.906 1.00 14.20 H new ATOM 0 HB3 GLN A 19 3.646 -3.907 -9.190 1.00 14.20 H new ATOM 0 HG2 GLN A 19 5.024 -5.092 -7.423 1.00 64.52 H new ATOM 0 HG3 GLN A 19 4.075 -4.265 -6.204 1.00 64.52 H new ATOM 0 HE21 GLN A 19 1.512 -4.372 -7.710 1.00 31.13 H new ATOM 0 HE22 GLN A 19 0.973 -6.050 -7.588 1.00 31.13 H new ATOM 296 N GLU A 20 6.399 -3.728 -9.753 1.00 73.04 N ATOM 297 CA GLU A 20 7.614 -4.453 -10.163 1.00 12.35 C ATOM 298 C GLU A 20 8.829 -3.512 -10.209 1.00 64.01 C ATOM 299 O GLU A 20 9.931 -3.919 -9.845 1.00 1.05 O ATOM 300 CB GLU A 20 7.409 -5.148 -11.530 1.00 11.13 C ATOM 301 CG GLU A 20 6.307 -6.226 -11.538 1.00 61.45 C ATOM 302 CD GLU A 20 6.586 -7.408 -10.591 1.00 40.44 C ATOM 303 OE1 GLU A 20 7.341 -8.327 -10.975 1.00 11.10 O ATOM 304 OE2 GLU A 20 6.053 -7.429 -9.462 1.00 53.43 O ATOM 0 H GLU A 20 5.670 -3.709 -10.466 1.00 73.04 H new ATOM 0 HA GLU A 20 7.810 -5.223 -9.417 1.00 12.35 H new ATOM 0 HB2 GLU A 20 7.165 -4.391 -12.276 1.00 11.13 H new ATOM 0 HB3 GLU A 20 8.350 -5.605 -11.836 1.00 11.13 H new ATOM 0 HG2 GLU A 20 5.359 -5.765 -11.259 1.00 61.45 H new ATOM 0 HG3 GLU A 20 6.191 -6.606 -12.553 1.00 61.45 H new ATOM 311 N ARG A 21 8.598 -2.245 -10.599 1.00 43.23 N ATOM 312 CA ARG A 21 9.646 -1.212 -10.596 1.00 50.14 C ATOM 313 C ARG A 21 10.125 -0.938 -9.152 1.00 41.21 C ATOM 314 O ARG A 21 11.331 -0.904 -8.883 1.00 3.44 O ATOM 315 CB ARG A 21 9.122 0.086 -11.282 1.00 32.23 C ATOM 316 CG ARG A 21 10.100 1.280 -11.225 1.00 63.23 C ATOM 317 CD ARG A 21 9.894 2.317 -12.346 1.00 61.42 C ATOM 318 NE ARG A 21 8.558 2.948 -12.342 1.00 21.24 N ATOM 319 CZ ARG A 21 8.089 3.756 -13.312 1.00 11.23 C ATOM 320 NH1 ARG A 21 8.827 4.039 -14.387 1.00 4.10 N ATOM 321 NH2 ARG A 21 6.885 4.298 -13.196 1.00 64.14 N ATOM 0 H ARG A 21 7.689 -1.912 -10.922 1.00 43.23 H new ATOM 0 HA ARG A 21 10.503 -1.569 -11.167 1.00 50.14 H new ATOM 0 HB2 ARG A 21 8.898 -0.135 -12.326 1.00 32.23 H new ATOM 0 HB3 ARG A 21 8.184 0.378 -10.810 1.00 32.23 H new ATOM 0 HG2 ARG A 21 9.993 1.777 -10.261 1.00 63.23 H new ATOM 0 HG3 ARG A 21 11.121 0.902 -11.278 1.00 63.23 H new ATOM 0 HD2 ARG A 21 10.652 3.094 -12.252 1.00 61.42 H new ATOM 0 HD3 ARG A 21 10.053 1.832 -13.309 1.00 61.42 H new ATOM 0 HE ARG A 21 7.947 2.758 -11.548 1.00 21.24 H new ATOM 0 HH11 ARG A 21 9.761 3.641 -14.483 1.00 4.10 H new ATOM 0 HH12 ARG A 21 8.457 4.653 -15.113 1.00 4.10 H new ATOM 0 HH21 ARG A 21 6.315 4.103 -12.373 1.00 64.14 H new ATOM 0 HH22 ARG A 21 6.528 4.910 -13.930 1.00 64.14 H new ATOM 335 N ALA A 22 9.158 -0.835 -8.231 1.00 35.54 N ATOM 336 CA ALA A 22 9.420 -0.534 -6.812 1.00 70.33 C ATOM 337 C ALA A 22 10.068 -1.741 -6.089 1.00 61.24 C ATOM 338 O ALA A 22 10.858 -1.559 -5.178 1.00 70.01 O ATOM 339 CB ALA A 22 8.115 -0.106 -6.125 1.00 50.32 C ATOM 0 H ALA A 22 8.169 -0.958 -8.447 1.00 35.54 H new ATOM 0 HA ALA A 22 10.132 0.289 -6.755 1.00 70.33 H new ATOM 0 HB1 ALA A 22 8.312 0.116 -5.076 1.00 50.32 H new ATOM 0 HB2 ALA A 22 7.720 0.783 -6.616 1.00 50.32 H new ATOM 0 HB3 ALA A 22 7.386 -0.913 -6.194 1.00 50.32 H new ATOM 345 N LYS A 23 9.714 -2.969 -6.513 1.00 3.10 N ATOM 346 CA LYS A 23 10.309 -4.225 -5.987 1.00 44.23 C ATOM 347 C LYS A 23 11.770 -4.404 -6.440 1.00 40.42 C ATOM 348 O LYS A 23 12.567 -5.030 -5.739 1.00 45.24 O ATOM 349 CB LYS A 23 9.462 -5.448 -6.433 1.00 51.03 C ATOM 350 CG LYS A 23 8.059 -5.516 -5.790 1.00 42.20 C ATOM 351 CD LYS A 23 7.134 -6.577 -6.431 1.00 33.02 C ATOM 352 CE LYS A 23 7.640 -8.015 -6.275 1.00 31.41 C ATOM 353 NZ LYS A 23 6.764 -8.976 -7.000 1.00 14.23 N ATOM 0 H LYS A 23 9.007 -3.125 -7.231 1.00 3.10 H new ATOM 0 HA LYS A 23 10.306 -4.157 -4.899 1.00 44.23 H new ATOM 0 HB2 LYS A 23 9.352 -5.423 -7.517 1.00 51.03 H new ATOM 0 HB3 LYS A 23 10.006 -6.361 -6.189 1.00 51.03 H new ATOM 0 HG2 LYS A 23 8.166 -5.734 -4.727 1.00 42.20 H new ATOM 0 HG3 LYS A 23 7.585 -4.538 -5.869 1.00 42.20 H new ATOM 0 HD2 LYS A 23 6.143 -6.500 -5.983 1.00 33.02 H new ATOM 0 HD3 LYS A 23 7.022 -6.354 -7.492 1.00 33.02 H new ATOM 0 HE2 LYS A 23 8.658 -8.088 -6.656 1.00 31.41 H new ATOM 0 HE3 LYS A 23 7.676 -8.278 -5.218 1.00 31.41 H new ATOM 0 HZ1 LYS A 23 7.295 -9.848 -7.199 1.00 14.23 H new ATOM 0 HZ2 LYS A 23 5.936 -9.202 -6.413 1.00 14.23 H new ATOM 0 HZ3 LYS A 23 6.448 -8.551 -7.895 1.00 14.23 H new ATOM 367 N HIS A 24 12.105 -3.874 -7.627 1.00 71.33 N ATOM 368 CA HIS A 24 13.478 -3.954 -8.173 1.00 65.31 C ATOM 369 C HIS A 24 14.375 -2.867 -7.543 1.00 73.22 C ATOM 370 O HIS A 24 15.586 -3.059 -7.381 1.00 53.23 O ATOM 371 CB HIS A 24 13.454 -3.810 -9.722 1.00 63.03 C ATOM 372 CG HIS A 24 12.715 -4.907 -10.457 1.00 53.30 C ATOM 373 ND1 HIS A 24 12.423 -4.836 -11.803 1.00 51.23 N ATOM 374 CD2 HIS A 24 12.187 -6.086 -10.029 1.00 5.32 C ATOM 375 CE1 HIS A 24 11.749 -5.914 -12.167 1.00 41.24 C ATOM 376 NE2 HIS A 24 11.595 -6.684 -11.113 1.00 41.34 N ATOM 0 H HIS A 24 11.446 -3.384 -8.231 1.00 71.33 H new ATOM 0 HA HIS A 24 13.894 -4.930 -7.922 1.00 65.31 H new ATOM 0 HB2 HIS A 24 12.998 -2.853 -9.975 1.00 63.03 H new ATOM 0 HB3 HIS A 24 14.481 -3.779 -10.085 1.00 63.03 H new ATOM 0 HD2 HIS A 24 12.227 -6.478 -9.023 1.00 5.32 H new ATOM 0 HE1 HIS A 24 11.386 -6.126 -13.162 1.00 41.24 H new ATOM 0 HE2 HIS A 24 11.112 -7.583 -11.102 1.00 41.34 H new ATOM 385 N ASN A 25 13.753 -1.729 -7.192 1.00 33.14 N ATOM 386 CA ASN A 25 14.451 -0.530 -6.668 1.00 30.51 C ATOM 387 C ASN A 25 14.519 -0.537 -5.125 1.00 51.11 C ATOM 388 O ASN A 25 15.429 0.060 -4.534 1.00 15.43 O ATOM 389 CB ASN A 25 13.727 0.758 -7.178 1.00 64.42 C ATOM 390 CG ASN A 25 13.893 1.065 -8.687 1.00 63.10 C ATOM 391 OD1 ASN A 25 14.152 0.061 -9.519 1.00 63.25 O flip ATOM 392 ND2 ASN A 25 13.786 2.218 -9.099 1.00 73.21 N flip ATOM 0 H ASN A 25 12.743 -1.609 -7.262 1.00 33.14 H new ATOM 0 HA ASN A 25 15.477 -0.543 -7.036 1.00 30.51 H new ATOM 0 HB2 ASN A 25 12.663 0.666 -6.959 1.00 64.42 H new ATOM 0 HB3 ASN A 25 14.097 1.611 -6.609 1.00 64.42 H new ATOM 0 HD21 ASN A 25 13.587 2.976 -8.447 1.00 73.21 H new ATOM 0 HD22 ASN A 25 13.896 2.417 -10.093 1.00 73.21 H new ATOM 399 N TYR A 26 13.542 -1.198 -4.474 1.00 52.40 N ATOM 400 CA TYR A 26 13.396 -1.208 -2.992 1.00 21.10 C ATOM 401 C TYR A 26 13.110 -2.648 -2.514 1.00 12.11 C ATOM 402 O TYR A 26 12.481 -3.422 -3.246 1.00 23.30 O ATOM 403 CB TYR A 26 12.238 -0.259 -2.528 1.00 31.20 C ATOM 404 CG TYR A 26 12.298 1.143 -3.147 1.00 44.32 C ATOM 405 CD1 TYR A 26 13.231 2.082 -2.709 1.00 23.03 C ATOM 406 CD2 TYR A 26 11.473 1.499 -4.223 1.00 35.24 C ATOM 407 CE1 TYR A 26 13.348 3.308 -3.324 1.00 50.31 C ATOM 408 CE2 TYR A 26 11.581 2.734 -4.825 1.00 61.52 C ATOM 409 CZ TYR A 26 12.524 3.628 -4.373 1.00 24.55 C ATOM 410 OH TYR A 26 12.671 4.833 -4.996 1.00 73.44 O ATOM 0 H TYR A 26 12.827 -1.743 -4.955 1.00 52.40 H new ATOM 0 HA TYR A 26 14.326 -0.847 -2.553 1.00 21.10 H new ATOM 0 HB2 TYR A 26 11.282 -0.717 -2.782 1.00 31.20 H new ATOM 0 HB3 TYR A 26 12.269 -0.168 -1.442 1.00 31.20 H new ATOM 0 HD1 TYR A 26 13.872 1.844 -1.873 1.00 23.03 H new ATOM 0 HD2 TYR A 26 10.740 0.794 -4.586 1.00 35.24 H new ATOM 0 HE1 TYR A 26 14.087 4.017 -2.981 1.00 50.31 H new ATOM 0 HE2 TYR A 26 10.930 2.998 -5.645 1.00 61.52 H new ATOM 0 HH TYR A 26 13.421 4.787 -5.625 1.00 73.44 H new ATOM 420 N PRO A 27 13.564 -3.034 -1.275 1.00 73.42 N ATOM 421 CA PRO A 27 13.327 -4.393 -0.726 1.00 53.25 C ATOM 422 C PRO A 27 11.842 -4.667 -0.386 1.00 70.43 C ATOM 423 O PRO A 27 11.008 -3.745 -0.313 1.00 54.54 O ATOM 424 CB PRO A 27 14.229 -4.425 0.537 1.00 0.11 C ATOM 425 CG PRO A 27 14.354 -2.999 0.952 1.00 13.22 C ATOM 426 CD PRO A 27 14.365 -2.197 -0.328 1.00 63.24 C ATOM 0 HA PRO A 27 13.565 -5.174 -1.448 1.00 53.25 H new ATOM 0 HB2 PRO A 27 13.782 -5.029 1.327 1.00 0.11 H new ATOM 0 HB3 PRO A 27 15.204 -4.860 0.316 1.00 0.11 H new ATOM 0 HG2 PRO A 27 13.522 -2.704 1.591 1.00 13.22 H new ATOM 0 HG3 PRO A 27 15.268 -2.837 1.523 1.00 13.22 H new ATOM 0 HD2 PRO A 27 13.919 -1.212 -0.188 1.00 63.24 H new ATOM 0 HD3 PRO A 27 15.380 -2.038 -0.693 1.00 63.24 H new ATOM 434 N GLY A 28 11.544 -5.960 -0.156 1.00 31.25 N ATOM 435 CA GLY A 28 10.190 -6.426 0.141 1.00 63.00 C ATOM 436 C GLY A 28 9.715 -6.090 1.554 1.00 3.22 C ATOM 437 O GLY A 28 8.568 -6.372 1.902 1.00 1.51 O ATOM 0 H GLY A 28 12.240 -6.705 -0.173 1.00 31.25 H new ATOM 0 HA2 GLY A 28 9.499 -5.986 -0.578 1.00 63.00 H new ATOM 0 HA3 GLY A 28 10.150 -7.506 0.002 1.00 63.00 H new ATOM 441 N ARG A 29 10.616 -5.508 2.371 1.00 15.04 N ATOM 442 CA ARG A 29 10.276 -4.932 3.689 1.00 12.43 C ATOM 443 C ARG A 29 9.427 -3.652 3.549 1.00 60.31 C ATOM 444 O ARG A 29 8.815 -3.206 4.527 1.00 11.32 O ATOM 445 CB ARG A 29 11.571 -4.607 4.485 1.00 63.01 C ATOM 446 CG ARG A 29 12.335 -5.838 5.026 1.00 25.24 C ATOM 447 CD ARG A 29 13.647 -5.447 5.734 1.00 70.24 C ATOM 448 NE ARG A 29 13.461 -4.381 6.740 1.00 3.22 N ATOM 449 CZ ARG A 29 13.042 -4.558 8.001 1.00 22.30 C ATOM 450 NH1 ARG A 29 12.746 -5.768 8.467 1.00 45.11 N ATOM 451 NH2 ARG A 29 12.914 -3.510 8.791 1.00 40.10 N ATOM 0 H ARG A 29 11.605 -5.424 2.134 1.00 15.04 H new ATOM 0 HA ARG A 29 9.689 -5.676 4.228 1.00 12.43 H new ATOM 0 HB2 ARG A 29 12.241 -4.037 3.841 1.00 63.01 H new ATOM 0 HB3 ARG A 29 11.311 -3.963 5.325 1.00 63.01 H new ATOM 0 HG2 ARG A 29 11.697 -6.382 5.723 1.00 25.24 H new ATOM 0 HG3 ARG A 29 12.557 -6.516 4.202 1.00 25.24 H new ATOM 0 HD2 ARG A 29 14.069 -6.327 6.219 1.00 70.24 H new ATOM 0 HD3 ARG A 29 14.371 -5.115 4.990 1.00 70.24 H new ATOM 0 HE ARG A 29 13.670 -3.426 6.449 1.00 3.22 H new ATOM 0 HH11 ARG A 29 12.836 -6.584 7.861 1.00 45.11 H new ATOM 0 HH12 ARG A 29 12.429 -5.880 9.430 1.00 45.11 H new ATOM 0 HH21 ARG A 29 13.133 -2.577 8.441 1.00 40.10 H new ATOM 0 HH22 ARG A 29 12.596 -3.632 9.752 1.00 40.10 H new ATOM 465 N TYR A 30 9.421 -3.050 2.346 1.00 24.12 N ATOM 466 CA TYR A 30 8.700 -1.789 2.080 1.00 74.13 C ATOM 467 C TYR A 30 7.569 -1.993 1.076 1.00 44.35 C ATOM 468 O TYR A 30 6.552 -1.318 1.164 1.00 3.15 O ATOM 469 CB TYR A 30 9.681 -0.702 1.595 1.00 3.21 C ATOM 470 CG TYR A 30 10.703 -0.325 2.665 1.00 42.35 C ATOM 471 CD1 TYR A 30 10.301 0.318 3.839 1.00 70.12 C ATOM 472 CD2 TYR A 30 12.053 -0.636 2.527 1.00 53.31 C ATOM 473 CE1 TYR A 30 11.206 0.635 4.825 1.00 53.23 C ATOM 474 CE2 TYR A 30 12.961 -0.314 3.513 1.00 3.24 C ATOM 475 CZ TYR A 30 12.534 0.318 4.659 1.00 0.14 C ATOM 476 OH TYR A 30 13.436 0.627 5.646 1.00 44.31 O ATOM 0 H TYR A 30 9.913 -3.421 1.533 1.00 24.12 H new ATOM 0 HA TYR A 30 8.248 -1.455 3.014 1.00 74.13 H new ATOM 0 HB2 TYR A 30 10.203 -1.057 0.706 1.00 3.21 H new ATOM 0 HB3 TYR A 30 9.120 0.186 1.302 1.00 3.21 H new ATOM 0 HD1 TYR A 30 9.260 0.571 3.975 1.00 70.12 H new ATOM 0 HD2 TYR A 30 12.394 -1.137 1.633 1.00 53.31 H new ATOM 0 HE1 TYR A 30 10.875 1.131 5.726 1.00 53.23 H new ATOM 0 HE2 TYR A 30 14.006 -0.557 3.387 1.00 3.24 H new ATOM 0 HH TYR A 30 14.331 0.336 5.374 1.00 44.31 H new ATOM 486 N ILE A 31 7.746 -2.907 0.118 1.00 54.01 N ATOM 487 CA ILE A 31 6.689 -3.227 -0.860 1.00 65.25 C ATOM 488 C ILE A 31 6.036 -4.562 -0.473 1.00 23.24 C ATOM 489 O ILE A 31 6.714 -5.584 -0.318 1.00 34.32 O ATOM 490 CB ILE A 31 7.193 -3.279 -2.366 1.00 63.11 C ATOM 491 CG1 ILE A 31 7.582 -1.853 -2.914 1.00 40.13 C ATOM 492 CG2 ILE A 31 6.119 -3.929 -3.293 1.00 22.44 C ATOM 493 CD1 ILE A 31 8.776 -1.181 -2.251 1.00 20.45 C ATOM 0 H ILE A 31 8.607 -3.440 -0.006 1.00 54.01 H new ATOM 0 HA ILE A 31 5.966 -2.413 -0.821 1.00 65.25 H new ATOM 0 HB ILE A 31 8.092 -3.896 -2.373 1.00 63.11 H new ATOM 0 HG12 ILE A 31 7.787 -1.940 -3.981 1.00 40.13 H new ATOM 0 HG13 ILE A 31 6.717 -1.198 -2.808 1.00 40.13 H new ATOM 0 HG21 ILE A 31 6.489 -3.952 -4.318 1.00 22.44 H new ATOM 0 HG22 ILE A 31 5.916 -4.946 -2.957 1.00 22.44 H new ATOM 0 HG23 ILE A 31 5.201 -3.343 -3.252 1.00 22.44 H new ATOM 0 HD11 ILE A 31 8.947 -0.208 -2.711 1.00 20.45 H new ATOM 0 HD12 ILE A 31 8.575 -1.050 -1.188 1.00 20.45 H new ATOM 0 HD13 ILE A 31 9.661 -1.804 -2.379 1.00 20.45 H new ATOM 505 N ARG A 32 4.714 -4.514 -0.314 1.00 75.22 N ATOM 506 CA ARG A 32 3.852 -5.670 -0.080 1.00 35.25 C ATOM 507 C ARG A 32 2.589 -5.516 -0.957 1.00 33.01 C ATOM 508 O ARG A 32 2.262 -4.411 -1.387 1.00 4.30 O ATOM 509 CB ARG A 32 3.490 -5.755 1.434 1.00 5.31 C ATOM 510 CG ARG A 32 2.503 -6.879 1.812 1.00 14.01 C ATOM 511 CD ARG A 32 3.006 -8.304 1.475 1.00 62.54 C ATOM 512 NE ARG A 32 1.894 -9.268 1.354 1.00 54.31 N ATOM 513 CZ ARG A 32 1.538 -10.183 2.262 1.00 72.23 C ATOM 514 NH1 ARG A 32 2.194 -10.302 3.407 1.00 5.51 N ATOM 515 NH2 ARG A 32 0.496 -10.961 2.018 1.00 23.53 N ATOM 0 H ARG A 32 4.196 -3.636 -0.346 1.00 75.22 H new ATOM 0 HA ARG A 32 4.360 -6.596 -0.349 1.00 35.25 H new ATOM 0 HB2 ARG A 32 4.409 -5.894 2.004 1.00 5.31 H new ATOM 0 HB3 ARG A 32 3.064 -4.800 1.743 1.00 5.31 H new ATOM 0 HG2 ARG A 32 2.296 -6.822 2.881 1.00 14.01 H new ATOM 0 HG3 ARG A 32 1.559 -6.707 1.295 1.00 14.01 H new ATOM 0 HD2 ARG A 32 3.568 -8.279 0.541 1.00 62.54 H new ATOM 0 HD3 ARG A 32 3.694 -8.639 2.252 1.00 62.54 H new ATOM 0 HE ARG A 32 1.345 -9.233 0.495 1.00 54.31 H new ATOM 0 HH11 ARG A 32 2.985 -9.690 3.608 1.00 5.51 H new ATOM 0 HH12 ARG A 32 1.908 -11.006 4.088 1.00 5.51 H new ATOM 0 HH21 ARG A 32 -0.024 -10.858 1.147 1.00 23.53 H new ATOM 0 HH22 ARG A 32 0.213 -11.663 2.701 1.00 23.53 H new ATOM 529 N THR A 33 1.923 -6.634 -1.273 1.00 5.24 N ATOM 530 CA THR A 33 0.625 -6.644 -1.961 1.00 35.14 C ATOM 531 C THR A 33 -0.446 -7.302 -1.080 1.00 52.11 C ATOM 532 O THR A 33 -0.144 -8.195 -0.280 1.00 33.53 O ATOM 533 CB THR A 33 0.736 -7.421 -3.307 1.00 74.12 C ATOM 534 OG1 THR A 33 1.277 -8.733 -3.071 1.00 63.22 O ATOM 535 CG2 THR A 33 1.619 -6.675 -4.312 1.00 54.42 C ATOM 0 H THR A 33 2.274 -7.567 -1.056 1.00 5.24 H new ATOM 0 HA THR A 33 0.337 -5.612 -2.161 1.00 35.14 H new ATOM 0 HB THR A 33 -0.265 -7.505 -3.729 1.00 74.12 H new ATOM 0 HG1 THR A 33 1.343 -9.217 -3.920 1.00 63.22 H new ATOM 0 HG21 THR A 33 1.675 -7.244 -5.240 1.00 54.42 H new ATOM 0 HG22 THR A 33 1.191 -5.693 -4.514 1.00 54.42 H new ATOM 0 HG23 THR A 33 2.620 -6.556 -3.898 1.00 54.42 H new ATOM 543 N ALA A 34 -1.693 -6.848 -1.236 1.00 13.11 N ATOM 544 CA ALA A 34 -2.862 -7.456 -0.591 1.00 74.23 C ATOM 545 C ALA A 34 -3.916 -7.750 -1.659 1.00 54.42 C ATOM 546 O ALA A 34 -4.488 -6.819 -2.263 1.00 44.44 O ATOM 547 CB ALA A 34 -3.417 -6.531 0.501 1.00 32.24 C ATOM 0 H ALA A 34 -1.922 -6.042 -1.818 1.00 13.11 H new ATOM 0 HA ALA A 34 -2.574 -8.390 -0.108 1.00 74.23 H new ATOM 0 HB1 ALA A 34 -4.284 -6.999 0.968 1.00 32.24 H new ATOM 0 HB2 ALA A 34 -2.649 -6.356 1.254 1.00 32.24 H new ATOM 0 HB3 ALA A 34 -3.713 -5.581 0.057 1.00 32.24 H new ATOM 553 N THR A 35 -4.130 -9.046 -1.934 1.00 21.21 N ATOM 554 CA THR A 35 -5.162 -9.494 -2.878 1.00 54.11 C ATOM 555 C THR A 35 -6.493 -9.737 -2.143 1.00 2.04 C ATOM 556 O THR A 35 -7.543 -9.868 -2.779 1.00 63.12 O ATOM 557 CB THR A 35 -4.707 -10.758 -3.696 1.00 53.25 C ATOM 558 OG1 THR A 35 -5.625 -11.005 -4.778 1.00 40.14 O ATOM 559 CG2 THR A 35 -4.592 -12.020 -2.829 1.00 54.15 C ATOM 0 H THR A 35 -3.597 -9.806 -1.512 1.00 21.21 H new ATOM 0 HA THR A 35 -5.317 -8.698 -3.606 1.00 54.11 H new ATOM 0 HB THR A 35 -3.713 -10.537 -4.085 1.00 53.25 H new ATOM 0 HG1 THR A 35 -5.762 -10.178 -5.286 1.00 40.14 H new ATOM 0 HG21 THR A 35 -4.275 -12.859 -3.448 1.00 54.15 H new ATOM 0 HG22 THR A 35 -3.859 -11.854 -2.040 1.00 54.15 H new ATOM 0 HG23 THR A 35 -5.561 -12.244 -2.383 1.00 54.15 H new ATOM 567 N SER A 36 -6.437 -9.747 -0.796 1.00 63.41 N ATOM 568 CA SER A 36 -7.616 -9.899 0.063 1.00 3.42 C ATOM 569 C SER A 36 -7.370 -9.243 1.439 1.00 41.34 C ATOM 570 O SER A 36 -6.238 -8.847 1.780 1.00 64.24 O ATOM 571 CB SER A 36 -7.951 -11.403 0.228 1.00 54.30 C ATOM 572 OG SER A 36 -9.109 -11.611 1.028 1.00 2.12 O ATOM 0 H SER A 36 -5.565 -9.649 -0.276 1.00 63.41 H new ATOM 0 HA SER A 36 -8.463 -9.398 -0.404 1.00 3.42 H new ATOM 0 HB2 SER A 36 -8.105 -11.849 -0.755 1.00 54.30 H new ATOM 0 HB3 SER A 36 -7.102 -11.915 0.681 1.00 54.30 H new ATOM 0 HG SER A 36 -9.472 -12.504 0.853 1.00 2.12 H new ATOM 578 N SER A 37 -8.461 -9.162 2.213 1.00 42.31 N ATOM 579 CA SER A 37 -8.462 -8.685 3.599 1.00 71.43 C ATOM 580 C SER A 37 -7.748 -9.689 4.517 1.00 50.33 C ATOM 581 O SER A 37 -7.306 -9.331 5.613 1.00 71.24 O ATOM 582 CB SER A 37 -9.911 -8.459 4.066 1.00 23.34 C ATOM 583 OG SER A 37 -10.692 -9.639 3.915 1.00 33.24 O ATOM 0 H SER A 37 -9.387 -9.433 1.883 1.00 42.31 H new ATOM 0 HA SER A 37 -7.921 -7.740 3.650 1.00 71.43 H new ATOM 0 HB2 SER A 37 -9.915 -8.149 5.111 1.00 23.34 H new ATOM 0 HB3 SER A 37 -10.358 -7.648 3.491 1.00 23.34 H new ATOM 0 HG SER A 37 -11.607 -9.467 4.221 1.00 33.24 H new ATOM 589 N GLN A 38 -7.639 -10.951 4.049 1.00 44.13 N ATOM 590 CA GLN A 38 -6.885 -12.004 4.746 1.00 44.12 C ATOM 591 C GLN A 38 -5.401 -11.607 4.829 1.00 72.41 C ATOM 592 O GLN A 38 -4.785 -11.680 5.903 1.00 62.31 O ATOM 593 CB GLN A 38 -7.045 -13.365 4.015 1.00 5.02 C ATOM 594 CG GLN A 38 -8.507 -13.799 3.752 1.00 33.33 C ATOM 595 CD GLN A 38 -9.395 -13.797 5.004 1.00 62.04 C ATOM 596 OE1 GLN A 38 -9.478 -14.792 5.724 1.00 72.13 O ATOM 597 NE2 GLN A 38 -10.081 -12.685 5.252 1.00 51.54 N ATOM 0 H GLN A 38 -8.071 -11.263 3.180 1.00 44.13 H new ATOM 0 HA GLN A 38 -7.281 -12.115 5.756 1.00 44.12 H new ATOM 0 HB2 GLN A 38 -6.521 -13.312 3.061 1.00 5.02 H new ATOM 0 HB3 GLN A 38 -6.553 -14.138 4.606 1.00 5.02 H new ATOM 0 HG2 GLN A 38 -8.944 -13.133 3.008 1.00 33.33 H new ATOM 0 HG3 GLN A 38 -8.506 -14.801 3.322 1.00 33.33 H new ATOM 0 HE21 GLN A 38 -9.987 -11.879 4.633 1.00 51.54 H new ATOM 0 HE22 GLN A 38 -10.701 -12.638 6.061 1.00 51.54 H new ATOM 606 N ASP A 39 -4.862 -11.140 3.682 1.00 20.42 N ATOM 607 CA ASP A 39 -3.497 -10.594 3.599 1.00 73.14 C ATOM 608 C ASP A 39 -3.376 -9.357 4.485 1.00 4.41 C ATOM 609 O ASP A 39 -2.507 -9.307 5.350 1.00 24.41 O ATOM 610 CB ASP A 39 -3.143 -10.196 2.146 1.00 34.40 C ATOM 611 CG ASP A 39 -3.217 -11.372 1.177 1.00 54.34 C ATOM 612 OD1 ASP A 39 -2.228 -12.133 1.079 1.00 23.21 O ATOM 613 OD2 ASP A 39 -4.261 -11.544 0.505 1.00 5.44 O ATOM 0 H ASP A 39 -5.362 -11.132 2.793 1.00 20.42 H new ATOM 0 HA ASP A 39 -2.808 -11.369 3.935 1.00 73.14 H new ATOM 0 HB2 ASP A 39 -3.824 -9.413 1.812 1.00 34.40 H new ATOM 0 HB3 ASP A 39 -2.138 -9.775 2.124 1.00 34.40 H new ATOM 618 N ILE A 40 -4.312 -8.408 4.269 1.00 30.21 N ATOM 619 CA ILE A 40 -4.332 -7.086 4.926 1.00 21.23 C ATOM 620 C ILE A 40 -4.135 -7.213 6.444 1.00 62.23 C ATOM 621 O ILE A 40 -3.165 -6.671 6.985 1.00 10.22 O ATOM 622 CB ILE A 40 -5.679 -6.328 4.596 1.00 60.41 C ATOM 623 CG1 ILE A 40 -5.663 -5.827 3.115 1.00 50.22 C ATOM 624 CG2 ILE A 40 -5.968 -5.181 5.585 1.00 62.14 C ATOM 625 CD1 ILE A 40 -6.898 -5.075 2.662 1.00 50.05 C ATOM 0 H ILE A 40 -5.088 -8.543 3.621 1.00 30.21 H new ATOM 0 HA ILE A 40 -3.499 -6.502 4.534 1.00 21.23 H new ATOM 0 HB ILE A 40 -6.498 -7.037 4.714 1.00 60.41 H new ATOM 0 HG12 ILE A 40 -4.796 -5.180 2.979 1.00 50.22 H new ATOM 0 HG13 ILE A 40 -5.524 -6.688 2.461 1.00 50.22 H new ATOM 0 HG21 ILE A 40 -6.904 -4.693 5.313 1.00 62.14 H new ATOM 0 HG22 ILE A 40 -6.048 -5.583 6.595 1.00 62.14 H new ATOM 0 HG23 ILE A 40 -5.156 -4.455 5.547 1.00 62.14 H new ATOM 0 HD11 ILE A 40 -6.780 -4.775 1.621 1.00 50.05 H new ATOM 0 HD12 ILE A 40 -7.772 -5.720 2.756 1.00 50.05 H new ATOM 0 HD13 ILE A 40 -7.032 -4.189 3.282 1.00 50.05 H new ATOM 637 N ARG A 41 -5.015 -8.011 7.083 1.00 23.10 N ATOM 638 CA ARG A 41 -4.963 -8.283 8.529 1.00 14.24 C ATOM 639 C ARG A 41 -3.554 -8.713 8.967 1.00 33.35 C ATOM 640 O ARG A 41 -2.954 -8.093 9.849 1.00 30.23 O ATOM 641 CB ARG A 41 -5.990 -9.371 8.930 1.00 12.12 C ATOM 642 CG ARG A 41 -7.452 -8.907 8.856 1.00 24.53 C ATOM 643 CD ARG A 41 -8.432 -9.960 9.395 1.00 62.14 C ATOM 644 NE ARG A 41 -7.990 -10.559 10.677 1.00 54.42 N ATOM 645 CZ ARG A 41 -8.032 -9.966 11.887 1.00 34.41 C ATOM 646 NH1 ARG A 41 -8.497 -8.732 12.043 1.00 4.10 N ATOM 647 NH2 ARG A 41 -7.583 -10.621 12.941 1.00 4.33 N ATOM 0 H ARG A 41 -5.783 -8.485 6.607 1.00 23.10 H new ATOM 0 HA ARG A 41 -5.217 -7.354 9.039 1.00 14.24 H new ATOM 0 HB2 ARG A 41 -5.861 -10.236 8.279 1.00 12.12 H new ATOM 0 HB3 ARG A 41 -5.775 -9.702 9.946 1.00 12.12 H new ATOM 0 HG2 ARG A 41 -7.566 -7.984 9.425 1.00 24.53 H new ATOM 0 HG3 ARG A 41 -7.705 -8.676 7.821 1.00 24.53 H new ATOM 0 HD2 ARG A 41 -9.411 -9.501 9.533 1.00 62.14 H new ATOM 0 HD3 ARG A 41 -8.552 -10.750 8.653 1.00 62.14 H new ATOM 0 HE ARG A 41 -7.619 -11.509 10.640 1.00 54.42 H new ATOM 0 HH11 ARG A 41 -8.834 -8.208 11.235 1.00 4.10 H new ATOM 0 HH12 ARG A 41 -8.517 -8.308 12.970 1.00 4.10 H new ATOM 0 HH21 ARG A 41 -7.210 -11.564 12.834 1.00 4.33 H new ATOM 0 HH22 ARG A 41 -7.609 -10.184 13.862 1.00 4.33 H new ATOM 661 N ASP A 42 -3.013 -9.706 8.250 1.00 64.20 N ATOM 662 CA ASP A 42 -1.707 -10.317 8.547 1.00 74.51 C ATOM 663 C ASP A 42 -0.545 -9.301 8.363 1.00 1.12 C ATOM 664 O ASP A 42 0.458 -9.355 9.094 1.00 50.04 O ATOM 665 CB ASP A 42 -1.512 -11.569 7.649 1.00 44.24 C ATOM 666 CG ASP A 42 -0.308 -12.444 8.042 1.00 31.22 C ATOM 667 OD1 ASP A 42 -0.252 -12.904 9.210 1.00 22.41 O ATOM 668 OD2 ASP A 42 0.588 -12.681 7.198 1.00 53.23 O ATOM 0 H ASP A 42 -3.474 -10.114 7.437 1.00 64.20 H new ATOM 0 HA ASP A 42 -1.691 -10.623 9.593 1.00 74.51 H new ATOM 0 HB2 ASP A 42 -2.417 -12.176 7.689 1.00 44.24 H new ATOM 0 HB3 ASP A 42 -1.390 -11.246 6.615 1.00 44.24 H new ATOM 673 N ILE A 43 -0.718 -8.353 7.412 1.00 12.24 N ATOM 674 CA ILE A 43 0.268 -7.284 7.135 1.00 51.25 C ATOM 675 C ILE A 43 0.310 -6.285 8.314 1.00 32.33 C ATOM 676 O ILE A 43 1.391 -5.948 8.826 1.00 61.22 O ATOM 677 CB ILE A 43 -0.076 -6.524 5.788 1.00 71.44 C ATOM 678 CG1 ILE A 43 -0.091 -7.513 4.570 1.00 0.34 C ATOM 679 CG2 ILE A 43 0.904 -5.352 5.527 1.00 23.32 C ATOM 680 CD1 ILE A 43 -0.724 -6.943 3.307 1.00 21.23 C ATOM 0 H ILE A 43 -1.545 -8.309 6.816 1.00 12.24 H new ATOM 0 HA ILE A 43 1.248 -7.747 7.021 1.00 51.25 H new ATOM 0 HB ILE A 43 -1.075 -6.103 5.900 1.00 71.44 H new ATOM 0 HG12 ILE A 43 0.933 -7.811 4.346 1.00 0.34 H new ATOM 0 HG13 ILE A 43 -0.630 -8.416 4.857 1.00 0.34 H new ATOM 0 HG21 ILE A 43 0.636 -4.855 4.595 1.00 23.32 H new ATOM 0 HG22 ILE A 43 0.845 -4.638 6.349 1.00 23.32 H new ATOM 0 HG23 ILE A 43 1.921 -5.737 5.454 1.00 23.32 H new ATOM 0 HD11 ILE A 43 -0.693 -7.691 2.515 1.00 21.23 H new ATOM 0 HD12 ILE A 43 -1.760 -6.672 3.510 1.00 21.23 H new ATOM 0 HD13 ILE A 43 -0.172 -6.057 2.991 1.00 21.23 H new ATOM 692 N ILE A 44 -0.893 -5.857 8.752 1.00 0.32 N ATOM 693 CA ILE A 44 -1.066 -4.910 9.867 1.00 30.31 C ATOM 694 C ILE A 44 -0.463 -5.496 11.156 1.00 74.53 C ATOM 695 O ILE A 44 0.235 -4.796 11.880 1.00 23.32 O ATOM 696 CB ILE A 44 -2.589 -4.548 10.085 1.00 22.11 C ATOM 697 CG1 ILE A 44 -3.178 -3.888 8.794 1.00 25.24 C ATOM 698 CG2 ILE A 44 -2.795 -3.628 11.322 1.00 15.32 C ATOM 699 CD1 ILE A 44 -4.645 -3.512 8.886 1.00 30.11 C ATOM 0 H ILE A 44 -1.774 -6.162 8.338 1.00 0.32 H new ATOM 0 HA ILE A 44 -0.540 -3.990 9.614 1.00 30.31 H new ATOM 0 HB ILE A 44 -3.127 -5.475 10.283 1.00 22.11 H new ATOM 0 HG12 ILE A 44 -2.601 -2.992 8.565 1.00 25.24 H new ATOM 0 HG13 ILE A 44 -3.045 -4.575 7.958 1.00 25.24 H new ATOM 0 HG21 ILE A 44 -3.856 -3.403 11.436 1.00 15.32 H new ATOM 0 HG22 ILE A 44 -2.433 -4.135 12.217 1.00 15.32 H new ATOM 0 HG23 ILE A 44 -2.241 -2.700 11.182 1.00 15.32 H new ATOM 0 HD11 ILE A 44 -4.965 -3.062 7.946 1.00 30.11 H new ATOM 0 HD12 ILE A 44 -5.238 -4.406 9.081 1.00 30.11 H new ATOM 0 HD13 ILE A 44 -4.787 -2.798 9.697 1.00 30.11 H new ATOM 711 N LYS A 45 -0.679 -6.810 11.374 1.00 25.31 N ATOM 712 CA LYS A 45 -0.166 -7.543 12.561 1.00 41.22 C ATOM 713 C LYS A 45 1.369 -7.418 12.710 1.00 14.21 C ATOM 714 O LYS A 45 1.888 -7.355 13.835 1.00 63.33 O ATOM 715 CB LYS A 45 -0.596 -9.038 12.510 1.00 42.25 C ATOM 716 CG LYS A 45 -2.122 -9.258 12.609 1.00 41.32 C ATOM 717 CD LYS A 45 -2.552 -10.737 12.431 1.00 13.15 C ATOM 718 CE LYS A 45 -2.161 -11.627 13.622 1.00 4.34 C ATOM 719 NZ LYS A 45 -2.847 -11.220 14.878 1.00 73.30 N ATOM 0 H LYS A 45 -1.214 -7.397 10.734 1.00 25.31 H new ATOM 0 HA LYS A 45 -0.610 -7.080 13.442 1.00 41.22 H new ATOM 0 HB2 LYS A 45 -0.236 -9.477 11.580 1.00 42.25 H new ATOM 0 HB3 LYS A 45 -0.109 -9.573 13.325 1.00 42.25 H new ATOM 0 HG2 LYS A 45 -2.469 -8.902 13.579 1.00 41.32 H new ATOM 0 HG3 LYS A 45 -2.617 -8.651 11.851 1.00 41.32 H new ATOM 0 HD2 LYS A 45 -3.632 -10.781 12.292 1.00 13.15 H new ATOM 0 HD3 LYS A 45 -2.097 -11.134 11.524 1.00 13.15 H new ATOM 0 HE2 LYS A 45 -2.408 -12.664 13.395 1.00 4.34 H new ATOM 0 HE3 LYS A 45 -1.082 -11.581 13.768 1.00 4.34 H new ATOM 0 HZ1 LYS A 45 -2.703 -11.950 15.605 1.00 73.30 H new ATOM 0 HZ2 LYS A 45 -2.453 -10.317 15.212 1.00 73.30 H new ATOM 0 HZ3 LYS A 45 -3.865 -11.108 14.697 1.00 73.30 H new ATOM 733 N SER A 46 2.078 -7.355 11.572 1.00 23.30 N ATOM 734 CA SER A 46 3.536 -7.151 11.546 1.00 41.40 C ATOM 735 C SER A 46 3.892 -5.663 11.728 1.00 74.11 C ATOM 736 O SER A 46 4.890 -5.327 12.379 1.00 34.21 O ATOM 737 CB SER A 46 4.095 -7.664 10.203 1.00 4.12 C ATOM 738 OG SER A 46 3.684 -9.000 9.953 1.00 53.52 O ATOM 0 H SER A 46 1.659 -7.444 10.646 1.00 23.30 H new ATOM 0 HA SER A 46 3.982 -7.706 12.371 1.00 41.40 H new ATOM 0 HB2 SER A 46 3.754 -7.018 9.394 1.00 4.12 H new ATOM 0 HB3 SER A 46 5.184 -7.612 10.215 1.00 4.12 H new ATOM 0 HG SER A 46 2.734 -9.010 9.712 1.00 53.52 H new ATOM 744 N MET A 47 3.050 -4.783 11.155 1.00 42.55 N ATOM 745 CA MET A 47 3.277 -3.319 11.159 1.00 73.42 C ATOM 746 C MET A 47 2.994 -2.677 12.531 1.00 63.12 C ATOM 747 O MET A 47 3.431 -1.555 12.785 1.00 13.11 O ATOM 748 CB MET A 47 2.423 -2.649 10.056 1.00 31.44 C ATOM 749 CG MET A 47 2.885 -2.984 8.630 1.00 32.13 C ATOM 750 SD MET A 47 4.588 -2.461 8.292 1.00 13.43 S ATOM 751 CE MET A 47 4.490 -0.700 8.608 1.00 21.33 C ATOM 0 H MET A 47 2.194 -5.062 10.676 1.00 42.55 H new ATOM 0 HA MET A 47 4.334 -3.154 10.951 1.00 73.42 H new ATOM 0 HB2 MET A 47 1.385 -2.959 10.174 1.00 31.44 H new ATOM 0 HB3 MET A 47 2.451 -1.568 10.193 1.00 31.44 H new ATOM 0 HG2 MET A 47 2.803 -4.059 8.471 1.00 32.13 H new ATOM 0 HG3 MET A 47 2.216 -2.505 7.916 1.00 32.13 H new ATOM 0 HE1 MET A 47 5.145 -0.169 7.917 1.00 21.33 H new ATOM 0 HE2 MET A 47 3.464 -0.362 8.467 1.00 21.33 H new ATOM 0 HE3 MET A 47 4.802 -0.496 9.632 1.00 21.33 H new ATOM 761 N LYS A 48 2.272 -3.396 13.408 1.00 50.04 N ATOM 762 CA LYS A 48 2.022 -2.940 14.796 1.00 2.52 C ATOM 763 C LYS A 48 3.314 -3.006 15.621 1.00 5.21 C ATOM 764 O LYS A 48 3.523 -2.217 16.549 1.00 52.32 O ATOM 765 CB LYS A 48 0.901 -3.780 15.466 1.00 50.13 C ATOM 766 CG LYS A 48 -0.433 -3.735 14.698 1.00 65.22 C ATOM 767 CD LYS A 48 -1.635 -4.329 15.459 1.00 12.22 C ATOM 768 CE LYS A 48 -1.521 -5.823 15.754 1.00 33.53 C ATOM 769 NZ LYS A 48 -2.738 -6.331 16.452 1.00 2.31 N ATOM 0 H LYS A 48 1.849 -4.297 13.185 1.00 50.04 H new ATOM 0 HA LYS A 48 1.686 -1.904 14.758 1.00 2.52 H new ATOM 0 HB2 LYS A 48 1.231 -4.816 15.547 1.00 50.13 H new ATOM 0 HB3 LYS A 48 0.741 -3.416 16.481 1.00 50.13 H new ATOM 0 HG2 LYS A 48 -0.656 -2.698 14.446 1.00 65.22 H new ATOM 0 HG3 LYS A 48 -0.314 -4.273 13.758 1.00 65.22 H new ATOM 0 HD2 LYS A 48 -1.753 -3.793 16.401 1.00 12.22 H new ATOM 0 HD3 LYS A 48 -2.540 -4.154 14.877 1.00 12.22 H new ATOM 0 HE2 LYS A 48 -1.378 -6.370 14.822 1.00 33.53 H new ATOM 0 HE3 LYS A 48 -0.641 -6.008 16.370 1.00 33.53 H new ATOM 0 HZ1 LYS A 48 -2.458 -7.008 17.190 1.00 2.31 H new ATOM 0 HZ2 LYS A 48 -3.246 -5.535 16.887 1.00 2.31 H new ATOM 0 HZ3 LYS A 48 -3.359 -6.805 15.766 1.00 2.31 H new ATOM 816 N LYS A 52 8.138 1.442 11.007 1.00 33.03 N ATOM 817 CA LYS A 52 8.824 1.878 9.763 1.00 74.44 C ATOM 818 C LYS A 52 7.786 2.071 8.618 1.00 40.31 C ATOM 819 O LYS A 52 6.657 1.595 8.756 1.00 34.25 O ATOM 820 CB LYS A 52 9.959 0.846 9.417 1.00 70.55 C ATOM 821 CG LYS A 52 9.564 -0.662 9.360 1.00 22.03 C ATOM 822 CD LYS A 52 8.754 -1.038 8.100 1.00 71.43 C ATOM 823 CE LYS A 52 8.416 -2.533 8.020 1.00 44.45 C ATOM 824 NZ LYS A 52 7.410 -2.790 6.955 1.00 65.21 N ATOM 0 HA LYS A 52 9.301 2.848 9.902 1.00 74.44 H new ATOM 0 HB2 LYS A 52 10.381 1.121 8.450 1.00 70.55 H new ATOM 0 HB3 LYS A 52 10.753 0.959 10.155 1.00 70.55 H new ATOM 0 HG2 LYS A 52 10.469 -1.268 9.395 1.00 22.03 H new ATOM 0 HG3 LYS A 52 8.979 -0.910 10.246 1.00 22.03 H new ATOM 0 HD2 LYS A 52 7.829 -0.462 8.086 1.00 71.43 H new ATOM 0 HD3 LYS A 52 9.321 -0.753 7.214 1.00 71.43 H new ATOM 0 HE2 LYS A 52 9.321 -3.105 7.817 1.00 44.45 H new ATOM 0 HE3 LYS A 52 8.031 -2.876 8.981 1.00 44.45 H new ATOM 0 HZ1 LYS A 52 7.284 -3.816 6.837 1.00 65.21 H new ATOM 0 HZ2 LYS A 52 6.503 -2.358 7.223 1.00 65.21 H new ATOM 0 HZ3 LYS A 52 7.739 -2.377 6.059 1.00 65.21 H new ATOM 838 N PRO A 53 8.130 2.760 7.469 1.00 70.24 N ATOM 839 CA PRO A 53 7.178 2.933 6.344 1.00 53.54 C ATOM 840 C PRO A 53 6.915 1.634 5.546 1.00 54.11 C ATOM 841 O PRO A 53 7.653 0.650 5.661 1.00 54.13 O ATOM 842 CB PRO A 53 7.847 4.023 5.472 1.00 13.42 C ATOM 843 CG PRO A 53 9.309 3.865 5.727 1.00 60.43 C ATOM 844 CD PRO A 53 9.427 3.444 7.185 1.00 12.33 C ATOM 0 HA PRO A 53 6.185 3.210 6.697 1.00 53.54 H new ATOM 0 HB2 PRO A 53 7.612 3.886 4.417 1.00 13.42 H new ATOM 0 HB3 PRO A 53 7.502 5.019 5.749 1.00 13.42 H new ATOM 0 HG2 PRO A 53 9.743 3.115 5.066 1.00 60.43 H new ATOM 0 HG3 PRO A 53 9.842 4.798 5.544 1.00 60.43 H new ATOM 0 HD2 PRO A 53 10.274 2.775 7.340 1.00 12.33 H new ATOM 0 HD3 PRO A 53 9.576 4.304 7.838 1.00 12.33 H new ATOM 852 N LEU A 54 5.846 1.652 4.730 1.00 53.24 N ATOM 853 CA LEU A 54 5.406 0.492 3.935 1.00 5.12 C ATOM 854 C LEU A 54 4.604 0.993 2.718 1.00 72.12 C ATOM 855 O LEU A 54 4.243 2.166 2.661 1.00 21.41 O ATOM 856 CB LEU A 54 4.539 -0.473 4.806 1.00 43.22 C ATOM 857 CG LEU A 54 4.331 -1.903 4.224 1.00 34.21 C ATOM 858 CD1 LEU A 54 5.654 -2.680 4.198 1.00 63.55 C ATOM 859 CD2 LEU A 54 3.240 -2.673 4.981 1.00 25.11 C ATOM 0 H LEU A 54 5.260 2.477 4.603 1.00 53.24 H new ATOM 0 HA LEU A 54 6.278 -0.064 3.590 1.00 5.12 H new ATOM 0 HB2 LEU A 54 5.004 -0.564 5.788 1.00 43.22 H new ATOM 0 HB3 LEU A 54 3.561 -0.016 4.958 1.00 43.22 H new ATOM 0 HG LEU A 54 3.986 -1.794 3.196 1.00 34.21 H new ATOM 0 HD11 LEU A 54 5.483 -3.675 3.788 1.00 63.55 H new ATOM 0 HD12 LEU A 54 6.375 -2.150 3.576 1.00 63.55 H new ATOM 0 HD13 LEU A 54 6.045 -2.768 5.212 1.00 63.55 H new ATOM 0 HD21 LEU A 54 3.126 -3.665 4.545 1.00 25.11 H new ATOM 0 HD22 LEU A 54 3.523 -2.768 6.029 1.00 25.11 H new ATOM 0 HD23 LEU A 54 2.296 -2.133 4.907 1.00 25.11 H new ATOM 871 N VAL A 55 4.344 0.096 1.750 1.00 61.45 N ATOM 872 CA VAL A 55 3.574 0.378 0.525 1.00 35.21 C ATOM 873 C VAL A 55 2.803 -0.907 0.147 1.00 42.35 C ATOM 874 O VAL A 55 3.403 -1.848 -0.378 1.00 41.41 O ATOM 875 CB VAL A 55 4.483 0.828 -0.698 1.00 15.42 C ATOM 876 CG1 VAL A 55 3.626 1.093 -1.953 1.00 11.44 C ATOM 877 CG2 VAL A 55 5.345 2.070 -0.365 1.00 30.40 C ATOM 0 H VAL A 55 4.672 -0.869 1.799 1.00 61.45 H new ATOM 0 HA VAL A 55 2.903 1.212 0.732 1.00 35.21 H new ATOM 0 HB VAL A 55 5.165 0.003 -0.903 1.00 15.42 H new ATOM 0 HG11 VAL A 55 4.271 1.400 -2.776 1.00 11.44 H new ATOM 0 HG12 VAL A 55 3.094 0.183 -2.229 1.00 11.44 H new ATOM 0 HG13 VAL A 55 2.907 1.884 -1.742 1.00 11.44 H new ATOM 0 HG21 VAL A 55 5.948 2.338 -1.233 1.00 30.40 H new ATOM 0 HG22 VAL A 55 4.695 2.905 -0.104 1.00 30.40 H new ATOM 0 HG23 VAL A 55 6.000 1.843 0.476 1.00 30.40 H new ATOM 887 N VAL A 56 1.492 -0.959 0.446 1.00 51.21 N ATOM 888 CA VAL A 56 0.628 -2.103 0.079 1.00 20.41 C ATOM 889 C VAL A 56 -0.145 -1.795 -1.226 1.00 4.42 C ATOM 890 O VAL A 56 -0.960 -0.875 -1.264 1.00 50.23 O ATOM 891 CB VAL A 56 -0.375 -2.486 1.241 1.00 1.32 C ATOM 892 CG1 VAL A 56 -1.402 -3.559 0.797 1.00 2.20 C ATOM 893 CG2 VAL A 56 0.400 -2.965 2.491 1.00 51.11 C ATOM 0 H VAL A 56 1.002 -0.217 0.945 1.00 51.21 H new ATOM 0 HA VAL A 56 1.276 -2.964 -0.085 1.00 20.41 H new ATOM 0 HB VAL A 56 -0.935 -1.586 1.493 1.00 1.32 H new ATOM 0 HG11 VAL A 56 -2.069 -3.790 1.628 1.00 2.20 H new ATOM 0 HG12 VAL A 56 -1.985 -3.179 -0.042 1.00 2.20 H new ATOM 0 HG13 VAL A 56 -0.875 -4.463 0.493 1.00 2.20 H new ATOM 0 HG21 VAL A 56 -0.306 -3.224 3.280 1.00 51.11 H new ATOM 0 HG22 VAL A 56 0.996 -3.841 2.236 1.00 51.11 H new ATOM 0 HG23 VAL A 56 1.057 -2.168 2.839 1.00 51.11 H new ATOM 903 N PHE A 57 0.122 -2.593 -2.278 1.00 61.21 N ATOM 904 CA PHE A 57 -0.559 -2.499 -3.581 1.00 4.44 C ATOM 905 C PHE A 57 -1.837 -3.367 -3.554 1.00 43.35 C ATOM 906 O PHE A 57 -1.773 -4.583 -3.311 1.00 71.32 O ATOM 907 CB PHE A 57 0.399 -2.958 -4.715 1.00 41.34 C ATOM 908 CG PHE A 57 1.597 -2.023 -4.957 1.00 70.54 C ATOM 909 CD1 PHE A 57 1.502 -0.966 -5.866 1.00 41.24 C ATOM 910 CD2 PHE A 57 2.814 -2.197 -4.286 1.00 14.53 C ATOM 911 CE1 PHE A 57 2.568 -0.109 -6.086 1.00 61.34 C ATOM 912 CE2 PHE A 57 3.882 -1.336 -4.515 1.00 60.24 C ATOM 913 CZ PHE A 57 3.758 -0.297 -5.418 1.00 42.54 C ATOM 0 H PHE A 57 0.826 -3.330 -2.245 1.00 61.21 H new ATOM 0 HA PHE A 57 -0.842 -1.464 -3.774 1.00 4.44 H new ATOM 0 HB2 PHE A 57 0.774 -3.953 -4.476 1.00 41.34 H new ATOM 0 HB3 PHE A 57 -0.170 -3.046 -5.641 1.00 41.34 H new ATOM 0 HD1 PHE A 57 0.580 -0.814 -6.407 1.00 41.24 H new ATOM 0 HD2 PHE A 57 2.924 -3.009 -3.583 1.00 14.53 H new ATOM 0 HE1 PHE A 57 2.466 0.709 -6.784 1.00 61.34 H new ATOM 0 HE2 PHE A 57 4.812 -1.480 -3.985 1.00 60.24 H new ATOM 0 HZ PHE A 57 4.591 0.365 -5.599 1.00 42.54 H new ATOM 923 N VAL A 58 -2.986 -2.721 -3.796 1.00 21.24 N ATOM 924 CA VAL A 58 -4.311 -3.357 -3.770 1.00 21.10 C ATOM 925 C VAL A 58 -4.638 -3.943 -5.163 1.00 65.20 C ATOM 926 O VAL A 58 -5.021 -3.212 -6.083 1.00 23.23 O ATOM 927 CB VAL A 58 -5.412 -2.313 -3.324 1.00 52.20 C ATOM 928 CG1 VAL A 58 -6.819 -2.944 -3.281 1.00 31.13 C ATOM 929 CG2 VAL A 58 -5.049 -1.673 -1.961 1.00 41.21 C ATOM 0 H VAL A 58 -3.022 -1.726 -4.019 1.00 21.24 H new ATOM 0 HA VAL A 58 -4.304 -4.170 -3.045 1.00 21.10 H new ATOM 0 HB VAL A 58 -5.434 -1.524 -4.076 1.00 52.20 H new ATOM 0 HG11 VAL A 58 -7.545 -2.193 -2.970 1.00 31.13 H new ATOM 0 HG12 VAL A 58 -7.082 -3.315 -4.272 1.00 31.13 H new ATOM 0 HG13 VAL A 58 -6.825 -3.771 -2.571 1.00 31.13 H new ATOM 0 HG21 VAL A 58 -5.822 -0.959 -1.677 1.00 41.21 H new ATOM 0 HG22 VAL A 58 -4.977 -2.451 -1.201 1.00 41.21 H new ATOM 0 HG23 VAL A 58 -4.092 -1.158 -2.044 1.00 41.21 H new ATOM 939 N ASN A 59 -4.427 -5.264 -5.305 1.00 60.02 N ATOM 940 CA ASN A 59 -4.678 -6.015 -6.556 1.00 73.32 C ATOM 941 C ASN A 59 -5.711 -7.125 -6.275 1.00 52.13 C ATOM 942 O ASN A 59 -5.370 -8.150 -5.690 1.00 33.11 O ATOM 943 CB ASN A 59 -3.336 -6.626 -7.066 1.00 23.11 C ATOM 944 CG ASN A 59 -3.420 -7.389 -8.411 1.00 1.12 C ATOM 945 OD1 ASN A 59 -4.481 -7.832 -8.849 1.00 60.40 O ATOM 946 ND2 ASN A 59 -2.282 -7.595 -9.051 1.00 71.15 N ATOM 0 H ASN A 59 -4.074 -5.850 -4.548 1.00 60.02 H new ATOM 0 HA ASN A 59 -5.073 -5.351 -7.325 1.00 73.32 H new ATOM 0 HB2 ASN A 59 -2.607 -5.822 -7.169 1.00 23.11 H new ATOM 0 HB3 ASN A 59 -2.954 -7.307 -6.305 1.00 23.11 H new ATOM 0 HD21 ASN A 59 -2.275 -8.128 -9.921 1.00 71.15 H new ATOM 0 HD22 ASN A 59 -1.411 -7.221 -8.675 1.00 71.15 H new ATOM 953 N GLY A 60 -6.970 -6.906 -6.682 1.00 71.54 N ATOM 954 CA GLY A 60 -8.038 -7.905 -6.517 1.00 71.40 C ATOM 955 C GLY A 60 -8.895 -7.635 -5.288 1.00 4.22 C ATOM 956 O GLY A 60 -10.107 -7.900 -5.296 1.00 43.32 O ATOM 0 H GLY A 60 -7.275 -6.042 -7.130 1.00 71.54 H new ATOM 0 HA2 GLY A 60 -8.670 -7.908 -7.405 1.00 71.40 H new ATOM 0 HA3 GLY A 60 -7.595 -8.898 -6.438 1.00 71.40 H new ATOM 960 N ALA A 61 -8.253 -7.132 -4.218 1.00 51.03 N ATOM 961 CA ALA A 61 -8.953 -6.661 -3.012 1.00 64.41 C ATOM 962 C ALA A 61 -9.828 -5.442 -3.364 1.00 62.10 C ATOM 963 O ALA A 61 -9.409 -4.567 -4.128 1.00 35.33 O ATOM 964 CB ALA A 61 -7.943 -6.317 -1.903 1.00 25.40 C ATOM 0 H ALA A 61 -7.238 -7.041 -4.166 1.00 51.03 H new ATOM 0 HA ALA A 61 -9.599 -7.456 -2.638 1.00 64.41 H new ATOM 0 HB1 ALA A 61 -8.478 -5.970 -1.019 1.00 25.40 H new ATOM 0 HB2 ALA A 61 -7.363 -7.205 -1.651 1.00 25.40 H new ATOM 0 HB3 ALA A 61 -7.272 -5.532 -2.252 1.00 25.40 H new ATOM 970 N SER A 62 -11.055 -5.417 -2.833 1.00 62.55 N ATOM 971 CA SER A 62 -12.051 -4.369 -3.125 1.00 74.40 C ATOM 972 C SER A 62 -12.194 -3.400 -1.926 1.00 24.44 C ATOM 973 O SER A 62 -11.475 -3.524 -0.927 1.00 63.50 O ATOM 974 CB SER A 62 -13.392 -5.061 -3.461 1.00 71.24 C ATOM 975 OG SER A 62 -13.229 -6.021 -4.500 1.00 41.00 O ATOM 0 H SER A 62 -11.392 -6.127 -2.183 1.00 62.55 H new ATOM 0 HA SER A 62 -11.730 -3.769 -3.976 1.00 74.40 H new ATOM 0 HB2 SER A 62 -13.786 -5.549 -2.570 1.00 71.24 H new ATOM 0 HB3 SER A 62 -14.124 -4.313 -3.765 1.00 71.24 H new ATOM 0 HG SER A 62 -14.091 -6.445 -4.692 1.00 41.00 H new ATOM 981 N GLN A 63 -13.146 -2.451 -2.039 1.00 24.34 N ATOM 982 CA GLN A 63 -13.403 -1.405 -1.024 1.00 41.01 C ATOM 983 C GLN A 63 -13.788 -2.013 0.351 1.00 32.50 C ATOM 984 O GLN A 63 -13.477 -1.424 1.389 1.00 23.05 O ATOM 985 CB GLN A 63 -14.503 -0.428 -1.541 1.00 73.24 C ATOM 986 CG GLN A 63 -14.835 0.763 -0.614 1.00 2.43 C ATOM 987 CD GLN A 63 -13.646 1.691 -0.336 1.00 73.33 C ATOM 988 OE1 GLN A 63 -13.396 2.645 -1.076 1.00 51.10 O ATOM 989 NE2 GLN A 63 -12.904 1.423 0.726 1.00 42.21 N ATOM 0 H GLN A 63 -13.766 -2.388 -2.847 1.00 24.34 H new ATOM 0 HA GLN A 63 -12.480 -0.846 -0.869 1.00 41.01 H new ATOM 0 HB2 GLN A 63 -14.188 -0.035 -2.507 1.00 73.24 H new ATOM 0 HB3 GLN A 63 -15.417 -0.997 -1.711 1.00 73.24 H new ATOM 0 HG2 GLN A 63 -15.639 1.346 -1.063 1.00 2.43 H new ATOM 0 HG3 GLN A 63 -15.211 0.378 0.334 1.00 2.43 H new ATOM 0 HE21 GLN A 63 -13.134 0.627 1.321 1.00 42.21 H new ATOM 0 HE22 GLN A 63 -12.102 2.012 0.950 1.00 42.21 H new ATOM 998 N ASN A 64 -14.432 -3.207 0.341 1.00 63.45 N ATOM 999 CA ASN A 64 -14.731 -3.985 1.580 1.00 13.54 C ATOM 1000 C ASN A 64 -13.446 -4.226 2.387 1.00 32.23 C ATOM 1001 O ASN A 64 -13.370 -3.902 3.577 1.00 70.22 O ATOM 1002 CB ASN A 64 -15.408 -5.356 1.253 1.00 43.42 C ATOM 1003 CG ASN A 64 -16.851 -5.237 0.754 1.00 2.42 C ATOM 1004 OD1 ASN A 64 -17.231 -4.257 0.107 1.00 20.42 O ATOM 1005 ND2 ASN A 64 -17.680 -6.226 1.071 1.00 42.11 N ATOM 0 H ASN A 64 -14.758 -3.658 -0.514 1.00 63.45 H new ATOM 0 HA ASN A 64 -15.428 -3.393 2.173 1.00 13.54 H new ATOM 0 HB2 ASN A 64 -14.815 -5.871 0.497 1.00 43.42 H new ATOM 0 HB3 ASN A 64 -15.394 -5.978 2.148 1.00 43.42 H new ATOM 0 HD21 ASN A 64 -18.656 -6.187 0.779 1.00 42.11 H new ATOM 0 HD22 ASN A 64 -17.340 -7.025 1.607 1.00 42.11 H new ATOM 1012 N ASP A 65 -12.427 -4.717 1.670 1.00 43.31 N ATOM 1013 CA ASP A 65 -11.121 -5.100 2.229 1.00 12.22 C ATOM 1014 C ASP A 65 -10.355 -3.845 2.697 1.00 60.44 C ATOM 1015 O ASP A 65 -9.762 -3.828 3.783 1.00 55.23 O ATOM 1016 CB ASP A 65 -10.292 -5.856 1.148 1.00 32.03 C ATOM 1017 CG ASP A 65 -11.047 -7.026 0.476 1.00 21.22 C ATOM 1018 OD1 ASP A 65 -11.973 -6.772 -0.327 1.00 42.15 O ATOM 1019 OD2 ASP A 65 -10.739 -8.203 0.752 1.00 52.52 O ATOM 0 H ASP A 65 -12.488 -4.863 0.662 1.00 43.31 H new ATOM 0 HA ASP A 65 -11.278 -5.755 3.086 1.00 12.22 H new ATOM 0 HB2 ASP A 65 -9.985 -5.147 0.379 1.00 32.03 H new ATOM 0 HB3 ASP A 65 -9.382 -6.241 1.608 1.00 32.03 H new ATOM 1024 N VAL A 66 -10.415 -2.794 1.857 1.00 41.25 N ATOM 1025 CA VAL A 66 -9.754 -1.495 2.102 1.00 3.23 C ATOM 1026 C VAL A 66 -10.270 -0.845 3.403 1.00 43.33 C ATOM 1027 O VAL A 66 -9.487 -0.292 4.179 1.00 22.53 O ATOM 1028 CB VAL A 66 -9.970 -0.530 0.871 1.00 75.15 C ATOM 1029 CG1 VAL A 66 -9.520 0.920 1.169 1.00 13.11 C ATOM 1030 CG2 VAL A 66 -9.257 -1.087 -0.390 1.00 25.31 C ATOM 0 H VAL A 66 -10.930 -2.822 0.977 1.00 41.25 H new ATOM 0 HA VAL A 66 -8.685 -1.674 2.221 1.00 3.23 H new ATOM 0 HB VAL A 66 -11.042 -0.490 0.678 1.00 75.15 H new ATOM 0 HG11 VAL A 66 -9.690 1.542 0.290 1.00 13.11 H new ATOM 0 HG12 VAL A 66 -10.093 1.314 2.008 1.00 13.11 H new ATOM 0 HG13 VAL A 66 -8.459 0.928 1.419 1.00 13.11 H new ATOM 0 HG21 VAL A 66 -9.417 -0.409 -1.228 1.00 25.31 H new ATOM 0 HG22 VAL A 66 -8.188 -1.176 -0.194 1.00 25.31 H new ATOM 0 HG23 VAL A 66 -9.664 -2.068 -0.635 1.00 25.31 H new ATOM 1040 N ASN A 67 -11.591 -0.938 3.634 1.00 15.03 N ATOM 1041 CA ASN A 67 -12.228 -0.413 4.860 1.00 62.11 C ATOM 1042 C ASN A 67 -11.714 -1.153 6.101 1.00 64.43 C ATOM 1043 O ASN A 67 -11.456 -0.528 7.130 1.00 20.41 O ATOM 1044 CB ASN A 67 -13.776 -0.487 4.781 1.00 64.14 C ATOM 1045 CG ASN A 67 -14.364 0.449 3.725 1.00 35.52 C ATOM 1046 OD1 ASN A 67 -13.815 1.513 3.446 1.00 73.23 O ATOM 1047 ND2 ASN A 67 -15.480 0.058 3.129 1.00 24.10 N ATOM 0 H ASN A 67 -12.245 -1.375 2.984 1.00 15.03 H new ATOM 0 HA ASN A 67 -11.953 0.638 4.945 1.00 62.11 H new ATOM 0 HB2 ASN A 67 -14.075 -1.511 4.558 1.00 64.14 H new ATOM 0 HB3 ASN A 67 -14.197 -0.237 5.755 1.00 64.14 H new ATOM 0 HD21 ASN A 67 -15.910 0.646 2.415 1.00 24.10 H new ATOM 0 HD22 ASN A 67 -15.910 -0.831 3.384 1.00 24.10 H new ATOM 1054 N GLU A 68 -11.525 -2.480 5.971 1.00 3.11 N ATOM 1055 CA GLU A 68 -11.017 -3.334 7.068 1.00 41.31 C ATOM 1056 C GLU A 68 -9.571 -2.959 7.435 1.00 0.23 C ATOM 1057 O GLU A 68 -9.202 -2.978 8.616 1.00 3.14 O ATOM 1058 CB GLU A 68 -11.118 -4.832 6.682 1.00 44.34 C ATOM 1059 CG GLU A 68 -12.552 -5.273 6.345 1.00 61.42 C ATOM 1060 CD GLU A 68 -12.727 -6.790 6.200 1.00 63.32 C ATOM 1061 OE1 GLU A 68 -12.718 -7.498 7.230 1.00 62.14 O ATOM 1062 OE2 GLU A 68 -12.904 -7.278 5.069 1.00 22.22 O ATOM 0 H GLU A 68 -11.718 -2.990 5.109 1.00 3.11 H new ATOM 0 HA GLU A 68 -11.639 -3.164 7.947 1.00 41.31 H new ATOM 0 HB2 GLU A 68 -10.474 -5.024 5.824 1.00 44.34 H new ATOM 0 HB3 GLU A 68 -10.742 -5.439 7.505 1.00 44.34 H new ATOM 0 HG2 GLU A 68 -13.223 -4.914 7.126 1.00 61.42 H new ATOM 0 HG3 GLU A 68 -12.859 -4.793 5.416 1.00 61.42 H new ATOM 1069 N PHE A 69 -8.788 -2.593 6.404 1.00 43.42 N ATOM 1070 CA PHE A 69 -7.421 -2.069 6.570 1.00 34.24 C ATOM 1071 C PHE A 69 -7.428 -0.812 7.451 1.00 64.23 C ATOM 1072 O PHE A 69 -6.783 -0.775 8.494 1.00 72.40 O ATOM 1073 CB PHE A 69 -6.786 -1.753 5.179 1.00 25.52 C ATOM 1074 CG PHE A 69 -5.414 -1.072 5.246 1.00 24.23 C ATOM 1075 CD1 PHE A 69 -4.257 -1.800 5.521 1.00 61.21 C ATOM 1076 CD2 PHE A 69 -5.290 0.305 5.043 1.00 1.41 C ATOM 1077 CE1 PHE A 69 -3.027 -1.175 5.593 1.00 40.32 C ATOM 1078 CE2 PHE A 69 -4.063 0.926 5.111 1.00 3.13 C ATOM 1079 CZ PHE A 69 -2.932 0.188 5.384 1.00 22.41 C ATOM 0 H PHE A 69 -9.087 -2.653 5.430 1.00 43.42 H new ATOM 0 HA PHE A 69 -6.818 -2.832 7.063 1.00 34.24 H new ATOM 0 HB2 PHE A 69 -6.689 -2.683 4.618 1.00 25.52 H new ATOM 0 HB3 PHE A 69 -7.468 -1.113 4.619 1.00 25.52 H new ATOM 0 HD1 PHE A 69 -4.323 -2.866 5.680 1.00 61.21 H new ATOM 0 HD2 PHE A 69 -6.171 0.892 4.829 1.00 1.41 H new ATOM 0 HE1 PHE A 69 -2.140 -1.751 5.812 1.00 40.32 H new ATOM 0 HE2 PHE A 69 -3.987 1.991 4.950 1.00 3.13 H new ATOM 0 HZ PHE A 69 -1.970 0.675 5.435 1.00 22.41 H new ATOM 1089 N GLN A 70 -8.166 0.200 6.986 1.00 50.11 N ATOM 1090 CA GLN A 70 -8.284 1.514 7.642 1.00 65.25 C ATOM 1091 C GLN A 70 -8.736 1.403 9.117 1.00 74.12 C ATOM 1092 O GLN A 70 -8.138 2.025 9.993 1.00 24.32 O ATOM 1093 CB GLN A 70 -9.268 2.388 6.830 1.00 14.53 C ATOM 1094 CG GLN A 70 -8.841 2.627 5.365 1.00 44.14 C ATOM 1095 CD GLN A 70 -9.902 3.359 4.542 1.00 72.42 C ATOM 1096 OE1 GLN A 70 -10.809 2.612 3.936 1.00 4.15 O flip ATOM 1097 NE2 GLN A 70 -9.915 4.584 4.476 1.00 14.40 N flip ATOM 0 H GLN A 70 -8.711 0.132 6.126 1.00 50.11 H new ATOM 0 HA GLN A 70 -7.298 1.977 7.661 1.00 65.25 H new ATOM 0 HB2 GLN A 70 -10.249 1.914 6.838 1.00 14.53 H new ATOM 0 HB3 GLN A 70 -9.376 3.352 7.327 1.00 14.53 H new ATOM 0 HG2 GLN A 70 -7.917 3.205 5.352 1.00 44.14 H new ATOM 0 HG3 GLN A 70 -8.623 1.668 4.895 1.00 44.14 H new ATOM 0 HE21 GLN A 70 -9.199 5.128 4.957 1.00 14.40 H new ATOM 0 HE22 GLN A 70 -10.642 5.058 3.940 1.00 14.40 H new ATOM 1106 N ASN A 71 -9.779 0.586 9.354 1.00 12.30 N ATOM 1107 CA ASN A 71 -10.376 0.371 10.697 1.00 52.11 C ATOM 1108 C ASN A 71 -9.355 -0.232 11.682 1.00 12.33 C ATOM 1109 O ASN A 71 -9.131 0.310 12.777 1.00 25.20 O ATOM 1110 CB ASN A 71 -11.637 -0.540 10.597 1.00 62.34 C ATOM 1111 CG ASN A 71 -12.823 0.133 9.890 1.00 73.20 C ATOM 1112 OD1 ASN A 71 -13.044 1.335 10.026 1.00 12.15 O ATOM 1113 ND2 ASN A 71 -13.577 -0.635 9.110 1.00 3.44 N ATOM 0 H ASN A 71 -10.239 0.050 8.618 1.00 12.30 H new ATOM 0 HA ASN A 71 -10.675 1.345 11.083 1.00 52.11 H new ATOM 0 HB2 ASN A 71 -11.375 -1.453 10.062 1.00 62.34 H new ATOM 0 HB3 ASN A 71 -11.943 -0.836 11.601 1.00 62.34 H new ATOM 0 HD21 ASN A 71 -14.365 -0.230 8.604 1.00 3.44 H new ATOM 0 HD22 ASN A 71 -13.368 -1.629 9.018 1.00 3.44 H new ATOM 1120 N GLU A 72 -8.752 -1.364 11.286 1.00 24.21 N ATOM 1121 CA GLU A 72 -7.754 -2.069 12.104 1.00 61.13 C ATOM 1122 C GLU A 72 -6.495 -1.227 12.330 1.00 43.32 C ATOM 1123 O GLU A 72 -5.973 -1.202 13.436 1.00 2.13 O ATOM 1124 CB GLU A 72 -7.418 -3.436 11.473 1.00 22.15 C ATOM 1125 CG GLU A 72 -8.603 -4.423 11.478 1.00 73.12 C ATOM 1126 CD GLU A 72 -8.299 -5.761 10.786 1.00 13.35 C ATOM 1127 OE1 GLU A 72 -7.153 -6.252 10.893 1.00 42.42 O ATOM 1128 OE2 GLU A 72 -9.224 -6.353 10.175 1.00 22.22 O ATOM 0 H GLU A 72 -8.942 -1.815 10.391 1.00 24.21 H new ATOM 0 HA GLU A 72 -8.189 -2.241 13.089 1.00 61.13 H new ATOM 0 HB2 GLU A 72 -7.088 -3.282 10.446 1.00 22.15 H new ATOM 0 HB3 GLU A 72 -6.582 -3.881 12.013 1.00 22.15 H new ATOM 0 HG2 GLU A 72 -8.898 -4.617 12.509 1.00 73.12 H new ATOM 0 HG3 GLU A 72 -9.455 -3.955 10.985 1.00 73.12 H new ATOM 1135 N ALA A 73 -6.033 -0.518 11.295 1.00 20.11 N ATOM 1136 CA ALA A 73 -4.848 0.342 11.393 1.00 64.11 C ATOM 1137 C ALA A 73 -5.048 1.466 12.439 1.00 41.01 C ATOM 1138 O ALA A 73 -4.265 1.583 13.383 1.00 24.22 O ATOM 1139 CB ALA A 73 -4.506 0.916 10.013 1.00 63.34 C ATOM 0 H ALA A 73 -6.466 -0.523 10.372 1.00 20.11 H new ATOM 0 HA ALA A 73 -4.009 -0.263 11.736 1.00 64.11 H new ATOM 0 HB1 ALA A 73 -3.625 1.554 10.092 1.00 63.34 H new ATOM 0 HB2 ALA A 73 -4.302 0.100 9.320 1.00 63.34 H new ATOM 0 HB3 ALA A 73 -5.347 1.503 9.645 1.00 63.34 H new ATOM 1145 N LYS A 74 -6.131 2.255 12.274 1.00 41.24 N ATOM 1146 CA LYS A 74 -6.445 3.396 13.177 1.00 32.11 C ATOM 1147 C LYS A 74 -6.642 2.960 14.655 1.00 41.34 C ATOM 1148 O LYS A 74 -6.158 3.643 15.566 1.00 11.11 O ATOM 1149 CB LYS A 74 -7.674 4.211 12.666 1.00 52.00 C ATOM 1150 CG LYS A 74 -9.038 3.489 12.739 1.00 61.53 C ATOM 1151 CD LYS A 74 -10.215 4.336 12.183 1.00 43.20 C ATOM 1152 CE LYS A 74 -10.085 4.622 10.680 1.00 71.41 C ATOM 1153 NZ LYS A 74 -11.184 5.489 10.172 1.00 72.00 N ATOM 0 H LYS A 74 -6.808 2.126 11.522 1.00 41.24 H new ATOM 0 HA LYS A 74 -5.572 4.048 13.155 1.00 32.11 H new ATOM 0 HB2 LYS A 74 -7.741 5.132 13.244 1.00 52.00 H new ATOM 0 HB3 LYS A 74 -7.491 4.497 11.630 1.00 52.00 H new ATOM 0 HG2 LYS A 74 -8.977 2.555 12.180 1.00 61.53 H new ATOM 0 HG3 LYS A 74 -9.247 3.227 13.776 1.00 61.53 H new ATOM 0 HD2 LYS A 74 -11.153 3.812 12.369 1.00 43.20 H new ATOM 0 HD3 LYS A 74 -10.265 5.280 12.725 1.00 43.20 H new ATOM 0 HE2 LYS A 74 -9.126 5.103 10.486 1.00 71.41 H new ATOM 0 HE3 LYS A 74 -10.086 3.680 10.132 1.00 71.41 H new ATOM 0 HZ1 LYS A 74 -11.053 5.654 9.154 1.00 72.00 H new ATOM 0 HZ2 LYS A 74 -12.098 5.020 10.332 1.00 72.00 H new ATOM 0 HZ3 LYS A 74 -11.169 6.399 10.675 1.00 72.00 H new ATOM 1167 N LYS A 75 -7.307 1.803 14.896 1.00 34.02 N ATOM 1168 CA LYS A 75 -7.582 1.333 16.283 1.00 52.40 C ATOM 1169 C LYS A 75 -6.302 0.780 16.952 1.00 61.33 C ATOM 1170 O LYS A 75 -6.198 0.764 18.181 1.00 44.24 O ATOM 1171 CB LYS A 75 -8.719 0.265 16.314 1.00 45.13 C ATOM 1172 CG LYS A 75 -8.332 -1.132 15.775 1.00 35.23 C ATOM 1173 CD LYS A 75 -9.471 -2.187 15.850 1.00 14.24 C ATOM 1174 CE LYS A 75 -10.578 -2.005 14.793 1.00 51.14 C ATOM 1175 NZ LYS A 75 -11.389 -0.767 14.975 1.00 44.00 N ATOM 0 H LYS A 75 -7.659 1.185 14.164 1.00 34.02 H new ATOM 0 HA LYS A 75 -7.920 2.199 16.853 1.00 52.40 H new ATOM 0 HB2 LYS A 75 -9.064 0.156 17.342 1.00 45.13 H new ATOM 0 HB3 LYS A 75 -9.562 0.639 15.733 1.00 45.13 H new ATOM 0 HG2 LYS A 75 -8.013 -1.032 14.737 1.00 35.23 H new ATOM 0 HG3 LYS A 75 -7.474 -1.500 16.338 1.00 35.23 H new ATOM 0 HD2 LYS A 75 -9.037 -3.181 15.737 1.00 14.24 H new ATOM 0 HD3 LYS A 75 -9.922 -2.147 16.841 1.00 14.24 H new ATOM 0 HE2 LYS A 75 -10.122 -1.987 13.803 1.00 51.14 H new ATOM 0 HE3 LYS A 75 -11.241 -2.870 14.823 1.00 51.14 H new ATOM 0 HZ1 LYS A 75 -12.387 -0.971 14.764 1.00 44.00 H new ATOM 0 HZ2 LYS A 75 -11.304 -0.437 15.958 1.00 44.00 H new ATOM 0 HZ3 LYS A 75 -11.043 -0.028 14.331 1.00 44.00 H new ATOM 1189 N GLU A 76 -5.339 0.328 16.133 1.00 22.53 N ATOM 1190 CA GLU A 76 -4.056 -0.231 16.617 1.00 13.02 C ATOM 1191 C GLU A 76 -2.909 0.792 16.510 1.00 22.11 C ATOM 1192 O GLU A 76 -1.756 0.475 16.842 1.00 15.34 O ATOM 1193 CB GLU A 76 -3.724 -1.518 15.827 1.00 41.33 C ATOM 1194 CG GLU A 76 -4.787 -2.636 15.937 1.00 30.53 C ATOM 1195 CD GLU A 76 -4.987 -3.185 17.365 1.00 21.42 C ATOM 1196 OE1 GLU A 76 -4.286 -4.155 17.740 1.00 33.23 O ATOM 1197 OE2 GLU A 76 -5.848 -2.662 18.110 1.00 13.24 O ATOM 0 H GLU A 76 -5.423 0.338 15.116 1.00 22.53 H new ATOM 0 HA GLU A 76 -4.164 -0.475 17.674 1.00 13.02 H new ATOM 0 HB2 GLU A 76 -3.595 -1.260 14.776 1.00 41.33 H new ATOM 0 HB3 GLU A 76 -2.769 -1.908 16.179 1.00 41.33 H new ATOM 0 HG2 GLU A 76 -5.740 -2.253 15.571 1.00 30.53 H new ATOM 0 HG3 GLU A 76 -4.501 -3.458 15.281 1.00 30.53 H new ATOM 1204 N GLY A 77 -3.232 2.014 16.041 1.00 53.22 N ATOM 1205 CA GLY A 77 -2.273 3.129 16.000 1.00 40.54 C ATOM 1206 C GLY A 77 -1.280 3.058 14.849 1.00 23.12 C ATOM 1207 O GLY A 77 -0.274 3.784 14.840 1.00 33.05 O ATOM 0 H GLY A 77 -4.157 2.252 15.684 1.00 53.22 H new ATOM 0 HA2 GLY A 77 -2.826 4.066 15.931 1.00 40.54 H new ATOM 0 HA3 GLY A 77 -1.721 3.153 16.940 1.00 40.54 H new ATOM 1211 N VAL A 78 -1.551 2.174 13.883 1.00 4.40 N ATOM 1212 CA VAL A 78 -0.782 2.082 12.642 1.00 12.31 C ATOM 1213 C VAL A 78 -1.177 3.267 11.743 1.00 35.31 C ATOM 1214 O VAL A 78 -2.357 3.409 11.377 1.00 13.00 O ATOM 1215 CB VAL A 78 -1.045 0.716 11.893 1.00 61.34 C ATOM 1216 CG1 VAL A 78 -0.207 0.598 10.593 1.00 2.42 C ATOM 1217 CG2 VAL A 78 -0.809 -0.493 12.829 1.00 0.12 C ATOM 0 H VAL A 78 -2.314 1.500 13.942 1.00 4.40 H new ATOM 0 HA VAL A 78 0.282 2.118 12.877 1.00 12.31 H new ATOM 0 HB VAL A 78 -2.094 0.707 11.599 1.00 61.34 H new ATOM 0 HG11 VAL A 78 -0.418 -0.356 10.109 1.00 2.42 H new ATOM 0 HG12 VAL A 78 -0.467 1.413 9.917 1.00 2.42 H new ATOM 0 HG13 VAL A 78 0.854 0.654 10.838 1.00 2.42 H new ATOM 0 HG21 VAL A 78 -0.998 -1.418 12.284 1.00 0.12 H new ATOM 0 HG22 VAL A 78 0.222 -0.484 13.182 1.00 0.12 H new ATOM 0 HG23 VAL A 78 -1.485 -0.430 13.682 1.00 0.12 H new ATOM 1227 N SER A 79 -0.190 4.122 11.420 1.00 74.31 N ATOM 1228 CA SER A 79 -0.394 5.261 10.522 1.00 63.13 C ATOM 1229 C SER A 79 -0.556 4.724 9.088 1.00 44.14 C ATOM 1230 O SER A 79 0.081 3.727 8.727 1.00 61.34 O ATOM 1231 CB SER A 79 0.800 6.242 10.615 1.00 71.33 C ATOM 1232 OG SER A 79 1.045 6.643 11.954 1.00 2.32 O ATOM 0 H SER A 79 0.763 4.040 11.774 1.00 74.31 H new ATOM 0 HA SER A 79 -1.291 5.810 10.809 1.00 63.13 H new ATOM 0 HB2 SER A 79 1.693 5.768 10.207 1.00 71.33 H new ATOM 0 HB3 SER A 79 0.598 7.121 10.003 1.00 71.33 H new ATOM 0 HG SER A 79 1.806 7.260 11.977 1.00 2.32 H new ATOM 1238 N TYR A 80 -1.433 5.350 8.293 1.00 5.22 N ATOM 1239 CA TYR A 80 -1.674 4.931 6.904 1.00 22.13 C ATOM 1240 C TYR A 80 -2.078 6.140 6.043 1.00 42.13 C ATOM 1241 O TYR A 80 -2.753 7.070 6.521 1.00 64.12 O ATOM 1242 CB TYR A 80 -2.748 3.803 6.839 1.00 51.12 C ATOM 1243 CG TYR A 80 -4.166 4.214 7.281 1.00 1.14 C ATOM 1244 CD1 TYR A 80 -4.529 4.226 8.630 1.00 1.30 C ATOM 1245 CD2 TYR A 80 -5.136 4.600 6.348 1.00 15.03 C ATOM 1246 CE1 TYR A 80 -5.797 4.605 9.025 1.00 52.13 C ATOM 1247 CE2 TYR A 80 -6.398 4.979 6.745 1.00 23.50 C ATOM 1248 CZ TYR A 80 -6.723 4.980 8.076 1.00 55.20 C ATOM 1249 OH TYR A 80 -7.987 5.359 8.455 1.00 33.44 O ATOM 0 H TYR A 80 -1.990 6.152 8.588 1.00 5.22 H new ATOM 0 HA TYR A 80 -0.747 4.523 6.501 1.00 22.13 H new ATOM 0 HB2 TYR A 80 -2.798 3.431 5.816 1.00 51.12 H new ATOM 0 HB3 TYR A 80 -2.417 2.973 7.464 1.00 51.12 H new ATOM 0 HD1 TYR A 80 -3.806 3.934 9.377 1.00 1.30 H new ATOM 0 HD2 TYR A 80 -4.889 4.600 5.297 1.00 15.03 H new ATOM 0 HE1 TYR A 80 -6.061 4.607 10.072 1.00 52.13 H new ATOM 0 HE2 TYR A 80 -7.131 5.275 6.009 1.00 23.50 H new ATOM 0 HH TYR A 80 -8.511 5.593 7.660 1.00 33.44 H new ATOM 1259 N ASP A 81 -1.632 6.115 4.785 1.00 34.12 N ATOM 1260 CA ASP A 81 -1.945 7.116 3.769 1.00 14.24 C ATOM 1261 C ASP A 81 -2.690 6.407 2.632 1.00 52.43 C ATOM 1262 O ASP A 81 -2.153 5.459 2.057 1.00 3.54 O ATOM 1263 CB ASP A 81 -0.622 7.738 3.238 1.00 12.50 C ATOM 1264 CG ASP A 81 -0.839 9.041 2.444 1.00 21.45 C ATOM 1265 OD1 ASP A 81 -1.549 9.019 1.413 1.00 34.00 O ATOM 1266 OD2 ASP A 81 -0.315 10.099 2.860 1.00 3.11 O ATOM 0 H ASP A 81 -1.024 5.373 4.437 1.00 34.12 H new ATOM 0 HA ASP A 81 -2.562 7.914 4.182 1.00 14.24 H new ATOM 0 HB2 ASP A 81 0.041 7.939 4.080 1.00 12.50 H new ATOM 0 HB3 ASP A 81 -0.117 7.012 2.601 1.00 12.50 H new ATOM 1271 N VAL A 82 -3.912 6.859 2.314 1.00 65.23 N ATOM 1272 CA VAL A 82 -4.719 6.271 1.236 1.00 71.14 C ATOM 1273 C VAL A 82 -4.453 7.028 -0.084 1.00 34.32 C ATOM 1274 O VAL A 82 -4.812 8.205 -0.230 1.00 73.21 O ATOM 1275 CB VAL A 82 -6.261 6.273 1.580 1.00 54.02 C ATOM 1276 CG1 VAL A 82 -7.083 5.587 0.459 1.00 51.35 C ATOM 1277 CG2 VAL A 82 -6.529 5.616 2.965 1.00 33.41 C ATOM 0 H VAL A 82 -4.366 7.637 2.793 1.00 65.23 H new ATOM 0 HA VAL A 82 -4.421 5.229 1.123 1.00 71.14 H new ATOM 0 HB VAL A 82 -6.589 7.311 1.641 1.00 54.02 H new ATOM 0 HG11 VAL A 82 -8.141 5.603 0.722 1.00 51.35 H new ATOM 0 HG12 VAL A 82 -6.935 6.121 -0.480 1.00 51.35 H new ATOM 0 HG13 VAL A 82 -6.753 4.555 0.345 1.00 51.35 H new ATOM 0 HG21 VAL A 82 -7.599 5.632 3.174 1.00 33.41 H new ATOM 0 HG22 VAL A 82 -6.177 4.584 2.953 1.00 33.41 H new ATOM 0 HG23 VAL A 82 -5.999 6.171 3.739 1.00 33.41 H new ATOM 1287 N LEU A 83 -3.796 6.335 -1.020 1.00 5.41 N ATOM 1288 CA LEU A 83 -3.493 6.838 -2.368 1.00 50.44 C ATOM 1289 C LEU A 83 -4.455 6.178 -3.370 1.00 64.44 C ATOM 1290 O LEU A 83 -4.436 4.966 -3.528 1.00 12.33 O ATOM 1291 CB LEU A 83 -2.005 6.518 -2.720 1.00 44.33 C ATOM 1292 CG LEU A 83 -1.517 6.909 -4.157 1.00 71.22 C ATOM 1293 CD1 LEU A 83 -1.699 8.419 -4.460 1.00 51.15 C ATOM 1294 CD2 LEU A 83 -0.048 6.453 -4.386 1.00 40.31 C ATOM 0 H LEU A 83 -3.452 5.388 -0.860 1.00 5.41 H new ATOM 0 HA LEU A 83 -3.627 7.919 -2.412 1.00 50.44 H new ATOM 0 HB2 LEU A 83 -1.368 7.026 -1.996 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -1.848 5.448 -2.588 1.00 44.33 H new ATOM 0 HG LEU A 83 -2.153 6.378 -4.865 1.00 71.22 H new ATOM 0 HD11 LEU A 83 -1.345 8.633 -5.468 1.00 51.15 H new ATOM 0 HD12 LEU A 83 -2.754 8.681 -4.383 1.00 51.15 H new ATOM 0 HD13 LEU A 83 -1.126 9.006 -3.742 1.00 51.15 H new ATOM 0 HD21 LEU A 83 0.268 6.735 -5.390 1.00 40.31 H new ATOM 0 HD22 LEU A 83 0.600 6.933 -3.653 1.00 40.31 H new ATOM 0 HD23 LEU A 83 0.018 5.371 -4.276 1.00 40.31 H new ATOM 1306 N LYS A 84 -5.320 6.981 -4.010 1.00 41.04 N ATOM 1307 CA LYS A 84 -6.236 6.510 -5.064 1.00 72.21 C ATOM 1308 C LYS A 84 -5.925 7.273 -6.367 1.00 11.52 C ATOM 1309 O LYS A 84 -6.398 8.400 -6.577 1.00 71.12 O ATOM 1310 CB LYS A 84 -7.729 6.687 -4.631 1.00 61.51 C ATOM 1311 CG LYS A 84 -8.136 5.870 -3.376 1.00 42.51 C ATOM 1312 CD LYS A 84 -9.654 5.929 -3.079 1.00 3.23 C ATOM 1313 CE LYS A 84 -10.049 5.056 -1.875 1.00 24.22 C ATOM 1314 NZ LYS A 84 -11.522 5.020 -1.658 1.00 24.02 N ATOM 0 H LYS A 84 -5.405 7.978 -3.811 1.00 41.04 H new ATOM 0 HA LYS A 84 -6.085 5.444 -5.233 1.00 72.21 H new ATOM 0 HB2 LYS A 84 -7.915 7.743 -4.437 1.00 61.51 H new ATOM 0 HB3 LYS A 84 -8.372 6.397 -5.462 1.00 61.51 H new ATOM 0 HG2 LYS A 84 -7.839 4.830 -3.515 1.00 42.51 H new ATOM 0 HG3 LYS A 84 -7.588 6.246 -2.512 1.00 42.51 H new ATOM 0 HD2 LYS A 84 -9.944 6.962 -2.887 1.00 3.23 H new ATOM 0 HD3 LYS A 84 -10.207 5.601 -3.959 1.00 3.23 H new ATOM 0 HE2 LYS A 84 -9.683 4.041 -2.030 1.00 24.22 H new ATOM 0 HE3 LYS A 84 -9.562 5.437 -0.978 1.00 24.22 H new ATOM 0 HZ1 LYS A 84 -11.769 5.626 -0.850 1.00 24.02 H new ATOM 0 HZ2 LYS A 84 -12.007 5.365 -2.511 1.00 24.02 H new ATOM 0 HZ3 LYS A 84 -11.820 4.043 -1.462 1.00 24.02 H new ATOM 1328 N SER A 85 -5.105 6.639 -7.220 1.00 13.50 N ATOM 1329 CA SER A 85 -4.616 7.222 -8.484 1.00 32.35 C ATOM 1330 C SER A 85 -4.282 6.105 -9.491 1.00 61.33 C ATOM 1331 O SER A 85 -3.868 5.015 -9.101 1.00 74.41 O ATOM 1332 CB SER A 85 -3.366 8.121 -8.239 1.00 13.21 C ATOM 1333 OG SER A 85 -3.662 9.211 -7.375 1.00 64.30 O ATOM 0 H SER A 85 -4.757 5.695 -7.051 1.00 13.50 H new ATOM 0 HA SER A 85 -5.407 7.847 -8.898 1.00 32.35 H new ATOM 0 HB2 SER A 85 -2.566 7.521 -7.806 1.00 13.21 H new ATOM 0 HB3 SER A 85 -2.999 8.502 -9.192 1.00 13.21 H new ATOM 0 HG SER A 85 -2.856 9.752 -7.243 1.00 64.30 H new ATOM 1339 N THR A 86 -4.489 6.387 -10.783 1.00 2.44 N ATOM 1340 CA THR A 86 -4.168 5.471 -11.889 1.00 61.32 C ATOM 1341 C THR A 86 -3.223 6.177 -12.882 1.00 32.22 C ATOM 1342 O THR A 86 -3.680 6.887 -13.791 1.00 23.53 O ATOM 1343 CB THR A 86 -5.481 5.005 -12.620 1.00 55.25 C ATOM 1344 OG1 THR A 86 -6.225 6.149 -13.083 1.00 45.34 O ATOM 1345 CG2 THR A 86 -6.391 4.170 -11.710 1.00 71.42 C ATOM 0 H THR A 86 -4.890 7.271 -11.096 1.00 2.44 H new ATOM 0 HA THR A 86 -3.672 4.587 -11.487 1.00 61.32 H new ATOM 0 HB THR A 86 -5.168 4.383 -13.459 1.00 55.25 H new ATOM 0 HG1 THR A 86 -5.610 6.798 -13.484 1.00 45.34 H new ATOM 0 HG21 THR A 86 -7.283 3.873 -12.261 1.00 71.42 H new ATOM 0 HG22 THR A 86 -5.856 3.280 -11.379 1.00 71.42 H new ATOM 0 HG23 THR A 86 -6.681 4.763 -10.843 1.00 71.42 H new ATOM 1353 N ASP A 87 -1.903 6.004 -12.685 1.00 72.43 N ATOM 1354 CA ASP A 87 -0.866 6.614 -13.553 1.00 70.42 C ATOM 1355 C ASP A 87 0.527 6.035 -13.197 1.00 14.11 C ATOM 1356 O ASP A 87 0.897 6.032 -12.018 1.00 13.15 O ATOM 1357 CB ASP A 87 -0.854 8.161 -13.434 1.00 3.33 C ATOM 1358 CG ASP A 87 0.146 8.819 -14.400 1.00 70.32 C ATOM 1359 OD1 ASP A 87 -0.159 8.926 -15.610 1.00 23.02 O ATOM 1360 OD2 ASP A 87 1.259 9.180 -13.975 1.00 71.44 O ATOM 0 H ASP A 87 -1.522 5.441 -11.925 1.00 72.43 H new ATOM 0 HA ASP A 87 -1.107 6.368 -14.587 1.00 70.42 H new ATOM 0 HB2 ASP A 87 -1.854 8.545 -13.634 1.00 3.33 H new ATOM 0 HB3 ASP A 87 -0.604 8.441 -12.411 1.00 3.33 H new ATOM 1365 N PRO A 88 1.319 5.538 -14.218 1.00 62.35 N ATOM 1366 CA PRO A 88 2.635 4.879 -13.996 1.00 32.24 C ATOM 1367 C PRO A 88 3.633 5.724 -13.179 1.00 21.33 C ATOM 1368 O PRO A 88 4.265 5.220 -12.239 1.00 41.42 O ATOM 1369 CB PRO A 88 3.192 4.644 -15.422 1.00 62.34 C ATOM 1370 CG PRO A 88 2.010 4.687 -16.331 1.00 64.41 C ATOM 1371 CD PRO A 88 0.968 5.562 -15.666 1.00 34.33 C ATOM 0 HA PRO A 88 2.502 3.969 -13.411 1.00 32.24 H new ATOM 0 HB2 PRO A 88 3.919 5.411 -15.689 1.00 62.34 H new ATOM 0 HB3 PRO A 88 3.703 3.683 -15.489 1.00 62.34 H new ATOM 0 HG2 PRO A 88 2.287 5.091 -17.305 1.00 64.41 H new ATOM 0 HG3 PRO A 88 1.619 3.684 -16.502 1.00 64.41 H new ATOM 0 HD2 PRO A 88 0.993 6.577 -16.062 1.00 34.33 H new ATOM 0 HD3 PRO A 88 -0.038 5.178 -15.836 1.00 34.33 H new ATOM 1379 N GLU A 89 3.752 7.019 -13.528 1.00 32.51 N ATOM 1380 CA GLU A 89 4.775 7.892 -12.902 1.00 24.43 C ATOM 1381 C GLU A 89 4.249 8.487 -11.586 1.00 3.25 C ATOM 1382 O GLU A 89 5.043 8.748 -10.685 1.00 51.33 O ATOM 1383 CB GLU A 89 5.287 9.017 -13.850 1.00 23.24 C ATOM 1384 CG GLU A 89 4.356 10.230 -14.041 1.00 63.53 C ATOM 1385 CD GLU A 89 4.991 11.342 -14.886 1.00 1.44 C ATOM 1386 OE1 GLU A 89 5.770 12.150 -14.334 1.00 23.50 O ATOM 1387 OE2 GLU A 89 4.725 11.413 -16.108 1.00 52.22 O ATOM 0 H GLU A 89 3.168 7.481 -14.225 1.00 32.51 H new ATOM 0 HA GLU A 89 5.634 7.256 -12.689 1.00 24.43 H new ATOM 0 HB2 GLU A 89 6.242 9.377 -13.468 1.00 23.24 H new ATOM 0 HB3 GLU A 89 5.480 8.577 -14.829 1.00 23.24 H new ATOM 0 HG2 GLU A 89 3.432 9.901 -14.517 1.00 63.53 H new ATOM 0 HG3 GLU A 89 4.086 10.632 -13.064 1.00 63.53 H new ATOM 1394 N GLU A 90 2.917 8.674 -11.476 1.00 71.35 N ATOM 1395 CA GLU A 90 2.292 9.261 -10.272 1.00 65.43 C ATOM 1396 C GLU A 90 2.443 8.309 -9.078 1.00 35.42 C ATOM 1397 O GLU A 90 2.910 8.694 -8.002 1.00 53.43 O ATOM 1398 CB GLU A 90 0.790 9.543 -10.524 1.00 65.41 C ATOM 1399 CG GLU A 90 0.024 10.189 -9.347 1.00 13.34 C ATOM 1400 CD GLU A 90 0.430 11.647 -9.064 1.00 61.32 C ATOM 1401 OE1 GLU A 90 1.443 11.880 -8.368 1.00 32.22 O ATOM 1402 OE2 GLU A 90 -0.269 12.575 -9.532 1.00 24.42 O ATOM 0 H GLU A 90 2.252 8.426 -12.209 1.00 71.35 H new ATOM 0 HA GLU A 90 2.797 10.201 -10.048 1.00 65.43 H new ATOM 0 HB2 GLU A 90 0.702 10.196 -11.393 1.00 65.41 H new ATOM 0 HB3 GLU A 90 0.301 8.603 -10.780 1.00 65.41 H new ATOM 0 HG2 GLU A 90 -1.045 10.154 -9.559 1.00 13.34 H new ATOM 0 HG3 GLU A 90 0.190 9.595 -8.448 1.00 13.34 H new ATOM 1409 N LEU A 91 2.067 7.048 -9.305 1.00 53.30 N ATOM 1410 CA LEU A 91 2.105 6.020 -8.264 1.00 70.01 C ATOM 1411 C LEU A 91 3.557 5.779 -7.805 1.00 13.33 C ATOM 1412 O LEU A 91 3.822 5.783 -6.609 1.00 53.42 O ATOM 1413 CB LEU A 91 1.433 4.715 -8.756 1.00 73.12 C ATOM 1414 CG LEU A 91 -0.099 4.791 -9.050 1.00 43.20 C ATOM 1415 CD1 LEU A 91 -0.630 3.426 -9.552 1.00 21.43 C ATOM 1416 CD2 LEU A 91 -0.883 5.285 -7.811 1.00 35.23 C ATOM 0 H LEU A 91 1.730 6.713 -10.208 1.00 53.30 H new ATOM 0 HA LEU A 91 1.537 6.370 -7.402 1.00 70.01 H new ATOM 0 HB2 LEU A 91 1.940 4.392 -9.665 1.00 73.12 H new ATOM 0 HB3 LEU A 91 1.599 3.941 -8.006 1.00 73.12 H new ATOM 0 HG LEU A 91 -0.256 5.521 -9.844 1.00 43.20 H new ATOM 0 HD11 LEU A 91 -1.699 3.502 -9.750 1.00 21.43 H new ATOM 0 HD12 LEU A 91 -0.110 3.148 -10.469 1.00 21.43 H new ATOM 0 HD13 LEU A 91 -0.456 2.666 -8.791 1.00 21.43 H new ATOM 0 HD21 LEU A 91 -1.946 5.327 -8.046 1.00 35.23 H new ATOM 0 HD22 LEU A 91 -0.722 4.597 -6.981 1.00 35.23 H new ATOM 0 HD23 LEU A 91 -0.533 6.279 -7.532 1.00 35.23 H new ATOM 1428 N THR A 92 4.497 5.665 -8.768 1.00 52.21 N ATOM 1429 CA THR A 92 5.919 5.393 -8.472 1.00 62.12 C ATOM 1430 C THR A 92 6.566 6.544 -7.677 1.00 64.35 C ATOM 1431 O THR A 92 7.295 6.292 -6.711 1.00 13.25 O ATOM 1432 CB THR A 92 6.741 5.122 -9.780 1.00 2.45 C ATOM 1433 OG1 THR A 92 6.185 3.999 -10.480 1.00 50.15 O ATOM 1434 CG2 THR A 92 8.232 4.843 -9.506 1.00 41.21 C ATOM 0 H THR A 92 4.294 5.758 -9.763 1.00 52.21 H new ATOM 0 HA THR A 92 5.941 4.493 -7.857 1.00 62.12 H new ATOM 0 HB THR A 92 6.677 6.029 -10.381 1.00 2.45 H new ATOM 0 HG1 THR A 92 6.595 3.172 -10.150 1.00 50.15 H new ATOM 0 HG21 THR A 92 8.748 4.663 -10.449 1.00 41.21 H new ATOM 0 HG22 THR A 92 8.678 5.704 -9.007 1.00 41.21 H new ATOM 0 HG23 THR A 92 8.326 3.965 -8.868 1.00 41.21 H new ATOM 1442 N GLN A 93 6.273 7.805 -8.075 1.00 4.42 N ATOM 1443 CA GLN A 93 6.871 8.991 -7.432 1.00 2.12 C ATOM 1444 C GLN A 93 6.393 9.109 -5.977 1.00 35.03 C ATOM 1445 O GLN A 93 7.185 9.455 -5.104 1.00 71.11 O ATOM 1446 CB GLN A 93 6.582 10.306 -8.215 1.00 43.23 C ATOM 1447 CG GLN A 93 5.137 10.829 -8.153 1.00 31.42 C ATOM 1448 CD GLN A 93 4.899 12.085 -8.989 1.00 65.34 C ATOM 1449 OE1 GLN A 93 4.576 11.999 -10.175 1.00 62.45 O ATOM 1450 NE2 GLN A 93 5.073 13.256 -8.387 1.00 62.25 N ATOM 0 H GLN A 93 5.629 8.023 -8.835 1.00 4.42 H new ATOM 0 HA GLN A 93 7.952 8.850 -7.443 1.00 2.12 H new ATOM 0 HB2 GLN A 93 7.245 11.084 -7.835 1.00 43.23 H new ATOM 0 HB3 GLN A 93 6.844 10.147 -9.261 1.00 43.23 H new ATOM 0 HG2 GLN A 93 4.462 10.044 -8.493 1.00 31.42 H new ATOM 0 HG3 GLN A 93 4.882 11.041 -7.115 1.00 31.42 H new ATOM 0 HE21 GLN A 93 5.341 13.289 -7.403 1.00 62.25 H new ATOM 0 HE22 GLN A 93 4.939 14.122 -8.908 1.00 62.25 H new ATOM 1459 N ARG A 94 5.103 8.773 -5.728 1.00 52.11 N ATOM 1460 CA ARG A 94 4.506 8.839 -4.375 1.00 73.43 C ATOM 1461 C ARG A 94 5.032 7.703 -3.482 1.00 61.42 C ATOM 1462 O ARG A 94 5.282 7.924 -2.305 1.00 41.42 O ATOM 1463 CB ARG A 94 2.950 8.839 -4.423 1.00 13.01 C ATOM 1464 CG ARG A 94 2.342 10.010 -5.224 1.00 22.41 C ATOM 1465 CD ARG A 94 2.790 11.401 -4.725 1.00 60.52 C ATOM 1466 NE ARG A 94 2.446 12.446 -5.695 1.00 2.11 N ATOM 1467 CZ ARG A 94 3.010 13.655 -5.778 1.00 31.01 C ATOM 1468 NH1 ARG A 94 3.958 14.039 -4.936 1.00 43.43 N ATOM 1469 NH2 ARG A 94 2.657 14.454 -6.760 1.00 15.43 N ATOM 0 H ARG A 94 4.457 8.453 -6.450 1.00 52.11 H new ATOM 0 HA ARG A 94 4.814 9.787 -3.934 1.00 73.43 H new ATOM 0 HB2 ARG A 94 2.611 7.900 -4.860 1.00 13.01 H new ATOM 0 HB3 ARG A 94 2.566 8.873 -3.403 1.00 13.01 H new ATOM 0 HG2 ARG A 94 2.618 9.904 -6.273 1.00 22.41 H new ATOM 0 HG3 ARG A 94 1.255 9.948 -5.173 1.00 22.41 H new ATOM 0 HD2 ARG A 94 2.315 11.618 -3.768 1.00 60.52 H new ATOM 0 HD3 ARG A 94 3.866 11.400 -4.553 1.00 60.52 H new ATOM 0 HE ARG A 94 1.710 12.231 -6.367 1.00 2.11 H new ATOM 0 HH11 ARG A 94 4.275 13.406 -4.201 1.00 43.43 H new ATOM 0 HH12 ARG A 94 4.371 14.968 -5.022 1.00 43.43 H new ATOM 0 HH21 ARG A 94 1.963 14.148 -7.442 1.00 15.43 H new ATOM 0 HH22 ARG A 94 3.077 15.380 -6.840 1.00 15.43 H new ATOM 1483 N VAL A 95 5.213 6.501 -4.068 1.00 22.24 N ATOM 1484 CA VAL A 95 5.804 5.327 -3.378 1.00 34.52 C ATOM 1485 C VAL A 95 7.213 5.666 -2.839 1.00 10.42 C ATOM 1486 O VAL A 95 7.496 5.498 -1.642 1.00 11.23 O ATOM 1487 CB VAL A 95 5.857 4.068 -4.349 1.00 44.52 C ATOM 1488 CG1 VAL A 95 6.779 2.931 -3.829 1.00 35.11 C ATOM 1489 CG2 VAL A 95 4.431 3.522 -4.618 1.00 3.02 C ATOM 0 H VAL A 95 4.954 6.313 -5.036 1.00 22.24 H new ATOM 0 HA VAL A 95 5.167 5.072 -2.531 1.00 34.52 H new ATOM 0 HB VAL A 95 6.292 4.422 -5.283 1.00 44.52 H new ATOM 0 HG11 VAL A 95 6.770 2.103 -4.538 1.00 35.11 H new ATOM 0 HG12 VAL A 95 7.796 3.307 -3.723 1.00 35.11 H new ATOM 0 HG13 VAL A 95 6.418 2.584 -2.861 1.00 35.11 H new ATOM 0 HG21 VAL A 95 4.491 2.661 -5.284 1.00 3.02 H new ATOM 0 HG22 VAL A 95 3.973 3.221 -3.676 1.00 3.02 H new ATOM 0 HG23 VAL A 95 3.825 4.300 -5.083 1.00 3.02 H new ATOM 1499 N ARG A 96 8.063 6.198 -3.730 1.00 54.25 N ATOM 1500 CA ARG A 96 9.486 6.425 -3.437 1.00 54.10 C ATOM 1501 C ARG A 96 9.707 7.605 -2.462 1.00 14.23 C ATOM 1502 O ARG A 96 10.548 7.502 -1.555 1.00 22.45 O ATOM 1503 CB ARG A 96 10.290 6.603 -4.749 1.00 13.22 C ATOM 1504 CG ARG A 96 9.914 7.793 -5.643 1.00 63.11 C ATOM 1505 CD ARG A 96 10.741 7.827 -6.946 1.00 72.10 C ATOM 1506 NE ARG A 96 12.182 7.998 -6.674 1.00 54.42 N ATOM 1507 CZ ARG A 96 13.168 7.173 -7.076 1.00 64.24 C ATOM 1508 NH1 ARG A 96 12.907 6.075 -7.786 1.00 2.11 N ATOM 1509 NH2 ARG A 96 14.415 7.443 -6.724 1.00 34.21 N ATOM 0 H ARG A 96 7.785 6.482 -4.670 1.00 54.25 H new ATOM 0 HA ARG A 96 9.861 5.538 -2.927 1.00 54.10 H new ATOM 0 HB2 ARG A 96 11.345 6.695 -4.490 1.00 13.22 H new ATOM 0 HB3 ARG A 96 10.184 5.691 -5.337 1.00 13.22 H new ATOM 0 HG2 ARG A 96 8.853 7.740 -5.889 1.00 63.11 H new ATOM 0 HG3 ARG A 96 10.067 8.721 -5.093 1.00 63.11 H new ATOM 0 HD2 ARG A 96 10.583 6.903 -7.502 1.00 72.10 H new ATOM 0 HD3 ARG A 96 10.391 8.643 -7.578 1.00 72.10 H new ATOM 0 HE ARG A 96 12.456 8.817 -6.131 1.00 54.42 H new ATOM 0 HH11 ARG A 96 11.945 5.846 -8.035 1.00 2.11 H new ATOM 0 HH12 ARG A 96 13.669 5.464 -8.080 1.00 2.11 H new ATOM 0 HH21 ARG A 96 14.618 8.266 -6.156 1.00 34.21 H new ATOM 0 HH22 ARG A 96 15.173 6.828 -7.020 1.00 34.21 H new ATOM 1523 N GLU A 97 8.937 8.711 -2.635 1.00 3.34 N ATOM 1524 CA GLU A 97 9.049 9.899 -1.747 1.00 32.10 C ATOM 1525 C GLU A 97 8.438 9.603 -0.365 1.00 33.01 C ATOM 1526 O GLU A 97 8.867 10.187 0.635 1.00 5.54 O ATOM 1527 CB GLU A 97 8.402 11.168 -2.378 1.00 65.22 C ATOM 1528 CG GLU A 97 6.871 11.112 -2.548 1.00 2.05 C ATOM 1529 CD GLU A 97 6.267 12.326 -3.284 1.00 51.02 C ATOM 1530 OE1 GLU A 97 6.498 12.482 -4.507 1.00 43.00 O ATOM 1531 OE2 GLU A 97 5.528 13.111 -2.651 1.00 51.12 O ATOM 0 H GLU A 97 8.239 8.805 -3.373 1.00 3.34 H new ATOM 0 HA GLU A 97 10.111 10.110 -1.622 1.00 32.10 H new ATOM 0 HB2 GLU A 97 8.651 12.029 -1.758 1.00 65.22 H new ATOM 0 HB3 GLU A 97 8.854 11.338 -3.355 1.00 65.22 H new ATOM 0 HG2 GLU A 97 6.611 10.205 -3.094 1.00 2.05 H new ATOM 0 HG3 GLU A 97 6.411 11.034 -1.563 1.00 2.05 H new ATOM 1538 N PHE A 98 7.455 8.677 -0.323 1.00 54.50 N ATOM 1539 CA PHE A 98 6.819 8.230 0.934 1.00 1.43 C ATOM 1540 C PHE A 98 7.846 7.494 1.801 1.00 22.40 C ATOM 1541 O PHE A 98 8.030 7.821 2.968 1.00 34.14 O ATOM 1542 CB PHE A 98 5.617 7.298 0.628 1.00 33.44 C ATOM 1543 CG PHE A 98 4.851 6.810 1.855 1.00 64.42 C ATOM 1544 CD1 PHE A 98 3.796 7.554 2.382 1.00 52.11 C ATOM 1545 CD2 PHE A 98 5.176 5.597 2.473 1.00 4.32 C ATOM 1546 CE1 PHE A 98 3.104 7.113 3.492 1.00 62.54 C ATOM 1547 CE2 PHE A 98 4.485 5.163 3.581 1.00 33.32 C ATOM 1548 CZ PHE A 98 3.443 5.915 4.081 1.00 70.43 C ATOM 0 H PHE A 98 7.082 8.221 -1.156 1.00 54.50 H new ATOM 0 HA PHE A 98 6.454 9.103 1.474 1.00 1.43 H new ATOM 0 HB2 PHE A 98 4.925 7.826 -0.028 1.00 33.44 H new ATOM 0 HB3 PHE A 98 5.980 6.431 0.076 1.00 33.44 H new ATOM 0 HD1 PHE A 98 3.517 8.487 1.916 1.00 52.11 H new ATOM 0 HD2 PHE A 98 5.979 4.994 2.075 1.00 4.32 H new ATOM 0 HE1 PHE A 98 2.298 7.706 3.898 1.00 62.54 H new ATOM 0 HE2 PHE A 98 4.759 4.234 4.059 1.00 33.32 H new ATOM 0 HZ PHE A 98 2.890 5.563 4.939 1.00 70.43 H new ATOM 1558 N LEU A 99 8.524 6.510 1.191 1.00 12.55 N ATOM 1559 CA LEU A 99 9.559 5.702 1.870 1.00 21.23 C ATOM 1560 C LEU A 99 10.760 6.580 2.284 1.00 45.53 C ATOM 1561 O LEU A 99 11.458 6.271 3.255 1.00 11.14 O ATOM 1562 CB LEU A 99 10.014 4.540 0.946 1.00 21.05 C ATOM 1563 CG LEU A 99 8.909 3.507 0.553 1.00 52.40 C ATOM 1564 CD1 LEU A 99 9.446 2.454 -0.454 1.00 25.03 C ATOM 1565 CD2 LEU A 99 8.292 2.844 1.813 1.00 23.14 C ATOM 0 H LEU A 99 8.374 6.249 0.216 1.00 12.55 H new ATOM 0 HA LEU A 99 9.131 5.278 2.778 1.00 21.23 H new ATOM 0 HB2 LEU A 99 10.425 4.968 0.032 1.00 21.05 H new ATOM 0 HB3 LEU A 99 10.825 4.005 1.440 1.00 21.05 H new ATOM 0 HG LEU A 99 8.110 4.049 0.047 1.00 52.40 H new ATOM 0 HD11 LEU A 99 8.651 1.752 -0.705 1.00 25.03 H new ATOM 0 HD12 LEU A 99 9.785 2.957 -1.360 1.00 25.03 H new ATOM 0 HD13 LEU A 99 10.279 1.913 -0.005 1.00 25.03 H new ATOM 0 HD21 LEU A 99 7.526 2.130 1.510 1.00 23.14 H new ATOM 0 HD22 LEU A 99 9.072 2.325 2.370 1.00 23.14 H new ATOM 0 HD23 LEU A 99 7.844 3.611 2.445 1.00 23.14 H new ATOM 1577 N LYS A 100 10.940 7.696 1.555 1.00 55.12 N ATOM 1578 CA LYS A 100 12.041 8.644 1.763 1.00 13.23 C ATOM 1579 C LYS A 100 11.784 9.537 3.001 1.00 72.31 C ATOM 1580 O LYS A 100 12.684 9.732 3.827 1.00 34.11 O ATOM 1581 CB LYS A 100 12.232 9.506 0.476 1.00 25.01 C ATOM 1582 CG LYS A 100 13.404 10.516 0.503 1.00 51.41 C ATOM 1583 CD LYS A 100 14.785 9.859 0.739 1.00 3.11 C ATOM 1584 CE LYS A 100 15.173 8.822 -0.332 1.00 5.54 C ATOM 1585 NZ LYS A 100 16.506 8.217 -0.047 1.00 61.55 N ATOM 0 H LYS A 100 10.315 7.965 0.796 1.00 55.12 H new ATOM 0 HA LYS A 100 12.957 8.086 1.955 1.00 13.23 H new ATOM 0 HB2 LYS A 100 12.378 8.833 -0.369 1.00 25.01 H new ATOM 0 HB3 LYS A 100 11.309 10.056 0.291 1.00 25.01 H new ATOM 0 HG2 LYS A 100 13.426 11.059 -0.442 1.00 51.41 H new ATOM 0 HG3 LYS A 100 13.222 11.250 1.288 1.00 51.41 H new ATOM 0 HD2 LYS A 100 15.547 10.638 0.769 1.00 3.11 H new ATOM 0 HD3 LYS A 100 14.784 9.375 1.716 1.00 3.11 H new ATOM 0 HE2 LYS A 100 14.417 8.038 -0.372 1.00 5.54 H new ATOM 0 HE3 LYS A 100 15.190 9.298 -1.312 1.00 5.54 H new ATOM 0 HZ1 LYS A 100 16.738 7.523 -0.786 1.00 61.55 H new ATOM 0 HZ2 LYS A 100 17.230 8.963 -0.033 1.00 61.55 H new ATOM 0 HZ3 LYS A 100 16.481 7.742 0.878 1.00 61.55 H new ATOM 1599 N THR A 101 10.542 10.039 3.145 1.00 73.24 N ATOM 1600 CA THR A 101 10.192 11.040 4.177 1.00 41.11 C ATOM 1601 C THR A 101 9.681 10.365 5.471 1.00 70.13 C ATOM 1602 O THR A 101 10.038 10.780 6.578 1.00 73.42 O ATOM 1603 CB THR A 101 9.108 12.027 3.626 1.00 51.21 C ATOM 1604 OG1 THR A 101 8.011 11.274 3.087 1.00 13.41 O ATOM 1605 CG2 THR A 101 9.666 12.957 2.531 1.00 33.15 C ATOM 0 H THR A 101 9.756 9.766 2.555 1.00 73.24 H new ATOM 0 HA THR A 101 11.097 11.596 4.422 1.00 41.11 H new ATOM 0 HB THR A 101 8.780 12.651 4.457 1.00 51.21 H new ATOM 0 HG1 THR A 101 8.246 10.948 2.193 1.00 13.41 H new ATOM 0 HG21 THR A 101 8.876 13.622 2.181 1.00 33.15 H new ATOM 0 HG22 THR A 101 10.485 13.549 2.939 1.00 33.15 H new ATOM 0 HG23 THR A 101 10.032 12.358 1.697 1.00 33.15 H new ATOM 1613 N ALA A 102 8.845 9.323 5.317 1.00 43.40 N ATOM 1614 CA ALA A 102 8.265 8.563 6.450 1.00 12.21 C ATOM 1615 C ALA A 102 9.315 7.672 7.137 1.00 42.21 C ATOM 1616 O ALA A 102 9.103 7.217 8.267 1.00 14.31 O ATOM 1617 CB ALA A 102 7.073 7.722 5.977 1.00 72.23 C ATOM 0 H ALA A 102 8.549 8.980 4.403 1.00 43.40 H new ATOM 0 HA ALA A 102 7.916 9.286 7.187 1.00 12.21 H new ATOM 0 HB1 ALA A 102 6.659 7.170 6.821 1.00 72.23 H new ATOM 0 HB2 ALA A 102 6.308 8.377 5.561 1.00 72.23 H new ATOM 0 HB3 ALA A 102 7.404 7.020 5.212 1.00 72.23 H new