USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1052 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 108 ASN : amide:sc= 0.418 K(o=0.68,f=-1.8) USER MOD Set 1.2: A 113 THR OG1 : rot 81:sc= 0.261 USER MOD Set 2.1: A 88 CYS SG : rot -120:sc= 0.993 USER MOD Set 2.2: A 137 TYR OH : rot -55:sc= 0.749 USER MOD Set 3.1: A 61 GLN : amide:sc= 0.654 K(o=2,f=-1.9!) USER MOD Set 3.2: A 104 ASN : amide:sc= 1.38 K(o=2,f=-0.82) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -151:sc= 1.2 (180deg=-0.116) USER MOD Set 4.2: A 50 TYR OH : rot -36:sc= 0.0203 USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= -0.0346 USER MOD Set 5.2: A 45 THR OG1 : rot -123:sc= 1.24 USER MOD Set 6.1: A 5 GLN : amide:sc= -1.51 K(o=-1.6,f=-6.1!) USER MOD Set 6.2: A 35 THR OG1 : rot -130:sc= -0.0655 USER MOD Set 7.1: A 16 THR OG1 : rot 132:sc= 1.43 USER MOD Set 7.2: A 20 CYS SG : rot -147:sc= 1.87 USER MOD Set 7.3: A 69 TYR OH : rot -124:sc= -0.257 USER MOD Single : A 10 MET CE :methyl -173:sc=-0.00227 (180deg=-0.0916) USER MOD Single : A 11 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.9!) USER MOD Single : A 13 SER OG : rot 69:sc= 0.826 USER MOD Single : A 15 MET CE :methyl -167:sc= 0 (180deg=-0.0567) USER MOD Single : A 17 CYS SG : rot 180:sc= -2.2! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -0.0716 (180deg=-0.535) USER MOD Single : A 31 MET CE :methyl -141:sc= 0 (180deg=-0.184) USER MOD Single : A 38 ASN : amide:sc= 1.09 K(o=1.1,f=-0.2) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -134:sc= 1.29 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00302) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.01) USER MOD Single : A 70 HIS : no HE2:sc= 0.952 K(o=0.95,f=-4.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.07) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.0103 (180deg=-0.623) USER MOD Single : A 90 ASN : amide:sc= -0.0395 K(o=-0.04,f=-0.62) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.874 (180deg=0.392) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00447) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.202 K(o=0.2,f=-3.7!) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0.312 (180deg=0.26) USER MOD Single : A 124 SER OG : rot 180:sc= -0.014 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0369) USER MOD Single : A 138 LYS NZ :NH3+ -170:sc= 1.12 (180deg=1.01) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.378 -15.328 4.439 1.00 0.86 N ATOM 66 CA GLN A 5 0.466 -14.411 3.775 1.00 0.73 C ATOM 67 C GLN A 5 0.551 -13.008 4.367 1.00 0.86 C ATOM 68 O GLN A 5 0.848 -12.839 5.549 1.00 1.19 O ATOM 69 CB GLN A 5 -0.980 -14.939 3.846 1.00 0.77 C ATOM 70 CG GLN A 5 -1.154 -16.325 3.206 1.00 0.83 C ATOM 71 CD GLN A 5 -0.484 -16.353 1.839 1.00 0.95 C ATOM 72 OE1 GLN A 5 -0.704 -15.456 1.039 1.00 2.26 O ATOM 73 NE2 GLN A 5 0.416 -17.303 1.619 1.00 1.11 N ATOM 0 HA GLN A 5 0.766 -14.348 2.729 1.00 0.73 H new ATOM 0 HB2 GLN A 5 -1.291 -14.987 4.890 1.00 0.77 H new ATOM 0 HB3 GLN A 5 -1.643 -14.231 3.348 1.00 0.77 H new ATOM 0 HG2 GLN A 5 -0.719 -17.089 3.850 1.00 0.83 H new ATOM 0 HG3 GLN A 5 -2.214 -16.558 3.106 1.00 0.83 H new ATOM 0 HE21 GLN A 5 0.567 -18.033 2.315 1.00 1.11 H new ATOM 0 HE22 GLN A 5 0.957 -17.303 0.754 1.00 1.11 H new ATOM 82 N LYS A 6 0.257 -12.005 3.536 1.00 0.73 N ATOM 83 CA LYS A 6 0.078 -10.631 3.959 1.00 0.80 C ATOM 84 C LYS A 6 -1.300 -10.133 3.530 1.00 0.78 C ATOM 85 O LYS A 6 -1.729 -10.361 2.397 1.00 0.94 O ATOM 86 CB LYS A 6 1.192 -9.744 3.407 1.00 0.97 C ATOM 87 CG LYS A 6 1.303 -9.802 1.876 1.00 1.29 C ATOM 88 CD LYS A 6 1.768 -8.470 1.300 1.00 1.41 C ATOM 89 CE LYS A 6 0.639 -7.431 1.396 1.00 1.70 C ATOM 90 NZ LYS A 6 0.942 -6.195 0.648 1.00 2.20 N ATOM 0 H LYS A 6 0.136 -12.137 2.532 1.00 0.73 H new ATOM 0 HA LYS A 6 0.136 -10.583 5.046 1.00 0.80 H new ATOM 0 HB2 LYS A 6 1.014 -8.713 3.714 1.00 0.97 H new ATOM 0 HB3 LYS A 6 2.142 -10.048 3.846 1.00 0.97 H new ATOM 0 HG2 LYS A 6 2.003 -10.587 1.590 1.00 1.29 H new ATOM 0 HG3 LYS A 6 0.335 -10.066 1.450 1.00 1.29 H new ATOM 0 HD2 LYS A 6 2.645 -8.117 1.842 1.00 1.41 H new ATOM 0 HD3 LYS A 6 2.067 -8.599 0.260 1.00 1.41 H new ATOM 0 HE2 LYS A 6 -0.284 -7.866 1.013 1.00 1.70 H new ATOM 0 HE3 LYS A 6 0.465 -7.184 2.443 1.00 1.70 H new ATOM 0 HZ1 LYS A 6 0.462 -5.390 1.098 1.00 2.20 H new ATOM 0 HZ2 LYS A 6 1.969 -6.031 0.650 1.00 2.20 H new ATOM 0 HZ3 LYS A 6 0.609 -6.292 -0.333 1.00 2.20 H new ATOM 104 N GLU A 7 -1.962 -9.414 4.428 1.00 0.74 N ATOM 105 CA GLU A 7 -3.155 -8.644 4.162 1.00 0.72 C ATOM 106 C GLU A 7 -2.752 -7.270 3.625 1.00 0.76 C ATOM 107 O GLU A 7 -1.667 -6.767 3.926 1.00 1.19 O ATOM 108 CB GLU A 7 -3.960 -8.485 5.462 1.00 0.84 C ATOM 109 CG GLU A 7 -4.183 -9.815 6.206 1.00 1.65 C ATOM 110 CD GLU A 7 -3.077 -10.180 7.201 1.00 1.93 C ATOM 111 OE1 GLU A 7 -1.944 -9.668 7.039 1.00 2.49 O ATOM 112 OE2 GLU A 7 -3.388 -10.978 8.109 1.00 2.70 O ATOM 0 H GLU A 7 -1.663 -9.354 5.401 1.00 0.74 H new ATOM 0 HA GLU A 7 -3.771 -9.155 3.422 1.00 0.72 H new ATOM 0 HB2 GLU A 7 -3.439 -7.791 6.121 1.00 0.84 H new ATOM 0 HB3 GLU A 7 -4.927 -8.040 5.230 1.00 0.84 H new ATOM 0 HG2 GLU A 7 -5.132 -9.763 6.740 1.00 1.65 H new ATOM 0 HG3 GLU A 7 -4.273 -10.616 5.473 1.00 1.65 H new ATOM 119 N ILE A 8 -3.632 -6.655 2.837 1.00 0.57 N ATOM 120 CA ILE A 8 -3.570 -5.232 2.516 1.00 0.60 C ATOM 121 C ILE A 8 -4.992 -4.759 2.176 1.00 0.46 C ATOM 122 O ILE A 8 -5.664 -5.405 1.368 1.00 0.49 O ATOM 123 CB ILE A 8 -2.538 -4.977 1.392 1.00 0.77 C ATOM 124 CG1 ILE A 8 -2.591 -3.524 0.896 1.00 0.77 C ATOM 125 CG2 ILE A 8 -2.723 -5.959 0.236 1.00 1.07 C ATOM 126 CD1 ILE A 8 -1.476 -3.193 -0.101 1.00 1.93 C ATOM 0 H ILE A 8 -4.417 -7.137 2.399 1.00 0.57 H new ATOM 0 HA ILE A 8 -3.219 -4.646 3.366 1.00 0.60 H new ATOM 0 HB ILE A 8 -1.548 -5.143 1.817 1.00 0.77 H new ATOM 0 HG12 ILE A 8 -3.557 -3.341 0.426 1.00 0.77 H new ATOM 0 HG13 ILE A 8 -2.519 -2.851 1.750 1.00 0.77 H new ATOM 0 HG21 ILE A 8 -1.983 -5.754 -0.538 1.00 1.07 H new ATOM 0 HG22 ILE A 8 -2.594 -6.978 0.600 1.00 1.07 H new ATOM 0 HG23 ILE A 8 -3.724 -5.846 -0.180 1.00 1.07 H new ATOM 0 HD11 ILE A 8 -1.566 -2.153 -0.415 1.00 1.93 H new ATOM 0 HD12 ILE A 8 -0.507 -3.346 0.373 1.00 1.93 H new ATOM 0 HD13 ILE A 8 -1.561 -3.844 -0.971 1.00 1.93 H new ATOM 138 N ALA A 9 -5.456 -3.668 2.805 1.00 0.46 N ATOM 139 CA ALA A 9 -6.772 -3.075 2.586 1.00 0.45 C ATOM 140 C ALA A 9 -6.621 -1.683 1.975 1.00 0.45 C ATOM 141 O ALA A 9 -5.903 -0.853 2.524 1.00 0.55 O ATOM 142 CB ALA A 9 -7.523 -3.004 3.918 1.00 0.53 C ATOM 0 H ALA A 9 -4.905 -3.164 3.499 1.00 0.46 H new ATOM 0 HA ALA A 9 -7.342 -3.692 1.892 1.00 0.45 H new ATOM 0 HB1 ALA A 9 -8.506 -2.562 3.758 1.00 0.53 H new ATOM 0 HB2 ALA A 9 -7.639 -4.009 4.324 1.00 0.53 H new ATOM 0 HB3 ALA A 9 -6.959 -2.391 4.621 1.00 0.53 H new ATOM 148 N MET A 10 -7.260 -1.425 0.831 1.00 0.41 N ATOM 149 CA MET A 10 -7.184 -0.135 0.136 1.00 0.45 C ATOM 150 C MET A 10 -8.544 0.223 -0.476 1.00 0.48 C ATOM 151 O MET A 10 -9.472 -0.580 -0.409 1.00 0.40 O ATOM 152 CB MET A 10 -6.077 -0.184 -0.931 1.00 0.49 C ATOM 153 CG MET A 10 -4.669 -0.191 -0.312 1.00 0.58 C ATOM 154 SD MET A 10 -3.296 -0.030 -1.480 1.00 1.30 S ATOM 155 CE MET A 10 -3.568 -1.465 -2.544 1.00 2.32 C ATOM 0 H MET A 10 -7.849 -2.109 0.357 1.00 0.41 H new ATOM 0 HA MET A 10 -6.931 0.648 0.851 1.00 0.45 H new ATOM 0 HB2 MET A 10 -6.206 -1.076 -1.544 1.00 0.49 H new ATOM 0 HB3 MET A 10 -6.176 0.676 -1.594 1.00 0.49 H new ATOM 0 HG2 MET A 10 -4.605 0.624 0.409 1.00 0.58 H new ATOM 0 HG3 MET A 10 -4.541 -1.120 0.244 1.00 0.58 H new ATOM 0 HE1 MET A 10 -2.731 -1.570 -3.235 1.00 2.32 H new ATOM 0 HE2 MET A 10 -3.647 -2.363 -1.931 1.00 2.32 H new ATOM 0 HE3 MET A 10 -4.490 -1.329 -3.109 1.00 2.32 H new ATOM 165 N GLN A 11 -8.674 1.416 -1.070 1.00 0.66 N ATOM 166 CA GLN A 11 -9.921 1.945 -1.612 1.00 0.57 C ATOM 167 C GLN A 11 -9.817 2.115 -3.134 1.00 0.56 C ATOM 168 O GLN A 11 -8.860 2.706 -3.638 1.00 0.67 O ATOM 169 CB GLN A 11 -10.241 3.273 -0.915 1.00 0.55 C ATOM 170 CG GLN A 11 -11.717 3.655 -1.068 1.00 1.48 C ATOM 171 CD GLN A 11 -11.933 4.904 -1.906 1.00 2.63 C ATOM 172 OE1 GLN A 11 -12.299 4.813 -3.070 1.00 3.54 O ATOM 173 NE2 GLN A 11 -11.724 6.080 -1.321 1.00 3.19 N ATOM 0 H GLN A 11 -7.888 2.055 -1.188 1.00 0.66 H new ATOM 0 HA GLN A 11 -10.735 1.245 -1.423 1.00 0.57 H new ATOM 0 HB2 GLN A 11 -9.993 3.197 0.144 1.00 0.55 H new ATOM 0 HB3 GLN A 11 -9.616 4.062 -1.333 1.00 0.55 H new ATOM 0 HG2 GLN A 11 -12.255 2.823 -1.523 1.00 1.48 H new ATOM 0 HG3 GLN A 11 -12.149 3.811 -0.079 1.00 1.48 H new ATOM 0 HE21 GLN A 11 -11.419 6.119 -0.348 1.00 3.19 H new ATOM 0 HE22 GLN A 11 -11.869 6.943 -1.845 1.00 3.19 H new ATOM 182 N VAL A 12 -10.804 1.588 -3.866 1.00 0.52 N ATOM 183 CA VAL A 12 -10.824 1.513 -5.316 1.00 0.53 C ATOM 184 C VAL A 12 -12.115 2.132 -5.854 1.00 0.53 C ATOM 185 O VAL A 12 -13.174 1.970 -5.252 1.00 0.63 O ATOM 186 CB VAL A 12 -10.667 0.040 -5.731 1.00 0.59 C ATOM 187 CG1 VAL A 12 -11.746 -0.880 -5.145 1.00 0.63 C ATOM 188 CG2 VAL A 12 -10.715 -0.097 -7.250 1.00 0.66 C ATOM 0 H VAL A 12 -11.640 1.188 -3.440 1.00 0.52 H new ATOM 0 HA VAL A 12 -9.998 2.081 -5.744 1.00 0.53 H new ATOM 0 HB VAL A 12 -9.700 -0.270 -5.334 1.00 0.59 H new ATOM 0 HG11 VAL A 12 -11.573 -1.903 -5.479 1.00 0.63 H new ATOM 0 HG12 VAL A 12 -11.705 -0.842 -4.056 1.00 0.63 H new ATOM 0 HG13 VAL A 12 -12.728 -0.550 -5.482 1.00 0.63 H new ATOM 0 HG21 VAL A 12 -10.602 -1.146 -7.524 1.00 0.66 H new ATOM 0 HG22 VAL A 12 -11.671 0.274 -7.619 1.00 0.66 H new ATOM 0 HG23 VAL A 12 -9.906 0.483 -7.693 1.00 0.66 H new ATOM 198 N SER A 13 -12.017 2.800 -7.007 1.00 0.55 N ATOM 199 CA SER A 13 -13.121 3.440 -7.707 1.00 0.64 C ATOM 200 C SER A 13 -13.425 2.703 -9.008 1.00 0.81 C ATOM 201 O SER A 13 -12.527 2.099 -9.594 1.00 1.12 O ATOM 202 CB SER A 13 -12.769 4.882 -8.073 1.00 0.66 C ATOM 203 OG SER A 13 -11.713 5.399 -7.287 1.00 0.97 O ATOM 0 H SER A 13 -11.127 2.911 -7.493 1.00 0.55 H new ATOM 0 HA SER A 13 -13.983 3.418 -7.040 1.00 0.64 H new ATOM 0 HB2 SER A 13 -12.490 4.928 -9.126 1.00 0.66 H new ATOM 0 HB3 SER A 13 -13.651 5.510 -7.949 1.00 0.66 H new ATOM 0 HG SER A 13 -10.876 4.948 -7.526 1.00 0.97 H new ATOM 209 N GLY A 14 -14.672 2.828 -9.475 1.00 0.81 N ATOM 210 CA GLY A 14 -15.221 2.107 -10.618 1.00 0.94 C ATOM 211 C GLY A 14 -16.189 1.013 -10.155 1.00 0.84 C ATOM 212 O GLY A 14 -16.801 0.321 -10.969 1.00 0.90 O ATOM 0 H GLY A 14 -15.349 3.460 -9.047 1.00 0.81 H new ATOM 0 HA2 GLY A 14 -15.739 2.803 -11.278 1.00 0.94 H new ATOM 0 HA3 GLY A 14 -14.411 1.662 -11.196 1.00 0.94 H new ATOM 216 N MET A 15 -16.333 0.844 -8.836 1.00 0.77 N ATOM 217 CA MET A 15 -17.176 -0.215 -8.294 1.00 0.79 C ATOM 218 C MET A 15 -18.665 0.101 -8.430 1.00 0.80 C ATOM 219 O MET A 15 -19.291 0.621 -7.513 1.00 0.93 O ATOM 220 CB MET A 15 -16.801 -0.536 -6.846 1.00 0.88 C ATOM 221 CG MET A 15 -15.438 -1.227 -6.772 1.00 1.08 C ATOM 222 SD MET A 15 -15.158 -2.155 -5.248 1.00 1.54 S ATOM 223 CE MET A 15 -15.347 -0.864 -4.004 1.00 2.59 C ATOM 0 H MET A 15 -15.878 1.425 -8.132 1.00 0.77 H new ATOM 0 HA MET A 15 -16.990 -1.107 -8.893 1.00 0.79 H new ATOM 0 HB2 MET A 15 -16.779 0.383 -6.260 1.00 0.88 H new ATOM 0 HB3 MET A 15 -17.563 -1.178 -6.403 1.00 0.88 H new ATOM 0 HG2 MET A 15 -15.341 -1.905 -7.620 1.00 1.08 H new ATOM 0 HG3 MET A 15 -14.656 -0.475 -6.874 1.00 1.08 H new ATOM 0 HE1 MET A 15 -14.979 -1.227 -3.044 1.00 2.59 H new ATOM 0 HE2 MET A 15 -14.776 0.015 -4.302 1.00 2.59 H new ATOM 0 HE3 MET A 15 -16.400 -0.599 -3.912 1.00 2.59 H new ATOM 233 N THR A 16 -19.252 -0.317 -9.553 1.00 0.88 N ATOM 234 CA THR A 16 -20.694 -0.334 -9.774 1.00 1.02 C ATOM 235 C THR A 16 -21.475 -1.023 -8.651 1.00 0.93 C ATOM 236 O THR A 16 -22.647 -0.711 -8.469 1.00 1.06 O ATOM 237 CB THR A 16 -20.966 -0.994 -11.134 1.00 1.27 C ATOM 238 OG1 THR A 16 -20.073 -0.444 -12.081 1.00 1.46 O ATOM 239 CG2 THR A 16 -22.405 -0.794 -11.621 1.00 1.58 C ATOM 0 H THR A 16 -18.721 -0.661 -10.353 1.00 0.88 H new ATOM 0 HA THR A 16 -21.052 0.696 -9.773 1.00 1.02 H new ATOM 0 HB THR A 16 -20.819 -2.068 -11.018 1.00 1.27 H new ATOM 0 HG1 THR A 16 -19.652 -1.167 -12.592 1.00 1.46 H new ATOM 0 HG21 THR A 16 -22.534 -1.283 -12.586 1.00 1.58 H new ATOM 0 HG22 THR A 16 -23.097 -1.228 -10.899 1.00 1.58 H new ATOM 0 HG23 THR A 16 -22.609 0.272 -11.724 1.00 1.58 H new ATOM 247 N CYS A 17 -20.843 -1.959 -7.929 1.00 0.94 N ATOM 248 CA CYS A 17 -21.432 -2.697 -6.814 1.00 1.20 C ATOM 249 C CYS A 17 -22.383 -3.761 -7.353 1.00 1.17 C ATOM 250 O CYS A 17 -23.553 -3.492 -7.608 1.00 2.51 O ATOM 251 CB CYS A 17 -22.077 -1.792 -5.753 1.00 2.38 C ATOM 252 SG CYS A 17 -22.884 -2.840 -4.521 1.00 3.11 S ATOM 0 H CYS A 17 -19.877 -2.228 -8.115 1.00 0.94 H new ATOM 0 HA CYS A 17 -20.626 -3.197 -6.277 1.00 1.20 H new ATOM 0 HB2 CYS A 17 -21.322 -1.164 -5.280 1.00 2.38 H new ATOM 0 HB3 CYS A 17 -22.803 -1.123 -6.216 1.00 2.38 H new ATOM 0 HG CYS A 17 -23.436 -2.094 -3.611 1.00 3.11 H new ATOM 258 N ALA A 18 -21.822 -4.956 -7.570 1.00 1.21 N ATOM 259 CA ALA A 18 -22.387 -6.155 -8.179 1.00 1.74 C ATOM 260 C ALA A 18 -21.234 -6.792 -8.959 1.00 1.45 C ATOM 261 O ALA A 18 -20.169 -7.036 -8.387 1.00 2.21 O ATOM 262 CB ALA A 18 -23.634 -5.882 -9.042 1.00 2.73 C ATOM 0 H ALA A 18 -20.855 -5.119 -7.291 1.00 1.21 H new ATOM 0 HA ALA A 18 -22.773 -6.834 -7.419 1.00 1.74 H new ATOM 0 HB1 ALA A 18 -23.998 -6.820 -9.462 1.00 2.73 H new ATOM 0 HB2 ALA A 18 -24.413 -5.434 -8.425 1.00 2.73 H new ATOM 0 HB3 ALA A 18 -23.374 -5.199 -9.851 1.00 2.73 H new ATOM 268 N ALA A 19 -21.405 -6.992 -10.269 1.00 1.32 N ATOM 269 CA ALA A 19 -20.442 -7.669 -11.123 1.00 1.13 C ATOM 270 C ALA A 19 -19.045 -7.048 -11.060 1.00 0.87 C ATOM 271 O ALA A 19 -18.064 -7.759 -11.244 1.00 0.79 O ATOM 272 CB ALA A 19 -20.954 -7.678 -12.565 1.00 1.56 C ATOM 0 H ALA A 19 -22.236 -6.679 -10.770 1.00 1.32 H new ATOM 0 HA ALA A 19 -20.343 -8.689 -10.753 1.00 1.13 H new ATOM 0 HB1 ALA A 19 -20.232 -8.186 -13.204 1.00 1.56 H new ATOM 0 HB2 ALA A 19 -21.909 -8.202 -12.609 1.00 1.56 H new ATOM 0 HB3 ALA A 19 -21.087 -6.653 -12.910 1.00 1.56 H new ATOM 278 N CYS A 20 -18.935 -5.736 -10.836 1.00 0.82 N ATOM 279 CA CYS A 20 -17.668 -5.030 -10.929 1.00 0.73 C ATOM 280 C CYS A 20 -16.724 -5.507 -9.831 1.00 0.56 C ATOM 281 O CYS A 20 -15.628 -6.015 -10.080 1.00 0.49 O ATOM 282 CB CYS A 20 -17.923 -3.520 -10.827 1.00 0.87 C ATOM 283 SG CYS A 20 -18.274 -2.867 -12.479 1.00 1.15 S ATOM 0 H CYS A 20 -19.724 -5.140 -10.586 1.00 0.82 H new ATOM 0 HA CYS A 20 -17.196 -5.239 -11.889 1.00 0.73 H new ATOM 0 HB2 CYS A 20 -18.762 -3.324 -10.159 1.00 0.87 H new ATOM 0 HB3 CYS A 20 -17.053 -3.019 -10.402 1.00 0.87 H new ATOM 0 HG CYS A 20 -17.821 -1.652 -12.571 1.00 1.15 H new ATOM 289 N ALA A 21 -17.186 -5.374 -8.590 1.00 0.59 N ATOM 290 CA ALA A 21 -16.441 -5.797 -7.420 1.00 0.61 C ATOM 291 C ALA A 21 -16.108 -7.292 -7.540 1.00 0.52 C ATOM 292 O ALA A 21 -14.949 -7.686 -7.419 1.00 0.52 O ATOM 293 CB ALA A 21 -17.268 -5.448 -6.181 1.00 0.86 C ATOM 0 H ALA A 21 -18.095 -4.966 -8.373 1.00 0.59 H new ATOM 0 HA ALA A 21 -15.485 -5.280 -7.334 1.00 0.61 H new ATOM 0 HB1 ALA A 21 -16.729 -5.756 -5.285 1.00 0.86 H new ATOM 0 HB2 ALA A 21 -17.439 -4.372 -6.149 1.00 0.86 H new ATOM 0 HB3 ALA A 21 -18.226 -5.967 -6.225 1.00 0.86 H new ATOM 299 N ALA A 22 -17.109 -8.114 -7.874 1.00 0.57 N ATOM 300 CA ALA A 22 -16.922 -9.544 -8.107 1.00 0.62 C ATOM 301 C ALA A 22 -15.887 -9.818 -9.202 1.00 0.55 C ATOM 302 O ALA A 22 -15.102 -10.759 -9.094 1.00 0.59 O ATOM 303 CB ALA A 22 -18.267 -10.186 -8.452 1.00 0.76 C ATOM 0 H ALA A 22 -18.073 -7.802 -7.990 1.00 0.57 H new ATOM 0 HA ALA A 22 -16.533 -9.990 -7.191 1.00 0.62 H new ATOM 0 HB1 ALA A 22 -18.127 -11.253 -8.626 1.00 0.76 H new ATOM 0 HB2 ALA A 22 -18.962 -10.041 -7.625 1.00 0.76 H new ATOM 0 HB3 ALA A 22 -18.672 -9.722 -9.351 1.00 0.76 H new ATOM 309 N ARG A 23 -15.872 -9.014 -10.268 1.00 0.52 N ATOM 310 CA ARG A 23 -14.912 -9.156 -11.345 1.00 0.56 C ATOM 311 C ARG A 23 -13.508 -8.934 -10.816 1.00 0.49 C ATOM 312 O ARG A 23 -12.605 -9.681 -11.185 1.00 0.53 O ATOM 313 CB ARG A 23 -15.206 -8.189 -12.502 1.00 0.63 C ATOM 314 CG ARG A 23 -15.990 -8.878 -13.618 1.00 0.77 C ATOM 315 CD ARG A 23 -15.146 -9.999 -14.250 1.00 0.85 C ATOM 316 NE ARG A 23 -15.165 -9.903 -15.720 1.00 1.03 N ATOM 317 CZ ARG A 23 -14.490 -10.703 -16.559 1.00 1.53 C ATOM 318 NH1 ARG A 23 -13.774 -11.719 -16.070 1.00 2.36 N ATOM 319 NH2 ARG A 23 -14.531 -10.479 -17.879 1.00 1.62 N ATOM 0 H ARG A 23 -16.531 -8.247 -10.401 1.00 0.52 H new ATOM 0 HA ARG A 23 -14.996 -10.169 -11.738 1.00 0.56 H new ATOM 0 HB2 ARG A 23 -15.773 -7.336 -12.130 1.00 0.63 H new ATOM 0 HB3 ARG A 23 -14.269 -7.800 -12.900 1.00 0.63 H new ATOM 0 HG2 ARG A 23 -16.916 -9.292 -13.219 1.00 0.77 H new ATOM 0 HG3 ARG A 23 -16.268 -8.149 -14.380 1.00 0.77 H new ATOM 0 HD2 ARG A 23 -14.119 -9.934 -13.890 1.00 0.85 H new ATOM 0 HD3 ARG A 23 -15.532 -10.970 -13.939 1.00 0.85 H new ATOM 0 HE ARG A 23 -15.738 -9.168 -16.134 1.00 1.03 H new ATOM 0 HH11 ARG A 23 -13.743 -11.883 -15.064 1.00 2.36 H new ATOM 0 HH12 ARG A 23 -13.259 -12.331 -16.703 1.00 2.36 H new ATOM 0 HH21 ARG A 23 -15.076 -9.699 -18.247 1.00 1.62 H new ATOM 0 HH22 ARG A 23 -14.017 -11.088 -18.516 1.00 1.62 H new ATOM 333 N ILE A 24 -13.315 -7.929 -9.963 1.00 0.43 N ATOM 334 CA ILE A 24 -12.031 -7.735 -9.328 1.00 0.45 C ATOM 335 C ILE A 24 -11.727 -8.957 -8.469 1.00 0.47 C ATOM 336 O ILE A 24 -10.700 -9.593 -8.673 1.00 0.56 O ATOM 337 CB ILE A 24 -12.012 -6.420 -8.543 1.00 0.44 C ATOM 338 CG1 ILE A 24 -12.163 -5.237 -9.513 1.00 0.54 C ATOM 339 CG2 ILE A 24 -10.702 -6.282 -7.772 1.00 0.54 C ATOM 340 CD1 ILE A 24 -12.704 -3.997 -8.807 1.00 0.49 C ATOM 0 H ILE A 24 -14.029 -7.248 -9.704 1.00 0.43 H new ATOM 0 HA ILE A 24 -11.240 -7.645 -10.073 1.00 0.45 H new ATOM 0 HB ILE A 24 -12.841 -6.422 -7.835 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -11.196 -5.008 -9.962 1.00 0.54 H new ATOM 0 HG13 ILE A 24 -12.834 -5.515 -10.326 1.00 0.54 H new ATOM 0 HG21 ILE A 24 -10.703 -5.343 -7.219 1.00 0.54 H new ATOM 0 HG22 ILE A 24 -10.601 -7.114 -7.075 1.00 0.54 H new ATOM 0 HG23 ILE A 24 -9.866 -6.291 -8.471 1.00 0.54 H new ATOM 0 HD11 ILE A 24 -12.797 -3.182 -9.524 1.00 0.49 H new ATOM 0 HD12 ILE A 24 -13.682 -4.219 -8.381 1.00 0.49 H new ATOM 0 HD13 ILE A 24 -12.019 -3.704 -8.011 1.00 0.49 H new ATOM 352 N GLU A 25 -12.608 -9.326 -7.536 1.00 0.49 N ATOM 353 CA GLU A 25 -12.324 -10.429 -6.633 1.00 0.58 C ATOM 354 C GLU A 25 -11.942 -11.690 -7.402 1.00 0.59 C ATOM 355 O GLU A 25 -10.991 -12.370 -7.022 1.00 0.72 O ATOM 356 CB GLU A 25 -13.528 -10.720 -5.734 1.00 0.73 C ATOM 357 CG GLU A 25 -13.819 -9.600 -4.732 1.00 0.81 C ATOM 358 CD GLU A 25 -15.024 -9.962 -3.874 1.00 2.50 C ATOM 359 OE1 GLU A 25 -16.000 -10.470 -4.465 1.00 3.78 O ATOM 360 OE2 GLU A 25 -14.947 -9.727 -2.648 1.00 3.16 O ATOM 0 H GLU A 25 -13.513 -8.879 -7.392 1.00 0.49 H new ATOM 0 HA GLU A 25 -11.479 -10.131 -6.012 1.00 0.58 H new ATOM 0 HB2 GLU A 25 -14.408 -10.879 -6.357 1.00 0.73 H new ATOM 0 HB3 GLU A 25 -13.351 -11.648 -5.190 1.00 0.73 H new ATOM 0 HG2 GLU A 25 -12.948 -9.434 -4.098 1.00 0.81 H new ATOM 0 HG3 GLU A 25 -14.009 -8.667 -5.263 1.00 0.81 H new ATOM 367 N LYS A 26 -12.684 -12.028 -8.462 1.00 0.57 N ATOM 368 CA LYS A 26 -12.419 -13.198 -9.266 1.00 0.67 C ATOM 369 C LYS A 26 -11.142 -13.025 -10.097 1.00 0.65 C ATOM 370 O LYS A 26 -10.292 -13.914 -10.132 1.00 0.78 O ATOM 371 CB LYS A 26 -13.663 -13.562 -10.091 1.00 0.80 C ATOM 372 CG LYS A 26 -13.333 -14.850 -10.857 1.00 0.93 C ATOM 373 CD LYS A 26 -14.508 -15.796 -11.149 1.00 1.48 C ATOM 374 CE LYS A 26 -15.258 -15.472 -12.448 1.00 1.35 C ATOM 375 NZ LYS A 26 -16.232 -16.534 -12.791 1.00 1.87 N ATOM 0 H LYS A 26 -13.488 -11.486 -8.778 1.00 0.57 H new ATOM 0 HA LYS A 26 -12.220 -14.051 -8.617 1.00 0.67 H new ATOM 0 HB2 LYS A 26 -14.526 -13.710 -9.442 1.00 0.80 H new ATOM 0 HB3 LYS A 26 -13.917 -12.757 -10.781 1.00 0.80 H new ATOM 0 HG2 LYS A 26 -12.874 -14.574 -11.806 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -12.584 -15.402 -10.289 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -14.134 -16.819 -11.202 1.00 1.48 H new ATOM 0 HD3 LYS A 26 -15.210 -15.756 -10.316 1.00 1.48 H new ATOM 0 HE2 LYS A 26 -15.778 -14.520 -12.341 1.00 1.35 H new ATOM 0 HE3 LYS A 26 -14.543 -15.355 -13.263 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 -16.722 -16.284 -13.674 1.00 1.87 H new ATOM 0 HZ2 LYS A 26 -15.731 -17.437 -12.916 1.00 1.87 H new ATOM 0 HZ3 LYS A 26 -16.928 -16.628 -12.024 1.00 1.87 H new ATOM 389 N GLY A 27 -11.007 -11.884 -10.772 1.00 0.57 N ATOM 390 CA GLY A 27 -9.851 -11.568 -11.595 1.00 0.58 C ATOM 391 C GLY A 27 -8.561 -11.660 -10.785 1.00 0.53 C ATOM 392 O GLY A 27 -7.561 -12.187 -11.269 1.00 0.58 O ATOM 0 H GLY A 27 -11.711 -11.146 -10.759 1.00 0.57 H new ATOM 0 HA2 GLY A 27 -9.803 -12.254 -12.440 1.00 0.58 H new ATOM 0 HA3 GLY A 27 -9.956 -10.564 -12.005 1.00 0.58 H new ATOM 396 N LEU A 28 -8.583 -11.148 -9.555 1.00 0.46 N ATOM 397 CA LEU A 28 -7.471 -11.247 -8.628 1.00 0.44 C ATOM 398 C LEU A 28 -7.336 -12.688 -8.118 1.00 0.51 C ATOM 399 O LEU A 28 -6.221 -13.194 -8.075 1.00 0.53 O ATOM 400 CB LEU A 28 -7.598 -10.185 -7.517 1.00 0.46 C ATOM 401 CG LEU A 28 -7.103 -8.774 -7.927 1.00 0.54 C ATOM 402 CD1 LEU A 28 -5.573 -8.743 -8.012 1.00 1.40 C ATOM 403 CD2 LEU A 28 -7.708 -8.243 -9.231 1.00 1.60 C ATOM 0 H LEU A 28 -9.387 -10.648 -9.175 1.00 0.46 H new ATOM 0 HA LEU A 28 -6.534 -11.023 -9.138 1.00 0.44 H new ATOM 0 HB2 LEU A 28 -8.642 -10.117 -7.212 1.00 0.46 H new ATOM 0 HB3 LEU A 28 -7.033 -10.517 -6.646 1.00 0.46 H new ATOM 0 HG LEU A 28 -7.452 -8.107 -7.139 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -5.245 -7.745 -8.301 1.00 1.40 H new ATOM 0 HD12 LEU A 28 -5.149 -8.997 -7.040 1.00 1.40 H new ATOM 0 HD13 LEU A 28 -5.235 -9.465 -8.755 1.00 1.40 H new ATOM 0 HD21 LEU A 28 -7.307 -7.252 -9.441 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -7.457 -8.917 -10.050 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -8.792 -8.182 -9.131 1.00 1.60 H new ATOM 415 N LYS A 29 -8.437 -13.389 -7.800 1.00 0.58 N ATOM 416 CA LYS A 29 -8.382 -14.809 -7.421 1.00 0.68 C ATOM 417 C LYS A 29 -7.620 -15.655 -8.449 1.00 0.74 C ATOM 418 O LYS A 29 -7.071 -16.698 -8.109 1.00 0.85 O ATOM 419 CB LYS A 29 -9.787 -15.405 -7.203 1.00 0.72 C ATOM 420 CG LYS A 29 -9.823 -16.396 -6.030 1.00 0.84 C ATOM 421 CD LYS A 29 -10.031 -15.707 -4.668 1.00 1.08 C ATOM 422 CE LYS A 29 -11.510 -15.520 -4.281 1.00 1.11 C ATOM 423 NZ LYS A 29 -12.209 -14.497 -5.085 1.00 2.50 N ATOM 0 H LYS A 29 -9.377 -12.994 -7.798 1.00 0.58 H new ATOM 0 HA LYS A 29 -7.839 -14.842 -6.476 1.00 0.68 H new ATOM 0 HB2 LYS A 29 -10.497 -14.599 -7.017 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -10.110 -15.910 -8.113 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -10.625 -17.115 -6.194 1.00 0.84 H new ATOM 0 HG3 LYS A 29 -8.890 -16.959 -6.008 1.00 0.84 H new ATOM 0 HD2 LYS A 29 -9.535 -16.295 -3.895 1.00 1.08 H new ATOM 0 HD3 LYS A 29 -9.545 -14.732 -4.688 1.00 1.08 H new ATOM 0 HE2 LYS A 29 -12.028 -16.473 -4.391 1.00 1.11 H new ATOM 0 HE3 LYS A 29 -11.569 -15.245 -3.228 1.00 1.11 H new ATOM 0 HZ1 LYS A 29 -12.970 -14.070 -4.519 1.00 2.50 H new ATOM 0 HZ2 LYS A 29 -11.534 -13.759 -5.370 1.00 2.50 H new ATOM 0 HZ3 LYS A 29 -12.616 -14.940 -5.933 1.00 2.50 H new ATOM 437 N ARG A 30 -7.609 -15.222 -9.714 1.00 0.73 N ATOM 438 CA ARG A 30 -6.854 -15.871 -10.779 1.00 0.80 C ATOM 439 C ARG A 30 -5.355 -15.999 -10.461 1.00 0.76 C ATOM 440 O ARG A 30 -4.692 -16.874 -11.014 1.00 0.84 O ATOM 441 CB ARG A 30 -7.068 -15.096 -12.089 1.00 0.84 C ATOM 442 CG ARG A 30 -7.001 -16.024 -13.311 1.00 1.02 C ATOM 443 CD ARG A 30 -7.442 -15.289 -14.584 1.00 1.44 C ATOM 444 NE ARG A 30 -7.363 -16.173 -15.759 1.00 1.68 N ATOM 445 CZ ARG A 30 -7.723 -15.836 -17.010 1.00 2.21 C ATOM 446 NH1 ARG A 30 -8.203 -14.612 -17.254 1.00 3.17 N ATOM 447 NH2 ARG A 30 -7.604 -16.720 -18.006 1.00 2.49 N ATOM 0 H ARG A 30 -8.131 -14.403 -10.025 1.00 0.73 H new ATOM 0 HA ARG A 30 -7.228 -16.890 -10.879 1.00 0.80 H new ATOM 0 HB2 ARG A 30 -8.036 -14.597 -12.063 1.00 0.84 H new ATOM 0 HB3 ARG A 30 -6.310 -14.318 -12.180 1.00 0.84 H new ATOM 0 HG2 ARG A 30 -5.984 -16.395 -13.435 1.00 1.02 H new ATOM 0 HG3 ARG A 30 -7.640 -16.892 -13.148 1.00 1.02 H new ATOM 0 HD2 ARG A 30 -8.464 -14.928 -14.464 1.00 1.44 H new ATOM 0 HD3 ARG A 30 -6.811 -14.414 -14.740 1.00 1.44 H new ATOM 0 HE ARG A 30 -7.006 -17.117 -15.612 1.00 1.68 H new ATOM 0 HH11 ARG A 30 -8.295 -13.939 -16.493 1.00 3.17 H new ATOM 0 HH12 ARG A 30 -8.478 -14.351 -18.201 1.00 3.17 H new ATOM 0 HH21 ARG A 30 -7.239 -17.654 -17.818 1.00 2.49 H new ATOM 0 HH22 ARG A 30 -7.878 -16.461 -18.954 1.00 2.49 H new ATOM 461 N MET A 31 -4.801 -15.101 -9.639 1.00 0.66 N ATOM 462 CA MET A 31 -3.381 -15.093 -9.304 1.00 0.62 C ATOM 463 C MET A 31 -3.055 -16.149 -8.240 1.00 0.63 C ATOM 464 O MET A 31 -3.882 -16.410 -7.372 1.00 0.70 O ATOM 465 CB MET A 31 -2.996 -13.687 -8.835 1.00 0.53 C ATOM 466 CG MET A 31 -2.835 -12.782 -10.058 1.00 0.64 C ATOM 467 SD MET A 31 -1.115 -12.722 -10.630 1.00 1.12 S ATOM 468 CE MET A 31 -1.326 -12.057 -12.292 1.00 1.23 C ATOM 0 H MET A 31 -5.332 -14.357 -9.187 1.00 0.66 H new ATOM 0 HA MET A 31 -2.797 -15.350 -10.187 1.00 0.62 H new ATOM 0 HB2 MET A 31 -3.762 -13.289 -8.170 1.00 0.53 H new ATOM 0 HB3 MET A 31 -2.067 -13.721 -8.266 1.00 0.53 H new ATOM 0 HG2 MET A 31 -3.474 -13.143 -10.864 1.00 0.64 H new ATOM 0 HG3 MET A 31 -3.171 -11.775 -9.812 1.00 0.64 H new ATOM 0 HE1 MET A 31 -0.635 -12.554 -12.973 1.00 1.23 H new ATOM 0 HE2 MET A 31 -2.350 -12.228 -12.625 1.00 1.23 H new ATOM 0 HE3 MET A 31 -1.121 -10.987 -12.284 1.00 1.23 H new ATOM 478 N PRO A 32 -1.853 -16.749 -8.282 1.00 0.67 N ATOM 479 CA PRO A 32 -1.480 -17.831 -7.384 1.00 0.69 C ATOM 480 C PRO A 32 -1.303 -17.332 -5.950 1.00 0.73 C ATOM 481 O PRO A 32 -1.797 -17.961 -5.017 1.00 1.27 O ATOM 482 CB PRO A 32 -0.181 -18.407 -7.955 1.00 0.81 C ATOM 483 CG PRO A 32 0.443 -17.227 -8.699 1.00 0.87 C ATOM 484 CD PRO A 32 -0.777 -16.466 -9.221 1.00 0.77 C ATOM 0 HA PRO A 32 -2.257 -18.593 -7.327 1.00 0.69 H new ATOM 0 HB2 PRO A 32 0.475 -18.775 -7.166 1.00 0.81 H new ATOM 0 HB3 PRO A 32 -0.375 -19.245 -8.624 1.00 0.81 H new ATOM 0 HG2 PRO A 32 1.052 -16.610 -8.038 1.00 0.87 H new ATOM 0 HG3 PRO A 32 1.090 -17.558 -9.511 1.00 0.87 H new ATOM 0 HD2 PRO A 32 -0.577 -15.396 -9.275 1.00 0.77 H new ATOM 0 HD3 PRO A 32 -1.040 -16.792 -10.227 1.00 0.77 H new ATOM 492 N GLY A 33 -0.619 -16.198 -5.765 1.00 0.58 N ATOM 493 CA GLY A 33 -0.325 -15.683 -4.442 1.00 0.56 C ATOM 494 C GLY A 33 -1.607 -15.289 -3.723 1.00 0.48 C ATOM 495 O GLY A 33 -1.663 -15.370 -2.498 1.00 0.48 O ATOM 0 H GLY A 33 -0.260 -15.622 -6.527 1.00 0.58 H new ATOM 0 HA2 GLY A 33 0.206 -16.438 -3.862 1.00 0.56 H new ATOM 0 HA3 GLY A 33 0.334 -14.819 -4.521 1.00 0.56 H new ATOM 499 N VAL A 34 -2.607 -14.817 -4.482 1.00 0.51 N ATOM 500 CA VAL A 34 -3.908 -14.427 -3.967 1.00 0.47 C ATOM 501 C VAL A 34 -4.535 -15.587 -3.210 1.00 0.49 C ATOM 502 O VAL A 34 -5.126 -16.491 -3.797 1.00 0.74 O ATOM 503 CB VAL A 34 -4.792 -13.813 -5.065 1.00 0.55 C ATOM 504 CG1 VAL A 34 -6.204 -13.534 -4.539 1.00 1.48 C ATOM 505 CG2 VAL A 34 -4.180 -12.474 -5.509 1.00 1.21 C ATOM 0 H VAL A 34 -2.522 -14.697 -5.491 1.00 0.51 H new ATOM 0 HA VAL A 34 -3.791 -13.623 -3.241 1.00 0.47 H new ATOM 0 HB VAL A 34 -4.848 -14.518 -5.894 1.00 0.55 H new ATOM 0 HG11 VAL A 34 -6.810 -13.100 -5.335 1.00 1.48 H new ATOM 0 HG12 VAL A 34 -6.659 -14.467 -4.205 1.00 1.48 H new ATOM 0 HG13 VAL A 34 -6.150 -12.837 -3.703 1.00 1.48 H new ATOM 0 HG21 VAL A 34 -4.800 -12.031 -6.288 1.00 1.21 H new ATOM 0 HG22 VAL A 34 -4.129 -11.797 -4.656 1.00 1.21 H new ATOM 0 HG23 VAL A 34 -3.176 -12.644 -5.898 1.00 1.21 H new ATOM 515 N THR A 35 -4.416 -15.523 -1.884 1.00 0.39 N ATOM 516 CA THR A 35 -4.948 -16.532 -1.002 1.00 0.45 C ATOM 517 C THR A 35 -6.422 -16.223 -0.799 1.00 0.50 C ATOM 518 O THR A 35 -7.252 -17.128 -0.865 1.00 0.63 O ATOM 519 CB THR A 35 -4.157 -16.555 0.304 1.00 0.54 C ATOM 520 OG1 THR A 35 -2.823 -16.898 -0.009 1.00 0.65 O ATOM 521 CG2 THR A 35 -4.696 -17.616 1.268 1.00 0.68 C ATOM 0 H THR A 35 -3.943 -14.760 -1.400 1.00 0.39 H new ATOM 0 HA THR A 35 -4.855 -17.532 -1.426 1.00 0.45 H new ATOM 0 HB THR A 35 -4.236 -15.577 0.779 1.00 0.54 H new ATOM 0 HG1 THR A 35 -2.526 -17.625 0.577 1.00 0.65 H new ATOM 0 HG21 THR A 35 -4.110 -17.604 2.187 1.00 0.68 H new ATOM 0 HG22 THR A 35 -5.739 -17.400 1.500 1.00 0.68 H new ATOM 0 HG23 THR A 35 -4.624 -18.600 0.804 1.00 0.68 H new ATOM 529 N ASP A 36 -6.751 -14.939 -0.606 1.00 0.47 N ATOM 530 CA ASP A 36 -8.131 -14.497 -0.641 1.00 0.56 C ATOM 531 C ASP A 36 -8.210 -13.055 -1.145 1.00 0.55 C ATOM 532 O ASP A 36 -7.218 -12.325 -1.137 1.00 1.05 O ATOM 533 CB ASP A 36 -8.768 -14.686 0.738 1.00 0.72 C ATOM 534 CG ASP A 36 -10.283 -14.538 0.701 1.00 0.95 C ATOM 535 OD1 ASP A 36 -10.840 -14.519 -0.422 1.00 1.56 O ATOM 536 OD2 ASP A 36 -10.856 -14.398 1.802 1.00 1.81 O ATOM 0 H ASP A 36 -6.074 -14.198 -0.425 1.00 0.47 H new ATOM 0 HA ASP A 36 -8.702 -15.104 -1.344 1.00 0.56 H new ATOM 0 HB2 ASP A 36 -8.511 -15.673 1.122 1.00 0.72 H new ATOM 0 HB3 ASP A 36 -8.351 -13.956 1.431 1.00 0.72 H new ATOM 541 N ALA A 37 -9.388 -12.659 -1.618 1.00 0.57 N ATOM 542 CA ALA A 37 -9.674 -11.358 -2.193 1.00 0.47 C ATOM 543 C ALA A 37 -11.117 -11.014 -1.845 1.00 0.46 C ATOM 544 O ALA A 37 -12.026 -11.632 -2.397 1.00 0.57 O ATOM 545 CB ALA A 37 -9.455 -11.403 -3.710 1.00 0.50 C ATOM 0 H ALA A 37 -10.205 -13.269 -1.608 1.00 0.57 H new ATOM 0 HA ALA A 37 -9.010 -10.592 -1.794 1.00 0.47 H new ATOM 0 HB1 ALA A 37 -9.671 -10.424 -4.138 1.00 0.50 H new ATOM 0 HB2 ALA A 37 -8.420 -11.671 -3.920 1.00 0.50 H new ATOM 0 HB3 ALA A 37 -10.119 -12.146 -4.152 1.00 0.50 H new ATOM 551 N ASN A 38 -11.301 -10.061 -0.925 1.00 0.47 N ATOM 552 CA ASN A 38 -12.603 -9.647 -0.406 1.00 0.51 C ATOM 553 C ASN A 38 -12.807 -8.168 -0.702 1.00 0.44 C ATOM 554 O ASN A 38 -11.881 -7.384 -0.532 1.00 0.66 O ATOM 555 CB ASN A 38 -12.672 -9.815 1.117 1.00 0.60 C ATOM 556 CG ASN A 38 -12.633 -11.269 1.556 1.00 0.86 C ATOM 557 OD1 ASN A 38 -13.671 -11.889 1.762 1.00 1.83 O ATOM 558 ND2 ASN A 38 -11.430 -11.802 1.729 1.00 1.39 N ATOM 0 H ASN A 38 -10.525 -9.544 -0.511 1.00 0.47 H new ATOM 0 HA ASN A 38 -13.364 -10.266 -0.880 1.00 0.51 H new ATOM 0 HB2 ASN A 38 -11.839 -9.281 1.574 1.00 0.60 H new ATOM 0 HB3 ASN A 38 -13.588 -9.354 1.487 1.00 0.60 H new ATOM 0 HD21 ASN A 38 -11.341 -12.767 2.046 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -10.595 -11.246 1.545 1.00 1.39 H new ATOM 565 N VAL A 39 -14.009 -7.761 -1.092 1.00 0.48 N ATOM 566 CA VAL A 39 -14.360 -6.370 -1.315 1.00 0.48 C ATOM 567 C VAL A 39 -15.519 -5.950 -0.410 1.00 0.53 C ATOM 568 O VAL A 39 -16.677 -6.313 -0.618 1.00 0.71 O ATOM 569 CB VAL A 39 -14.595 -6.181 -2.818 1.00 0.74 C ATOM 570 CG1 VAL A 39 -15.912 -6.792 -3.314 1.00 1.15 C ATOM 571 CG2 VAL A 39 -14.511 -4.707 -3.213 1.00 0.64 C ATOM 0 H VAL A 39 -14.781 -8.405 -1.265 1.00 0.48 H new ATOM 0 HA VAL A 39 -13.553 -5.695 -1.032 1.00 0.48 H new ATOM 0 HB VAL A 39 -13.791 -6.728 -3.311 1.00 0.74 H new ATOM 0 HG11 VAL A 39 -16.012 -6.620 -4.386 1.00 1.15 H new ATOM 0 HG12 VAL A 39 -15.913 -7.864 -3.117 1.00 1.15 H new ATOM 0 HG13 VAL A 39 -16.748 -6.326 -2.793 1.00 1.15 H new ATOM 0 HG21 VAL A 39 -14.682 -4.607 -4.285 1.00 0.64 H new ATOM 0 HG22 VAL A 39 -15.268 -4.141 -2.670 1.00 0.64 H new ATOM 0 HG23 VAL A 39 -13.522 -4.320 -2.966 1.00 0.64 H new ATOM 581 N ASN A 40 -15.227 -5.096 0.570 1.00 0.54 N ATOM 582 CA ASN A 40 -16.251 -4.452 1.368 1.00 0.71 C ATOM 583 C ASN A 40 -16.760 -3.288 0.529 1.00 0.68 C ATOM 584 O ASN A 40 -16.525 -2.119 0.841 1.00 0.63 O ATOM 585 CB ASN A 40 -15.696 -3.953 2.709 1.00 0.86 C ATOM 586 CG ASN A 40 -15.429 -5.069 3.712 1.00 1.37 C ATOM 587 OD1 ASN A 40 -14.743 -6.041 3.419 1.00 2.03 O ATOM 588 ND2 ASN A 40 -15.962 -4.932 4.923 1.00 1.77 N ATOM 0 H ASN A 40 -14.275 -4.836 0.827 1.00 0.54 H new ATOM 0 HA ASN A 40 -17.048 -5.153 1.616 1.00 0.71 H new ATOM 0 HB2 ASN A 40 -14.769 -3.408 2.529 1.00 0.86 H new ATOM 0 HB3 ASN A 40 -16.402 -3.246 3.144 1.00 0.86 H new ATOM 0 HD21 ASN A 40 -15.803 -5.646 5.634 1.00 1.77 H new ATOM 0 HD22 ASN A 40 -16.529 -4.113 5.141 1.00 1.77 H new ATOM 595 N LEU A 41 -17.497 -3.620 -0.532 1.00 0.75 N ATOM 596 CA LEU A 41 -18.189 -2.647 -1.365 1.00 0.75 C ATOM 597 C LEU A 41 -19.152 -1.790 -0.537 1.00 0.74 C ATOM 598 O LEU A 41 -19.476 -0.672 -0.918 1.00 0.79 O ATOM 599 CB LEU A 41 -18.833 -3.331 -2.585 1.00 0.92 C ATOM 600 CG LEU A 41 -19.855 -4.446 -2.326 1.00 1.28 C ATOM 601 CD1 LEU A 41 -21.167 -3.937 -1.713 1.00 1.45 C ATOM 602 CD2 LEU A 41 -20.147 -5.157 -3.653 1.00 1.70 C ATOM 0 H LEU A 41 -17.629 -4.584 -0.837 1.00 0.75 H new ATOM 0 HA LEU A 41 -17.463 -1.944 -1.772 1.00 0.75 H new ATOM 0 HB2 LEU A 41 -19.322 -2.561 -3.181 1.00 0.92 H new ATOM 0 HB3 LEU A 41 -18.032 -3.747 -3.197 1.00 0.92 H new ATOM 0 HG LEU A 41 -19.419 -5.129 -1.597 1.00 1.28 H new ATOM 0 HD11 LEU A 41 -21.845 -4.776 -1.556 1.00 1.45 H new ATOM 0 HD12 LEU A 41 -20.959 -3.454 -0.758 1.00 1.45 H new ATOM 0 HD13 LEU A 41 -21.630 -3.219 -2.389 1.00 1.45 H new ATOM 0 HD21 LEU A 41 -20.872 -5.953 -3.487 1.00 1.70 H new ATOM 0 HD22 LEU A 41 -20.552 -4.441 -4.368 1.00 1.70 H new ATOM 0 HD23 LEU A 41 -19.225 -5.583 -4.048 1.00 1.70 H new ATOM 614 N ALA A 42 -19.554 -2.290 0.635 1.00 0.78 N ATOM 615 CA ALA A 42 -20.386 -1.573 1.581 1.00 0.82 C ATOM 616 C ALA A 42 -19.683 -0.316 2.106 1.00 0.72 C ATOM 617 O ALA A 42 -20.343 0.688 2.353 1.00 0.78 O ATOM 618 CB ALA A 42 -20.770 -2.511 2.730 1.00 0.93 C ATOM 0 H ALA A 42 -19.300 -3.226 0.951 1.00 0.78 H new ATOM 0 HA ALA A 42 -21.291 -1.241 1.072 1.00 0.82 H new ATOM 0 HB1 ALA A 42 -21.396 -1.975 3.444 1.00 0.93 H new ATOM 0 HB2 ALA A 42 -21.320 -3.365 2.334 1.00 0.93 H new ATOM 0 HB3 ALA A 42 -19.867 -2.861 3.231 1.00 0.93 H new ATOM 624 N THR A 43 -18.358 -0.375 2.296 1.00 0.64 N ATOM 625 CA THR A 43 -17.558 0.749 2.785 1.00 0.63 C ATOM 626 C THR A 43 -16.590 1.262 1.709 1.00 0.61 C ATOM 627 O THR A 43 -15.734 2.108 2.000 1.00 0.76 O ATOM 628 CB THR A 43 -16.793 0.292 4.035 1.00 0.68 C ATOM 629 OG1 THR A 43 -15.996 -0.839 3.739 1.00 0.72 O ATOM 630 CG2 THR A 43 -17.767 -0.080 5.157 1.00 0.87 C ATOM 0 H THR A 43 -17.809 -1.214 2.112 1.00 0.64 H new ATOM 0 HA THR A 43 -18.219 1.579 3.035 1.00 0.63 H new ATOM 0 HB THR A 43 -16.159 1.118 4.358 1.00 0.68 H new ATOM 0 HG1 THR A 43 -15.513 -1.119 4.544 1.00 0.72 H new ATOM 0 HG21 THR A 43 -17.206 -0.401 6.034 1.00 0.87 H new ATOM 0 HG22 THR A 43 -18.375 0.787 5.413 1.00 0.87 H new ATOM 0 HG23 THR A 43 -18.414 -0.891 4.823 1.00 0.87 H new ATOM 638 N GLU A 44 -16.701 0.703 0.496 1.00 0.55 N ATOM 639 CA GLU A 44 -15.718 0.814 -0.562 1.00 0.56 C ATOM 640 C GLU A 44 -14.311 0.605 -0.001 1.00 0.68 C ATOM 641 O GLU A 44 -13.529 1.552 0.069 1.00 1.18 O ATOM 642 CB GLU A 44 -15.876 2.139 -1.316 1.00 0.58 C ATOM 643 CG GLU A 44 -17.245 2.239 -2.002 1.00 0.76 C ATOM 644 CD GLU A 44 -17.364 3.548 -2.770 1.00 0.88 C ATOM 645 OE1 GLU A 44 -17.406 4.595 -2.089 1.00 1.34 O ATOM 646 OE2 GLU A 44 -17.387 3.478 -4.017 1.00 1.74 O ATOM 0 H GLU A 44 -17.511 0.144 0.227 1.00 0.55 H new ATOM 0 HA GLU A 44 -15.886 0.025 -1.295 1.00 0.56 H new ATOM 0 HB2 GLU A 44 -15.755 2.970 -0.621 1.00 0.58 H new ATOM 0 HB3 GLU A 44 -15.087 2.230 -2.062 1.00 0.58 H new ATOM 0 HG2 GLU A 44 -17.379 1.398 -2.682 1.00 0.76 H new ATOM 0 HG3 GLU A 44 -18.037 2.175 -1.256 1.00 0.76 H new ATOM 653 N THR A 45 -13.988 -0.634 0.389 1.00 0.45 N ATOM 654 CA THR A 45 -12.635 -1.017 0.735 1.00 0.43 C ATOM 655 C THR A 45 -12.402 -2.402 0.122 1.00 0.34 C ATOM 656 O THR A 45 -13.161 -3.328 0.401 1.00 0.45 O ATOM 657 CB THR A 45 -12.457 -0.998 2.263 1.00 0.65 C ATOM 658 OG1 THR A 45 -12.757 0.274 2.820 1.00 0.78 O ATOM 659 CG2 THR A 45 -11.014 -1.353 2.587 1.00 0.87 C ATOM 0 H THR A 45 -14.666 -1.392 0.470 1.00 0.45 H new ATOM 0 HA THR A 45 -11.895 -0.321 0.341 1.00 0.43 H new ATOM 0 HB THR A 45 -13.149 -1.721 2.695 1.00 0.65 H new ATOM 0 HG1 THR A 45 -11.982 0.602 3.322 1.00 0.78 H new ATOM 0 HG21 THR A 45 -10.871 -1.344 3.668 1.00 0.87 H new ATOM 0 HG22 THR A 45 -10.788 -2.346 2.199 1.00 0.87 H new ATOM 0 HG23 THR A 45 -10.348 -0.623 2.127 1.00 0.87 H new ATOM 667 N VAL A 46 -11.389 -2.539 -0.733 1.00 0.27 N ATOM 668 CA VAL A 46 -10.928 -3.798 -1.295 1.00 0.25 C ATOM 669 C VAL A 46 -9.797 -4.311 -0.398 1.00 0.30 C ATOM 670 O VAL A 46 -8.832 -3.593 -0.138 1.00 0.41 O ATOM 671 CB VAL A 46 -10.511 -3.595 -2.768 1.00 0.26 C ATOM 672 CG1 VAL A 46 -9.534 -2.433 -3.003 1.00 0.36 C ATOM 673 CG2 VAL A 46 -9.891 -4.872 -3.338 1.00 0.29 C ATOM 0 H VAL A 46 -10.848 -1.740 -1.064 1.00 0.27 H new ATOM 0 HA VAL A 46 -11.715 -4.552 -1.316 1.00 0.25 H new ATOM 0 HB VAL A 46 -11.438 -3.343 -3.283 1.00 0.26 H new ATOM 0 HG11 VAL A 46 -9.297 -2.366 -4.065 1.00 0.36 H new ATOM 0 HG12 VAL A 46 -9.992 -1.500 -2.674 1.00 0.36 H new ATOM 0 HG13 VAL A 46 -8.619 -2.607 -2.437 1.00 0.36 H new ATOM 0 HG21 VAL A 46 -9.605 -4.705 -4.377 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -9.008 -5.139 -2.757 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -10.617 -5.683 -3.287 1.00 0.29 H new ATOM 683 N ASN A 47 -9.935 -5.544 0.090 1.00 0.29 N ATOM 684 CA ASN A 47 -9.018 -6.211 0.998 1.00 0.32 C ATOM 685 C ASN A 47 -8.457 -7.427 0.269 1.00 0.36 C ATOM 686 O ASN A 47 -9.215 -8.346 -0.046 1.00 0.47 O ATOM 687 CB ASN A 47 -9.764 -6.705 2.250 1.00 0.49 C ATOM 688 CG ASN A 47 -10.492 -5.610 3.017 1.00 1.44 C ATOM 689 OD1 ASN A 47 -10.077 -4.461 3.022 1.00 2.70 O ATOM 690 ND2 ASN A 47 -11.596 -5.957 3.675 1.00 1.99 N ATOM 0 H ASN A 47 -10.733 -6.130 -0.154 1.00 0.29 H new ATOM 0 HA ASN A 47 -8.233 -5.519 1.302 1.00 0.32 H new ATOM 0 HB2 ASN A 47 -10.486 -7.466 1.952 1.00 0.49 H new ATOM 0 HB3 ASN A 47 -9.050 -7.187 2.918 1.00 0.49 H new ATOM 0 HD21 ASN A 47 -12.118 -5.256 4.201 1.00 1.99 H new ATOM 0 HD22 ASN A 47 -11.920 -6.924 3.654 1.00 1.99 H new ATOM 697 N VAL A 48 -7.154 -7.462 -0.007 1.00 0.34 N ATOM 698 CA VAL A 48 -6.545 -8.592 -0.699 1.00 0.35 C ATOM 699 C VAL A 48 -5.534 -9.236 0.245 1.00 0.38 C ATOM 700 O VAL A 48 -4.764 -8.528 0.897 1.00 0.40 O ATOM 701 CB VAL A 48 -5.942 -8.164 -2.050 1.00 0.35 C ATOM 702 CG1 VAL A 48 -5.767 -9.389 -2.960 1.00 0.38 C ATOM 703 CG2 VAL A 48 -6.856 -7.170 -2.784 1.00 0.35 C ATOM 0 H VAL A 48 -6.501 -6.718 0.239 1.00 0.34 H new ATOM 0 HA VAL A 48 -7.298 -9.338 -0.954 1.00 0.35 H new ATOM 0 HB VAL A 48 -4.982 -7.692 -1.838 1.00 0.35 H new ATOM 0 HG11 VAL A 48 -5.340 -9.076 -3.913 1.00 0.38 H new ATOM 0 HG12 VAL A 48 -5.100 -10.106 -2.481 1.00 0.38 H new ATOM 0 HG13 VAL A 48 -6.737 -9.856 -3.133 1.00 0.38 H new ATOM 0 HG21 VAL A 48 -6.400 -6.889 -3.733 1.00 0.35 H new ATOM 0 HG22 VAL A 48 -7.824 -7.635 -2.970 1.00 0.35 H new ATOM 0 HG23 VAL A 48 -6.993 -6.280 -2.170 1.00 0.35 H new ATOM 713 N ILE A 49 -5.574 -10.569 0.343 1.00 0.42 N ATOM 714 CA ILE A 49 -4.701 -11.359 1.194 1.00 0.46 C ATOM 715 C ILE A 49 -3.911 -12.311 0.300 1.00 0.44 C ATOM 716 O ILE A 49 -4.498 -13.161 -0.375 1.00 0.45 O ATOM 717 CB ILE A 49 -5.501 -12.117 2.268 1.00 0.52 C ATOM 718 CG1 ILE A 49 -6.346 -11.155 3.128 1.00 0.58 C ATOM 719 CG2 ILE A 49 -4.514 -12.892 3.161 1.00 0.64 C ATOM 720 CD1 ILE A 49 -7.777 -10.973 2.608 1.00 1.60 C ATOM 0 H ILE A 49 -6.236 -11.137 -0.186 1.00 0.42 H new ATOM 0 HA ILE A 49 -4.014 -10.707 1.733 1.00 0.46 H new ATOM 0 HB ILE A 49 -6.188 -12.805 1.775 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -6.384 -11.531 4.150 1.00 0.58 H new ATOM 0 HG13 ILE A 49 -5.854 -10.183 3.164 1.00 0.58 H new ATOM 0 HG21 ILE A 49 -5.066 -13.435 3.928 1.00 0.64 H new ATOM 0 HG22 ILE A 49 -3.950 -13.598 2.552 1.00 0.64 H new ATOM 0 HG23 ILE A 49 -3.826 -12.192 3.636 1.00 0.64 H new ATOM 0 HD11 ILE A 49 -8.316 -10.285 3.259 1.00 1.60 H new ATOM 0 HD12 ILE A 49 -7.748 -10.568 1.596 1.00 1.60 H new ATOM 0 HD13 ILE A 49 -8.286 -11.937 2.599 1.00 1.60 H new ATOM 732 N TYR A 50 -2.588 -12.155 0.248 1.00 0.46 N ATOM 733 CA TYR A 50 -1.773 -12.901 -0.700 1.00 0.44 C ATOM 734 C TYR A 50 -0.333 -13.007 -0.227 1.00 0.50 C ATOM 735 O TYR A 50 0.052 -12.362 0.748 1.00 0.54 O ATOM 736 CB TYR A 50 -1.803 -12.196 -2.060 1.00 0.41 C ATOM 737 CG TYR A 50 -1.290 -10.785 -2.028 1.00 0.41 C ATOM 738 CD1 TYR A 50 -2.199 -9.759 -1.740 1.00 1.62 C ATOM 739 CD2 TYR A 50 0.066 -10.494 -2.259 1.00 1.76 C ATOM 740 CE1 TYR A 50 -1.769 -8.435 -1.730 1.00 1.60 C ATOM 741 CE2 TYR A 50 0.515 -9.167 -2.161 1.00 1.79 C ATOM 742 CZ TYR A 50 -0.412 -8.145 -1.908 1.00 0.49 C ATOM 743 OH TYR A 50 0.008 -6.862 -1.767 1.00 0.64 O ATOM 0 H TYR A 50 -2.063 -11.521 0.850 1.00 0.46 H new ATOM 0 HA TYR A 50 -2.184 -13.907 -0.783 1.00 0.44 H new ATOM 0 HB2 TYR A 50 -1.209 -12.772 -2.769 1.00 0.41 H new ATOM 0 HB3 TYR A 50 -2.827 -12.191 -2.433 1.00 0.41 H new ATOM 0 HD1 TYR A 50 -3.231 -9.995 -1.526 1.00 1.62 H new ATOM 0 HD2 TYR A 50 0.757 -11.285 -2.510 1.00 1.76 H new ATOM 0 HE1 TYR A 50 -2.480 -7.635 -1.585 1.00 1.60 H new ATOM 0 HE2 TYR A 50 1.563 -8.936 -2.279 1.00 1.79 H new ATOM 0 HH TYR A 50 -0.679 -6.253 -2.111 1.00 0.64 H new ATOM 753 N ASP A 51 0.467 -13.796 -0.946 1.00 0.54 N ATOM 754 CA ASP A 51 1.815 -14.109 -0.511 1.00 0.59 C ATOM 755 C ASP A 51 2.807 -13.068 -1.037 1.00 0.61 C ATOM 756 O ASP A 51 2.816 -12.801 -2.245 1.00 0.62 O ATOM 757 CB ASP A 51 2.179 -15.514 -0.996 1.00 0.67 C ATOM 758 CG ASP A 51 3.270 -16.083 -0.115 1.00 0.94 C ATOM 759 OD1 ASP A 51 4.424 -15.645 -0.303 1.00 2.07 O ATOM 760 OD2 ASP A 51 2.901 -16.886 0.772 1.00 2.01 O ATOM 0 H ASP A 51 0.198 -14.226 -1.831 1.00 0.54 H new ATOM 0 HA ASP A 51 1.864 -14.084 0.578 1.00 0.59 H new ATOM 0 HB2 ASP A 51 1.301 -16.159 -0.969 1.00 0.67 H new ATOM 0 HB3 ASP A 51 2.515 -15.477 -2.032 1.00 0.67 H new ATOM 765 N PRO A 52 3.658 -12.456 -0.194 1.00 0.67 N ATOM 766 CA PRO A 52 4.551 -11.384 -0.616 1.00 0.71 C ATOM 767 C PRO A 52 5.785 -11.927 -1.353 1.00 0.73 C ATOM 768 O PRO A 52 6.879 -11.386 -1.207 1.00 0.83 O ATOM 769 CB PRO A 52 4.925 -10.666 0.687 1.00 0.82 C ATOM 770 CG PRO A 52 4.944 -11.804 1.709 1.00 0.87 C ATOM 771 CD PRO A 52 3.843 -12.750 1.222 1.00 0.79 C ATOM 0 HA PRO A 52 4.080 -10.710 -1.332 1.00 0.71 H new ATOM 0 HB2 PRO A 52 5.894 -10.173 0.613 1.00 0.82 H new ATOM 0 HB3 PRO A 52 4.196 -9.899 0.949 1.00 0.82 H new ATOM 0 HG2 PRO A 52 5.914 -12.300 1.737 1.00 0.87 H new ATOM 0 HG3 PRO A 52 4.742 -11.440 2.717 1.00 0.87 H new ATOM 0 HD2 PRO A 52 4.129 -13.791 1.370 1.00 0.79 H new ATOM 0 HD3 PRO A 52 2.919 -12.592 1.777 1.00 0.79 H new ATOM 779 N ALA A 53 5.614 -12.977 -2.161 1.00 0.68 N ATOM 780 CA ALA A 53 6.720 -13.649 -2.843 1.00 0.71 C ATOM 781 C ALA A 53 6.278 -14.424 -4.087 1.00 0.71 C ATOM 782 O ALA A 53 7.030 -15.250 -4.598 1.00 0.96 O ATOM 783 CB ALA A 53 7.444 -14.576 -1.862 1.00 0.78 C ATOM 0 H ALA A 53 4.701 -13.385 -2.360 1.00 0.68 H new ATOM 0 HA ALA A 53 7.401 -12.873 -3.193 1.00 0.71 H new ATOM 0 HB1 ALA A 53 8.267 -15.075 -2.373 1.00 0.78 H new ATOM 0 HB2 ALA A 53 7.835 -13.991 -1.030 1.00 0.78 H new ATOM 0 HB3 ALA A 53 6.746 -15.323 -1.484 1.00 0.78 H new ATOM 789 N GLU A 54 5.084 -14.116 -4.596 1.00 0.67 N ATOM 790 CA GLU A 54 4.533 -14.676 -5.816 1.00 0.68 C ATOM 791 C GLU A 54 3.964 -13.576 -6.711 1.00 0.68 C ATOM 792 O GLU A 54 4.092 -13.651 -7.930 1.00 0.77 O ATOM 793 CB GLU A 54 3.414 -15.670 -5.487 1.00 0.69 C ATOM 794 CG GLU A 54 3.918 -16.945 -4.806 1.00 0.70 C ATOM 795 CD GLU A 54 2.866 -18.038 -4.926 1.00 0.78 C ATOM 796 OE1 GLU A 54 2.762 -18.589 -6.044 1.00 1.81 O ATOM 797 OE2 GLU A 54 2.156 -18.267 -3.926 1.00 1.88 O ATOM 0 H GLU A 54 4.458 -13.446 -4.149 1.00 0.67 H new ATOM 0 HA GLU A 54 5.340 -15.187 -6.341 1.00 0.68 H new ATOM 0 HB2 GLU A 54 2.685 -15.184 -4.839 1.00 0.69 H new ATOM 0 HB3 GLU A 54 2.894 -15.939 -6.407 1.00 0.69 H new ATOM 0 HG2 GLU A 54 4.850 -17.271 -5.267 1.00 0.70 H new ATOM 0 HG3 GLU A 54 4.134 -16.748 -3.756 1.00 0.70 H new ATOM 804 N THR A 55 3.253 -12.604 -6.124 1.00 0.64 N ATOM 805 CA THR A 55 2.348 -11.733 -6.844 1.00 0.62 C ATOM 806 C THR A 55 2.831 -10.292 -6.649 1.00 0.67 C ATOM 807 O THR A 55 3.574 -9.789 -7.486 1.00 0.78 O ATOM 808 CB THR A 55 0.945 -12.071 -6.327 1.00 0.52 C ATOM 809 OG1 THR A 55 0.591 -13.376 -6.745 1.00 0.55 O ATOM 810 CG2 THR A 55 -0.115 -11.102 -6.812 1.00 0.55 C ATOM 0 H THR A 55 3.299 -12.408 -5.124 1.00 0.64 H new ATOM 0 HA THR A 55 2.320 -11.866 -7.925 1.00 0.62 H new ATOM 0 HB THR A 55 0.984 -12.000 -5.240 1.00 0.52 H new ATOM 0 HG1 THR A 55 -0.305 -13.594 -6.414 1.00 0.55 H new ATOM 0 HG21 THR A 55 -1.086 -11.395 -6.412 1.00 0.55 H new ATOM 0 HG22 THR A 55 0.129 -10.096 -6.472 1.00 0.55 H new ATOM 0 HG23 THR A 55 -0.151 -11.118 -7.901 1.00 0.55 H new ATOM 818 N GLY A 56 2.474 -9.638 -5.536 1.00 0.64 N ATOM 819 CA GLY A 56 3.065 -8.371 -5.148 1.00 0.70 C ATOM 820 C GLY A 56 2.035 -7.259 -5.273 1.00 0.65 C ATOM 821 O GLY A 56 1.368 -7.135 -6.296 1.00 0.64 O ATOM 0 H GLY A 56 1.767 -9.980 -4.886 1.00 0.64 H new ATOM 0 HA2 GLY A 56 3.428 -8.428 -4.122 1.00 0.70 H new ATOM 0 HA3 GLY A 56 3.926 -8.153 -5.779 1.00 0.70 H new ATOM 825 N THR A 57 1.915 -6.452 -4.218 1.00 0.66 N ATOM 826 CA THR A 57 1.040 -5.279 -4.135 1.00 0.65 C ATOM 827 C THR A 57 0.969 -4.494 -5.454 1.00 0.63 C ATOM 828 O THR A 57 -0.119 -4.163 -5.926 1.00 0.61 O ATOM 829 CB THR A 57 1.437 -4.401 -2.928 1.00 0.72 C ATOM 830 OG1 THR A 57 0.618 -3.260 -2.869 1.00 0.96 O ATOM 831 CG2 THR A 57 2.920 -4.042 -2.865 1.00 0.69 C ATOM 0 H THR A 57 2.447 -6.603 -3.361 1.00 0.66 H new ATOM 0 HA THR A 57 0.022 -5.631 -3.967 1.00 0.65 H new ATOM 0 HB THR A 57 1.270 -5.010 -2.039 1.00 0.72 H new ATOM 0 HG1 THR A 57 1.173 -2.467 -2.715 1.00 0.96 H new ATOM 0 HG21 THR A 57 3.108 -3.425 -1.987 1.00 0.69 H new ATOM 0 HG22 THR A 57 3.513 -4.954 -2.801 1.00 0.69 H new ATOM 0 HG23 THR A 57 3.199 -3.490 -3.763 1.00 0.69 H new ATOM 839 N ALA A 58 2.120 -4.255 -6.086 1.00 0.64 N ATOM 840 CA ALA A 58 2.178 -3.538 -7.353 1.00 0.65 C ATOM 841 C ALA A 58 1.368 -4.261 -8.431 1.00 0.62 C ATOM 842 O ALA A 58 0.609 -3.645 -9.173 1.00 0.60 O ATOM 843 CB ALA A 58 3.636 -3.353 -7.778 1.00 0.71 C ATOM 0 H ALA A 58 3.030 -4.552 -5.734 1.00 0.64 H new ATOM 0 HA ALA A 58 1.730 -2.553 -7.221 1.00 0.65 H new ATOM 0 HB1 ALA A 58 3.673 -2.816 -8.726 1.00 0.71 H new ATOM 0 HB2 ALA A 58 4.167 -2.782 -7.017 1.00 0.71 H new ATOM 0 HB3 ALA A 58 4.108 -4.329 -7.895 1.00 0.71 H new ATOM 849 N ALA A 59 1.486 -5.586 -8.505 1.00 0.62 N ATOM 850 CA ALA A 59 0.691 -6.359 -9.438 1.00 0.61 C ATOM 851 C ALA A 59 -0.785 -6.299 -9.061 1.00 0.59 C ATOM 852 O ALA A 59 -1.631 -6.191 -9.943 1.00 0.63 O ATOM 853 CB ALA A 59 1.159 -7.804 -9.480 1.00 0.63 C ATOM 0 H ALA A 59 2.123 -6.138 -7.930 1.00 0.62 H new ATOM 0 HA ALA A 59 0.819 -5.925 -10.430 1.00 0.61 H new ATOM 0 HB1 ALA A 59 0.547 -8.364 -10.187 1.00 0.63 H new ATOM 0 HB2 ALA A 59 2.202 -7.840 -9.795 1.00 0.63 H new ATOM 0 HB3 ALA A 59 1.064 -8.246 -8.488 1.00 0.63 H new ATOM 859 N ILE A 60 -1.107 -6.378 -7.765 1.00 0.54 N ATOM 860 CA ILE A 60 -2.496 -6.287 -7.320 1.00 0.53 C ATOM 861 C ILE A 60 -3.107 -4.987 -7.851 1.00 0.52 C ATOM 862 O ILE A 60 -4.112 -5.010 -8.566 1.00 0.50 O ATOM 863 CB ILE A 60 -2.623 -6.358 -5.785 1.00 0.58 C ATOM 864 CG1 ILE A 60 -1.861 -7.514 -5.128 1.00 0.73 C ATOM 865 CG2 ILE A 60 -4.087 -6.424 -5.343 1.00 0.52 C ATOM 866 CD1 ILE A 60 -2.301 -8.914 -5.549 1.00 0.62 C ATOM 0 H ILE A 60 -0.429 -6.504 -7.014 1.00 0.54 H new ATOM 0 HA ILE A 60 -3.039 -7.144 -7.718 1.00 0.53 H new ATOM 0 HB ILE A 60 -2.159 -5.433 -5.443 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -0.801 -7.402 -5.354 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -1.967 -7.428 -4.047 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -4.137 -6.473 -4.255 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -4.612 -5.535 -5.691 1.00 0.52 H new ATOM 0 HG23 ILE A 60 -4.556 -7.312 -5.768 1.00 0.52 H new ATOM 0 HD11 ILE A 60 -1.699 -9.657 -5.026 1.00 0.62 H new ATOM 0 HD12 ILE A 60 -3.352 -9.056 -5.297 1.00 0.62 H new ATOM 0 HD13 ILE A 60 -2.167 -9.030 -6.625 1.00 0.62 H new ATOM 878 N GLN A 61 -2.478 -3.852 -7.525 1.00 0.55 N ATOM 879 CA GLN A 61 -2.978 -2.554 -7.953 1.00 0.58 C ATOM 880 C GLN A 61 -2.995 -2.477 -9.482 1.00 0.60 C ATOM 881 O GLN A 61 -3.956 -1.975 -10.065 1.00 0.63 O ATOM 882 CB GLN A 61 -2.234 -1.400 -7.250 1.00 0.64 C ATOM 883 CG GLN A 61 -0.999 -0.880 -7.989 1.00 0.73 C ATOM 884 CD GLN A 61 -0.180 0.072 -7.131 1.00 1.22 C ATOM 885 OE1 GLN A 61 0.821 -0.326 -6.543 1.00 2.19 O ATOM 886 NE2 GLN A 61 -0.578 1.334 -7.055 1.00 1.38 N ATOM 0 H GLN A 61 -1.625 -3.813 -6.968 1.00 0.55 H new ATOM 0 HA GLN A 61 -4.014 -2.435 -7.637 1.00 0.58 H new ATOM 0 HB2 GLN A 61 -2.929 -0.572 -7.109 1.00 0.64 H new ATOM 0 HB3 GLN A 61 -1.931 -1.734 -6.258 1.00 0.64 H new ATOM 0 HG2 GLN A 61 -0.376 -1.722 -8.292 1.00 0.73 H new ATOM 0 HG3 GLN A 61 -1.310 -0.370 -8.901 1.00 0.73 H new ATOM 0 HE21 GLN A 61 -1.414 1.636 -7.555 1.00 1.38 H new ATOM 0 HE22 GLN A 61 -0.048 2.003 -6.497 1.00 1.38 H new ATOM 895 N GLU A 62 -1.972 -3.036 -10.145 1.00 0.61 N ATOM 896 CA GLU A 62 -1.965 -3.082 -11.597 1.00 0.65 C ATOM 897 C GLU A 62 -3.175 -3.873 -12.101 1.00 0.58 C ATOM 898 O GLU A 62 -3.762 -3.510 -13.120 1.00 0.57 O ATOM 899 CB GLU A 62 -0.634 -3.657 -12.098 1.00 0.78 C ATOM 900 CG GLU A 62 -0.646 -3.908 -13.609 1.00 0.78 C ATOM 901 CD GLU A 62 0.677 -4.443 -14.131 1.00 1.30 C ATOM 902 OE1 GLU A 62 1.730 -3.953 -13.680 1.00 2.53 O ATOM 903 OE2 GLU A 62 0.595 -5.333 -15.008 1.00 1.75 O ATOM 0 H GLU A 62 -1.155 -3.454 -9.699 1.00 0.61 H new ATOM 0 HA GLU A 62 -2.050 -2.073 -12.000 1.00 0.65 H new ATOM 0 HB2 GLU A 62 0.174 -2.967 -11.852 1.00 0.78 H new ATOM 0 HB3 GLU A 62 -0.425 -4.592 -11.578 1.00 0.78 H new ATOM 0 HG2 GLU A 62 -1.438 -4.617 -13.848 1.00 0.78 H new ATOM 0 HG3 GLU A 62 -0.885 -2.978 -14.125 1.00 0.78 H new ATOM 910 N LYS A 63 -3.565 -4.956 -11.418 1.00 0.56 N ATOM 911 CA LYS A 63 -4.658 -5.782 -11.862 1.00 0.54 C ATOM 912 C LYS A 63 -5.943 -4.975 -11.761 1.00 0.47 C ATOM 913 O LYS A 63 -6.717 -4.946 -12.714 1.00 0.48 O ATOM 914 CB LYS A 63 -4.720 -7.069 -11.033 1.00 0.59 C ATOM 915 CG LYS A 63 -5.013 -8.272 -11.929 1.00 0.75 C ATOM 916 CD LYS A 63 -3.754 -8.690 -12.708 1.00 1.52 C ATOM 917 CE LYS A 63 -3.894 -8.590 -14.233 1.00 1.25 C ATOM 918 NZ LYS A 63 -4.901 -9.529 -14.765 1.00 2.43 N ATOM 0 H LYS A 63 -3.127 -5.269 -10.552 1.00 0.56 H new ATOM 0 HA LYS A 63 -4.515 -6.082 -12.900 1.00 0.54 H new ATOM 0 HB2 LYS A 63 -3.774 -7.218 -10.512 1.00 0.59 H new ATOM 0 HB3 LYS A 63 -5.493 -6.980 -10.270 1.00 0.59 H new ATOM 0 HG2 LYS A 63 -5.365 -9.106 -11.322 1.00 0.75 H new ATOM 0 HG3 LYS A 63 -5.813 -8.026 -12.627 1.00 0.75 H new ATOM 0 HD2 LYS A 63 -2.920 -8.065 -12.390 1.00 1.52 H new ATOM 0 HD3 LYS A 63 -3.502 -9.717 -12.444 1.00 1.52 H new ATOM 0 HE2 LYS A 63 -4.171 -7.571 -14.504 1.00 1.25 H new ATOM 0 HE3 LYS A 63 -2.929 -8.793 -14.698 1.00 1.25 H new ATOM 0 HZ1 LYS A 63 -4.936 -9.450 -15.801 1.00 2.43 H new ATOM 0 HZ2 LYS A 63 -4.643 -10.501 -14.501 1.00 2.43 H new ATOM 0 HZ3 LYS A 63 -5.834 -9.299 -14.368 1.00 2.43 H new ATOM 932 N ILE A 64 -6.150 -4.311 -10.621 1.00 0.43 N ATOM 933 CA ILE A 64 -7.274 -3.406 -10.434 1.00 0.39 C ATOM 934 C ILE A 64 -7.349 -2.438 -11.620 1.00 0.40 C ATOM 935 O ILE A 64 -8.384 -2.355 -12.282 1.00 0.43 O ATOM 936 CB ILE A 64 -7.159 -2.693 -9.072 1.00 0.37 C ATOM 937 CG1 ILE A 64 -7.306 -3.725 -7.935 1.00 0.40 C ATOM 938 CG2 ILE A 64 -8.226 -1.604 -8.945 1.00 0.39 C ATOM 939 CD1 ILE A 64 -7.050 -3.132 -6.547 1.00 0.56 C ATOM 0 H ILE A 64 -5.541 -4.389 -9.806 1.00 0.43 H new ATOM 0 HA ILE A 64 -8.212 -3.961 -10.412 1.00 0.39 H new ATOM 0 HB ILE A 64 -6.180 -2.219 -9.000 1.00 0.37 H new ATOM 0 HG12 ILE A 64 -8.311 -4.147 -7.963 1.00 0.40 H new ATOM 0 HG13 ILE A 64 -6.610 -4.547 -8.106 1.00 0.40 H new ATOM 0 HG21 ILE A 64 -8.130 -1.111 -7.977 1.00 0.39 H new ATOM 0 HG22 ILE A 64 -8.094 -0.871 -9.740 1.00 0.39 H new ATOM 0 HG23 ILE A 64 -9.216 -2.053 -9.027 1.00 0.39 H new ATOM 0 HD11 ILE A 64 -7.169 -3.909 -5.792 1.00 0.56 H new ATOM 0 HD12 ILE A 64 -6.036 -2.735 -6.502 1.00 0.56 H new ATOM 0 HD13 ILE A 64 -7.763 -2.329 -6.357 1.00 0.56 H new ATOM 951 N GLU A 65 -6.252 -1.744 -11.928 1.00 0.44 N ATOM 952 CA GLU A 65 -6.264 -0.805 -13.044 1.00 0.47 C ATOM 953 C GLU A 65 -6.595 -1.503 -14.368 1.00 0.50 C ATOM 954 O GLU A 65 -7.490 -1.068 -15.089 1.00 0.54 O ATOM 955 CB GLU A 65 -4.958 -0.011 -13.096 1.00 0.57 C ATOM 956 CG GLU A 65 -4.822 0.854 -11.830 1.00 0.64 C ATOM 957 CD GLU A 65 -4.516 2.306 -12.167 1.00 1.67 C ATOM 958 OE1 GLU A 65 -5.348 2.900 -12.887 1.00 3.14 O ATOM 959 OE2 GLU A 65 -3.480 2.804 -11.683 1.00 1.66 O ATOM 0 H GLU A 65 -5.364 -1.813 -11.431 1.00 0.44 H new ATOM 0 HA GLU A 65 -7.066 -0.085 -12.879 1.00 0.47 H new ATOM 0 HB2 GLU A 65 -4.111 -0.692 -13.175 1.00 0.57 H new ATOM 0 HB3 GLU A 65 -4.942 0.622 -13.983 1.00 0.57 H new ATOM 0 HG2 GLU A 65 -5.745 0.802 -11.253 1.00 0.64 H new ATOM 0 HG3 GLU A 65 -4.029 0.453 -11.199 1.00 0.64 H new ATOM 966 N LYS A 66 -5.924 -2.617 -14.672 1.00 0.52 N ATOM 967 CA LYS A 66 -6.203 -3.423 -15.858 1.00 0.59 C ATOM 968 C LYS A 66 -7.659 -3.896 -15.918 1.00 0.60 C ATOM 969 O LYS A 66 -8.190 -4.073 -17.011 1.00 0.71 O ATOM 970 CB LYS A 66 -5.226 -4.597 -15.956 1.00 0.66 C ATOM 971 CG LYS A 66 -3.955 -4.145 -16.686 1.00 0.79 C ATOM 972 CD LYS A 66 -2.889 -5.238 -16.611 1.00 1.30 C ATOM 973 CE LYS A 66 -1.758 -4.980 -17.620 1.00 1.62 C ATOM 974 NZ LYS A 66 -0.544 -5.768 -17.320 1.00 2.67 N ATOM 0 H LYS A 66 -5.167 -2.986 -14.096 1.00 0.52 H new ATOM 0 HA LYS A 66 -6.055 -2.781 -16.726 1.00 0.59 H new ATOM 0 HB2 LYS A 66 -4.976 -4.960 -14.959 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -5.690 -5.426 -16.490 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -4.185 -3.921 -17.728 1.00 0.79 H new ATOM 0 HG3 LYS A 66 -3.577 -3.226 -16.239 1.00 0.79 H new ATOM 0 HD2 LYS A 66 -2.478 -5.280 -15.602 1.00 1.30 H new ATOM 0 HD3 LYS A 66 -3.344 -6.208 -16.811 1.00 1.30 H new ATOM 0 HE2 LYS A 66 -2.107 -5.224 -18.623 1.00 1.62 H new ATOM 0 HE3 LYS A 66 -1.509 -3.919 -17.618 1.00 1.62 H new ATOM 0 HZ1 LYS A 66 0.260 -5.384 -17.856 1.00 2.67 H new ATOM 0 HZ2 LYS A 66 -0.339 -5.715 -16.302 1.00 2.67 H new ATOM 0 HZ3 LYS A 66 -0.698 -6.760 -17.591 1.00 2.67 H new ATOM 988 N LEU A 67 -8.317 -4.106 -14.773 1.00 0.54 N ATOM 989 CA LEU A 67 -9.727 -4.459 -14.746 1.00 0.56 C ATOM 990 C LEU A 67 -10.626 -3.280 -15.148 1.00 0.58 C ATOM 991 O LEU A 67 -11.801 -3.493 -15.438 1.00 0.67 O ATOM 992 CB LEU A 67 -10.083 -5.079 -13.386 1.00 0.53 C ATOM 993 CG LEU A 67 -10.055 -6.618 -13.423 1.00 0.61 C ATOM 994 CD1 LEU A 67 -9.236 -7.146 -12.251 1.00 1.73 C ATOM 995 CD2 LEU A 67 -11.481 -7.176 -13.368 1.00 1.99 C ATOM 0 H LEU A 67 -7.886 -4.035 -13.851 1.00 0.54 H new ATOM 0 HA LEU A 67 -9.919 -5.219 -15.504 1.00 0.56 H new ATOM 0 HB2 LEU A 67 -9.382 -4.723 -12.631 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -11.075 -4.743 -13.084 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.592 -6.943 -14.355 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -9.219 -8.235 -12.281 1.00 1.73 H new ATOM 0 HD12 LEU A 67 -8.217 -6.765 -12.318 1.00 1.73 H new ATOM 0 HD13 LEU A 67 -9.686 -6.816 -11.315 1.00 1.73 H new ATOM 0 HD21 LEU A 67 -11.447 -8.265 -13.395 1.00 1.99 H new ATOM 0 HD22 LEU A 67 -11.964 -6.851 -12.446 1.00 1.99 H new ATOM 0 HD23 LEU A 67 -12.048 -6.810 -14.224 1.00 1.99 H new ATOM 1007 N GLY A 68 -10.088 -2.055 -15.190 1.00 0.55 N ATOM 1008 CA GLY A 68 -10.798 -0.851 -15.606 1.00 0.59 C ATOM 1009 C GLY A 68 -11.287 -0.054 -14.399 1.00 0.51 C ATOM 1010 O GLY A 68 -12.419 0.426 -14.389 1.00 0.62 O ATOM 0 H GLY A 68 -9.119 -1.875 -14.927 1.00 0.55 H new ATOM 0 HA2 GLY A 68 -10.140 -0.229 -16.213 1.00 0.59 H new ATOM 0 HA3 GLY A 68 -11.647 -1.124 -16.233 1.00 0.59 H new ATOM 1014 N TYR A 69 -10.433 0.073 -13.380 1.00 0.42 N ATOM 1015 CA TYR A 69 -10.724 0.763 -12.122 1.00 0.39 C ATOM 1016 C TYR A 69 -9.609 1.756 -11.806 1.00 0.40 C ATOM 1017 O TYR A 69 -8.637 1.834 -12.550 1.00 0.51 O ATOM 1018 CB TYR A 69 -10.860 -0.273 -11.005 1.00 0.45 C ATOM 1019 CG TYR A 69 -12.027 -1.209 -11.204 1.00 0.55 C ATOM 1020 CD1 TYR A 69 -11.905 -2.269 -12.116 1.00 1.92 C ATOM 1021 CD2 TYR A 69 -13.249 -0.991 -10.542 1.00 1.80 C ATOM 1022 CE1 TYR A 69 -13.026 -3.041 -12.447 1.00 1.94 C ATOM 1023 CE2 TYR A 69 -14.335 -1.844 -10.791 1.00 1.93 C ATOM 1024 CZ TYR A 69 -14.225 -2.852 -11.759 1.00 0.99 C ATOM 1025 OH TYR A 69 -15.241 -3.722 -11.976 1.00 1.32 O ATOM 0 H TYR A 69 -9.490 -0.314 -13.410 1.00 0.42 H new ATOM 0 HA TYR A 69 -11.659 1.317 -12.209 1.00 0.39 H new ATOM 0 HB2 TYR A 69 -9.941 -0.856 -10.944 1.00 0.45 H new ATOM 0 HB3 TYR A 69 -10.974 0.243 -10.051 1.00 0.45 H new ATOM 0 HD1 TYR A 69 -10.947 -2.489 -12.563 1.00 1.92 H new ATOM 0 HD2 TYR A 69 -13.351 -0.172 -9.846 1.00 1.80 H new ATOM 0 HE1 TYR A 69 -12.962 -3.780 -13.232 1.00 1.94 H new ATOM 0 HE2 TYR A 69 -15.255 -1.724 -10.237 1.00 1.93 H new ATOM 0 HH TYR A 69 -16.039 -3.229 -12.259 1.00 1.32 H new ATOM 1035 N HIS A 70 -9.742 2.520 -10.713 1.00 0.38 N ATOM 1036 CA HIS A 70 -8.692 3.444 -10.293 1.00 0.46 C ATOM 1037 C HIS A 70 -8.597 3.497 -8.768 1.00 0.56 C ATOM 1038 O HIS A 70 -9.613 3.652 -8.087 1.00 0.78 O ATOM 1039 CB HIS A 70 -8.947 4.834 -10.898 1.00 0.59 C ATOM 1040 CG HIS A 70 -7.694 5.545 -11.353 1.00 0.76 C ATOM 1041 ND1 HIS A 70 -6.694 5.025 -12.151 1.00 1.65 N ATOM 1042 CD2 HIS A 70 -7.394 6.865 -11.138 1.00 2.05 C ATOM 1043 CE1 HIS A 70 -5.816 6.009 -12.397 1.00 1.77 C ATOM 1044 NE2 HIS A 70 -6.202 7.153 -11.806 1.00 2.15 N ATOM 0 H HIS A 70 -10.564 2.513 -10.109 1.00 0.38 H new ATOM 0 HA HIS A 70 -7.731 3.086 -10.662 1.00 0.46 H new ATOM 0 HB2 HIS A 70 -9.623 4.731 -11.747 1.00 0.59 H new ATOM 0 HB3 HIS A 70 -9.456 5.453 -10.159 1.00 0.59 H new ATOM 0 HD1 HIS A 70 -6.634 4.066 -12.492 1.00 1.65 H new ATOM 0 HD2 HIS A 70 -7.978 7.561 -10.554 1.00 2.05 H new ATOM 0 HE1 HIS A 70 -4.920 5.897 -12.990 1.00 1.77 H new ATOM 1052 N VAL A 71 -7.383 3.345 -8.235 1.00 0.53 N ATOM 1053 CA VAL A 71 -7.116 3.256 -6.807 1.00 0.56 C ATOM 1054 C VAL A 71 -7.004 4.657 -6.203 1.00 0.58 C ATOM 1055 O VAL A 71 -6.277 5.504 -6.719 1.00 0.62 O ATOM 1056 CB VAL A 71 -5.862 2.394 -6.563 1.00 0.62 C ATOM 1057 CG1 VAL A 71 -6.057 0.988 -7.147 1.00 0.77 C ATOM 1058 CG2 VAL A 71 -4.563 2.993 -7.131 1.00 0.62 C ATOM 0 H VAL A 71 -6.539 3.279 -8.804 1.00 0.53 H new ATOM 0 HA VAL A 71 -7.946 2.763 -6.302 1.00 0.56 H new ATOM 0 HB VAL A 71 -5.747 2.355 -5.480 1.00 0.62 H new ATOM 0 HG11 VAL A 71 -5.163 0.392 -6.966 1.00 0.77 H new ATOM 0 HG12 VAL A 71 -6.913 0.511 -6.670 1.00 0.77 H new ATOM 0 HG13 VAL A 71 -6.234 1.061 -8.220 1.00 0.77 H new ATOM 0 HG21 VAL A 71 -3.730 2.324 -6.916 1.00 0.62 H new ATOM 0 HG22 VAL A 71 -4.660 3.116 -8.210 1.00 0.62 H new ATOM 0 HG23 VAL A 71 -4.378 3.963 -6.670 1.00 0.62 H new ATOM 1068 N VAL A 72 -7.701 4.917 -5.094 1.00 0.62 N ATOM 1069 CA VAL A 72 -7.695 6.232 -4.462 1.00 0.68 C ATOM 1070 C VAL A 72 -6.474 6.311 -3.546 1.00 0.61 C ATOM 1071 O VAL A 72 -6.596 6.375 -2.325 1.00 0.83 O ATOM 1072 CB VAL A 72 -9.038 6.478 -3.753 1.00 0.87 C ATOM 1073 CG1 VAL A 72 -9.122 7.887 -3.142 1.00 0.98 C ATOM 1074 CG2 VAL A 72 -10.176 6.339 -4.771 1.00 1.07 C ATOM 0 H VAL A 72 -8.279 4.227 -4.615 1.00 0.62 H new ATOM 0 HA VAL A 72 -7.604 7.036 -5.193 1.00 0.68 H new ATOM 0 HB VAL A 72 -9.122 5.744 -2.951 1.00 0.87 H new ATOM 0 HG11 VAL A 72 -10.088 8.014 -2.652 1.00 0.98 H new ATOM 0 HG12 VAL A 72 -8.324 8.014 -2.410 1.00 0.98 H new ATOM 0 HG13 VAL A 72 -9.014 8.632 -3.930 1.00 0.98 H new ATOM 0 HG21 VAL A 72 -11.131 6.512 -4.275 1.00 1.07 H new ATOM 0 HG22 VAL A 72 -10.043 7.071 -5.568 1.00 1.07 H new ATOM 0 HG23 VAL A 72 -10.164 5.335 -5.195 1.00 1.07 H new ATOM 1084 N THR A 73 -5.287 6.280 -4.154 1.00 0.54 N ATOM 1085 CA THR A 73 -4.017 6.193 -3.451 1.00 0.53 C ATOM 1086 C THR A 73 -3.059 7.213 -4.065 1.00 0.61 C ATOM 1087 O THR A 73 -3.078 7.383 -5.283 1.00 0.70 O ATOM 1088 CB THR A 73 -3.460 4.760 -3.566 1.00 0.54 C ATOM 1089 OG1 THR A 73 -4.479 3.804 -3.771 1.00 0.61 O ATOM 1090 CG2 THR A 73 -2.776 4.377 -2.261 1.00 0.78 C ATOM 0 H THR A 73 -5.185 6.316 -5.168 1.00 0.54 H new ATOM 0 HA THR A 73 -4.144 6.416 -2.392 1.00 0.53 H new ATOM 0 HB THR A 73 -2.776 4.759 -4.415 1.00 0.54 H new ATOM 0 HG1 THR A 73 -4.081 2.911 -3.840 1.00 0.61 H new ATOM 0 HG21 THR A 73 -2.382 3.364 -2.341 1.00 0.78 H new ATOM 0 HG22 THR A 73 -1.959 5.070 -2.062 1.00 0.78 H new ATOM 0 HG23 THR A 73 -3.497 4.422 -1.445 1.00 0.78 H new ATOM 1098 N GLU A 74 -2.248 7.896 -3.250 1.00 0.66 N ATOM 1099 CA GLU A 74 -1.378 8.973 -3.707 1.00 0.77 C ATOM 1100 C GLU A 74 0.064 8.738 -3.257 1.00 0.63 C ATOM 1101 O GLU A 74 0.295 8.269 -2.143 1.00 0.55 O ATOM 1102 CB GLU A 74 -1.917 10.322 -3.213 1.00 0.96 C ATOM 1103 CG GLU A 74 -2.053 10.414 -1.688 1.00 2.18 C ATOM 1104 CD GLU A 74 -2.640 11.761 -1.297 1.00 3.03 C ATOM 1105 OE1 GLU A 74 -3.869 11.908 -1.466 1.00 3.45 O ATOM 1106 OE2 GLU A 74 -1.845 12.622 -0.871 1.00 3.92 O ATOM 0 H GLU A 74 -2.180 7.712 -2.249 1.00 0.66 H new ATOM 0 HA GLU A 74 -1.372 8.989 -4.797 1.00 0.77 H new ATOM 0 HB2 GLU A 74 -1.254 11.116 -3.558 1.00 0.96 H new ATOM 0 HB3 GLU A 74 -2.892 10.501 -3.667 1.00 0.96 H new ATOM 0 HG2 GLU A 74 -2.692 9.610 -1.323 1.00 2.18 H new ATOM 0 HG3 GLU A 74 -1.078 10.284 -1.219 1.00 2.18 H new ATOM 1113 N LYS A 75 1.021 9.084 -4.126 1.00 0.69 N ATOM 1114 CA LYS A 75 2.451 9.015 -3.853 1.00 0.66 C ATOM 1115 C LYS A 75 2.872 10.266 -3.081 1.00 0.61 C ATOM 1116 O LYS A 75 3.306 11.250 -3.677 1.00 0.74 O ATOM 1117 CB LYS A 75 3.259 8.847 -5.153 1.00 0.84 C ATOM 1118 CG LYS A 75 2.857 9.824 -6.267 1.00 0.88 C ATOM 1119 CD LYS A 75 4.069 10.364 -7.043 1.00 1.71 C ATOM 1120 CE LYS A 75 4.844 11.387 -6.192 1.00 3.48 C ATOM 1121 NZ LYS A 75 5.978 11.998 -6.904 1.00 4.26 N ATOM 0 H LYS A 75 0.810 9.428 -5.063 1.00 0.69 H new ATOM 0 HA LYS A 75 2.661 8.137 -3.242 1.00 0.66 H new ATOM 0 HB2 LYS A 75 4.318 8.981 -4.931 1.00 0.84 H new ATOM 0 HB3 LYS A 75 3.136 7.827 -5.516 1.00 0.84 H new ATOM 0 HG2 LYS A 75 2.181 9.322 -6.959 1.00 0.88 H new ATOM 0 HG3 LYS A 75 2.307 10.659 -5.833 1.00 0.88 H new ATOM 0 HD2 LYS A 75 4.727 9.540 -7.320 1.00 1.71 H new ATOM 0 HD3 LYS A 75 3.736 10.831 -7.970 1.00 1.71 H new ATOM 0 HE2 LYS A 75 4.161 12.173 -5.870 1.00 3.48 H new ATOM 0 HE3 LYS A 75 5.212 10.895 -5.291 1.00 3.48 H new ATOM 0 HZ1 LYS A 75 6.517 12.598 -6.248 1.00 4.26 H new ATOM 0 HZ2 LYS A 75 6.597 11.250 -7.278 1.00 4.26 H new ATOM 0 HZ3 LYS A 75 5.622 12.578 -7.691 1.00 4.26 H new ATOM 1135 N ALA A 76 2.747 10.239 -1.756 1.00 0.51 N ATOM 1136 CA ALA A 76 3.179 11.368 -0.931 1.00 0.51 C ATOM 1137 C ALA A 76 4.667 11.214 -0.604 1.00 0.52 C ATOM 1138 O ALA A 76 5.155 10.089 -0.546 1.00 0.62 O ATOM 1139 CB ALA A 76 2.303 11.456 0.317 1.00 0.49 C ATOM 0 H ALA A 76 2.354 9.456 -1.233 1.00 0.51 H new ATOM 0 HA ALA A 76 3.060 12.308 -1.470 1.00 0.51 H new ATOM 0 HB1 ALA A 76 2.626 12.297 0.930 1.00 0.49 H new ATOM 0 HB2 ALA A 76 1.263 11.600 0.022 1.00 0.49 H new ATOM 0 HB3 ALA A 76 2.393 10.533 0.891 1.00 0.49 H new ATOM 1145 N GLU A 77 5.403 12.317 -0.414 1.00 0.55 N ATOM 1146 CA GLU A 77 6.852 12.296 -0.223 1.00 0.54 C ATOM 1147 C GLU A 77 7.237 12.873 1.145 1.00 0.49 C ATOM 1148 O GLU A 77 7.043 14.062 1.412 1.00 0.65 O ATOM 1149 CB GLU A 77 7.552 13.028 -1.380 1.00 0.69 C ATOM 1150 CG GLU A 77 7.324 12.304 -2.718 1.00 0.97 C ATOM 1151 CD GLU A 77 8.056 12.969 -3.875 1.00 1.59 C ATOM 1152 OE1 GLU A 77 9.133 13.548 -3.630 1.00 1.95 O ATOM 1153 OE2 GLU A 77 7.521 12.879 -5.005 1.00 2.72 O ATOM 0 H GLU A 77 5.002 13.255 -0.389 1.00 0.55 H new ATOM 0 HA GLU A 77 7.193 11.261 -0.234 1.00 0.54 H new ATOM 0 HB2 GLU A 77 7.176 14.049 -1.448 1.00 0.69 H new ATOM 0 HB3 GLU A 77 8.621 13.095 -1.177 1.00 0.69 H new ATOM 0 HG2 GLU A 77 7.657 11.270 -2.629 1.00 0.97 H new ATOM 0 HG3 GLU A 77 6.256 12.278 -2.935 1.00 0.97 H new ATOM 1160 N PHE A 78 7.799 12.018 2.003 1.00 0.43 N ATOM 1161 CA PHE A 78 8.241 12.355 3.344 1.00 0.40 C ATOM 1162 C PHE A 78 9.770 12.406 3.360 1.00 0.38 C ATOM 1163 O PHE A 78 10.438 11.746 2.563 1.00 0.47 O ATOM 1164 CB PHE A 78 7.692 11.337 4.360 1.00 0.48 C ATOM 1165 CG PHE A 78 6.195 11.443 4.617 1.00 0.44 C ATOM 1166 CD1 PHE A 78 5.290 11.139 3.585 1.00 1.49 C ATOM 1167 CD2 PHE A 78 5.699 11.926 5.847 1.00 1.72 C ATOM 1168 CE1 PHE A 78 3.933 11.462 3.722 1.00 1.55 C ATOM 1169 CE2 PHE A 78 4.333 12.218 5.993 1.00 1.75 C ATOM 1170 CZ PHE A 78 3.466 12.046 4.905 1.00 0.74 C ATOM 0 H PHE A 78 7.961 11.039 1.767 1.00 0.43 H new ATOM 0 HA PHE A 78 7.856 13.333 3.632 1.00 0.40 H new ATOM 0 HB2 PHE A 78 7.916 10.331 4.004 1.00 0.48 H new ATOM 0 HB3 PHE A 78 8.220 11.466 5.305 1.00 0.48 H new ATOM 0 HD1 PHE A 78 5.641 10.656 2.685 1.00 1.49 H new ATOM 0 HD2 PHE A 78 6.372 12.072 6.679 1.00 1.72 H new ATOM 0 HE1 PHE A 78 3.246 11.260 2.913 1.00 1.55 H new ATOM 0 HE2 PHE A 78 3.952 12.573 6.939 1.00 1.75 H new ATOM 0 HZ PHE A 78 2.437 12.364 4.980 1.00 0.74 H new ATOM 1180 N ASP A 79 10.317 13.222 4.257 1.00 0.40 N ATOM 1181 CA ASP A 79 11.741 13.466 4.463 1.00 0.40 C ATOM 1182 C ASP A 79 12.147 12.788 5.773 1.00 0.45 C ATOM 1183 O ASP A 79 11.361 12.799 6.717 1.00 0.65 O ATOM 1184 CB ASP A 79 11.935 14.983 4.481 1.00 0.45 C ATOM 1185 CG ASP A 79 13.305 15.423 4.953 1.00 0.62 C ATOM 1186 OD1 ASP A 79 13.530 15.336 6.178 1.00 1.49 O ATOM 1187 OD2 ASP A 79 14.058 15.898 4.078 1.00 1.50 O ATOM 0 H ASP A 79 9.740 13.765 4.900 1.00 0.40 H new ATOM 0 HA ASP A 79 12.373 13.053 3.676 1.00 0.40 H new ATOM 0 HB2 ASP A 79 11.765 15.373 3.477 1.00 0.45 H new ATOM 0 HB3 ASP A 79 11.179 15.428 5.128 1.00 0.45 H new ATOM 1192 N ILE A 80 13.290 12.101 5.820 1.00 0.40 N ATOM 1193 CA ILE A 80 13.626 11.215 6.931 1.00 0.40 C ATOM 1194 C ILE A 80 14.763 11.817 7.738 1.00 0.45 C ATOM 1195 O ILE A 80 15.860 11.971 7.208 1.00 0.60 O ATOM 1196 CB ILE A 80 14.034 9.840 6.390 1.00 0.43 C ATOM 1197 CG1 ILE A 80 13.143 9.496 5.195 1.00 0.40 C ATOM 1198 CG2 ILE A 80 13.936 8.792 7.509 1.00 0.51 C ATOM 1199 CD1 ILE A 80 13.413 8.093 4.707 1.00 0.52 C ATOM 0 H ILE A 80 14.004 12.144 5.092 1.00 0.40 H new ATOM 0 HA ILE A 80 12.756 11.097 7.577 1.00 0.40 H new ATOM 0 HB ILE A 80 15.069 9.851 6.049 1.00 0.43 H new ATOM 0 HG12 ILE A 80 12.095 9.591 5.479 1.00 0.40 H new ATOM 0 HG13 ILE A 80 13.320 10.206 4.388 1.00 0.40 H new ATOM 0 HG21 ILE A 80 14.227 7.816 7.120 1.00 0.51 H new ATOM 0 HG22 ILE A 80 14.601 9.070 8.327 1.00 0.51 H new ATOM 0 HG23 ILE A 80 12.910 8.746 7.875 1.00 0.51 H new ATOM 0 HD11 ILE A 80 12.767 7.873 3.857 1.00 0.52 H new ATOM 0 HD12 ILE A 80 14.456 8.008 4.402 1.00 0.52 H new ATOM 0 HD13 ILE A 80 13.211 7.384 5.510 1.00 0.52 H new ATOM 1211 N GLU A 81 14.548 12.096 9.029 1.00 0.49 N ATOM 1212 CA GLU A 81 15.561 12.776 9.825 1.00 0.67 C ATOM 1213 C GLU A 81 16.056 11.766 10.854 1.00 0.83 C ATOM 1214 O GLU A 81 15.909 11.917 12.064 1.00 1.35 O ATOM 1215 CB GLU A 81 14.950 14.077 10.351 1.00 0.87 C ATOM 1216 CG GLU A 81 15.978 15.069 10.920 1.00 1.50 C ATOM 1217 CD GLU A 81 15.360 16.358 11.479 1.00 1.55 C ATOM 1218 OE1 GLU A 81 14.828 17.173 10.693 1.00 2.01 O ATOM 1219 OE2 GLU A 81 15.388 16.501 12.724 1.00 2.38 O ATOM 0 H GLU A 81 13.693 11.863 9.534 1.00 0.49 H new ATOM 0 HA GLU A 81 16.449 13.098 9.281 1.00 0.67 H new ATOM 0 HB2 GLU A 81 14.403 14.562 9.542 1.00 0.87 H new ATOM 0 HB3 GLU A 81 14.224 13.837 11.128 1.00 0.87 H new ATOM 0 HG2 GLU A 81 16.543 14.577 11.711 1.00 1.50 H new ATOM 0 HG3 GLU A 81 16.689 15.330 10.136 1.00 1.50 H new ATOM 1226 N GLY A 82 16.591 10.680 10.305 1.00 0.86 N ATOM 1227 CA GLY A 82 17.016 9.496 11.037 1.00 1.04 C ATOM 1228 C GLY A 82 18.093 8.713 10.290 1.00 0.96 C ATOM 1229 O GLY A 82 19.185 8.513 10.818 1.00 1.39 O ATOM 0 H GLY A 82 16.745 10.599 9.300 1.00 0.86 H new ATOM 0 HA2 GLY A 82 17.396 9.792 12.015 1.00 1.04 H new ATOM 0 HA3 GLY A 82 16.155 8.851 11.212 1.00 1.04 H new ATOM 1233 N MET A 83 17.798 8.228 9.077 1.00 0.80 N ATOM 1234 CA MET A 83 18.797 7.536 8.284 1.00 0.85 C ATOM 1235 C MET A 83 19.994 8.447 8.015 1.00 1.32 C ATOM 1236 O MET A 83 19.829 9.579 7.578 1.00 2.15 O ATOM 1237 CB MET A 83 18.172 6.954 7.002 1.00 1.05 C ATOM 1238 CG MET A 83 17.613 7.985 6.008 1.00 1.32 C ATOM 1239 SD MET A 83 18.170 7.823 4.290 1.00 2.25 S ATOM 1240 CE MET A 83 19.950 8.092 4.455 1.00 3.00 C ATOM 0 H MET A 83 16.882 8.306 8.635 1.00 0.80 H new ATOM 0 HA MET A 83 19.177 6.685 8.849 1.00 0.85 H new ATOM 0 HB2 MET A 83 18.926 6.355 6.491 1.00 1.05 H new ATOM 0 HB3 MET A 83 17.367 6.277 7.287 1.00 1.05 H new ATOM 0 HG2 MET A 83 16.525 7.921 6.023 1.00 1.32 H new ATOM 0 HG3 MET A 83 17.878 8.981 6.362 1.00 1.32 H new ATOM 0 HE1 MET A 83 20.375 8.321 3.478 1.00 3.00 H new ATOM 0 HE2 MET A 83 20.131 8.925 5.134 1.00 3.00 H new ATOM 0 HE3 MET A 83 20.419 7.192 4.853 1.00 3.00 H new ATOM 1285 N ALA A 87 21.159 1.903 5.744 1.00 1.94 N ATOM 1286 CA ALA A 87 20.375 0.816 6.322 1.00 0.92 C ATOM 1287 C ALA A 87 19.037 1.278 6.901 1.00 0.79 C ATOM 1288 O ALA A 87 18.026 0.603 6.710 1.00 0.82 O ATOM 1289 CB ALA A 87 21.202 0.096 7.391 1.00 1.58 C ATOM 0 HA ALA A 87 20.134 0.129 5.511 1.00 0.92 H new ATOM 0 HB1 ALA A 87 20.614 -0.715 7.821 1.00 1.58 H new ATOM 0 HB2 ALA A 87 22.106 -0.311 6.938 1.00 1.58 H new ATOM 0 HB3 ALA A 87 21.475 0.801 8.176 1.00 1.58 H new ATOM 1295 N CYS A 88 18.990 2.408 7.614 1.00 0.69 N ATOM 1296 CA CYS A 88 17.801 2.775 8.375 1.00 0.59 C ATOM 1297 C CYS A 88 16.612 2.948 7.427 1.00 0.49 C ATOM 1298 O CYS A 88 15.511 2.475 7.701 1.00 0.48 O ATOM 1299 CB CYS A 88 18.084 4.060 9.145 1.00 0.64 C ATOM 1300 SG CYS A 88 19.469 3.853 10.296 1.00 0.83 S ATOM 0 H CYS A 88 19.757 3.077 7.677 1.00 0.69 H new ATOM 0 HA CYS A 88 17.551 1.988 9.086 1.00 0.59 H new ATOM 0 HB2 CYS A 88 18.309 4.864 8.444 1.00 0.64 H new ATOM 0 HB3 CYS A 88 17.193 4.359 9.697 1.00 0.64 H new ATOM 0 HG CYS A 88 19.062 4.081 11.510 1.00 0.83 H new ATOM 1306 N ALA A 89 16.870 3.571 6.274 1.00 0.51 N ATOM 1307 CA ALA A 89 15.929 3.730 5.176 1.00 0.50 C ATOM 1308 C ALA A 89 15.448 2.367 4.653 1.00 0.50 C ATOM 1309 O ALA A 89 14.277 2.210 4.323 1.00 0.49 O ATOM 1310 CB ALA A 89 16.569 4.597 4.086 1.00 0.63 C ATOM 0 H ALA A 89 17.778 3.993 6.078 1.00 0.51 H new ATOM 0 HA ALA A 89 15.034 4.242 5.529 1.00 0.50 H new ATOM 0 HB1 ALA A 89 15.868 4.720 3.260 1.00 0.63 H new ATOM 0 HB2 ALA A 89 16.818 5.575 4.498 1.00 0.63 H new ATOM 0 HB3 ALA A 89 17.476 4.114 3.723 1.00 0.63 H new ATOM 1316 N ASN A 90 16.313 1.348 4.627 1.00 0.56 N ATOM 1317 CA ASN A 90 15.878 0.003 4.254 1.00 0.63 C ATOM 1318 C ASN A 90 14.992 -0.588 5.352 1.00 0.59 C ATOM 1319 O ASN A 90 14.034 -1.313 5.074 1.00 0.68 O ATOM 1320 CB ASN A 90 17.059 -0.936 3.947 1.00 0.78 C ATOM 1321 CG ASN A 90 17.631 -0.746 2.544 1.00 1.11 C ATOM 1322 OD1 ASN A 90 16.888 -0.617 1.580 1.00 2.11 O ATOM 1323 ND2 ASN A 90 18.953 -0.739 2.404 1.00 1.17 N ATOM 0 H ASN A 90 17.304 1.428 4.856 1.00 0.56 H new ATOM 0 HA ASN A 90 15.301 0.094 3.334 1.00 0.63 H new ATOM 0 HB2 ASN A 90 17.848 -0.768 4.680 1.00 0.78 H new ATOM 0 HB3 ASN A 90 16.732 -1.969 4.062 1.00 0.78 H new ATOM 0 HD21 ASN A 90 19.367 -0.624 1.479 1.00 1.17 H new ATOM 0 HD22 ASN A 90 19.553 -0.848 3.222 1.00 1.17 H new ATOM 1330 N ARG A 91 15.324 -0.345 6.623 1.00 0.59 N ATOM 1331 CA ARG A 91 14.497 -0.788 7.740 1.00 0.67 C ATOM 1332 C ARG A 91 13.093 -0.189 7.642 1.00 0.64 C ATOM 1333 O ARG A 91 12.108 -0.928 7.628 1.00 0.70 O ATOM 1334 CB ARG A 91 15.165 -0.462 9.089 1.00 0.77 C ATOM 1335 CG ARG A 91 15.551 -1.749 9.826 1.00 1.00 C ATOM 1336 CD ARG A 91 16.058 -1.441 11.240 1.00 2.06 C ATOM 1337 NE ARG A 91 16.363 -2.686 11.966 1.00 2.38 N ATOM 1338 CZ ARG A 91 16.372 -2.836 13.302 1.00 3.49 C ATOM 1339 NH1 ARG A 91 16.150 -1.785 14.101 1.00 4.65 N ATOM 1340 NH2 ARG A 91 16.598 -4.044 13.832 1.00 3.97 N ATOM 0 H ARG A 91 16.166 0.160 6.901 1.00 0.59 H new ATOM 0 HA ARG A 91 14.398 -1.872 7.685 1.00 0.67 H new ATOM 0 HB2 ARG A 91 16.053 0.148 8.923 1.00 0.77 H new ATOM 0 HB3 ARG A 91 14.485 0.126 9.705 1.00 0.77 H new ATOM 0 HG2 ARG A 91 14.689 -2.413 9.882 1.00 1.00 H new ATOM 0 HG3 ARG A 91 16.323 -2.276 9.265 1.00 1.00 H new ATOM 0 HD2 ARG A 91 16.951 -0.819 11.184 1.00 2.06 H new ATOM 0 HD3 ARG A 91 15.306 -0.871 11.785 1.00 2.06 H new ATOM 0 HE ARG A 91 16.587 -3.508 11.405 1.00 2.38 H new ATOM 0 HH11 ARG A 91 15.973 -0.865 13.697 1.00 4.65 H new ATOM 0 HH12 ARG A 91 16.158 -1.904 15.114 1.00 4.65 H new ATOM 0 HH21 ARG A 91 16.762 -4.846 13.223 1.00 3.97 H new ATOM 0 HH22 ARG A 91 16.606 -4.163 14.845 1.00 3.97 H new ATOM 1354 N ILE A 92 13.005 1.140 7.567 1.00 0.59 N ATOM 1355 CA ILE A 92 11.726 1.827 7.444 1.00 0.59 C ATOM 1356 C ILE A 92 10.990 1.374 6.178 1.00 0.60 C ATOM 1357 O ILE A 92 9.790 1.124 6.257 1.00 0.70 O ATOM 1358 CB ILE A 92 11.867 3.358 7.608 1.00 0.61 C ATOM 1359 CG1 ILE A 92 12.779 4.019 6.582 1.00 1.16 C ATOM 1360 CG2 ILE A 92 12.377 3.684 9.015 1.00 1.85 C ATOM 1361 CD1 ILE A 92 12.032 4.617 5.388 1.00 1.82 C ATOM 0 H ILE A 92 13.813 1.762 7.590 1.00 0.59 H new ATOM 0 HA ILE A 92 11.086 1.535 8.276 1.00 0.59 H new ATOM 0 HB ILE A 92 10.870 3.766 7.443 1.00 0.61 H new ATOM 0 HG12 ILE A 92 13.352 4.806 7.072 1.00 1.16 H new ATOM 0 HG13 ILE A 92 13.496 3.283 6.219 1.00 1.16 H new ATOM 0 HG21 ILE A 92 12.475 4.764 9.125 1.00 1.85 H new ATOM 0 HG22 ILE A 92 11.671 3.306 9.755 1.00 1.85 H new ATOM 0 HG23 ILE A 92 13.349 3.214 9.168 1.00 1.85 H new ATOM 0 HD11 ILE A 92 12.747 5.070 4.701 1.00 1.82 H new ATOM 0 HD12 ILE A 92 11.481 3.830 4.872 1.00 1.82 H new ATOM 0 HD13 ILE A 92 11.335 5.378 5.739 1.00 1.82 H new ATOM 1373 N GLU A 93 11.687 1.185 5.048 1.00 0.58 N ATOM 1374 CA GLU A 93 11.100 0.748 3.792 1.00 0.64 C ATOM 1375 C GLU A 93 10.279 -0.503 4.039 1.00 0.67 C ATOM 1376 O GLU A 93 9.070 -0.476 3.838 1.00 0.72 O ATOM 1377 CB GLU A 93 12.182 0.471 2.735 1.00 0.68 C ATOM 1378 CG GLU A 93 11.533 0.124 1.389 1.00 0.82 C ATOM 1379 CD GLU A 93 11.989 -1.225 0.855 1.00 1.21 C ATOM 1380 OE1 GLU A 93 11.643 -2.231 1.512 1.00 2.34 O ATOM 1381 OE2 GLU A 93 12.675 -1.228 -0.187 1.00 1.66 O ATOM 0 H GLU A 93 12.694 1.337 4.990 1.00 0.58 H new ATOM 0 HA GLU A 93 10.461 1.543 3.409 1.00 0.64 H new ATOM 0 HB2 GLU A 93 12.823 1.345 2.623 1.00 0.68 H new ATOM 0 HB3 GLU A 93 12.818 -0.351 3.063 1.00 0.68 H new ATOM 0 HG2 GLU A 93 10.449 0.119 1.502 1.00 0.82 H new ATOM 0 HG3 GLU A 93 11.774 0.900 0.662 1.00 0.82 H new ATOM 1388 N LYS A 94 10.912 -1.570 4.537 1.00 0.69 N ATOM 1389 CA LYS A 94 10.205 -2.821 4.772 1.00 0.76 C ATOM 1390 C LYS A 94 8.987 -2.616 5.678 1.00 0.76 C ATOM 1391 O LYS A 94 8.043 -3.399 5.593 1.00 0.85 O ATOM 1392 CB LYS A 94 11.130 -3.912 5.341 1.00 0.82 C ATOM 1393 CG LYS A 94 11.771 -4.791 4.249 1.00 1.05 C ATOM 1394 CD LYS A 94 12.986 -4.185 3.533 1.00 1.30 C ATOM 1395 CE LYS A 94 14.314 -4.515 4.225 1.00 2.61 C ATOM 1396 NZ LYS A 94 14.370 -3.943 5.578 1.00 4.74 N ATOM 0 H LYS A 94 11.902 -1.588 4.781 1.00 0.69 H new ATOM 0 HA LYS A 94 9.851 -3.166 3.801 1.00 0.76 H new ATOM 0 HB2 LYS A 94 11.918 -3.442 5.929 1.00 0.82 H new ATOM 0 HB3 LYS A 94 10.560 -4.545 6.021 1.00 0.82 H new ATOM 0 HG2 LYS A 94 12.073 -5.736 4.700 1.00 1.05 H new ATOM 0 HG3 LYS A 94 11.011 -5.023 3.503 1.00 1.05 H new ATOM 0 HD2 LYS A 94 13.016 -4.551 2.507 1.00 1.30 H new ATOM 0 HD3 LYS A 94 12.868 -3.103 3.482 1.00 1.30 H new ATOM 0 HE2 LYS A 94 14.439 -5.596 4.280 1.00 2.61 H new ATOM 0 HE3 LYS A 94 15.142 -4.129 3.630 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.362 -3.865 5.881 1.00 4.74 H new ATOM 0 HZ2 LYS A 94 13.933 -2.999 5.574 1.00 4.74 H new ATOM 0 HZ3 LYS A 94 13.854 -4.560 6.237 1.00 4.74 H new ATOM 1410 N ARG A 95 8.991 -1.594 6.544 1.00 0.68 N ATOM 1411 CA ARG A 95 7.758 -1.251 7.253 1.00 0.66 C ATOM 1412 C ARG A 95 6.754 -0.597 6.302 1.00 0.55 C ATOM 1413 O ARG A 95 5.725 -1.191 5.976 1.00 0.59 O ATOM 1414 CB ARG A 95 8.037 -0.386 8.494 1.00 0.72 C ATOM 1415 CG ARG A 95 7.597 -1.120 9.769 1.00 1.62 C ATOM 1416 CD ARG A 95 8.544 -2.287 10.072 1.00 0.94 C ATOM 1417 NE ARG A 95 7.963 -3.203 11.063 1.00 1.51 N ATOM 1418 CZ ARG A 95 8.493 -4.390 11.394 1.00 1.85 C ATOM 1419 NH1 ARG A 95 9.680 -4.746 10.890 1.00 3.03 N ATOM 1420 NH2 ARG A 95 7.837 -5.213 12.220 1.00 2.59 N ATOM 0 H ARG A 95 9.800 -1.013 6.763 1.00 0.68 H new ATOM 0 HA ARG A 95 7.309 -2.174 7.619 1.00 0.66 H new ATOM 0 HB2 ARG A 95 9.100 -0.152 8.550 1.00 0.72 H new ATOM 0 HB3 ARG A 95 7.506 0.562 8.411 1.00 0.72 H new ATOM 0 HG2 ARG A 95 7.586 -0.426 10.609 1.00 1.62 H new ATOM 0 HG3 ARG A 95 6.579 -1.492 9.649 1.00 1.62 H new ATOM 0 HD2 ARG A 95 8.759 -2.832 9.153 1.00 0.94 H new ATOM 0 HD3 ARG A 95 9.493 -1.901 10.443 1.00 0.94 H new ATOM 0 HE ARG A 95 7.102 -2.918 11.529 1.00 1.51 H new ATOM 0 HH11 ARG A 95 10.176 -4.116 10.259 1.00 3.03 H new ATOM 0 HH12 ARG A 95 10.089 -5.647 11.137 1.00 3.03 H new ATOM 0 HH21 ARG A 95 6.931 -4.939 12.600 1.00 2.59 H new ATOM 0 HH22 ARG A 95 8.243 -6.115 12.470 1.00 2.59 H new ATOM 1434 N LEU A 96 7.062 0.634 5.882 1.00 0.45 N ATOM 1435 CA LEU A 96 6.191 1.471 5.068 1.00 0.40 C ATOM 1436 C LEU A 96 5.568 0.674 3.919 1.00 0.44 C ATOM 1437 O LEU A 96 4.365 0.763 3.709 1.00 0.49 O ATOM 1438 CB LEU A 96 6.935 2.726 4.595 1.00 0.37 C ATOM 1439 CG LEU A 96 6.994 3.806 5.698 1.00 0.50 C ATOM 1440 CD1 LEU A 96 8.424 4.150 6.110 1.00 1.05 C ATOM 1441 CD2 LEU A 96 6.271 5.072 5.231 1.00 1.71 C ATOM 0 H LEU A 96 7.950 1.083 6.108 1.00 0.45 H new ATOM 0 HA LEU A 96 5.359 1.812 5.684 1.00 0.40 H new ATOM 0 HB2 LEU A 96 7.948 2.457 4.295 1.00 0.37 H new ATOM 0 HB3 LEU A 96 6.439 3.133 3.714 1.00 0.37 H new ATOM 0 HG LEU A 96 6.496 3.393 6.575 1.00 0.50 H new ATOM 0 HD11 LEU A 96 8.405 4.914 6.887 1.00 1.05 H new ATOM 0 HD12 LEU A 96 8.918 3.256 6.491 1.00 1.05 H new ATOM 0 HD13 LEU A 96 8.971 4.526 5.246 1.00 1.05 H new ATOM 0 HD21 LEU A 96 6.318 5.828 6.015 1.00 1.71 H new ATOM 0 HD22 LEU A 96 6.751 5.454 4.330 1.00 1.71 H new ATOM 0 HD23 LEU A 96 5.229 4.837 5.015 1.00 1.71 H new ATOM 1453 N ASN A 97 6.377 -0.155 3.248 1.00 0.49 N ATOM 1454 CA ASN A 97 6.019 -1.113 2.202 1.00 0.59 C ATOM 1455 C ASN A 97 4.601 -1.669 2.347 1.00 0.64 C ATOM 1456 O ASN A 97 3.874 -1.766 1.362 1.00 0.68 O ATOM 1457 CB ASN A 97 7.028 -2.271 2.219 1.00 0.73 C ATOM 1458 CG ASN A 97 6.952 -3.135 0.967 1.00 1.06 C ATOM 1459 OD1 ASN A 97 6.052 -3.956 0.816 1.00 1.63 O ATOM 1460 ND2 ASN A 97 7.929 -2.976 0.075 1.00 1.19 N ATOM 0 H ASN A 97 7.379 -0.172 3.440 1.00 0.49 H new ATOM 0 HA ASN A 97 6.048 -0.578 1.253 1.00 0.59 H new ATOM 0 HB2 ASN A 97 8.036 -1.868 2.317 1.00 0.73 H new ATOM 0 HB3 ASN A 97 6.847 -2.892 3.096 1.00 0.73 H new ATOM 0 HD21 ASN A 97 7.947 -3.548 -0.770 1.00 1.19 H new ATOM 0 HD22 ASN A 97 8.659 -2.283 0.237 1.00 1.19 H new ATOM 1467 N LYS A 98 4.221 -2.049 3.571 1.00 0.65 N ATOM 1468 CA LYS A 98 2.886 -2.538 3.879 1.00 0.70 C ATOM 1469 C LYS A 98 2.617 -2.391 5.377 1.00 0.71 C ATOM 1470 O LYS A 98 2.611 -3.383 6.103 1.00 0.85 O ATOM 1471 CB LYS A 98 2.699 -3.984 3.386 1.00 0.82 C ATOM 1472 CG LYS A 98 3.932 -4.866 3.649 1.00 0.85 C ATOM 1473 CD LYS A 98 3.568 -6.301 4.057 1.00 2.15 C ATOM 1474 CE LYS A 98 3.159 -6.379 5.539 1.00 3.51 C ATOM 1475 NZ LYS A 98 2.945 -7.769 5.998 1.00 4.72 N ATOM 0 H LYS A 98 4.842 -2.023 4.379 1.00 0.65 H new ATOM 0 HA LYS A 98 2.149 -1.936 3.347 1.00 0.70 H new ATOM 0 HB2 LYS A 98 1.832 -4.422 3.880 1.00 0.82 H new ATOM 0 HB3 LYS A 98 2.486 -3.974 2.317 1.00 0.82 H new ATOM 0 HG2 LYS A 98 4.549 -4.895 2.751 1.00 0.85 H new ATOM 0 HG3 LYS A 98 4.535 -4.412 4.436 1.00 0.85 H new ATOM 0 HD2 LYS A 98 2.750 -6.661 3.433 1.00 2.15 H new ATOM 0 HD3 LYS A 98 4.419 -6.958 3.878 1.00 2.15 H new ATOM 0 HE2 LYS A 98 3.932 -5.913 6.150 1.00 3.51 H new ATOM 0 HE3 LYS A 98 2.245 -5.806 5.690 1.00 3.51 H new ATOM 0 HZ1 LYS A 98 2.721 -7.769 7.014 1.00 4.72 H new ATOM 0 HZ2 LYS A 98 2.155 -8.191 5.470 1.00 4.72 H new ATOM 0 HZ3 LYS A 98 3.808 -8.326 5.834 1.00 4.72 H new ATOM 1489 N ILE A 99 2.381 -1.159 5.840 1.00 0.65 N ATOM 1490 CA ILE A 99 1.875 -0.939 7.194 1.00 0.71 C ATOM 1491 C ILE A 99 0.451 -1.498 7.281 1.00 0.81 C ATOM 1492 O ILE A 99 0.208 -2.460 8.005 1.00 1.22 O ATOM 1493 CB ILE A 99 1.943 0.550 7.587 1.00 0.71 C ATOM 1494 CG1 ILE A 99 3.413 0.987 7.684 1.00 0.74 C ATOM 1495 CG2 ILE A 99 1.259 0.776 8.944 1.00 0.80 C ATOM 1496 CD1 ILE A 99 3.566 2.509 7.638 1.00 2.48 C ATOM 0 H ILE A 99 2.532 -0.307 5.300 1.00 0.65 H new ATOM 0 HA ILE A 99 2.505 -1.465 7.911 1.00 0.71 H new ATOM 0 HB ILE A 99 1.429 1.138 6.826 1.00 0.71 H new ATOM 0 HG12 ILE A 99 3.843 0.608 8.611 1.00 0.74 H new ATOM 0 HG13 ILE A 99 3.978 0.541 6.865 1.00 0.74 H new ATOM 0 HG21 ILE A 99 1.315 1.832 9.208 1.00 0.80 H new ATOM 0 HG22 ILE A 99 0.214 0.473 8.880 1.00 0.80 H new ATOM 0 HG23 ILE A 99 1.762 0.184 9.708 1.00 0.80 H new ATOM 0 HD11 ILE A 99 4.622 2.771 7.710 1.00 2.48 H new ATOM 0 HD12 ILE A 99 3.161 2.887 6.699 1.00 2.48 H new ATOM 0 HD13 ILE A 99 3.024 2.955 8.472 1.00 2.48 H new ATOM 1508 N GLU A 100 -0.470 -0.890 6.527 1.00 0.66 N ATOM 1509 CA GLU A 100 -1.859 -1.311 6.417 1.00 0.70 C ATOM 1510 C GLU A 100 -2.283 -1.122 4.954 1.00 0.67 C ATOM 1511 O GLU A 100 -2.038 -1.999 4.125 1.00 0.90 O ATOM 1512 CB GLU A 100 -2.728 -0.562 7.459 1.00 0.73 C ATOM 1513 CG GLU A 100 -3.567 -1.529 8.304 1.00 1.15 C ATOM 1514 CD GLU A 100 -4.553 -2.353 7.480 1.00 2.56 C ATOM 1515 OE1 GLU A 100 -4.733 -2.018 6.289 1.00 3.49 O ATOM 1516 OE2 GLU A 100 -5.100 -3.315 8.057 1.00 3.44 O ATOM 0 H GLU A 100 -0.257 -0.068 5.962 1.00 0.66 H new ATOM 0 HA GLU A 100 -1.997 -2.365 6.659 1.00 0.70 H new ATOM 0 HB2 GLU A 100 -2.084 0.027 8.113 1.00 0.73 H new ATOM 0 HB3 GLU A 100 -3.387 0.138 6.946 1.00 0.73 H new ATOM 0 HG2 GLU A 100 -2.900 -2.204 8.841 1.00 1.15 H new ATOM 0 HG3 GLU A 100 -4.117 -0.961 9.054 1.00 1.15 H new ATOM 1523 N GLY A 101 -2.800 0.057 4.594 1.00 0.57 N ATOM 1524 CA GLY A 101 -3.287 0.347 3.254 1.00 0.56 C ATOM 1525 C GLY A 101 -2.241 1.109 2.459 1.00 0.56 C ATOM 1526 O GLY A 101 -2.522 2.177 1.912 1.00 0.67 O ATOM 0 H GLY A 101 -2.890 0.843 5.238 1.00 0.57 H new ATOM 0 HA2 GLY A 101 -3.535 -0.583 2.742 1.00 0.56 H new ATOM 0 HA3 GLY A 101 -4.204 0.932 3.313 1.00 0.56 H new ATOM 1530 N VAL A 102 -1.028 0.551 2.412 1.00 0.54 N ATOM 1531 CA VAL A 102 0.097 1.114 1.685 1.00 0.53 C ATOM 1532 C VAL A 102 0.315 0.277 0.433 1.00 0.54 C ATOM 1533 O VAL A 102 0.617 -0.911 0.527 1.00 0.54 O ATOM 1534 CB VAL A 102 1.349 1.204 2.571 1.00 0.52 C ATOM 1535 CG1 VAL A 102 2.424 2.006 1.824 1.00 0.53 C ATOM 1536 CG2 VAL A 102 1.041 1.862 3.922 1.00 0.52 C ATOM 0 H VAL A 102 -0.803 -0.322 2.890 1.00 0.54 H new ATOM 0 HA VAL A 102 -0.118 2.141 1.388 1.00 0.53 H new ATOM 0 HB VAL A 102 1.706 0.195 2.777 1.00 0.52 H new ATOM 0 HG11 VAL A 102 3.319 2.078 2.442 1.00 0.53 H new ATOM 0 HG12 VAL A 102 2.668 1.503 0.888 1.00 0.53 H new ATOM 0 HG13 VAL A 102 2.049 3.007 1.611 1.00 0.53 H new ATOM 0 HG21 VAL A 102 1.951 1.908 4.520 1.00 0.52 H new ATOM 0 HG22 VAL A 102 0.664 2.871 3.758 1.00 0.52 H new ATOM 0 HG23 VAL A 102 0.289 1.275 4.449 1.00 0.52 H new ATOM 1546 N ALA A 103 0.135 0.896 -0.733 1.00 0.58 N ATOM 1547 CA ALA A 103 0.386 0.258 -2.008 1.00 0.61 C ATOM 1548 C ALA A 103 1.881 0.005 -2.146 1.00 0.60 C ATOM 1549 O ALA A 103 2.282 -1.117 -2.439 1.00 0.65 O ATOM 1550 CB ALA A 103 -0.135 1.120 -3.160 1.00 0.65 C ATOM 0 H ALA A 103 -0.191 1.859 -0.811 1.00 0.58 H new ATOM 0 HA ALA A 103 -0.145 -0.693 -2.050 1.00 0.61 H new ATOM 0 HB1 ALA A 103 0.065 0.620 -4.108 1.00 0.65 H new ATOM 0 HB2 ALA A 103 -1.209 1.268 -3.047 1.00 0.65 H new ATOM 0 HB3 ALA A 103 0.368 2.087 -3.147 1.00 0.65 H new ATOM 1556 N ASN A 104 2.708 1.034 -1.934 1.00 0.57 N ATOM 1557 CA ASN A 104 4.162 0.921 -2.058 1.00 0.63 C ATOM 1558 C ASN A 104 4.817 1.980 -1.187 1.00 0.56 C ATOM 1559 O ASN A 104 4.143 2.871 -0.671 1.00 0.54 O ATOM 1560 CB ASN A 104 4.653 1.113 -3.506 1.00 0.72 C ATOM 1561 CG ASN A 104 3.990 0.177 -4.504 1.00 0.74 C ATOM 1562 OD1 ASN A 104 4.333 -1.001 -4.591 1.00 0.89 O ATOM 1563 ND2 ASN A 104 3.039 0.701 -5.262 1.00 0.70 N ATOM 0 H ASN A 104 2.387 1.966 -1.672 1.00 0.57 H new ATOM 0 HA ASN A 104 4.435 -0.086 -1.742 1.00 0.63 H new ATOM 0 HB2 ASN A 104 4.468 2.144 -3.809 1.00 0.72 H new ATOM 0 HB3 ASN A 104 5.732 0.960 -3.538 1.00 0.72 H new ATOM 0 HD21 ASN A 104 2.559 0.122 -5.951 1.00 0.70 H new ATOM 0 HD22 ASN A 104 2.786 1.683 -5.156 1.00 0.70 H new ATOM 1570 N ALA A 105 6.143 1.908 -1.062 1.00 0.53 N ATOM 1571 CA ALA A 105 6.905 2.922 -0.345 1.00 0.45 C ATOM 1572 C ALA A 105 8.390 2.935 -0.732 1.00 0.45 C ATOM 1573 O ALA A 105 9.229 2.545 0.078 1.00 0.46 O ATOM 1574 CB ALA A 105 6.740 2.727 1.164 1.00 0.44 C ATOM 0 H ALA A 105 6.710 1.154 -1.451 1.00 0.53 H new ATOM 0 HA ALA A 105 6.503 3.893 -0.633 1.00 0.45 H new ATOM 0 HB1 ALA A 105 7.312 3.488 1.694 1.00 0.44 H new ATOM 0 HB2 ALA A 105 5.686 2.815 1.429 1.00 0.44 H new ATOM 0 HB3 ALA A 105 7.104 1.739 1.445 1.00 0.44 H new ATOM 1580 N PRO A 106 8.746 3.355 -1.956 1.00 0.48 N ATOM 1581 CA PRO A 106 10.136 3.399 -2.377 1.00 0.51 C ATOM 1582 C PRO A 106 10.887 4.521 -1.644 1.00 0.47 C ATOM 1583 O PRO A 106 10.367 5.627 -1.479 1.00 0.47 O ATOM 1584 CB PRO A 106 10.099 3.593 -3.895 1.00 0.58 C ATOM 1585 CG PRO A 106 8.758 4.283 -4.153 1.00 0.59 C ATOM 1586 CD PRO A 106 7.854 3.786 -3.022 1.00 0.52 C ATOM 0 HA PRO A 106 10.679 2.487 -2.129 1.00 0.51 H new ATOM 0 HB2 PRO A 106 10.934 4.204 -4.239 1.00 0.58 H new ATOM 0 HB3 PRO A 106 10.164 2.640 -4.420 1.00 0.58 H new ATOM 0 HG2 PRO A 106 8.859 5.368 -4.134 1.00 0.59 H new ATOM 0 HG3 PRO A 106 8.355 4.017 -5.130 1.00 0.59 H new ATOM 0 HD2 PRO A 106 7.189 4.578 -2.678 1.00 0.52 H new ATOM 0 HD3 PRO A 106 7.223 2.964 -3.359 1.00 0.52 H new ATOM 1594 N VAL A 107 12.117 4.226 -1.203 1.00 0.49 N ATOM 1595 CA VAL A 107 12.964 5.153 -0.466 1.00 0.48 C ATOM 1596 C VAL A 107 14.107 5.621 -1.363 1.00 0.53 C ATOM 1597 O VAL A 107 14.734 4.818 -2.051 1.00 0.62 O ATOM 1598 CB VAL A 107 13.467 4.513 0.839 1.00 0.52 C ATOM 1599 CG1 VAL A 107 14.218 5.528 1.702 1.00 1.91 C ATOM 1600 CG2 VAL A 107 12.301 3.977 1.676 1.00 2.33 C ATOM 0 H VAL A 107 12.553 3.317 -1.355 1.00 0.49 H new ATOM 0 HA VAL A 107 12.384 6.029 -0.178 1.00 0.48 H new ATOM 0 HB VAL A 107 14.132 3.700 0.547 1.00 0.52 H new ATOM 0 HG11 VAL A 107 14.561 5.045 2.617 1.00 1.91 H new ATOM 0 HG12 VAL A 107 15.077 5.910 1.150 1.00 1.91 H new ATOM 0 HG13 VAL A 107 13.553 6.353 1.955 1.00 1.91 H new ATOM 0 HG21 VAL A 107 12.686 3.530 2.593 1.00 2.33 H new ATOM 0 HG22 VAL A 107 11.627 4.796 1.927 1.00 2.33 H new ATOM 0 HG23 VAL A 107 11.759 3.223 1.105 1.00 2.33 H new ATOM 1610 N ASN A 108 14.372 6.928 -1.361 1.00 0.63 N ATOM 1611 CA ASN A 108 15.374 7.544 -2.222 1.00 0.80 C ATOM 1612 C ASN A 108 16.777 7.276 -1.709 1.00 1.10 C ATOM 1613 O ASN A 108 17.709 7.201 -2.506 1.00 2.89 O ATOM 1614 CB ASN A 108 15.184 9.061 -2.274 1.00 0.68 C ATOM 1615 CG ASN A 108 14.082 9.462 -3.242 1.00 0.98 C ATOM 1616 OD1 ASN A 108 12.911 9.511 -2.879 1.00 1.50 O ATOM 1617 ND2 ASN A 108 14.459 9.762 -4.483 1.00 1.35 N ATOM 0 H ASN A 108 13.891 7.592 -0.755 1.00 0.63 H new ATOM 0 HA ASN A 108 15.249 7.109 -3.214 1.00 0.80 H new ATOM 0 HB2 ASN A 108 14.944 9.431 -1.277 1.00 0.68 H new ATOM 0 HB3 ASN A 108 16.119 9.534 -2.573 1.00 0.68 H new ATOM 0 HD21 ASN A 108 13.763 10.046 -5.173 1.00 1.35 H new ATOM 0 HD22 ASN A 108 15.444 9.708 -4.744 1.00 1.35 H new ATOM 1624 N PHE A 109 16.941 7.248 -0.382 1.00 1.43 N ATOM 1625 CA PHE A 109 18.208 7.239 0.327 1.00 1.40 C ATOM 1626 C PHE A 109 18.980 8.543 0.137 1.00 1.52 C ATOM 1627 O PHE A 109 19.226 9.264 1.097 1.00 2.34 O ATOM 1628 CB PHE A 109 19.064 6.023 -0.051 1.00 1.34 C ATOM 1629 CG PHE A 109 18.936 4.864 0.905 1.00 1.88 C ATOM 1630 CD1 PHE A 109 19.681 4.872 2.096 1.00 2.12 C ATOM 1631 CD2 PHE A 109 18.111 3.769 0.597 1.00 3.32 C ATOM 1632 CE1 PHE A 109 19.639 3.767 2.957 1.00 2.51 C ATOM 1633 CE2 PHE A 109 18.083 2.654 1.450 1.00 3.98 C ATOM 1634 CZ PHE A 109 18.860 2.644 2.624 1.00 3.19 C ATOM 0 H PHE A 109 16.144 7.230 0.254 1.00 1.43 H new ATOM 0 HA PHE A 109 17.972 7.156 1.388 1.00 1.40 H new ATOM 0 HB2 PHE A 109 18.783 5.690 -1.050 1.00 1.34 H new ATOM 0 HB3 PHE A 109 20.109 6.328 -0.099 1.00 1.34 H new ATOM 0 HD1 PHE A 109 20.286 5.730 2.348 1.00 2.12 H new ATOM 0 HD2 PHE A 109 17.500 3.785 -0.293 1.00 3.32 H new ATOM 0 HE1 PHE A 109 20.205 3.778 3.877 1.00 2.51 H new ATOM 0 HE2 PHE A 109 17.465 1.803 1.205 1.00 3.98 H new ATOM 0 HZ PHE A 109 18.858 1.776 3.267 1.00 3.19 H new ATOM 1644 N ALA A 110 19.383 8.839 -1.097 1.00 1.16 N ATOM 1645 CA ALA A 110 20.379 9.854 -1.396 1.00 1.40 C ATOM 1646 C ALA A 110 19.868 11.240 -1.016 1.00 1.27 C ATOM 1647 O ALA A 110 20.629 12.095 -0.576 1.00 1.49 O ATOM 1648 CB ALA A 110 20.718 9.793 -2.888 1.00 1.60 C ATOM 0 H ALA A 110 19.018 8.371 -1.927 1.00 1.16 H new ATOM 0 HA ALA A 110 21.279 9.662 -0.811 1.00 1.40 H new ATOM 0 HB1 ALA A 110 21.465 10.551 -3.123 1.00 1.60 H new ATOM 0 HB2 ALA A 110 21.113 8.807 -3.131 1.00 1.60 H new ATOM 0 HB3 ALA A 110 19.817 9.978 -3.474 1.00 1.60 H new ATOM 1654 N LEU A 111 18.565 11.449 -1.205 1.00 1.03 N ATOM 1655 CA LEU A 111 17.887 12.686 -0.859 1.00 1.03 C ATOM 1656 C LEU A 111 17.440 12.697 0.606 1.00 0.78 C ATOM 1657 O LEU A 111 16.892 13.705 1.045 1.00 0.77 O ATOM 1658 CB LEU A 111 16.655 12.849 -1.759 1.00 1.20 C ATOM 1659 CG LEU A 111 16.934 12.710 -3.267 1.00 1.23 C ATOM 1660 CD1 LEU A 111 15.664 13.070 -4.045 1.00 1.42 C ATOM 1661 CD2 LEU A 111 18.085 13.604 -3.739 1.00 1.31 C ATOM 0 H LEU A 111 17.945 10.747 -1.610 1.00 1.03 H new ATOM 0 HA LEU A 111 18.587 13.509 -1.006 1.00 1.03 H new ATOM 0 HB2 LEU A 111 15.911 12.106 -1.471 1.00 1.20 H new ATOM 0 HB3 LEU A 111 16.214 13.829 -1.574 1.00 1.20 H new ATOM 0 HG LEU A 111 17.228 11.677 -3.453 1.00 1.23 H new ATOM 0 HD11 LEU A 111 15.853 12.974 -5.114 1.00 1.42 H new ATOM 0 HD12 LEU A 111 14.858 12.396 -3.757 1.00 1.42 H new ATOM 0 HD13 LEU A 111 15.377 14.097 -3.818 1.00 1.42 H new ATOM 0 HD21 LEU A 111 18.238 13.466 -4.809 1.00 1.31 H new ATOM 0 HD22 LEU A 111 17.841 14.647 -3.539 1.00 1.31 H new ATOM 0 HD23 LEU A 111 18.996 13.336 -3.205 1.00 1.31 H new ATOM 1673 N GLU A 112 17.585 11.573 1.321 1.00 0.72 N ATOM 1674 CA GLU A 112 17.033 11.362 2.652 1.00 0.63 C ATOM 1675 C GLU A 112 15.502 11.494 2.635 1.00 0.47 C ATOM 1676 O GLU A 112 14.915 12.145 3.495 1.00 0.52 O ATOM 1677 CB GLU A 112 17.749 12.269 3.670 1.00 0.77 C ATOM 1678 CG GLU A 112 19.235 11.876 3.765 1.00 0.97 C ATOM 1679 CD GLU A 112 20.090 12.911 4.487 1.00 1.72 C ATOM 1680 OE1 GLU A 112 20.059 14.080 4.048 1.00 2.72 O ATOM 1681 OE2 GLU A 112 20.790 12.505 5.440 1.00 2.27 O ATOM 0 H GLU A 112 18.105 10.767 0.973 1.00 0.72 H new ATOM 0 HA GLU A 112 17.223 10.340 2.981 1.00 0.63 H new ATOM 0 HB2 GLU A 112 17.658 13.312 3.368 1.00 0.77 H new ATOM 0 HB3 GLU A 112 17.276 12.178 4.648 1.00 0.77 H new ATOM 0 HG2 GLU A 112 19.318 10.921 4.284 1.00 0.97 H new ATOM 0 HG3 GLU A 112 19.629 11.728 2.760 1.00 0.97 H new ATOM 1688 N THR A 113 14.842 10.843 1.661 1.00 0.45 N ATOM 1689 CA THR A 113 13.392 10.895 1.481 1.00 0.38 C ATOM 1690 C THR A 113 12.806 9.496 1.294 1.00 0.39 C ATOM 1691 O THR A 113 13.455 8.627 0.709 1.00 0.43 O ATOM 1692 CB THR A 113 13.017 11.805 0.300 1.00 0.52 C ATOM 1693 OG1 THR A 113 13.448 11.290 -0.939 1.00 0.69 O ATOM 1694 CG2 THR A 113 13.726 13.148 0.402 1.00 0.67 C ATOM 0 H THR A 113 15.314 10.259 0.970 1.00 0.45 H new ATOM 0 HA THR A 113 12.961 11.319 2.388 1.00 0.38 H new ATOM 0 HB THR A 113 11.931 11.885 0.347 1.00 0.52 H new ATOM 0 HG1 THR A 113 12.814 10.610 -1.249 1.00 0.69 H new ATOM 0 HG21 THR A 113 13.444 13.773 -0.445 1.00 0.67 H new ATOM 0 HG22 THR A 113 13.438 13.642 1.330 1.00 0.67 H new ATOM 0 HG23 THR A 113 14.805 12.991 0.394 1.00 0.67 H new ATOM 1702 N VAL A 114 11.568 9.303 1.764 1.00 0.47 N ATOM 1703 CA VAL A 114 10.737 8.140 1.483 1.00 0.53 C ATOM 1704 C VAL A 114 9.470 8.609 0.786 1.00 0.52 C ATOM 1705 O VAL A 114 8.744 9.451 1.315 1.00 0.50 O ATOM 1706 CB VAL A 114 10.427 7.310 2.745 1.00 0.55 C ATOM 1707 CG1 VAL A 114 9.906 8.126 3.932 1.00 0.55 C ATOM 1708 CG2 VAL A 114 9.404 6.202 2.449 1.00 0.61 C ATOM 0 H VAL A 114 11.106 9.980 2.371 1.00 0.47 H new ATOM 0 HA VAL A 114 11.287 7.465 0.827 1.00 0.53 H new ATOM 0 HB VAL A 114 11.392 6.890 3.028 1.00 0.55 H new ATOM 0 HG11 VAL A 114 9.715 7.461 4.775 1.00 0.55 H new ATOM 0 HG12 VAL A 114 10.651 8.869 4.218 1.00 0.55 H new ATOM 0 HG13 VAL A 114 8.981 8.629 3.650 1.00 0.55 H new ATOM 0 HG21 VAL A 114 9.208 5.636 3.359 1.00 0.61 H new ATOM 0 HG22 VAL A 114 8.476 6.649 2.093 1.00 0.61 H new ATOM 0 HG23 VAL A 114 9.802 5.534 1.685 1.00 0.61 H new ATOM 1718 N THR A 115 9.191 8.031 -0.379 1.00 0.56 N ATOM 1719 CA THR A 115 7.888 8.156 -0.993 1.00 0.57 C ATOM 1720 C THR A 115 7.018 7.088 -0.344 1.00 0.58 C ATOM 1721 O THR A 115 7.468 5.959 -0.171 1.00 0.77 O ATOM 1722 CB THR A 115 8.013 7.939 -2.501 1.00 0.65 C ATOM 1723 OG1 THR A 115 8.985 8.828 -3.014 1.00 0.68 O ATOM 1724 CG2 THR A 115 6.682 8.175 -3.221 1.00 0.69 C ATOM 0 H THR A 115 9.857 7.472 -0.912 1.00 0.56 H new ATOM 0 HA THR A 115 7.451 9.144 -0.849 1.00 0.57 H new ATOM 0 HB THR A 115 8.308 6.904 -2.673 1.00 0.65 H new ATOM 0 HG1 THR A 115 9.073 8.694 -3.981 1.00 0.68 H new ATOM 0 HG21 THR A 115 6.813 8.011 -4.291 1.00 0.69 H new ATOM 0 HG22 THR A 115 5.933 7.483 -2.837 1.00 0.69 H new ATOM 0 HG23 THR A 115 6.352 9.199 -3.049 1.00 0.69 H new ATOM 1732 N VAL A 116 5.793 7.443 0.029 1.00 0.48 N ATOM 1733 CA VAL A 116 4.790 6.530 0.546 1.00 0.45 C ATOM 1734 C VAL A 116 3.575 6.622 -0.379 1.00 0.44 C ATOM 1735 O VAL A 116 2.992 7.694 -0.535 1.00 0.45 O ATOM 1736 CB VAL A 116 4.505 6.855 2.025 1.00 0.48 C ATOM 1737 CG1 VAL A 116 3.910 8.250 2.245 1.00 0.55 C ATOM 1738 CG2 VAL A 116 3.609 5.782 2.652 1.00 0.59 C ATOM 0 H VAL A 116 5.464 8.407 -0.024 1.00 0.48 H new ATOM 0 HA VAL A 116 5.122 5.492 0.547 1.00 0.45 H new ATOM 0 HB VAL A 116 5.473 6.856 2.525 1.00 0.48 H new ATOM 0 HG11 VAL A 116 3.736 8.408 3.309 1.00 0.55 H new ATOM 0 HG12 VAL A 116 4.605 9.004 1.875 1.00 0.55 H new ATOM 0 HG13 VAL A 116 2.965 8.332 1.707 1.00 0.55 H new ATOM 0 HG21 VAL A 116 3.420 6.031 3.696 1.00 0.59 H new ATOM 0 HG22 VAL A 116 2.663 5.737 2.113 1.00 0.59 H new ATOM 0 HG23 VAL A 116 4.106 4.814 2.594 1.00 0.59 H new ATOM 1748 N GLU A 117 3.219 5.508 -1.022 1.00 0.49 N ATOM 1749 CA GLU A 117 2.005 5.391 -1.808 1.00 0.55 C ATOM 1750 C GLU A 117 0.982 4.671 -0.946 1.00 0.58 C ATOM 1751 O GLU A 117 1.003 3.441 -0.895 1.00 0.57 O ATOM 1752 CB GLU A 117 2.259 4.570 -3.077 1.00 0.68 C ATOM 1753 CG GLU A 117 2.891 5.397 -4.193 1.00 0.94 C ATOM 1754 CD GLU A 117 3.121 4.572 -5.452 1.00 1.66 C ATOM 1755 OE1 GLU A 117 2.779 3.368 -5.420 1.00 2.49 O ATOM 1756 OE2 GLU A 117 3.635 5.166 -6.422 1.00 2.86 O ATOM 0 H GLU A 117 3.778 4.655 -1.007 1.00 0.49 H new ATOM 0 HA GLU A 117 1.655 6.379 -2.107 1.00 0.55 H new ATOM 0 HB2 GLU A 117 2.911 3.730 -2.838 1.00 0.68 H new ATOM 0 HB3 GLU A 117 1.316 4.151 -3.429 1.00 0.68 H new ATOM 0 HG2 GLU A 117 2.246 6.244 -4.427 1.00 0.94 H new ATOM 0 HG3 GLU A 117 3.841 5.806 -3.848 1.00 0.94 H new ATOM 1763 N TYR A 118 0.103 5.405 -0.261 1.00 0.61 N ATOM 1764 CA TYR A 118 -0.861 4.802 0.650 1.00 0.60 C ATOM 1765 C TYR A 118 -2.201 5.508 0.585 1.00 0.62 C ATOM 1766 O TYR A 118 -2.288 6.634 0.099 1.00 0.72 O ATOM 1767 CB TYR A 118 -0.328 4.815 2.083 1.00 0.58 C ATOM 1768 CG TYR A 118 -0.473 6.138 2.804 1.00 0.54 C ATOM 1769 CD1 TYR A 118 0.321 7.243 2.452 1.00 1.64 C ATOM 1770 CD2 TYR A 118 -1.460 6.280 3.792 1.00 1.76 C ATOM 1771 CE1 TYR A 118 0.238 8.435 3.193 1.00 1.68 C ATOM 1772 CE2 TYR A 118 -1.550 7.472 4.521 1.00 1.72 C ATOM 1773 CZ TYR A 118 -0.673 8.534 4.257 1.00 0.56 C ATOM 1774 OH TYR A 118 -0.703 9.649 5.040 1.00 0.68 O ATOM 0 H TYR A 118 0.042 6.421 -0.323 1.00 0.61 H new ATOM 0 HA TYR A 118 -1.008 3.768 0.337 1.00 0.60 H new ATOM 0 HB2 TYR A 118 -0.848 4.047 2.656 1.00 0.58 H new ATOM 0 HB3 TYR A 118 0.727 4.541 2.066 1.00 0.58 H new ATOM 0 HD1 TYR A 118 0.996 7.176 1.611 1.00 1.64 H new ATOM 0 HD2 TYR A 118 -2.148 5.472 3.989 1.00 1.76 H new ATOM 0 HE1 TYR A 118 0.873 9.272 2.944 1.00 1.68 H new ATOM 0 HE2 TYR A 118 -2.300 7.574 5.292 1.00 1.72 H new ATOM 0 HH TYR A 118 -1.590 10.063 4.986 1.00 0.68 H new ATOM 1784 N ASN A 119 -3.246 4.812 1.031 1.00 0.54 N ATOM 1785 CA ASN A 119 -4.614 5.277 0.894 1.00 0.52 C ATOM 1786 C ASN A 119 -4.924 6.202 2.073 1.00 0.51 C ATOM 1787 O ASN A 119 -5.106 5.710 3.190 1.00 0.57 O ATOM 1788 CB ASN A 119 -5.560 4.068 0.838 1.00 0.60 C ATOM 1789 CG ASN A 119 -6.739 4.304 -0.097 1.00 0.98 C ATOM 1790 OD1 ASN A 119 -6.901 3.577 -1.071 1.00 2.37 O ATOM 1791 ND2 ASN A 119 -7.561 5.320 0.150 1.00 2.09 N ATOM 0 H ASN A 119 -3.161 3.909 1.497 1.00 0.54 H new ATOM 0 HA ASN A 119 -4.753 5.838 -0.030 1.00 0.52 H new ATOM 0 HB2 ASN A 119 -5.006 3.190 0.507 1.00 0.60 H new ATOM 0 HB3 ASN A 119 -5.931 3.852 1.840 1.00 0.60 H new ATOM 0 HD21 ASN A 119 -8.344 5.506 -0.477 1.00 2.09 H new ATOM 0 HD22 ASN A 119 -7.408 5.913 0.966 1.00 2.09 H new ATOM 1798 N PRO A 120 -5.042 7.526 1.868 1.00 0.49 N ATOM 1799 CA PRO A 120 -5.200 8.477 2.962 1.00 0.50 C ATOM 1800 C PRO A 120 -6.595 8.401 3.604 1.00 0.53 C ATOM 1801 O PRO A 120 -6.920 9.223 4.457 1.00 0.59 O ATOM 1802 CB PRO A 120 -4.934 9.845 2.331 1.00 0.53 C ATOM 1803 CG PRO A 120 -5.468 9.664 0.912 1.00 0.53 C ATOM 1804 CD PRO A 120 -5.062 8.226 0.589 1.00 0.50 C ATOM 0 HA PRO A 120 -4.513 8.265 3.781 1.00 0.50 H new ATOM 0 HB2 PRO A 120 -5.453 10.644 2.861 1.00 0.53 H new ATOM 0 HB3 PRO A 120 -3.873 10.095 2.337 1.00 0.53 H new ATOM 0 HG2 PRO A 120 -6.548 9.802 0.864 1.00 0.53 H new ATOM 0 HG3 PRO A 120 -5.025 10.377 0.217 1.00 0.53 H new ATOM 0 HD2 PRO A 120 -5.770 7.764 -0.099 1.00 0.50 H new ATOM 0 HD3 PRO A 120 -4.084 8.193 0.109 1.00 0.50 H new ATOM 1812 N LYS A 121 -7.430 7.437 3.189 1.00 0.61 N ATOM 1813 CA LYS A 121 -8.717 7.154 3.817 1.00 0.66 C ATOM 1814 C LYS A 121 -8.561 6.027 4.841 1.00 0.65 C ATOM 1815 O LYS A 121 -9.192 6.068 5.895 1.00 0.81 O ATOM 1816 CB LYS A 121 -9.794 6.942 2.734 1.00 0.78 C ATOM 1817 CG LYS A 121 -10.267 5.504 2.475 1.00 2.10 C ATOM 1818 CD LYS A 121 -11.284 5.012 3.527 1.00 3.82 C ATOM 1819 CE LYS A 121 -12.097 3.766 3.095 1.00 5.76 C ATOM 1820 NZ LYS A 121 -13.440 4.042 2.534 1.00 6.68 N ATOM 0 H LYS A 121 -7.223 6.828 2.398 1.00 0.61 H new ATOM 0 HA LYS A 121 -9.074 8.005 4.397 1.00 0.66 H new ATOM 0 HB2 LYS A 121 -10.665 7.539 3.005 1.00 0.78 H new ATOM 0 HB3 LYS A 121 -9.411 7.344 1.796 1.00 0.78 H new ATOM 0 HG2 LYS A 121 -10.719 5.448 1.485 1.00 2.10 H new ATOM 0 HG3 LYS A 121 -9.404 4.838 2.470 1.00 2.10 H new ATOM 0 HD2 LYS A 121 -10.752 4.782 4.450 1.00 3.82 H new ATOM 0 HD3 LYS A 121 -11.977 5.823 3.752 1.00 3.82 H new ATOM 0 HE2 LYS A 121 -11.519 3.216 2.353 1.00 5.76 H new ATOM 0 HE3 LYS A 121 -12.211 3.111 3.959 1.00 5.76 H new ATOM 0 HZ1 LYS A 121 -13.977 3.154 2.467 1.00 6.68 H new ATOM 0 HZ2 LYS A 121 -13.945 4.706 3.154 1.00 6.68 H new ATOM 0 HZ3 LYS A 121 -13.341 4.460 1.587 1.00 6.68 H new ATOM 1834 N GLU A 122 -7.744 5.018 4.525 1.00 0.59 N ATOM 1835 CA GLU A 122 -7.562 3.844 5.369 1.00 0.59 C ATOM 1836 C GLU A 122 -6.537 4.157 6.472 1.00 0.54 C ATOM 1837 O GLU A 122 -6.684 3.675 7.592 1.00 0.62 O ATOM 1838 CB GLU A 122 -7.167 2.626 4.504 1.00 0.66 C ATOM 1839 CG GLU A 122 -8.211 1.491 4.447 1.00 0.74 C ATOM 1840 CD GLU A 122 -9.414 1.796 3.559 1.00 1.83 C ATOM 1841 OE1 GLU A 122 -9.196 2.439 2.510 1.00 2.96 O ATOM 1842 OE2 GLU A 122 -10.538 1.368 3.910 1.00 2.74 O ATOM 0 H GLU A 122 -7.189 4.997 3.670 1.00 0.59 H new ATOM 0 HA GLU A 122 -8.498 3.585 5.864 1.00 0.59 H new ATOM 0 HB2 GLU A 122 -6.973 2.970 3.488 1.00 0.66 H new ATOM 0 HB3 GLU A 122 -6.231 2.218 4.886 1.00 0.66 H new ATOM 0 HG2 GLU A 122 -7.727 0.584 4.085 1.00 0.74 H new ATOM 0 HG3 GLU A 122 -8.562 1.284 5.458 1.00 0.74 H new ATOM 1849 N ALA A 123 -5.511 4.971 6.175 1.00 0.53 N ATOM 1850 CA ALA A 123 -4.508 5.401 7.153 1.00 0.50 C ATOM 1851 C ALA A 123 -4.222 6.900 6.994 1.00 0.47 C ATOM 1852 O ALA A 123 -4.850 7.559 6.170 1.00 0.50 O ATOM 1853 CB ALA A 123 -3.244 4.550 6.988 1.00 0.50 C ATOM 0 H ALA A 123 -5.356 5.350 5.241 1.00 0.53 H new ATOM 0 HA ALA A 123 -4.884 5.253 8.165 1.00 0.50 H new ATOM 0 HB1 ALA A 123 -2.495 4.867 7.714 1.00 0.50 H new ATOM 0 HB2 ALA A 123 -3.488 3.500 7.153 1.00 0.50 H new ATOM 0 HB3 ALA A 123 -2.849 4.677 5.980 1.00 0.50 H new ATOM 1859 N SER A 124 -3.277 7.451 7.768 1.00 0.44 N ATOM 1860 CA SER A 124 -2.857 8.851 7.696 1.00 0.41 C ATOM 1861 C SER A 124 -1.452 8.978 8.295 1.00 0.41 C ATOM 1862 O SER A 124 -0.941 8.016 8.864 1.00 0.44 O ATOM 1863 CB SER A 124 -3.862 9.741 8.438 1.00 0.47 C ATOM 1864 OG SER A 124 -3.587 11.106 8.178 1.00 2.29 O ATOM 0 H SER A 124 -2.773 6.920 8.478 1.00 0.44 H new ATOM 0 HA SER A 124 -2.828 9.181 6.658 1.00 0.41 H new ATOM 0 HB2 SER A 124 -4.877 9.500 8.121 1.00 0.47 H new ATOM 0 HB3 SER A 124 -3.808 9.549 9.510 1.00 0.47 H new ATOM 0 HG SER A 124 -4.234 11.667 8.654 1.00 2.29 H new ATOM 1870 N VAL A 125 -0.835 10.159 8.218 1.00 0.48 N ATOM 1871 CA VAL A 125 0.472 10.462 8.753 1.00 0.54 C ATOM 1872 C VAL A 125 0.679 9.989 10.192 1.00 0.55 C ATOM 1873 O VAL A 125 1.776 9.561 10.533 1.00 0.56 O ATOM 1874 CB VAL A 125 0.717 11.965 8.604 1.00 0.64 C ATOM 1875 CG1 VAL A 125 0.713 12.361 7.124 1.00 1.74 C ATOM 1876 CG2 VAL A 125 -0.261 12.859 9.378 1.00 2.27 C ATOM 0 H VAL A 125 -1.263 10.961 7.756 1.00 0.48 H new ATOM 0 HA VAL A 125 1.210 9.901 8.180 1.00 0.54 H new ATOM 0 HB VAL A 125 1.696 12.138 9.050 1.00 0.64 H new ATOM 0 HG11 VAL A 125 0.888 13.433 7.034 1.00 1.74 H new ATOM 0 HG12 VAL A 125 1.500 11.819 6.600 1.00 1.74 H new ATOM 0 HG13 VAL A 125 -0.253 12.113 6.684 1.00 1.74 H new ATOM 0 HG21 VAL A 125 -0.007 13.906 9.211 1.00 2.27 H new ATOM 0 HG22 VAL A 125 -1.277 12.672 9.031 1.00 2.27 H new ATOM 0 HG23 VAL A 125 -0.194 12.635 10.443 1.00 2.27 H new ATOM 1886 N SER A 126 -0.351 10.043 11.039 1.00 0.60 N ATOM 1887 CA SER A 126 -0.305 9.506 12.392 1.00 0.70 C ATOM 1888 C SER A 126 0.200 8.056 12.406 1.00 0.63 C ATOM 1889 O SER A 126 1.004 7.674 13.253 1.00 0.73 O ATOM 1890 CB SER A 126 -1.714 9.597 12.981 1.00 0.85 C ATOM 1891 OG SER A 126 -2.277 10.852 12.642 1.00 0.96 O ATOM 0 H SER A 126 -1.247 10.466 10.798 1.00 0.60 H new ATOM 0 HA SER A 126 0.396 10.086 12.993 1.00 0.70 H new ATOM 0 HB2 SER A 126 -2.336 8.789 12.595 1.00 0.85 H new ATOM 0 HB3 SER A 126 -1.677 9.481 14.064 1.00 0.85 H new ATOM 0 HG SER A 126 -3.181 10.916 13.015 1.00 0.96 H new ATOM 1897 N ASP A 127 -0.266 7.258 11.444 1.00 0.54 N ATOM 1898 CA ASP A 127 0.103 5.855 11.317 1.00 0.58 C ATOM 1899 C ASP A 127 1.574 5.755 10.908 1.00 0.53 C ATOM 1900 O ASP A 127 2.342 4.960 11.440 1.00 0.69 O ATOM 1901 CB ASP A 127 -0.816 5.192 10.280 1.00 0.58 C ATOM 1902 CG ASP A 127 -0.605 3.690 10.167 1.00 0.94 C ATOM 1903 OD1 ASP A 127 -0.062 3.102 11.123 1.00 1.51 O ATOM 1904 OD2 ASP A 127 -1.007 3.156 9.112 1.00 2.03 O ATOM 0 H ASP A 127 -0.917 7.575 10.726 1.00 0.54 H new ATOM 0 HA ASP A 127 -0.019 5.336 12.268 1.00 0.58 H new ATOM 0 HB2 ASP A 127 -1.855 5.388 10.547 1.00 0.58 H new ATOM 0 HB3 ASP A 127 -0.645 5.651 9.306 1.00 0.58 H new ATOM 1909 N LEU A 128 1.993 6.623 9.987 1.00 0.40 N ATOM 1910 CA LEU A 128 3.368 6.662 9.505 1.00 0.41 C ATOM 1911 C LEU A 128 4.306 7.032 10.650 1.00 0.42 C ATOM 1912 O LEU A 128 5.357 6.417 10.814 1.00 0.40 O ATOM 1913 CB LEU A 128 3.522 7.637 8.334 1.00 0.53 C ATOM 1914 CG LEU A 128 2.533 7.385 7.189 1.00 0.76 C ATOM 1915 CD1 LEU A 128 2.918 8.291 6.018 1.00 0.95 C ATOM 1916 CD2 LEU A 128 2.517 5.926 6.718 1.00 0.85 C ATOM 0 H LEU A 128 1.385 7.319 9.555 1.00 0.40 H new ATOM 0 HA LEU A 128 3.633 5.671 9.137 1.00 0.41 H new ATOM 0 HB2 LEU A 128 3.389 8.655 8.700 1.00 0.53 H new ATOM 0 HB3 LEU A 128 4.538 7.568 7.946 1.00 0.53 H new ATOM 0 HG LEU A 128 1.531 7.606 7.558 1.00 0.76 H new ATOM 0 HD11 LEU A 128 2.227 8.129 5.190 1.00 0.95 H new ATOM 0 HD12 LEU A 128 2.869 9.333 6.333 1.00 0.95 H new ATOM 0 HD13 LEU A 128 3.932 8.057 5.695 1.00 0.95 H new ATOM 0 HD21 LEU A 128 1.797 5.813 5.907 1.00 0.85 H new ATOM 0 HD22 LEU A 128 3.509 5.647 6.364 1.00 0.85 H new ATOM 0 HD23 LEU A 128 2.233 5.279 7.548 1.00 0.85 H new ATOM 1928 N LYS A 129 3.915 8.031 11.447 1.00 0.54 N ATOM 1929 CA LYS A 129 4.603 8.403 12.670 1.00 0.71 C ATOM 1930 C LYS A 129 4.728 7.161 13.557 1.00 0.76 C ATOM 1931 O LYS A 129 5.836 6.704 13.809 1.00 0.86 O ATOM 1932 CB LYS A 129 3.867 9.551 13.372 1.00 1.01 C ATOM 1933 CG LYS A 129 3.890 10.853 12.552 1.00 1.16 C ATOM 1934 CD LYS A 129 4.961 11.814 13.083 1.00 1.30 C ATOM 1935 CE LYS A 129 4.892 13.159 12.348 1.00 1.69 C ATOM 1936 NZ LYS A 129 5.925 14.101 12.825 1.00 3.16 N ATOM 0 H LYS A 129 3.097 8.608 11.250 1.00 0.54 H new ATOM 0 HA LYS A 129 5.605 8.769 12.447 1.00 0.71 H new ATOM 0 HB2 LYS A 129 2.833 9.258 13.554 1.00 1.01 H new ATOM 0 HB3 LYS A 129 4.324 9.730 14.345 1.00 1.01 H new ATOM 0 HG2 LYS A 129 4.087 10.625 11.505 1.00 1.16 H new ATOM 0 HG3 LYS A 129 2.912 11.332 12.595 1.00 1.16 H new ATOM 0 HD2 LYS A 129 4.819 11.970 14.152 1.00 1.30 H new ATOM 0 HD3 LYS A 129 5.949 11.373 12.954 1.00 1.30 H new ATOM 0 HE2 LYS A 129 5.017 12.995 11.278 1.00 1.69 H new ATOM 0 HE3 LYS A 129 3.905 13.600 12.490 1.00 1.69 H new ATOM 0 HZ1 LYS A 129 5.845 14.997 12.304 1.00 3.16 H new ATOM 0 HZ2 LYS A 129 5.791 14.278 13.841 1.00 3.16 H new ATOM 0 HZ3 LYS A 129 6.868 13.692 12.667 1.00 3.16 H new ATOM 1950 N GLU A 130 3.605 6.558 13.957 1.00 0.77 N ATOM 1951 CA GLU A 130 3.631 5.358 14.798 1.00 0.94 C ATOM 1952 C GLU A 130 4.579 4.289 14.233 1.00 0.86 C ATOM 1953 O GLU A 130 5.399 3.704 14.944 1.00 1.00 O ATOM 1954 CB GLU A 130 2.204 4.810 14.944 1.00 1.09 C ATOM 1955 CG GLU A 130 1.445 5.513 16.082 1.00 1.20 C ATOM 1956 CD GLU A 130 1.824 5.001 17.472 1.00 1.62 C ATOM 1957 OE1 GLU A 130 2.604 4.025 17.548 1.00 2.16 O ATOM 1958 OE2 GLU A 130 1.300 5.588 18.443 1.00 2.73 O ATOM 0 H GLU A 130 2.669 6.880 13.713 1.00 0.77 H new ATOM 0 HA GLU A 130 4.014 5.630 15.781 1.00 0.94 H new ATOM 0 HB2 GLU A 130 1.664 4.945 14.007 1.00 1.09 H new ATOM 0 HB3 GLU A 130 2.243 3.738 15.138 1.00 1.09 H new ATOM 0 HG2 GLU A 130 1.641 6.584 16.032 1.00 1.20 H new ATOM 0 HG3 GLU A 130 0.374 5.377 15.933 1.00 1.20 H new ATOM 1965 N ALA A 131 4.479 4.040 12.928 1.00 0.71 N ATOM 1966 CA ALA A 131 5.237 3.012 12.245 1.00 0.74 C ATOM 1967 C ALA A 131 6.729 3.328 12.266 1.00 0.75 C ATOM 1968 O ALA A 131 7.539 2.441 12.525 1.00 1.04 O ATOM 1969 CB ALA A 131 4.720 2.857 10.813 1.00 0.69 C ATOM 0 H ALA A 131 3.855 4.561 12.311 1.00 0.71 H new ATOM 0 HA ALA A 131 5.101 2.065 12.768 1.00 0.74 H new ATOM 0 HB1 ALA A 131 5.292 2.083 10.301 1.00 0.69 H new ATOM 0 HB2 ALA A 131 3.667 2.576 10.835 1.00 0.69 H new ATOM 0 HB3 ALA A 131 4.832 3.802 10.281 1.00 0.69 H new ATOM 1975 N VAL A 132 7.114 4.573 11.976 1.00 0.50 N ATOM 1976 CA VAL A 132 8.519 4.938 11.947 1.00 0.47 C ATOM 1977 C VAL A 132 9.080 4.951 13.373 1.00 0.69 C ATOM 1978 O VAL A 132 10.185 4.460 13.618 1.00 0.86 O ATOM 1979 CB VAL A 132 8.746 6.233 11.150 1.00 0.38 C ATOM 1980 CG1 VAL A 132 8.428 7.506 11.939 1.00 1.65 C ATOM 1981 CG2 VAL A 132 10.193 6.234 10.648 1.00 1.53 C ATOM 0 H VAL A 132 6.472 5.336 11.760 1.00 0.50 H new ATOM 0 HA VAL A 132 9.090 4.185 11.404 1.00 0.47 H new ATOM 0 HB VAL A 132 8.047 6.245 10.313 1.00 0.38 H new ATOM 0 HG11 VAL A 132 8.612 8.378 11.312 1.00 1.65 H new ATOM 0 HG12 VAL A 132 7.382 7.493 12.244 1.00 1.65 H new ATOM 0 HG13 VAL A 132 9.064 7.554 12.823 1.00 1.65 H new ATOM 0 HG21 VAL A 132 10.380 7.144 10.078 1.00 1.53 H new ATOM 0 HG22 VAL A 132 10.873 6.192 11.499 1.00 1.53 H new ATOM 0 HG23 VAL A 132 10.357 5.366 10.009 1.00 1.53 H new ATOM 1991 N ASP A 133 8.296 5.457 14.327 1.00 0.73 N ATOM 1992 CA ASP A 133 8.665 5.482 15.726 1.00 0.92 C ATOM 1993 C ASP A 133 8.890 4.050 16.220 1.00 1.02 C ATOM 1994 O ASP A 133 9.845 3.788 16.947 1.00 1.15 O ATOM 1995 CB ASP A 133 7.596 6.235 16.530 1.00 0.92 C ATOM 1996 CG ASP A 133 7.822 7.746 16.518 1.00 1.45 C ATOM 1997 OD1 ASP A 133 8.793 8.171 17.182 1.00 1.95 O ATOM 1998 OD2 ASP A 133 7.031 8.460 15.861 1.00 2.83 O ATOM 0 H ASP A 133 7.379 5.863 14.138 1.00 0.73 H new ATOM 0 HA ASP A 133 9.602 6.020 15.866 1.00 0.92 H new ATOM 0 HB2 ASP A 133 6.611 6.013 16.118 1.00 0.92 H new ATOM 0 HB3 ASP A 133 7.599 5.877 17.560 1.00 0.92 H new ATOM 2003 N LYS A 134 8.062 3.100 15.771 1.00 1.02 N ATOM 2004 CA LYS A 134 8.275 1.681 16.036 1.00 1.15 C ATOM 2005 C LYS A 134 9.643 1.162 15.559 1.00 1.07 C ATOM 2006 O LYS A 134 10.145 0.208 16.151 1.00 1.37 O ATOM 2007 CB LYS A 134 7.126 0.836 15.460 1.00 1.26 C ATOM 2008 CG LYS A 134 5.921 0.730 16.405 1.00 1.43 C ATOM 2009 CD LYS A 134 6.211 -0.254 17.554 1.00 1.93 C ATOM 2010 CE LYS A 134 4.985 -0.523 18.438 1.00 2.15 C ATOM 2011 NZ LYS A 134 3.917 -1.253 17.724 1.00 3.27 N ATOM 0 H LYS A 134 7.229 3.297 15.216 1.00 1.02 H new ATOM 0 HA LYS A 134 8.280 1.573 17.121 1.00 1.15 H new ATOM 0 HB2 LYS A 134 6.801 1.272 14.515 1.00 1.26 H new ATOM 0 HB3 LYS A 134 7.495 -0.165 15.239 1.00 1.26 H new ATOM 0 HG2 LYS A 134 5.686 1.713 16.813 1.00 1.43 H new ATOM 0 HG3 LYS A 134 5.045 0.398 15.848 1.00 1.43 H new ATOM 0 HD2 LYS A 134 6.565 -1.197 17.137 1.00 1.93 H new ATOM 0 HD3 LYS A 134 7.017 0.144 18.171 1.00 1.93 H new ATOM 0 HE2 LYS A 134 5.291 -1.098 19.312 1.00 2.15 H new ATOM 0 HE3 LYS A 134 4.590 0.425 18.803 1.00 2.15 H new ATOM 0 HZ1 LYS A 134 3.174 -1.527 18.398 1.00 3.27 H new ATOM 0 HZ2 LYS A 134 3.509 -0.640 16.989 1.00 3.27 H new ATOM 0 HZ3 LYS A 134 4.315 -2.106 17.282 1.00 3.27 H new ATOM 2025 N LEU A 135 10.258 1.738 14.517 1.00 0.80 N ATOM 2026 CA LEU A 135 11.652 1.417 14.200 1.00 0.78 C ATOM 2027 C LEU A 135 12.579 2.204 15.127 1.00 0.81 C ATOM 2028 O LEU A 135 13.560 1.657 15.628 1.00 1.24 O ATOM 2029 CB LEU A 135 12.034 1.758 12.753 1.00 0.92 C ATOM 2030 CG LEU A 135 11.503 0.856 11.632 1.00 0.82 C ATOM 2031 CD1 LEU A 135 11.859 -0.623 11.802 1.00 0.68 C ATOM 2032 CD2 LEU A 135 10.002 1.023 11.445 1.00 1.13 C ATOM 0 H LEU A 135 9.821 2.415 13.892 1.00 0.80 H new ATOM 0 HA LEU A 135 11.760 0.341 14.335 1.00 0.78 H new ATOM 0 HB2 LEU A 135 11.697 2.775 12.550 1.00 0.92 H new ATOM 0 HB3 LEU A 135 13.122 1.764 12.688 1.00 0.92 H new ATOM 0 HG LEU A 135 12.014 1.193 10.730 1.00 0.82 H new ATOM 0 HD11 LEU A 135 11.448 -1.194 10.970 1.00 0.68 H new ATOM 0 HD12 LEU A 135 12.943 -0.737 11.820 1.00 0.68 H new ATOM 0 HD13 LEU A 135 11.440 -0.993 12.738 1.00 0.68 H new ATOM 0 HD21 LEU A 135 9.660 0.369 10.643 1.00 1.13 H new ATOM 0 HD22 LEU A 135 9.489 0.761 12.370 1.00 1.13 H new ATOM 0 HD23 LEU A 135 9.780 2.059 11.188 1.00 1.13 H new ATOM 2044 N GLY A 136 12.289 3.496 15.292 1.00 0.63 N ATOM 2045 CA GLY A 136 13.076 4.431 16.081 1.00 0.59 C ATOM 2046 C GLY A 136 13.798 5.422 15.168 1.00 0.60 C ATOM 2047 O GLY A 136 15.006 5.612 15.287 1.00 0.75 O ATOM 0 H GLY A 136 11.471 3.930 14.863 1.00 0.63 H new ATOM 0 HA2 GLY A 136 12.428 4.969 16.772 1.00 0.59 H new ATOM 0 HA3 GLY A 136 13.802 3.886 16.684 1.00 0.59 H new ATOM 2051 N TYR A 137 13.049 6.062 14.266 1.00 0.54 N ATOM 2052 CA TYR A 137 13.487 7.191 13.449 1.00 0.56 C ATOM 2053 C TYR A 137 12.293 8.142 13.364 1.00 0.65 C ATOM 2054 O TYR A 137 11.259 7.832 13.950 1.00 0.85 O ATOM 2055 CB TYR A 137 13.918 6.718 12.056 1.00 0.52 C ATOM 2056 CG TYR A 137 14.861 5.530 12.046 1.00 0.52 C ATOM 2057 CD1 TYR A 137 16.203 5.675 12.448 1.00 1.80 C ATOM 2058 CD2 TYR A 137 14.372 4.261 11.700 1.00 1.76 C ATOM 2059 CE1 TYR A 137 17.041 4.548 12.512 1.00 1.91 C ATOM 2060 CE2 TYR A 137 15.228 3.148 11.698 1.00 1.70 C ATOM 2061 CZ TYR A 137 16.549 3.282 12.149 1.00 0.74 C ATOM 2062 OH TYR A 137 17.368 2.194 12.128 1.00 0.95 O ATOM 0 H TYR A 137 12.082 5.795 14.079 1.00 0.54 H new ATOM 0 HA TYR A 137 14.352 7.688 13.887 1.00 0.56 H new ATOM 0 HB2 TYR A 137 13.026 6.460 11.484 1.00 0.52 H new ATOM 0 HB3 TYR A 137 14.399 7.549 11.539 1.00 0.52 H new ATOM 0 HD1 TYR A 137 16.588 6.650 12.707 1.00 1.80 H new ATOM 0 HD2 TYR A 137 13.332 4.140 11.434 1.00 1.76 H new ATOM 0 HE1 TYR A 137 18.064 4.655 12.841 1.00 1.91 H new ATOM 0 HE2 TYR A 137 14.870 2.191 11.350 1.00 1.70 H new ATOM 0 HH TYR A 137 18.137 2.375 11.549 1.00 0.95 H new ATOM 2072 N LYS A 138 12.397 9.271 12.650 1.00 0.61 N ATOM 2073 CA LYS A 138 11.313 10.239 12.587 1.00 0.65 C ATOM 2074 C LYS A 138 11.148 10.740 11.152 1.00 0.52 C ATOM 2075 O LYS A 138 12.141 11.003 10.464 1.00 0.51 O ATOM 2076 CB LYS A 138 11.600 11.361 13.589 1.00 0.82 C ATOM 2077 CG LYS A 138 12.800 12.203 13.152 1.00 0.89 C ATOM 2078 CD LYS A 138 13.365 12.998 14.328 1.00 1.55 C ATOM 2079 CE LYS A 138 14.126 14.200 13.768 1.00 2.03 C ATOM 2080 NZ LYS A 138 14.747 15.075 14.776 1.00 2.77 N ATOM 0 H LYS A 138 13.224 9.529 12.111 1.00 0.61 H new ATOM 0 HA LYS A 138 10.362 9.784 12.865 1.00 0.65 H new ATOM 0 HB2 LYS A 138 10.721 11.999 13.686 1.00 0.82 H new ATOM 0 HB3 LYS A 138 11.793 10.933 14.573 1.00 0.82 H new ATOM 0 HG2 LYS A 138 13.574 11.555 12.741 1.00 0.89 H new ATOM 0 HG3 LYS A 138 12.500 12.886 12.357 1.00 0.89 H new ATOM 0 HD2 LYS A 138 12.561 13.329 14.985 1.00 1.55 H new ATOM 0 HD3 LYS A 138 14.028 12.373 14.926 1.00 1.55 H new ATOM 0 HE2 LYS A 138 14.904 13.836 13.097 1.00 2.03 H new ATOM 0 HE3 LYS A 138 13.440 14.796 13.166 1.00 2.03 H new ATOM 0 HZ1 LYS A 138 15.090 15.943 14.318 1.00 2.77 H new ATOM 0 HZ2 LYS A 138 14.044 15.321 15.502 1.00 2.77 H new ATOM 0 HZ3 LYS A 138 15.546 14.579 15.221 1.00 2.77 H new ATOM 2094 N LEU A 139 9.890 10.864 10.719 1.00 0.53 N ATOM 2095 CA LEU A 139 9.519 11.372 9.410 1.00 0.52 C ATOM 2096 C LEU A 139 9.124 12.840 9.502 1.00 0.53 C ATOM 2097 O LEU A 139 8.549 13.288 10.500 1.00 0.64 O ATOM 2098 CB LEU A 139 8.347 10.580 8.828 1.00 0.76 C ATOM 2099 CG LEU A 139 8.721 9.142 8.459 1.00 0.45 C ATOM 2100 CD1 LEU A 139 7.438 8.388 8.123 1.00 1.43 C ATOM 2101 CD2 LEU A 139 9.685 9.047 7.274 1.00 1.13 C ATOM 0 H LEU A 139 9.086 10.605 11.290 1.00 0.53 H new ATOM 0 HA LEU A 139 10.385 11.264 8.757 1.00 0.52 H new ATOM 0 HB2 LEU A 139 7.532 10.563 9.552 1.00 0.76 H new ATOM 0 HB3 LEU A 139 7.975 11.092 7.941 1.00 0.76 H new ATOM 0 HG LEU A 139 9.238 8.707 9.314 1.00 0.45 H new ATOM 0 HD11 LEU A 139 7.680 7.359 7.856 1.00 1.43 H new ATOM 0 HD12 LEU A 139 6.776 8.393 8.989 1.00 1.43 H new ATOM 0 HD13 LEU A 139 6.940 8.873 7.283 1.00 1.43 H new ATOM 0 HD21 LEU A 139 9.906 8.000 7.068 1.00 1.13 H new ATOM 0 HD22 LEU A 139 9.227 9.501 6.395 1.00 1.13 H new ATOM 0 HD23 LEU A 139 10.609 9.573 7.514 1.00 1.13 H new ATOM 2113 N LYS A 140 9.398 13.557 8.416 1.00 0.50 N ATOM 2114 CA LYS A 140 8.941 14.909 8.141 1.00 0.52 C ATOM 2115 C LYS A 140 8.273 14.912 6.768 1.00 0.46 C ATOM 2116 O LYS A 140 8.293 13.899 6.074 1.00 0.47 O ATOM 2117 CB LYS A 140 10.120 15.882 8.177 1.00 0.61 C ATOM 2118 CG LYS A 140 10.922 15.712 9.467 1.00 0.84 C ATOM 2119 CD LYS A 140 11.876 16.886 9.668 1.00 1.63 C ATOM 2120 CE LYS A 140 11.188 18.128 10.249 1.00 1.56 C ATOM 2121 NZ LYS A 140 12.118 19.273 10.258 1.00 2.11 N ATOM 0 H LYS A 140 9.978 13.186 7.664 1.00 0.50 H new ATOM 0 HA LYS A 140 8.226 15.231 8.898 1.00 0.52 H new ATOM 0 HB2 LYS A 140 10.766 15.710 7.316 1.00 0.61 H new ATOM 0 HB3 LYS A 140 9.755 16.906 8.102 1.00 0.61 H new ATOM 0 HG2 LYS A 140 10.243 15.639 10.316 1.00 0.84 H new ATOM 0 HG3 LYS A 140 11.487 14.780 9.430 1.00 0.84 H new ATOM 0 HD2 LYS A 140 12.683 16.580 10.334 1.00 1.63 H new ATOM 0 HD3 LYS A 140 12.331 17.144 8.712 1.00 1.63 H new ATOM 0 HE2 LYS A 140 10.305 18.373 9.658 1.00 1.56 H new ATOM 0 HE3 LYS A 140 10.846 17.921 11.263 1.00 1.56 H new ATOM 0 HZ1 LYS A 140 11.638 20.107 10.654 1.00 2.11 H new ATOM 0 HZ2 LYS A 140 12.948 19.042 10.841 1.00 2.11 H new ATOM 0 HZ3 LYS A 140 12.424 19.479 9.286 1.00 2.11 H new ATOM 2135 N LEU A 141 7.671 16.038 6.386 1.00 0.50 N ATOM 2136 CA LEU A 141 6.838 16.154 5.200 1.00 0.47 C ATOM 2137 C LEU A 141 7.492 17.118 4.217 1.00 0.54 C ATOM 2138 O LEU A 141 7.830 18.240 4.600 1.00 0.79 O ATOM 2139 CB LEU A 141 5.462 16.687 5.605 1.00 0.56 C ATOM 2140 CG LEU A 141 4.776 15.810 6.665 1.00 0.80 C ATOM 2141 CD1 LEU A 141 4.945 16.394 8.074 1.00 1.14 C ATOM 2142 CD2 LEU A 141 3.285 15.697 6.340 1.00 1.59 C ATOM 0 H LEU A 141 7.754 16.911 6.907 1.00 0.50 H new ATOM 0 HA LEU A 141 6.727 15.178 4.728 1.00 0.47 H new ATOM 0 HB2 LEU A 141 5.569 17.701 5.991 1.00 0.56 H new ATOM 0 HB3 LEU A 141 4.826 16.748 4.722 1.00 0.56 H new ATOM 0 HG LEU A 141 5.245 14.826 6.647 1.00 0.80 H new ATOM 0 HD11 LEU A 141 4.448 15.748 8.798 1.00 1.14 H new ATOM 0 HD12 LEU A 141 6.006 16.460 8.316 1.00 1.14 H new ATOM 0 HD13 LEU A 141 4.502 17.389 8.111 1.00 1.14 H new ATOM 0 HD21 LEU A 141 2.795 15.076 7.090 1.00 1.59 H new ATOM 0 HD22 LEU A 141 2.836 16.690 6.342 1.00 1.59 H new ATOM 0 HD23 LEU A 141 3.160 15.245 5.356 1.00 1.59 H new ATOM 2154 N LYS A 142 7.650 16.727 2.949 1.00 0.49 N ATOM 2155 CA LYS A 142 8.245 17.621 1.967 1.00 0.63 C ATOM 2156 C LYS A 142 7.185 18.578 1.436 1.00 0.90 C ATOM 2157 O LYS A 142 6.640 18.401 0.349 1.00 1.13 O ATOM 2158 CB LYS A 142 8.926 16.821 0.857 1.00 0.71 C ATOM 2159 CG LYS A 142 10.028 15.967 1.491 1.00 1.02 C ATOM 2160 CD LYS A 142 11.185 15.658 0.538 1.00 1.23 C ATOM 2161 CE LYS A 142 12.179 16.832 0.475 1.00 1.98 C ATOM 2162 NZ LYS A 142 13.370 16.523 -0.342 1.00 2.98 N ATOM 0 H LYS A 142 7.378 15.813 2.588 1.00 0.49 H new ATOM 0 HA LYS A 142 9.022 18.222 2.439 1.00 0.63 H new ATOM 0 HB2 LYS A 142 8.201 16.188 0.345 1.00 0.71 H new ATOM 0 HB3 LYS A 142 9.348 17.492 0.109 1.00 0.71 H new ATOM 0 HG2 LYS A 142 10.418 16.484 2.368 1.00 1.02 H new ATOM 0 HG3 LYS A 142 9.595 15.030 1.840 1.00 1.02 H new ATOM 0 HD2 LYS A 142 11.702 14.757 0.868 1.00 1.23 H new ATOM 0 HD3 LYS A 142 10.795 15.454 -0.459 1.00 1.23 H new ATOM 0 HE2 LYS A 142 11.677 17.707 0.062 1.00 1.98 H new ATOM 0 HE3 LYS A 142 12.493 17.092 1.486 1.00 1.98 H new ATOM 0 HZ1 LYS A 142 13.922 17.391 -0.493 1.00 2.98 H new ATOM 0 HZ2 LYS A 142 13.957 15.821 0.152 1.00 2.98 H new ATOM 0 HZ3 LYS A 142 13.071 16.139 -1.261 1.00 2.98 H new