USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=27 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 88 CYS SG : rot -110:sc= 0.637 USER MOD Set 1.2: A 137 TYR OH : rot -57:sc= 0.0537 USER MOD Set 2.1: A 61 GLN : amide:sc= 1.55 K(o=3.5,f=-3.8!) USER MOD Set 2.2: A 104 ASN : amide:sc= 1.95 K(o=3.5,f=-1.1!) USER MOD Set 3.1: A 50 TYR OH : rot -39:sc= 0.14 USER MOD Set 3.2: A 57 THR OG1 : rot 82:sc= 0.637 USER MOD Set 4.1: A 40 ASN : amide:sc= 0 X(o=-0.34,f=-0.4) USER MOD Set 4.2: A 47 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.5!) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0.998 USER MOD Set 5.2: A 45 THR OG1 : rot 102:sc= 1.27 USER MOD Set 6.1: A 5 GLN : amide:sc= 1.7 K(o=2.9,f=-3.5) USER MOD Set 6.2: A 35 THR OG1 : rot 123:sc= 1.15 USER MOD Set 7.1: A 20 CYS SG : rot -150:sc= 0.792 USER MOD Set 7.2: A 69 TYR OH : rot -161:sc= 0.593 USER MOD Set 8.1: A 11 GLN : amide:sc= 0.109 K(o=1.2,f=-8.3!) USER MOD Set 8.2: A 121 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0) USER MOD Set 9.1: A 10 MET CE :methyl 171:sc= -0.224 (180deg=-0.43) USER MOD Set 9.2: A 73 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 6 LYS NZ :NH3+ -122:sc= 0 (180deg=-1.93!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.127 USER MOD Single : A 15 MET CE :methyl -169:sc= -5.21! (180deg=-5.44!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0206 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.52 K(o=0.52,f=-0.25) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.05) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -176:sc= -0.184 (180deg=-0.186) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 154:sc= 1.34 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 130:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.753 K(o=-0.75,f=-8.5!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.00828 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -178:sc= -0.0108 (180deg=-0.0166) USER MOD Single : A 140 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0585) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.543 -14.574 4.729 1.00 1.10 N ATOM 66 CA GLN A 5 0.634 -13.733 3.969 1.00 1.02 C ATOM 67 C GLN A 5 0.669 -12.310 4.521 1.00 1.13 C ATOM 68 O GLN A 5 0.935 -12.110 5.706 1.00 1.44 O ATOM 69 CB GLN A 5 -0.799 -14.293 4.030 1.00 1.12 C ATOM 70 CG GLN A 5 -0.901 -15.740 3.531 1.00 1.14 C ATOM 71 CD GLN A 5 -0.166 -15.901 2.207 1.00 1.22 C ATOM 72 OE1 GLN A 5 -0.552 -15.293 1.213 1.00 2.30 O ATOM 73 NE2 GLN A 5 0.924 -16.656 2.219 1.00 1.55 N ATOM 0 HA GLN A 5 0.952 -13.721 2.927 1.00 1.02 H new ATOM 0 HB2 GLN A 5 -1.159 -14.243 5.058 1.00 1.12 H new ATOM 0 HB3 GLN A 5 -1.455 -13.661 3.431 1.00 1.12 H new ATOM 0 HG2 GLN A 5 -0.478 -16.417 4.273 1.00 1.14 H new ATOM 0 HG3 GLN A 5 -1.948 -16.015 3.408 1.00 1.14 H new ATOM 0 HE21 GLN A 5 1.200 -17.140 3.073 1.00 1.55 H new ATOM 0 HE22 GLN A 5 1.487 -16.753 1.374 1.00 1.55 H new ATOM 82 N LYS A 6 0.364 -11.330 3.669 1.00 0.98 N ATOM 83 CA LYS A 6 -0.035 -10.009 4.118 1.00 0.94 C ATOM 84 C LYS A 6 -1.532 -9.851 3.883 1.00 0.77 C ATOM 85 O LYS A 6 -2.113 -10.605 3.100 1.00 0.93 O ATOM 86 CB LYS A 6 0.758 -8.913 3.389 1.00 1.11 C ATOM 87 CG LYS A 6 0.395 -8.759 1.899 1.00 1.26 C ATOM 88 CD LYS A 6 0.817 -7.381 1.371 1.00 1.61 C ATOM 89 CE LYS A 6 2.286 -7.359 0.932 1.00 1.28 C ATOM 90 NZ LYS A 6 2.759 -6.006 0.566 1.00 2.28 N ATOM 0 H LYS A 6 0.388 -11.436 2.655 1.00 0.98 H new ATOM 0 HA LYS A 6 0.182 -9.903 5.181 1.00 0.94 H new ATOM 0 HB2 LYS A 6 0.590 -7.961 3.893 1.00 1.11 H new ATOM 0 HB3 LYS A 6 1.822 -9.134 3.472 1.00 1.11 H new ATOM 0 HG2 LYS A 6 0.885 -9.541 1.319 1.00 1.26 H new ATOM 0 HG3 LYS A 6 -0.679 -8.890 1.767 1.00 1.26 H new ATOM 0 HD2 LYS A 6 0.183 -7.106 0.528 1.00 1.61 H new ATOM 0 HD3 LYS A 6 0.659 -6.632 2.147 1.00 1.61 H new ATOM 0 HE2 LYS A 6 2.907 -7.749 1.739 1.00 1.28 H new ATOM 0 HE3 LYS A 6 2.415 -8.026 0.080 1.00 1.28 H new ATOM 0 HZ1 LYS A 6 3.107 -6.013 -0.414 1.00 2.28 H new ATOM 0 HZ2 LYS A 6 1.974 -5.329 0.650 1.00 2.28 H new ATOM 0 HZ3 LYS A 6 3.529 -5.723 1.205 1.00 2.28 H new ATOM 104 N GLU A 7 -2.095 -8.790 4.459 1.00 0.81 N ATOM 105 CA GLU A 7 -3.403 -8.257 4.171 1.00 0.68 C ATOM 106 C GLU A 7 -3.129 -6.856 3.642 1.00 0.70 C ATOM 107 O GLU A 7 -2.246 -6.176 4.168 1.00 1.01 O ATOM 108 CB GLU A 7 -4.234 -8.187 5.459 1.00 0.77 C ATOM 109 CG GLU A 7 -4.395 -9.563 6.128 1.00 1.53 C ATOM 110 CD GLU A 7 -3.668 -9.631 7.464 1.00 1.72 C ATOM 111 OE1 GLU A 7 -4.166 -8.978 8.407 1.00 2.48 O ATOM 112 OE2 GLU A 7 -2.624 -10.313 7.512 1.00 2.49 O ATOM 0 H GLU A 7 -1.612 -8.256 5.181 1.00 0.81 H new ATOM 0 HA GLU A 7 -3.962 -8.868 3.462 1.00 0.68 H new ATOM 0 HB2 GLU A 7 -3.758 -7.499 6.158 1.00 0.77 H new ATOM 0 HB3 GLU A 7 -5.219 -7.779 5.231 1.00 0.77 H new ATOM 0 HG2 GLU A 7 -5.454 -9.772 6.280 1.00 1.53 H new ATOM 0 HG3 GLU A 7 -4.009 -10.337 5.465 1.00 1.53 H new ATOM 119 N ILE A 8 -3.842 -6.439 2.602 1.00 0.52 N ATOM 120 CA ILE A 8 -3.860 -5.062 2.150 1.00 0.53 C ATOM 121 C ILE A 8 -5.337 -4.673 2.134 1.00 0.49 C ATOM 122 O ILE A 8 -6.139 -5.414 1.564 1.00 0.58 O ATOM 123 CB ILE A 8 -3.145 -4.974 0.780 1.00 0.61 C ATOM 124 CG1 ILE A 8 -2.167 -3.792 0.729 1.00 0.80 C ATOM 125 CG2 ILE A 8 -4.109 -4.920 -0.410 1.00 1.33 C ATOM 126 CD1 ILE A 8 -0.812 -4.186 1.317 1.00 2.54 C ATOM 0 H ILE A 8 -4.430 -7.059 2.045 1.00 0.52 H new ATOM 0 HA ILE A 8 -3.321 -4.363 2.789 1.00 0.53 H new ATOM 0 HB ILE A 8 -2.582 -5.903 0.687 1.00 0.61 H new ATOM 0 HG12 ILE A 8 -2.040 -3.463 -0.302 1.00 0.80 H new ATOM 0 HG13 ILE A 8 -2.579 -2.949 1.284 1.00 0.80 H new ATOM 0 HG21 ILE A 8 -3.539 -4.859 -1.337 1.00 1.33 H new ATOM 0 HG22 ILE A 8 -4.725 -5.819 -0.421 1.00 1.33 H new ATOM 0 HG23 ILE A 8 -4.750 -4.043 -0.320 1.00 1.33 H new ATOM 0 HD11 ILE A 8 -0.134 -3.334 1.271 1.00 2.54 H new ATOM 0 HD12 ILE A 8 -0.941 -4.492 2.355 1.00 2.54 H new ATOM 0 HD13 ILE A 8 -0.394 -5.014 0.744 1.00 2.54 H new ATOM 138 N ALA A 9 -5.711 -3.567 2.786 1.00 0.52 N ATOM 139 CA ALA A 9 -7.076 -3.062 2.794 1.00 0.49 C ATOM 140 C ALA A 9 -7.033 -1.629 2.287 1.00 0.57 C ATOM 141 O ALA A 9 -6.508 -0.762 2.978 1.00 0.87 O ATOM 142 CB ALA A 9 -7.649 -3.145 4.211 1.00 0.53 C ATOM 0 H ALA A 9 -5.062 -2.995 3.327 1.00 0.52 H new ATOM 0 HA ALA A 9 -7.725 -3.656 2.150 1.00 0.49 H new ATOM 0 HB1 ALA A 9 -8.671 -2.766 4.213 1.00 0.53 H new ATOM 0 HB2 ALA A 9 -7.646 -4.183 4.544 1.00 0.53 H new ATOM 0 HB3 ALA A 9 -7.038 -2.545 4.886 1.00 0.53 H new ATOM 148 N MET A 10 -7.504 -1.383 1.063 1.00 0.37 N ATOM 149 CA MET A 10 -7.476 -0.073 0.424 1.00 0.39 C ATOM 150 C MET A 10 -8.853 0.227 -0.166 1.00 0.35 C ATOM 151 O MET A 10 -9.697 -0.663 -0.223 1.00 0.37 O ATOM 152 CB MET A 10 -6.371 -0.070 -0.639 1.00 0.43 C ATOM 153 CG MET A 10 -4.994 -0.094 0.040 1.00 0.60 C ATOM 154 SD MET A 10 -3.737 -1.161 -0.689 1.00 1.78 S ATOM 155 CE MET A 10 -3.510 -0.351 -2.276 1.00 1.65 C ATOM 0 H MET A 10 -7.924 -2.106 0.479 1.00 0.37 H new ATOM 0 HA MET A 10 -7.252 0.714 1.144 1.00 0.39 H new ATOM 0 HB2 MET A 10 -6.480 -0.936 -1.292 1.00 0.43 H new ATOM 0 HB3 MET A 10 -6.461 0.816 -1.267 1.00 0.43 H new ATOM 0 HG2 MET A 10 -4.606 0.925 0.054 1.00 0.60 H new ATOM 0 HG3 MET A 10 -5.134 -0.396 1.078 1.00 0.60 H new ATOM 0 HE1 MET A 10 -2.653 -0.788 -2.788 1.00 1.65 H new ATOM 0 HE2 MET A 10 -4.404 -0.486 -2.885 1.00 1.65 H new ATOM 0 HE3 MET A 10 -3.335 0.713 -2.119 1.00 1.65 H new ATOM 165 N GLN A 11 -9.102 1.471 -0.587 1.00 0.39 N ATOM 166 CA GLN A 11 -10.336 1.815 -1.282 1.00 0.41 C ATOM 167 C GLN A 11 -10.121 1.774 -2.791 1.00 0.44 C ATOM 168 O GLN A 11 -9.031 2.075 -3.278 1.00 0.63 O ATOM 169 CB GLN A 11 -10.862 3.191 -0.855 1.00 0.58 C ATOM 170 CG GLN A 11 -11.865 3.127 0.303 1.00 0.94 C ATOM 171 CD GLN A 11 -12.544 4.473 0.554 1.00 1.31 C ATOM 172 OE1 GLN A 11 -13.471 4.564 1.351 1.00 2.72 O ATOM 173 NE2 GLN A 11 -12.073 5.553 -0.059 1.00 2.06 N ATOM 0 H GLN A 11 -8.461 2.254 -0.456 1.00 0.39 H new ATOM 0 HA GLN A 11 -11.088 1.075 -1.009 1.00 0.41 H new ATOM 0 HB2 GLN A 11 -10.020 3.819 -0.563 1.00 0.58 H new ATOM 0 HB3 GLN A 11 -11.336 3.672 -1.711 1.00 0.58 H new ATOM 0 HG2 GLN A 11 -12.623 2.375 0.084 1.00 0.94 H new ATOM 0 HG3 GLN A 11 -11.351 2.807 1.209 1.00 0.94 H new ATOM 0 HE21 GLN A 11 -11.301 5.468 -0.721 1.00 2.06 H new ATOM 0 HE22 GLN A 11 -12.483 6.467 0.132 1.00 2.06 H new ATOM 182 N VAL A 12 -11.178 1.427 -3.520 1.00 0.41 N ATOM 183 CA VAL A 12 -11.214 1.328 -4.966 1.00 0.43 C ATOM 184 C VAL A 12 -12.400 2.151 -5.472 1.00 0.34 C ATOM 185 O VAL A 12 -13.269 2.516 -4.685 1.00 0.60 O ATOM 186 CB VAL A 12 -11.282 -0.163 -5.337 1.00 0.63 C ATOM 187 CG1 VAL A 12 -12.394 -0.909 -4.584 1.00 0.68 C ATOM 188 CG2 VAL A 12 -11.445 -0.393 -6.839 1.00 0.83 C ATOM 0 H VAL A 12 -12.075 1.197 -3.092 1.00 0.41 H new ATOM 0 HA VAL A 12 -10.323 1.735 -5.443 1.00 0.43 H new ATOM 0 HB VAL A 12 -10.319 -0.571 -5.029 1.00 0.63 H new ATOM 0 HG11 VAL A 12 -12.397 -1.957 -4.884 1.00 0.68 H new ATOM 0 HG12 VAL A 12 -12.217 -0.839 -3.511 1.00 0.68 H new ATOM 0 HG13 VAL A 12 -13.359 -0.461 -4.822 1.00 0.68 H new ATOM 0 HG21 VAL A 12 -11.487 -1.463 -7.041 1.00 0.83 H new ATOM 0 HG22 VAL A 12 -12.367 0.077 -7.181 1.00 0.83 H new ATOM 0 HG23 VAL A 12 -10.597 0.043 -7.368 1.00 0.83 H new ATOM 198 N SER A 13 -12.440 2.479 -6.762 1.00 0.53 N ATOM 199 CA SER A 13 -13.597 3.114 -7.372 1.00 0.61 C ATOM 200 C SER A 13 -13.721 2.709 -8.837 1.00 0.59 C ATOM 201 O SER A 13 -12.768 2.201 -9.436 1.00 0.94 O ATOM 202 CB SER A 13 -13.506 4.632 -7.236 1.00 0.94 C ATOM 203 OG SER A 13 -13.173 4.998 -5.910 1.00 1.59 O ATOM 0 H SER A 13 -11.670 2.311 -7.410 1.00 0.53 H new ATOM 0 HA SER A 13 -14.492 2.776 -6.849 1.00 0.61 H new ATOM 0 HB2 SER A 13 -12.755 5.019 -7.925 1.00 0.94 H new ATOM 0 HB3 SER A 13 -14.458 5.084 -7.515 1.00 0.94 H new ATOM 0 HG SER A 13 -13.118 5.974 -5.844 1.00 1.59 H new ATOM 209 N GLY A 14 -14.918 2.935 -9.384 1.00 0.67 N ATOM 210 CA GLY A 14 -15.384 2.385 -10.651 1.00 0.82 C ATOM 211 C GLY A 14 -16.464 1.324 -10.409 1.00 0.92 C ATOM 212 O GLY A 14 -17.079 0.834 -11.354 1.00 1.06 O ATOM 0 H GLY A 14 -15.614 3.531 -8.935 1.00 0.67 H new ATOM 0 HA2 GLY A 14 -15.784 3.184 -11.276 1.00 0.82 H new ATOM 0 HA3 GLY A 14 -14.547 1.944 -11.193 1.00 0.82 H new ATOM 216 N MET A 15 -16.700 0.952 -9.145 1.00 0.97 N ATOM 217 CA MET A 15 -17.661 -0.077 -8.796 1.00 1.19 C ATOM 218 C MET A 15 -19.082 0.444 -8.940 1.00 1.19 C ATOM 219 O MET A 15 -19.501 1.351 -8.229 1.00 1.40 O ATOM 220 CB MET A 15 -17.400 -0.592 -7.378 1.00 1.33 C ATOM 221 CG MET A 15 -16.072 -1.342 -7.363 1.00 1.43 C ATOM 222 SD MET A 15 -15.720 -2.290 -5.871 1.00 1.62 S ATOM 223 CE MET A 15 -14.290 -3.148 -6.545 1.00 3.31 C ATOM 0 H MET A 15 -16.224 1.362 -8.341 1.00 0.97 H new ATOM 0 HA MET A 15 -17.542 -0.913 -9.486 1.00 1.19 H new ATOM 0 HB2 MET A 15 -17.372 0.240 -6.674 1.00 1.33 H new ATOM 0 HB3 MET A 15 -18.209 -1.250 -7.061 1.00 1.33 H new ATOM 0 HG2 MET A 15 -16.051 -2.021 -8.215 1.00 1.43 H new ATOM 0 HG3 MET A 15 -15.268 -0.621 -7.510 1.00 1.43 H new ATOM 0 HE1 MET A 15 -13.997 -3.952 -5.870 1.00 3.31 H new ATOM 0 HE2 MET A 15 -14.542 -3.566 -7.520 1.00 3.31 H new ATOM 0 HE3 MET A 15 -13.463 -2.446 -6.654 1.00 3.31 H new ATOM 233 N THR A 16 -19.834 -0.175 -9.848 1.00 1.16 N ATOM 234 CA THR A 16 -21.258 0.077 -9.988 1.00 1.19 C ATOM 235 C THR A 16 -22.038 -0.821 -9.020 1.00 1.18 C ATOM 236 O THR A 16 -23.123 -0.452 -8.577 1.00 1.16 O ATOM 237 CB THR A 16 -21.669 -0.143 -11.451 1.00 1.38 C ATOM 238 OG1 THR A 16 -20.815 0.599 -12.301 1.00 1.52 O ATOM 239 CG2 THR A 16 -23.105 0.321 -11.716 1.00 1.48 C ATOM 0 H THR A 16 -19.469 -0.864 -10.505 1.00 1.16 H new ATOM 0 HA THR A 16 -21.491 1.110 -9.730 1.00 1.19 H new ATOM 0 HB THR A 16 -21.596 -1.212 -11.648 1.00 1.38 H new ATOM 0 HG1 THR A 16 -21.078 0.456 -13.234 1.00 1.52 H new ATOM 0 HG21 THR A 16 -23.356 0.148 -12.762 1.00 1.48 H new ATOM 0 HG22 THR A 16 -23.791 -0.239 -11.081 1.00 1.48 H new ATOM 0 HG23 THR A 16 -23.191 1.385 -11.494 1.00 1.48 H new ATOM 247 N CYS A 17 -21.513 -2.014 -8.705 1.00 1.40 N ATOM 248 CA CYS A 17 -22.238 -3.010 -7.918 1.00 1.72 C ATOM 249 C CYS A 17 -21.327 -4.195 -7.585 1.00 1.31 C ATOM 250 O CYS A 17 -20.235 -4.303 -8.144 1.00 2.90 O ATOM 251 CB CYS A 17 -23.474 -3.505 -8.695 1.00 3.43 C ATOM 252 SG CYS A 17 -24.694 -4.151 -7.530 1.00 4.08 S ATOM 0 H CYS A 17 -20.579 -2.310 -8.989 1.00 1.40 H new ATOM 0 HA CYS A 17 -22.564 -2.544 -6.988 1.00 1.72 H new ATOM 0 HB2 CYS A 17 -23.905 -2.688 -9.274 1.00 3.43 H new ATOM 0 HB3 CYS A 17 -23.185 -4.281 -9.404 1.00 3.43 H new ATOM 0 HG CYS A 17 -25.739 -4.567 -8.182 1.00 4.08 H new ATOM 258 N ALA A 18 -21.784 -5.110 -6.720 1.00 1.30 N ATOM 259 CA ALA A 18 -21.091 -6.336 -6.340 1.00 2.19 C ATOM 260 C ALA A 18 -20.542 -7.111 -7.537 1.00 1.95 C ATOM 261 O ALA A 18 -19.507 -7.752 -7.414 1.00 2.92 O ATOM 262 CB ALA A 18 -22.017 -7.220 -5.502 1.00 3.56 C ATOM 0 H ALA A 18 -22.683 -5.007 -6.250 1.00 1.30 H new ATOM 0 HA ALA A 18 -20.226 -6.043 -5.745 1.00 2.19 H new ATOM 0 HB1 ALA A 18 -21.493 -8.134 -5.222 1.00 3.56 H new ATOM 0 HB2 ALA A 18 -22.316 -6.683 -4.602 1.00 3.56 H new ATOM 0 HB3 ALA A 18 -22.903 -7.474 -6.084 1.00 3.56 H new ATOM 268 N ALA A 19 -21.203 -7.057 -8.696 1.00 1.18 N ATOM 269 CA ALA A 19 -20.702 -7.682 -9.915 1.00 1.07 C ATOM 270 C ALA A 19 -19.299 -7.180 -10.282 1.00 0.84 C ATOM 271 O ALA A 19 -18.424 -7.973 -10.627 1.00 0.85 O ATOM 272 CB ALA A 19 -21.690 -7.425 -11.057 1.00 1.43 C ATOM 0 H ALA A 19 -22.097 -6.580 -8.812 1.00 1.18 H new ATOM 0 HA ALA A 19 -20.616 -8.755 -9.742 1.00 1.07 H new ATOM 0 HB1 ALA A 19 -21.319 -7.890 -11.970 1.00 1.43 H new ATOM 0 HB2 ALA A 19 -22.661 -7.850 -10.801 1.00 1.43 H new ATOM 0 HB3 ALA A 19 -21.794 -6.351 -11.213 1.00 1.43 H new ATOM 278 N CYS A 20 -19.079 -5.864 -10.208 1.00 0.72 N ATOM 279 CA CYS A 20 -17.816 -5.226 -10.576 1.00 0.70 C ATOM 280 C CYS A 20 -16.728 -5.743 -9.645 1.00 0.57 C ATOM 281 O CYS A 20 -15.699 -6.271 -10.068 1.00 0.58 O ATOM 282 CB CYS A 20 -17.936 -3.703 -10.417 1.00 0.72 C ATOM 283 SG CYS A 20 -18.845 -2.964 -11.791 1.00 0.93 S ATOM 0 H CYS A 20 -19.786 -5.203 -9.885 1.00 0.72 H new ATOM 0 HA CYS A 20 -17.572 -5.457 -11.613 1.00 0.70 H new ATOM 0 HB2 CYS A 20 -18.442 -3.473 -9.479 1.00 0.72 H new ATOM 0 HB3 CYS A 20 -16.941 -3.263 -10.359 1.00 0.72 H new ATOM 0 HG CYS A 20 -18.419 -1.752 -11.991 1.00 0.93 H new ATOM 289 N ALA A 21 -17.012 -5.606 -8.352 1.00 0.49 N ATOM 290 CA ALA A 21 -16.231 -6.178 -7.271 1.00 0.51 C ATOM 291 C ALA A 21 -15.865 -7.636 -7.555 1.00 0.50 C ATOM 292 O ALA A 21 -14.693 -7.984 -7.666 1.00 0.47 O ATOM 293 CB ALA A 21 -17.022 -6.007 -5.968 1.00 0.67 C ATOM 0 H ALA A 21 -17.819 -5.076 -8.023 1.00 0.49 H new ATOM 0 HA ALA A 21 -15.279 -5.655 -7.176 1.00 0.51 H new ATOM 0 HB1 ALA A 21 -16.454 -6.430 -5.139 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -17.196 -4.947 -5.785 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -17.979 -6.522 -6.053 1.00 0.67 H new ATOM 299 N ALA A 22 -16.869 -8.492 -7.714 1.00 0.61 N ATOM 300 CA ALA A 22 -16.680 -9.915 -7.935 1.00 0.70 C ATOM 301 C ALA A 22 -15.814 -10.162 -9.168 1.00 0.63 C ATOM 302 O ALA A 22 -14.991 -11.074 -9.169 1.00 0.63 O ATOM 303 CB ALA A 22 -18.040 -10.605 -8.064 1.00 0.93 C ATOM 0 H ALA A 22 -17.849 -8.210 -7.692 1.00 0.61 H new ATOM 0 HA ALA A 22 -16.157 -10.340 -7.078 1.00 0.70 H new ATOM 0 HB1 ALA A 22 -17.892 -11.672 -8.230 1.00 0.93 H new ATOM 0 HB2 ALA A 22 -18.612 -10.456 -7.148 1.00 0.93 H new ATOM 0 HB3 ALA A 22 -18.586 -10.179 -8.906 1.00 0.93 H new ATOM 309 N ARG A 23 -15.979 -9.354 -10.219 1.00 0.64 N ATOM 310 CA ARG A 23 -15.144 -9.431 -11.397 1.00 0.68 C ATOM 311 C ARG A 23 -13.681 -9.210 -11.033 1.00 0.60 C ATOM 312 O ARG A 23 -12.827 -9.993 -11.455 1.00 0.65 O ATOM 313 CB ARG A 23 -15.615 -8.417 -12.450 1.00 0.78 C ATOM 314 CG ARG A 23 -16.311 -9.118 -13.615 1.00 0.88 C ATOM 315 CD ARG A 23 -15.334 -10.084 -14.300 1.00 0.87 C ATOM 316 NE ARG A 23 -15.540 -10.086 -15.759 1.00 1.07 N ATOM 317 CZ ARG A 23 -14.640 -10.489 -16.670 1.00 1.40 C ATOM 318 NH1 ARG A 23 -13.488 -11.040 -16.270 1.00 2.25 N ATOM 319 NH2 ARG A 23 -14.896 -10.337 -17.974 1.00 1.45 N ATOM 0 H ARG A 23 -16.698 -8.632 -10.267 1.00 0.64 H new ATOM 0 HA ARG A 23 -15.232 -10.430 -11.825 1.00 0.68 H new ATOM 0 HB2 ARG A 23 -16.298 -7.702 -11.991 1.00 0.78 H new ATOM 0 HB3 ARG A 23 -14.761 -7.850 -12.820 1.00 0.78 H new ATOM 0 HG2 ARG A 23 -17.183 -9.663 -13.254 1.00 0.88 H new ATOM 0 HG3 ARG A 23 -16.671 -8.381 -14.333 1.00 0.88 H new ATOM 0 HD2 ARG A 23 -14.308 -9.793 -14.073 1.00 0.87 H new ATOM 0 HD3 ARG A 23 -15.474 -11.091 -13.907 1.00 0.87 H new ATOM 0 HE ARG A 23 -16.440 -9.754 -16.105 1.00 1.07 H new ATOM 0 HH11 ARG A 23 -13.295 -11.153 -15.275 1.00 2.25 H new ATOM 0 HH12 ARG A 23 -12.803 -11.347 -16.960 1.00 2.25 H new ATOM 0 HH21 ARG A 23 -15.774 -9.915 -18.276 1.00 1.45 H new ATOM 0 HH22 ARG A 23 -14.213 -10.643 -18.667 1.00 1.45 H new ATOM 333 N ILE A 24 -13.394 -8.159 -10.261 1.00 0.54 N ATOM 334 CA ILE A 24 -12.048 -7.924 -9.775 1.00 0.54 C ATOM 335 C ILE A 24 -11.600 -9.147 -8.987 1.00 0.51 C ATOM 336 O ILE A 24 -10.648 -9.802 -9.399 1.00 0.63 O ATOM 337 CB ILE A 24 -11.982 -6.617 -8.977 1.00 0.54 C ATOM 338 CG1 ILE A 24 -12.156 -5.424 -9.933 1.00 0.67 C ATOM 339 CG2 ILE A 24 -10.660 -6.481 -8.231 1.00 0.57 C ATOM 340 CD1 ILE A 24 -12.579 -4.149 -9.207 1.00 0.53 C ATOM 0 H ILE A 24 -14.079 -7.464 -9.964 1.00 0.54 H new ATOM 0 HA ILE A 24 -11.352 -7.791 -10.603 1.00 0.54 H new ATOM 0 HB ILE A 24 -12.785 -6.630 -8.240 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -11.218 -5.245 -10.459 1.00 0.67 H new ATOM 0 HG13 ILE A 24 -12.902 -5.673 -10.687 1.00 0.67 H new ATOM 0 HG21 ILE A 24 -10.650 -5.542 -7.677 1.00 0.57 H new ATOM 0 HG22 ILE A 24 -10.547 -7.314 -7.537 1.00 0.57 H new ATOM 0 HG23 ILE A 24 -9.837 -6.489 -8.945 1.00 0.57 H new ATOM 0 HD11 ILE A 24 -12.687 -3.339 -9.928 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -13.531 -4.316 -8.703 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -11.821 -3.881 -8.471 1.00 0.53 H new ATOM 352 N GLU A 25 -12.275 -9.491 -7.889 1.00 0.43 N ATOM 353 CA GLU A 25 -11.770 -10.527 -7.007 1.00 0.52 C ATOM 354 C GLU A 25 -11.585 -11.850 -7.746 1.00 0.49 C ATOM 355 O GLU A 25 -10.606 -12.548 -7.507 1.00 0.50 O ATOM 356 CB GLU A 25 -12.654 -10.676 -5.770 1.00 0.80 C ATOM 357 CG GLU A 25 -12.926 -9.335 -5.077 1.00 0.81 C ATOM 358 CD GLU A 25 -11.692 -8.458 -4.894 1.00 2.85 C ATOM 359 OE1 GLU A 25 -10.693 -8.984 -4.360 1.00 3.79 O ATOM 360 OE2 GLU A 25 -11.766 -7.284 -5.314 1.00 3.96 O ATOM 0 H GLU A 25 -13.158 -9.071 -7.598 1.00 0.43 H new ATOM 0 HA GLU A 25 -10.783 -10.220 -6.661 1.00 0.52 H new ATOM 0 HB2 GLU A 25 -13.602 -11.131 -6.057 1.00 0.80 H new ATOM 0 HB3 GLU A 25 -12.175 -11.355 -5.065 1.00 0.80 H new ATOM 0 HG2 GLU A 25 -13.666 -8.784 -5.657 1.00 0.81 H new ATOM 0 HG3 GLU A 25 -13.368 -9.528 -4.099 1.00 0.81 H new ATOM 367 N LYS A 26 -12.481 -12.187 -8.681 1.00 0.55 N ATOM 368 CA LYS A 26 -12.325 -13.357 -9.513 1.00 0.63 C ATOM 369 C LYS A 26 -11.086 -13.227 -10.407 1.00 0.62 C ATOM 370 O LYS A 26 -10.316 -14.177 -10.540 1.00 0.70 O ATOM 371 CB LYS A 26 -13.622 -13.635 -10.286 1.00 0.76 C ATOM 372 CG LYS A 26 -13.428 -14.920 -11.093 1.00 0.90 C ATOM 373 CD LYS A 26 -14.694 -15.767 -11.277 1.00 1.42 C ATOM 374 CE LYS A 26 -15.682 -15.173 -12.290 1.00 1.21 C ATOM 375 NZ LYS A 26 -16.830 -16.078 -12.523 1.00 1.90 N ATOM 0 H LYS A 26 -13.327 -11.650 -8.872 1.00 0.55 H new ATOM 0 HA LYS A 26 -12.148 -14.232 -8.888 1.00 0.63 H new ATOM 0 HB2 LYS A 26 -14.460 -13.741 -9.597 1.00 0.76 H new ATOM 0 HB3 LYS A 26 -13.857 -12.801 -10.948 1.00 0.76 H new ATOM 0 HG2 LYS A 26 -13.038 -14.658 -12.077 1.00 0.90 H new ATOM 0 HG3 LYS A 26 -12.670 -15.529 -10.601 1.00 0.90 H new ATOM 0 HD2 LYS A 26 -14.409 -16.767 -11.602 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -15.193 -15.875 -10.314 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -16.044 -14.211 -11.926 1.00 1.21 H new ATOM 0 HE3 LYS A 26 -15.169 -14.985 -13.233 1.00 1.21 H new ATOM 0 HZ1 LYS A 26 -17.478 -15.646 -13.212 1.00 1.90 H new ATOM 0 HZ2 LYS A 26 -16.486 -16.987 -12.893 1.00 1.90 H new ATOM 0 HZ3 LYS A 26 -17.334 -16.238 -11.627 1.00 1.90 H new ATOM 389 N GLY A 27 -10.881 -12.060 -11.018 1.00 0.58 N ATOM 390 CA GLY A 27 -9.687 -11.782 -11.801 1.00 0.61 C ATOM 391 C GLY A 27 -8.417 -11.948 -10.963 1.00 0.57 C ATOM 392 O GLY A 27 -7.440 -12.540 -11.422 1.00 0.64 O ATOM 0 H GLY A 27 -11.541 -11.283 -10.981 1.00 0.58 H new ATOM 0 HA2 GLY A 27 -9.649 -12.453 -12.659 1.00 0.61 H new ATOM 0 HA3 GLY A 27 -9.736 -10.766 -12.193 1.00 0.61 H new ATOM 396 N LEU A 28 -8.423 -11.412 -9.742 1.00 0.47 N ATOM 397 CA LEU A 28 -7.292 -11.428 -8.827 1.00 0.42 C ATOM 398 C LEU A 28 -7.053 -12.841 -8.285 1.00 0.44 C ATOM 399 O LEU A 28 -5.904 -13.254 -8.168 1.00 0.48 O ATOM 400 CB LEU A 28 -7.483 -10.377 -7.712 1.00 0.44 C ATOM 401 CG LEU A 28 -7.039 -8.940 -8.079 1.00 0.55 C ATOM 402 CD1 LEU A 28 -5.512 -8.857 -8.180 1.00 1.48 C ATOM 403 CD2 LEU A 28 -7.728 -8.389 -9.329 1.00 1.62 C ATOM 0 H LEU A 28 -9.242 -10.942 -9.355 1.00 0.47 H new ATOM 0 HA LEU A 28 -6.389 -11.148 -9.369 1.00 0.42 H new ATOM 0 HB2 LEU A 28 -8.536 -10.355 -7.432 1.00 0.44 H new ATOM 0 HB3 LEU A 28 -6.926 -10.699 -6.832 1.00 0.44 H new ATOM 0 HG LEU A 28 -7.366 -8.293 -7.265 1.00 0.55 H new ATOM 0 HD11 LEU A 28 -5.219 -7.839 -8.439 1.00 1.48 H new ATOM 0 HD12 LEU A 28 -5.069 -9.130 -7.222 1.00 1.48 H new ATOM 0 HD13 LEU A 28 -5.161 -9.543 -8.951 1.00 1.48 H new ATOM 0 HD21 LEU A 28 -7.369 -7.379 -9.527 1.00 1.62 H new ATOM 0 HD22 LEU A 28 -7.500 -9.028 -10.182 1.00 1.62 H new ATOM 0 HD23 LEU A 28 -8.806 -8.367 -9.170 1.00 1.62 H new ATOM 415 N LYS A 29 -8.114 -13.619 -8.035 1.00 0.48 N ATOM 416 CA LYS A 29 -8.029 -15.035 -7.662 1.00 0.56 C ATOM 417 C LYS A 29 -7.119 -15.818 -8.616 1.00 0.73 C ATOM 418 O LYS A 29 -6.585 -16.859 -8.247 1.00 0.88 O ATOM 419 CB LYS A 29 -9.427 -15.689 -7.638 1.00 0.66 C ATOM 420 CG LYS A 29 -9.733 -16.424 -6.324 1.00 0.83 C ATOM 421 CD LYS A 29 -10.117 -15.440 -5.203 1.00 0.93 C ATOM 422 CE LYS A 29 -11.442 -15.814 -4.519 1.00 1.10 C ATOM 423 NZ LYS A 29 -11.332 -17.017 -3.665 1.00 2.22 N ATOM 0 H LYS A 29 -9.073 -13.275 -8.088 1.00 0.48 H new ATOM 0 HA LYS A 29 -7.599 -15.071 -6.661 1.00 0.56 H new ATOM 0 HB2 LYS A 29 -10.183 -14.920 -7.800 1.00 0.66 H new ATOM 0 HB3 LYS A 29 -9.505 -16.393 -8.466 1.00 0.66 H new ATOM 0 HG2 LYS A 29 -10.547 -17.132 -6.483 1.00 0.83 H new ATOM 0 HG3 LYS A 29 -8.862 -17.003 -6.018 1.00 0.83 H new ATOM 0 HD2 LYS A 29 -9.322 -15.415 -4.458 1.00 0.93 H new ATOM 0 HD3 LYS A 29 -10.197 -14.435 -5.618 1.00 0.93 H new ATOM 0 HE2 LYS A 29 -11.781 -14.974 -3.912 1.00 1.10 H new ATOM 0 HE3 LYS A 29 -12.203 -15.984 -5.281 1.00 1.10 H new ATOM 0 HZ1 LYS A 29 -12.255 -17.220 -3.231 1.00 2.22 H new ATOM 0 HZ2 LYS A 29 -11.036 -17.828 -4.245 1.00 2.22 H new ATOM 0 HZ3 LYS A 29 -10.628 -16.849 -2.918 1.00 2.22 H new ATOM 437 N ARG A 30 -6.976 -15.340 -9.856 1.00 0.75 N ATOM 438 CA ARG A 30 -6.157 -15.986 -10.867 1.00 0.85 C ATOM 439 C ARG A 30 -4.660 -15.947 -10.531 1.00 0.82 C ATOM 440 O ARG A 30 -3.888 -16.698 -11.124 1.00 0.93 O ATOM 441 CB ARG A 30 -6.456 -15.338 -12.231 1.00 0.87 C ATOM 442 CG ARG A 30 -6.470 -16.373 -13.373 1.00 1.11 C ATOM 443 CD ARG A 30 -7.511 -16.072 -14.468 1.00 1.30 C ATOM 444 NE ARG A 30 -6.908 -15.596 -15.721 1.00 2.02 N ATOM 445 CZ ARG A 30 -6.638 -14.317 -16.022 1.00 3.41 C ATOM 446 NH1 ARG A 30 -6.754 -13.375 -15.080 1.00 4.36 N ATOM 447 NH2 ARG A 30 -6.262 -13.995 -17.266 1.00 4.42 N ATOM 0 H ARG A 30 -7.432 -14.487 -10.181 1.00 0.75 H new ATOM 0 HA ARG A 30 -6.415 -17.044 -10.901 1.00 0.85 H new ATOM 0 HB2 ARG A 30 -7.421 -14.833 -12.188 1.00 0.87 H new ATOM 0 HB3 ARG A 30 -5.706 -14.576 -12.442 1.00 0.87 H new ATOM 0 HG2 ARG A 30 -5.480 -16.414 -13.827 1.00 1.11 H new ATOM 0 HG3 ARG A 30 -6.670 -17.360 -12.955 1.00 1.11 H new ATOM 0 HD2 ARG A 30 -8.089 -16.974 -14.669 1.00 1.30 H new ATOM 0 HD3 ARG A 30 -8.210 -15.321 -14.100 1.00 1.30 H new ATOM 0 HE ARG A 30 -6.675 -16.299 -16.422 1.00 2.02 H new ATOM 0 HH11 ARG A 30 -7.047 -13.630 -14.137 1.00 4.36 H new ATOM 0 HH12 ARG A 30 -6.550 -12.401 -15.305 1.00 4.36 H new ATOM 0 HH21 ARG A 30 -6.182 -14.720 -17.979 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -6.055 -13.024 -17.501 1.00 4.42 H new ATOM 461 N MET A 31 -4.234 -15.060 -9.626 1.00 0.71 N ATOM 462 CA MET A 31 -2.842 -14.968 -9.202 1.00 0.72 C ATOM 463 C MET A 31 -2.524 -16.036 -8.151 1.00 0.77 C ATOM 464 O MET A 31 -3.361 -16.317 -7.299 1.00 0.82 O ATOM 465 CB MET A 31 -2.580 -13.562 -8.656 1.00 0.64 C ATOM 466 CG MET A 31 -2.374 -12.587 -9.820 1.00 0.81 C ATOM 467 SD MET A 31 -0.621 -12.207 -10.082 1.00 1.31 S ATOM 468 CE MET A 31 -0.692 -11.358 -11.670 1.00 1.45 C ATOM 0 H MET A 31 -4.849 -14.387 -9.169 1.00 0.71 H new ATOM 0 HA MET A 31 -2.188 -15.147 -10.056 1.00 0.72 H new ATOM 0 HB2 MET A 31 -3.420 -13.238 -8.041 1.00 0.64 H new ATOM 0 HB3 MET A 31 -1.699 -13.569 -8.014 1.00 0.64 H new ATOM 0 HG2 MET A 31 -2.793 -13.015 -10.731 1.00 0.81 H new ATOM 0 HG3 MET A 31 -2.920 -11.664 -9.622 1.00 0.81 H new ATOM 0 HE1 MET A 31 0.313 -11.060 -11.968 1.00 1.45 H new ATOM 0 HE2 MET A 31 -1.110 -12.027 -12.422 1.00 1.45 H new ATOM 0 HE3 MET A 31 -1.322 -10.473 -11.581 1.00 1.45 H new ATOM 478 N PRO A 32 -1.315 -16.621 -8.172 1.00 0.84 N ATOM 479 CA PRO A 32 -0.955 -17.707 -7.276 1.00 0.87 C ATOM 480 C PRO A 32 -0.798 -17.210 -5.838 1.00 0.89 C ATOM 481 O PRO A 32 -1.294 -17.845 -4.912 1.00 1.32 O ATOM 482 CB PRO A 32 0.343 -18.284 -7.842 1.00 0.99 C ATOM 483 CG PRO A 32 0.991 -17.089 -8.542 1.00 1.06 C ATOM 484 CD PRO A 32 -0.216 -16.313 -9.075 1.00 0.95 C ATOM 0 HA PRO A 32 -1.730 -18.472 -7.225 1.00 0.87 H new ATOM 0 HB2 PRO A 32 0.982 -18.682 -7.054 1.00 0.99 H new ATOM 0 HB3 PRO A 32 0.149 -19.100 -8.538 1.00 0.99 H new ATOM 0 HG2 PRO A 32 1.585 -16.489 -7.852 1.00 1.06 H new ATOM 0 HG3 PRO A 32 1.657 -17.403 -9.346 1.00 1.06 H new ATOM 0 HD2 PRO A 32 -0.015 -15.242 -9.095 1.00 0.95 H new ATOM 0 HD3 PRO A 32 -0.453 -16.612 -10.096 1.00 0.95 H new ATOM 492 N GLY A 33 -0.149 -16.057 -5.636 1.00 0.85 N ATOM 493 CA GLY A 33 0.078 -15.527 -4.308 1.00 0.81 C ATOM 494 C GLY A 33 -1.215 -15.024 -3.681 1.00 0.74 C ATOM 495 O GLY A 33 -1.235 -14.784 -2.481 1.00 0.86 O ATOM 0 H GLY A 33 0.226 -15.478 -6.388 1.00 0.85 H new ATOM 0 HA2 GLY A 33 0.514 -16.301 -3.676 1.00 0.81 H new ATOM 0 HA3 GLY A 33 0.800 -14.712 -4.359 1.00 0.81 H new ATOM 499 N VAL A 34 -2.274 -14.804 -4.470 1.00 0.63 N ATOM 500 CA VAL A 34 -3.555 -14.381 -3.934 1.00 0.60 C ATOM 501 C VAL A 34 -4.142 -15.503 -3.081 1.00 0.64 C ATOM 502 O VAL A 34 -4.571 -16.529 -3.604 1.00 0.75 O ATOM 503 CB VAL A 34 -4.481 -13.870 -5.052 1.00 0.62 C ATOM 504 CG1 VAL A 34 -5.949 -13.876 -4.624 1.00 1.30 C ATOM 505 CG2 VAL A 34 -4.077 -12.433 -5.411 1.00 1.26 C ATOM 0 H VAL A 34 -2.259 -14.915 -5.484 1.00 0.63 H new ATOM 0 HA VAL A 34 -3.427 -13.525 -3.272 1.00 0.60 H new ATOM 0 HB VAL A 34 -4.375 -14.535 -5.909 1.00 0.62 H new ATOM 0 HG11 VAL A 34 -6.568 -13.508 -5.442 1.00 1.30 H new ATOM 0 HG12 VAL A 34 -6.250 -14.892 -4.370 1.00 1.30 H new ATOM 0 HG13 VAL A 34 -6.077 -13.232 -3.754 1.00 1.30 H new ATOM 0 HG21 VAL A 34 -4.726 -12.060 -6.203 1.00 1.26 H new ATOM 0 HG22 VAL A 34 -4.175 -11.797 -4.531 1.00 1.26 H new ATOM 0 HG23 VAL A 34 -3.043 -12.421 -5.754 1.00 1.26 H new ATOM 515 N THR A 35 -4.169 -15.286 -1.765 1.00 0.62 N ATOM 516 CA THR A 35 -4.694 -16.247 -0.817 1.00 0.69 C ATOM 517 C THR A 35 -6.193 -16.013 -0.647 1.00 0.70 C ATOM 518 O THR A 35 -6.975 -16.955 -0.777 1.00 0.80 O ATOM 519 CB THR A 35 -3.892 -16.194 0.491 1.00 0.77 C ATOM 520 OG1 THR A 35 -2.603 -16.705 0.225 1.00 0.75 O ATOM 521 CG2 THR A 35 -4.509 -17.079 1.577 1.00 0.91 C ATOM 0 H THR A 35 -3.823 -14.430 -1.333 1.00 0.62 H new ATOM 0 HA THR A 35 -4.578 -17.266 -1.187 1.00 0.69 H new ATOM 0 HB THR A 35 -3.879 -15.162 0.841 1.00 0.77 H new ATOM 0 HG1 THR A 35 -1.929 -16.036 0.469 1.00 0.75 H new ATOM 0 HG21 THR A 35 -3.910 -17.012 2.485 1.00 0.91 H new ATOM 0 HG22 THR A 35 -5.525 -16.743 1.787 1.00 0.91 H new ATOM 0 HG23 THR A 35 -4.532 -18.113 1.234 1.00 0.91 H new ATOM 529 N ASP A 36 -6.606 -14.767 -0.378 1.00 0.65 N ATOM 530 CA ASP A 36 -8.012 -14.444 -0.163 1.00 0.79 C ATOM 531 C ASP A 36 -8.313 -13.017 -0.642 1.00 0.66 C ATOM 532 O ASP A 36 -7.980 -12.041 0.027 1.00 1.13 O ATOM 533 CB ASP A 36 -8.374 -14.676 1.314 1.00 1.08 C ATOM 534 CG ASP A 36 -9.860 -14.918 1.519 1.00 1.35 C ATOM 535 OD1 ASP A 36 -10.620 -14.719 0.544 1.00 1.62 O ATOM 536 OD2 ASP A 36 -10.218 -15.292 2.654 1.00 2.92 O ATOM 0 H ASP A 36 -5.978 -13.967 -0.305 1.00 0.65 H new ATOM 0 HA ASP A 36 -8.644 -15.105 -0.757 1.00 0.79 H new ATOM 0 HB2 ASP A 36 -7.815 -15.532 1.691 1.00 1.08 H new ATOM 0 HB3 ASP A 36 -8.066 -13.810 1.900 1.00 1.08 H new ATOM 541 N ALA A 37 -8.885 -12.895 -1.843 1.00 0.63 N ATOM 542 CA ALA A 37 -9.202 -11.628 -2.492 1.00 0.56 C ATOM 543 C ALA A 37 -10.665 -11.276 -2.237 1.00 0.58 C ATOM 544 O ALA A 37 -11.538 -12.050 -2.635 1.00 0.68 O ATOM 545 CB ALA A 37 -8.913 -11.755 -3.992 1.00 0.72 C ATOM 0 H ALA A 37 -9.147 -13.704 -2.406 1.00 0.63 H new ATOM 0 HA ALA A 37 -8.587 -10.826 -2.084 1.00 0.56 H new ATOM 0 HB1 ALA A 37 -9.146 -10.813 -4.489 1.00 0.72 H new ATOM 0 HB2 ALA A 37 -7.860 -11.992 -4.141 1.00 0.72 H new ATOM 0 HB3 ALA A 37 -9.527 -12.550 -4.415 1.00 0.72 H new ATOM 551 N ASN A 38 -10.932 -10.159 -1.546 1.00 0.55 N ATOM 552 CA ASN A 38 -12.281 -9.729 -1.203 1.00 0.66 C ATOM 553 C ASN A 38 -12.410 -8.217 -1.383 1.00 0.61 C ATOM 554 O ASN A 38 -11.419 -7.495 -1.489 1.00 0.61 O ATOM 555 CB ASN A 38 -12.615 -10.129 0.241 1.00 0.74 C ATOM 556 CG ASN A 38 -12.572 -11.639 0.431 1.00 1.01 C ATOM 557 OD1 ASN A 38 -13.590 -12.313 0.306 1.00 2.27 O ATOM 558 ND2 ASN A 38 -11.391 -12.172 0.723 1.00 1.01 N ATOM 0 H ASN A 38 -10.205 -9.527 -1.209 1.00 0.55 H new ATOM 0 HA ASN A 38 -12.989 -10.221 -1.870 1.00 0.66 H new ATOM 0 HB2 ASN A 38 -11.908 -9.656 0.922 1.00 0.74 H new ATOM 0 HB3 ASN A 38 -13.606 -9.757 0.502 1.00 0.74 H new ATOM 0 HD21 ASN A 38 -11.304 -13.180 0.853 1.00 1.01 H new ATOM 0 HD22 ASN A 38 -10.571 -11.573 0.818 1.00 1.01 H new ATOM 565 N VAL A 39 -13.655 -7.732 -1.389 1.00 0.65 N ATOM 566 CA VAL A 39 -13.965 -6.315 -1.445 1.00 0.54 C ATOM 567 C VAL A 39 -15.341 -6.069 -0.845 1.00 0.70 C ATOM 568 O VAL A 39 -16.338 -6.661 -1.257 1.00 0.91 O ATOM 569 CB VAL A 39 -13.827 -5.781 -2.879 1.00 0.67 C ATOM 570 CG1 VAL A 39 -14.677 -6.573 -3.872 1.00 1.03 C ATOM 571 CG2 VAL A 39 -14.207 -4.295 -2.961 1.00 0.54 C ATOM 0 H VAL A 39 -14.482 -8.328 -1.354 1.00 0.65 H new ATOM 0 HA VAL A 39 -13.246 -5.756 -0.846 1.00 0.54 H new ATOM 0 HB VAL A 39 -12.778 -5.900 -3.149 1.00 0.67 H new ATOM 0 HG11 VAL A 39 -14.548 -6.160 -4.872 1.00 1.03 H new ATOM 0 HG12 VAL A 39 -14.364 -7.617 -3.867 1.00 1.03 H new ATOM 0 HG13 VAL A 39 -15.727 -6.508 -3.585 1.00 1.03 H new ATOM 0 HG21 VAL A 39 -14.099 -3.948 -3.989 1.00 0.54 H new ATOM 0 HG22 VAL A 39 -15.241 -4.166 -2.641 1.00 0.54 H new ATOM 0 HG23 VAL A 39 -13.551 -3.715 -2.311 1.00 0.54 H new ATOM 581 N ASN A 40 -15.394 -5.160 0.125 1.00 0.72 N ATOM 582 CA ASN A 40 -16.647 -4.630 0.628 1.00 0.99 C ATOM 583 C ASN A 40 -17.033 -3.473 -0.279 1.00 1.05 C ATOM 584 O ASN A 40 -16.744 -2.320 0.039 1.00 1.04 O ATOM 585 CB ASN A 40 -16.508 -4.193 2.095 1.00 1.10 C ATOM 586 CG ASN A 40 -16.920 -5.306 3.048 1.00 1.39 C ATOM 587 OD1 ASN A 40 -16.080 -6.011 3.598 1.00 1.54 O ATOM 588 ND2 ASN A 40 -18.226 -5.472 3.255 1.00 2.41 N ATOM 0 H ASN A 40 -14.567 -4.774 0.581 1.00 0.72 H new ATOM 0 HA ASN A 40 -17.429 -5.389 0.616 1.00 0.99 H new ATOM 0 HB2 ASN A 40 -15.476 -3.905 2.294 1.00 1.10 H new ATOM 0 HB3 ASN A 40 -17.125 -3.312 2.274 1.00 1.10 H new ATOM 0 HD21 ASN A 40 -18.553 -6.203 3.887 1.00 2.41 H new ATOM 0 HD22 ASN A 40 -18.898 -4.868 2.782 1.00 2.41 H new ATOM 595 N LEU A 41 -17.712 -3.770 -1.395 1.00 1.15 N ATOM 596 CA LEU A 41 -18.244 -2.732 -2.280 1.00 1.24 C ATOM 597 C LEU A 41 -19.126 -1.751 -1.514 1.00 1.32 C ATOM 598 O LEU A 41 -19.172 -0.568 -1.831 1.00 1.36 O ATOM 599 CB LEU A 41 -18.897 -3.318 -3.549 1.00 1.42 C ATOM 600 CG LEU A 41 -20.394 -3.691 -3.558 1.00 1.86 C ATOM 601 CD1 LEU A 41 -20.827 -4.671 -2.462 1.00 1.88 C ATOM 602 CD2 LEU A 41 -21.349 -2.493 -3.655 1.00 3.15 C ATOM 0 H LEU A 41 -17.905 -4.723 -1.704 1.00 1.15 H new ATOM 0 HA LEU A 41 -17.405 -2.146 -2.654 1.00 1.24 H new ATOM 0 HB2 LEU A 41 -18.740 -2.599 -4.353 1.00 1.42 H new ATOM 0 HB3 LEU A 41 -18.340 -4.217 -3.812 1.00 1.42 H new ATOM 0 HG LEU A 41 -20.488 -4.237 -4.497 1.00 1.86 H new ATOM 0 HD11 LEU A 41 -21.895 -4.870 -2.553 1.00 1.88 H new ATOM 0 HD12 LEU A 41 -20.274 -5.604 -2.569 1.00 1.88 H new ATOM 0 HD13 LEU A 41 -20.621 -4.237 -1.484 1.00 1.88 H new ATOM 0 HD21 LEU A 41 -22.379 -2.848 -3.655 1.00 3.15 H new ATOM 0 HD22 LEU A 41 -21.193 -1.833 -2.802 1.00 3.15 H new ATOM 0 HD23 LEU A 41 -21.154 -1.946 -4.577 1.00 3.15 H new ATOM 614 N ALA A 42 -19.757 -2.237 -0.444 1.00 1.39 N ATOM 615 CA ALA A 42 -20.611 -1.463 0.434 1.00 1.49 C ATOM 616 C ALA A 42 -19.881 -0.247 1.003 1.00 1.41 C ATOM 617 O ALA A 42 -20.516 0.763 1.297 1.00 1.45 O ATOM 618 CB ALA A 42 -21.120 -2.362 1.563 1.00 1.57 C ATOM 0 H ALA A 42 -19.680 -3.214 -0.162 1.00 1.39 H new ATOM 0 HA ALA A 42 -21.455 -1.088 -0.145 1.00 1.49 H new ATOM 0 HB1 ALA A 42 -21.763 -1.784 2.227 1.00 1.57 H new ATOM 0 HB2 ALA A 42 -21.687 -3.192 1.140 1.00 1.57 H new ATOM 0 HB3 ALA A 42 -20.273 -2.752 2.128 1.00 1.57 H new ATOM 624 N THR A 43 -18.560 -0.350 1.171 1.00 1.32 N ATOM 625 CA THR A 43 -17.716 0.754 1.594 1.00 1.30 C ATOM 626 C THR A 43 -16.607 1.007 0.562 1.00 1.20 C ATOM 627 O THR A 43 -15.638 1.698 0.873 1.00 1.18 O ATOM 628 CB THR A 43 -17.153 0.422 2.985 1.00 1.29 C ATOM 629 OG1 THR A 43 -16.411 -0.778 2.935 1.00 1.19 O ATOM 630 CG2 THR A 43 -18.275 0.243 4.015 1.00 1.45 C ATOM 0 H THR A 43 -18.047 -1.217 1.013 1.00 1.32 H new ATOM 0 HA THR A 43 -18.293 1.676 1.660 1.00 1.30 H new ATOM 0 HB THR A 43 -16.517 1.256 3.284 1.00 1.29 H new ATOM 0 HG1 THR A 43 -16.055 -0.980 3.826 1.00 1.19 H new ATOM 0 HG21 THR A 43 -17.842 0.009 4.988 1.00 1.45 H new ATOM 0 HG22 THR A 43 -18.853 1.164 4.087 1.00 1.45 H new ATOM 0 HG23 THR A 43 -18.928 -0.572 3.703 1.00 1.45 H new ATOM 638 N GLU A 44 -16.733 0.427 -0.641 1.00 1.18 N ATOM 639 CA GLU A 44 -15.712 0.416 -1.683 1.00 1.11 C ATOM 640 C GLU A 44 -14.316 0.053 -1.149 1.00 0.95 C ATOM 641 O GLU A 44 -13.320 0.616 -1.604 1.00 1.18 O ATOM 642 CB GLU A 44 -15.736 1.754 -2.440 1.00 1.25 C ATOM 643 CG GLU A 44 -16.888 1.822 -3.448 1.00 1.72 C ATOM 644 CD GLU A 44 -16.793 3.083 -4.304 1.00 1.98 C ATOM 645 OE1 GLU A 44 -16.863 4.177 -3.705 1.00 1.66 O ATOM 646 OE2 GLU A 44 -16.636 2.932 -5.538 1.00 3.01 O ATOM 0 H GLU A 44 -17.583 -0.064 -0.919 1.00 1.18 H new ATOM 0 HA GLU A 44 -15.950 -0.380 -2.389 1.00 1.11 H new ATOM 0 HB2 GLU A 44 -15.830 2.573 -1.727 1.00 1.25 H new ATOM 0 HB3 GLU A 44 -14.789 1.893 -2.962 1.00 1.25 H new ATOM 0 HG2 GLU A 44 -16.867 0.941 -4.089 1.00 1.72 H new ATOM 0 HG3 GLU A 44 -17.841 1.809 -2.918 1.00 1.72 H new ATOM 653 N THR A 45 -14.222 -0.911 -0.219 1.00 0.68 N ATOM 654 CA THR A 45 -12.984 -1.250 0.461 1.00 0.53 C ATOM 655 C THR A 45 -12.501 -2.580 -0.102 1.00 0.44 C ATOM 656 O THR A 45 -13.061 -3.614 0.257 1.00 0.49 O ATOM 657 CB THR A 45 -13.248 -1.366 1.969 1.00 0.77 C ATOM 658 OG1 THR A 45 -13.807 -0.173 2.479 1.00 1.14 O ATOM 659 CG2 THR A 45 -11.954 -1.654 2.721 1.00 0.70 C ATOM 0 H THR A 45 -15.017 -1.476 0.077 1.00 0.68 H new ATOM 0 HA THR A 45 -12.226 -0.483 0.306 1.00 0.53 H new ATOM 0 HB THR A 45 -13.950 -2.187 2.113 1.00 0.77 H new ATOM 0 HG1 THR A 45 -14.773 -0.288 2.594 1.00 1.14 H new ATOM 0 HG21 THR A 45 -12.163 -1.732 3.788 1.00 0.70 H new ATOM 0 HG22 THR A 45 -11.527 -2.592 2.365 1.00 0.70 H new ATOM 0 HG23 THR A 45 -11.245 -0.844 2.549 1.00 0.70 H new ATOM 667 N VAL A 46 -11.482 -2.567 -0.961 1.00 0.37 N ATOM 668 CA VAL A 46 -10.892 -3.772 -1.510 1.00 0.37 C ATOM 669 C VAL A 46 -9.874 -4.291 -0.497 1.00 0.34 C ATOM 670 O VAL A 46 -8.943 -3.574 -0.122 1.00 0.37 O ATOM 671 CB VAL A 46 -10.320 -3.501 -2.915 1.00 0.38 C ATOM 672 CG1 VAL A 46 -9.366 -2.300 -3.002 1.00 0.39 C ATOM 673 CG2 VAL A 46 -9.601 -4.732 -3.465 1.00 0.47 C ATOM 0 H VAL A 46 -11.044 -1.708 -1.294 1.00 0.37 H new ATOM 0 HA VAL A 46 -11.633 -4.556 -1.663 1.00 0.37 H new ATOM 0 HB VAL A 46 -11.196 -3.258 -3.517 1.00 0.38 H new ATOM 0 HG11 VAL A 46 -9.015 -2.188 -4.028 1.00 0.39 H new ATOM 0 HG12 VAL A 46 -9.892 -1.395 -2.697 1.00 0.39 H new ATOM 0 HG13 VAL A 46 -8.514 -2.464 -2.343 1.00 0.39 H new ATOM 0 HG21 VAL A 46 -9.208 -4.511 -4.457 1.00 0.47 H new ATOM 0 HG22 VAL A 46 -8.779 -5.000 -2.801 1.00 0.47 H new ATOM 0 HG23 VAL A 46 -10.302 -5.564 -3.530 1.00 0.47 H new ATOM 683 N ASN A 47 -10.093 -5.513 -0.004 1.00 0.33 N ATOM 684 CA ASN A 47 -9.302 -6.141 1.034 1.00 0.38 C ATOM 685 C ASN A 47 -8.771 -7.477 0.517 1.00 0.36 C ATOM 686 O ASN A 47 -9.497 -8.469 0.452 1.00 0.40 O ATOM 687 CB ASN A 47 -10.067 -6.237 2.363 1.00 0.58 C ATOM 688 CG ASN A 47 -11.550 -6.600 2.285 1.00 1.85 C ATOM 689 OD1 ASN A 47 -12.067 -7.062 1.276 1.00 3.39 O ATOM 690 ND2 ASN A 47 -12.279 -6.349 3.367 1.00 2.23 N ATOM 0 H ASN A 47 -10.855 -6.105 -0.335 1.00 0.33 H new ATOM 0 HA ASN A 47 -8.439 -5.518 1.269 1.00 0.38 H new ATOM 0 HB2 ASN A 47 -9.569 -6.979 2.988 1.00 0.58 H new ATOM 0 HB3 ASN A 47 -9.979 -5.278 2.875 1.00 0.58 H new ATOM 0 HD21 ASN A 47 -13.281 -6.541 3.363 1.00 2.23 H new ATOM 0 HD22 ASN A 47 -11.837 -5.964 4.202 1.00 2.23 H new ATOM 697 N VAL A 48 -7.496 -7.487 0.114 1.00 0.36 N ATOM 698 CA VAL A 48 -6.866 -8.617 -0.561 1.00 0.35 C ATOM 699 C VAL A 48 -5.749 -9.154 0.334 1.00 0.39 C ATOM 700 O VAL A 48 -4.942 -8.380 0.851 1.00 0.44 O ATOM 701 CB VAL A 48 -6.344 -8.214 -1.958 1.00 0.36 C ATOM 702 CG1 VAL A 48 -6.051 -9.429 -2.851 1.00 0.32 C ATOM 703 CG2 VAL A 48 -7.351 -7.332 -2.702 1.00 0.48 C ATOM 0 H VAL A 48 -6.867 -6.696 0.252 1.00 0.36 H new ATOM 0 HA VAL A 48 -7.600 -9.405 -0.727 1.00 0.35 H new ATOM 0 HB VAL A 48 -5.420 -7.667 -1.771 1.00 0.36 H new ATOM 0 HG11 VAL A 48 -5.687 -9.089 -3.820 1.00 0.32 H new ATOM 0 HG12 VAL A 48 -5.293 -10.054 -2.378 1.00 0.32 H new ATOM 0 HG13 VAL A 48 -6.964 -10.008 -2.989 1.00 0.32 H new ATOM 0 HG21 VAL A 48 -6.950 -7.068 -3.681 1.00 0.48 H new ATOM 0 HG22 VAL A 48 -8.287 -7.876 -2.828 1.00 0.48 H new ATOM 0 HG23 VAL A 48 -7.533 -6.424 -2.128 1.00 0.48 H new ATOM 713 N ILE A 49 -5.717 -10.476 0.512 1.00 0.45 N ATOM 714 CA ILE A 49 -4.762 -11.196 1.340 1.00 0.55 C ATOM 715 C ILE A 49 -3.924 -12.070 0.412 1.00 0.57 C ATOM 716 O ILE A 49 -4.479 -12.854 -0.364 1.00 0.56 O ATOM 717 CB ILE A 49 -5.507 -12.022 2.403 1.00 0.60 C ATOM 718 CG1 ILE A 49 -6.324 -11.069 3.299 1.00 0.64 C ATOM 719 CG2 ILE A 49 -4.539 -12.883 3.235 1.00 0.67 C ATOM 720 CD1 ILE A 49 -7.226 -11.780 4.311 1.00 1.21 C ATOM 0 H ILE A 49 -6.388 -11.097 0.060 1.00 0.45 H new ATOM 0 HA ILE A 49 -4.106 -10.514 1.880 1.00 0.55 H new ATOM 0 HB ILE A 49 -6.185 -12.714 1.903 1.00 0.60 H new ATOM 0 HG12 ILE A 49 -5.637 -10.416 3.837 1.00 0.64 H new ATOM 0 HG13 ILE A 49 -6.940 -10.431 2.665 1.00 0.64 H new ATOM 0 HG21 ILE A 49 -5.102 -13.452 3.975 1.00 0.67 H new ATOM 0 HG22 ILE A 49 -4.006 -13.570 2.578 1.00 0.67 H new ATOM 0 HG23 ILE A 49 -3.822 -12.237 3.742 1.00 0.67 H new ATOM 0 HD11 ILE A 49 -7.765 -11.039 4.901 1.00 1.21 H new ATOM 0 HD12 ILE A 49 -7.939 -12.412 3.782 1.00 1.21 H new ATOM 0 HD13 ILE A 49 -6.616 -12.396 4.972 1.00 1.21 H new ATOM 732 N TYR A 50 -2.600 -11.896 0.430 1.00 0.64 N ATOM 733 CA TYR A 50 -1.731 -12.534 -0.550 1.00 0.68 C ATOM 734 C TYR A 50 -0.295 -12.635 -0.062 1.00 0.76 C ATOM 735 O TYR A 50 0.075 -11.994 0.923 1.00 0.79 O ATOM 736 CB TYR A 50 -1.781 -11.757 -1.874 1.00 0.67 C ATOM 737 CG TYR A 50 -1.518 -10.278 -1.744 1.00 0.73 C ATOM 738 CD1 TYR A 50 -2.604 -9.432 -1.470 1.00 2.22 C ATOM 739 CD2 TYR A 50 -0.235 -9.736 -1.943 1.00 1.78 C ATOM 740 CE1 TYR A 50 -2.420 -8.051 -1.394 1.00 2.41 C ATOM 741 CE2 TYR A 50 -0.059 -8.341 -1.903 1.00 1.65 C ATOM 742 CZ TYR A 50 -1.155 -7.504 -1.623 1.00 0.99 C ATOM 743 OH TYR A 50 -0.996 -6.154 -1.552 1.00 1.28 O ATOM 0 H TYR A 50 -2.111 -11.318 1.114 1.00 0.64 H new ATOM 0 HA TYR A 50 -2.096 -13.550 -0.702 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -1.048 -12.184 -2.559 1.00 0.67 H new ATOM 0 HB3 TYR A 50 -2.762 -11.900 -2.327 1.00 0.67 H new ATOM 0 HD1 TYR A 50 -3.587 -9.852 -1.317 1.00 2.22 H new ATOM 0 HD2 TYR A 50 0.608 -10.386 -2.125 1.00 1.78 H new ATOM 0 HE1 TYR A 50 -3.254 -7.406 -1.159 1.00 2.41 H new ATOM 0 HE2 TYR A 50 0.915 -7.913 -2.087 1.00 1.65 H new ATOM 0 HH TYR A 50 -1.776 -5.712 -1.947 1.00 1.28 H new ATOM 753 N ASP A 51 0.516 -13.402 -0.798 1.00 0.81 N ATOM 754 CA ASP A 51 1.893 -13.668 -0.432 1.00 0.88 C ATOM 755 C ASP A 51 2.809 -12.572 -0.981 1.00 0.90 C ATOM 756 O ASP A 51 2.815 -12.340 -2.197 1.00 0.89 O ATOM 757 CB ASP A 51 2.325 -15.030 -0.977 1.00 0.95 C ATOM 758 CG ASP A 51 3.444 -15.555 -0.104 1.00 1.19 C ATOM 759 OD1 ASP A 51 4.550 -14.985 -0.223 1.00 2.48 O ATOM 760 OD2 ASP A 51 3.139 -16.441 0.725 1.00 1.82 O ATOM 0 H ASP A 51 0.226 -13.853 -1.666 1.00 0.81 H new ATOM 0 HA ASP A 51 1.970 -13.678 0.655 1.00 0.88 H new ATOM 0 HB2 ASP A 51 1.484 -15.724 -0.976 1.00 0.95 H new ATOM 0 HB3 ASP A 51 2.660 -14.937 -2.010 1.00 0.95 H new ATOM 765 N PRO A 52 3.607 -11.887 -0.147 1.00 0.94 N ATOM 766 CA PRO A 52 4.515 -10.845 -0.603 1.00 0.96 C ATOM 767 C PRO A 52 5.780 -11.432 -1.244 1.00 0.98 C ATOM 768 O PRO A 52 6.867 -10.885 -1.065 1.00 1.04 O ATOM 769 CB PRO A 52 4.843 -10.056 0.670 1.00 1.04 C ATOM 770 CG PRO A 52 4.810 -11.125 1.762 1.00 1.08 C ATOM 771 CD PRO A 52 3.692 -12.057 1.295 1.00 1.01 C ATOM 0 HA PRO A 52 4.072 -10.221 -1.379 1.00 0.96 H new ATOM 0 HB2 PRO A 52 5.820 -9.576 0.606 1.00 1.04 H new ATOM 0 HB3 PRO A 52 4.112 -9.269 0.855 1.00 1.04 H new ATOM 0 HG2 PRO A 52 5.763 -11.647 1.845 1.00 1.08 H new ATOM 0 HG3 PRO A 52 4.596 -10.696 2.741 1.00 1.08 H new ATOM 0 HD2 PRO A 52 3.913 -13.092 1.554 1.00 1.01 H new ATOM 0 HD3 PRO A 52 2.747 -11.804 1.775 1.00 1.01 H new ATOM 779 N ALA A 53 5.649 -12.519 -2.008 1.00 0.95 N ATOM 780 CA ALA A 53 6.799 -13.210 -2.594 1.00 0.98 C ATOM 781 C ALA A 53 6.395 -14.158 -3.714 1.00 0.95 C ATOM 782 O ALA A 53 7.098 -15.119 -4.018 1.00 1.18 O ATOM 783 CB ALA A 53 7.580 -13.972 -1.521 1.00 1.17 C ATOM 0 H ALA A 53 4.749 -12.942 -2.236 1.00 0.95 H new ATOM 0 HA ALA A 53 7.439 -12.441 -3.027 1.00 0.98 H new ATOM 0 HB1 ALA A 53 8.430 -14.478 -1.980 1.00 1.17 H new ATOM 0 HB2 ALA A 53 7.938 -13.272 -0.766 1.00 1.17 H new ATOM 0 HB3 ALA A 53 6.929 -14.710 -1.052 1.00 1.17 H new ATOM 789 N GLU A 54 5.285 -13.823 -4.357 1.00 0.93 N ATOM 790 CA GLU A 54 4.781 -14.475 -5.543 1.00 0.90 C ATOM 791 C GLU A 54 4.156 -13.411 -6.435 1.00 0.88 C ATOM 792 O GLU A 54 4.412 -13.367 -7.636 1.00 1.02 O ATOM 793 CB GLU A 54 3.722 -15.517 -5.174 1.00 0.93 C ATOM 794 CG GLU A 54 4.328 -16.770 -4.529 1.00 0.94 C ATOM 795 CD GLU A 54 3.422 -17.980 -4.712 1.00 0.95 C ATOM 796 OE1 GLU A 54 3.101 -18.262 -5.888 1.00 1.63 O ATOM 797 OE2 GLU A 54 3.070 -18.602 -3.689 1.00 1.94 O ATOM 0 H GLU A 54 4.690 -13.055 -4.047 1.00 0.93 H new ATOM 0 HA GLU A 54 5.596 -14.983 -6.058 1.00 0.90 H new ATOM 0 HB2 GLU A 54 3.002 -15.071 -4.487 1.00 0.93 H new ATOM 0 HB3 GLU A 54 3.172 -15.804 -6.070 1.00 0.93 H new ATOM 0 HG2 GLU A 54 5.303 -16.973 -4.971 1.00 0.94 H new ATOM 0 HG3 GLU A 54 4.490 -16.592 -3.466 1.00 0.94 H new ATOM 804 N THR A 55 3.316 -12.559 -5.837 1.00 0.77 N ATOM 805 CA THR A 55 2.500 -11.617 -6.548 1.00 0.81 C ATOM 806 C THR A 55 3.159 -10.247 -6.417 1.00 0.84 C ATOM 807 O THR A 55 3.950 -9.861 -7.272 1.00 0.92 O ATOM 808 CB THR A 55 1.109 -11.743 -5.931 1.00 0.88 C ATOM 809 OG1 THR A 55 0.565 -13.001 -6.284 1.00 0.92 O ATOM 810 CG2 THR A 55 0.183 -10.669 -6.448 1.00 0.92 C ATOM 0 H THR A 55 3.195 -12.518 -4.825 1.00 0.77 H new ATOM 0 HA THR A 55 2.403 -11.790 -7.620 1.00 0.81 H new ATOM 0 HB THR A 55 1.203 -11.640 -4.850 1.00 0.88 H new ATOM 0 HG1 THR A 55 -0.328 -13.093 -5.891 1.00 0.92 H new ATOM 0 HG21 THR A 55 -0.800 -10.785 -5.991 1.00 0.92 H new ATOM 0 HG22 THR A 55 0.587 -9.688 -6.197 1.00 0.92 H new ATOM 0 HG23 THR A 55 0.092 -10.757 -7.531 1.00 0.92 H new ATOM 818 N GLY A 56 2.859 -9.523 -5.335 1.00 0.82 N ATOM 819 CA GLY A 56 3.454 -8.230 -5.077 1.00 0.84 C ATOM 820 C GLY A 56 2.352 -7.198 -5.201 1.00 0.74 C ATOM 821 O GLY A 56 1.698 -7.100 -6.234 1.00 0.72 O ATOM 0 H GLY A 56 2.197 -9.825 -4.621 1.00 0.82 H new ATOM 0 HA2 GLY A 56 3.897 -8.202 -4.082 1.00 0.84 H new ATOM 0 HA3 GLY A 56 4.254 -8.026 -5.788 1.00 0.84 H new ATOM 825 N THR A 57 2.128 -6.460 -4.119 1.00 0.68 N ATOM 826 CA THR A 57 1.089 -5.441 -4.003 1.00 0.60 C ATOM 827 C THR A 57 0.936 -4.576 -5.266 1.00 0.63 C ATOM 828 O THR A 57 -0.176 -4.371 -5.755 1.00 0.54 O ATOM 829 CB THR A 57 1.279 -4.670 -2.696 1.00 0.70 C ATOM 830 OG1 THR A 57 0.189 -3.817 -2.449 1.00 0.82 O ATOM 831 CG2 THR A 57 2.589 -3.904 -2.655 1.00 0.88 C ATOM 0 H THR A 57 2.683 -6.558 -3.269 1.00 0.68 H new ATOM 0 HA THR A 57 0.116 -5.928 -3.942 1.00 0.60 H new ATOM 0 HB THR A 57 1.324 -5.412 -1.899 1.00 0.70 H new ATOM 0 HG1 THR A 57 -0.541 -4.329 -2.042 1.00 0.82 H new ATOM 0 HG21 THR A 57 2.672 -3.375 -1.705 1.00 0.88 H new ATOM 0 HG22 THR A 57 3.421 -4.601 -2.756 1.00 0.88 H new ATOM 0 HG23 THR A 57 2.616 -3.185 -3.474 1.00 0.88 H new ATOM 839 N ALA A 58 2.058 -4.151 -5.854 1.00 0.76 N ATOM 840 CA ALA A 58 2.051 -3.384 -7.089 1.00 0.79 C ATOM 841 C ALA A 58 1.282 -4.112 -8.194 1.00 0.75 C ATOM 842 O ALA A 58 0.474 -3.515 -8.895 1.00 0.74 O ATOM 843 CB ALA A 58 3.484 -3.063 -7.515 1.00 0.90 C ATOM 0 H ALA A 58 2.991 -4.332 -5.483 1.00 0.76 H new ATOM 0 HA ALA A 58 1.530 -2.444 -6.910 1.00 0.79 H new ATOM 0 HB1 ALA A 58 3.468 -2.488 -8.441 1.00 0.90 H new ATOM 0 HB2 ALA A 58 3.974 -2.480 -6.735 1.00 0.90 H new ATOM 0 HB3 ALA A 58 4.033 -3.991 -7.673 1.00 0.90 H new ATOM 849 N ALA A 59 1.488 -5.421 -8.336 1.00 0.75 N ATOM 850 CA ALA A 59 0.773 -6.201 -9.331 1.00 0.72 C ATOM 851 C ALA A 59 -0.719 -6.296 -9.005 1.00 0.61 C ATOM 852 O ALA A 59 -1.545 -6.400 -9.911 1.00 0.56 O ATOM 853 CB ALA A 59 1.372 -7.594 -9.437 1.00 0.77 C ATOM 0 H ALA A 59 2.146 -5.959 -7.772 1.00 0.75 H new ATOM 0 HA ALA A 59 0.876 -5.691 -10.289 1.00 0.72 H new ATOM 0 HB1 ALA A 59 0.827 -8.168 -10.186 1.00 0.77 H new ATOM 0 HB2 ALA A 59 2.419 -7.518 -9.729 1.00 0.77 H new ATOM 0 HB3 ALA A 59 1.300 -8.096 -8.472 1.00 0.77 H new ATOM 859 N ILE A 60 -1.076 -6.274 -7.718 1.00 0.62 N ATOM 860 CA ILE A 60 -2.477 -6.267 -7.318 1.00 0.54 C ATOM 861 C ILE A 60 -3.110 -4.995 -7.893 1.00 0.51 C ATOM 862 O ILE A 60 -4.087 -5.068 -8.640 1.00 0.47 O ATOM 863 CB ILE A 60 -2.639 -6.345 -5.784 1.00 0.59 C ATOM 864 CG1 ILE A 60 -1.726 -7.355 -5.072 1.00 0.83 C ATOM 865 CG2 ILE A 60 -4.077 -6.654 -5.370 1.00 0.40 C ATOM 866 CD1 ILE A 60 -2.191 -8.807 -5.061 1.00 0.64 C ATOM 0 H ILE A 60 -0.414 -6.261 -6.942 1.00 0.62 H new ATOM 0 HA ILE A 60 -2.983 -7.150 -7.709 1.00 0.54 H new ATOM 0 HB ILE A 60 -2.340 -5.347 -5.465 1.00 0.59 H new ATOM 0 HG12 ILE A 60 -0.743 -7.316 -5.542 1.00 0.83 H new ATOM 0 HG13 ILE A 60 -1.599 -7.030 -4.039 1.00 0.83 H new ATOM 0 HG21 ILE A 60 -4.141 -6.699 -4.283 1.00 0.40 H new ATOM 0 HG22 ILE A 60 -4.739 -5.871 -5.740 1.00 0.40 H new ATOM 0 HG23 ILE A 60 -4.379 -7.613 -5.791 1.00 0.40 H new ATOM 0 HD11 ILE A 60 -1.462 -9.419 -4.529 1.00 0.64 H new ATOM 0 HD12 ILE A 60 -3.157 -8.876 -4.560 1.00 0.64 H new ATOM 0 HD13 ILE A 60 -2.287 -9.166 -6.086 1.00 0.64 H new ATOM 878 N GLN A 61 -2.517 -3.827 -7.596 1.00 0.56 N ATOM 879 CA GLN A 61 -3.057 -2.559 -8.070 1.00 0.57 C ATOM 880 C GLN A 61 -3.018 -2.519 -9.605 1.00 0.57 C ATOM 881 O GLN A 61 -3.976 -2.084 -10.240 1.00 0.58 O ATOM 882 CB GLN A 61 -2.402 -1.362 -7.344 1.00 0.66 C ATOM 883 CG GLN A 61 -1.267 -0.657 -8.099 1.00 0.89 C ATOM 884 CD GLN A 61 -0.409 0.215 -7.188 1.00 1.14 C ATOM 885 OE1 GLN A 61 0.600 -0.263 -6.685 1.00 2.04 O ATOM 886 NE2 GLN A 61 -0.763 1.476 -6.962 1.00 1.42 N ATOM 0 H GLN A 61 -1.670 -3.743 -7.034 1.00 0.56 H new ATOM 0 HA GLN A 61 -4.111 -2.470 -7.807 1.00 0.57 H new ATOM 0 HB2 GLN A 61 -3.177 -0.627 -7.124 1.00 0.66 H new ATOM 0 HB3 GLN A 61 -2.013 -1.711 -6.387 1.00 0.66 H new ATOM 0 HG2 GLN A 61 -0.636 -1.405 -8.580 1.00 0.89 H new ATOM 0 HG3 GLN A 61 -1.691 -0.041 -8.892 1.00 0.89 H new ATOM 0 HE21 GLN A 61 -1.608 1.853 -7.392 1.00 1.42 H new ATOM 0 HE22 GLN A 61 -0.190 2.066 -6.359 1.00 1.42 H new ATOM 895 N GLU A 62 -1.957 -3.072 -10.207 1.00 0.59 N ATOM 896 CA GLU A 62 -1.848 -3.196 -11.653 1.00 0.61 C ATOM 897 C GLU A 62 -3.061 -3.950 -12.208 1.00 0.57 C ATOM 898 O GLU A 62 -3.589 -3.598 -13.264 1.00 0.61 O ATOM 899 CB GLU A 62 -0.531 -3.919 -11.974 1.00 0.71 C ATOM 900 CG GLU A 62 -0.189 -4.049 -13.460 1.00 0.88 C ATOM 901 CD GLU A 62 0.103 -2.712 -14.128 1.00 2.45 C ATOM 902 OE1 GLU A 62 0.520 -1.778 -13.419 1.00 4.01 O ATOM 903 OE2 GLU A 62 -0.052 -2.690 -15.369 1.00 2.98 O ATOM 0 H GLU A 62 -1.154 -3.444 -9.699 1.00 0.59 H new ATOM 0 HA GLU A 62 -1.838 -2.214 -12.126 1.00 0.61 H new ATOM 0 HB2 GLU A 62 0.283 -3.390 -11.478 1.00 0.71 H new ATOM 0 HB3 GLU A 62 -0.572 -4.918 -11.541 1.00 0.71 H new ATOM 0 HG2 GLU A 62 0.678 -4.700 -13.571 1.00 0.88 H new ATOM 0 HG3 GLU A 62 -1.019 -4.532 -13.976 1.00 0.88 H new ATOM 910 N LYS A 63 -3.517 -5.002 -11.516 1.00 0.54 N ATOM 911 CA LYS A 63 -4.635 -5.786 -11.974 1.00 0.53 C ATOM 912 C LYS A 63 -5.913 -4.954 -11.872 1.00 0.48 C ATOM 913 O LYS A 63 -6.694 -4.941 -12.818 1.00 0.48 O ATOM 914 CB LYS A 63 -4.684 -7.087 -11.168 1.00 0.56 C ATOM 915 CG LYS A 63 -5.262 -8.261 -11.961 1.00 0.73 C ATOM 916 CD LYS A 63 -4.218 -9.109 -12.704 1.00 1.24 C ATOM 917 CE LYS A 63 -3.583 -8.386 -13.898 1.00 1.28 C ATOM 918 NZ LYS A 63 -2.743 -9.296 -14.704 1.00 2.31 N ATOM 0 H LYS A 63 -3.115 -5.319 -10.633 1.00 0.54 H new ATOM 0 HA LYS A 63 -4.529 -6.061 -13.023 1.00 0.53 H new ATOM 0 HB2 LYS A 63 -3.677 -7.341 -10.836 1.00 0.56 H new ATOM 0 HB3 LYS A 63 -5.285 -6.930 -10.272 1.00 0.56 H new ATOM 0 HG2 LYS A 63 -5.815 -8.906 -11.278 1.00 0.73 H new ATOM 0 HG3 LYS A 63 -5.979 -7.875 -12.686 1.00 0.73 H new ATOM 0 HD2 LYS A 63 -3.433 -9.399 -12.006 1.00 1.24 H new ATOM 0 HD3 LYS A 63 -4.689 -10.027 -13.054 1.00 1.24 H new ATOM 0 HE2 LYS A 63 -4.367 -7.963 -14.526 1.00 1.28 H new ATOM 0 HE3 LYS A 63 -2.977 -7.554 -13.539 1.00 1.28 H new ATOM 0 HZ1 LYS A 63 -2.331 -8.772 -15.502 1.00 2.31 H new ATOM 0 HZ2 LYS A 63 -1.980 -9.681 -14.111 1.00 2.31 H new ATOM 0 HZ3 LYS A 63 -3.326 -10.077 -15.067 1.00 2.31 H new ATOM 932 N ILE A 64 -6.115 -4.239 -10.757 1.00 0.46 N ATOM 933 CA ILE A 64 -7.237 -3.317 -10.597 1.00 0.43 C ATOM 934 C ILE A 64 -7.288 -2.352 -11.789 1.00 0.44 C ATOM 935 O ILE A 64 -8.335 -2.199 -12.424 1.00 0.46 O ATOM 936 CB ILE A 64 -7.133 -2.566 -9.250 1.00 0.45 C ATOM 937 CG1 ILE A 64 -7.088 -3.493 -8.024 1.00 0.58 C ATOM 938 CG2 ILE A 64 -8.241 -1.518 -9.097 1.00 0.45 C ATOM 939 CD1 ILE A 64 -8.472 -3.986 -7.636 1.00 1.90 C ATOM 0 H ILE A 64 -5.502 -4.287 -9.943 1.00 0.46 H new ATOM 0 HA ILE A 64 -8.170 -3.880 -10.580 1.00 0.43 H new ATOM 0 HB ILE A 64 -6.171 -2.054 -9.282 1.00 0.45 H new ATOM 0 HG12 ILE A 64 -6.445 -4.347 -8.238 1.00 0.58 H new ATOM 0 HG13 ILE A 64 -6.643 -2.961 -7.183 1.00 0.58 H new ATOM 0 HG21 ILE A 64 -8.133 -1.012 -8.138 1.00 0.45 H new ATOM 0 HG22 ILE A 64 -8.165 -0.788 -9.903 1.00 0.45 H new ATOM 0 HG23 ILE A 64 -9.214 -2.008 -9.142 1.00 0.45 H new ATOM 0 HD11 ILE A 64 -8.395 -4.638 -6.766 1.00 1.90 H new ATOM 0 HD12 ILE A 64 -9.108 -3.134 -7.396 1.00 1.90 H new ATOM 0 HD13 ILE A 64 -8.907 -4.541 -8.467 1.00 1.90 H new ATOM 951 N GLU A 65 -6.154 -1.727 -12.119 1.00 0.47 N ATOM 952 CA GLU A 65 -6.102 -0.802 -13.241 1.00 0.50 C ATOM 953 C GLU A 65 -6.420 -1.511 -14.564 1.00 0.54 C ATOM 954 O GLU A 65 -7.293 -1.058 -15.300 1.00 0.58 O ATOM 955 CB GLU A 65 -4.783 -0.022 -13.255 1.00 0.58 C ATOM 956 CG GLU A 65 -4.687 0.863 -12.000 1.00 0.65 C ATOM 957 CD GLU A 65 -3.589 1.915 -12.103 1.00 1.01 C ATOM 958 OE1 GLU A 65 -3.602 2.648 -13.116 1.00 2.02 O ATOM 959 OE2 GLU A 65 -2.777 1.985 -11.155 1.00 1.27 O ATOM 0 H GLU A 65 -5.269 -1.847 -11.626 1.00 0.47 H new ATOM 0 HA GLU A 65 -6.886 -0.055 -13.114 1.00 0.50 H new ATOM 0 HB2 GLU A 65 -3.941 -0.714 -13.289 1.00 0.58 H new ATOM 0 HB3 GLU A 65 -4.724 0.595 -14.152 1.00 0.58 H new ATOM 0 HG2 GLU A 65 -5.644 1.358 -11.836 1.00 0.65 H new ATOM 0 HG3 GLU A 65 -4.500 0.233 -11.130 1.00 0.65 H new ATOM 966 N LYS A 66 -5.779 -2.647 -14.861 1.00 0.55 N ATOM 967 CA LYS A 66 -6.108 -3.449 -16.038 1.00 0.60 C ATOM 968 C LYS A 66 -7.591 -3.839 -16.103 1.00 0.59 C ATOM 969 O LYS A 66 -8.161 -3.886 -17.191 1.00 0.65 O ATOM 970 CB LYS A 66 -5.204 -4.689 -16.095 1.00 0.65 C ATOM 971 CG LYS A 66 -3.938 -4.438 -16.928 1.00 0.87 C ATOM 972 CD LYS A 66 -2.635 -4.760 -16.187 1.00 1.31 C ATOM 973 CE LYS A 66 -1.522 -5.090 -17.198 1.00 1.67 C ATOM 974 NZ LYS A 66 -0.174 -4.939 -16.619 1.00 2.57 N ATOM 0 H LYS A 66 -5.023 -3.032 -14.295 1.00 0.55 H new ATOM 0 HA LYS A 66 -5.924 -2.829 -16.915 1.00 0.60 H new ATOM 0 HB2 LYS A 66 -4.921 -4.979 -15.083 1.00 0.65 H new ATOM 0 HB3 LYS A 66 -5.760 -5.524 -16.522 1.00 0.65 H new ATOM 0 HG2 LYS A 66 -3.987 -5.039 -17.836 1.00 0.87 H new ATOM 0 HG3 LYS A 66 -3.920 -3.393 -17.238 1.00 0.87 H new ATOM 0 HD2 LYS A 66 -2.338 -3.911 -15.571 1.00 1.31 H new ATOM 0 HD3 LYS A 66 -2.789 -5.604 -15.514 1.00 1.31 H new ATOM 0 HE2 LYS A 66 -1.649 -6.112 -17.554 1.00 1.67 H new ATOM 0 HE3 LYS A 66 -1.617 -4.437 -18.065 1.00 1.67 H new ATOM 0 HZ1 LYS A 66 0.533 -5.315 -17.282 1.00 2.57 H new ATOM 0 HZ2 LYS A 66 0.018 -3.932 -16.443 1.00 2.57 H new ATOM 0 HZ3 LYS A 66 -0.121 -5.463 -15.722 1.00 2.57 H new ATOM 988 N LEU A 67 -8.226 -4.127 -14.964 1.00 0.54 N ATOM 989 CA LEU A 67 -9.657 -4.408 -14.914 1.00 0.55 C ATOM 990 C LEU A 67 -10.508 -3.174 -15.251 1.00 0.57 C ATOM 991 O LEU A 67 -11.701 -3.319 -15.506 1.00 0.63 O ATOM 992 CB LEU A 67 -10.041 -5.034 -13.565 1.00 0.51 C ATOM 993 CG LEU A 67 -10.045 -6.574 -13.626 1.00 0.60 C ATOM 994 CD1 LEU A 67 -9.228 -7.138 -12.471 1.00 1.64 C ATOM 995 CD2 LEU A 67 -11.481 -7.115 -13.586 1.00 1.94 C ATOM 0 H LEU A 67 -7.762 -4.171 -14.056 1.00 0.54 H new ATOM 0 HA LEU A 67 -9.877 -5.140 -15.691 1.00 0.55 H new ATOM 0 HB2 LEU A 67 -9.340 -4.703 -12.799 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -11.028 -4.680 -13.268 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.593 -6.889 -14.566 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -9.234 -8.227 -12.519 1.00 1.64 H new ATOM 0 HD12 LEU A 67 -8.202 -6.777 -12.541 1.00 1.64 H new ATOM 0 HD13 LEU A 67 -9.663 -6.814 -11.525 1.00 1.64 H new ATOM 0 HD21 LEU A 67 -11.461 -8.204 -13.630 1.00 1.94 H new ATOM 0 HD22 LEU A 67 -11.964 -6.798 -12.661 1.00 1.94 H new ATOM 0 HD23 LEU A 67 -12.040 -6.728 -14.438 1.00 1.94 H new ATOM 1007 N GLY A 68 -9.918 -1.974 -15.264 1.00 0.54 N ATOM 1008 CA GLY A 68 -10.587 -0.739 -15.643 1.00 0.56 C ATOM 1009 C GLY A 68 -11.213 -0.055 -14.431 1.00 0.51 C ATOM 1010 O GLY A 68 -12.327 0.459 -14.516 1.00 0.60 O ATOM 0 H GLY A 68 -8.941 -1.839 -15.005 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -9.872 -0.065 -16.115 1.00 0.56 H new ATOM 0 HA3 GLY A 68 -11.359 -0.953 -16.382 1.00 0.56 H new ATOM 1014 N TYR A 69 -10.493 -0.045 -13.307 1.00 0.43 N ATOM 1015 CA TYR A 69 -10.894 0.621 -12.070 1.00 0.43 C ATOM 1016 C TYR A 69 -9.773 1.555 -11.625 1.00 0.42 C ATOM 1017 O TYR A 69 -8.713 1.579 -12.246 1.00 0.45 O ATOM 1018 CB TYR A 69 -11.191 -0.439 -11.007 1.00 0.42 C ATOM 1019 CG TYR A 69 -12.392 -1.295 -11.340 1.00 0.49 C ATOM 1020 CD1 TYR A 69 -12.253 -2.354 -12.251 1.00 1.89 C ATOM 1021 CD2 TYR A 69 -13.656 -0.994 -10.805 1.00 1.76 C ATOM 1022 CE1 TYR A 69 -13.381 -3.069 -12.685 1.00 1.99 C ATOM 1023 CE2 TYR A 69 -14.784 -1.707 -11.240 1.00 1.78 C ATOM 1024 CZ TYR A 69 -14.651 -2.727 -12.197 1.00 0.84 C ATOM 1025 OH TYR A 69 -15.752 -3.387 -12.655 1.00 1.07 O ATOM 0 H TYR A 69 -9.590 -0.514 -13.232 1.00 0.43 H new ATOM 0 HA TYR A 69 -11.795 1.214 -12.224 1.00 0.43 H new ATOM 0 HB2 TYR A 69 -10.318 -1.080 -10.888 1.00 0.42 H new ATOM 0 HB3 TYR A 69 -11.358 0.053 -10.049 1.00 0.42 H new ATOM 0 HD1 TYR A 69 -11.274 -2.620 -12.620 1.00 1.89 H new ATOM 0 HD2 TYR A 69 -13.759 -0.217 -10.062 1.00 1.76 H new ATOM 0 HE1 TYR A 69 -13.271 -3.879 -13.391 1.00 1.99 H new ATOM 0 HE2 TYR A 69 -15.758 -1.471 -10.838 1.00 1.78 H new ATOM 0 HH TYR A 69 -16.554 -2.856 -12.467 1.00 1.07 H new ATOM 1035 N HIS A 70 -10.002 2.324 -10.556 1.00 0.44 N ATOM 1036 CA HIS A 70 -8.988 3.202 -9.982 1.00 0.47 C ATOM 1037 C HIS A 70 -8.908 2.948 -8.479 1.00 0.44 C ATOM 1038 O HIS A 70 -9.927 2.654 -7.860 1.00 0.59 O ATOM 1039 CB HIS A 70 -9.327 4.669 -10.291 1.00 0.65 C ATOM 1040 CG HIS A 70 -8.136 5.448 -10.793 1.00 0.99 C ATOM 1041 ND1 HIS A 70 -7.801 5.646 -12.113 1.00 1.50 N ATOM 1042 CD2 HIS A 70 -7.157 6.021 -10.026 1.00 2.49 C ATOM 1043 CE1 HIS A 70 -6.649 6.339 -12.137 1.00 1.70 C ATOM 1044 NE2 HIS A 70 -6.222 6.597 -10.891 1.00 2.57 N ATOM 0 H HIS A 70 -10.897 2.352 -10.067 1.00 0.44 H new ATOM 0 HA HIS A 70 -8.013 2.992 -10.423 1.00 0.47 H new ATOM 0 HB2 HIS A 70 -10.120 4.705 -11.037 1.00 0.65 H new ATOM 0 HB3 HIS A 70 -9.715 5.146 -9.391 1.00 0.65 H new ATOM 0 HD2 HIS A 70 -7.115 6.027 -8.947 1.00 2.49 H new ATOM 0 HE1 HIS A 70 -6.137 6.646 -13.037 1.00 1.70 H new ATOM 0 HE2 HIS A 70 -5.382 7.111 -10.627 1.00 2.57 H new ATOM 1052 N VAL A 71 -7.710 3.046 -7.898 1.00 0.42 N ATOM 1053 CA VAL A 71 -7.493 2.904 -6.468 1.00 0.43 C ATOM 1054 C VAL A 71 -7.494 4.288 -5.812 1.00 0.50 C ATOM 1055 O VAL A 71 -6.965 5.244 -6.376 1.00 0.56 O ATOM 1056 CB VAL A 71 -6.196 2.126 -6.198 1.00 0.42 C ATOM 1057 CG1 VAL A 71 -6.323 0.677 -6.682 1.00 0.46 C ATOM 1058 CG2 VAL A 71 -4.950 2.768 -6.822 1.00 0.45 C ATOM 0 H VAL A 71 -6.854 3.229 -8.422 1.00 0.42 H new ATOM 0 HA VAL A 71 -8.304 2.326 -6.024 1.00 0.43 H new ATOM 0 HB VAL A 71 -6.058 2.151 -5.117 1.00 0.42 H new ATOM 0 HG11 VAL A 71 -5.394 0.144 -6.481 1.00 0.46 H new ATOM 0 HG12 VAL A 71 -7.143 0.188 -6.156 1.00 0.46 H new ATOM 0 HG13 VAL A 71 -6.523 0.667 -7.754 1.00 0.46 H new ATOM 0 HG21 VAL A 71 -4.074 2.163 -6.589 1.00 0.45 H new ATOM 0 HG22 VAL A 71 -5.074 2.826 -7.903 1.00 0.45 H new ATOM 0 HG23 VAL A 71 -4.816 3.771 -6.417 1.00 0.45 H new ATOM 1068 N VAL A 72 -8.088 4.404 -4.624 1.00 0.56 N ATOM 1069 CA VAL A 72 -7.997 5.612 -3.817 1.00 0.66 C ATOM 1070 C VAL A 72 -6.705 5.484 -3.015 1.00 0.85 C ATOM 1071 O VAL A 72 -6.679 4.873 -1.943 1.00 1.48 O ATOM 1072 CB VAL A 72 -9.244 5.755 -2.933 1.00 0.72 C ATOM 1073 CG1 VAL A 72 -9.134 6.963 -1.991 1.00 1.01 C ATOM 1074 CG2 VAL A 72 -10.503 5.903 -3.798 1.00 0.66 C ATOM 0 H VAL A 72 -8.644 3.662 -4.198 1.00 0.56 H new ATOM 0 HA VAL A 72 -7.966 6.519 -4.421 1.00 0.66 H new ATOM 0 HB VAL A 72 -9.317 4.850 -2.330 1.00 0.72 H new ATOM 0 HG11 VAL A 72 -10.035 7.032 -1.381 1.00 1.01 H new ATOM 0 HG12 VAL A 72 -8.266 6.841 -1.343 1.00 1.01 H new ATOM 0 HG13 VAL A 72 -9.023 7.874 -2.579 1.00 1.01 H new ATOM 0 HG21 VAL A 72 -11.377 6.003 -3.154 1.00 0.66 H new ATOM 0 HG22 VAL A 72 -10.411 6.789 -4.426 1.00 0.66 H new ATOM 0 HG23 VAL A 72 -10.616 5.022 -4.429 1.00 0.66 H new ATOM 1084 N THR A 73 -5.602 5.968 -3.582 1.00 0.64 N ATOM 1085 CA THR A 73 -4.270 5.790 -3.028 1.00 0.66 C ATOM 1086 C THR A 73 -3.393 6.918 -3.581 1.00 0.72 C ATOM 1087 O THR A 73 -3.464 7.190 -4.780 1.00 0.77 O ATOM 1088 CB THR A 73 -3.749 4.384 -3.392 1.00 0.68 C ATOM 1089 OG1 THR A 73 -4.786 3.420 -3.359 1.00 0.81 O ATOM 1090 CG2 THR A 73 -2.722 3.915 -2.373 1.00 0.77 C ATOM 0 H THR A 73 -5.613 6.502 -4.451 1.00 0.64 H new ATOM 0 HA THR A 73 -4.263 5.848 -1.940 1.00 0.66 H new ATOM 0 HB THR A 73 -3.324 4.468 -4.392 1.00 0.68 H new ATOM 0 HG1 THR A 73 -4.423 2.541 -3.596 1.00 0.81 H new ATOM 0 HG21 THR A 73 -2.366 2.922 -2.646 1.00 0.77 H new ATOM 0 HG22 THR A 73 -1.882 4.610 -2.357 1.00 0.77 H new ATOM 0 HG23 THR A 73 -3.181 3.877 -1.385 1.00 0.77 H new ATOM 1098 N GLU A 74 -2.648 7.625 -2.721 1.00 0.74 N ATOM 1099 CA GLU A 74 -1.934 8.847 -3.078 1.00 0.81 C ATOM 1100 C GLU A 74 -0.444 8.719 -2.776 1.00 0.67 C ATOM 1101 O GLU A 74 -0.070 8.241 -1.704 1.00 0.63 O ATOM 1102 CB GLU A 74 -2.521 10.047 -2.325 1.00 0.95 C ATOM 1103 CG GLU A 74 -3.975 10.293 -2.743 1.00 1.57 C ATOM 1104 CD GLU A 74 -4.472 11.657 -2.282 1.00 2.61 C ATOM 1105 OE1 GLU A 74 -4.182 12.001 -1.116 1.00 3.75 O ATOM 1106 OE2 GLU A 74 -5.126 12.329 -3.106 1.00 3.12 O ATOM 0 H GLU A 74 -2.526 7.356 -1.745 1.00 0.74 H new ATOM 0 HA GLU A 74 -2.054 9.006 -4.150 1.00 0.81 H new ATOM 0 HB2 GLU A 74 -2.472 9.868 -1.251 1.00 0.95 H new ATOM 0 HB3 GLU A 74 -1.924 10.936 -2.527 1.00 0.95 H new ATOM 0 HG2 GLU A 74 -4.058 10.223 -3.828 1.00 1.57 H new ATOM 0 HG3 GLU A 74 -4.611 9.513 -2.323 1.00 1.57 H new ATOM 1113 N LYS A 75 0.380 9.179 -3.728 1.00 0.68 N ATOM 1114 CA LYS A 75 1.834 9.216 -3.646 1.00 0.63 C ATOM 1115 C LYS A 75 2.313 10.517 -2.997 1.00 0.58 C ATOM 1116 O LYS A 75 2.476 11.530 -3.674 1.00 0.74 O ATOM 1117 CB LYS A 75 2.473 8.919 -5.011 1.00 0.74 C ATOM 1118 CG LYS A 75 2.194 9.963 -6.098 1.00 0.90 C ATOM 1119 CD LYS A 75 2.282 9.330 -7.494 1.00 1.27 C ATOM 1120 CE LYS A 75 0.977 8.588 -7.840 1.00 3.33 C ATOM 1121 NZ LYS A 75 1.117 7.721 -9.028 1.00 4.48 N ATOM 0 H LYS A 75 0.029 9.550 -4.611 1.00 0.68 H new ATOM 0 HA LYS A 75 2.175 8.417 -2.987 1.00 0.63 H new ATOM 0 HB2 LYS A 75 3.552 8.833 -4.879 1.00 0.74 H new ATOM 0 HB3 LYS A 75 2.116 7.950 -5.359 1.00 0.74 H new ATOM 0 HG2 LYS A 75 1.204 10.393 -5.950 1.00 0.90 H new ATOM 0 HG3 LYS A 75 2.912 10.780 -6.018 1.00 0.90 H new ATOM 0 HD2 LYS A 75 2.474 10.103 -8.238 1.00 1.27 H new ATOM 0 HD3 LYS A 75 3.122 8.636 -7.531 1.00 1.27 H new ATOM 0 HE2 LYS A 75 0.670 7.983 -6.987 1.00 3.33 H new ATOM 0 HE3 LYS A 75 0.185 9.316 -8.017 1.00 3.33 H new ATOM 0 HZ1 LYS A 75 0.212 7.245 -9.219 1.00 4.48 H new ATOM 0 HZ2 LYS A 75 1.384 8.299 -9.850 1.00 4.48 H new ATOM 0 HZ3 LYS A 75 1.853 7.008 -8.853 1.00 4.48 H new ATOM 1135 N ALA A 76 2.537 10.480 -1.684 1.00 0.48 N ATOM 1136 CA ALA A 76 3.151 11.585 -0.934 1.00 0.49 C ATOM 1137 C ALA A 76 4.662 11.353 -0.766 1.00 0.46 C ATOM 1138 O ALA A 76 5.107 10.213 -0.864 1.00 0.56 O ATOM 1139 CB ALA A 76 2.448 11.742 0.419 1.00 0.59 C ATOM 0 H ALA A 76 2.297 9.677 -1.102 1.00 0.48 H new ATOM 0 HA ALA A 76 3.028 12.513 -1.493 1.00 0.49 H new ATOM 0 HB1 ALA A 76 2.905 12.562 0.973 1.00 0.59 H new ATOM 0 HB2 ALA A 76 1.392 11.957 0.257 1.00 0.59 H new ATOM 0 HB3 ALA A 76 2.547 10.819 0.990 1.00 0.59 H new ATOM 1145 N GLU A 77 5.449 12.411 -0.507 1.00 0.52 N ATOM 1146 CA GLU A 77 6.875 12.327 -0.188 1.00 0.54 C ATOM 1147 C GLU A 77 7.137 12.870 1.215 1.00 0.45 C ATOM 1148 O GLU A 77 6.779 14.012 1.512 1.00 0.49 O ATOM 1149 CB GLU A 77 7.737 13.131 -1.174 1.00 0.73 C ATOM 1150 CG GLU A 77 8.252 12.310 -2.362 1.00 1.23 C ATOM 1151 CD GLU A 77 9.673 12.743 -2.730 1.00 1.93 C ATOM 1152 OE1 GLU A 77 10.600 12.364 -1.978 1.00 3.54 O ATOM 1153 OE2 GLU A 77 9.808 13.505 -3.712 1.00 2.09 O ATOM 0 H GLU A 77 5.098 13.369 -0.515 1.00 0.52 H new ATOM 0 HA GLU A 77 7.147 11.274 -0.255 1.00 0.54 H new ATOM 0 HB2 GLU A 77 7.153 13.970 -1.551 1.00 0.73 H new ATOM 0 HB3 GLU A 77 8.589 13.550 -0.638 1.00 0.73 H new ATOM 0 HG2 GLU A 77 8.241 11.249 -2.112 1.00 1.23 H new ATOM 0 HG3 GLU A 77 7.591 12.442 -3.218 1.00 1.23 H new ATOM 1160 N PHE A 78 7.832 12.081 2.037 1.00 0.45 N ATOM 1161 CA PHE A 78 8.259 12.447 3.378 1.00 0.42 C ATOM 1162 C PHE A 78 9.779 12.314 3.468 1.00 0.45 C ATOM 1163 O PHE A 78 10.374 11.498 2.778 1.00 0.59 O ATOM 1164 CB PHE A 78 7.526 11.564 4.397 1.00 0.51 C ATOM 1165 CG PHE A 78 6.006 11.690 4.405 1.00 0.43 C ATOM 1166 CD1 PHE A 78 5.364 12.894 4.047 1.00 1.88 C ATOM 1167 CD2 PHE A 78 5.220 10.571 4.733 1.00 1.51 C ATOM 1168 CE1 PHE A 78 3.973 12.941 3.883 1.00 2.04 C ATOM 1169 CE2 PHE A 78 3.821 10.645 4.630 1.00 1.57 C ATOM 1170 CZ PHE A 78 3.199 11.808 4.152 1.00 1.01 C ATOM 0 H PHE A 78 8.120 11.139 1.773 1.00 0.45 H new ATOM 0 HA PHE A 78 8.006 13.483 3.604 1.00 0.42 H new ATOM 0 HB2 PHE A 78 7.785 10.523 4.202 1.00 0.51 H new ATOM 0 HB3 PHE A 78 7.898 11.804 5.393 1.00 0.51 H new ATOM 0 HD1 PHE A 78 5.950 13.789 3.898 1.00 1.88 H new ATOM 0 HD2 PHE A 78 5.691 9.657 5.063 1.00 1.51 H new ATOM 0 HE1 PHE A 78 3.499 13.852 3.549 1.00 2.04 H new ATOM 0 HE2 PHE A 78 3.218 9.798 4.922 1.00 1.57 H new ATOM 0 HZ PHE A 78 2.131 11.828 3.993 1.00 1.01 H new ATOM 1180 N ASP A 79 10.402 13.159 4.283 1.00 0.46 N ATOM 1181 CA ASP A 79 11.843 13.330 4.426 1.00 0.47 C ATOM 1182 C ASP A 79 12.297 12.630 5.717 1.00 0.52 C ATOM 1183 O ASP A 79 11.544 12.641 6.684 1.00 0.68 O ATOM 1184 CB ASP A 79 12.075 14.848 4.437 1.00 0.54 C ATOM 1185 CG ASP A 79 13.448 15.264 4.929 1.00 0.68 C ATOM 1186 OD1 ASP A 79 14.399 14.501 4.672 1.00 1.76 O ATOM 1187 OD2 ASP A 79 13.498 16.355 5.540 1.00 1.69 O ATOM 0 H ASP A 79 9.881 13.782 4.900 1.00 0.46 H new ATOM 0 HA ASP A 79 12.426 12.883 3.621 1.00 0.47 H new ATOM 0 HB2 ASP A 79 11.931 15.233 3.428 1.00 0.54 H new ATOM 0 HB3 ASP A 79 11.319 15.315 5.068 1.00 0.54 H new ATOM 1192 N ILE A 80 13.439 11.935 5.745 1.00 0.52 N ATOM 1193 CA ILE A 80 13.782 11.005 6.819 1.00 0.53 C ATOM 1194 C ILE A 80 15.019 11.474 7.578 1.00 0.66 C ATOM 1195 O ILE A 80 16.078 11.641 6.977 1.00 0.80 O ATOM 1196 CB ILE A 80 14.046 9.617 6.224 1.00 0.52 C ATOM 1197 CG1 ILE A 80 13.010 9.307 5.137 1.00 0.39 C ATOM 1198 CG2 ILE A 80 14.039 8.550 7.330 1.00 0.62 C ATOM 1199 CD1 ILE A 80 13.302 7.962 4.512 1.00 0.55 C ATOM 0 H ILE A 80 14.152 12.004 5.019 1.00 0.52 H new ATOM 0 HA ILE A 80 12.946 10.962 7.517 1.00 0.53 H new ATOM 0 HB ILE A 80 15.033 9.607 5.762 1.00 0.52 H new ATOM 0 HG12 ILE A 80 12.008 9.307 5.567 1.00 0.39 H new ATOM 0 HG13 ILE A 80 13.029 10.084 4.373 1.00 0.39 H new ATOM 0 HG21 ILE A 80 14.228 7.570 6.891 1.00 0.62 H new ATOM 0 HG22 ILE A 80 14.816 8.777 8.059 1.00 0.62 H new ATOM 0 HG23 ILE A 80 13.068 8.545 7.825 1.00 0.62 H new ATOM 0 HD11 ILE A 80 12.561 7.750 3.741 1.00 0.55 H new ATOM 0 HD12 ILE A 80 14.296 7.976 4.065 1.00 0.55 H new ATOM 0 HD13 ILE A 80 13.260 7.188 5.278 1.00 0.55 H new ATOM 1211 N GLU A 81 14.914 11.598 8.906 1.00 0.68 N ATOM 1212 CA GLU A 81 16.044 11.977 9.747 1.00 0.83 C ATOM 1213 C GLU A 81 16.329 10.826 10.713 1.00 0.90 C ATOM 1214 O GLU A 81 15.618 10.645 11.701 1.00 1.27 O ATOM 1215 CB GLU A 81 15.766 13.307 10.463 1.00 0.95 C ATOM 1216 CG GLU A 81 15.202 14.369 9.503 1.00 1.42 C ATOM 1217 CD GLU A 81 14.902 15.691 10.202 1.00 1.51 C ATOM 1218 OE1 GLU A 81 14.379 15.629 11.336 1.00 1.80 O ATOM 1219 OE2 GLU A 81 15.131 16.751 9.586 1.00 2.41 O ATOM 0 H GLU A 81 14.048 11.439 9.421 1.00 0.68 H new ATOM 0 HA GLU A 81 16.935 12.147 9.143 1.00 0.83 H new ATOM 0 HB2 GLU A 81 15.059 13.141 11.276 1.00 0.95 H new ATOM 0 HB3 GLU A 81 16.688 13.677 10.912 1.00 0.95 H new ATOM 0 HG2 GLU A 81 15.916 14.542 8.698 1.00 1.42 H new ATOM 0 HG3 GLU A 81 14.289 13.990 9.043 1.00 1.42 H new ATOM 1226 N GLY A 82 17.347 10.016 10.416 1.00 1.02 N ATOM 1227 CA GLY A 82 17.751 8.922 11.285 1.00 1.17 C ATOM 1228 C GLY A 82 18.687 7.977 10.545 1.00 1.15 C ATOM 1229 O GLY A 82 19.800 7.718 10.995 1.00 1.53 O ATOM 0 H GLY A 82 17.909 10.104 9.569 1.00 1.02 H new ATOM 0 HA2 GLY A 82 18.248 9.317 12.171 1.00 1.17 H new ATOM 0 HA3 GLY A 82 16.871 8.378 11.629 1.00 1.17 H new ATOM 1233 N MET A 83 18.239 7.460 9.397 1.00 1.06 N ATOM 1234 CA MET A 83 19.086 6.674 8.530 1.00 1.07 C ATOM 1235 C MET A 83 20.337 7.473 8.150 1.00 1.05 C ATOM 1236 O MET A 83 20.242 8.606 7.689 1.00 1.65 O ATOM 1237 CB MET A 83 18.265 6.161 7.332 1.00 1.50 C ATOM 1238 CG MET A 83 17.951 7.215 6.267 1.00 1.24 C ATOM 1239 SD MET A 83 19.171 7.259 4.933 1.00 2.54 S ATOM 1240 CE MET A 83 18.493 8.590 3.936 1.00 2.72 C ATOM 0 H MET A 83 17.285 7.580 9.055 1.00 1.06 H new ATOM 0 HA MET A 83 19.453 5.787 9.046 1.00 1.07 H new ATOM 0 HB2 MET A 83 18.809 5.341 6.862 1.00 1.50 H new ATOM 0 HB3 MET A 83 17.326 5.750 7.703 1.00 1.50 H new ATOM 0 HG2 MET A 83 16.966 7.014 5.845 1.00 1.24 H new ATOM 0 HG3 MET A 83 17.901 8.196 6.739 1.00 1.24 H new ATOM 0 HE1 MET A 83 19.087 8.704 3.029 1.00 2.72 H new ATOM 0 HE2 MET A 83 17.463 8.355 3.668 1.00 2.72 H new ATOM 0 HE3 MET A 83 18.517 9.519 4.505 1.00 2.72 H new ATOM 1285 N ALA A 87 20.635 0.813 5.754 1.00 1.96 N ATOM 1286 CA ALA A 87 20.102 -0.179 6.669 1.00 1.15 C ATOM 1287 C ALA A 87 18.789 0.319 7.262 1.00 1.01 C ATOM 1288 O ALA A 87 17.755 -0.335 7.118 1.00 0.97 O ATOM 1289 CB ALA A 87 21.130 -0.489 7.763 1.00 1.54 C ATOM 0 HA ALA A 87 19.900 -1.104 6.129 1.00 1.15 H new ATOM 0 HB1 ALA A 87 20.722 -1.234 8.445 1.00 1.54 H new ATOM 0 HB2 ALA A 87 22.041 -0.875 7.307 1.00 1.54 H new ATOM 0 HB3 ALA A 87 21.359 0.422 8.316 1.00 1.54 H new ATOM 1295 N CYS A 88 18.808 1.488 7.911 1.00 0.99 N ATOM 1296 CA CYS A 88 17.623 2.020 8.559 1.00 0.86 C ATOM 1297 C CYS A 88 16.567 2.284 7.493 1.00 0.75 C ATOM 1298 O CYS A 88 15.415 1.899 7.662 1.00 0.64 O ATOM 1299 CB CYS A 88 17.989 3.303 9.298 1.00 0.92 C ATOM 1300 SG CYS A 88 19.161 2.968 10.633 1.00 1.12 S ATOM 0 H CYS A 88 19.636 2.078 7.997 1.00 0.99 H new ATOM 0 HA CYS A 88 17.225 1.310 9.284 1.00 0.86 H new ATOM 0 HB2 CYS A 88 18.423 4.019 8.599 1.00 0.92 H new ATOM 0 HB3 CYS A 88 17.088 3.762 9.706 1.00 0.92 H new ATOM 0 HG CYS A 88 18.570 3.130 11.780 1.00 1.12 H new ATOM 1306 N ALA A 89 16.984 2.885 6.370 1.00 0.81 N ATOM 1307 CA ALA A 89 16.128 3.144 5.221 1.00 0.72 C ATOM 1308 C ALA A 89 15.520 1.837 4.718 1.00 0.66 C ATOM 1309 O ALA A 89 14.320 1.749 4.489 1.00 0.59 O ATOM 1310 CB ALA A 89 16.935 3.830 4.112 1.00 0.88 C ATOM 0 H ALA A 89 17.943 3.207 6.240 1.00 0.81 H new ATOM 0 HA ALA A 89 15.317 3.808 5.519 1.00 0.72 H new ATOM 0 HB1 ALA A 89 16.288 4.020 3.256 1.00 0.88 H new ATOM 0 HB2 ALA A 89 17.333 4.774 4.483 1.00 0.88 H new ATOM 0 HB3 ALA A 89 17.758 3.183 3.808 1.00 0.88 H new ATOM 1316 N ASN A 90 16.341 0.797 4.571 1.00 0.77 N ATOM 1317 CA ASN A 90 15.856 -0.484 4.076 1.00 0.80 C ATOM 1318 C ASN A 90 14.784 -1.029 5.021 1.00 0.75 C ATOM 1319 O ASN A 90 13.714 -1.456 4.589 1.00 0.74 O ATOM 1320 CB ASN A 90 17.015 -1.476 3.895 1.00 1.00 C ATOM 1321 CG ASN A 90 18.029 -1.006 2.853 1.00 0.98 C ATOM 1322 OD1 ASN A 90 17.693 -0.289 1.919 1.00 1.73 O ATOM 1323 ND2 ASN A 90 19.295 -1.378 3.011 1.00 1.38 N ATOM 0 H ASN A 90 17.338 0.819 4.787 1.00 0.77 H new ATOM 0 HA ASN A 90 15.404 -0.341 3.094 1.00 0.80 H new ATOM 0 HB2 ASN A 90 17.520 -1.618 4.850 1.00 1.00 H new ATOM 0 HB3 ASN A 90 16.616 -2.446 3.598 1.00 1.00 H new ATOM 0 HD21 ASN A 90 20.005 -1.066 2.348 1.00 1.38 H new ATOM 0 HD22 ASN A 90 19.557 -1.976 3.795 1.00 1.38 H new ATOM 1330 N ARG A 91 15.044 -0.989 6.329 1.00 0.78 N ATOM 1331 CA ARG A 91 14.080 -1.424 7.324 1.00 0.77 C ATOM 1332 C ARG A 91 12.788 -0.607 7.223 1.00 0.62 C ATOM 1333 O ARG A 91 11.693 -1.170 7.197 1.00 0.63 O ATOM 1334 CB ARG A 91 14.704 -1.345 8.727 1.00 0.88 C ATOM 1335 CG ARG A 91 14.511 -2.693 9.426 1.00 1.54 C ATOM 1336 CD ARG A 91 14.998 -2.685 10.881 1.00 1.75 C ATOM 1337 NE ARG A 91 16.467 -2.598 10.983 1.00 1.99 N ATOM 1338 CZ ARG A 91 17.319 -3.632 10.870 1.00 2.66 C ATOM 1339 NH1 ARG A 91 16.862 -4.839 10.520 1.00 3.33 N ATOM 1340 NH2 ARG A 91 18.623 -3.457 11.110 1.00 3.89 N ATOM 0 H ARG A 91 15.925 -0.655 6.720 1.00 0.78 H new ATOM 0 HA ARG A 91 13.814 -2.464 7.134 1.00 0.77 H new ATOM 0 HB2 ARG A 91 15.765 -1.105 8.656 1.00 0.88 H new ATOM 0 HB3 ARG A 91 14.235 -0.549 9.305 1.00 0.88 H new ATOM 0 HG2 ARG A 91 13.455 -2.961 9.403 1.00 1.54 H new ATOM 0 HG3 ARG A 91 15.047 -3.464 8.873 1.00 1.54 H new ATOM 0 HD2 ARG A 91 14.550 -1.842 11.406 1.00 1.75 H new ATOM 0 HD3 ARG A 91 14.655 -3.591 11.381 1.00 1.75 H new ATOM 0 HE ARG A 91 16.870 -1.677 11.153 1.00 1.99 H new ATOM 0 HH11 ARG A 91 15.867 -4.975 10.339 1.00 3.33 H new ATOM 0 HH12 ARG A 91 17.508 -5.624 10.434 1.00 3.33 H new ATOM 0 HH21 ARG A 91 18.973 -2.538 11.379 1.00 3.89 H new ATOM 0 HH22 ARG A 91 19.267 -4.243 11.024 1.00 3.89 H new ATOM 1354 N ILE A 92 12.919 0.721 7.166 1.00 0.55 N ATOM 1355 CA ILE A 92 11.787 1.623 7.033 1.00 0.46 C ATOM 1356 C ILE A 92 10.983 1.257 5.780 1.00 0.45 C ATOM 1357 O ILE A 92 9.762 1.154 5.851 1.00 0.47 O ATOM 1358 CB ILE A 92 12.250 3.100 7.116 1.00 0.66 C ATOM 1359 CG1 ILE A 92 11.494 3.832 8.235 1.00 1.92 C ATOM 1360 CG2 ILE A 92 12.156 3.884 5.802 1.00 2.76 C ATOM 1361 CD1 ILE A 92 11.962 5.281 8.387 1.00 2.32 C ATOM 0 H ILE A 92 13.820 1.196 7.212 1.00 0.55 H new ATOM 0 HA ILE A 92 11.098 1.507 7.870 1.00 0.46 H new ATOM 0 HB ILE A 92 13.315 3.056 7.344 1.00 0.66 H new ATOM 0 HG12 ILE A 92 10.425 3.816 8.021 1.00 1.92 H new ATOM 0 HG13 ILE A 92 11.639 3.303 9.177 1.00 1.92 H new ATOM 0 HG21 ILE A 92 12.502 4.905 5.962 1.00 2.76 H new ATOM 0 HG22 ILE A 92 12.779 3.404 5.047 1.00 2.76 H new ATOM 0 HG23 ILE A 92 11.121 3.901 5.462 1.00 2.76 H new ATOM 0 HD11 ILE A 92 11.402 5.762 9.189 1.00 2.32 H new ATOM 0 HD12 ILE A 92 13.025 5.297 8.627 1.00 2.32 H new ATOM 0 HD13 ILE A 92 11.793 5.818 7.454 1.00 2.32 H new ATOM 1373 N GLU A 93 11.655 0.982 4.657 1.00 0.49 N ATOM 1374 CA GLU A 93 11.014 0.611 3.415 1.00 0.55 C ATOM 1375 C GLU A 93 10.184 -0.633 3.679 1.00 0.56 C ATOM 1376 O GLU A 93 8.971 -0.612 3.515 1.00 0.60 O ATOM 1377 CB GLU A 93 12.058 0.335 2.323 1.00 0.69 C ATOM 1378 CG GLU A 93 11.350 0.133 0.978 1.00 0.85 C ATOM 1379 CD GLU A 93 12.017 -0.943 0.137 1.00 1.15 C ATOM 1380 OE1 GLU A 93 13.236 -0.799 -0.101 1.00 1.96 O ATOM 1381 OE2 GLU A 93 11.302 -1.908 -0.212 1.00 2.36 O ATOM 0 H GLU A 93 12.673 1.015 4.596 1.00 0.49 H new ATOM 0 HA GLU A 93 10.381 1.425 3.062 1.00 0.55 H new ATOM 0 HB2 GLU A 93 12.758 1.167 2.256 1.00 0.69 H new ATOM 0 HB3 GLU A 93 12.640 -0.551 2.577 1.00 0.69 H new ATOM 0 HG2 GLU A 93 10.309 -0.138 1.154 1.00 0.85 H new ATOM 0 HG3 GLU A 93 11.346 1.073 0.426 1.00 0.85 H new ATOM 1388 N LYS A 94 10.840 -1.703 4.136 1.00 0.56 N ATOM 1389 CA LYS A 94 10.198 -2.988 4.371 1.00 0.58 C ATOM 1390 C LYS A 94 8.992 -2.844 5.306 1.00 0.55 C ATOM 1391 O LYS A 94 8.061 -3.646 5.229 1.00 0.63 O ATOM 1392 CB LYS A 94 11.224 -3.994 4.920 1.00 0.59 C ATOM 1393 CG LYS A 94 12.379 -4.262 3.939 1.00 0.77 C ATOM 1394 CD LYS A 94 12.033 -5.248 2.811 1.00 1.57 C ATOM 1395 CE LYS A 94 12.579 -6.654 3.105 1.00 2.49 C ATOM 1396 NZ LYS A 94 12.408 -7.567 1.955 1.00 3.69 N ATOM 0 H LYS A 94 11.837 -1.697 4.353 1.00 0.56 H new ATOM 0 HA LYS A 94 9.820 -3.368 3.422 1.00 0.58 H new ATOM 0 HB2 LYS A 94 11.630 -3.616 5.858 1.00 0.59 H new ATOM 0 HB3 LYS A 94 10.720 -4.934 5.146 1.00 0.59 H new ATOM 0 HG2 LYS A 94 12.691 -3.316 3.496 1.00 0.77 H new ATOM 0 HG3 LYS A 94 13.232 -4.650 4.496 1.00 0.77 H new ATOM 0 HD2 LYS A 94 10.951 -5.295 2.687 1.00 1.57 H new ATOM 0 HD3 LYS A 94 12.446 -4.885 1.870 1.00 1.57 H new ATOM 0 HE2 LYS A 94 13.637 -6.586 3.360 1.00 2.49 H new ATOM 0 HE3 LYS A 94 12.068 -7.067 3.975 1.00 2.49 H new ATOM 0 HZ1 LYS A 94 12.790 -8.504 2.196 1.00 3.69 H new ATOM 0 HZ2 LYS A 94 11.397 -7.653 1.727 1.00 3.69 H new ATOM 0 HZ3 LYS A 94 12.917 -7.187 1.132 1.00 3.69 H new ATOM 1410 N ARG A 95 8.999 -1.846 6.196 1.00 0.47 N ATOM 1411 CA ARG A 95 7.800 -1.504 6.954 1.00 0.44 C ATOM 1412 C ARG A 95 6.764 -0.814 6.063 1.00 0.40 C ATOM 1413 O ARG A 95 5.725 -1.404 5.752 1.00 0.44 O ATOM 1414 CB ARG A 95 8.162 -0.650 8.173 1.00 0.45 C ATOM 1415 CG ARG A 95 9.000 -1.461 9.161 1.00 0.75 C ATOM 1416 CD ARG A 95 8.103 -2.258 10.118 1.00 0.94 C ATOM 1417 NE ARG A 95 8.868 -3.280 10.850 1.00 1.44 N ATOM 1418 CZ ARG A 95 9.178 -4.491 10.359 1.00 2.16 C ATOM 1419 NH1 ARG A 95 8.884 -4.787 9.088 1.00 3.29 N ATOM 1420 NH2 ARG A 95 9.780 -5.396 11.139 1.00 2.91 N ATOM 0 H ARG A 95 9.814 -1.269 6.405 1.00 0.47 H new ATOM 0 HA ARG A 95 7.346 -2.426 7.318 1.00 0.44 H new ATOM 0 HB2 ARG A 95 8.716 0.233 7.855 1.00 0.45 H new ATOM 0 HB3 ARG A 95 7.253 -0.297 8.661 1.00 0.45 H new ATOM 0 HG2 ARG A 95 9.653 -2.143 8.616 1.00 0.75 H new ATOM 0 HG3 ARG A 95 9.644 -0.792 9.732 1.00 0.75 H new ATOM 0 HD2 ARG A 95 7.631 -1.578 10.827 1.00 0.94 H new ATOM 0 HD3 ARG A 95 7.302 -2.736 9.554 1.00 0.94 H new ATOM 0 HE ARG A 95 9.184 -3.054 11.793 1.00 1.44 H new ATOM 0 HH11 ARG A 95 8.426 -4.094 8.496 1.00 3.29 H new ATOM 0 HH12 ARG A 95 9.118 -5.706 8.711 1.00 3.29 H new ATOM 0 HH21 ARG A 95 10.004 -5.166 12.107 1.00 2.91 H new ATOM 0 HH22 ARG A 95 10.015 -6.316 10.765 1.00 2.91 H new ATOM 1434 N LEU A 96 7.051 0.433 5.675 1.00 0.34 N ATOM 1435 CA LEU A 96 6.144 1.312 4.945 1.00 0.36 C ATOM 1436 C LEU A 96 5.475 0.580 3.781 1.00 0.44 C ATOM 1437 O LEU A 96 4.267 0.716 3.602 1.00 0.49 O ATOM 1438 CB LEU A 96 6.873 2.587 4.505 1.00 0.38 C ATOM 1439 CG LEU A 96 6.945 3.635 5.638 1.00 0.49 C ATOM 1440 CD1 LEU A 96 8.361 4.169 5.818 1.00 0.90 C ATOM 1441 CD2 LEU A 96 6.021 4.812 5.319 1.00 1.55 C ATOM 0 H LEU A 96 7.953 0.869 5.869 1.00 0.34 H new ATOM 0 HA LEU A 96 5.339 1.617 5.614 1.00 0.36 H new ATOM 0 HB2 LEU A 96 7.883 2.334 4.181 1.00 0.38 H new ATOM 0 HB3 LEU A 96 6.361 3.018 3.645 1.00 0.38 H new ATOM 0 HG LEU A 96 6.634 3.142 6.559 1.00 0.49 H new ATOM 0 HD11 LEU A 96 8.373 4.904 6.623 1.00 0.90 H new ATOM 0 HD12 LEU A 96 9.031 3.346 6.067 1.00 0.90 H new ATOM 0 HD13 LEU A 96 8.693 4.640 4.892 1.00 0.90 H new ATOM 0 HD21 LEU A 96 6.077 5.547 6.122 1.00 1.55 H new ATOM 0 HD22 LEU A 96 6.331 5.274 4.382 1.00 1.55 H new ATOM 0 HD23 LEU A 96 4.996 4.455 5.225 1.00 1.55 H new ATOM 1453 N ASN A 97 6.250 -0.253 3.070 1.00 0.49 N ATOM 1454 CA ASN A 97 5.850 -1.183 2.012 1.00 0.60 C ATOM 1455 C ASN A 97 4.426 -1.710 2.177 1.00 0.64 C ATOM 1456 O ASN A 97 3.702 -1.856 1.196 1.00 0.71 O ATOM 1457 CB ASN A 97 6.815 -2.378 1.998 1.00 0.73 C ATOM 1458 CG ASN A 97 6.702 -3.199 0.720 1.00 1.14 C ATOM 1459 OD1 ASN A 97 5.826 -4.056 0.590 1.00 1.70 O ATOM 1460 ND2 ASN A 97 7.625 -2.959 -0.212 1.00 1.29 N ATOM 0 H ASN A 97 7.255 -0.294 3.237 1.00 0.49 H new ATOM 0 HA ASN A 97 5.885 -0.627 1.075 1.00 0.60 H new ATOM 0 HB2 ASN A 97 7.838 -2.017 2.106 1.00 0.73 H new ATOM 0 HB3 ASN A 97 6.610 -3.017 2.857 1.00 0.73 H new ATOM 0 HD21 ASN A 97 7.626 -3.496 -1.079 1.00 1.29 H new ATOM 0 HD22 ASN A 97 8.330 -2.238 -0.058 1.00 1.29 H new ATOM 1467 N LYS A 98 4.040 -2.034 3.415 1.00 0.65 N ATOM 1468 CA LYS A 98 2.672 -2.405 3.735 1.00 0.71 C ATOM 1469 C LYS A 98 2.324 -2.035 5.176 1.00 0.85 C ATOM 1470 O LYS A 98 1.947 -2.898 5.968 1.00 1.20 O ATOM 1471 CB LYS A 98 2.430 -3.884 3.417 1.00 0.91 C ATOM 1472 CG LYS A 98 3.636 -4.765 3.788 1.00 0.96 C ATOM 1473 CD LYS A 98 3.197 -6.197 4.123 1.00 2.24 C ATOM 1474 CE LYS A 98 2.997 -6.398 5.631 1.00 3.61 C ATOM 1475 NZ LYS A 98 4.282 -6.602 6.332 1.00 4.49 N ATOM 0 H LYS A 98 4.671 -2.044 4.217 1.00 0.65 H new ATOM 0 HA LYS A 98 1.992 -1.832 3.104 1.00 0.71 H new ATOM 0 HB2 LYS A 98 1.549 -4.230 3.958 1.00 0.91 H new ATOM 0 HB3 LYS A 98 2.215 -3.995 2.354 1.00 0.91 H new ATOM 0 HG2 LYS A 98 4.344 -4.784 2.960 1.00 0.96 H new ATOM 0 HG3 LYS A 98 4.156 -4.332 4.643 1.00 0.96 H new ATOM 0 HD2 LYS A 98 2.267 -6.423 3.601 1.00 2.24 H new ATOM 0 HD3 LYS A 98 3.946 -6.900 3.760 1.00 2.24 H new ATOM 0 HE2 LYS A 98 2.489 -5.529 6.049 1.00 3.61 H new ATOM 0 HE3 LYS A 98 2.350 -7.258 5.800 1.00 3.61 H new ATOM 0 HZ1 LYS A 98 4.106 -6.734 7.348 1.00 4.49 H new ATOM 0 HZ2 LYS A 98 4.756 -7.445 5.950 1.00 4.49 H new ATOM 0 HZ3 LYS A 98 4.890 -5.770 6.191 1.00 4.49 H new ATOM 1489 N ILE A 99 2.397 -0.744 5.503 1.00 0.76 N ATOM 1490 CA ILE A 99 1.676 -0.227 6.662 1.00 1.16 C ATOM 1491 C ILE A 99 0.185 -0.160 6.289 1.00 1.81 C ATOM 1492 O ILE A 99 -0.266 0.806 5.676 1.00 4.08 O ATOM 1493 CB ILE A 99 2.295 1.105 7.144 1.00 0.99 C ATOM 1494 CG1 ILE A 99 3.650 0.793 7.806 1.00 0.63 C ATOM 1495 CG2 ILE A 99 1.386 1.843 8.137 1.00 1.51 C ATOM 1496 CD1 ILE A 99 4.425 2.043 8.236 1.00 1.87 C ATOM 0 H ILE A 99 2.939 -0.049 4.990 1.00 0.76 H new ATOM 0 HA ILE A 99 1.765 -0.884 7.527 1.00 1.16 H new ATOM 0 HB ILE A 99 2.422 1.762 6.283 1.00 0.99 H new ATOM 0 HG12 ILE A 99 3.482 0.162 8.679 1.00 0.63 H new ATOM 0 HG13 ILE A 99 4.261 0.218 7.110 1.00 0.63 H new ATOM 0 HG21 ILE A 99 1.864 2.772 8.447 1.00 1.51 H new ATOM 0 HG22 ILE A 99 0.432 2.067 7.660 1.00 1.51 H new ATOM 0 HG23 ILE A 99 1.216 1.214 9.011 1.00 1.51 H new ATOM 0 HD11 ILE A 99 5.369 1.746 8.694 1.00 1.87 H new ATOM 0 HD12 ILE A 99 4.625 2.665 7.364 1.00 1.87 H new ATOM 0 HD13 ILE A 99 3.834 2.608 8.957 1.00 1.87 H new ATOM 1508 N GLU A 100 -0.564 -1.217 6.625 1.00 0.76 N ATOM 1509 CA GLU A 100 -2.025 -1.292 6.568 1.00 0.85 C ATOM 1510 C GLU A 100 -2.609 -1.171 5.152 1.00 0.93 C ATOM 1511 O GLU A 100 -3.075 -2.160 4.583 1.00 1.74 O ATOM 1512 CB GLU A 100 -2.642 -0.288 7.557 1.00 0.86 C ATOM 1513 CG GLU A 100 -2.512 -0.825 8.990 1.00 1.33 C ATOM 1514 CD GLU A 100 -2.884 0.202 10.053 1.00 2.66 C ATOM 1515 OE1 GLU A 100 -3.279 1.321 9.661 1.00 3.68 O ATOM 1516 OE2 GLU A 100 -2.771 -0.175 11.238 1.00 3.89 O ATOM 0 H GLU A 100 -0.145 -2.085 6.960 1.00 0.76 H new ATOM 0 HA GLU A 100 -2.304 -2.299 6.877 1.00 0.85 H new ATOM 0 HB2 GLU A 100 -2.139 0.676 7.473 1.00 0.86 H new ATOM 0 HB3 GLU A 100 -3.692 -0.122 7.314 1.00 0.86 H new ATOM 0 HG2 GLU A 100 -3.150 -1.701 9.102 1.00 1.33 H new ATOM 0 HG3 GLU A 100 -1.486 -1.155 9.156 1.00 1.33 H new ATOM 1523 N GLY A 101 -2.606 0.039 4.589 1.00 0.56 N ATOM 1524 CA GLY A 101 -3.253 0.353 3.321 1.00 0.59 C ATOM 1525 C GLY A 101 -2.301 1.099 2.393 1.00 0.55 C ATOM 1526 O GLY A 101 -2.698 2.058 1.729 1.00 0.69 O ATOM 0 H GLY A 101 -2.143 0.842 5.014 1.00 0.56 H new ATOM 0 HA2 GLY A 101 -3.588 -0.567 2.842 1.00 0.59 H new ATOM 0 HA3 GLY A 101 -4.140 0.959 3.502 1.00 0.59 H new ATOM 1530 N VAL A 102 -1.044 0.651 2.354 1.00 0.53 N ATOM 1531 CA VAL A 102 -0.015 1.174 1.470 1.00 0.49 C ATOM 1532 C VAL A 102 0.077 0.280 0.239 1.00 0.56 C ATOM 1533 O VAL A 102 0.195 -0.936 0.366 1.00 0.61 O ATOM 1534 CB VAL A 102 1.326 1.292 2.211 1.00 0.44 C ATOM 1535 CG1 VAL A 102 2.409 1.821 1.269 1.00 0.53 C ATOM 1536 CG2 VAL A 102 1.229 2.234 3.418 1.00 0.59 C ATOM 0 H VAL A 102 -0.711 -0.104 2.953 1.00 0.53 H new ATOM 0 HA VAL A 102 -0.276 2.181 1.143 1.00 0.49 H new ATOM 0 HB VAL A 102 1.584 0.293 2.563 1.00 0.44 H new ATOM 0 HG11 VAL A 102 3.353 1.899 1.808 1.00 0.53 H new ATOM 0 HG12 VAL A 102 2.526 1.137 0.429 1.00 0.53 H new ATOM 0 HG13 VAL A 102 2.120 2.804 0.898 1.00 0.53 H new ATOM 0 HG21 VAL A 102 2.198 2.290 3.915 1.00 0.59 H new ATOM 0 HG22 VAL A 102 0.936 3.228 3.081 1.00 0.59 H new ATOM 0 HG23 VAL A 102 0.484 1.854 4.117 1.00 0.59 H new ATOM 1546 N ALA A 103 0.033 0.894 -0.944 1.00 0.56 N ATOM 1547 CA ALA A 103 0.325 0.221 -2.193 1.00 0.58 C ATOM 1548 C ALA A 103 1.837 0.129 -2.370 1.00 0.56 C ATOM 1549 O ALA A 103 2.356 -0.942 -2.667 1.00 0.57 O ATOM 1550 CB ALA A 103 -0.288 0.986 -3.361 1.00 0.65 C ATOM 0 H ALA A 103 -0.209 1.879 -1.054 1.00 0.56 H new ATOM 0 HA ALA A 103 -0.104 -0.781 -2.171 1.00 0.58 H new ATOM 0 HB1 ALA A 103 -0.061 0.469 -4.294 1.00 0.65 H new ATOM 0 HB2 ALA A 103 -1.369 1.043 -3.232 1.00 0.65 H new ATOM 0 HB3 ALA A 103 0.127 1.993 -3.394 1.00 0.65 H new ATOM 1556 N ASN A 104 2.556 1.245 -2.207 1.00 0.57 N ATOM 1557 CA ASN A 104 4.001 1.272 -2.430 1.00 0.59 C ATOM 1558 C ASN A 104 4.670 2.230 -1.463 1.00 0.51 C ATOM 1559 O ASN A 104 4.018 3.096 -0.884 1.00 0.48 O ATOM 1560 CB ASN A 104 4.361 1.673 -3.870 1.00 0.68 C ATOM 1561 CG ASN A 104 3.773 0.722 -4.895 1.00 0.75 C ATOM 1562 OD1 ASN A 104 4.360 -0.316 -5.188 1.00 0.83 O ATOM 1563 ND2 ASN A 104 2.618 1.063 -5.447 1.00 0.86 N ATOM 0 H ASN A 104 2.159 2.140 -1.921 1.00 0.57 H new ATOM 0 HA ASN A 104 4.364 0.258 -2.260 1.00 0.59 H new ATOM 0 HB2 ASN A 104 4.000 2.683 -4.065 1.00 0.68 H new ATOM 0 HB3 ASN A 104 5.445 1.696 -3.978 1.00 0.68 H new ATOM 0 HD21 ASN A 104 2.186 0.454 -6.142 1.00 0.86 H new ATOM 0 HD22 ASN A 104 2.161 1.934 -5.177 1.00 0.86 H new ATOM 1570 N ALA A 105 5.989 2.090 -1.312 1.00 0.49 N ATOM 1571 CA ALA A 105 6.768 2.992 -0.476 1.00 0.45 C ATOM 1572 C ALA A 105 8.271 2.986 -0.791 1.00 0.47 C ATOM 1573 O ALA A 105 9.063 2.580 0.059 1.00 0.50 O ATOM 1574 CB ALA A 105 6.533 2.674 1.003 1.00 0.47 C ATOM 0 H ALA A 105 6.537 1.356 -1.761 1.00 0.49 H new ATOM 0 HA ALA A 105 6.417 3.999 -0.702 1.00 0.45 H new ATOM 0 HB1 ALA A 105 7.120 3.355 1.619 1.00 0.47 H new ATOM 0 HB2 ALA A 105 5.475 2.794 1.237 1.00 0.47 H new ATOM 0 HB3 ALA A 105 6.836 1.647 1.207 1.00 0.47 H new ATOM 1580 N PRO A 106 8.702 3.408 -1.990 1.00 0.48 N ATOM 1581 CA PRO A 106 10.112 3.409 -2.338 1.00 0.52 C ATOM 1582 C PRO A 106 10.872 4.500 -1.568 1.00 0.49 C ATOM 1583 O PRO A 106 10.419 5.646 -1.481 1.00 0.44 O ATOM 1584 CB PRO A 106 10.161 3.605 -3.855 1.00 0.56 C ATOM 1585 CG PRO A 106 8.869 4.360 -4.166 1.00 0.53 C ATOM 1586 CD PRO A 106 7.885 3.853 -3.105 1.00 0.48 C ATOM 0 HA PRO A 106 10.606 2.478 -2.060 1.00 0.52 H new ATOM 0 HB2 PRO A 106 11.040 4.175 -4.157 1.00 0.56 H new ATOM 0 HB3 PRO A 106 10.204 2.651 -4.381 1.00 0.56 H new ATOM 0 HG2 PRO A 106 9.010 5.439 -4.098 1.00 0.53 H new ATOM 0 HG3 PRO A 106 8.514 4.148 -5.175 1.00 0.53 H new ATOM 0 HD2 PRO A 106 7.200 4.643 -2.797 1.00 0.48 H new ATOM 0 HD3 PRO A 106 7.276 3.037 -3.494 1.00 0.48 H new ATOM 1594 N VAL A 107 12.033 4.127 -1.019 1.00 0.57 N ATOM 1595 CA VAL A 107 12.962 5.013 -0.329 1.00 0.54 C ATOM 1596 C VAL A 107 14.015 5.535 -1.307 1.00 0.59 C ATOM 1597 O VAL A 107 14.365 4.851 -2.268 1.00 0.70 O ATOM 1598 CB VAL A 107 13.615 4.291 0.867 1.00 0.58 C ATOM 1599 CG1 VAL A 107 12.563 3.938 1.923 1.00 1.56 C ATOM 1600 CG2 VAL A 107 14.383 3.020 0.474 1.00 1.79 C ATOM 0 H VAL A 107 12.359 3.161 -1.047 1.00 0.57 H new ATOM 0 HA VAL A 107 12.410 5.867 0.063 1.00 0.54 H new ATOM 0 HB VAL A 107 14.342 4.993 1.274 1.00 0.58 H new ATOM 0 HG11 VAL A 107 13.043 3.429 2.759 1.00 1.56 H new ATOM 0 HG12 VAL A 107 12.085 4.850 2.280 1.00 1.56 H new ATOM 0 HG13 VAL A 107 11.811 3.283 1.483 1.00 1.56 H new ATOM 0 HG21 VAL A 107 14.815 2.566 1.366 1.00 1.79 H new ATOM 0 HG22 VAL A 107 13.700 2.314 0.001 1.00 1.79 H new ATOM 0 HG23 VAL A 107 15.179 3.277 -0.224 1.00 1.79 H new ATOM 1610 N ASN A 108 14.538 6.736 -1.050 1.00 0.60 N ATOM 1611 CA ASN A 108 15.636 7.340 -1.782 1.00 0.68 C ATOM 1612 C ASN A 108 16.805 7.540 -0.827 1.00 0.72 C ATOM 1613 O ASN A 108 16.617 7.691 0.379 1.00 1.73 O ATOM 1614 CB ASN A 108 15.200 8.690 -2.353 1.00 0.76 C ATOM 1615 CG ASN A 108 14.152 8.524 -3.450 1.00 1.03 C ATOM 1616 OD1 ASN A 108 12.954 8.560 -3.195 1.00 1.28 O ATOM 1617 ND2 ASN A 108 14.593 8.327 -4.691 1.00 1.72 N ATOM 0 H ASN A 108 14.190 7.330 -0.297 1.00 0.60 H new ATOM 0 HA ASN A 108 15.934 6.691 -2.605 1.00 0.68 H new ATOM 0 HB2 ASN A 108 14.795 9.310 -1.553 1.00 0.76 H new ATOM 0 HB3 ASN A 108 16.068 9.213 -2.754 1.00 0.76 H new ATOM 0 HD21 ASN A 108 13.928 8.202 -5.455 1.00 1.72 H new ATOM 0 HD22 ASN A 108 15.595 8.301 -4.878 1.00 1.72 H new ATOM 1624 N PHE A 109 18.017 7.557 -1.383 1.00 0.84 N ATOM 1625 CA PHE A 109 19.267 7.682 -0.637 1.00 0.83 C ATOM 1626 C PHE A 109 20.105 8.849 -1.171 1.00 1.03 C ATOM 1627 O PHE A 109 21.330 8.855 -1.082 1.00 1.77 O ATOM 1628 CB PHE A 109 20.012 6.355 -0.773 1.00 0.78 C ATOM 1629 CG PHE A 109 20.670 5.907 0.511 1.00 0.97 C ATOM 1630 CD1 PHE A 109 21.972 6.337 0.827 1.00 2.38 C ATOM 1631 CD2 PHE A 109 19.890 5.260 1.484 1.00 1.59 C ATOM 1632 CE1 PHE A 109 22.472 6.159 2.127 1.00 2.82 C ATOM 1633 CE2 PHE A 109 20.396 5.072 2.778 1.00 1.69 C ATOM 1634 CZ PHE A 109 21.677 5.546 3.109 1.00 1.91 C ATOM 0 H PHE A 109 18.159 7.482 -2.390 1.00 0.84 H new ATOM 0 HA PHE A 109 19.069 7.895 0.413 1.00 0.83 H new ATOM 0 HB2 PHE A 109 19.314 5.586 -1.103 1.00 0.78 H new ATOM 0 HB3 PHE A 109 20.772 6.450 -1.549 1.00 0.78 H new ATOM 0 HD1 PHE A 109 22.586 6.803 0.071 1.00 2.38 H new ATOM 0 HD2 PHE A 109 18.900 4.907 1.235 1.00 1.59 H new ATOM 0 HE1 PHE A 109 23.469 6.494 2.372 1.00 2.82 H new ATOM 0 HE2 PHE A 109 19.801 4.562 3.521 1.00 1.69 H new ATOM 0 HZ PHE A 109 22.049 5.439 4.117 1.00 1.91 H new ATOM 1644 N ALA A 110 19.411 9.799 -1.792 1.00 0.73 N ATOM 1645 CA ALA A 110 19.972 10.947 -2.501 1.00 0.99 C ATOM 1646 C ALA A 110 19.316 12.252 -2.049 1.00 1.12 C ATOM 1647 O ALA A 110 19.973 13.286 -1.997 1.00 1.46 O ATOM 1648 CB ALA A 110 19.777 10.754 -4.007 1.00 1.13 C ATOM 0 H ALA A 110 18.391 9.789 -1.816 1.00 0.73 H new ATOM 0 HA ALA A 110 21.036 11.013 -2.271 1.00 0.99 H new ATOM 0 HB1 ALA A 110 20.194 11.608 -4.540 1.00 1.13 H new ATOM 0 HB2 ALA A 110 20.285 9.844 -4.326 1.00 1.13 H new ATOM 0 HB3 ALA A 110 18.713 10.672 -4.229 1.00 1.13 H new ATOM 1654 N LEU A 111 18.005 12.194 -1.790 1.00 0.96 N ATOM 1655 CA LEU A 111 17.224 13.272 -1.202 1.00 1.02 C ATOM 1656 C LEU A 111 16.932 12.973 0.274 1.00 0.84 C ATOM 1657 O LEU A 111 16.311 13.792 0.944 1.00 0.86 O ATOM 1658 CB LEU A 111 15.888 13.418 -1.959 1.00 1.18 C ATOM 1659 CG LEU A 111 15.917 13.026 -3.447 1.00 1.22 C ATOM 1660 CD1 LEU A 111 14.518 13.195 -4.050 1.00 1.43 C ATOM 1661 CD2 LEU A 111 16.922 13.855 -4.262 1.00 1.32 C ATOM 0 H LEU A 111 17.446 11.365 -1.993 1.00 0.96 H new ATOM 0 HA LEU A 111 17.796 14.197 -1.276 1.00 1.02 H new ATOM 0 HB2 LEU A 111 15.138 12.807 -1.456 1.00 1.18 H new ATOM 0 HB3 LEU A 111 15.559 14.454 -1.882 1.00 1.18 H new ATOM 0 HG LEU A 111 16.236 11.985 -3.497 1.00 1.22 H new ATOM 0 HD11 LEU A 111 14.540 12.917 -5.104 1.00 1.43 H new ATOM 0 HD12 LEU A 111 13.814 12.554 -3.520 1.00 1.43 H new ATOM 0 HD13 LEU A 111 14.204 14.235 -3.955 1.00 1.43 H new ATOM 0 HD21 LEU A 111 16.898 13.534 -5.303 1.00 1.32 H new ATOM 0 HD22 LEU A 111 16.657 14.911 -4.201 1.00 1.32 H new ATOM 0 HD23 LEU A 111 17.925 13.709 -3.860 1.00 1.32 H new ATOM 1673 N GLU A 112 17.288 11.764 0.736 1.00 0.77 N ATOM 1674 CA GLU A 112 16.972 11.229 2.049 1.00 0.70 C ATOM 1675 C GLU A 112 15.467 11.227 2.320 1.00 0.56 C ATOM 1676 O GLU A 112 15.029 11.433 3.449 1.00 0.73 O ATOM 1677 CB GLU A 112 17.786 11.958 3.125 1.00 0.84 C ATOM 1678 CG GLU A 112 19.296 11.759 2.899 1.00 1.05 C ATOM 1679 CD GLU A 112 19.985 12.989 2.320 1.00 2.34 C ATOM 1680 OE1 GLU A 112 19.712 13.289 1.140 1.00 3.74 O ATOM 1681 OE2 GLU A 112 20.796 13.586 3.061 1.00 2.54 O ATOM 0 H GLU A 112 17.829 11.110 0.170 1.00 0.77 H new ATOM 0 HA GLU A 112 17.266 10.180 2.080 1.00 0.70 H new ATOM 0 HB2 GLU A 112 17.549 13.022 3.108 1.00 0.84 H new ATOM 0 HB3 GLU A 112 17.509 11.585 4.111 1.00 0.84 H new ATOM 0 HG2 GLU A 112 19.767 11.499 3.847 1.00 1.05 H new ATOM 0 HG3 GLU A 112 19.448 10.915 2.226 1.00 1.05 H new ATOM 1688 N THR A 113 14.677 10.941 1.281 1.00 0.50 N ATOM 1689 CA THR A 113 13.226 10.919 1.355 1.00 0.38 C ATOM 1690 C THR A 113 12.703 9.506 1.130 1.00 0.37 C ATOM 1691 O THR A 113 13.419 8.622 0.659 1.00 0.43 O ATOM 1692 CB THR A 113 12.608 11.919 0.363 1.00 0.52 C ATOM 1693 OG1 THR A 113 12.919 11.575 -0.970 1.00 0.64 O ATOM 1694 CG2 THR A 113 13.061 13.358 0.639 1.00 0.76 C ATOM 0 H THR A 113 15.040 10.716 0.355 1.00 0.50 H new ATOM 0 HA THR A 113 12.925 11.230 2.355 1.00 0.38 H new ATOM 0 HB THR A 113 11.528 11.867 0.504 1.00 0.52 H new ATOM 0 HG1 THR A 113 12.223 11.920 -1.568 1.00 0.64 H new ATOM 0 HG21 THR A 113 12.600 14.030 -0.085 1.00 0.76 H new ATOM 0 HG22 THR A 113 12.759 13.648 1.646 1.00 0.76 H new ATOM 0 HG23 THR A 113 14.146 13.421 0.553 1.00 0.76 H new ATOM 1702 N VAL A 114 11.438 9.305 1.483 1.00 0.36 N ATOM 1703 CA VAL A 114 10.642 8.149 1.134 1.00 0.37 C ATOM 1704 C VAL A 114 9.377 8.659 0.463 1.00 0.35 C ATOM 1705 O VAL A 114 8.721 9.564 0.983 1.00 0.33 O ATOM 1706 CB VAL A 114 10.360 7.278 2.374 1.00 0.36 C ATOM 1707 CG1 VAL A 114 9.741 8.049 3.548 1.00 0.34 C ATOM 1708 CG2 VAL A 114 9.478 6.072 2.037 1.00 0.40 C ATOM 0 H VAL A 114 10.921 9.980 2.047 1.00 0.36 H new ATOM 0 HA VAL A 114 11.174 7.497 0.442 1.00 0.37 H new ATOM 0 HB VAL A 114 11.343 6.932 2.694 1.00 0.36 H new ATOM 0 HG11 VAL A 114 9.572 7.368 4.382 1.00 0.34 H new ATOM 0 HG12 VAL A 114 10.419 8.843 3.860 1.00 0.34 H new ATOM 0 HG13 VAL A 114 8.791 8.484 3.237 1.00 0.34 H new ATOM 0 HG21 VAL A 114 9.304 5.485 2.939 1.00 0.40 H new ATOM 0 HG22 VAL A 114 8.524 6.419 1.640 1.00 0.40 H new ATOM 0 HG23 VAL A 114 9.978 5.453 1.292 1.00 0.40 H new ATOM 1718 N THR A 115 9.027 8.059 -0.673 1.00 0.41 N ATOM 1719 CA THR A 115 7.695 8.222 -1.218 1.00 0.43 C ATOM 1720 C THR A 115 6.833 7.217 -0.470 1.00 0.45 C ATOM 1721 O THR A 115 7.242 6.068 -0.337 1.00 0.63 O ATOM 1722 CB THR A 115 7.707 7.923 -2.718 1.00 0.56 C ATOM 1723 OG1 THR A 115 8.624 8.772 -3.376 1.00 0.60 O ATOM 1724 CG2 THR A 115 6.327 8.104 -3.356 1.00 0.68 C ATOM 0 H THR A 115 9.645 7.463 -1.224 1.00 0.41 H new ATOM 0 HA THR A 115 7.317 9.238 -1.100 1.00 0.43 H new ATOM 0 HB THR A 115 8.003 6.880 -2.830 1.00 0.56 H new ATOM 0 HG1 THR A 115 8.625 8.571 -4.335 1.00 0.60 H new ATOM 0 HG21 THR A 115 6.386 7.880 -4.421 1.00 0.68 H new ATOM 0 HG22 THR A 115 5.616 7.428 -2.882 1.00 0.68 H new ATOM 0 HG23 THR A 115 5.995 9.133 -3.219 1.00 0.68 H new ATOM 1732 N VAL A 116 5.667 7.629 0.019 1.00 0.41 N ATOM 1733 CA VAL A 116 4.640 6.744 0.538 1.00 0.40 C ATOM 1734 C VAL A 116 3.503 6.796 -0.482 1.00 0.38 C ATOM 1735 O VAL A 116 3.143 7.887 -0.916 1.00 0.53 O ATOM 1736 CB VAL A 116 4.224 7.206 1.947 1.00 0.48 C ATOM 1737 CG1 VAL A 116 3.440 8.523 1.940 1.00 0.67 C ATOM 1738 CG2 VAL A 116 3.425 6.112 2.662 1.00 0.58 C ATOM 0 H VAL A 116 5.408 8.614 0.064 1.00 0.41 H new ATOM 0 HA VAL A 116 4.975 5.714 0.658 1.00 0.40 H new ATOM 0 HB VAL A 116 5.147 7.393 2.495 1.00 0.48 H new ATOM 0 HG11 VAL A 116 3.176 8.795 2.962 1.00 0.67 H new ATOM 0 HG12 VAL A 116 4.054 9.310 1.503 1.00 0.67 H new ATOM 0 HG13 VAL A 116 2.531 8.402 1.350 1.00 0.67 H new ATOM 0 HG21 VAL A 116 3.141 6.459 3.655 1.00 0.58 H new ATOM 0 HG22 VAL A 116 2.527 5.883 2.088 1.00 0.58 H new ATOM 0 HG23 VAL A 116 4.037 5.215 2.752 1.00 0.58 H new ATOM 1748 N GLU A 117 2.972 5.650 -0.909 1.00 0.56 N ATOM 1749 CA GLU A 117 1.893 5.573 -1.883 1.00 0.54 C ATOM 1750 C GLU A 117 0.786 4.748 -1.231 1.00 0.55 C ATOM 1751 O GLU A 117 0.838 3.516 -1.267 1.00 0.56 O ATOM 1752 CB GLU A 117 2.442 4.961 -3.185 1.00 0.61 C ATOM 1753 CG GLU A 117 1.615 5.239 -4.450 1.00 1.06 C ATOM 1754 CD GLU A 117 0.554 4.187 -4.750 1.00 2.23 C ATOM 1755 OE1 GLU A 117 0.913 3.145 -5.352 1.00 2.77 O ATOM 1756 OE2 GLU A 117 -0.610 4.454 -4.391 1.00 3.53 O ATOM 0 H GLU A 117 3.287 4.737 -0.580 1.00 0.56 H new ATOM 0 HA GLU A 117 1.484 6.545 -2.158 1.00 0.54 H new ATOM 0 HB2 GLU A 117 3.453 5.336 -3.344 1.00 0.61 H new ATOM 0 HB3 GLU A 117 2.520 3.882 -3.053 1.00 0.61 H new ATOM 0 HG2 GLU A 117 1.129 6.209 -4.346 1.00 1.06 H new ATOM 0 HG3 GLU A 117 2.290 5.311 -5.303 1.00 1.06 H new ATOM 1763 N TYR A 118 -0.142 5.413 -0.532 1.00 0.57 N ATOM 1764 CA TYR A 118 -1.065 4.749 0.388 1.00 0.57 C ATOM 1765 C TYR A 118 -2.435 5.413 0.412 1.00 0.61 C ATOM 1766 O TYR A 118 -2.602 6.506 -0.121 1.00 0.68 O ATOM 1767 CB TYR A 118 -0.471 4.724 1.803 1.00 0.53 C ATOM 1768 CG TYR A 118 -0.635 6.002 2.602 1.00 0.50 C ATOM 1769 CD1 TYR A 118 0.079 7.159 2.245 1.00 1.75 C ATOM 1770 CD2 TYR A 118 -1.555 6.050 3.666 1.00 2.09 C ATOM 1771 CE1 TYR A 118 -0.080 8.343 2.986 1.00 1.75 C ATOM 1772 CE2 TYR A 118 -1.746 7.246 4.374 1.00 2.08 C ATOM 1773 CZ TYR A 118 -1.013 8.394 4.033 1.00 0.48 C ATOM 1774 OH TYR A 118 -1.255 9.571 4.674 1.00 0.54 O ATOM 0 H TYR A 118 -0.272 6.423 -0.590 1.00 0.57 H new ATOM 0 HA TYR A 118 -1.203 3.730 0.028 1.00 0.57 H new ATOM 0 HB2 TYR A 118 -0.933 3.907 2.358 1.00 0.53 H new ATOM 0 HB3 TYR A 118 0.592 4.497 1.728 1.00 0.53 H new ATOM 0 HD1 TYR A 118 0.751 7.138 1.400 1.00 1.75 H new ATOM 0 HD2 TYR A 118 -2.114 5.166 3.937 1.00 2.09 H new ATOM 0 HE1 TYR A 118 0.515 9.213 2.750 1.00 1.75 H new ATOM 0 HE2 TYR A 118 -2.459 7.284 5.184 1.00 2.08 H new ATOM 0 HH TYR A 118 -2.221 9.730 4.713 1.00 0.54 H new ATOM 1784 N ASN A 119 -3.411 4.733 1.019 1.00 0.58 N ATOM 1785 CA ASN A 119 -4.784 5.205 1.138 1.00 0.64 C ATOM 1786 C ASN A 119 -4.904 6.170 2.327 1.00 0.58 C ATOM 1787 O ASN A 119 -4.905 5.713 3.472 1.00 0.64 O ATOM 1788 CB ASN A 119 -5.720 4.001 1.300 1.00 0.82 C ATOM 1789 CG ASN A 119 -7.181 4.416 1.474 1.00 1.48 C ATOM 1790 OD1 ASN A 119 -7.518 5.593 1.537 1.00 1.96 O ATOM 1791 ND2 ASN A 119 -8.075 3.441 1.598 1.00 2.45 N ATOM 0 H ASN A 119 -3.261 3.820 1.449 1.00 0.58 H new ATOM 0 HA ASN A 119 -5.071 5.748 0.237 1.00 0.64 H new ATOM 0 HB2 ASN A 119 -5.630 3.355 0.427 1.00 0.82 H new ATOM 0 HB3 ASN A 119 -5.407 3.415 2.164 1.00 0.82 H new ATOM 0 HD21 ASN A 119 -9.058 3.667 1.748 1.00 2.45 H new ATOM 0 HD22 ASN A 119 -7.778 2.467 1.543 1.00 2.45 H new ATOM 1798 N PRO A 120 -5.067 7.483 2.089 1.00 0.54 N ATOM 1799 CA PRO A 120 -5.098 8.484 3.145 1.00 0.52 C ATOM 1800 C PRO A 120 -6.424 8.498 3.913 1.00 0.63 C ATOM 1801 O PRO A 120 -6.614 9.360 4.768 1.00 0.79 O ATOM 1802 CB PRO A 120 -4.873 9.813 2.418 1.00 0.51 C ATOM 1803 CG PRO A 120 -5.610 9.580 1.103 1.00 0.58 C ATOM 1804 CD PRO A 120 -5.265 8.125 0.794 1.00 0.58 C ATOM 0 HA PRO A 120 -4.342 8.279 3.903 1.00 0.52 H new ATOM 0 HB2 PRO A 120 -5.284 10.657 2.973 1.00 0.51 H new ATOM 0 HB3 PRO A 120 -3.814 10.019 2.262 1.00 0.51 H new ATOM 0 HG2 PRO A 120 -6.685 9.731 1.206 1.00 0.58 H new ATOM 0 HG3 PRO A 120 -5.267 10.255 0.319 1.00 0.58 H new ATOM 0 HD2 PRO A 120 -6.067 7.642 0.236 1.00 0.58 H new ATOM 0 HD3 PRO A 120 -4.366 8.057 0.182 1.00 0.58 H new ATOM 1812 N LYS A 121 -7.357 7.584 3.610 1.00 0.71 N ATOM 1813 CA LYS A 121 -8.593 7.440 4.361 1.00 0.84 C ATOM 1814 C LYS A 121 -8.387 6.344 5.402 1.00 0.82 C ATOM 1815 O LYS A 121 -8.829 6.482 6.539 1.00 0.91 O ATOM 1816 CB LYS A 121 -9.772 7.230 3.389 1.00 1.02 C ATOM 1817 CG LYS A 121 -10.395 5.829 3.324 1.00 2.29 C ATOM 1818 CD LYS A 121 -11.325 5.553 4.518 1.00 3.84 C ATOM 1819 CE LYS A 121 -12.131 4.248 4.386 1.00 5.89 C ATOM 1820 NZ LYS A 121 -13.527 4.472 3.959 1.00 6.76 N ATOM 0 H LYS A 121 -7.267 6.927 2.835 1.00 0.71 H new ATOM 0 HA LYS A 121 -8.857 8.341 4.915 1.00 0.84 H new ATOM 0 HB2 LYS A 121 -10.558 7.936 3.656 1.00 1.02 H new ATOM 0 HB3 LYS A 121 -9.433 7.495 2.387 1.00 1.02 H new ATOM 0 HG2 LYS A 121 -10.957 5.725 2.396 1.00 2.29 H new ATOM 0 HG3 LYS A 121 -9.602 5.081 3.302 1.00 2.29 H new ATOM 0 HD2 LYS A 121 -10.729 5.511 5.429 1.00 3.84 H new ATOM 0 HD3 LYS A 121 -12.017 6.388 4.628 1.00 3.84 H new ATOM 0 HE2 LYS A 121 -11.638 3.594 3.667 1.00 5.89 H new ATOM 0 HE3 LYS A 121 -12.129 3.728 5.344 1.00 5.89 H new ATOM 0 HZ1 LYS A 121 -14.103 3.642 4.207 1.00 6.76 H new ATOM 0 HZ2 LYS A 121 -13.906 5.313 4.439 1.00 6.76 H new ATOM 0 HZ3 LYS A 121 -13.556 4.619 2.930 1.00 6.76 H new ATOM 1834 N GLU A 122 -7.742 5.246 4.993 1.00 0.76 N ATOM 1835 CA GLU A 122 -7.495 4.105 5.859 1.00 0.75 C ATOM 1836 C GLU A 122 -6.542 4.540 6.974 1.00 0.75 C ATOM 1837 O GLU A 122 -6.826 4.353 8.153 1.00 0.87 O ATOM 1838 CB GLU A 122 -6.899 2.941 5.042 1.00 0.78 C ATOM 1839 CG GLU A 122 -7.717 1.642 5.074 1.00 0.84 C ATOM 1840 CD GLU A 122 -8.081 1.182 6.477 1.00 2.72 C ATOM 1841 OE1 GLU A 122 -7.176 0.643 7.145 1.00 4.26 O ATOM 1842 OE2 GLU A 122 -9.265 1.367 6.835 1.00 3.45 O ATOM 0 H GLU A 122 -7.378 5.131 4.047 1.00 0.76 H new ATOM 0 HA GLU A 122 -8.428 3.755 6.300 1.00 0.75 H new ATOM 0 HB2 GLU A 122 -6.793 3.261 4.005 1.00 0.78 H new ATOM 0 HB3 GLU A 122 -5.896 2.731 5.415 1.00 0.78 H new ATOM 0 HG2 GLU A 122 -8.632 1.785 4.500 1.00 0.84 H new ATOM 0 HG3 GLU A 122 -7.150 0.854 4.579 1.00 0.84 H new ATOM 1849 N ALA A 123 -5.415 5.141 6.577 1.00 0.67 N ATOM 1850 CA ALA A 123 -4.363 5.550 7.500 1.00 0.62 C ATOM 1851 C ALA A 123 -4.079 7.036 7.306 1.00 0.60 C ATOM 1852 O ALA A 123 -4.672 7.679 6.442 1.00 0.62 O ATOM 1853 CB ALA A 123 -3.120 4.684 7.273 1.00 0.59 C ATOM 0 H ALA A 123 -5.211 5.356 5.601 1.00 0.67 H new ATOM 0 HA ALA A 123 -4.677 5.404 8.533 1.00 0.62 H new ATOM 0 HB1 ALA A 123 -2.333 4.989 7.963 1.00 0.59 H new ATOM 0 HB2 ALA A 123 -3.369 3.637 7.447 1.00 0.59 H new ATOM 0 HB3 ALA A 123 -2.772 4.809 6.248 1.00 0.59 H new ATOM 1859 N SER A 124 -3.161 7.598 8.095 1.00 0.61 N ATOM 1860 CA SER A 124 -2.801 9.006 8.017 1.00 0.60 C ATOM 1861 C SER A 124 -1.369 9.196 8.507 1.00 0.56 C ATOM 1862 O SER A 124 -0.790 8.298 9.115 1.00 0.57 O ATOM 1863 CB SER A 124 -3.795 9.836 8.837 1.00 0.64 C ATOM 1864 OG SER A 124 -3.755 9.442 10.195 1.00 2.12 O ATOM 0 H SER A 124 -2.646 7.082 8.809 1.00 0.61 H new ATOM 0 HA SER A 124 -2.850 9.348 6.983 1.00 0.60 H new ATOM 0 HB2 SER A 124 -3.554 10.895 8.751 1.00 0.64 H new ATOM 0 HB3 SER A 124 -4.802 9.705 8.442 1.00 0.64 H new ATOM 0 HG SER A 124 -4.392 9.979 10.710 1.00 2.12 H new ATOM 1870 N VAL A 125 -0.793 10.375 8.267 1.00 0.54 N ATOM 1871 CA VAL A 125 0.553 10.699 8.667 1.00 0.48 C ATOM 1872 C VAL A 125 0.821 10.404 10.142 1.00 0.52 C ATOM 1873 O VAL A 125 1.899 9.927 10.475 1.00 0.50 O ATOM 1874 CB VAL A 125 0.848 12.148 8.287 1.00 0.53 C ATOM 1875 CG1 VAL A 125 0.859 12.326 6.763 1.00 1.89 C ATOM 1876 CG2 VAL A 125 -0.090 13.172 8.934 1.00 1.93 C ATOM 0 H VAL A 125 -1.267 11.136 7.780 1.00 0.54 H new ATOM 0 HA VAL A 125 1.244 10.049 8.130 1.00 0.48 H new ATOM 0 HB VAL A 125 1.841 12.353 8.687 1.00 0.53 H new ATOM 0 HG11 VAL A 125 1.071 13.367 6.520 1.00 1.89 H new ATOM 0 HG12 VAL A 125 1.628 11.688 6.328 1.00 1.89 H new ATOM 0 HG13 VAL A 125 -0.114 12.050 6.357 1.00 1.89 H new ATOM 0 HG21 VAL A 125 0.189 14.175 8.612 1.00 1.93 H new ATOM 0 HG22 VAL A 125 -1.117 12.966 8.633 1.00 1.93 H new ATOM 0 HG23 VAL A 125 -0.010 13.104 10.019 1.00 1.93 H new ATOM 1886 N SER A 126 -0.142 10.656 11.029 1.00 0.61 N ATOM 1887 CA SER A 126 -0.020 10.329 12.442 1.00 0.68 C ATOM 1888 C SER A 126 0.349 8.858 12.650 1.00 0.68 C ATOM 1889 O SER A 126 1.199 8.546 13.481 1.00 0.69 O ATOM 1890 CB SER A 126 -1.351 10.656 13.125 1.00 0.77 C ATOM 1891 OG SER A 126 -1.733 11.975 12.778 1.00 0.81 O ATOM 0 H SER A 126 -1.030 11.094 10.783 1.00 0.61 H new ATOM 0 HA SER A 126 0.784 10.919 12.881 1.00 0.68 H new ATOM 0 HB2 SER A 126 -2.118 9.947 12.814 1.00 0.77 H new ATOM 0 HB3 SER A 126 -1.252 10.564 14.207 1.00 0.77 H new ATOM 0 HG SER A 126 -2.585 12.193 13.209 1.00 0.81 H new ATOM 1897 N ASP A 127 -0.268 7.962 11.877 1.00 0.68 N ATOM 1898 CA ASP A 127 0.017 6.538 11.998 1.00 0.76 C ATOM 1899 C ASP A 127 1.462 6.283 11.584 1.00 0.69 C ATOM 1900 O ASP A 127 2.229 5.625 12.277 1.00 0.72 O ATOM 1901 CB ASP A 127 -0.927 5.711 11.122 1.00 0.82 C ATOM 1902 CG ASP A 127 -0.456 4.266 11.146 1.00 1.11 C ATOM 1903 OD1 ASP A 127 -0.684 3.622 12.190 1.00 2.09 O ATOM 1904 OD2 ASP A 127 0.200 3.881 10.155 1.00 1.74 O ATOM 0 H ASP A 127 -0.962 8.198 11.168 1.00 0.68 H new ATOM 0 HA ASP A 127 -0.134 6.237 13.034 1.00 0.76 H new ATOM 0 HB2 ASP A 127 -1.950 5.783 11.492 1.00 0.82 H new ATOM 0 HB3 ASP A 127 -0.930 6.093 10.101 1.00 0.82 H new ATOM 1909 N LEU A 128 1.838 6.869 10.451 1.00 0.61 N ATOM 1910 CA LEU A 128 3.154 6.715 9.855 1.00 0.55 C ATOM 1911 C LEU A 128 4.224 7.204 10.835 1.00 0.50 C ATOM 1912 O LEU A 128 5.244 6.543 11.042 1.00 0.48 O ATOM 1913 CB LEU A 128 3.198 7.473 8.532 1.00 0.56 C ATOM 1914 CG LEU A 128 2.194 6.891 7.517 1.00 0.73 C ATOM 1915 CD1 LEU A 128 1.895 7.945 6.460 1.00 1.06 C ATOM 1916 CD2 LEU A 128 2.765 5.650 6.826 1.00 0.67 C ATOM 0 H LEU A 128 1.220 7.477 9.913 1.00 0.61 H new ATOM 0 HA LEU A 128 3.357 5.665 9.647 1.00 0.55 H new ATOM 0 HB2 LEU A 128 2.973 8.525 8.706 1.00 0.56 H new ATOM 0 HB3 LEU A 128 4.205 7.427 8.118 1.00 0.56 H new ATOM 0 HG LEU A 128 1.287 6.607 8.051 1.00 0.73 H new ATOM 0 HD11 LEU A 128 1.185 7.544 5.736 1.00 1.06 H new ATOM 0 HD12 LEU A 128 1.468 8.827 6.937 1.00 1.06 H new ATOM 0 HD13 LEU A 128 2.818 8.220 5.949 1.00 1.06 H new ATOM 0 HD21 LEU A 128 2.035 5.261 6.116 1.00 0.67 H new ATOM 0 HD22 LEU A 128 3.680 5.917 6.297 1.00 0.67 H new ATOM 0 HD23 LEU A 128 2.987 4.887 7.573 1.00 0.67 H new ATOM 1928 N LYS A 129 3.971 8.357 11.462 1.00 0.51 N ATOM 1929 CA LYS A 129 4.783 8.851 12.558 1.00 0.53 C ATOM 1930 C LYS A 129 4.872 7.783 13.646 1.00 0.54 C ATOM 1931 O LYS A 129 5.974 7.344 13.959 1.00 0.56 O ATOM 1932 CB LYS A 129 4.231 10.170 13.119 1.00 0.63 C ATOM 1933 CG LYS A 129 4.235 11.316 12.097 1.00 0.68 C ATOM 1934 CD LYS A 129 4.718 12.619 12.747 1.00 0.81 C ATOM 1935 CE LYS A 129 4.251 13.829 11.928 1.00 1.90 C ATOM 1936 NZ LYS A 129 4.721 15.102 12.511 1.00 3.43 N ATOM 0 H LYS A 129 3.193 8.969 11.217 1.00 0.51 H new ATOM 0 HA LYS A 129 5.785 9.062 12.183 1.00 0.53 H new ATOM 0 HB2 LYS A 129 3.211 10.009 13.469 1.00 0.63 H new ATOM 0 HB3 LYS A 129 4.823 10.464 13.986 1.00 0.63 H new ATOM 0 HG2 LYS A 129 4.883 11.060 11.258 1.00 0.68 H new ATOM 0 HG3 LYS A 129 3.232 11.455 11.694 1.00 0.68 H new ATOM 0 HD2 LYS A 129 4.333 12.690 13.764 1.00 0.81 H new ATOM 0 HD3 LYS A 129 5.806 12.617 12.817 1.00 0.81 H new ATOM 0 HE2 LYS A 129 4.619 13.740 10.906 1.00 1.90 H new ATOM 0 HE3 LYS A 129 3.162 13.834 11.875 1.00 1.90 H new ATOM 0 HZ1 LYS A 129 4.385 15.896 11.929 1.00 3.43 H new ATOM 0 HZ2 LYS A 129 4.349 15.200 13.477 1.00 3.43 H new ATOM 0 HZ3 LYS A 129 5.761 15.109 12.538 1.00 3.43 H new ATOM 1950 N GLU A 130 3.735 7.334 14.192 1.00 0.60 N ATOM 1951 CA GLU A 130 3.744 6.356 15.281 1.00 0.66 C ATOM 1952 C GLU A 130 4.536 5.093 14.913 1.00 0.66 C ATOM 1953 O GLU A 130 5.267 4.539 15.740 1.00 0.74 O ATOM 1954 CB GLU A 130 2.316 6.012 15.736 1.00 0.81 C ATOM 1955 CG GLU A 130 1.916 6.837 16.969 1.00 1.47 C ATOM 1956 CD GLU A 130 0.689 6.253 17.653 1.00 2.54 C ATOM 1957 OE1 GLU A 130 0.880 5.220 18.335 1.00 2.82 O ATOM 1958 OE2 GLU A 130 -0.396 6.851 17.494 1.00 3.89 O ATOM 0 H GLU A 130 2.804 7.631 13.898 1.00 0.60 H new ATOM 0 HA GLU A 130 4.257 6.819 16.124 1.00 0.66 H new ATOM 0 HB2 GLU A 130 1.616 6.204 14.923 1.00 0.81 H new ATOM 0 HB3 GLU A 130 2.251 4.949 15.969 1.00 0.81 H new ATOM 0 HG2 GLU A 130 2.747 6.868 17.673 1.00 1.47 H new ATOM 0 HG3 GLU A 130 1.713 7.865 16.670 1.00 1.47 H new ATOM 1965 N ALA A 131 4.403 4.641 13.667 1.00 0.64 N ATOM 1966 CA ALA A 131 5.139 3.505 13.154 1.00 0.65 C ATOM 1967 C ALA A 131 6.641 3.792 13.209 1.00 0.64 C ATOM 1968 O ALA A 131 7.393 3.047 13.834 1.00 0.74 O ATOM 1969 CB ALA A 131 4.669 3.176 11.734 1.00 0.66 C ATOM 0 H ALA A 131 3.773 5.063 12.985 1.00 0.64 H new ATOM 0 HA ALA A 131 4.947 2.630 13.774 1.00 0.65 H new ATOM 0 HB1 ALA A 131 5.228 2.320 11.355 1.00 0.66 H new ATOM 0 HB2 ALA A 131 3.606 2.938 11.749 1.00 0.66 H new ATOM 0 HB3 ALA A 131 4.839 4.036 11.086 1.00 0.66 H new ATOM 1975 N VAL A 132 7.099 4.872 12.571 1.00 0.55 N ATOM 1976 CA VAL A 132 8.522 5.161 12.489 1.00 0.53 C ATOM 1977 C VAL A 132 9.105 5.468 13.872 1.00 0.54 C ATOM 1978 O VAL A 132 10.259 5.130 14.145 1.00 0.56 O ATOM 1979 CB VAL A 132 8.791 6.249 11.441 1.00 0.51 C ATOM 1980 CG1 VAL A 132 10.247 6.721 11.526 1.00 1.48 C ATOM 1981 CG2 VAL A 132 8.525 5.657 10.049 1.00 1.29 C ATOM 0 H VAL A 132 6.502 5.556 12.106 1.00 0.55 H new ATOM 0 HA VAL A 132 9.050 4.272 12.144 1.00 0.53 H new ATOM 0 HB VAL A 132 8.138 7.103 11.623 1.00 0.51 H new ATOM 0 HG11 VAL A 132 10.424 7.493 10.777 1.00 1.48 H new ATOM 0 HG12 VAL A 132 10.440 7.128 12.519 1.00 1.48 H new ATOM 0 HG13 VAL A 132 10.914 5.878 11.343 1.00 1.48 H new ATOM 0 HG21 VAL A 132 8.711 6.416 9.289 1.00 1.29 H new ATOM 0 HG22 VAL A 132 9.187 4.807 9.882 1.00 1.29 H new ATOM 0 HG23 VAL A 132 7.488 5.327 9.986 1.00 1.29 H new ATOM 1991 N ASP A 133 8.297 6.041 14.764 1.00 0.58 N ATOM 1992 CA ASP A 133 8.655 6.177 16.159 1.00 0.65 C ATOM 1993 C ASP A 133 9.053 4.807 16.713 1.00 0.65 C ATOM 1994 O ASP A 133 10.088 4.665 17.359 1.00 0.72 O ATOM 1995 CB ASP A 133 7.498 6.795 16.960 1.00 0.75 C ATOM 1996 CG ASP A 133 7.713 8.276 17.247 1.00 1.42 C ATOM 1997 OD1 ASP A 133 7.682 9.066 16.278 1.00 1.81 O ATOM 1998 OD2 ASP A 133 7.899 8.592 18.441 1.00 2.61 O ATOM 0 H ASP A 133 7.379 6.421 14.531 1.00 0.58 H new ATOM 0 HA ASP A 133 9.506 6.852 16.252 1.00 0.65 H new ATOM 0 HB2 ASP A 133 6.568 6.667 16.406 1.00 0.75 H new ATOM 0 HB3 ASP A 133 7.385 6.258 17.902 1.00 0.75 H new ATOM 2003 N LYS A 134 8.252 3.777 16.415 1.00 0.63 N ATOM 2004 CA LYS A 134 8.552 2.402 16.795 1.00 0.67 C ATOM 2005 C LYS A 134 9.850 1.906 16.145 1.00 0.62 C ATOM 2006 O LYS A 134 10.616 1.188 16.785 1.00 0.75 O ATOM 2007 CB LYS A 134 7.364 1.476 16.464 1.00 0.72 C ATOM 2008 CG LYS A 134 6.934 0.609 17.659 1.00 1.12 C ATOM 2009 CD LYS A 134 5.769 1.234 18.447 1.00 1.63 C ATOM 2010 CE LYS A 134 6.100 2.614 19.040 1.00 2.96 C ATOM 2011 NZ LYS A 134 4.910 3.282 19.609 1.00 3.54 N ATOM 0 H LYS A 134 7.376 3.880 15.902 1.00 0.63 H new ATOM 0 HA LYS A 134 8.708 2.379 17.874 1.00 0.67 H new ATOM 0 HB2 LYS A 134 6.518 2.081 16.136 1.00 0.72 H new ATOM 0 HB3 LYS A 134 7.635 0.829 15.630 1.00 0.72 H new ATOM 0 HG2 LYS A 134 6.639 -0.378 17.301 1.00 1.12 H new ATOM 0 HG3 LYS A 134 7.785 0.466 18.325 1.00 1.12 H new ATOM 0 HD2 LYS A 134 4.905 1.328 17.789 1.00 1.63 H new ATOM 0 HD3 LYS A 134 5.484 0.559 19.254 1.00 1.63 H new ATOM 0 HE2 LYS A 134 6.856 2.501 19.817 1.00 2.96 H new ATOM 0 HE3 LYS A 134 6.532 3.246 18.264 1.00 2.96 H new ATOM 0 HZ1 LYS A 134 5.183 4.208 19.996 1.00 3.54 H new ATOM 0 HZ2 LYS A 134 4.197 3.415 18.864 1.00 3.54 H new ATOM 0 HZ3 LYS A 134 4.511 2.693 20.368 1.00 3.54 H new ATOM 2025 N LEU A 135 10.106 2.266 14.881 1.00 0.51 N ATOM 2026 CA LEU A 135 11.379 1.938 14.230 1.00 0.47 C ATOM 2027 C LEU A 135 12.553 2.631 14.925 1.00 0.51 C ATOM 2028 O LEU A 135 13.670 2.118 14.888 1.00 0.63 O ATOM 2029 CB LEU A 135 11.382 2.300 12.733 1.00 0.46 C ATOM 2030 CG LEU A 135 10.755 1.255 11.799 1.00 0.49 C ATOM 2031 CD1 LEU A 135 11.708 0.067 11.602 1.00 0.49 C ATOM 2032 CD2 LEU A 135 9.374 0.816 12.288 1.00 0.70 C ATOM 0 H LEU A 135 9.452 2.782 14.292 1.00 0.51 H new ATOM 0 HA LEU A 135 11.496 0.858 14.318 1.00 0.47 H new ATOM 0 HB2 LEU A 135 10.850 3.243 12.604 1.00 0.46 H new ATOM 0 HB3 LEU A 135 12.412 2.470 12.420 1.00 0.46 H new ATOM 0 HG LEU A 135 10.602 1.718 10.824 1.00 0.49 H new ATOM 0 HD11 LEU A 135 11.247 -0.663 10.937 1.00 0.49 H new ATOM 0 HD12 LEU A 135 12.642 0.418 11.163 1.00 0.49 H new ATOM 0 HD13 LEU A 135 11.913 -0.399 12.566 1.00 0.49 H new ATOM 0 HD21 LEU A 135 8.963 0.076 11.601 1.00 0.70 H new ATOM 0 HD22 LEU A 135 9.462 0.378 13.282 1.00 0.70 H new ATOM 0 HD23 LEU A 135 8.711 1.680 12.330 1.00 0.70 H new ATOM 2044 N GLY A 136 12.312 3.795 15.530 1.00 0.51 N ATOM 2045 CA GLY A 136 13.323 4.548 16.251 1.00 0.55 C ATOM 2046 C GLY A 136 14.076 5.486 15.315 1.00 0.60 C ATOM 2047 O GLY A 136 15.275 5.700 15.484 1.00 0.73 O ATOM 0 H GLY A 136 11.395 4.242 15.529 1.00 0.51 H new ATOM 0 HA2 GLY A 136 12.853 5.124 17.048 1.00 0.55 H new ATOM 0 HA3 GLY A 136 14.024 3.861 16.725 1.00 0.55 H new ATOM 2051 N TYR A 137 13.364 6.066 14.344 1.00 0.57 N ATOM 2052 CA TYR A 137 13.836 7.190 13.541 1.00 0.60 C ATOM 2053 C TYR A 137 12.751 8.264 13.632 1.00 0.62 C ATOM 2054 O TYR A 137 11.914 8.202 14.531 1.00 0.77 O ATOM 2055 CB TYR A 137 14.094 6.748 12.090 1.00 0.54 C ATOM 2056 CG TYR A 137 14.795 5.408 11.934 1.00 0.58 C ATOM 2057 CD1 TYR A 137 16.039 5.174 12.548 1.00 1.74 C ATOM 2058 CD2 TYR A 137 14.148 4.360 11.254 1.00 2.07 C ATOM 2059 CE1 TYR A 137 16.566 3.870 12.589 1.00 1.65 C ATOM 2060 CE2 TYR A 137 14.707 3.073 11.245 1.00 2.25 C ATOM 2061 CZ TYR A 137 15.866 2.810 11.990 1.00 0.90 C ATOM 2062 OH TYR A 137 16.319 1.528 12.093 1.00 1.14 O ATOM 0 H TYR A 137 12.425 5.758 14.092 1.00 0.57 H new ATOM 0 HA TYR A 137 14.786 7.580 13.907 1.00 0.60 H new ATOM 0 HB2 TYR A 137 13.139 6.703 11.566 1.00 0.54 H new ATOM 0 HB3 TYR A 137 14.693 7.513 11.596 1.00 0.54 H new ATOM 0 HD1 TYR A 137 16.588 5.994 12.987 1.00 1.74 H new ATOM 0 HD2 TYR A 137 13.218 4.547 10.737 1.00 2.07 H new ATOM 0 HE1 TYR A 137 17.509 3.684 13.081 1.00 1.65 H new ATOM 0 HE2 TYR A 137 14.246 2.287 10.666 1.00 2.25 H new ATOM 0 HH TYR A 137 17.231 1.474 11.738 1.00 1.14 H new ATOM 2072 N LYS A 138 12.703 9.209 12.691 1.00 0.63 N ATOM 2073 CA LYS A 138 11.562 10.101 12.567 1.00 0.70 C ATOM 2074 C LYS A 138 11.348 10.445 11.096 1.00 0.64 C ATOM 2075 O LYS A 138 12.303 10.459 10.315 1.00 0.74 O ATOM 2076 CB LYS A 138 11.770 11.352 13.432 1.00 0.82 C ATOM 2077 CG LYS A 138 12.853 12.267 12.844 1.00 0.90 C ATOM 2078 CD LYS A 138 12.270 13.442 12.048 1.00 2.68 C ATOM 2079 CE LYS A 138 12.149 14.699 12.915 1.00 3.05 C ATOM 2080 NZ LYS A 138 11.186 14.518 14.013 1.00 4.37 N ATOM 0 H LYS A 138 13.443 9.372 12.008 1.00 0.63 H new ATOM 0 HA LYS A 138 10.661 9.608 12.931 1.00 0.70 H new ATOM 0 HB2 LYS A 138 10.832 11.901 13.512 1.00 0.82 H new ATOM 0 HB3 LYS A 138 12.052 11.055 14.442 1.00 0.82 H new ATOM 0 HG2 LYS A 138 13.474 12.654 13.652 1.00 0.90 H new ATOM 0 HG3 LYS A 138 13.504 11.681 12.195 1.00 0.90 H new ATOM 0 HD2 LYS A 138 12.905 13.651 11.188 1.00 2.68 H new ATOM 0 HD3 LYS A 138 11.288 13.170 11.660 1.00 2.68 H new ATOM 0 HE2 LYS A 138 13.126 14.951 13.327 1.00 3.05 H new ATOM 0 HE3 LYS A 138 11.838 15.539 12.294 1.00 3.05 H new ATOM 0 HZ1 LYS A 138 11.108 15.402 14.556 1.00 4.37 H new ATOM 0 HZ2 LYS A 138 10.255 14.269 13.621 1.00 4.37 H new ATOM 0 HZ3 LYS A 138 11.513 13.755 14.639 1.00 4.37 H new ATOM 2094 N LEU A 139 10.099 10.762 10.748 1.00 0.55 N ATOM 2095 CA LEU A 139 9.750 11.318 9.454 1.00 0.53 C ATOM 2096 C LEU A 139 9.491 12.813 9.584 1.00 0.65 C ATOM 2097 O LEU A 139 9.014 13.293 10.617 1.00 0.81 O ATOM 2098 CB LEU A 139 8.505 10.639 8.882 1.00 0.75 C ATOM 2099 CG LEU A 139 8.727 9.168 8.519 1.00 0.47 C ATOM 2100 CD1 LEU A 139 7.394 8.607 8.027 1.00 1.36 C ATOM 2101 CD2 LEU A 139 9.776 8.986 7.415 1.00 1.14 C ATOM 0 H LEU A 139 9.299 10.636 11.368 1.00 0.55 H new ATOM 0 HA LEU A 139 10.586 11.144 8.776 1.00 0.53 H new ATOM 0 HB2 LEU A 139 7.696 10.708 9.609 1.00 0.75 H new ATOM 0 HB3 LEU A 139 8.181 11.180 7.993 1.00 0.75 H new ATOM 0 HG LEU A 139 9.094 8.646 9.403 1.00 0.47 H new ATOM 0 HD11 LEU A 139 7.517 7.558 7.759 1.00 1.36 H new ATOM 0 HD12 LEU A 139 6.648 8.695 8.817 1.00 1.36 H new ATOM 0 HD13 LEU A 139 7.064 9.168 7.153 1.00 1.36 H new ATOM 0 HD21 LEU A 139 9.894 7.925 7.197 1.00 1.14 H new ATOM 0 HD22 LEU A 139 9.451 9.508 6.515 1.00 1.14 H new ATOM 0 HD23 LEU A 139 10.729 9.396 7.748 1.00 1.14 H new ATOM 2113 N LYS A 140 9.789 13.529 8.507 1.00 0.66 N ATOM 2114 CA LYS A 140 9.382 14.896 8.252 1.00 0.69 C ATOM 2115 C LYS A 140 8.592 14.915 6.953 1.00 0.63 C ATOM 2116 O LYS A 140 8.586 13.939 6.212 1.00 0.60 O ATOM 2117 CB LYS A 140 10.601 15.812 8.128 1.00 0.72 C ATOM 2118 CG LYS A 140 11.310 15.956 9.474 1.00 0.95 C ATOM 2119 CD LYS A 140 12.082 17.278 9.551 1.00 1.73 C ATOM 2120 CE LYS A 140 11.156 18.506 9.560 1.00 1.76 C ATOM 2121 NZ LYS A 140 11.294 19.306 8.328 1.00 2.83 N ATOM 0 H LYS A 140 10.353 13.145 7.749 1.00 0.66 H new ATOM 0 HA LYS A 140 8.773 15.258 9.080 1.00 0.69 H new ATOM 0 HB2 LYS A 140 11.292 15.407 7.389 1.00 0.72 H new ATOM 0 HB3 LYS A 140 10.290 16.793 7.769 1.00 0.72 H new ATOM 0 HG2 LYS A 140 10.578 15.911 10.281 1.00 0.95 H new ATOM 0 HG3 LYS A 140 11.996 15.121 9.619 1.00 0.95 H new ATOM 0 HD2 LYS A 140 12.695 17.284 10.452 1.00 1.73 H new ATOM 0 HD3 LYS A 140 12.762 17.347 8.702 1.00 1.73 H new ATOM 0 HE2 LYS A 140 10.121 18.180 9.668 1.00 1.76 H new ATOM 0 HE3 LYS A 140 11.386 19.128 10.425 1.00 1.76 H new ATOM 0 HZ1 LYS A 140 10.477 19.942 8.234 1.00 2.83 H new ATOM 0 HZ2 LYS A 140 12.167 19.869 8.376 1.00 2.83 H new ATOM 0 HZ3 LYS A 140 11.336 18.672 7.505 1.00 2.83 H new ATOM 2135 N LEU A 141 7.918 16.030 6.685 1.00 0.66 N ATOM 2136 CA LEU A 141 7.068 16.189 5.527 1.00 0.64 C ATOM 2137 C LEU A 141 7.717 17.208 4.592 1.00 0.69 C ATOM 2138 O LEU A 141 8.178 18.254 5.056 1.00 0.84 O ATOM 2139 CB LEU A 141 5.672 16.641 5.973 1.00 0.75 C ATOM 2140 CG LEU A 141 5.013 15.755 7.058 1.00 1.01 C ATOM 2141 CD1 LEU A 141 5.447 16.132 8.485 1.00 1.43 C ATOM 2142 CD2 LEU A 141 3.488 15.904 6.998 1.00 1.62 C ATOM 0 H LEU A 141 7.953 16.857 7.281 1.00 0.66 H new ATOM 0 HA LEU A 141 6.954 15.245 4.995 1.00 0.64 H new ATOM 0 HB2 LEU A 141 5.740 17.661 6.351 1.00 0.75 H new ATOM 0 HB3 LEU A 141 5.019 16.667 5.101 1.00 0.75 H new ATOM 0 HG LEU A 141 5.333 14.734 6.849 1.00 1.01 H new ATOM 0 HD11 LEU A 141 4.952 15.476 9.201 1.00 1.43 H new ATOM 0 HD12 LEU A 141 6.527 16.021 8.578 1.00 1.43 H new ATOM 0 HD13 LEU A 141 5.170 17.166 8.688 1.00 1.43 H new ATOM 0 HD21 LEU A 141 3.031 15.278 7.764 1.00 1.62 H new ATOM 0 HD22 LEU A 141 3.217 16.945 7.171 1.00 1.62 H new ATOM 0 HD23 LEU A 141 3.131 15.595 6.016 1.00 1.62 H new ATOM 2154 N LYS A 142 7.735 16.940 3.281 1.00 0.66 N ATOM 2155 CA LYS A 142 8.256 17.911 2.329 1.00 0.80 C ATOM 2156 C LYS A 142 7.171 18.960 2.091 1.00 1.03 C ATOM 2157 O LYS A 142 6.395 18.867 1.142 1.00 1.18 O ATOM 2158 CB LYS A 142 8.652 17.242 1.005 1.00 0.79 C ATOM 2159 CG LYS A 142 9.957 16.434 1.091 1.00 0.86 C ATOM 2160 CD LYS A 142 10.632 16.366 -0.289 1.00 1.21 C ATOM 2161 CE LYS A 142 11.409 17.658 -0.603 1.00 2.12 C ATOM 2162 NZ LYS A 142 11.867 17.702 -2.007 1.00 2.97 N ATOM 0 H LYS A 142 7.399 16.071 2.866 1.00 0.66 H new ATOM 0 HA LYS A 142 9.156 18.373 2.734 1.00 0.80 H new ATOM 0 HB2 LYS A 142 7.846 16.582 0.686 1.00 0.79 H new ATOM 0 HB3 LYS A 142 8.759 18.009 0.238 1.00 0.79 H new ATOM 0 HG2 LYS A 142 10.632 16.896 1.812 1.00 0.86 H new ATOM 0 HG3 LYS A 142 9.747 15.427 1.451 1.00 0.86 H new ATOM 0 HD2 LYS A 142 11.312 15.515 -0.321 1.00 1.21 H new ATOM 0 HD3 LYS A 142 9.876 16.199 -1.057 1.00 1.21 H new ATOM 0 HE2 LYS A 142 10.774 18.521 -0.402 1.00 2.12 H new ATOM 0 HE3 LYS A 142 12.270 17.734 0.062 1.00 2.12 H new ATOM 0 HZ1 LYS A 142 12.385 18.588 -2.176 1.00 2.97 H new ATOM 0 HZ2 LYS A 142 12.494 16.893 -2.193 1.00 2.97 H new ATOM 0 HZ3 LYS A 142 11.045 17.656 -2.642 1.00 2.97 H new