USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1017 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: B 57 LYS NZ :NH3+ -152:sc= 1.47 (180deg=0.72) USER MOD Set 1.2: B 64 TYR OH : rot 180:sc= 0.988 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.373 K(o=0.39,f=-5.8!) USER MOD Set 2.2: B 3 LYS NZ :NH3+ -170:sc= 0.764 (180deg=0.644) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.0011 X(o=-2,f=-2.1) USER MOD Set 3.2: A 18 ASN : amide:sc= -2.02! K(o=-2!,f=1.1) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0125 (180deg=-0.112) USER MOD Single : A 9 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.32) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -1.08 (180deg=-2.28!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0.346 (180deg=0.322) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -1.17 USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.28 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0.215 (180deg=0.114) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 0.82 (180deg=-0.157) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 TYR OH : rot -86:sc= 0.271 USER MOD Single : A 65 ASN : amide:sc= -0.648 K(o=-0.65,f=-2.9) USER MOD Single : B 4 LYS NZ :NH3+ 169:sc=-0.00826 (180deg=-0.136) USER MOD Single : B 9 ASN : amide:sc= 0.365 K(o=0.37,f=-0.26) USER MOD Single : B 12 LYS NZ :NH3+ 147:sc= -1.73! (180deg=-3.75!) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 51:sc= -0.15 USER MOD Single : B 31 LYS NZ :NH3+ 175:sc=-0.00133 (180deg=-0.0523) USER MOD Single : B 33 ASN : amide:sc= -0.0987 X(o=-0.099,f=-0.39) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 150:sc= 0.533 USER MOD Single : B 39 THR OG1 : rot -140:sc= -0.0525 USER MOD Single : B 50 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -167:sc= 0.279 (180deg=0.208) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 65 ASN : amide:sc= 0.208 K(o=0.21,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.747 13.391 6.510 1.00 3.20 N ATOM 55 CA LYS A 4 -3.080 13.493 7.180 1.00 73.24 C ATOM 56 C LYS A 4 -4.220 12.831 6.343 1.00 71.51 C ATOM 57 O LYS A 4 -5.082 12.147 6.910 1.00 75.04 O ATOM 58 CB LYS A 4 -3.423 14.984 7.510 1.00 32.15 C ATOM 59 CG LYS A 4 -2.885 15.501 8.874 1.00 12.34 C ATOM 60 CD LYS A 4 -1.341 15.437 9.018 1.00 52.23 C ATOM 61 CE LYS A 4 -0.855 15.918 10.403 1.00 33.55 C ATOM 62 NZ LYS A 4 -1.391 15.077 11.510 1.00 24.42 N ATOM 0 HA LYS A 4 -3.010 12.936 8.115 1.00 73.24 H new ATOM 0 HB2 LYS A 4 -3.023 15.616 6.717 1.00 32.15 H new ATOM 0 HB3 LYS A 4 -4.506 15.102 7.497 1.00 32.15 H new ATOM 0 HG2 LYS A 4 -3.208 16.533 9.011 1.00 12.34 H new ATOM 0 HG3 LYS A 4 -3.337 14.916 9.675 1.00 12.34 H new ATOM 0 HD2 LYS A 4 -1.006 14.413 8.855 1.00 52.23 H new ATOM 0 HD3 LYS A 4 -0.881 16.050 8.242 1.00 52.23 H new ATOM 0 HE2 LYS A 4 0.235 15.900 10.430 1.00 33.55 H new ATOM 0 HE3 LYS A 4 -1.161 16.953 10.554 1.00 33.55 H new ATOM 0 HZ1 LYS A 4 -0.911 15.325 12.398 1.00 24.42 H new ATOM 0 HZ2 LYS A 4 -2.413 15.245 11.610 1.00 24.42 H new ATOM 0 HZ3 LYS A 4 -1.224 14.073 11.295 1.00 24.42 H new ATOM 76 N ILE A 5 -4.218 13.058 5.004 1.00 34.51 N ATOM 77 CA ILE A 5 -5.246 12.502 4.059 1.00 42.15 C ATOM 78 C ILE A 5 -5.368 10.958 4.193 1.00 74.44 C ATOM 79 O ILE A 5 -6.467 10.405 4.305 1.00 63.25 O ATOM 80 CB ILE A 5 -4.890 12.862 2.557 1.00 34.24 C ATOM 81 CG1 ILE A 5 -4.799 14.414 2.358 1.00 13.41 C ATOM 82 CG2 ILE A 5 -5.895 12.231 1.545 1.00 12.21 C ATOM 83 CD1 ILE A 5 -4.379 14.858 0.957 1.00 33.25 C ATOM 0 H ILE A 5 -3.510 13.628 4.541 1.00 34.51 H new ATOM 0 HA ILE A 5 -6.200 12.957 4.326 1.00 42.15 H new ATOM 0 HB ILE A 5 -3.911 12.429 2.350 1.00 34.24 H new ATOM 0 HG12 ILE A 5 -5.770 14.853 2.587 1.00 13.41 H new ATOM 0 HG13 ILE A 5 -4.089 14.818 3.080 1.00 13.41 H new ATOM 0 HG21 ILE A 5 -5.610 12.506 0.530 1.00 12.21 H new ATOM 0 HG22 ILE A 5 -5.879 11.146 1.645 1.00 12.21 H new ATOM 0 HG23 ILE A 5 -6.900 12.600 1.752 1.00 12.21 H new ATOM 0 HD11 ILE A 5 -4.344 15.947 0.916 1.00 33.25 H new ATOM 0 HD12 ILE A 5 -3.393 14.454 0.728 1.00 33.25 H new ATOM 0 HD13 ILE A 5 -5.100 14.490 0.227 1.00 33.25 H new ATOM 95 N VAL A 6 -4.204 10.304 4.197 1.00 2.40 N ATOM 96 CA VAL A 6 -4.056 8.842 4.329 1.00 0.04 C ATOM 97 C VAL A 6 -4.621 8.313 5.664 1.00 65.43 C ATOM 98 O VAL A 6 -5.067 7.179 5.723 1.00 52.45 O ATOM 99 CB VAL A 6 -2.544 8.429 4.194 1.00 61.50 C ATOM 100 CG1 VAL A 6 -1.976 8.904 2.845 1.00 42.31 C ATOM 101 CG2 VAL A 6 -1.690 8.978 5.366 1.00 73.33 C ATOM 0 H VAL A 6 -3.309 10.785 4.106 1.00 2.40 H new ATOM 0 HA VAL A 6 -4.634 8.391 3.523 1.00 0.04 H new ATOM 0 HB VAL A 6 -2.496 7.341 4.235 1.00 61.50 H new ATOM 0 HG11 VAL A 6 -0.929 8.610 2.767 1.00 42.31 H new ATOM 0 HG12 VAL A 6 -2.542 8.449 2.032 1.00 42.31 H new ATOM 0 HG13 VAL A 6 -2.054 9.989 2.779 1.00 42.31 H new ATOM 0 HG21 VAL A 6 -0.652 8.671 5.235 1.00 73.33 H new ATOM 0 HG22 VAL A 6 -1.747 10.066 5.379 1.00 73.33 H new ATOM 0 HG23 VAL A 6 -2.069 8.583 6.309 1.00 73.33 H new ATOM 111 N GLY A 7 -4.588 9.162 6.717 1.00 42.34 N ATOM 112 CA GLY A 7 -5.142 8.815 8.035 1.00 70.34 C ATOM 113 C GLY A 7 -6.672 8.740 8.032 1.00 2.13 C ATOM 114 O GLY A 7 -7.263 7.827 8.624 1.00 72.51 O ATOM 0 H GLY A 7 -4.180 10.096 6.673 1.00 42.34 H new ATOM 0 HA2 GLY A 7 -4.736 7.855 8.354 1.00 70.34 H new ATOM 0 HA3 GLY A 7 -4.820 9.556 8.766 1.00 70.34 H new ATOM 118 N ALA A 8 -7.310 9.707 7.341 1.00 33.23 N ATOM 119 CA ALA A 8 -8.776 9.719 7.122 1.00 63.53 C ATOM 120 C ALA A 8 -9.230 8.495 6.277 1.00 54.44 C ATOM 121 O ALA A 8 -10.234 7.839 6.588 1.00 1.24 O ATOM 122 CB ALA A 8 -9.191 11.037 6.442 1.00 2.21 C ATOM 0 H ALA A 8 -6.827 10.500 6.919 1.00 33.23 H new ATOM 0 HA ALA A 8 -9.271 9.649 8.091 1.00 63.53 H new ATOM 0 HB1 ALA A 8 -10.269 11.041 6.283 1.00 2.21 H new ATOM 0 HB2 ALA A 8 -8.915 11.878 7.079 1.00 2.21 H new ATOM 0 HB3 ALA A 8 -8.683 11.127 5.482 1.00 2.21 H new ATOM 128 N ASN A 9 -8.453 8.193 5.217 1.00 52.45 N ATOM 129 CA ASN A 9 -8.679 7.017 4.338 1.00 22.05 C ATOM 130 C ASN A 9 -8.420 5.686 5.087 1.00 41.41 C ATOM 131 O ASN A 9 -9.117 4.693 4.862 1.00 12.44 O ATOM 132 CB ASN A 9 -7.768 7.104 3.083 1.00 14.31 C ATOM 133 CG ASN A 9 -8.012 8.357 2.238 1.00 51.23 C ATOM 134 OD1 ASN A 9 -9.120 8.887 2.181 1.00 41.12 O ATOM 135 ND2 ASN A 9 -6.981 8.841 1.569 1.00 2.35 N ATOM 0 H ASN A 9 -7.648 8.756 4.942 1.00 52.45 H new ATOM 0 HA ASN A 9 -9.724 7.030 4.030 1.00 22.05 H new ATOM 0 HB2 ASN A 9 -6.725 7.086 3.399 1.00 14.31 H new ATOM 0 HB3 ASN A 9 -7.929 6.221 2.465 1.00 14.31 H new ATOM 0 HD21 ASN A 9 -7.094 9.672 0.989 1.00 2.35 H new ATOM 0 HD22 ASN A 9 -6.072 8.383 1.632 1.00 2.35 H new ATOM 142 N ALA A 10 -7.428 5.694 6.000 1.00 35.13 N ATOM 143 CA ALA A 10 -7.012 4.495 6.767 1.00 43.12 C ATOM 144 C ALA A 10 -8.055 4.109 7.828 1.00 33.34 C ATOM 145 O ALA A 10 -8.263 2.929 8.090 1.00 3.34 O ATOM 146 CB ALA A 10 -5.650 4.734 7.433 1.00 40.43 C ATOM 0 H ALA A 10 -6.891 6.530 6.229 1.00 35.13 H new ATOM 0 HA ALA A 10 -6.929 3.667 6.063 1.00 43.12 H new ATOM 0 HB1 ALA A 10 -5.358 3.845 7.992 1.00 40.43 H new ATOM 0 HB2 ALA A 10 -4.903 4.943 6.668 1.00 40.43 H new ATOM 0 HB3 ALA A 10 -5.721 5.583 8.112 1.00 40.43 H new ATOM 152 N GLY A 11 -8.705 5.128 8.422 1.00 14.30 N ATOM 153 CA GLY A 11 -9.815 4.912 9.362 1.00 34.03 C ATOM 154 C GLY A 11 -11.019 4.214 8.706 1.00 74.45 C ATOM 155 O GLY A 11 -11.688 3.385 9.331 1.00 5.44 O ATOM 0 H GLY A 11 -8.478 6.110 8.265 1.00 14.30 H new ATOM 0 HA2 GLY A 11 -9.464 4.311 10.201 1.00 34.03 H new ATOM 0 HA3 GLY A 11 -10.134 5.872 9.769 1.00 34.03 H new ATOM 159 N LYS A 12 -11.263 4.557 7.425 1.00 60.24 N ATOM 160 CA LYS A 12 -12.309 3.932 6.583 1.00 21.03 C ATOM 161 C LYS A 12 -11.975 2.448 6.261 1.00 10.54 C ATOM 162 O LYS A 12 -12.817 1.560 6.434 1.00 53.12 O ATOM 163 CB LYS A 12 -12.478 4.761 5.277 1.00 73.44 C ATOM 164 CG LYS A 12 -13.461 4.169 4.239 1.00 4.32 C ATOM 165 CD LYS A 12 -13.713 5.104 3.020 1.00 13.35 C ATOM 166 CE LYS A 12 -14.732 6.235 3.297 1.00 14.04 C ATOM 167 NZ LYS A 12 -14.284 7.200 4.333 1.00 52.55 N ATOM 0 H LYS A 12 -10.736 5.282 6.939 1.00 60.24 H new ATOM 0 HA LYS A 12 -13.249 3.932 7.136 1.00 21.03 H new ATOM 0 HB2 LYS A 12 -12.817 5.762 5.543 1.00 73.44 H new ATOM 0 HB3 LYS A 12 -11.501 4.870 4.806 1.00 73.44 H new ATOM 0 HG2 LYS A 12 -13.070 3.216 3.882 1.00 4.32 H new ATOM 0 HG3 LYS A 12 -14.412 3.959 4.729 1.00 4.32 H new ATOM 0 HD2 LYS A 12 -12.766 5.549 2.714 1.00 13.35 H new ATOM 0 HD3 LYS A 12 -14.069 4.504 2.182 1.00 13.35 H new ATOM 0 HE2 LYS A 12 -14.924 6.774 2.369 1.00 14.04 H new ATOM 0 HE3 LYS A 12 -15.677 5.792 3.610 1.00 14.04 H new ATOM 0 HZ1 LYS A 12 -14.783 8.104 4.205 1.00 52.55 H new ATOM 0 HZ2 LYS A 12 -14.496 6.819 5.277 1.00 52.55 H new ATOM 0 HZ3 LYS A 12 -13.259 7.354 4.244 1.00 52.55 H new ATOM 181 N VAL A 13 -10.734 2.198 5.809 1.00 31.21 N ATOM 182 CA VAL A 13 -10.253 0.835 5.457 1.00 0.05 C ATOM 183 C VAL A 13 -10.174 -0.095 6.707 1.00 43.24 C ATOM 184 O VAL A 13 -10.456 -1.297 6.631 1.00 3.24 O ATOM 185 CB VAL A 13 -8.858 0.927 4.723 1.00 31.51 C ATOM 186 CG1 VAL A 13 -8.273 -0.470 4.408 1.00 50.41 C ATOM 187 CG2 VAL A 13 -8.978 1.777 3.428 1.00 43.24 C ATOM 0 H VAL A 13 -10.033 2.926 5.675 1.00 31.21 H new ATOM 0 HA VAL A 13 -10.977 0.386 4.777 1.00 0.05 H new ATOM 0 HB VAL A 13 -8.165 1.420 5.404 1.00 31.51 H new ATOM 0 HG11 VAL A 13 -7.313 -0.357 3.903 1.00 50.41 H new ATOM 0 HG12 VAL A 13 -8.132 -1.023 5.337 1.00 50.41 H new ATOM 0 HG13 VAL A 13 -8.961 -1.015 3.762 1.00 50.41 H new ATOM 0 HG21 VAL A 13 -8.007 1.829 2.936 1.00 43.24 H new ATOM 0 HG22 VAL A 13 -9.701 1.316 2.756 1.00 43.24 H new ATOM 0 HG23 VAL A 13 -9.310 2.783 3.683 1.00 43.24 H new ATOM 197 N TRP A 14 -9.821 0.499 7.857 1.00 45.02 N ATOM 198 CA TRP A 14 -9.760 -0.203 9.162 1.00 71.12 C ATOM 199 C TRP A 14 -11.184 -0.542 9.677 1.00 13.22 C ATOM 200 O TRP A 14 -11.403 -1.570 10.326 1.00 11.24 O ATOM 201 CB TRP A 14 -8.985 0.660 10.190 1.00 12.21 C ATOM 202 CG TRP A 14 -8.596 -0.074 11.453 1.00 52.42 C ATOM 203 CD1 TRP A 14 -7.549 -0.934 11.619 1.00 42.54 C ATOM 204 CD2 TRP A 14 -9.254 -0.002 12.716 1.00 74.14 C ATOM 205 NE1 TRP A 14 -7.518 -1.389 12.908 1.00 4.41 N ATOM 206 CE2 TRP A 14 -8.562 -0.841 13.600 1.00 65.31 C ATOM 207 CE3 TRP A 14 -10.368 0.693 13.170 1.00 71.40 C ATOM 208 CZ2 TRP A 14 -8.945 -1.002 14.926 1.00 43.14 C ATOM 209 CZ3 TRP A 14 -10.757 0.537 14.486 1.00 32.11 C ATOM 210 CH2 TRP A 14 -10.046 -0.310 15.353 1.00 74.11 C ATOM 0 H TRP A 14 -9.567 1.485 7.915 1.00 45.02 H new ATOM 0 HA TRP A 14 -9.228 -1.145 9.028 1.00 71.12 H new ATOM 0 HB2 TRP A 14 -8.083 1.046 9.716 1.00 12.21 H new ATOM 0 HB3 TRP A 14 -9.597 1.521 10.458 1.00 12.21 H new ATOM 0 HD1 TRP A 14 -6.848 -1.214 10.846 1.00 42.54 H new ATOM 0 HE1 TRP A 14 -6.827 -2.034 13.292 1.00 4.41 H new ATOM 0 HE3 TRP A 14 -10.919 1.343 12.507 1.00 71.40 H new ATOM 0 HZ2 TRP A 14 -8.395 -1.648 15.594 1.00 43.14 H new ATOM 0 HZ3 TRP A 14 -11.619 1.073 14.854 1.00 32.11 H new ATOM 0 HH2 TRP A 14 -10.375 -0.417 16.376 1.00 74.11 H new ATOM 221 N HIS A 15 -12.145 0.352 9.372 1.00 71.15 N ATOM 222 CA HIS A 15 -13.586 0.127 9.632 1.00 1.53 C ATOM 223 C HIS A 15 -14.145 -1.020 8.746 1.00 55.23 C ATOM 224 O HIS A 15 -15.106 -1.691 9.110 1.00 24.02 O ATOM 225 CB HIS A 15 -14.380 1.439 9.417 1.00 21.40 C ATOM 226 CG HIS A 15 -15.854 1.336 9.718 1.00 14.11 C ATOM 227 ND1 HIS A 15 -16.345 0.806 10.892 1.00 22.33 N ATOM 228 CD2 HIS A 15 -16.943 1.667 8.980 1.00 0.44 C ATOM 229 CE1 HIS A 15 -17.660 0.813 10.864 1.00 31.13 C ATOM 230 NE2 HIS A 15 -18.046 1.333 9.721 1.00 61.42 N ATOM 0 H HIS A 15 -11.946 1.253 8.937 1.00 71.15 H new ATOM 0 HA HIS A 15 -13.704 -0.179 10.671 1.00 1.53 H new ATOM 0 HB2 HIS A 15 -13.948 2.217 10.046 1.00 21.40 H new ATOM 0 HB3 HIS A 15 -14.255 1.759 8.382 1.00 21.40 H new ATOM 0 HD1 HIS A 15 -15.775 0.461 11.665 1.00 22.33 H new ATOM 0 HD2 HIS A 15 -16.941 2.110 7.995 1.00 0.44 H new ATOM 0 HE1 HIS A 15 -18.311 0.453 11.647 1.00 31.13 H new ATOM 239 N ALA A 16 -13.554 -1.204 7.563 1.00 3.13 N ATOM 240 CA ALA A 16 -13.911 -2.313 6.646 1.00 65.35 C ATOM 241 C ALA A 16 -13.427 -3.689 7.186 1.00 55.24 C ATOM 242 O ALA A 16 -14.059 -4.709 6.919 1.00 2.43 O ATOM 243 CB ALA A 16 -13.338 -2.042 5.249 1.00 51.23 C ATOM 0 H ALA A 16 -12.816 -0.597 7.206 1.00 3.13 H new ATOM 0 HA ALA A 16 -14.998 -2.360 6.581 1.00 65.35 H new ATOM 0 HB1 ALA A 16 -13.605 -2.861 4.581 1.00 51.23 H new ATOM 0 HB2 ALA A 16 -13.749 -1.110 4.862 1.00 51.23 H new ATOM 0 HB3 ALA A 16 -12.253 -1.962 5.310 1.00 51.23 H new ATOM 249 N LEU A 17 -12.293 -3.689 7.928 1.00 72.04 N ATOM 250 CA LEU A 17 -11.715 -4.906 8.578 1.00 73.02 C ATOM 251 C LEU A 17 -12.679 -5.586 9.589 1.00 61.15 C ATOM 252 O LEU A 17 -12.748 -6.819 9.647 1.00 40.25 O ATOM 253 CB LEU A 17 -10.390 -4.551 9.299 1.00 45.35 C ATOM 254 CG LEU A 17 -9.206 -4.125 8.380 1.00 31.20 C ATOM 255 CD1 LEU A 17 -8.013 -3.617 9.216 1.00 12.42 C ATOM 256 CD2 LEU A 17 -8.788 -5.295 7.461 1.00 54.42 C ATOM 0 H LEU A 17 -11.746 -2.845 8.097 1.00 72.04 H new ATOM 0 HA LEU A 17 -11.536 -5.620 7.774 1.00 73.02 H new ATOM 0 HB2 LEU A 17 -10.587 -3.742 10.002 1.00 45.35 H new ATOM 0 HB3 LEU A 17 -10.076 -5.414 9.886 1.00 45.35 H new ATOM 0 HG LEU A 17 -9.540 -3.301 7.749 1.00 31.20 H new ATOM 0 HD11 LEU A 17 -7.200 -3.326 8.551 1.00 12.42 H new ATOM 0 HD12 LEU A 17 -8.324 -2.756 9.807 1.00 12.42 H new ATOM 0 HD13 LEU A 17 -7.671 -4.410 9.881 1.00 12.42 H new ATOM 0 HD21 LEU A 17 -7.960 -4.981 6.826 1.00 54.42 H new ATOM 0 HD22 LEU A 17 -8.476 -6.143 8.071 1.00 54.42 H new ATOM 0 HD23 LEU A 17 -9.633 -5.588 6.838 1.00 54.42 H new ATOM 268 N ASN A 18 -13.427 -4.776 10.377 1.00 53.12 N ATOM 269 CA ASN A 18 -14.383 -5.305 11.398 1.00 4.45 C ATOM 270 C ASN A 18 -15.598 -6.030 10.754 1.00 71.02 C ATOM 271 O ASN A 18 -16.382 -6.688 11.444 1.00 40.45 O ATOM 272 CB ASN A 18 -14.818 -4.179 12.392 1.00 43.43 C ATOM 273 CG ASN A 18 -15.549 -2.969 11.784 1.00 41.23 C ATOM 274 OD1 ASN A 18 -15.217 -1.825 12.077 1.00 41.11 O ATOM 275 ND2 ASN A 18 -16.599 -3.187 11.010 1.00 62.24 N ATOM 0 H ASN A 18 -13.392 -3.758 10.331 1.00 53.12 H new ATOM 0 HA ASN A 18 -13.857 -6.065 11.975 1.00 4.45 H new ATOM 0 HB2 ASN A 18 -15.465 -4.623 13.148 1.00 43.43 H new ATOM 0 HB3 ASN A 18 -13.928 -3.816 12.907 1.00 43.43 H new ATOM 0 HD21 ASN A 18 -17.140 -2.400 10.651 1.00 62.24 H new ATOM 0 HD22 ASN A 18 -16.867 -4.142 10.772 1.00 62.24 H new ATOM 282 N GLU A 19 -15.743 -5.871 9.429 1.00 51.24 N ATOM 283 CA GLU A 19 -16.733 -6.589 8.605 1.00 61.42 C ATOM 284 C GLU A 19 -16.034 -7.722 7.800 1.00 44.54 C ATOM 285 O GLU A 19 -16.582 -8.823 7.658 1.00 10.15 O ATOM 286 CB GLU A 19 -17.444 -5.549 7.677 1.00 22.51 C ATOM 287 CG GLU A 19 -18.530 -6.100 6.703 1.00 23.31 C ATOM 288 CD GLU A 19 -17.979 -6.610 5.348 1.00 33.23 C ATOM 289 OE1 GLU A 19 -17.470 -5.785 4.562 1.00 60.42 O ATOM 290 OE2 GLU A 19 -18.056 -7.824 5.060 1.00 34.40 O ATOM 0 H GLU A 19 -15.165 -5.228 8.888 1.00 51.24 H new ATOM 0 HA GLU A 19 -17.487 -7.068 9.229 1.00 61.42 H new ATOM 0 HB2 GLU A 19 -17.908 -4.792 8.309 1.00 22.51 H new ATOM 0 HB3 GLU A 19 -16.680 -5.045 7.084 1.00 22.51 H new ATOM 0 HG2 GLU A 19 -19.061 -6.915 7.195 1.00 23.31 H new ATOM 0 HG3 GLU A 19 -19.260 -5.314 6.511 1.00 23.31 H new ATOM 297 N ALA A 20 -14.813 -7.437 7.290 1.00 32.10 N ATOM 298 CA ALA A 20 -14.075 -8.337 6.371 1.00 24.02 C ATOM 299 C ALA A 20 -12.567 -8.456 6.733 1.00 64.13 C ATOM 300 O ALA A 20 -11.743 -7.634 6.312 1.00 41.45 O ATOM 301 CB ALA A 20 -14.248 -7.842 4.917 1.00 20.01 C ATOM 0 H ALA A 20 -14.311 -6.575 7.504 1.00 32.10 H new ATOM 0 HA ALA A 20 -14.498 -9.336 6.475 1.00 24.02 H new ATOM 0 HB1 ALA A 20 -13.706 -8.503 4.241 1.00 20.01 H new ATOM 0 HB2 ALA A 20 -15.306 -7.844 4.655 1.00 20.01 H new ATOM 0 HB3 ALA A 20 -13.854 -6.830 4.828 1.00 20.01 H new ATOM 307 N ASP A 21 -12.232 -9.462 7.565 1.00 42.35 N ATOM 308 CA ASP A 21 -10.829 -9.890 7.796 1.00 53.31 C ATOM 309 C ASP A 21 -10.389 -10.899 6.707 1.00 22.42 C ATOM 310 O ASP A 21 -11.128 -11.843 6.390 1.00 31.31 O ATOM 311 CB ASP A 21 -10.657 -10.524 9.199 1.00 14.31 C ATOM 312 CG ASP A 21 -10.930 -9.532 10.335 1.00 5.12 C ATOM 313 OD1 ASP A 21 -10.088 -8.640 10.561 1.00 4.41 O ATOM 314 OD2 ASP A 21 -11.975 -9.644 11.013 1.00 63.55 O ATOM 0 H ASP A 21 -12.918 -10.000 8.095 1.00 42.35 H new ATOM 0 HA ASP A 21 -10.198 -9.003 7.742 1.00 53.31 H new ATOM 0 HB2 ASP A 21 -11.333 -11.374 9.294 1.00 14.31 H new ATOM 0 HB3 ASP A 21 -9.643 -10.911 9.296 1.00 14.31 H new ATOM 319 N GLY A 22 -9.184 -10.692 6.145 1.00 54.53 N ATOM 320 CA GLY A 22 -8.653 -11.558 5.080 1.00 63.23 C ATOM 321 C GLY A 22 -9.310 -11.301 3.730 1.00 74.41 C ATOM 322 O GLY A 22 -9.968 -12.180 3.161 1.00 3.21 O ATOM 0 H GLY A 22 -8.560 -9.931 6.412 1.00 54.53 H new ATOM 0 HA2 GLY A 22 -7.578 -11.401 4.992 1.00 63.23 H new ATOM 0 HA3 GLY A 22 -8.801 -12.601 5.358 1.00 63.23 H new ATOM 326 N ILE A 23 -9.143 -10.071 3.232 1.00 71.03 N ATOM 327 CA ILE A 23 -9.735 -9.621 1.958 1.00 21.31 C ATOM 328 C ILE A 23 -8.650 -9.028 1.020 1.00 55.24 C ATOM 329 O ILE A 23 -7.673 -8.421 1.481 1.00 64.43 O ATOM 330 CB ILE A 23 -10.899 -8.583 2.228 1.00 24.21 C ATOM 331 CG1 ILE A 23 -11.545 -8.089 0.891 1.00 10.44 C ATOM 332 CG2 ILE A 23 -10.418 -7.391 3.094 1.00 3.02 C ATOM 333 CD1 ILE A 23 -12.699 -7.124 1.050 1.00 21.25 C ATOM 0 H ILE A 23 -8.591 -9.352 3.701 1.00 71.03 H new ATOM 0 HA ILE A 23 -10.165 -10.485 1.451 1.00 21.31 H new ATOM 0 HB ILE A 23 -11.669 -9.105 2.795 1.00 24.21 H new ATOM 0 HG12 ILE A 23 -10.773 -7.611 0.288 1.00 10.44 H new ATOM 0 HG13 ILE A 23 -11.893 -8.958 0.332 1.00 10.44 H new ATOM 0 HG21 ILE A 23 -11.246 -6.702 3.256 1.00 3.02 H new ATOM 0 HG22 ILE A 23 -10.060 -7.761 4.055 1.00 3.02 H new ATOM 0 HG23 ILE A 23 -9.609 -6.871 2.581 1.00 3.02 H new ATOM 0 HD11 ILE A 23 -13.076 -6.842 0.067 1.00 21.25 H new ATOM 0 HD12 ILE A 23 -13.496 -7.601 1.621 1.00 21.25 H new ATOM 0 HD13 ILE A 23 -12.358 -6.233 1.577 1.00 21.25 H new ATOM 345 N SER A 24 -8.834 -9.253 -0.301 1.00 2.34 N ATOM 346 CA SER A 24 -7.989 -8.668 -1.362 1.00 23.33 C ATOM 347 C SER A 24 -8.200 -7.141 -1.445 1.00 20.24 C ATOM 348 O SER A 24 -9.340 -6.671 -1.386 1.00 63.21 O ATOM 349 CB SER A 24 -8.331 -9.308 -2.733 1.00 23.53 C ATOM 350 OG SER A 24 -8.196 -10.723 -2.700 1.00 74.10 O ATOM 0 H SER A 24 -9.579 -9.850 -0.661 1.00 2.34 H new ATOM 0 HA SER A 24 -6.947 -8.871 -1.116 1.00 23.33 H new ATOM 0 HB2 SER A 24 -9.351 -9.046 -3.013 1.00 23.53 H new ATOM 0 HB3 SER A 24 -7.675 -8.897 -3.500 1.00 23.53 H new ATOM 0 HG SER A 24 -8.421 -11.094 -3.579 1.00 74.10 H new ATOM 356 N ILE A 25 -7.102 -6.386 -1.621 1.00 43.42 N ATOM 357 CA ILE A 25 -7.124 -4.906 -1.687 1.00 54.30 C ATOM 358 C ILE A 25 -8.042 -4.325 -2.838 1.00 32.21 C ATOM 359 O ILE A 25 -8.746 -3.349 -2.581 1.00 50.10 O ATOM 360 CB ILE A 25 -5.654 -4.332 -1.783 1.00 21.53 C ATOM 361 CG1 ILE A 25 -4.846 -4.702 -0.485 1.00 14.21 C ATOM 362 CG2 ILE A 25 -5.645 -2.809 -2.060 1.00 25.22 C ATOM 363 CD1 ILE A 25 -3.387 -4.253 -0.468 1.00 21.32 C ATOM 0 H ILE A 25 -6.168 -6.783 -1.722 1.00 43.42 H new ATOM 0 HA ILE A 25 -7.581 -4.569 -0.756 1.00 54.30 H new ATOM 0 HB ILE A 25 -5.159 -4.797 -2.636 1.00 21.53 H new ATOM 0 HG12 ILE A 25 -5.353 -4.263 0.375 1.00 14.21 H new ATOM 0 HG13 ILE A 25 -4.876 -5.784 -0.355 1.00 14.21 H new ATOM 0 HG21 ILE A 25 -4.615 -2.456 -2.118 1.00 25.22 H new ATOM 0 HG22 ILE A 25 -6.152 -2.608 -3.004 1.00 25.22 H new ATOM 0 HG23 ILE A 25 -6.162 -2.289 -1.253 1.00 25.22 H new ATOM 0 HD11 ILE A 25 -2.923 -4.558 0.470 1.00 21.32 H new ATOM 0 HD12 ILE A 25 -2.855 -4.712 -1.302 1.00 21.32 H new ATOM 0 HD13 ILE A 25 -3.339 -3.168 -0.560 1.00 21.32 H new ATOM 375 N PRO A 26 -8.063 -4.882 -4.116 1.00 53.31 N ATOM 376 CA PRO A 26 -9.016 -4.410 -5.170 1.00 34.55 C ATOM 377 C PRO A 26 -10.517 -4.611 -4.807 1.00 65.43 C ATOM 378 O PRO A 26 -11.360 -3.791 -5.189 1.00 21.55 O ATOM 379 CB PRO A 26 -8.613 -5.237 -6.430 1.00 35.44 C ATOM 380 CG PRO A 26 -7.882 -6.428 -5.883 1.00 61.04 C ATOM 381 CD PRO A 26 -7.143 -5.916 -4.669 1.00 3.15 C ATOM 0 HA PRO A 26 -8.940 -3.332 -5.313 1.00 34.55 H new ATOM 0 HB2 PRO A 26 -9.490 -5.539 -7.003 1.00 35.44 H new ATOM 0 HB3 PRO A 26 -7.979 -4.656 -7.100 1.00 35.44 H new ATOM 0 HG2 PRO A 26 -8.574 -7.226 -5.615 1.00 61.04 H new ATOM 0 HG3 PRO A 26 -7.192 -6.839 -6.620 1.00 61.04 H new ATOM 0 HD2 PRO A 26 -6.953 -6.712 -3.949 1.00 3.15 H new ATOM 0 HD3 PRO A 26 -6.176 -5.491 -4.937 1.00 3.15 H new ATOM 389 N GLU A 27 -10.834 -5.679 -4.048 1.00 14.23 N ATOM 390 CA GLU A 27 -12.229 -5.994 -3.631 1.00 2.33 C ATOM 391 C GLU A 27 -12.669 -5.013 -2.527 1.00 12.32 C ATOM 392 O GLU A 27 -13.774 -4.454 -2.530 1.00 31.41 O ATOM 393 CB GLU A 27 -12.309 -7.449 -3.104 1.00 0.45 C ATOM 394 CG GLU A 27 -13.751 -7.944 -2.835 1.00 4.54 C ATOM 395 CD GLU A 27 -13.814 -9.382 -2.302 1.00 53.02 C ATOM 396 OE1 GLU A 27 -13.568 -10.331 -3.084 1.00 74.11 O ATOM 397 OE2 GLU A 27 -14.100 -9.577 -1.095 1.00 2.11 O ATOM 0 H GLU A 27 -10.143 -6.346 -3.706 1.00 14.23 H new ATOM 0 HA GLU A 27 -12.892 -5.893 -4.490 1.00 2.33 H new ATOM 0 HB2 GLU A 27 -11.837 -8.113 -3.828 1.00 0.45 H new ATOM 0 HB3 GLU A 27 -11.733 -7.522 -2.182 1.00 0.45 H new ATOM 0 HG2 GLU A 27 -14.228 -7.277 -2.117 1.00 4.54 H new ATOM 0 HG3 GLU A 27 -14.327 -7.881 -3.759 1.00 4.54 H new ATOM 404 N LEU A 28 -11.742 -4.843 -1.592 1.00 11.04 N ATOM 405 CA LEU A 28 -11.795 -3.873 -0.492 1.00 14.03 C ATOM 406 C LEU A 28 -11.958 -2.422 -1.011 1.00 53.53 C ATOM 407 O LEU A 28 -12.713 -1.631 -0.441 1.00 53.04 O ATOM 408 CB LEU A 28 -10.470 -4.058 0.281 1.00 75.12 C ATOM 409 CG LEU A 28 -10.192 -3.136 1.489 1.00 12.12 C ATOM 410 CD1 LEU A 28 -11.218 -3.341 2.625 1.00 33.01 C ATOM 411 CD2 LEU A 28 -8.739 -3.348 1.968 1.00 62.12 C ATOM 0 H LEU A 28 -10.889 -5.402 -1.575 1.00 11.04 H new ATOM 0 HA LEU A 28 -12.660 -4.044 0.149 1.00 14.03 H new ATOM 0 HB2 LEU A 28 -10.432 -5.089 0.634 1.00 75.12 H new ATOM 0 HB3 LEU A 28 -9.651 -3.933 -0.428 1.00 75.12 H new ATOM 0 HG LEU A 28 -10.307 -2.099 1.173 1.00 12.12 H new ATOM 0 HD11 LEU A 28 -10.983 -2.672 3.453 1.00 33.01 H new ATOM 0 HD12 LEU A 28 -12.219 -3.122 2.255 1.00 33.01 H new ATOM 0 HD13 LEU A 28 -11.177 -4.374 2.970 1.00 33.01 H new ATOM 0 HD21 LEU A 28 -8.539 -2.699 2.821 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -8.601 -4.388 2.263 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -8.050 -3.107 1.158 1.00 62.12 H new ATOM 423 N ALA A 29 -11.261 -2.122 -2.129 1.00 4.15 N ATOM 424 CA ALA A 29 -11.279 -0.796 -2.796 1.00 20.24 C ATOM 425 C ALA A 29 -12.693 -0.382 -3.252 1.00 20.30 C ATOM 426 O ALA A 29 -13.061 0.790 -3.170 1.00 33.25 O ATOM 427 CB ALA A 29 -10.321 -0.793 -3.997 1.00 74.31 C ATOM 0 H ALA A 29 -10.662 -2.800 -2.601 1.00 4.15 H new ATOM 0 HA ALA A 29 -10.949 -0.064 -2.058 1.00 20.24 H new ATOM 0 HB1 ALA A 29 -10.343 0.185 -4.478 1.00 74.31 H new ATOM 0 HB2 ALA A 29 -9.308 -1.006 -3.655 1.00 74.31 H new ATOM 0 HB3 ALA A 29 -10.631 -1.556 -4.711 1.00 74.31 H new ATOM 433 N ARG A 30 -13.475 -1.369 -3.721 1.00 74.13 N ATOM 434 CA ARG A 30 -14.872 -1.159 -4.156 1.00 62.52 C ATOM 435 C ARG A 30 -15.785 -0.763 -2.960 1.00 2.34 C ATOM 436 O ARG A 30 -16.602 0.158 -3.076 1.00 44.52 O ATOM 437 CB ARG A 30 -15.405 -2.437 -4.868 1.00 42.33 C ATOM 438 CG ARG A 30 -16.897 -2.378 -5.279 1.00 55.12 C ATOM 439 CD ARG A 30 -17.355 -3.620 -6.072 1.00 31.12 C ATOM 440 NE ARG A 30 -16.755 -3.662 -7.421 1.00 43.51 N ATOM 441 CZ ARG A 30 -16.327 -4.741 -8.044 1.00 73.23 C ATOM 442 NH1 ARG A 30 -16.379 -5.915 -7.489 1.00 15.51 N ATOM 443 NH2 ARG A 30 -15.841 -4.634 -9.235 1.00 3.40 N ATOM 0 H ARG A 30 -13.160 -2.335 -3.810 1.00 74.13 H new ATOM 0 HA ARG A 30 -14.891 -0.331 -4.864 1.00 62.52 H new ATOM 0 HB2 ARG A 30 -14.804 -2.616 -5.760 1.00 42.33 H new ATOM 0 HB3 ARG A 30 -15.258 -3.292 -4.208 1.00 42.33 H new ATOM 0 HG2 ARG A 30 -17.511 -2.279 -4.384 1.00 55.12 H new ATOM 0 HG3 ARG A 30 -17.067 -1.486 -5.882 1.00 55.12 H new ATOM 0 HD2 ARG A 30 -17.082 -4.522 -5.524 1.00 31.12 H new ATOM 0 HD3 ARG A 30 -18.442 -3.616 -6.158 1.00 31.12 H new ATOM 0 HE ARG A 30 -16.664 -2.775 -7.915 1.00 43.51 H new ATOM 0 HH11 ARG A 30 -16.758 -6.018 -6.548 1.00 15.51 H new ATOM 0 HH12 ARG A 30 -16.040 -6.734 -7.995 1.00 15.51 H new ATOM 0 HH21 ARG A 30 -15.791 -3.720 -9.685 1.00 3.40 H new ATOM 0 HH22 ARG A 30 -15.507 -5.463 -9.726 1.00 3.40 H new ATOM 457 N LYS A 31 -15.613 -1.445 -1.806 1.00 64.55 N ATOM 458 CA LYS A 31 -16.469 -1.229 -0.606 1.00 23.04 C ATOM 459 C LYS A 31 -16.123 0.082 0.139 1.00 4.42 C ATOM 460 O LYS A 31 -17.017 0.744 0.682 1.00 5.33 O ATOM 461 CB LYS A 31 -16.386 -2.453 0.345 1.00 52.22 C ATOM 462 CG LYS A 31 -16.889 -3.763 -0.308 1.00 63.04 C ATOM 463 CD LYS A 31 -17.063 -4.932 0.689 1.00 72.23 C ATOM 464 CE LYS A 31 -15.756 -5.361 1.372 1.00 14.54 C ATOM 465 NZ LYS A 31 -15.942 -6.600 2.174 1.00 1.34 N ATOM 0 H LYS A 31 -14.889 -2.152 -1.675 1.00 64.55 H new ATOM 0 HA LYS A 31 -17.497 -1.125 -0.954 1.00 23.04 H new ATOM 0 HB2 LYS A 31 -15.353 -2.587 0.666 1.00 52.22 H new ATOM 0 HB3 LYS A 31 -16.974 -2.251 1.240 1.00 52.22 H new ATOM 0 HG2 LYS A 31 -17.844 -3.570 -0.797 1.00 63.04 H new ATOM 0 HG3 LYS A 31 -16.187 -4.063 -1.086 1.00 63.04 H new ATOM 0 HD2 LYS A 31 -17.784 -4.642 1.453 1.00 72.23 H new ATOM 0 HD3 LYS A 31 -17.485 -5.788 0.162 1.00 72.23 H new ATOM 0 HE2 LYS A 31 -14.987 -5.527 0.617 1.00 14.54 H new ATOM 0 HE3 LYS A 31 -15.401 -4.558 2.018 1.00 14.54 H new ATOM 0 HZ1 LYS A 31 -15.059 -6.824 2.676 1.00 1.34 H new ATOM 0 HZ2 LYS A 31 -16.706 -6.455 2.865 1.00 1.34 H new ATOM 0 HZ3 LYS A 31 -16.191 -7.388 1.543 1.00 1.34 H new ATOM 479 N VAL A 32 -14.826 0.453 0.164 1.00 4.04 N ATOM 480 CA VAL A 32 -14.384 1.771 0.692 1.00 74.25 C ATOM 481 C VAL A 32 -14.556 2.890 -0.377 1.00 3.24 C ATOM 482 O VAL A 32 -14.404 4.081 -0.077 1.00 62.34 O ATOM 483 CB VAL A 32 -12.895 1.724 1.214 1.00 5.50 C ATOM 484 CG1 VAL A 32 -12.714 0.635 2.306 1.00 33.14 C ATOM 485 CG2 VAL A 32 -11.883 1.527 0.058 1.00 62.21 C ATOM 0 H VAL A 32 -14.065 -0.136 -0.173 1.00 4.04 H new ATOM 0 HA VAL A 32 -15.024 2.007 1.542 1.00 74.25 H new ATOM 0 HB VAL A 32 -12.685 2.693 1.667 1.00 5.50 H new ATOM 0 HG11 VAL A 32 -11.678 0.628 2.645 1.00 33.14 H new ATOM 0 HG12 VAL A 32 -13.370 0.852 3.149 1.00 33.14 H new ATOM 0 HG13 VAL A 32 -12.967 -0.341 1.892 1.00 33.14 H new ATOM 0 HG21 VAL A 32 -10.871 1.500 0.461 1.00 62.21 H new ATOM 0 HG22 VAL A 32 -12.094 0.589 -0.455 1.00 62.21 H new ATOM 0 HG23 VAL A 32 -11.971 2.353 -0.647 1.00 62.21 H new ATOM 495 N ASN A 33 -14.862 2.466 -1.630 1.00 71.43 N ATOM 496 CA ASN A 33 -15.162 3.349 -2.794 1.00 52.42 C ATOM 497 C ASN A 33 -13.962 4.245 -3.208 1.00 40.11 C ATOM 498 O ASN A 33 -14.132 5.306 -3.826 1.00 12.20 O ATOM 499 CB ASN A 33 -16.456 4.176 -2.544 1.00 63.12 C ATOM 500 CG ASN A 33 -17.684 3.280 -2.359 1.00 11.15 C ATOM 501 OD1 ASN A 33 -18.344 2.908 -3.321 1.00 51.51 O ATOM 502 ND2 ASN A 33 -17.987 2.909 -1.128 1.00 64.22 N ATOM 0 H ASN A 33 -14.909 1.475 -1.868 1.00 71.43 H new ATOM 0 HA ASN A 33 -15.341 2.696 -3.648 1.00 52.42 H new ATOM 0 HB2 ASN A 33 -16.324 4.797 -1.658 1.00 63.12 H new ATOM 0 HB3 ASN A 33 -16.623 4.851 -3.384 1.00 63.12 H new ATOM 0 HD21 ASN A 33 -18.787 2.299 -0.962 1.00 64.22 H new ATOM 0 HD22 ASN A 33 -17.421 3.233 -0.344 1.00 64.22 H new ATOM 509 N LEU A 34 -12.741 3.774 -2.893 1.00 64.14 N ATOM 510 CA LEU A 34 -11.468 4.397 -3.326 1.00 74.23 C ATOM 511 C LEU A 34 -10.825 3.552 -4.460 1.00 32.42 C ATOM 512 O LEU A 34 -11.306 2.456 -4.782 1.00 35.51 O ATOM 513 CB LEU A 34 -10.499 4.503 -2.107 1.00 61.04 C ATOM 514 CG LEU A 34 -11.046 5.259 -0.846 1.00 23.54 C ATOM 515 CD1 LEU A 34 -10.052 5.168 0.339 1.00 21.54 C ATOM 516 CD2 LEU A 34 -11.398 6.731 -1.180 1.00 14.51 C ATOM 0 H LEU A 34 -12.605 2.939 -2.323 1.00 64.14 H new ATOM 0 HA LEU A 34 -11.664 5.398 -3.709 1.00 74.23 H new ATOM 0 HB2 LEU A 34 -10.218 3.494 -1.805 1.00 61.04 H new ATOM 0 HB3 LEU A 34 -9.588 5.003 -2.437 1.00 61.04 H new ATOM 0 HG LEU A 34 -11.968 4.765 -0.539 1.00 23.54 H new ATOM 0 HD11 LEU A 34 -10.460 5.702 1.198 1.00 21.54 H new ATOM 0 HD12 LEU A 34 -9.895 4.122 0.603 1.00 21.54 H new ATOM 0 HD13 LEU A 34 -9.101 5.616 0.051 1.00 21.54 H new ATOM 0 HD21 LEU A 34 -11.774 7.227 -0.285 1.00 14.51 H new ATOM 0 HD22 LEU A 34 -10.505 7.247 -1.533 1.00 14.51 H new ATOM 0 HD23 LEU A 34 -12.162 6.755 -1.957 1.00 14.51 H new ATOM 528 N SER A 35 -9.750 4.077 -5.083 1.00 63.34 N ATOM 529 CA SER A 35 -8.909 3.290 -6.038 1.00 20.52 C ATOM 530 C SER A 35 -8.136 2.175 -5.297 1.00 10.50 C ATOM 531 O SER A 35 -7.939 2.268 -4.084 1.00 20.22 O ATOM 532 CB SER A 35 -7.898 4.207 -6.768 1.00 44.24 C ATOM 533 OG SER A 35 -8.557 5.203 -7.531 1.00 42.22 O ATOM 0 H SER A 35 -9.436 5.038 -4.949 1.00 63.34 H new ATOM 0 HA SER A 35 -9.579 2.840 -6.770 1.00 20.52 H new ATOM 0 HB2 SER A 35 -7.242 4.681 -6.038 1.00 44.24 H new ATOM 0 HB3 SER A 35 -7.266 3.606 -7.421 1.00 44.24 H new ATOM 0 HG SER A 35 -7.891 5.766 -7.978 1.00 42.22 H new ATOM 539 N VAL A 36 -7.693 1.133 -6.034 1.00 43.34 N ATOM 540 CA VAL A 36 -6.869 0.023 -5.471 1.00 43.52 C ATOM 541 C VAL A 36 -5.639 0.550 -4.684 1.00 21.13 C ATOM 542 O VAL A 36 -5.478 0.244 -3.502 1.00 30.44 O ATOM 543 CB VAL A 36 -6.393 -0.959 -6.607 1.00 40.42 C ATOM 544 CG1 VAL A 36 -5.379 -2.026 -6.094 1.00 51.54 C ATOM 545 CG2 VAL A 36 -7.602 -1.612 -7.318 1.00 3.12 C ATOM 0 H VAL A 36 -7.891 1.031 -7.029 1.00 43.34 H new ATOM 0 HA VAL A 36 -7.508 -0.519 -4.774 1.00 43.52 H new ATOM 0 HB VAL A 36 -5.855 -0.359 -7.341 1.00 40.42 H new ATOM 0 HG11 VAL A 36 -5.085 -2.675 -6.919 1.00 51.54 H new ATOM 0 HG12 VAL A 36 -4.497 -1.527 -5.694 1.00 51.54 H new ATOM 0 HG13 VAL A 36 -5.845 -2.623 -5.310 1.00 51.54 H new ATOM 0 HG21 VAL A 36 -7.246 -2.285 -8.098 1.00 3.12 H new ATOM 0 HG22 VAL A 36 -8.190 -2.175 -6.593 1.00 3.12 H new ATOM 0 HG23 VAL A 36 -8.224 -0.836 -7.765 1.00 3.12 H new ATOM 555 N GLU A 37 -4.797 1.346 -5.360 1.00 34.30 N ATOM 556 CA GLU A 37 -3.581 1.939 -4.750 1.00 11.51 C ATOM 557 C GLU A 37 -3.899 2.977 -3.641 1.00 73.14 C ATOM 558 O GLU A 37 -3.117 3.113 -2.703 1.00 24.43 O ATOM 559 CB GLU A 37 -2.637 2.535 -5.826 1.00 55.35 C ATOM 560 CG GLU A 37 -2.091 1.494 -6.841 1.00 21.25 C ATOM 561 CD GLU A 37 -3.019 1.244 -8.044 1.00 31.23 C ATOM 562 OE1 GLU A 37 -3.048 2.077 -8.968 1.00 31.21 O ATOM 563 OE2 GLU A 37 -3.725 0.224 -8.071 1.00 1.21 O ATOM 0 H GLU A 37 -4.932 1.600 -6.339 1.00 34.30 H new ATOM 0 HA GLU A 37 -3.059 1.118 -4.259 1.00 11.51 H new ATOM 0 HB2 GLU A 37 -3.172 3.312 -6.372 1.00 55.35 H new ATOM 0 HB3 GLU A 37 -1.795 3.017 -5.328 1.00 55.35 H new ATOM 0 HG2 GLU A 37 -1.122 1.833 -7.207 1.00 21.25 H new ATOM 0 HG3 GLU A 37 -1.923 0.550 -6.323 1.00 21.25 H new ATOM 570 N SER A 38 -5.036 3.707 -3.748 1.00 12.23 N ATOM 571 CA SER A 38 -5.512 4.629 -2.661 1.00 2.15 C ATOM 572 C SER A 38 -5.804 3.844 -1.361 1.00 34.21 C ATOM 573 O SER A 38 -5.413 4.248 -0.258 1.00 63.04 O ATOM 574 CB SER A 38 -6.798 5.384 -3.096 1.00 62.12 C ATOM 575 OG SER A 38 -6.583 6.159 -4.260 1.00 74.53 O ATOM 0 H SER A 38 -5.644 3.683 -4.566 1.00 12.23 H new ATOM 0 HA SER A 38 -4.717 5.351 -2.476 1.00 2.15 H new ATOM 0 HB2 SER A 38 -7.597 4.666 -3.280 1.00 62.12 H new ATOM 0 HB3 SER A 38 -7.132 6.031 -2.285 1.00 62.12 H new ATOM 0 HG SER A 38 -7.413 6.618 -4.505 1.00 74.53 H new ATOM 581 N THR A 39 -6.486 2.705 -1.538 1.00 25.24 N ATOM 582 CA THR A 39 -6.884 1.790 -0.451 1.00 23.21 C ATOM 583 C THR A 39 -5.659 1.059 0.148 1.00 42.51 C ATOM 584 O THR A 39 -5.547 0.927 1.358 1.00 32.02 O ATOM 585 CB THR A 39 -7.922 0.747 -0.989 1.00 23.13 C ATOM 586 OG1 THR A 39 -9.050 1.441 -1.541 1.00 62.01 O ATOM 587 CG2 THR A 39 -8.409 -0.223 0.096 1.00 10.11 C ATOM 0 H THR A 39 -6.785 2.384 -2.459 1.00 25.24 H new ATOM 0 HA THR A 39 -7.340 2.383 0.342 1.00 23.21 H new ATOM 0 HB THR A 39 -7.417 0.154 -1.752 1.00 23.13 H new ATOM 0 HG1 THR A 39 -8.813 1.803 -2.420 1.00 62.01 H new ATOM 0 HG21 THR A 39 -9.126 -0.922 -0.336 1.00 10.11 H new ATOM 0 HG22 THR A 39 -7.560 -0.776 0.497 1.00 10.11 H new ATOM 0 HG23 THR A 39 -8.888 0.339 0.898 1.00 10.11 H new ATOM 595 N ALA A 40 -4.738 0.620 -0.730 1.00 34.43 N ATOM 596 CA ALA A 40 -3.515 -0.135 -0.344 1.00 64.35 C ATOM 597 C ALA A 40 -2.527 0.734 0.457 1.00 41.55 C ATOM 598 O ALA A 40 -1.921 0.288 1.427 1.00 22.13 O ATOM 599 CB ALA A 40 -2.830 -0.658 -1.607 1.00 52.41 C ATOM 0 H ALA A 40 -4.815 0.776 -1.735 1.00 34.43 H new ATOM 0 HA ALA A 40 -3.819 -0.962 0.297 1.00 64.35 H new ATOM 0 HB1 ALA A 40 -1.933 -1.212 -1.331 1.00 52.41 H new ATOM 0 HB2 ALA A 40 -3.512 -1.316 -2.145 1.00 52.41 H new ATOM 0 HB3 ALA A 40 -2.556 0.181 -2.246 1.00 52.41 H new ATOM 605 N LEU A 41 -2.374 1.974 0.006 1.00 52.03 N ATOM 606 CA LEU A 41 -1.539 2.998 0.661 1.00 74.34 C ATOM 607 C LEU A 41 -2.189 3.456 2.008 1.00 75.01 C ATOM 608 O LEU A 41 -1.487 3.836 2.953 1.00 64.33 O ATOM 609 CB LEU A 41 -1.305 4.128 -0.399 1.00 53.33 C ATOM 610 CG LEU A 41 -0.556 5.449 -0.012 1.00 30.43 C ATOM 611 CD1 LEU A 41 -1.537 6.512 0.504 1.00 44.52 C ATOM 612 CD2 LEU A 41 0.614 5.204 0.975 1.00 64.32 C ATOM 0 H LEU A 41 -2.832 2.311 -0.841 1.00 52.03 H new ATOM 0 HA LEU A 41 -0.562 2.623 0.966 1.00 74.34 H new ATOM 0 HB2 LEU A 41 -0.757 3.681 -1.228 1.00 53.33 H new ATOM 0 HB3 LEU A 41 -2.284 4.416 -0.782 1.00 53.33 H new ATOM 0 HG LEU A 41 -0.101 5.837 -0.924 1.00 30.43 H new ATOM 0 HD11 LEU A 41 -0.989 7.417 0.765 1.00 44.52 H new ATOM 0 HD12 LEU A 41 -2.267 6.741 -0.272 1.00 44.52 H new ATOM 0 HD13 LEU A 41 -2.053 6.133 1.387 1.00 44.52 H new ATOM 0 HD21 LEU A 41 1.097 6.153 1.209 1.00 64.32 H new ATOM 0 HD22 LEU A 41 0.229 4.757 1.892 1.00 64.32 H new ATOM 0 HD23 LEU A 41 1.339 4.530 0.519 1.00 64.32 H new ATOM 624 N ALA A 42 -3.530 3.364 2.103 1.00 3.22 N ATOM 625 CA ALA A 42 -4.263 3.552 3.384 1.00 13.13 C ATOM 626 C ALA A 42 -4.018 2.358 4.356 1.00 54.51 C ATOM 627 O ALA A 42 -3.882 2.556 5.567 1.00 35.42 O ATOM 628 CB ALA A 42 -5.759 3.750 3.110 1.00 70.53 C ATOM 0 H ALA A 42 -4.135 3.160 1.308 1.00 3.22 H new ATOM 0 HA ALA A 42 -3.881 4.448 3.873 1.00 13.13 H new ATOM 0 HB1 ALA A 42 -6.287 3.887 4.054 1.00 70.53 H new ATOM 0 HB2 ALA A 42 -5.901 4.631 2.484 1.00 70.53 H new ATOM 0 HB3 ALA A 42 -6.154 2.873 2.597 1.00 70.53 H new ATOM 634 N VAL A 43 -3.951 1.121 3.800 1.00 31.13 N ATOM 635 CA VAL A 43 -3.497 -0.089 4.545 1.00 74.52 C ATOM 636 C VAL A 43 -2.025 0.091 5.009 1.00 70.31 C ATOM 637 O VAL A 43 -1.637 -0.384 6.077 1.00 11.14 O ATOM 638 CB VAL A 43 -3.609 -1.407 3.668 1.00 75.33 C ATOM 639 CG1 VAL A 43 -3.088 -2.661 4.423 1.00 51.51 C ATOM 640 CG2 VAL A 43 -5.054 -1.646 3.173 1.00 40.43 C ATOM 0 H VAL A 43 -4.207 0.932 2.831 1.00 31.13 H new ATOM 0 HA VAL A 43 -4.153 -0.200 5.408 1.00 74.52 H new ATOM 0 HB VAL A 43 -2.970 -1.248 2.800 1.00 75.33 H new ATOM 0 HG11 VAL A 43 -3.185 -3.538 3.783 1.00 51.51 H new ATOM 0 HG12 VAL A 43 -2.040 -2.518 4.686 1.00 51.51 H new ATOM 0 HG13 VAL A 43 -3.673 -2.808 5.331 1.00 51.51 H new ATOM 0 HG21 VAL A 43 -5.088 -2.558 2.577 1.00 40.43 H new ATOM 0 HG22 VAL A 43 -5.720 -1.748 4.030 1.00 40.43 H new ATOM 0 HG23 VAL A 43 -5.374 -0.801 2.563 1.00 40.43 H new ATOM 650 N GLY A 44 -1.230 0.795 4.183 1.00 1.32 N ATOM 651 CA GLY A 44 0.166 1.122 4.498 1.00 73.34 C ATOM 652 C GLY A 44 0.325 2.086 5.687 1.00 12.34 C ATOM 653 O GLY A 44 1.287 1.970 6.460 1.00 40.23 O ATOM 0 H GLY A 44 -1.541 1.152 3.279 1.00 1.32 H new ATOM 0 HA2 GLY A 44 0.705 0.200 4.715 1.00 73.34 H new ATOM 0 HA3 GLY A 44 0.633 1.565 3.618 1.00 73.34 H new ATOM 657 N TRP A 45 -0.614 3.048 5.830 1.00 54.50 N ATOM 658 CA TRP A 45 -0.663 3.947 7.012 1.00 30.11 C ATOM 659 C TRP A 45 -1.044 3.144 8.280 1.00 34.32 C ATOM 660 O TRP A 45 -0.460 3.343 9.351 1.00 14.21 O ATOM 661 CB TRP A 45 -1.659 5.119 6.795 1.00 21.31 C ATOM 662 CG TRP A 45 -1.744 6.070 7.980 1.00 2.21 C ATOM 663 CD1 TRP A 45 -2.722 6.115 8.940 1.00 41.05 C ATOM 664 CD2 TRP A 45 -0.794 7.086 8.344 1.00 1.04 C ATOM 665 NE1 TRP A 45 -2.444 7.094 9.854 1.00 45.05 N ATOM 666 CE2 TRP A 45 -1.274 7.709 9.508 1.00 11.01 C ATOM 667 CE3 TRP A 45 0.409 7.542 7.784 1.00 24.44 C ATOM 668 CZ2 TRP A 45 -0.592 8.747 10.135 1.00 62.23 C ATOM 669 CZ3 TRP A 45 1.085 8.577 8.405 1.00 43.41 C ATOM 670 CH2 TRP A 45 0.577 9.175 9.567 1.00 71.24 C ATOM 0 H TRP A 45 -1.348 3.224 5.144 1.00 54.50 H new ATOM 0 HA TRP A 45 0.330 4.376 7.147 1.00 30.11 H new ATOM 0 HB2 TRP A 45 -1.360 5.680 5.910 1.00 21.31 H new ATOM 0 HB3 TRP A 45 -2.650 4.711 6.595 1.00 21.31 H new ATOM 0 HD1 TRP A 45 -3.588 5.470 8.970 1.00 41.05 H new ATOM 0 HE1 TRP A 45 -3.018 7.327 10.664 1.00 45.05 H new ATOM 0 HE3 TRP A 45 0.801 7.093 6.883 1.00 24.44 H new ATOM 0 HZ2 TRP A 45 -0.972 9.199 11.039 1.00 62.23 H new ATOM 0 HZ3 TRP A 45 2.017 8.929 7.989 1.00 43.41 H new ATOM 0 HH2 TRP A 45 1.119 9.990 10.023 1.00 71.24 H new ATOM 681 N LEU A 46 -2.019 2.226 8.133 1.00 14.12 N ATOM 682 CA LEU A 46 -2.405 1.281 9.203 1.00 14.34 C ATOM 683 C LEU A 46 -1.209 0.383 9.606 1.00 43.51 C ATOM 684 O LEU A 46 -1.026 0.086 10.780 1.00 72.24 O ATOM 685 CB LEU A 46 -3.614 0.419 8.752 1.00 51.31 C ATOM 686 CG LEU A 46 -4.966 1.180 8.557 1.00 20.43 C ATOM 687 CD1 LEU A 46 -6.063 0.266 7.962 1.00 51.52 C ATOM 688 CD2 LEU A 46 -5.436 1.819 9.883 1.00 11.24 C ATOM 0 H LEU A 46 -2.559 2.117 7.275 1.00 14.12 H new ATOM 0 HA LEU A 46 -2.700 1.858 10.079 1.00 14.34 H new ATOM 0 HB2 LEU A 46 -3.356 -0.069 7.812 1.00 51.31 H new ATOM 0 HB3 LEU A 46 -3.767 -0.370 9.489 1.00 51.31 H new ATOM 0 HG LEU A 46 -4.787 1.979 7.837 1.00 20.43 H new ATOM 0 HD11 LEU A 46 -6.985 0.835 7.843 1.00 51.52 H new ATOM 0 HD12 LEU A 46 -5.739 -0.107 6.990 1.00 51.52 H new ATOM 0 HD13 LEU A 46 -6.239 -0.575 8.633 1.00 51.52 H new ATOM 0 HD21 LEU A 46 -6.378 2.342 9.721 1.00 11.24 H new ATOM 0 HD22 LEU A 46 -5.578 1.040 10.632 1.00 11.24 H new ATOM 0 HD23 LEU A 46 -4.684 2.526 10.233 1.00 11.24 H new ATOM 700 N ALA A 47 -0.397 -0.032 8.610 1.00 1.21 N ATOM 701 CA ALA A 47 0.848 -0.807 8.834 1.00 53.40 C ATOM 702 C ALA A 47 1.861 -0.017 9.697 1.00 62.34 C ATOM 703 O ALA A 47 2.477 -0.582 10.601 1.00 54.42 O ATOM 704 CB ALA A 47 1.469 -1.225 7.486 1.00 0.45 C ATOM 0 H ALA A 47 -0.584 0.160 7.626 1.00 1.21 H new ATOM 0 HA ALA A 47 0.590 -1.709 9.388 1.00 53.40 H new ATOM 0 HB1 ALA A 47 2.382 -1.793 7.666 1.00 0.45 H new ATOM 0 HB2 ALA A 47 0.760 -1.843 6.935 1.00 0.45 H new ATOM 0 HB3 ALA A 47 1.705 -0.335 6.902 1.00 0.45 H new ATOM 710 N ARG A 48 2.003 1.298 9.426 1.00 62.31 N ATOM 711 CA ARG A 48 2.804 2.218 10.281 1.00 55.22 C ATOM 712 C ARG A 48 2.293 2.203 11.755 1.00 30.04 C ATOM 713 O ARG A 48 3.086 2.096 12.697 1.00 74.42 O ATOM 714 CB ARG A 48 2.762 3.666 9.704 1.00 15.01 C ATOM 715 CG ARG A 48 3.352 4.746 10.645 1.00 12.32 C ATOM 716 CD ARG A 48 3.306 6.170 10.064 1.00 64.13 C ATOM 717 NE ARG A 48 3.711 7.159 11.089 1.00 44.33 N ATOM 718 CZ ARG A 48 4.753 7.961 11.034 1.00 1.32 C ATOM 719 NH1 ARG A 48 5.458 8.098 9.949 1.00 32.21 N ATOM 720 NH2 ARG A 48 5.040 8.682 12.061 1.00 73.24 N ATOM 0 H ARG A 48 1.574 1.753 8.620 1.00 62.31 H new ATOM 0 HA ARG A 48 3.837 1.869 10.280 1.00 55.22 H new ATOM 0 HB2 ARG A 48 3.309 3.685 8.761 1.00 15.01 H new ATOM 0 HB3 ARG A 48 1.728 3.924 9.478 1.00 15.01 H new ATOM 0 HG2 ARG A 48 2.805 4.731 11.588 1.00 12.32 H new ATOM 0 HG3 ARG A 48 4.387 4.490 10.873 1.00 12.32 H new ATOM 0 HD2 ARG A 48 3.968 6.239 9.201 1.00 64.13 H new ATOM 0 HD3 ARG A 48 2.299 6.394 9.712 1.00 64.13 H new ATOM 0 HE ARG A 48 3.124 7.225 11.920 1.00 44.33 H new ATOM 0 HH11 ARG A 48 5.208 7.576 9.109 1.00 32.21 H new ATOM 0 HH12 ARG A 48 6.260 8.728 9.938 1.00 32.21 H new ATOM 0 HH21 ARG A 48 4.463 8.626 12.900 1.00 73.24 H new ATOM 0 HH22 ARG A 48 5.844 9.309 12.035 1.00 73.24 H new ATOM 734 N GLU A 49 0.961 2.266 11.926 1.00 75.33 N ATOM 735 CA GLU A 49 0.305 2.306 13.261 1.00 52.03 C ATOM 736 C GLU A 49 0.194 0.901 13.935 1.00 3.14 C ATOM 737 O GLU A 49 -0.269 0.807 15.081 1.00 45.23 O ATOM 738 CB GLU A 49 -1.114 2.900 13.115 1.00 20.12 C ATOM 739 CG GLU A 49 -1.218 4.276 12.433 1.00 73.14 C ATOM 740 CD GLU A 49 -2.687 4.694 12.203 1.00 71.42 C ATOM 741 OE1 GLU A 49 -3.422 3.931 11.536 1.00 52.15 O ATOM 742 OE2 GLU A 49 -3.116 5.768 12.681 1.00 72.11 O ATOM 0 H GLU A 49 0.302 2.291 11.148 1.00 75.33 H new ATOM 0 HA GLU A 49 0.932 2.926 13.902 1.00 52.03 H new ATOM 0 HB2 GLU A 49 -1.723 2.193 12.551 1.00 20.12 H new ATOM 0 HB3 GLU A 49 -1.555 2.978 14.109 1.00 20.12 H new ATOM 0 HG2 GLU A 49 -0.719 5.025 13.048 1.00 73.14 H new ATOM 0 HG3 GLU A 49 -0.694 4.248 11.477 1.00 73.14 H new ATOM 749 N ASN A 50 0.577 -0.169 13.195 1.00 35.45 N ATOM 750 CA ASN A 50 0.523 -1.595 13.650 1.00 64.25 C ATOM 751 C ASN A 50 -0.942 -2.115 13.808 1.00 21.20 C ATOM 752 O ASN A 50 -1.226 -3.010 14.614 1.00 22.42 O ATOM 753 CB ASN A 50 1.362 -1.817 14.953 1.00 41.24 C ATOM 754 CG ASN A 50 2.828 -1.391 14.811 1.00 74.22 C ATOM 755 OD1 ASN A 50 3.389 -1.384 13.721 1.00 61.32 O ATOM 756 ND2 ASN A 50 3.470 -1.049 15.908 1.00 71.21 N ATOM 0 H ASN A 50 0.940 -0.071 12.247 1.00 35.45 H new ATOM 0 HA ASN A 50 0.981 -2.193 12.862 1.00 64.25 H new ATOM 0 HB2 ASN A 50 0.906 -1.258 15.770 1.00 41.24 H new ATOM 0 HB3 ASN A 50 1.322 -2.871 15.227 1.00 41.24 H new ATOM 0 HD21 ASN A 50 4.451 -0.772 15.860 1.00 71.21 H new ATOM 0 HD22 ASN A 50 2.987 -1.061 16.806 1.00 71.21 H new ATOM 763 N LYS A 51 -1.844 -1.567 12.976 1.00 14.52 N ATOM 764 CA LYS A 51 -3.303 -1.838 13.006 1.00 70.13 C ATOM 765 C LYS A 51 -3.753 -2.939 12.002 1.00 12.14 C ATOM 766 O LYS A 51 -4.890 -3.419 12.094 1.00 1.40 O ATOM 767 CB LYS A 51 -4.057 -0.510 12.715 1.00 2.23 C ATOM 768 CG LYS A 51 -3.724 0.654 13.700 1.00 10.44 C ATOM 769 CD LYS A 51 -4.887 1.044 14.643 1.00 32.52 C ATOM 770 CE LYS A 51 -6.033 1.757 13.902 1.00 12.53 C ATOM 771 NZ LYS A 51 -5.595 3.034 13.268 1.00 64.22 N ATOM 0 H LYS A 51 -1.579 -0.907 12.245 1.00 14.52 H new ATOM 0 HA LYS A 51 -3.546 -2.221 13.997 1.00 70.13 H new ATOM 0 HB2 LYS A 51 -3.822 -0.189 11.700 1.00 2.23 H new ATOM 0 HB3 LYS A 51 -5.130 -0.701 12.748 1.00 2.23 H new ATOM 0 HG2 LYS A 51 -2.863 0.368 14.304 1.00 10.44 H new ATOM 0 HG3 LYS A 51 -3.431 1.531 13.122 1.00 10.44 H new ATOM 0 HD2 LYS A 51 -5.274 0.147 15.127 1.00 32.52 H new ATOM 0 HD3 LYS A 51 -4.509 1.694 15.432 1.00 32.52 H new ATOM 0 HE2 LYS A 51 -6.434 1.094 13.136 1.00 12.53 H new ATOM 0 HE3 LYS A 51 -6.843 1.962 14.603 1.00 12.53 H new ATOM 0 HZ1 LYS A 51 -6.429 3.565 12.945 1.00 64.22 H new ATOM 0 HZ2 LYS A 51 -5.069 3.603 13.961 1.00 64.22 H new ATOM 0 HZ3 LYS A 51 -4.981 2.825 12.455 1.00 64.22 H new ATOM 785 N VAL A 52 -2.882 -3.322 11.034 1.00 51.02 N ATOM 786 CA VAL A 52 -3.194 -4.396 10.040 1.00 75.31 C ATOM 787 C VAL A 52 -2.182 -5.562 10.101 1.00 62.12 C ATOM 788 O VAL A 52 -0.978 -5.356 10.271 1.00 32.11 O ATOM 789 CB VAL A 52 -3.273 -3.870 8.549 1.00 44.41 C ATOM 790 CG1 VAL A 52 -4.559 -3.053 8.303 1.00 35.23 C ATOM 791 CG2 VAL A 52 -2.016 -3.054 8.173 1.00 43.15 C ATOM 0 H VAL A 52 -1.958 -2.907 10.916 1.00 51.02 H new ATOM 0 HA VAL A 52 -4.182 -4.755 10.329 1.00 75.31 H new ATOM 0 HB VAL A 52 -3.309 -4.744 7.899 1.00 44.41 H new ATOM 0 HG11 VAL A 52 -4.579 -2.708 7.269 1.00 35.23 H new ATOM 0 HG12 VAL A 52 -5.430 -3.680 8.493 1.00 35.23 H new ATOM 0 HG13 VAL A 52 -4.577 -2.193 8.973 1.00 35.23 H new ATOM 0 HG21 VAL A 52 -2.102 -2.707 7.143 1.00 43.15 H new ATOM 0 HG22 VAL A 52 -1.927 -2.195 8.839 1.00 43.15 H new ATOM 0 HG23 VAL A 52 -1.131 -3.683 8.272 1.00 43.15 H new ATOM 801 N VAL A 53 -2.701 -6.788 9.942 1.00 14.13 N ATOM 802 CA VAL A 53 -1.902 -8.029 9.890 1.00 30.43 C ATOM 803 C VAL A 53 -1.874 -8.577 8.436 1.00 1.44 C ATOM 804 O VAL A 53 -2.886 -9.071 7.935 1.00 12.45 O ATOM 805 CB VAL A 53 -2.502 -9.101 10.882 1.00 53.42 C ATOM 806 CG1 VAL A 53 -1.761 -10.465 10.792 1.00 64.41 C ATOM 807 CG2 VAL A 53 -2.518 -8.555 12.341 1.00 72.54 C ATOM 0 H VAL A 53 -3.703 -6.952 9.844 1.00 14.13 H new ATOM 0 HA VAL A 53 -0.879 -7.812 10.198 1.00 30.43 H new ATOM 0 HB VAL A 53 -3.532 -9.286 10.577 1.00 53.42 H new ATOM 0 HG11 VAL A 53 -2.209 -11.170 11.493 1.00 64.41 H new ATOM 0 HG12 VAL A 53 -1.844 -10.858 9.779 1.00 64.41 H new ATOM 0 HG13 VAL A 53 -0.709 -10.325 11.042 1.00 64.41 H new ATOM 0 HG21 VAL A 53 -2.935 -9.310 13.007 1.00 72.54 H new ATOM 0 HG22 VAL A 53 -1.500 -8.319 12.652 1.00 72.54 H new ATOM 0 HG23 VAL A 53 -3.130 -7.654 12.386 1.00 72.54 H new ATOM 817 N ILE A 54 -0.717 -8.446 7.755 1.00 21.15 N ATOM 818 CA ILE A 54 -0.541 -8.905 6.353 1.00 41.24 C ATOM 819 C ILE A 54 -0.128 -10.403 6.332 1.00 62.45 C ATOM 820 O ILE A 54 0.864 -10.792 6.965 1.00 13.05 O ATOM 821 CB ILE A 54 0.533 -8.035 5.559 1.00 5.22 C ATOM 822 CG1 ILE A 54 0.107 -6.522 5.430 1.00 62.54 C ATOM 823 CG2 ILE A 54 0.819 -8.633 4.146 1.00 63.24 C ATOM 824 CD1 ILE A 54 0.159 -5.695 6.707 1.00 0.51 C ATOM 0 H ILE A 54 0.120 -8.022 8.155 1.00 21.15 H new ATOM 0 HA ILE A 54 -1.499 -8.778 5.849 1.00 41.24 H new ATOM 0 HB ILE A 54 1.449 -8.072 6.148 1.00 5.22 H new ATOM 0 HG12 ILE A 54 0.750 -6.048 4.689 1.00 62.54 H new ATOM 0 HG13 ILE A 54 -0.910 -6.485 5.040 1.00 62.54 H new ATOM 0 HG21 ILE A 54 1.555 -8.015 3.632 1.00 63.24 H new ATOM 0 HG22 ILE A 54 1.205 -9.647 4.251 1.00 63.24 H new ATOM 0 HG23 ILE A 54 -0.104 -8.655 3.567 1.00 63.24 H new ATOM 0 HD11 ILE A 54 -0.156 -4.674 6.492 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -0.508 -6.131 7.450 1.00 0.51 H new ATOM 0 HD13 ILE A 54 1.178 -5.687 7.094 1.00 0.51 H new ATOM 836 N GLU A 55 -0.901 -11.231 5.602 1.00 24.22 N ATOM 837 CA GLU A 55 -0.633 -12.678 5.441 1.00 63.21 C ATOM 838 C GLU A 55 -0.834 -13.076 3.952 1.00 30.20 C ATOM 839 O GLU A 55 -1.944 -12.970 3.417 1.00 22.34 O ATOM 840 CB GLU A 55 -1.570 -13.512 6.396 1.00 72.11 C ATOM 841 CG GLU A 55 -0.916 -14.741 7.090 1.00 24.11 C ATOM 842 CD GLU A 55 -0.576 -15.927 6.154 1.00 44.53 C ATOM 843 OE1 GLU A 55 0.410 -15.844 5.383 1.00 61.51 O ATOM 844 OE2 GLU A 55 -1.280 -16.962 6.196 1.00 31.52 O ATOM 0 H GLU A 55 -1.733 -10.915 5.104 1.00 24.22 H new ATOM 0 HA GLU A 55 0.398 -12.897 5.718 1.00 63.21 H new ATOM 0 HB2 GLU A 55 -1.954 -12.846 7.168 1.00 72.11 H new ATOM 0 HB3 GLU A 55 -2.427 -13.859 5.819 1.00 72.11 H new ATOM 0 HG2 GLU A 55 -0.000 -14.414 7.583 1.00 24.11 H new ATOM 0 HG3 GLU A 55 -1.588 -15.097 7.871 1.00 24.11 H new ATOM 851 N ARG A 56 0.255 -13.516 3.288 1.00 31.04 N ATOM 852 CA ARG A 56 0.210 -14.002 1.887 1.00 63.21 C ATOM 853 C ARG A 56 -0.286 -15.464 1.850 1.00 22.40 C ATOM 854 O ARG A 56 0.462 -16.397 2.166 1.00 53.24 O ATOM 855 CB ARG A 56 1.608 -13.896 1.209 1.00 50.42 C ATOM 856 CG ARG A 56 2.017 -12.479 0.736 1.00 3.42 C ATOM 857 CD ARG A 56 3.451 -12.467 0.158 1.00 13.43 C ATOM 858 NE ARG A 56 3.749 -11.272 -0.663 1.00 64.04 N ATOM 859 CZ ARG A 56 4.936 -10.972 -1.146 1.00 52.14 C ATOM 860 NH1 ARG A 56 6.003 -11.595 -0.745 1.00 2.12 N ATOM 861 NH2 ARG A 56 5.053 -10.014 -2.002 1.00 60.33 N ATOM 0 H ARG A 56 1.187 -13.546 3.702 1.00 31.04 H new ATOM 0 HA ARG A 56 -0.484 -13.371 1.332 1.00 63.21 H new ATOM 0 HB2 ARG A 56 2.360 -14.257 1.911 1.00 50.42 H new ATOM 0 HB3 ARG A 56 1.627 -14.566 0.349 1.00 50.42 H new ATOM 0 HG2 ARG A 56 1.315 -12.130 -0.022 1.00 3.42 H new ATOM 0 HG3 ARG A 56 1.955 -11.783 1.572 1.00 3.42 H new ATOM 0 HD2 ARG A 56 4.165 -12.520 0.980 1.00 13.43 H new ATOM 0 HD3 ARG A 56 3.596 -13.360 -0.449 1.00 13.43 H new ATOM 0 HE ARG A 56 2.979 -10.635 -0.869 1.00 64.04 H new ATOM 0 HH11 ARG A 56 5.930 -12.332 -0.043 1.00 2.12 H new ATOM 0 HH12 ARG A 56 6.914 -11.348 -1.132 1.00 2.12 H new ATOM 0 HH21 ARG A 56 4.228 -9.494 -2.301 1.00 60.33 H new ATOM 0 HH22 ARG A 56 5.970 -9.777 -2.380 1.00 60.33 H new ATOM 875 N LYS A 57 -1.560 -15.650 1.479 1.00 60.24 N ATOM 876 CA LYS A 57 -2.205 -16.977 1.417 1.00 14.34 C ATOM 877 C LYS A 57 -2.526 -17.348 -0.045 1.00 4.12 C ATOM 878 O LYS A 57 -3.207 -16.582 -0.736 1.00 72.44 O ATOM 879 CB LYS A 57 -3.503 -16.967 2.266 1.00 14.33 C ATOM 880 CG LYS A 57 -3.325 -16.362 3.675 1.00 61.20 C ATOM 881 CD LYS A 57 -4.550 -16.552 4.590 1.00 43.35 C ATOM 882 CE LYS A 57 -4.785 -18.022 4.985 1.00 23.21 C ATOM 883 NZ LYS A 57 -3.657 -18.567 5.783 1.00 65.22 N ATOM 0 H LYS A 57 -2.178 -14.884 1.212 1.00 60.24 H new ATOM 0 HA LYS A 57 -1.521 -17.724 1.820 1.00 14.34 H new ATOM 0 HB2 LYS A 57 -4.269 -16.403 1.734 1.00 14.33 H new ATOM 0 HB3 LYS A 57 -3.869 -17.989 2.364 1.00 14.33 H new ATOM 0 HG2 LYS A 57 -2.455 -16.817 4.149 1.00 61.20 H new ATOM 0 HG3 LYS A 57 -3.116 -15.297 3.579 1.00 61.20 H new ATOM 0 HD2 LYS A 57 -4.418 -15.956 5.493 1.00 43.35 H new ATOM 0 HD3 LYS A 57 -5.437 -16.171 4.084 1.00 43.35 H new ATOM 0 HE2 LYS A 57 -5.708 -18.101 5.560 1.00 23.21 H new ATOM 0 HE3 LYS A 57 -4.917 -18.623 4.085 1.00 23.21 H new ATOM 0 HZ1 LYS A 57 -3.219 -19.358 5.269 1.00 65.22 H new ATOM 0 HZ2 LYS A 57 -2.950 -17.821 5.939 1.00 65.22 H new ATOM 0 HZ3 LYS A 57 -4.012 -18.904 6.700 1.00 65.22 H new ATOM 897 N ASN A 58 -2.032 -18.529 -0.500 1.00 3.43 N ATOM 898 CA ASN A 58 -2.239 -19.047 -1.887 1.00 11.20 C ATOM 899 C ASN A 58 -1.697 -18.064 -2.967 1.00 11.13 C ATOM 900 O ASN A 58 -2.207 -18.005 -4.092 1.00 22.12 O ATOM 901 CB ASN A 58 -3.750 -19.365 -2.114 1.00 41.31 C ATOM 902 CG ASN A 58 -4.323 -20.348 -1.085 1.00 74.52 C ATOM 903 OD1 ASN A 58 -3.644 -21.260 -0.623 1.00 40.31 O ATOM 904 ND2 ASN A 58 -5.567 -20.151 -0.689 1.00 10.00 N ATOM 0 H ASN A 58 -1.476 -19.154 0.084 1.00 3.43 H new ATOM 0 HA ASN A 58 -1.666 -19.968 -1.993 1.00 11.20 H new ATOM 0 HB2 ASN A 58 -4.320 -18.436 -2.076 1.00 41.31 H new ATOM 0 HB3 ASN A 58 -3.881 -19.779 -3.114 1.00 41.31 H new ATOM 0 HD21 ASN A 58 -5.981 -20.763 0.014 1.00 10.00 H new ATOM 0 HD22 ASN A 58 -6.114 -19.387 -1.086 1.00 10.00 H new ATOM 911 N GLY A 59 -0.627 -17.322 -2.610 1.00 22.33 N ATOM 912 CA GLY A 59 -0.052 -16.274 -3.479 1.00 53.32 C ATOM 913 C GLY A 59 -0.714 -14.888 -3.315 1.00 3.33 C ATOM 914 O GLY A 59 -0.090 -13.857 -3.596 1.00 71.11 O ATOM 0 H GLY A 59 -0.141 -17.431 -1.720 1.00 22.33 H new ATOM 0 HA2 GLY A 59 1.013 -16.184 -3.266 1.00 53.32 H new ATOM 0 HA3 GLY A 59 -0.144 -16.588 -4.519 1.00 53.32 H new ATOM 918 N LEU A 60 -1.986 -14.870 -2.863 1.00 53.43 N ATOM 919 CA LEU A 60 -2.783 -13.632 -2.684 1.00 72.34 C ATOM 920 C LEU A 60 -2.414 -12.885 -1.375 1.00 12.22 C ATOM 921 O LEU A 60 -2.079 -13.510 -0.369 1.00 4.23 O ATOM 922 CB LEU A 60 -4.304 -13.975 -2.680 1.00 74.32 C ATOM 923 CG LEU A 60 -4.867 -14.691 -3.957 1.00 3.14 C ATOM 924 CD1 LEU A 60 -6.396 -14.907 -3.845 1.00 72.45 C ATOM 925 CD2 LEU A 60 -4.498 -13.927 -5.254 1.00 2.31 C ATOM 0 H LEU A 60 -2.494 -15.717 -2.610 1.00 53.43 H new ATOM 0 HA LEU A 60 -2.552 -12.972 -3.520 1.00 72.34 H new ATOM 0 HB2 LEU A 60 -4.508 -14.609 -1.817 1.00 74.32 H new ATOM 0 HB3 LEU A 60 -4.861 -13.050 -2.535 1.00 74.32 H new ATOM 0 HG LEU A 60 -4.394 -15.671 -4.017 1.00 3.14 H new ATOM 0 HD11 LEU A 60 -6.760 -15.405 -4.744 1.00 72.45 H new ATOM 0 HD12 LEU A 60 -6.613 -15.525 -2.974 1.00 72.45 H new ATOM 0 HD13 LEU A 60 -6.893 -13.943 -3.738 1.00 72.45 H new ATOM 0 HD21 LEU A 60 -4.906 -14.455 -6.116 1.00 2.31 H new ATOM 0 HD22 LEU A 60 -4.914 -12.920 -5.214 1.00 2.31 H new ATOM 0 HD23 LEU A 60 -3.413 -13.868 -5.345 1.00 2.31 H new ATOM 937 N ILE A 61 -2.481 -11.538 -1.409 1.00 3.40 N ATOM 938 CA ILE A 61 -2.242 -10.681 -0.223 1.00 55.05 C ATOM 939 C ILE A 61 -3.577 -10.488 0.544 1.00 23.15 C ATOM 940 O ILE A 61 -4.480 -9.782 0.068 1.00 5.21 O ATOM 941 CB ILE A 61 -1.624 -9.258 -0.598 1.00 44.34 C ATOM 942 CG1 ILE A 61 -0.236 -9.381 -1.339 1.00 42.44 C ATOM 943 CG2 ILE A 61 -1.481 -8.353 0.666 1.00 71.25 C ATOM 944 CD1 ILE A 61 -0.295 -9.835 -2.792 1.00 62.41 C ATOM 0 H ILE A 61 -2.701 -11.013 -2.255 1.00 3.40 H new ATOM 0 HA ILE A 61 -1.508 -11.188 0.403 1.00 55.05 H new ATOM 0 HB ILE A 61 -2.325 -8.790 -1.289 1.00 44.34 H new ATOM 0 HG12 ILE A 61 0.261 -8.412 -1.301 1.00 42.44 H new ATOM 0 HG13 ILE A 61 0.389 -10.081 -0.785 1.00 42.44 H new ATOM 0 HG21 ILE A 61 -1.057 -7.391 0.378 1.00 71.25 H new ATOM 0 HG22 ILE A 61 -2.462 -8.198 1.115 1.00 71.25 H new ATOM 0 HG23 ILE A 61 -0.824 -8.838 1.388 1.00 71.25 H new ATOM 0 HD11 ILE A 61 0.715 -9.884 -3.199 1.00 62.41 H new ATOM 0 HD12 ILE A 61 -0.756 -10.821 -2.847 1.00 62.41 H new ATOM 0 HD13 ILE A 61 -0.886 -9.125 -3.371 1.00 62.41 H new ATOM 956 N GLU A 62 -3.706 -11.136 1.713 1.00 4.50 N ATOM 957 CA GLU A 62 -4.883 -10.984 2.599 1.00 54.32 C ATOM 958 C GLU A 62 -4.503 -10.137 3.827 1.00 23.35 C ATOM 959 O GLU A 62 -3.607 -10.502 4.591 1.00 60.22 O ATOM 960 CB GLU A 62 -5.429 -12.369 3.043 1.00 63.00 C ATOM 961 CG GLU A 62 -6.162 -13.156 1.931 1.00 14.34 C ATOM 962 CD GLU A 62 -6.798 -14.473 2.423 1.00 21.10 C ATOM 963 OE1 GLU A 62 -7.484 -14.464 3.473 1.00 22.34 O ATOM 964 OE2 GLU A 62 -6.612 -15.522 1.772 1.00 64.52 O ATOM 0 H GLU A 62 -3.002 -11.780 2.074 1.00 4.50 H new ATOM 0 HA GLU A 62 -5.672 -10.476 2.044 1.00 54.32 H new ATOM 0 HB2 GLU A 62 -4.599 -12.972 3.410 1.00 63.00 H new ATOM 0 HB3 GLU A 62 -6.113 -12.225 3.880 1.00 63.00 H new ATOM 0 HG2 GLU A 62 -6.940 -12.524 1.503 1.00 14.34 H new ATOM 0 HG3 GLU A 62 -5.457 -13.380 1.131 1.00 14.34 H new ATOM 971 N ILE A 63 -5.188 -9.000 4.007 1.00 61.50 N ATOM 972 CA ILE A 63 -4.967 -8.095 5.147 1.00 71.12 C ATOM 973 C ILE A 63 -6.059 -8.290 6.233 1.00 53.04 C ATOM 974 O ILE A 63 -7.239 -8.493 5.931 1.00 25.15 O ATOM 975 CB ILE A 63 -4.814 -6.585 4.657 1.00 25.34 C ATOM 976 CG1 ILE A 63 -5.922 -6.134 3.624 1.00 63.22 C ATOM 977 CG2 ILE A 63 -3.404 -6.374 4.042 1.00 5.44 C ATOM 978 CD1 ILE A 63 -7.279 -5.806 4.208 1.00 10.12 C ATOM 0 H ILE A 63 -5.913 -8.679 3.365 1.00 61.50 H new ATOM 0 HA ILE A 63 -4.021 -8.353 5.624 1.00 71.12 H new ATOM 0 HB ILE A 63 -4.946 -5.960 5.540 1.00 25.34 H new ATOM 0 HG12 ILE A 63 -5.557 -5.257 3.090 1.00 63.22 H new ATOM 0 HG13 ILE A 63 -6.048 -6.927 2.887 1.00 63.22 H new ATOM 0 HG21 ILE A 63 -3.303 -5.341 3.708 1.00 5.44 H new ATOM 0 HG22 ILE A 63 -2.644 -6.588 4.793 1.00 5.44 H new ATOM 0 HG23 ILE A 63 -3.274 -7.044 3.192 1.00 5.44 H new ATOM 0 HD11 ILE A 63 -7.957 -5.510 3.408 1.00 10.12 H new ATOM 0 HD12 ILE A 63 -7.678 -6.684 4.716 1.00 10.12 H new ATOM 0 HD13 ILE A 63 -7.180 -4.988 4.921 1.00 10.12 H new ATOM 990 N TYR A 64 -5.621 -8.283 7.498 1.00 22.45 N ATOM 991 CA TYR A 64 -6.473 -8.546 8.681 1.00 32.11 C ATOM 992 C TYR A 64 -6.418 -7.350 9.653 1.00 4.51 C ATOM 993 O TYR A 64 -5.662 -6.401 9.436 1.00 34.04 O ATOM 994 CB TYR A 64 -5.998 -9.837 9.413 1.00 63.40 C ATOM 995 CG TYR A 64 -6.092 -11.131 8.579 1.00 23.42 C ATOM 996 CD1 TYR A 64 -5.061 -11.519 7.715 1.00 25.24 C ATOM 997 CD2 TYR A 64 -7.206 -11.968 8.666 1.00 55.41 C ATOM 998 CE1 TYR A 64 -5.155 -12.673 6.962 1.00 21.53 C ATOM 999 CE2 TYR A 64 -7.297 -13.126 7.918 1.00 20.11 C ATOM 1000 CZ TYR A 64 -6.267 -13.477 7.076 1.00 72.32 C ATOM 1001 OH TYR A 64 -6.374 -14.616 6.315 1.00 30.03 O ATOM 0 H TYR A 64 -4.649 -8.092 7.740 1.00 22.45 H new ATOM 0 HA TYR A 64 -7.500 -8.686 8.343 1.00 32.11 H new ATOM 0 HB2 TYR A 64 -4.963 -9.699 9.727 1.00 63.40 H new ATOM 0 HB3 TYR A 64 -6.591 -9.962 10.319 1.00 63.40 H new ATOM 0 HD1 TYR A 64 -4.176 -10.905 7.636 1.00 25.24 H new ATOM 0 HD2 TYR A 64 -8.014 -11.705 9.332 1.00 55.41 H new ATOM 0 HE1 TYR A 64 -4.358 -12.944 6.285 1.00 21.53 H new ATOM 0 HE2 TYR A 64 -8.173 -13.753 7.994 1.00 20.11 H new ATOM 0 HH TYR A 64 -6.761 -14.392 5.443 1.00 30.03 H new ATOM 1011 N ASN A 65 -7.231 -7.401 10.715 1.00 21.13 N ATOM 1012 CA ASN A 65 -7.211 -6.386 11.793 1.00 42.42 C ATOM 1013 C ASN A 65 -6.232 -6.785 12.928 1.00 1.20 C ATOM 1014 O ASN A 65 -5.887 -7.971 13.089 1.00 41.43 O ATOM 1015 CB ASN A 65 -8.649 -6.203 12.349 1.00 64.20 C ATOM 1016 CG ASN A 65 -8.817 -4.994 13.268 1.00 42.24 C ATOM 1017 OD1 ASN A 65 -8.084 -4.025 13.171 1.00 44.41 O ATOM 1018 ND2 ASN A 65 -9.795 -5.032 14.146 1.00 30.33 N ATOM 0 H ASN A 65 -7.920 -8.140 10.858 1.00 21.13 H new ATOM 0 HA ASN A 65 -6.858 -5.442 11.379 1.00 42.42 H new ATOM 0 HB2 ASN A 65 -9.341 -6.108 11.512 1.00 64.20 H new ATOM 0 HB3 ASN A 65 -8.932 -7.103 12.895 1.00 64.20 H new ATOM 0 HD21 ASN A 65 -9.955 -4.238 14.766 1.00 30.33 H new ATOM 0 HD22 ASN A 65 -10.394 -5.855 14.207 1.00 30.33 H new ATOM 1025 N GLU A 66 -5.790 -5.774 13.708 1.00 0.00 N ATOM 1026 CA GLU A 66 -4.963 -5.965 14.920 1.00 43.13 C ATOM 1027 C GLU A 66 -5.675 -6.847 15.983 1.00 72.00 C ATOM 1028 O GLU A 66 -6.911 -6.936 16.033 1.00 25.10 O ATOM 1029 CB GLU A 66 -4.526 -4.577 15.503 1.00 35.14 C ATOM 1030 CG GLU A 66 -5.652 -3.504 15.645 1.00 74.53 C ATOM 1031 CD GLU A 66 -6.659 -3.761 16.786 1.00 74.22 C ATOM 1032 OE1 GLU A 66 -6.238 -3.754 17.965 1.00 30.35 O ATOM 1033 OE2 GLU A 66 -7.866 -3.962 16.518 1.00 0.41 O ATOM 0 H GLU A 66 -5.999 -4.795 13.513 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.064 -6.509 14.632 1.00 43.13 H new ATOM 0 HB2 GLU A 66 -4.084 -4.742 16.486 1.00 35.14 H new ATOM 0 HB3 GLU A 66 -3.742 -4.169 14.865 1.00 35.14 H new ATOM 0 HG2 GLU A 66 -5.187 -2.531 15.803 1.00 74.53 H new ATOM 0 HG3 GLU A 66 -6.199 -3.447 14.704 1.00 74.53 H new ATOM 1327 N LYS B 3 4.694 -9.675 9.329 1.00 2.35 N ATOM 1328 CA LYS B 3 4.626 -8.315 8.769 1.00 72.24 C ATOM 1329 C LYS B 3 6.009 -7.884 8.191 1.00 33.42 C ATOM 1330 O LYS B 3 6.081 -7.031 7.310 1.00 10.34 O ATOM 1331 CB LYS B 3 4.195 -7.347 9.893 1.00 63.15 C ATOM 1332 CG LYS B 3 4.028 -5.873 9.465 1.00 42.14 C ATOM 1333 CD LYS B 3 4.024 -4.925 10.673 1.00 52.13 C ATOM 1334 CE LYS B 3 3.864 -3.457 10.268 1.00 65.14 C ATOM 1335 NZ LYS B 3 4.113 -2.563 11.416 1.00 4.10 N ATOM 0 HA LYS B 3 3.903 -8.292 7.954 1.00 72.24 H new ATOM 0 HB2 LYS B 3 3.250 -7.697 10.309 1.00 63.15 H new ATOM 0 HB3 LYS B 3 4.933 -7.394 10.694 1.00 63.15 H new ATOM 0 HG2 LYS B 3 4.837 -5.597 8.789 1.00 42.14 H new ATOM 0 HG3 LYS B 3 3.097 -5.759 8.910 1.00 42.14 H new ATOM 0 HD2 LYS B 3 3.213 -5.203 11.346 1.00 52.13 H new ATOM 0 HD3 LYS B 3 4.954 -5.046 11.228 1.00 52.13 H new ATOM 0 HE2 LYS B 3 4.558 -3.221 9.461 1.00 65.14 H new ATOM 0 HE3 LYS B 3 2.858 -3.289 9.883 1.00 65.14 H new ATOM 0 HZ1 LYS B 3 3.836 -1.592 11.166 1.00 4.10 H new ATOM 0 HZ2 LYS B 3 3.555 -2.883 12.233 1.00 4.10 H new ATOM 0 HZ3 LYS B 3 5.124 -2.583 11.659 1.00 4.10 H new ATOM 1349 N LYS B 4 7.099 -8.518 8.694 1.00 15.50 N ATOM 1350 CA LYS B 4 8.508 -8.239 8.273 1.00 32.20 C ATOM 1351 C LYS B 4 8.726 -8.397 6.744 1.00 62.54 C ATOM 1352 O LYS B 4 9.655 -7.802 6.175 1.00 63.43 O ATOM 1353 CB LYS B 4 9.480 -9.182 9.029 1.00 10.32 C ATOM 1354 CG LYS B 4 9.340 -9.150 10.565 1.00 4.35 C ATOM 1355 CD LYS B 4 10.362 -10.070 11.275 1.00 42.23 C ATOM 1356 CE LYS B 4 10.153 -10.118 12.798 1.00 1.33 C ATOM 1357 NZ LYS B 4 8.834 -10.698 13.169 1.00 43.24 N ATOM 0 H LYS B 4 7.031 -9.243 9.408 1.00 15.50 H new ATOM 0 HA LYS B 4 8.710 -7.198 8.524 1.00 32.20 H new ATOM 0 HB2 LYS B 4 9.317 -10.203 8.684 1.00 10.32 H new ATOM 0 HB3 LYS B 4 10.503 -8.915 8.765 1.00 10.32 H new ATOM 0 HG2 LYS B 4 9.472 -8.127 10.917 1.00 4.35 H new ATOM 0 HG3 LYS B 4 8.330 -9.454 10.841 1.00 4.35 H new ATOM 0 HD2 LYS B 4 10.282 -11.078 10.869 1.00 42.23 H new ATOM 0 HD3 LYS B 4 11.372 -9.719 11.061 1.00 42.23 H new ATOM 0 HE2 LYS B 4 10.948 -10.709 13.253 1.00 1.33 H new ATOM 0 HE3 LYS B 4 10.232 -9.110 13.205 1.00 1.33 H new ATOM 0 HZ1 LYS B 4 8.811 -10.883 14.192 1.00 43.24 H new ATOM 0 HZ2 LYS B 4 8.078 -10.028 12.921 1.00 43.24 H new ATOM 0 HZ3 LYS B 4 8.689 -11.589 12.653 1.00 43.24 H new ATOM 1371 N ILE B 5 7.861 -9.210 6.104 1.00 34.24 N ATOM 1372 CA ILE B 5 7.837 -9.402 4.637 1.00 71.43 C ATOM 1373 C ILE B 5 7.678 -8.043 3.890 1.00 32.52 C ATOM 1374 O ILE B 5 8.409 -7.774 2.930 1.00 60.24 O ATOM 1375 CB ILE B 5 6.678 -10.400 4.230 1.00 63.24 C ATOM 1376 CG1 ILE B 5 6.845 -11.770 4.982 1.00 63.12 C ATOM 1377 CG2 ILE B 5 6.613 -10.620 2.692 1.00 10.35 C ATOM 1378 CD1 ILE B 5 5.707 -12.768 4.776 1.00 50.14 C ATOM 0 H ILE B 5 7.153 -9.757 6.594 1.00 34.24 H new ATOM 0 HA ILE B 5 8.792 -9.835 4.339 1.00 71.43 H new ATOM 0 HB ILE B 5 5.733 -9.946 4.530 1.00 63.24 H new ATOM 0 HG12 ILE B 5 7.777 -12.233 4.657 1.00 63.12 H new ATOM 0 HG13 ILE B 5 6.943 -11.571 6.049 1.00 63.12 H new ATOM 0 HG21 ILE B 5 5.804 -11.311 2.457 1.00 10.35 H new ATOM 0 HG22 ILE B 5 6.431 -9.667 2.195 1.00 10.35 H new ATOM 0 HG23 ILE B 5 7.558 -11.036 2.344 1.00 10.35 H new ATOM 0 HD11 ILE B 5 5.917 -13.680 5.335 1.00 50.14 H new ATOM 0 HD12 ILE B 5 4.772 -12.332 5.129 1.00 50.14 H new ATOM 0 HD13 ILE B 5 5.619 -13.005 3.716 1.00 50.14 H new ATOM 1390 N VAL B 6 6.758 -7.170 4.383 1.00 23.25 N ATOM 1391 CA VAL B 6 6.511 -5.829 3.773 1.00 43.04 C ATOM 1392 C VAL B 6 7.779 -4.941 3.824 1.00 22.04 C ATOM 1393 O VAL B 6 7.982 -4.116 2.948 1.00 12.23 O ATOM 1394 CB VAL B 6 5.290 -5.050 4.431 1.00 24.01 C ATOM 1395 CG1 VAL B 6 4.079 -5.987 4.649 1.00 34.22 C ATOM 1396 CG2 VAL B 6 5.669 -4.308 5.750 1.00 41.51 C ATOM 0 H VAL B 6 6.176 -7.367 5.197 1.00 23.25 H new ATOM 0 HA VAL B 6 6.248 -6.030 2.734 1.00 43.04 H new ATOM 0 HB VAL B 6 5.006 -4.277 3.717 1.00 24.01 H new ATOM 0 HG11 VAL B 6 3.261 -5.425 5.100 1.00 34.22 H new ATOM 0 HG12 VAL B 6 3.756 -6.393 3.690 1.00 34.22 H new ATOM 0 HG13 VAL B 6 4.366 -6.804 5.311 1.00 34.22 H new ATOM 0 HG21 VAL B 6 4.791 -3.798 6.146 1.00 41.51 H new ATOM 0 HG22 VAL B 6 6.030 -5.030 6.483 1.00 41.51 H new ATOM 0 HG23 VAL B 6 6.451 -3.577 5.545 1.00 41.51 H new ATOM 1406 N GLY B 7 8.625 -5.154 4.861 1.00 23.33 N ATOM 1407 CA GLY B 7 9.884 -4.410 5.033 1.00 1.23 C ATOM 1408 C GLY B 7 10.922 -4.711 3.947 1.00 11.43 C ATOM 1409 O GLY B 7 11.565 -3.797 3.414 1.00 71.13 O ATOM 0 H GLY B 7 8.450 -5.842 5.593 1.00 23.33 H new ATOM 0 HA2 GLY B 7 9.669 -3.341 5.033 1.00 1.23 H new ATOM 0 HA3 GLY B 7 10.309 -4.650 6.008 1.00 1.23 H new ATOM 1413 N ALA B 8 11.057 -6.008 3.614 1.00 24.23 N ATOM 1414 CA ALA B 8 11.954 -6.490 2.538 1.00 70.44 C ATOM 1415 C ALA B 8 11.486 -6.008 1.136 1.00 73.51 C ATOM 1416 O ALA B 8 12.306 -5.657 0.274 1.00 12.20 O ATOM 1417 CB ALA B 8 12.032 -8.026 2.587 1.00 51.13 C ATOM 0 H ALA B 8 10.547 -6.757 4.083 1.00 24.23 H new ATOM 0 HA ALA B 8 12.946 -6.070 2.704 1.00 70.44 H new ATOM 0 HB1 ALA B 8 12.692 -8.382 1.796 1.00 51.13 H new ATOM 0 HB2 ALA B 8 12.424 -8.340 3.555 1.00 51.13 H new ATOM 0 HB3 ALA B 8 11.036 -8.446 2.445 1.00 51.13 H new ATOM 1423 N ASN B 9 10.155 -5.986 0.926 1.00 74.10 N ATOM 1424 CA ASN B 9 9.540 -5.496 -0.332 1.00 24.21 C ATOM 1425 C ASN B 9 9.467 -3.947 -0.381 1.00 52.22 C ATOM 1426 O ASN B 9 9.356 -3.364 -1.465 1.00 45.25 O ATOM 1427 CB ASN B 9 8.138 -6.126 -0.531 1.00 4.12 C ATOM 1428 CG ASN B 9 8.202 -7.650 -0.691 1.00 3.33 C ATOM 1429 OD1 ASN B 9 8.584 -8.153 -1.734 1.00 1.11 O ATOM 1430 ND2 ASN B 9 7.801 -8.396 0.318 1.00 71.32 N ATOM 0 H ASN B 9 9.476 -6.305 1.617 1.00 74.10 H new ATOM 0 HA ASN B 9 10.182 -5.809 -1.155 1.00 24.21 H new ATOM 0 HB2 ASN B 9 7.507 -5.879 0.322 1.00 4.12 H new ATOM 0 HB3 ASN B 9 7.668 -5.690 -1.412 1.00 4.12 H new ATOM 0 HD21 ASN B 9 7.807 -9.413 0.235 1.00 71.32 H new ATOM 0 HD22 ASN B 9 7.485 -7.957 1.183 1.00 71.32 H new ATOM 1437 N ALA B 10 9.559 -3.292 0.797 1.00 74.34 N ATOM 1438 CA ALA B 10 9.596 -1.812 0.906 1.00 61.44 C ATOM 1439 C ALA B 10 10.981 -1.266 0.523 1.00 62.14 C ATOM 1440 O ALA B 10 11.099 -0.229 -0.139 1.00 51.12 O ATOM 1441 CB ALA B 10 9.228 -1.371 2.325 1.00 41.12 C ATOM 0 H ALA B 10 9.610 -3.769 1.697 1.00 74.34 H new ATOM 0 HA ALA B 10 8.863 -1.404 0.209 1.00 61.44 H new ATOM 0 HB1 ALA B 10 9.260 -0.283 2.388 1.00 41.12 H new ATOM 0 HB2 ALA B 10 8.223 -1.719 2.565 1.00 41.12 H new ATOM 0 HB3 ALA B 10 9.938 -1.796 3.034 1.00 41.12 H new ATOM 1447 N GLY B 11 12.028 -1.994 0.952 1.00 54.20 N ATOM 1448 CA GLY B 11 13.405 -1.706 0.535 1.00 1.30 C ATOM 1449 C GLY B 11 13.597 -1.833 -0.981 1.00 73.01 C ATOM 1450 O GLY B 11 14.406 -1.124 -1.570 1.00 74.02 O ATOM 0 H GLY B 11 11.942 -2.787 1.588 1.00 54.20 H new ATOM 0 HA2 GLY B 11 13.673 -0.697 0.849 1.00 1.30 H new ATOM 0 HA3 GLY B 11 14.086 -2.389 1.043 1.00 1.30 H new ATOM 1454 N LYS B 12 12.816 -2.739 -1.600 1.00 44.11 N ATOM 1455 CA LYS B 12 12.831 -2.987 -3.058 1.00 3.25 C ATOM 1456 C LYS B 12 12.210 -1.806 -3.868 1.00 45.01 C ATOM 1457 O LYS B 12 12.820 -1.329 -4.834 1.00 21.40 O ATOM 1458 CB LYS B 12 12.084 -4.313 -3.343 1.00 71.32 C ATOM 1459 CG LYS B 12 12.170 -4.816 -4.801 1.00 1.13 C ATOM 1460 CD LYS B 12 11.510 -6.210 -5.015 1.00 51.41 C ATOM 1461 CE LYS B 12 12.305 -7.394 -4.415 1.00 55.25 C ATOM 1462 NZ LYS B 12 12.393 -7.361 -2.929 1.00 54.04 N ATOM 0 H LYS B 12 12.150 -3.326 -1.099 1.00 44.11 H new ATOM 0 HA LYS B 12 13.867 -3.066 -3.387 1.00 3.25 H new ATOM 0 HB2 LYS B 12 12.483 -5.085 -2.685 1.00 71.32 H new ATOM 0 HB3 LYS B 12 11.034 -4.183 -3.082 1.00 71.32 H new ATOM 0 HG2 LYS B 12 11.689 -4.090 -5.457 1.00 1.13 H new ATOM 0 HG3 LYS B 12 13.217 -4.869 -5.098 1.00 1.13 H new ATOM 0 HD2 LYS B 12 10.513 -6.198 -4.574 1.00 51.41 H new ATOM 0 HD3 LYS B 12 11.384 -6.378 -6.085 1.00 51.41 H new ATOM 0 HE2 LYS B 12 11.836 -8.329 -4.722 1.00 55.25 H new ATOM 0 HE3 LYS B 12 13.313 -7.392 -4.830 1.00 55.25 H new ATOM 0 HZ1 LYS B 12 12.403 -8.333 -2.560 1.00 54.04 H new ATOM 0 HZ2 LYS B 12 13.266 -6.873 -2.644 1.00 54.04 H new ATOM 0 HZ3 LYS B 12 11.571 -6.853 -2.544 1.00 54.04 H new ATOM 1476 N VAL B 13 11.002 -1.337 -3.467 1.00 31.42 N ATOM 1477 CA VAL B 13 10.323 -0.182 -4.133 1.00 13.31 C ATOM 1478 C VAL B 13 11.103 1.154 -3.933 1.00 70.01 C ATOM 1479 O VAL B 13 11.173 1.984 -4.851 1.00 62.11 O ATOM 1480 CB VAL B 13 8.799 -0.038 -3.691 1.00 51.33 C ATOM 1481 CG1 VAL B 13 8.626 -0.086 -2.160 1.00 22.20 C ATOM 1482 CG2 VAL B 13 8.135 1.247 -4.269 1.00 4.11 C ATOM 0 H VAL B 13 10.475 -1.735 -2.690 1.00 31.42 H new ATOM 0 HA VAL B 13 10.326 -0.401 -5.201 1.00 13.31 H new ATOM 0 HB VAL B 13 8.286 -0.902 -4.114 1.00 51.33 H new ATOM 0 HG11 VAL B 13 7.570 0.016 -1.910 1.00 22.20 H new ATOM 0 HG12 VAL B 13 8.998 -1.038 -1.781 1.00 22.20 H new ATOM 0 HG13 VAL B 13 9.187 0.730 -1.705 1.00 22.20 H new ATOM 0 HG21 VAL B 13 7.097 1.300 -3.940 1.00 4.11 H new ATOM 0 HG22 VAL B 13 8.674 2.126 -3.914 1.00 4.11 H new ATOM 0 HG23 VAL B 13 8.169 1.216 -5.358 1.00 4.11 H new ATOM 1492 N TRP B 14 11.722 1.344 -2.748 1.00 63.53 N ATOM 1493 CA TRP B 14 12.559 2.543 -2.475 1.00 42.01 C ATOM 1494 C TRP B 14 13.915 2.466 -3.236 1.00 73.34 C ATOM 1495 O TRP B 14 14.478 3.494 -3.626 1.00 64.11 O ATOM 1496 CB TRP B 14 12.785 2.755 -0.954 1.00 51.45 C ATOM 1497 CG TRP B 14 13.236 4.166 -0.609 1.00 13.20 C ATOM 1498 CD1 TRP B 14 12.443 5.266 -0.396 1.00 44.43 C ATOM 1499 CD2 TRP B 14 14.582 4.621 -0.465 1.00 42.40 C ATOM 1500 NE1 TRP B 14 13.224 6.366 -0.146 1.00 52.23 N ATOM 1501 CE2 TRP B 14 14.539 5.992 -0.179 1.00 5.52 C ATOM 1502 CE3 TRP B 14 15.817 3.988 -0.560 1.00 4.32 C ATOM 1503 CZ2 TRP B 14 15.691 6.742 0.020 1.00 12.11 C ATOM 1504 CZ3 TRP B 14 16.965 4.726 -0.363 1.00 14.34 C ATOM 1505 CH2 TRP B 14 16.896 6.095 -0.077 1.00 31.21 C ATOM 0 H TRP B 14 11.662 0.690 -1.967 1.00 63.53 H new ATOM 0 HA TRP B 14 12.012 3.410 -2.846 1.00 42.01 H new ATOM 0 HB2 TRP B 14 11.860 2.535 -0.421 1.00 51.45 H new ATOM 0 HB3 TRP B 14 13.533 2.045 -0.601 1.00 51.45 H new ATOM 0 HD1 TRP B 14 11.363 5.266 -0.421 1.00 44.43 H new ATOM 0 HE1 TRP B 14 12.880 7.309 0.035 1.00 52.23 H new ATOM 0 HE3 TRP B 14 15.876 2.933 -0.785 1.00 4.32 H new ATOM 0 HZ2 TRP B 14 15.639 7.797 0.243 1.00 12.11 H new ATOM 0 HZ3 TRP B 14 17.928 4.243 -0.430 1.00 14.34 H new ATOM 0 HH2 TRP B 14 17.810 6.652 0.070 1.00 31.21 H new ATOM 1516 N HIS B 15 14.438 1.238 -3.424 1.00 65.45 N ATOM 1517 CA HIS B 15 15.648 0.985 -4.255 1.00 24.54 C ATOM 1518 C HIS B 15 15.389 1.391 -5.732 1.00 60.40 C ATOM 1519 O HIS B 15 16.283 1.906 -6.416 1.00 33.24 O ATOM 1520 CB HIS B 15 16.048 -0.513 -4.157 1.00 11.12 C ATOM 1521 CG HIS B 15 17.365 -0.876 -4.796 1.00 31.33 C ATOM 1522 ND1 HIS B 15 18.566 -0.801 -4.125 1.00 4.24 N ATOM 1523 CD2 HIS B 15 17.667 -1.329 -6.039 1.00 61.22 C ATOM 1524 CE1 HIS B 15 19.541 -1.187 -4.920 1.00 2.33 C ATOM 1525 NE2 HIS B 15 19.026 -1.511 -6.084 1.00 43.11 N ATOM 0 H HIS B 15 14.042 0.394 -3.010 1.00 65.45 H new ATOM 0 HA HIS B 15 16.471 1.593 -3.879 1.00 24.54 H new ATOM 0 HB2 HIS B 15 16.085 -0.793 -3.104 1.00 11.12 H new ATOM 0 HB3 HIS B 15 15.263 -1.112 -4.618 1.00 11.12 H new ATOM 0 HD2 HIS B 15 16.969 -1.512 -6.842 1.00 61.22 H new ATOM 0 HE1 HIS B 15 20.588 -1.230 -4.659 1.00 2.33 H new ATOM 0 HE2 HIS B 15 19.552 -1.844 -6.892 1.00 43.11 H new ATOM 1534 N ALA B 16 14.143 1.150 -6.190 1.00 32.43 N ATOM 1535 CA ALA B 16 13.664 1.577 -7.525 1.00 50.41 C ATOM 1536 C ALA B 16 13.600 3.124 -7.651 1.00 54.11 C ATOM 1537 O ALA B 16 13.814 3.665 -8.732 1.00 10.23 O ATOM 1538 CB ALA B 16 12.289 0.949 -7.821 1.00 10.43 C ATOM 0 H ALA B 16 13.438 0.653 -5.645 1.00 32.43 H new ATOM 0 HA ALA B 16 14.383 1.224 -8.264 1.00 50.41 H new ATOM 0 HB1 ALA B 16 11.947 1.270 -8.805 1.00 10.43 H new ATOM 0 HB2 ALA B 16 12.374 -0.138 -7.803 1.00 10.43 H new ATOM 0 HB3 ALA B 16 11.572 1.270 -7.065 1.00 10.43 H new ATOM 1544 N LEU B 17 13.297 3.815 -6.529 1.00 14.33 N ATOM 1545 CA LEU B 17 13.298 5.304 -6.447 1.00 10.33 C ATOM 1546 C LEU B 17 14.731 5.884 -6.545 1.00 21.35 C ATOM 1547 O LEU B 17 14.967 6.883 -7.239 1.00 52.31 O ATOM 1548 CB LEU B 17 12.634 5.759 -5.118 1.00 71.34 C ATOM 1549 CG LEU B 17 11.097 5.510 -5.003 1.00 62.52 C ATOM 1550 CD1 LEU B 17 10.592 5.736 -3.561 1.00 31.33 C ATOM 1551 CD2 LEU B 17 10.330 6.401 -6.002 1.00 20.51 C ATOM 0 H LEU B 17 13.044 3.361 -5.651 1.00 14.33 H new ATOM 0 HA LEU B 17 12.727 5.685 -7.294 1.00 10.33 H new ATOM 0 HB2 LEU B 17 13.128 5.246 -4.293 1.00 71.34 H new ATOM 0 HB3 LEU B 17 12.820 6.825 -4.988 1.00 71.34 H new ATOM 0 HG LEU B 17 10.908 4.466 -5.254 1.00 62.52 H new ATOM 0 HD11 LEU B 17 9.518 5.554 -3.519 1.00 31.33 H new ATOM 0 HD12 LEU B 17 11.103 5.051 -2.885 1.00 31.33 H new ATOM 0 HD13 LEU B 17 10.798 6.763 -3.260 1.00 31.33 H new ATOM 0 HD21 LEU B 17 9.260 6.215 -5.909 1.00 20.51 H new ATOM 0 HD22 LEU B 17 10.536 7.450 -5.787 1.00 20.51 H new ATOM 0 HD23 LEU B 17 10.651 6.169 -7.017 1.00 20.51 H new ATOM 1563 N ASN B 18 15.672 5.252 -5.809 1.00 73.34 N ATOM 1564 CA ASN B 18 17.119 5.592 -5.843 1.00 13.32 C ATOM 1565 C ASN B 18 17.701 5.497 -7.283 1.00 11.54 C ATOM 1566 O ASN B 18 18.505 6.340 -7.700 1.00 41.01 O ATOM 1567 CB ASN B 18 17.887 4.654 -4.872 1.00 42.41 C ATOM 1568 CG ASN B 18 19.402 4.907 -4.830 1.00 22.12 C ATOM 1569 OD1 ASN B 18 19.885 5.738 -4.067 1.00 70.31 O ATOM 1570 ND2 ASN B 18 20.161 4.191 -5.639 1.00 23.30 N ATOM 0 H ASN B 18 15.452 4.488 -5.171 1.00 73.34 H new ATOM 0 HA ASN B 18 17.240 6.627 -5.522 1.00 13.32 H new ATOM 0 HB2 ASN B 18 17.480 4.775 -3.868 1.00 42.41 H new ATOM 0 HB3 ASN B 18 17.709 3.619 -5.165 1.00 42.41 H new ATOM 0 HD21 ASN B 18 21.172 4.323 -5.639 1.00 23.30 H new ATOM 0 HD22 ASN B 18 19.736 3.506 -6.264 1.00 23.30 H new ATOM 1577 N GLU B 19 17.267 4.466 -8.030 1.00 21.23 N ATOM 1578 CA GLU B 19 17.681 4.243 -9.433 1.00 3.52 C ATOM 1579 C GLU B 19 16.988 5.259 -10.381 1.00 63.31 C ATOM 1580 O GLU B 19 17.654 5.936 -11.180 1.00 13.31 O ATOM 1581 CB GLU B 19 17.351 2.776 -9.834 1.00 71.14 C ATOM 1582 CG GLU B 19 17.675 2.385 -11.295 1.00 32.30 C ATOM 1583 CD GLU B 19 19.145 2.613 -11.703 1.00 31.41 C ATOM 1584 OE1 GLU B 19 20.043 1.919 -11.165 1.00 14.52 O ATOM 1585 OE2 GLU B 19 19.413 3.474 -12.571 1.00 52.11 O ATOM 0 H GLU B 19 16.618 3.761 -7.680 1.00 21.23 H new ATOM 0 HA GLU B 19 18.756 4.401 -9.525 1.00 3.52 H new ATOM 0 HB2 GLU B 19 17.898 2.107 -9.170 1.00 71.14 H new ATOM 0 HB3 GLU B 19 16.289 2.602 -9.659 1.00 71.14 H new ATOM 0 HG2 GLU B 19 17.429 1.333 -11.440 1.00 32.30 H new ATOM 0 HG3 GLU B 19 17.032 2.958 -11.963 1.00 32.30 H new ATOM 1592 N ALA B 20 15.650 5.369 -10.252 1.00 14.44 N ATOM 1593 CA ALA B 20 14.812 6.262 -11.085 1.00 24.15 C ATOM 1594 C ALA B 20 13.415 6.465 -10.440 1.00 71.51 C ATOM 1595 O ALA B 20 12.555 5.578 -10.523 1.00 44.12 O ATOM 1596 CB ALA B 20 14.673 5.702 -12.520 1.00 13.21 C ATOM 0 H ALA B 20 15.116 4.839 -9.564 1.00 14.44 H new ATOM 0 HA ALA B 20 15.305 7.232 -11.143 1.00 24.15 H new ATOM 0 HB1 ALA B 20 14.054 6.374 -13.114 1.00 13.21 H new ATOM 0 HB2 ALA B 20 15.660 5.620 -12.976 1.00 13.21 H new ATOM 0 HB3 ALA B 20 14.208 4.717 -12.483 1.00 13.21 H new ATOM 1602 N ASP B 21 13.193 7.631 -9.801 1.00 63.03 N ATOM 1603 CA ASP B 21 11.897 7.960 -9.154 1.00 2.44 C ATOM 1604 C ASP B 21 10.883 8.541 -10.176 1.00 63.23 C ATOM 1605 O ASP B 21 11.235 8.799 -11.336 1.00 25.24 O ATOM 1606 CB ASP B 21 12.119 8.947 -7.979 1.00 62.32 C ATOM 1607 CG ASP B 21 12.500 10.371 -8.421 1.00 24.31 C ATOM 1608 OD1 ASP B 21 13.666 10.588 -8.821 1.00 3.14 O ATOM 1609 OD2 ASP B 21 11.629 11.271 -8.378 1.00 11.51 O ATOM 0 H ASP B 21 13.895 8.366 -9.716 1.00 63.03 H new ATOM 0 HA ASP B 21 11.473 7.036 -8.761 1.00 2.44 H new ATOM 0 HB2 ASP B 21 11.209 8.995 -7.381 1.00 62.32 H new ATOM 0 HB3 ASP B 21 12.905 8.556 -7.333 1.00 62.32 H new ATOM 1614 N GLY B 22 9.631 8.758 -9.726 1.00 4.11 N ATOM 1615 CA GLY B 22 8.578 9.297 -10.596 1.00 22.14 C ATOM 1616 C GLY B 22 7.962 8.233 -11.496 1.00 21.44 C ATOM 1617 O GLY B 22 8.120 8.268 -12.722 1.00 20.32 O ATOM 0 H GLY B 22 9.330 8.568 -8.770 1.00 4.11 H new ATOM 0 HA2 GLY B 22 7.797 9.744 -9.981 1.00 22.14 H new ATOM 0 HA3 GLY B 22 8.994 10.094 -11.213 1.00 22.14 H new ATOM 1621 N ILE B 23 7.286 7.261 -10.868 1.00 54.33 N ATOM 1622 CA ILE B 23 6.641 6.135 -11.574 1.00 3.12 C ATOM 1623 C ILE B 23 5.409 5.632 -10.777 1.00 32.30 C ATOM 1624 O ILE B 23 5.400 5.675 -9.540 1.00 2.25 O ATOM 1625 CB ILE B 23 7.685 4.972 -11.837 1.00 10.43 C ATOM 1626 CG1 ILE B 23 7.062 3.813 -12.689 1.00 44.54 C ATOM 1627 CG2 ILE B 23 8.291 4.438 -10.511 1.00 41.15 C ATOM 1628 CD1 ILE B 23 8.054 2.755 -13.155 1.00 70.51 C ATOM 0 H ILE B 23 7.168 7.229 -9.855 1.00 54.33 H new ATOM 0 HA ILE B 23 6.287 6.483 -12.545 1.00 3.12 H new ATOM 0 HB ILE B 23 8.500 5.400 -12.420 1.00 10.43 H new ATOM 0 HG12 ILE B 23 6.284 3.327 -12.100 1.00 44.54 H new ATOM 0 HG13 ILE B 23 6.576 4.245 -13.564 1.00 44.54 H new ATOM 0 HG21 ILE B 23 9.002 3.642 -10.731 1.00 41.15 H new ATOM 0 HG22 ILE B 23 8.803 5.249 -9.992 1.00 41.15 H new ATOM 0 HG23 ILE B 23 7.494 4.048 -9.878 1.00 41.15 H new ATOM 0 HD11 ILE B 23 7.530 1.996 -13.736 1.00 70.51 H new ATOM 0 HD12 ILE B 23 8.820 3.222 -13.774 1.00 70.51 H new ATOM 0 HD13 ILE B 23 8.523 2.289 -12.288 1.00 70.51 H new ATOM 1640 N SER B 24 4.357 5.199 -11.500 1.00 4.20 N ATOM 1641 CA SER B 24 3.119 4.663 -10.889 1.00 14.21 C ATOM 1642 C SER B 24 3.367 3.279 -10.251 1.00 41.15 C ATOM 1643 O SER B 24 4.234 2.520 -10.708 1.00 62.53 O ATOM 1644 CB SER B 24 1.989 4.589 -11.946 1.00 21.43 C ATOM 1645 OG SER B 24 0.758 4.178 -11.367 1.00 64.52 O ATOM 0 H SER B 24 4.339 5.210 -12.520 1.00 4.20 H new ATOM 0 HA SER B 24 2.808 5.341 -10.095 1.00 14.21 H new ATOM 0 HB2 SER B 24 1.864 5.565 -12.414 1.00 21.43 H new ATOM 0 HB3 SER B 24 2.272 3.891 -12.734 1.00 21.43 H new ATOM 0 HG SER B 24 0.564 4.733 -10.583 1.00 64.52 H new ATOM 1651 N ILE B 25 2.598 2.968 -9.191 1.00 72.45 N ATOM 1652 CA ILE B 25 2.754 1.721 -8.404 1.00 54.01 C ATOM 1653 C ILE B 25 2.595 0.412 -9.267 1.00 5.22 C ATOM 1654 O ILE B 25 3.486 -0.446 -9.198 1.00 72.01 O ATOM 1655 CB ILE B 25 1.786 1.712 -7.151 1.00 12.42 C ATOM 1656 CG1 ILE B 25 2.183 2.860 -6.153 1.00 62.12 C ATOM 1657 CG2 ILE B 25 1.745 0.323 -6.457 1.00 52.20 C ATOM 1658 CD1 ILE B 25 1.264 3.024 -4.944 1.00 25.25 C ATOM 0 H ILE B 25 1.849 3.572 -8.852 1.00 72.45 H new ATOM 0 HA ILE B 25 3.782 1.715 -8.043 1.00 54.01 H new ATOM 0 HB ILE B 25 0.772 1.904 -7.502 1.00 12.42 H new ATOM 0 HG12 ILE B 25 3.196 2.673 -5.796 1.00 62.12 H new ATOM 0 HG13 ILE B 25 2.207 3.802 -6.701 1.00 62.12 H new ATOM 0 HG21 ILE B 25 1.069 0.363 -5.603 1.00 52.20 H new ATOM 0 HG22 ILE B 25 1.392 -0.427 -7.165 1.00 52.20 H new ATOM 0 HG23 ILE B 25 2.745 0.057 -6.116 1.00 52.20 H new ATOM 0 HD11 ILE B 25 1.626 3.841 -4.320 1.00 25.25 H new ATOM 0 HD12 ILE B 25 0.252 3.247 -5.283 1.00 25.25 H new ATOM 0 HD13 ILE B 25 1.257 2.101 -4.364 1.00 25.25 H new ATOM 1670 N PRO B 26 1.493 0.224 -10.101 1.00 13.41 N ATOM 1671 CA PRO B 26 1.361 -0.971 -10.992 1.00 4.51 C ATOM 1672 C PRO B 26 2.525 -1.111 -12.017 1.00 75.52 C ATOM 1673 O PRO B 26 2.949 -2.229 -12.334 1.00 62.34 O ATOM 1674 CB PRO B 26 -0.014 -0.754 -11.709 1.00 41.35 C ATOM 1675 CG PRO B 26 -0.303 0.710 -11.551 1.00 22.32 C ATOM 1676 CD PRO B 26 0.284 1.093 -10.212 1.00 71.01 C ATOM 0 HA PRO B 26 1.408 -1.899 -10.422 1.00 4.51 H new ATOM 0 HB2 PRO B 26 0.040 -1.035 -12.761 1.00 41.35 H new ATOM 0 HB3 PRO B 26 -0.797 -1.363 -11.256 1.00 41.35 H new ATOM 0 HG2 PRO B 26 0.148 1.289 -12.357 1.00 22.32 H new ATOM 0 HG3 PRO B 26 -1.375 0.904 -11.580 1.00 22.32 H new ATOM 0 HD2 PRO B 26 0.545 2.151 -10.176 1.00 71.01 H new ATOM 0 HD3 PRO B 26 -0.418 0.910 -9.399 1.00 71.01 H new ATOM 1684 N GLU B 27 3.039 0.037 -12.508 1.00 21.32 N ATOM 1685 CA GLU B 27 4.147 0.078 -13.496 1.00 75.24 C ATOM 1686 C GLU B 27 5.473 -0.458 -12.910 1.00 41.42 C ATOM 1687 O GLU B 27 6.122 -1.331 -13.505 1.00 3.01 O ATOM 1688 CB GLU B 27 4.337 1.525 -14.026 1.00 54.03 C ATOM 1689 CG GLU B 27 3.168 2.049 -14.888 1.00 3.41 C ATOM 1690 CD GLU B 27 2.981 1.257 -16.201 1.00 42.31 C ATOM 1691 OE1 GLU B 27 3.749 1.488 -17.158 1.00 1.41 O ATOM 1692 OE2 GLU B 27 2.072 0.399 -16.276 1.00 53.31 O ATOM 0 H GLU B 27 2.702 0.960 -12.234 1.00 21.32 H new ATOM 0 HA GLU B 27 3.872 -0.577 -14.322 1.00 75.24 H new ATOM 0 HB2 GLU B 27 4.474 2.194 -13.177 1.00 54.03 H new ATOM 0 HB3 GLU B 27 5.253 1.565 -14.615 1.00 54.03 H new ATOM 0 HG2 GLU B 27 2.247 2.001 -14.308 1.00 3.41 H new ATOM 0 HG3 GLU B 27 3.341 3.099 -15.125 1.00 3.41 H new ATOM 1699 N LEU B 28 5.861 0.067 -11.736 1.00 1.34 N ATOM 1700 CA LEU B 28 7.114 -0.337 -11.052 1.00 50.12 C ATOM 1701 C LEU B 28 7.003 -1.780 -10.508 1.00 52.43 C ATOM 1702 O LEU B 28 8.002 -2.494 -10.454 1.00 71.53 O ATOM 1703 CB LEU B 28 7.485 0.684 -9.924 1.00 71.14 C ATOM 1704 CG LEU B 28 6.987 0.367 -8.457 1.00 0.24 C ATOM 1705 CD1 LEU B 28 8.087 -0.322 -7.608 1.00 15.33 C ATOM 1706 CD2 LEU B 28 6.446 1.620 -7.750 1.00 42.40 C ATOM 0 H LEU B 28 5.326 0.776 -11.234 1.00 1.34 H new ATOM 0 HA LEU B 28 7.924 -0.326 -11.781 1.00 50.12 H new ATOM 0 HB2 LEU B 28 8.571 0.776 -9.898 1.00 71.14 H new ATOM 0 HB3 LEU B 28 7.090 1.659 -10.210 1.00 71.14 H new ATOM 0 HG LEU B 28 6.160 -0.336 -8.555 1.00 0.24 H new ATOM 0 HD11 LEU B 28 7.703 -0.522 -6.608 1.00 15.33 H new ATOM 0 HD12 LEU B 28 8.376 -1.261 -8.080 1.00 15.33 H new ATOM 0 HD13 LEU B 28 8.956 0.332 -7.539 1.00 15.33 H new ATOM 0 HD21 LEU B 28 6.115 1.357 -6.745 1.00 42.40 H new ATOM 0 HD22 LEU B 28 7.234 2.371 -7.687 1.00 42.40 H new ATOM 0 HD23 LEU B 28 5.605 2.022 -8.315 1.00 42.40 H new ATOM 1718 N ALA B 29 5.772 -2.182 -10.097 1.00 4.54 N ATOM 1719 CA ALA B 29 5.478 -3.538 -9.565 1.00 43.04 C ATOM 1720 C ALA B 29 5.875 -4.641 -10.568 1.00 34.35 C ATOM 1721 O ALA B 29 6.462 -5.663 -10.194 1.00 1.22 O ATOM 1722 CB ALA B 29 3.989 -3.651 -9.205 1.00 53.14 C ATOM 0 H ALA B 29 4.954 -1.573 -10.126 1.00 4.54 H new ATOM 0 HA ALA B 29 6.076 -3.682 -8.665 1.00 43.04 H new ATOM 0 HB1 ALA B 29 3.783 -4.648 -8.816 1.00 53.14 H new ATOM 0 HB2 ALA B 29 3.740 -2.908 -8.448 1.00 53.14 H new ATOM 0 HB3 ALA B 29 3.385 -3.477 -10.096 1.00 53.14 H new ATOM 1728 N ARG B 30 5.573 -4.389 -11.852 1.00 74.41 N ATOM 1729 CA ARG B 30 5.965 -5.259 -12.982 1.00 33.24 C ATOM 1730 C ARG B 30 7.515 -5.397 -13.078 1.00 2.25 C ATOM 1731 O ARG B 30 8.047 -6.485 -13.324 1.00 55.42 O ATOM 1732 CB ARG B 30 5.394 -4.662 -14.298 1.00 2.24 C ATOM 1733 CG ARG B 30 5.617 -5.524 -15.563 1.00 55.33 C ATOM 1734 CD ARG B 30 5.173 -4.813 -16.863 1.00 51.43 C ATOM 1735 NE ARG B 30 3.754 -4.388 -16.827 1.00 0.24 N ATOM 1736 CZ ARG B 30 2.905 -4.438 -17.836 1.00 55.54 C ATOM 1737 NH1 ARG B 30 3.236 -4.976 -18.969 1.00 20.24 N ATOM 1738 NH2 ARG B 30 1.711 -3.965 -17.685 1.00 62.14 N ATOM 0 H ARG B 30 5.044 -3.567 -12.142 1.00 74.41 H new ATOM 0 HA ARG B 30 5.557 -6.256 -12.819 1.00 33.24 H new ATOM 0 HB2 ARG B 30 4.323 -4.502 -14.171 1.00 2.24 H new ATOM 0 HB3 ARG B 30 5.846 -3.683 -14.460 1.00 2.24 H new ATOM 0 HG2 ARG B 30 6.673 -5.782 -15.639 1.00 55.33 H new ATOM 0 HG3 ARG B 30 5.067 -6.459 -15.461 1.00 55.33 H new ATOM 0 HD2 ARG B 30 5.805 -3.941 -17.029 1.00 51.43 H new ATOM 0 HD3 ARG B 30 5.326 -5.483 -17.709 1.00 51.43 H new ATOM 0 HE ARG B 30 3.401 -4.024 -15.942 1.00 0.24 H new ATOM 0 HH11 ARG B 30 4.168 -5.371 -19.093 1.00 20.24 H new ATOM 0 HH12 ARG B 30 2.564 -5.004 -19.736 1.00 20.24 H new ATOM 0 HH21 ARG B 30 1.433 -3.558 -16.792 1.00 62.14 H new ATOM 0 HH22 ARG B 30 1.047 -3.999 -18.459 1.00 62.14 H new ATOM 1752 N LYS B 31 8.215 -4.272 -12.848 1.00 21.42 N ATOM 1753 CA LYS B 31 9.695 -4.177 -12.959 1.00 14.21 C ATOM 1754 C LYS B 31 10.432 -4.837 -11.761 1.00 55.14 C ATOM 1755 O LYS B 31 11.534 -5.371 -11.923 1.00 42.54 O ATOM 1756 CB LYS B 31 10.099 -2.685 -13.069 1.00 12.51 C ATOM 1757 CG LYS B 31 9.451 -1.945 -14.260 1.00 51.00 C ATOM 1758 CD LYS B 31 9.862 -0.454 -14.343 1.00 45.30 C ATOM 1759 CE LYS B 31 11.387 -0.261 -14.484 1.00 43.52 C ATOM 1760 NZ LYS B 31 11.936 -0.980 -15.662 1.00 44.01 N ATOM 0 H LYS B 31 7.774 -3.393 -12.578 1.00 21.42 H new ATOM 0 HA LYS B 31 9.995 -4.724 -13.853 1.00 14.21 H new ATOM 0 HB2 LYS B 31 9.824 -2.176 -12.145 1.00 12.51 H new ATOM 0 HB3 LYS B 31 11.183 -2.618 -13.160 1.00 12.51 H new ATOM 0 HG2 LYS B 31 9.731 -2.445 -15.187 1.00 51.00 H new ATOM 0 HG3 LYS B 31 8.366 -2.013 -14.176 1.00 51.00 H new ATOM 0 HD2 LYS B 31 9.362 0.009 -15.193 1.00 45.30 H new ATOM 0 HD3 LYS B 31 9.516 0.064 -13.449 1.00 45.30 H new ATOM 0 HE2 LYS B 31 11.610 0.802 -14.573 1.00 43.52 H new ATOM 0 HE3 LYS B 31 11.882 -0.617 -13.580 1.00 43.52 H new ATOM 0 HZ1 LYS B 31 12.946 -0.755 -15.767 1.00 44.01 H new ATOM 0 HZ2 LYS B 31 11.822 -2.005 -15.527 1.00 44.01 H new ATOM 0 HZ3 LYS B 31 11.425 -0.685 -16.518 1.00 44.01 H new ATOM 1774 N VAL B 32 9.820 -4.772 -10.560 1.00 13.13 N ATOM 1775 CA VAL B 32 10.388 -5.358 -9.312 1.00 21.02 C ATOM 1776 C VAL B 32 9.806 -6.770 -9.017 1.00 71.22 C ATOM 1777 O VAL B 32 10.082 -7.353 -7.958 1.00 23.32 O ATOM 1778 CB VAL B 32 10.167 -4.391 -8.085 1.00 72.34 C ATOM 1779 CG1 VAL B 32 10.858 -3.021 -8.319 1.00 55.53 C ATOM 1780 CG2 VAL B 32 8.662 -4.212 -7.754 1.00 53.31 C ATOM 0 H VAL B 32 8.919 -4.314 -10.421 1.00 13.13 H new ATOM 0 HA VAL B 32 11.460 -5.476 -9.468 1.00 21.02 H new ATOM 0 HB VAL B 32 10.634 -4.858 -7.218 1.00 72.34 H new ATOM 0 HG11 VAL B 32 10.688 -2.376 -7.457 1.00 55.53 H new ATOM 0 HG12 VAL B 32 11.929 -3.172 -8.454 1.00 55.53 H new ATOM 0 HG13 VAL B 32 10.443 -2.552 -9.211 1.00 55.53 H new ATOM 0 HG21 VAL B 32 8.554 -3.539 -6.903 1.00 53.31 H new ATOM 0 HG22 VAL B 32 8.147 -3.791 -8.617 1.00 53.31 H new ATOM 0 HG23 VAL B 32 8.226 -5.180 -7.508 1.00 53.31 H new ATOM 1790 N ASN B 33 8.982 -7.285 -9.971 1.00 65.11 N ATOM 1791 CA ASN B 33 8.429 -8.674 -9.974 1.00 50.54 C ATOM 1792 C ASN B 33 7.380 -8.909 -8.831 1.00 2.30 C ATOM 1793 O ASN B 33 6.954 -10.043 -8.582 1.00 73.14 O ATOM 1794 CB ASN B 33 9.602 -9.720 -9.937 1.00 31.22 C ATOM 1795 CG ASN B 33 9.201 -11.178 -10.212 1.00 24.22 C ATOM 1796 OD1 ASN B 33 8.265 -11.458 -10.960 1.00 0.43 O ATOM 1797 ND2 ASN B 33 9.897 -12.122 -9.600 1.00 72.31 N ATOM 0 H ASN B 33 8.676 -6.738 -10.776 1.00 65.11 H new ATOM 0 HA ASN B 33 7.877 -8.814 -10.904 1.00 50.54 H new ATOM 0 HB2 ASN B 33 10.352 -9.424 -10.670 1.00 31.22 H new ATOM 0 HB3 ASN B 33 10.077 -9.671 -8.957 1.00 31.22 H new ATOM 0 HD21 ASN B 33 9.661 -13.104 -9.744 1.00 72.31 H new ATOM 0 HD22 ASN B 33 10.669 -11.868 -8.984 1.00 72.31 H new ATOM 1804 N LEU B 34 6.942 -7.824 -8.158 1.00 52.32 N ATOM 1805 CA LEU B 34 5.920 -7.889 -7.084 1.00 23.21 C ATOM 1806 C LEU B 34 4.514 -7.612 -7.655 1.00 74.14 C ATOM 1807 O LEU B 34 4.375 -6.955 -8.685 1.00 71.40 O ATOM 1808 CB LEU B 34 6.224 -6.850 -5.966 1.00 22.22 C ATOM 1809 CG LEU B 34 7.658 -6.882 -5.353 1.00 61.21 C ATOM 1810 CD1 LEU B 34 7.808 -5.816 -4.240 1.00 42.22 C ATOM 1811 CD2 LEU B 34 8.032 -8.294 -4.849 1.00 74.24 C ATOM 0 H LEU B 34 7.283 -6.880 -8.341 1.00 52.32 H new ATOM 0 HA LEU B 34 5.951 -8.893 -6.661 1.00 23.21 H new ATOM 0 HB2 LEU B 34 6.049 -5.853 -6.371 1.00 22.22 H new ATOM 0 HB3 LEU B 34 5.506 -6.997 -5.160 1.00 22.22 H new ATOM 0 HG LEU B 34 8.364 -6.633 -6.146 1.00 61.21 H new ATOM 0 HD11 LEU B 34 8.817 -5.859 -3.829 1.00 42.22 H new ATOM 0 HD12 LEU B 34 7.628 -4.826 -4.658 1.00 42.22 H new ATOM 0 HD13 LEU B 34 7.085 -6.012 -3.448 1.00 42.22 H new ATOM 0 HD21 LEU B 34 9.038 -8.276 -4.429 1.00 74.24 H new ATOM 0 HD22 LEU B 34 7.324 -8.606 -4.081 1.00 74.24 H new ATOM 0 HD23 LEU B 34 7.999 -8.998 -5.681 1.00 74.24 H new ATOM 1823 N SER B 35 3.473 -8.117 -6.973 1.00 73.33 N ATOM 1824 CA SER B 35 2.073 -7.731 -7.261 1.00 74.32 C ATOM 1825 C SER B 35 1.828 -6.247 -6.876 1.00 14.33 C ATOM 1826 O SER B 35 2.501 -5.727 -5.973 1.00 4.31 O ATOM 1827 CB SER B 35 1.095 -8.658 -6.499 1.00 60.51 C ATOM 1828 OG SER B 35 1.295 -10.024 -6.843 1.00 24.42 O ATOM 0 H SER B 35 3.570 -8.795 -6.217 1.00 73.33 H new ATOM 0 HA SER B 35 1.894 -7.841 -8.331 1.00 74.32 H new ATOM 0 HB2 SER B 35 1.232 -8.529 -5.425 1.00 60.51 H new ATOM 0 HB3 SER B 35 0.068 -8.371 -6.727 1.00 60.51 H new ATOM 0 HG SER B 35 0.663 -10.583 -6.344 1.00 24.42 H new ATOM 1834 N VAL B 36 0.866 -5.585 -7.556 1.00 33.51 N ATOM 1835 CA VAL B 36 0.500 -4.162 -7.287 1.00 52.32 C ATOM 1836 C VAL B 36 0.210 -3.929 -5.781 1.00 1.34 C ATOM 1837 O VAL B 36 0.685 -2.962 -5.184 1.00 23.31 O ATOM 1838 CB VAL B 36 -0.760 -3.735 -8.131 1.00 21.01 C ATOM 1839 CG1 VAL B 36 -1.169 -2.259 -7.871 1.00 31.50 C ATOM 1840 CG2 VAL B 36 -0.537 -4.002 -9.639 1.00 11.42 C ATOM 0 H VAL B 36 0.320 -6.012 -8.304 1.00 33.51 H new ATOM 0 HA VAL B 36 1.353 -3.551 -7.580 1.00 52.32 H new ATOM 0 HB VAL B 36 -1.593 -4.355 -7.799 1.00 21.01 H new ATOM 0 HG11 VAL B 36 -2.042 -2.012 -8.475 1.00 31.50 H new ATOM 0 HG12 VAL B 36 -1.409 -2.128 -6.816 1.00 31.50 H new ATOM 0 HG13 VAL B 36 -0.343 -1.600 -8.139 1.00 31.50 H new ATOM 0 HG21 VAL B 36 -1.422 -3.698 -10.197 1.00 11.42 H new ATOM 0 HG22 VAL B 36 0.324 -3.431 -9.986 1.00 11.42 H new ATOM 0 HG23 VAL B 36 -0.356 -5.065 -9.797 1.00 11.42 H new ATOM 1850 N GLU B 37 -0.550 -4.874 -5.197 1.00 11.00 N ATOM 1851 CA GLU B 37 -0.887 -4.900 -3.754 1.00 70.01 C ATOM 1852 C GLU B 37 0.381 -4.962 -2.854 1.00 11.43 C ATOM 1853 O GLU B 37 0.513 -4.176 -1.912 1.00 35.45 O ATOM 1854 CB GLU B 37 -1.803 -6.118 -3.475 1.00 20.14 C ATOM 1855 CG GLU B 37 -3.116 -6.103 -4.282 1.00 41.30 C ATOM 1856 CD GLU B 37 -3.973 -7.365 -4.073 1.00 64.30 C ATOM 1857 OE1 GLU B 37 -4.520 -7.554 -2.964 1.00 51.42 O ATOM 1858 OE2 GLU B 37 -4.107 -8.170 -5.023 1.00 12.25 O ATOM 0 H GLU B 37 -0.954 -5.653 -5.717 1.00 11.00 H new ATOM 0 HA GLU B 37 -1.404 -3.973 -3.507 1.00 70.01 H new ATOM 0 HB2 GLU B 37 -1.256 -7.033 -3.704 1.00 20.14 H new ATOM 0 HB3 GLU B 37 -2.041 -6.147 -2.412 1.00 20.14 H new ATOM 0 HG2 GLU B 37 -3.698 -5.226 -3.999 1.00 41.30 H new ATOM 0 HG3 GLU B 37 -2.882 -6.002 -5.342 1.00 41.30 H new ATOM 1865 N SER B 38 1.312 -5.884 -3.194 1.00 44.13 N ATOM 1866 CA SER B 38 2.593 -6.094 -2.448 1.00 33.22 C ATOM 1867 C SER B 38 3.470 -4.824 -2.397 1.00 14.21 C ATOM 1868 O SER B 38 4.073 -4.519 -1.367 1.00 35.35 O ATOM 1869 CB SER B 38 3.413 -7.241 -3.088 1.00 22.25 C ATOM 1870 OG SER B 38 2.735 -8.484 -3.003 1.00 22.42 O ATOM 0 H SER B 38 1.204 -6.508 -3.993 1.00 44.13 H new ATOM 0 HA SER B 38 2.312 -6.352 -1.427 1.00 33.22 H new ATOM 0 HB2 SER B 38 3.612 -7.006 -4.134 1.00 22.25 H new ATOM 0 HB3 SER B 38 4.379 -7.319 -2.590 1.00 22.25 H new ATOM 0 HG SER B 38 2.984 -9.045 -3.767 1.00 22.42 H new ATOM 1876 N THR B 39 3.537 -4.114 -3.528 1.00 44.53 N ATOM 1877 CA THR B 39 4.320 -2.866 -3.659 1.00 41.12 C ATOM 1878 C THR B 39 3.652 -1.680 -2.906 1.00 14.33 C ATOM 1879 O THR B 39 4.311 -0.965 -2.150 1.00 45.24 O ATOM 1880 CB THR B 39 4.502 -2.500 -5.172 1.00 33.54 C ATOM 1881 OG1 THR B 39 5.203 -3.557 -5.857 1.00 71.31 O ATOM 1882 CG2 THR B 39 5.260 -1.175 -5.377 1.00 34.11 C ATOM 0 H THR B 39 3.051 -4.383 -4.384 1.00 44.53 H new ATOM 0 HA THR B 39 5.295 -3.042 -3.205 1.00 41.12 H new ATOM 0 HB THR B 39 3.501 -2.376 -5.586 1.00 33.54 H new ATOM 0 HG1 THR B 39 5.840 -3.169 -6.492 1.00 71.31 H new ATOM 0 HG21 THR B 39 5.357 -0.972 -6.444 1.00 34.11 H new ATOM 0 HG22 THR B 39 4.709 -0.363 -4.902 1.00 34.11 H new ATOM 0 HG23 THR B 39 6.252 -1.250 -4.931 1.00 34.11 H new ATOM 1890 N ALA B 40 2.328 -1.520 -3.104 1.00 41.10 N ATOM 1891 CA ALA B 40 1.565 -0.318 -2.672 1.00 1.23 C ATOM 1892 C ALA B 40 1.509 -0.125 -1.131 1.00 3.30 C ATOM 1893 O ALA B 40 1.758 0.978 -0.632 1.00 73.14 O ATOM 1894 CB ALA B 40 0.152 -0.379 -3.258 1.00 25.34 C ATOM 0 H ALA B 40 1.750 -2.220 -3.569 1.00 41.10 H new ATOM 0 HA ALA B 40 2.101 0.551 -3.054 1.00 1.23 H new ATOM 0 HB1 ALA B 40 -0.410 0.500 -2.944 1.00 25.34 H new ATOM 0 HB2 ALA B 40 0.210 -0.403 -4.346 1.00 25.34 H new ATOM 0 HB3 ALA B 40 -0.351 -1.278 -2.902 1.00 25.34 H new ATOM 1900 N LEU B 41 1.165 -1.197 -0.381 1.00 41.32 N ATOM 1901 CA LEU B 41 1.105 -1.126 1.108 1.00 43.31 C ATOM 1902 C LEU B 41 2.535 -1.041 1.719 1.00 3.23 C ATOM 1903 O LEU B 41 2.725 -0.496 2.815 1.00 61.53 O ATOM 1904 CB LEU B 41 0.189 -2.271 1.721 1.00 55.23 C ATOM 1905 CG LEU B 41 0.781 -3.676 2.142 1.00 23.45 C ATOM 1906 CD1 LEU B 41 1.658 -4.327 1.060 1.00 22.40 C ATOM 1907 CD2 LEU B 41 1.492 -3.615 3.513 1.00 71.22 C ATOM 0 H LEU B 41 0.927 -2.110 -0.769 1.00 41.32 H new ATOM 0 HA LEU B 41 0.608 -0.199 1.394 1.00 43.31 H new ATOM 0 HB2 LEU B 41 -0.289 -1.852 2.607 1.00 55.23 H new ATOM 0 HB3 LEU B 41 -0.600 -2.466 0.995 1.00 55.23 H new ATOM 0 HG LEU B 41 -0.079 -4.337 2.251 1.00 23.45 H new ATOM 0 HD11 LEU B 41 2.028 -5.287 1.420 1.00 22.40 H new ATOM 0 HD12 LEU B 41 1.067 -4.482 0.157 1.00 22.40 H new ATOM 0 HD13 LEU B 41 2.501 -3.675 0.834 1.00 22.40 H new ATOM 0 HD21 LEU B 41 1.884 -4.601 3.764 1.00 71.22 H new ATOM 0 HD22 LEU B 41 2.313 -2.900 3.466 1.00 71.22 H new ATOM 0 HD23 LEU B 41 0.781 -3.302 4.278 1.00 71.22 H new ATOM 1919 N ALA B 42 3.533 -1.582 0.983 1.00 22.53 N ATOM 1920 CA ALA B 42 4.966 -1.521 1.367 1.00 24.13 C ATOM 1921 C ALA B 42 5.529 -0.076 1.285 1.00 75.14 C ATOM 1922 O ALA B 42 6.487 0.267 1.984 1.00 23.40 O ATOM 1923 CB ALA B 42 5.788 -2.478 0.489 1.00 64.32 C ATOM 0 H ALA B 42 3.369 -2.074 0.105 1.00 22.53 H new ATOM 0 HA ALA B 42 5.046 -1.835 2.408 1.00 24.13 H new ATOM 0 HB1 ALA B 42 6.838 -2.426 0.778 1.00 64.32 H new ATOM 0 HB2 ALA B 42 5.425 -3.497 0.623 1.00 64.32 H new ATOM 0 HB3 ALA B 42 5.685 -2.191 -0.557 1.00 64.32 H new ATOM 1929 N VAL B 43 4.925 0.767 0.420 1.00 61.04 N ATOM 1930 CA VAL B 43 5.197 2.229 0.390 1.00 14.04 C ATOM 1931 C VAL B 43 4.829 2.895 1.755 1.00 61.11 C ATOM 1932 O VAL B 43 5.469 3.863 2.182 1.00 23.14 O ATOM 1933 CB VAL B 43 4.422 2.933 -0.788 1.00 0.51 C ATOM 1934 CG1 VAL B 43 4.684 4.463 -0.826 1.00 34.12 C ATOM 1935 CG2 VAL B 43 4.766 2.282 -2.155 1.00 42.40 C ATOM 0 H VAL B 43 4.241 0.462 -0.273 1.00 61.04 H new ATOM 0 HA VAL B 43 6.266 2.358 0.218 1.00 14.04 H new ATOM 0 HB VAL B 43 3.358 2.789 -0.598 1.00 0.51 H new ATOM 0 HG11 VAL B 43 4.130 4.907 -1.653 1.00 34.12 H new ATOM 0 HG12 VAL B 43 4.357 4.912 0.112 1.00 34.12 H new ATOM 0 HG13 VAL B 43 5.750 4.646 -0.963 1.00 34.12 H new ATOM 0 HG21 VAL B 43 4.216 2.789 -2.948 1.00 42.40 H new ATOM 0 HG22 VAL B 43 5.836 2.371 -2.341 1.00 42.40 H new ATOM 0 HG23 VAL B 43 4.487 1.228 -2.137 1.00 42.40 H new ATOM 1945 N GLY B 44 3.803 2.339 2.435 1.00 11.53 N ATOM 1946 CA GLY B 44 3.426 2.768 3.796 1.00 11.21 C ATOM 1947 C GLY B 44 4.490 2.457 4.869 1.00 73.12 C ATOM 1948 O GLY B 44 4.586 3.164 5.885 1.00 70.44 O ATOM 0 H GLY B 44 3.221 1.590 2.061 1.00 11.53 H new ATOM 0 HA2 GLY B 44 3.236 3.841 3.788 1.00 11.21 H new ATOM 0 HA3 GLY B 44 2.491 2.281 4.074 1.00 11.21 H new ATOM 1952 N TRP B 45 5.287 1.394 4.644 1.00 23.32 N ATOM 1953 CA TRP B 45 6.463 1.066 5.492 1.00 51.51 C ATOM 1954 C TRP B 45 7.624 2.074 5.251 1.00 63.30 C ATOM 1955 O TRP B 45 8.467 2.291 6.120 1.00 3.10 O ATOM 1956 CB TRP B 45 6.927 -0.386 5.206 1.00 62.43 C ATOM 1957 CG TRP B 45 8.067 -0.882 6.083 1.00 32.03 C ATOM 1958 CD1 TRP B 45 9.407 -0.866 5.803 1.00 61.31 C ATOM 1959 CD2 TRP B 45 7.952 -1.451 7.392 1.00 32.31 C ATOM 1960 NE1 TRP B 45 10.115 -1.420 6.834 1.00 14.21 N ATOM 1961 CE2 TRP B 45 9.248 -1.787 7.820 1.00 44.25 C ATOM 1962 CE3 TRP B 45 6.873 -1.721 8.233 1.00 3.34 C ATOM 1963 CZ2 TRP B 45 9.498 -2.379 9.055 1.00 51.12 C ATOM 1964 CZ3 TRP B 45 7.124 -2.303 9.464 1.00 21.21 C ATOM 1965 CH2 TRP B 45 8.426 -2.630 9.863 1.00 34.14 C ATOM 0 H TRP B 45 5.140 0.739 3.876 1.00 23.32 H new ATOM 0 HA TRP B 45 6.171 1.144 6.539 1.00 51.51 H new ATOM 0 HB2 TRP B 45 6.075 -1.055 5.331 1.00 62.43 H new ATOM 0 HB3 TRP B 45 7.235 -0.454 4.163 1.00 62.43 H new ATOM 0 HD1 TRP B 45 9.843 -0.472 4.897 1.00 61.31 H new ATOM 0 HE1 TRP B 45 11.128 -1.539 6.861 1.00 14.21 H new ATOM 0 HE3 TRP B 45 5.864 -1.482 7.931 1.00 3.34 H new ATOM 0 HZ2 TRP B 45 10.502 -2.630 9.363 1.00 51.12 H new ATOM 0 HZ3 TRP B 45 6.299 -2.509 10.130 1.00 21.21 H new ATOM 0 HH2 TRP B 45 8.585 -3.089 10.827 1.00 34.14 H new ATOM 1976 N LEU B 46 7.685 2.659 4.049 1.00 65.34 N ATOM 1977 CA LEU B 46 8.589 3.798 3.758 1.00 2.04 C ATOM 1978 C LEU B 46 8.068 5.096 4.426 1.00 13.01 C ATOM 1979 O LEU B 46 8.852 5.937 4.881 1.00 50.44 O ATOM 1980 CB LEU B 46 8.729 3.978 2.224 1.00 35.03 C ATOM 1981 CG LEU B 46 9.202 2.709 1.446 1.00 42.01 C ATOM 1982 CD1 LEU B 46 9.256 2.963 -0.075 1.00 62.44 C ATOM 1983 CD2 LEU B 46 10.558 2.204 1.989 1.00 62.33 C ATOM 0 H LEU B 46 7.119 2.366 3.253 1.00 65.34 H new ATOM 0 HA LEU B 46 9.573 3.585 4.175 1.00 2.04 H new ATOM 0 HB2 LEU B 46 7.766 4.293 1.822 1.00 35.03 H new ATOM 0 HB3 LEU B 46 9.435 4.786 2.032 1.00 35.03 H new ATOM 0 HG LEU B 46 8.465 1.923 1.611 1.00 42.01 H new ATOM 0 HD11 LEU B 46 9.589 2.058 -0.583 1.00 62.44 H new ATOM 0 HD12 LEU B 46 8.264 3.236 -0.434 1.00 62.44 H new ATOM 0 HD13 LEU B 46 9.953 3.774 -0.284 1.00 62.44 H new ATOM 0 HD21 LEU B 46 10.867 1.320 1.432 1.00 62.33 H new ATOM 0 HD22 LEU B 46 11.309 2.985 1.875 1.00 62.33 H new ATOM 0 HD23 LEU B 46 10.456 1.950 3.044 1.00 62.33 H new ATOM 1995 N ALA B 47 6.726 5.237 4.453 1.00 10.11 N ATOM 1996 CA ALA B 47 6.013 6.371 5.094 1.00 21.11 C ATOM 1997 C ALA B 47 6.204 6.442 6.636 1.00 44.55 C ATOM 1998 O ALA B 47 6.094 7.540 7.209 1.00 62.41 O ATOM 1999 CB ALA B 47 4.520 6.330 4.730 1.00 43.11 C ATOM 0 H ALA B 47 6.095 4.559 4.025 1.00 10.11 H new ATOM 0 HA ALA B 47 6.463 7.282 4.699 1.00 21.11 H new ATOM 0 HB1 ALA B 47 4.007 7.166 5.205 1.00 43.11 H new ATOM 0 HB2 ALA B 47 4.407 6.402 3.648 1.00 43.11 H new ATOM 0 HB3 ALA B 47 4.086 5.393 5.078 1.00 43.11 H new ATOM 2005 N ARG B 48 6.467 5.289 7.321 1.00 72.20 N ATOM 2006 CA ARG B 48 6.826 5.306 8.772 1.00 4.34 C ATOM 2007 C ARG B 48 8.156 6.097 8.992 1.00 30.21 C ATOM 2008 O ARG B 48 8.317 6.810 9.985 1.00 74.03 O ATOM 2009 CB ARG B 48 6.945 3.857 9.368 1.00 12.30 C ATOM 2010 CG ARG B 48 8.272 3.156 9.040 1.00 40.53 C ATOM 2011 CD ARG B 48 8.436 1.738 9.589 1.00 72.41 C ATOM 2012 NE ARG B 48 9.758 1.214 9.187 1.00 43.22 N ATOM 2013 CZ ARG B 48 10.669 0.710 9.987 1.00 11.25 C ATOM 2014 NH1 ARG B 48 10.428 0.507 11.245 1.00 22.30 N ATOM 2015 NH2 ARG B 48 11.818 0.383 9.497 1.00 45.45 N ATOM 0 H ARG B 48 6.438 4.359 6.904 1.00 72.20 H new ATOM 0 HA ARG B 48 6.018 5.809 9.303 1.00 4.34 H new ATOM 0 HB2 ARG B 48 6.831 3.910 10.451 1.00 12.30 H new ATOM 0 HB3 ARG B 48 6.122 3.251 8.990 1.00 12.30 H new ATOM 0 HG2 ARG B 48 8.382 3.119 7.956 1.00 40.53 H new ATOM 0 HG3 ARG B 48 9.088 3.769 9.423 1.00 40.53 H new ATOM 0 HD2 ARG B 48 8.348 1.743 10.675 1.00 72.41 H new ATOM 0 HD3 ARG B 48 7.644 1.093 9.208 1.00 72.41 H new ATOM 0 HE ARG B 48 9.984 1.247 8.193 1.00 43.22 H new ATOM 0 HH11 ARG B 48 9.514 0.740 11.633 1.00 22.30 H new ATOM 0 HH12 ARG B 48 11.152 0.114 11.846 1.00 22.30 H new ATOM 0 HH21 ARG B 48 12.006 0.518 8.504 1.00 45.45 H new ATOM 0 HH22 ARG B 48 12.538 -0.010 10.103 1.00 45.45 H new ATOM 2029 N GLU B 49 9.084 5.961 8.015 1.00 32.10 N ATOM 2030 CA GLU B 49 10.426 6.590 8.029 1.00 13.13 C ATOM 2031 C GLU B 49 10.431 7.949 7.276 1.00 34.21 C ATOM 2032 O GLU B 49 11.453 8.645 7.268 1.00 31.11 O ATOM 2033 CB GLU B 49 11.447 5.601 7.388 1.00 11.33 C ATOM 2034 CG GLU B 49 11.650 4.281 8.173 1.00 40.03 C ATOM 2035 CD GLU B 49 12.386 3.186 7.375 1.00 73.53 C ATOM 2036 OE1 GLU B 49 13.604 3.331 7.137 1.00 62.24 O ATOM 2037 OE2 GLU B 49 11.748 2.187 6.962 1.00 53.52 O ATOM 0 H GLU B 49 8.917 5.400 7.179 1.00 32.10 H new ATOM 0 HA GLU B 49 10.708 6.800 9.061 1.00 13.13 H new ATOM 0 HB2 GLU B 49 11.114 5.360 6.379 1.00 11.33 H new ATOM 0 HB3 GLU B 49 12.410 6.104 7.294 1.00 11.33 H new ATOM 0 HG2 GLU B 49 12.212 4.493 9.083 1.00 40.03 H new ATOM 0 HG3 GLU B 49 10.677 3.900 8.481 1.00 40.03 H new ATOM 2044 N ASN B 50 9.288 8.287 6.623 1.00 51.43 N ATOM 2045 CA ASN B 50 9.069 9.571 5.899 1.00 23.33 C ATOM 2046 C ASN B 50 10.058 9.728 4.692 1.00 40.22 C ATOM 2047 O ASN B 50 10.435 10.837 4.305 1.00 61.53 O ATOM 2048 CB ASN B 50 9.149 10.769 6.914 1.00 23.50 C ATOM 2049 CG ASN B 50 8.496 12.065 6.411 1.00 72.02 C ATOM 2050 OD1 ASN B 50 7.307 12.296 6.617 1.00 21.34 O ATOM 2051 ND2 ASN B 50 9.258 12.921 5.757 1.00 52.13 N ATOM 0 H ASN B 50 8.479 7.667 6.583 1.00 51.43 H new ATOM 0 HA ASN B 50 8.070 9.570 5.463 1.00 23.33 H new ATOM 0 HB2 ASN B 50 8.670 10.473 7.847 1.00 23.50 H new ATOM 0 HB3 ASN B 50 10.196 10.968 7.142 1.00 23.50 H new ATOM 0 HD21 ASN B 50 8.862 13.795 5.411 1.00 52.13 H new ATOM 0 HD22 ASN B 50 10.243 12.709 5.597 1.00 52.13 H new ATOM 2058 N LYS B 51 10.444 8.584 4.079 1.00 31.24 N ATOM 2059 CA LYS B 51 11.420 8.546 2.955 1.00 41.23 C ATOM 2060 C LYS B 51 10.756 8.777 1.572 1.00 44.44 C ATOM 2061 O LYS B 51 11.454 8.878 0.552 1.00 15.55 O ATOM 2062 CB LYS B 51 12.168 7.191 2.950 1.00 40.43 C ATOM 2063 CG LYS B 51 12.996 6.918 4.223 1.00 44.53 C ATOM 2064 CD LYS B 51 13.742 5.563 4.178 1.00 25.24 C ATOM 2065 CE LYS B 51 12.799 4.372 3.927 1.00 44.32 C ATOM 2066 NZ LYS B 51 13.491 3.072 4.067 1.00 50.34 N ATOM 0 H LYS B 51 10.092 7.664 4.345 1.00 31.24 H new ATOM 0 HA LYS B 51 12.121 9.365 3.118 1.00 41.23 H new ATOM 0 HB2 LYS B 51 11.441 6.389 2.824 1.00 40.43 H new ATOM 0 HB3 LYS B 51 12.831 7.159 2.086 1.00 40.43 H new ATOM 0 HG2 LYS B 51 13.720 7.721 4.358 1.00 44.53 H new ATOM 0 HG3 LYS B 51 12.336 6.935 5.090 1.00 44.53 H new ATOM 0 HD2 LYS B 51 14.497 5.595 3.392 1.00 25.24 H new ATOM 0 HD3 LYS B 51 14.269 5.412 5.120 1.00 25.24 H new ATOM 0 HE2 LYS B 51 11.966 4.416 4.629 1.00 44.32 H new ATOM 0 HE3 LYS B 51 12.376 4.450 2.925 1.00 44.32 H new ATOM 0 HZ1 LYS B 51 12.891 2.316 3.680 1.00 50.34 H new ATOM 0 HZ2 LYS B 51 14.391 3.100 3.547 1.00 50.34 H new ATOM 0 HZ3 LYS B 51 13.678 2.885 5.073 1.00 50.34 H new ATOM 2080 N VAL B 52 9.411 8.843 1.537 1.00 12.42 N ATOM 2081 CA VAL B 52 8.640 9.037 0.287 1.00 34.40 C ATOM 2082 C VAL B 52 7.690 10.254 0.365 1.00 50.42 C ATOM 2083 O VAL B 52 7.151 10.583 1.427 1.00 43.41 O ATOM 2084 CB VAL B 52 7.811 7.745 -0.096 1.00 53.31 C ATOM 2085 CG1 VAL B 52 8.749 6.584 -0.501 1.00 51.32 C ATOM 2086 CG2 VAL B 52 6.853 7.313 1.055 1.00 63.43 C ATOM 0 H VAL B 52 8.827 8.764 2.370 1.00 12.42 H new ATOM 0 HA VAL B 52 9.378 9.228 -0.492 1.00 34.40 H new ATOM 0 HB VAL B 52 7.193 7.998 -0.957 1.00 53.31 H new ATOM 0 HG11 VAL B 52 8.154 5.708 -0.759 1.00 51.32 H new ATOM 0 HG12 VAL B 52 9.347 6.883 -1.362 1.00 51.32 H new ATOM 0 HG13 VAL B 52 9.408 6.341 0.332 1.00 51.32 H new ATOM 0 HG21 VAL B 52 6.301 6.422 0.754 1.00 63.43 H new ATOM 0 HG22 VAL B 52 7.435 7.094 1.950 1.00 63.43 H new ATOM 0 HG23 VAL B 52 6.152 8.120 1.267 1.00 63.43 H new ATOM 2096 N VAL B 53 7.528 10.917 -0.790 1.00 45.24 N ATOM 2097 CA VAL B 53 6.483 11.929 -1.048 1.00 42.42 C ATOM 2098 C VAL B 53 5.613 11.439 -2.233 1.00 41.53 C ATOM 2099 O VAL B 53 6.136 11.032 -3.275 1.00 24.21 O ATOM 2100 CB VAL B 53 7.092 13.365 -1.341 1.00 23.12 C ATOM 2101 CG1 VAL B 53 7.598 14.035 -0.033 1.00 42.30 C ATOM 2102 CG2 VAL B 53 8.232 13.296 -2.391 1.00 71.34 C ATOM 0 H VAL B 53 8.135 10.762 -1.595 1.00 45.24 H new ATOM 0 HA VAL B 53 5.871 12.040 -0.153 1.00 42.42 H new ATOM 0 HB VAL B 53 6.291 13.978 -1.754 1.00 23.12 H new ATOM 0 HG11 VAL B 53 8.010 15.017 -0.263 1.00 42.30 H new ATOM 0 HG12 VAL B 53 6.768 14.144 0.665 1.00 42.30 H new ATOM 0 HG13 VAL B 53 8.372 13.414 0.418 1.00 42.30 H new ATOM 0 HG21 VAL B 53 8.626 14.297 -2.567 1.00 71.34 H new ATOM 0 HG22 VAL B 53 9.030 12.652 -2.020 1.00 71.34 H new ATOM 0 HG23 VAL B 53 7.843 12.890 -3.325 1.00 71.34 H new ATOM 2112 N ILE B 54 4.290 11.425 -2.055 1.00 20.21 N ATOM 2113 CA ILE B 54 3.351 10.849 -3.044 1.00 3.43 C ATOM 2114 C ILE B 54 2.543 11.960 -3.741 1.00 10.01 C ATOM 2115 O ILE B 54 2.122 12.930 -3.104 1.00 15.23 O ATOM 2116 CB ILE B 54 2.395 9.812 -2.343 1.00 41.12 C ATOM 2117 CG1 ILE B 54 3.247 8.684 -1.664 1.00 31.02 C ATOM 2118 CG2 ILE B 54 1.347 9.221 -3.332 1.00 33.11 C ATOM 2119 CD1 ILE B 54 2.447 7.657 -0.892 1.00 4.33 C ATOM 0 H ILE B 54 3.832 11.809 -1.228 1.00 20.21 H new ATOM 0 HA ILE B 54 3.926 10.326 -3.808 1.00 3.43 H new ATOM 0 HB ILE B 54 1.827 10.336 -1.574 1.00 41.12 H new ATOM 0 HG12 ILE B 54 3.823 8.170 -2.434 1.00 31.02 H new ATOM 0 HG13 ILE B 54 3.964 9.148 -0.987 1.00 31.02 H new ATOM 0 HG21 ILE B 54 0.709 8.511 -2.805 1.00 33.11 H new ATOM 0 HG22 ILE B 54 0.735 10.027 -3.738 1.00 33.11 H new ATOM 0 HG23 ILE B 54 1.862 8.711 -4.146 1.00 33.11 H new ATOM 0 HD11 ILE B 54 3.123 6.919 -0.460 1.00 4.33 H new ATOM 0 HD12 ILE B 54 1.892 8.152 -0.095 1.00 4.33 H new ATOM 0 HD13 ILE B 54 1.749 7.159 -1.565 1.00 4.33 H new ATOM 2131 N GLU B 55 2.372 11.828 -5.069 1.00 23.35 N ATOM 2132 CA GLU B 55 1.573 12.762 -5.890 1.00 23.04 C ATOM 2133 C GLU B 55 0.667 11.960 -6.853 1.00 5.01 C ATOM 2134 O GLU B 55 1.157 11.100 -7.594 1.00 44.20 O ATOM 2135 CB GLU B 55 2.505 13.716 -6.700 1.00 25.15 C ATOM 2136 CG GLU B 55 3.483 14.550 -5.845 1.00 31.00 C ATOM 2137 CD GLU B 55 4.331 15.531 -6.671 1.00 21.44 C ATOM 2138 OE1 GLU B 55 5.426 15.149 -7.147 1.00 14.12 O ATOM 2139 OE2 GLU B 55 3.895 16.691 -6.859 1.00 62.55 O ATOM 0 H GLU B 55 2.786 11.067 -5.608 1.00 23.35 H new ATOM 0 HA GLU B 55 0.952 13.368 -5.230 1.00 23.04 H new ATOM 0 HB2 GLU B 55 3.081 13.122 -7.409 1.00 25.15 H new ATOM 0 HB3 GLU B 55 1.885 14.396 -7.284 1.00 25.15 H new ATOM 0 HG2 GLU B 55 2.917 15.109 -5.100 1.00 31.00 H new ATOM 0 HG3 GLU B 55 4.146 13.876 -5.302 1.00 31.00 H new ATOM 2146 N ARG B 56 -0.656 12.225 -6.828 1.00 32.04 N ATOM 2147 CA ARG B 56 -1.619 11.616 -7.778 1.00 22.40 C ATOM 2148 C ARG B 56 -2.115 12.670 -8.804 1.00 55.44 C ATOM 2149 O ARG B 56 -2.738 13.674 -8.447 1.00 21.21 O ATOM 2150 CB ARG B 56 -2.783 10.908 -7.017 1.00 15.51 C ATOM 2151 CG ARG B 56 -3.533 11.766 -5.982 1.00 21.22 C ATOM 2152 CD ARG B 56 -4.453 10.933 -5.059 1.00 4.31 C ATOM 2153 NE ARG B 56 -3.690 9.940 -4.271 1.00 52.33 N ATOM 2154 CZ ARG B 56 -2.955 10.207 -3.203 1.00 54.25 C ATOM 2155 NH1 ARG B 56 -2.937 11.392 -2.668 1.00 12.04 N ATOM 2156 NH2 ARG B 56 -2.248 9.271 -2.656 1.00 42.04 N ATOM 0 H ARG B 56 -1.087 12.861 -6.157 1.00 32.04 H new ATOM 0 HA ARG B 56 -1.110 10.839 -8.349 1.00 22.40 H new ATOM 0 HB2 ARG B 56 -3.504 10.547 -7.751 1.00 15.51 H new ATOM 0 HB3 ARG B 56 -2.379 10.032 -6.509 1.00 15.51 H new ATOM 0 HG2 ARG B 56 -2.808 12.306 -5.372 1.00 21.22 H new ATOM 0 HG3 ARG B 56 -4.131 12.514 -6.503 1.00 21.22 H new ATOM 0 HD2 ARG B 56 -4.988 11.599 -4.383 1.00 4.31 H new ATOM 0 HD3 ARG B 56 -5.203 10.420 -5.661 1.00 4.31 H new ATOM 0 HE ARG B 56 -3.734 8.968 -4.576 1.00 52.33 H new ATOM 0 HH11 ARG B 56 -3.498 12.142 -3.071 1.00 12.04 H new ATOM 0 HH12 ARG B 56 -2.362 11.571 -1.845 1.00 12.04 H new ATOM 0 HH21 ARG B 56 -2.258 8.329 -3.048 1.00 42.04 H new ATOM 0 HH22 ARG B 56 -1.681 9.475 -1.833 1.00 42.04 H new ATOM 2170 N LYS B 57 -1.768 12.429 -10.082 1.00 13.24 N ATOM 2171 CA LYS B 57 -2.043 13.342 -11.224 1.00 40.32 C ATOM 2172 C LYS B 57 -3.050 12.668 -12.181 1.00 51.31 C ATOM 2173 O LYS B 57 -2.803 11.544 -12.617 1.00 62.51 O ATOM 2174 CB LYS B 57 -0.732 13.675 -12.015 1.00 43.34 C ATOM 2175 CG LYS B 57 0.332 14.548 -11.288 1.00 74.42 C ATOM 2176 CD LYS B 57 1.059 13.846 -10.110 1.00 34.41 C ATOM 2177 CE LYS B 57 1.747 12.523 -10.511 1.00 33.50 C ATOM 2178 NZ LYS B 57 2.754 12.708 -11.582 1.00 35.22 N ATOM 0 H LYS B 57 -1.279 11.579 -10.363 1.00 13.24 H new ATOM 0 HA LYS B 57 -2.453 14.271 -10.828 1.00 40.32 H new ATOM 0 HB2 LYS B 57 -0.261 12.734 -12.300 1.00 43.34 H new ATOM 0 HB3 LYS B 57 -1.013 14.183 -12.938 1.00 43.34 H new ATOM 0 HG2 LYS B 57 1.077 14.869 -12.016 1.00 74.42 H new ATOM 0 HG3 LYS B 57 -0.154 15.448 -10.911 1.00 74.42 H new ATOM 0 HD2 LYS B 57 1.806 14.525 -9.699 1.00 34.41 H new ATOM 0 HD3 LYS B 57 0.339 13.646 -9.317 1.00 34.41 H new ATOM 0 HE2 LYS B 57 2.229 12.088 -9.635 1.00 33.50 H new ATOM 0 HE3 LYS B 57 0.992 11.812 -10.846 1.00 33.50 H new ATOM 0 HZ1 LYS B 57 2.838 11.831 -12.134 1.00 35.22 H new ATOM 0 HZ2 LYS B 57 2.457 13.484 -12.207 1.00 35.22 H new ATOM 0 HZ3 LYS B 57 3.675 12.939 -11.157 1.00 35.22 H new ATOM 2192 N ASN B 58 -4.163 13.369 -12.507 1.00 22.40 N ATOM 2193 CA ASN B 58 -5.287 12.832 -13.337 1.00 21.13 C ATOM 2194 C ASN B 58 -5.932 11.575 -12.681 1.00 14.32 C ATOM 2195 O ASN B 58 -6.498 10.717 -13.369 1.00 64.11 O ATOM 2196 CB ASN B 58 -4.795 12.509 -14.784 1.00 54.04 C ATOM 2197 CG ASN B 58 -4.188 13.709 -15.517 1.00 4.14 C ATOM 2198 OD1 ASN B 58 -4.578 14.857 -15.317 1.00 31.41 O ATOM 2199 ND2 ASN B 58 -3.218 13.451 -16.375 1.00 20.40 N ATOM 0 H ASN B 58 -4.314 14.331 -12.203 1.00 22.40 H new ATOM 0 HA ASN B 58 -6.055 13.604 -13.395 1.00 21.13 H new ATOM 0 HB2 ASN B 58 -4.053 11.712 -14.735 1.00 54.04 H new ATOM 0 HB3 ASN B 58 -5.634 12.127 -15.366 1.00 54.04 H new ATOM 0 HD21 ASN B 58 -2.775 14.213 -16.889 1.00 20.40 H new ATOM 0 HD22 ASN B 58 -2.911 12.490 -16.524 1.00 20.40 H new ATOM 2206 N GLY B 59 -5.878 11.508 -11.332 1.00 34.14 N ATOM 2207 CA GLY B 59 -6.306 10.314 -10.578 1.00 44.34 C ATOM 2208 C GLY B 59 -5.217 9.218 -10.472 1.00 65.05 C ATOM 2209 O GLY B 59 -5.282 8.358 -9.589 1.00 31.10 O ATOM 0 H GLY B 59 -5.541 12.270 -10.744 1.00 34.14 H new ATOM 0 HA2 GLY B 59 -6.602 10.617 -9.574 1.00 44.34 H new ATOM 0 HA3 GLY B 59 -7.189 9.891 -11.057 1.00 44.34 H new ATOM 2213 N LEU B 60 -4.206 9.275 -11.366 1.00 1.15 N ATOM 2214 CA LEU B 60 -3.116 8.272 -11.453 1.00 34.41 C ATOM 2215 C LEU B 60 -2.069 8.516 -10.346 1.00 20.40 C ATOM 2216 O LEU B 60 -1.356 9.528 -10.366 1.00 10.43 O ATOM 2217 CB LEU B 60 -2.432 8.357 -12.851 1.00 60.33 C ATOM 2218 CG LEU B 60 -1.312 7.300 -13.136 1.00 20.40 C ATOM 2219 CD1 LEU B 60 -1.904 5.883 -13.301 1.00 62.25 C ATOM 2220 CD2 LEU B 60 -0.449 7.709 -14.357 1.00 25.03 C ATOM 0 H LEU B 60 -4.121 10.023 -12.054 1.00 1.15 H new ATOM 0 HA LEU B 60 -3.544 7.279 -11.318 1.00 34.41 H new ATOM 0 HB2 LEU B 60 -3.202 8.256 -13.616 1.00 60.33 H new ATOM 0 HB3 LEU B 60 -2.001 9.352 -12.962 1.00 60.33 H new ATOM 0 HG LEU B 60 -0.653 7.274 -12.269 1.00 20.40 H new ATOM 0 HD11 LEU B 60 -1.100 5.174 -13.498 1.00 62.25 H new ATOM 0 HD12 LEU B 60 -2.424 5.597 -12.387 1.00 62.25 H new ATOM 0 HD13 LEU B 60 -2.606 5.877 -14.135 1.00 62.25 H new ATOM 0 HD21 LEU B 60 0.319 6.955 -14.529 1.00 25.03 H new ATOM 0 HD22 LEU B 60 -1.083 7.789 -15.240 1.00 25.03 H new ATOM 0 HD23 LEU B 60 0.024 8.671 -14.162 1.00 25.03 H new ATOM 2232 N ILE B 61 -1.983 7.591 -9.379 1.00 4.45 N ATOM 2233 CA ILE B 61 -1.089 7.741 -8.216 1.00 22.23 C ATOM 2234 C ILE B 61 0.342 7.286 -8.562 1.00 71.10 C ATOM 2235 O ILE B 61 0.555 6.147 -9.002 1.00 40.51 O ATOM 2236 CB ILE B 61 -1.608 6.943 -6.963 1.00 74.12 C ATOM 2237 CG1 ILE B 61 -3.137 7.182 -6.765 1.00 25.00 C ATOM 2238 CG2 ILE B 61 -0.813 7.339 -5.687 1.00 2.54 C ATOM 2239 CD1 ILE B 61 -3.733 6.506 -5.550 1.00 13.41 C ATOM 0 H ILE B 61 -2.524 6.726 -9.378 1.00 4.45 H new ATOM 0 HA ILE B 61 -1.080 8.801 -7.962 1.00 22.23 H new ATOM 0 HB ILE B 61 -1.447 5.879 -7.139 1.00 74.12 H new ATOM 0 HG12 ILE B 61 -3.316 8.255 -6.691 1.00 25.00 H new ATOM 0 HG13 ILE B 61 -3.663 6.832 -7.653 1.00 25.00 H new ATOM 0 HG21 ILE B 61 -1.190 6.775 -4.834 1.00 2.54 H new ATOM 0 HG22 ILE B 61 0.244 7.115 -5.833 1.00 2.54 H new ATOM 0 HG23 ILE B 61 -0.935 8.406 -5.499 1.00 2.54 H new ATOM 0 HD11 ILE B 61 -4.799 6.729 -5.496 1.00 13.41 H new ATOM 0 HD12 ILE B 61 -3.591 5.428 -5.627 1.00 13.41 H new ATOM 0 HD13 ILE B 61 -3.239 6.873 -4.650 1.00 13.41 H new ATOM 2251 N GLU B 62 1.315 8.184 -8.337 1.00 50.20 N ATOM 2252 CA GLU B 62 2.747 7.921 -8.587 1.00 65.12 C ATOM 2253 C GLU B 62 3.567 8.245 -7.326 1.00 34.54 C ATOM 2254 O GLU B 62 3.246 9.187 -6.586 1.00 11.11 O ATOM 2255 CB GLU B 62 3.280 8.738 -9.801 1.00 22.23 C ATOM 2256 CG GLU B 62 2.507 8.510 -11.121 1.00 74.51 C ATOM 2257 CD GLU B 62 3.316 8.878 -12.378 1.00 50.44 C ATOM 2258 OE1 GLU B 62 3.481 10.083 -12.670 1.00 73.15 O ATOM 2259 OE2 GLU B 62 3.811 7.957 -13.067 1.00 44.43 O ATOM 0 H GLU B 62 1.132 9.120 -7.974 1.00 50.20 H new ATOM 0 HA GLU B 62 2.856 6.864 -8.829 1.00 65.12 H new ATOM 0 HB2 GLU B 62 3.243 9.799 -9.552 1.00 22.23 H new ATOM 0 HB3 GLU B 62 4.328 8.484 -9.961 1.00 22.23 H new ATOM 0 HG2 GLU B 62 2.211 7.463 -11.183 1.00 74.51 H new ATOM 0 HG3 GLU B 62 1.591 9.100 -11.103 1.00 74.51 H new ATOM 2266 N ILE B 63 4.636 7.472 -7.096 1.00 31.41 N ATOM 2267 CA ILE B 63 5.485 7.598 -5.896 1.00 3.31 C ATOM 2268 C ILE B 63 6.847 8.268 -6.226 1.00 43.04 C ATOM 2269 O ILE B 63 7.425 8.067 -7.306 1.00 4.41 O ATOM 2270 CB ILE B 63 5.640 6.198 -5.148 1.00 0.04 C ATOM 2271 CG1 ILE B 63 5.872 4.989 -6.133 1.00 14.31 C ATOM 2272 CG2 ILE B 63 4.393 5.925 -4.264 1.00 15.41 C ATOM 2273 CD1 ILE B 63 7.219 4.939 -6.826 1.00 23.11 C ATOM 0 H ILE B 63 4.940 6.739 -7.736 1.00 31.41 H new ATOM 0 HA ILE B 63 4.984 8.267 -5.196 1.00 3.31 H new ATOM 0 HB ILE B 63 6.532 6.275 -4.527 1.00 0.04 H new ATOM 0 HG12 ILE B 63 5.739 4.062 -5.575 1.00 14.31 H new ATOM 0 HG13 ILE B 63 5.095 5.015 -6.897 1.00 14.31 H new ATOM 0 HG21 ILE B 63 4.509 4.967 -3.758 1.00 15.41 H new ATOM 0 HG22 ILE B 63 4.292 6.717 -3.522 1.00 15.41 H new ATOM 0 HG23 ILE B 63 3.501 5.899 -4.891 1.00 15.41 H new ATOM 0 HD11 ILE B 63 7.261 4.065 -7.477 1.00 23.11 H new ATOM 0 HD12 ILE B 63 7.356 5.842 -7.421 1.00 23.11 H new ATOM 0 HD13 ILE B 63 8.010 4.874 -6.079 1.00 23.11 H new ATOM 2285 N TYR B 64 7.307 9.124 -5.299 1.00 0.31 N ATOM 2286 CA TYR B 64 8.567 9.893 -5.419 1.00 10.05 C ATOM 2287 C TYR B 64 9.375 9.757 -4.104 1.00 33.25 C ATOM 2288 O TYR B 64 8.803 9.463 -3.052 1.00 44.01 O ATOM 2289 CB TYR B 64 8.255 11.397 -5.688 1.00 64.44 C ATOM 2290 CG TYR B 64 7.437 11.677 -6.965 1.00 73.02 C ATOM 2291 CD1 TYR B 64 6.041 11.548 -6.973 1.00 34.43 C ATOM 2292 CD2 TYR B 64 8.057 12.045 -8.163 1.00 13.40 C ATOM 2293 CE1 TYR B 64 5.303 11.780 -8.120 1.00 71.11 C ATOM 2294 CE2 TYR B 64 7.318 12.278 -9.310 1.00 35.43 C ATOM 2295 CZ TYR B 64 5.945 12.139 -9.284 1.00 2.01 C ATOM 2296 OH TYR B 64 5.216 12.351 -10.436 1.00 63.31 O ATOM 0 H TYR B 64 6.809 9.308 -4.428 1.00 0.31 H new ATOM 0 HA TYR B 64 9.149 9.500 -6.252 1.00 10.05 H new ATOM 0 HB2 TYR B 64 7.712 11.798 -4.832 1.00 64.44 H new ATOM 0 HB3 TYR B 64 9.197 11.942 -5.752 1.00 64.44 H new ATOM 0 HD1 TYR B 64 5.531 11.262 -6.065 1.00 34.43 H new ATOM 0 HD2 TYR B 64 9.132 12.149 -8.194 1.00 13.40 H new ATOM 0 HE1 TYR B 64 4.228 11.680 -8.102 1.00 71.11 H new ATOM 0 HE2 TYR B 64 7.815 12.568 -10.224 1.00 35.43 H new ATOM 0 HH TYR B 64 5.822 12.598 -11.166 1.00 63.31 H new ATOM 2306 N ASN B 65 10.699 9.965 -4.166 1.00 23.33 N ATOM 2307 CA ASN B 65 11.580 9.952 -2.966 1.00 21.11 C ATOM 2308 C ASN B 65 11.948 11.398 -2.550 1.00 32.03 C ATOM 2309 O ASN B 65 11.985 12.299 -3.395 1.00 4.34 O ATOM 2310 CB ASN B 65 12.854 9.104 -3.247 1.00 44.54 C ATOM 2311 CG ASN B 65 13.724 9.618 -4.403 1.00 13.41 C ATOM 2312 OD1 ASN B 65 13.272 10.337 -5.281 1.00 12.23 O ATOM 2313 ND2 ASN B 65 14.970 9.208 -4.437 1.00 10.24 N ATOM 0 H ASN B 65 11.196 10.147 -5.038 1.00 23.33 H new ATOM 0 HA ASN B 65 11.043 9.493 -2.136 1.00 21.11 H new ATOM 0 HB2 ASN B 65 13.459 9.071 -2.341 1.00 44.54 H new ATOM 0 HB3 ASN B 65 12.552 8.080 -3.465 1.00 44.54 H new ATOM 0 HD21 ASN B 65 15.579 9.489 -5.206 1.00 10.24 H new ATOM 0 HD22 ASN B 65 15.330 8.608 -3.695 1.00 10.24 H new ATOM 2320 N GLU B 66 12.247 11.611 -1.256 1.00 33.42 N ATOM 2321 CA GLU B 66 12.675 12.947 -0.742 1.00 73.13 C ATOM 2322 C GLU B 66 14.134 13.300 -1.161 1.00 22.34 C ATOM 2323 O GLU B 66 14.527 14.471 -1.111 1.00 65.34 O ATOM 2324 CB GLU B 66 12.474 13.051 0.812 1.00 54.44 C ATOM 2325 CG GLU B 66 12.801 11.782 1.646 1.00 61.45 C ATOM 2326 CD GLU B 66 14.226 11.227 1.472 1.00 32.22 C ATOM 2327 OE1 GLU B 66 15.165 11.757 2.108 1.00 0.00 O ATOM 2328 OE2 GLU B 66 14.422 10.276 0.671 1.00 15.24 O ATOM 0 H GLU B 66 12.204 10.885 -0.541 1.00 33.42 H new ATOM 0 HA GLU B 66 12.029 13.691 -1.208 1.00 73.13 H new ATOM 0 HB2 GLU B 66 13.093 13.869 1.181 1.00 54.44 H new ATOM 0 HB3 GLU B 66 11.436 13.325 1.003 1.00 54.44 H new ATOM 0 HG2 GLU B 66 12.644 12.010 2.700 1.00 61.45 H new ATOM 0 HG3 GLU B 66 12.090 11.000 1.380 1.00 61.45 H new