USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=19 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+ -177:sc= 1.79 (180deg=0.833) USER MOD Set 1.2: B 64 TYR OH : rot 87:sc= 0.916 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.952 K(o=2,f=-2.5) USER MOD Set 2.2: B 3 LYS NZ :NH3+ 176:sc= 1.08 (180deg=-0.0396) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0521 (180deg=-0.254) USER MOD Single : A 15 HIS : no HE2:sc= 0.0861 K(o=0.086,f=-0.53) USER MOD Single : A 18 ASN : amide:sc= -0.0684 X(o=-0.068,f=0.35) USER MOD Single : A 24 SER OG : rot -44:sc= 0.356 USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= -0.495 (180deg=-0.579) USER MOD Single : A 33 ASN : amide:sc= -0.0699 X(o=-0.07,f=-0.16) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -8:sc= -0.185 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.732 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.947 (180deg=0.891) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0161 K(o=-0.016,f=-4.5!) USER MOD Single : B 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0728) USER MOD Single : B 9 ASN : amide:sc= -0.0444 K(o=-0.044,f=-2!) USER MOD Single : B 12 LYS NZ :NH3+ 166:sc= -0.039 (180deg=-0.246) USER MOD Single : B 15 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -114:sc= 0.0548 (180deg=-1.03) USER MOD Single : B 33 ASN : amide:sc=-0.000317 X(o=-0.00032,f=-0.043) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.286 USER MOD Single : B 39 THR OG1 : rot 74:sc= 0.678 USER MOD Single : B 50 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.62) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -4.09! C(o=-4.1!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.363 13.518 5.526 1.00 65.11 N ATOM 55 CA LYS A 4 -2.563 13.082 6.299 1.00 20.24 C ATOM 56 C LYS A 4 -3.687 12.499 5.394 1.00 23.04 C ATOM 57 O LYS A 4 -4.680 11.978 5.917 1.00 10.44 O ATOM 58 CB LYS A 4 -3.104 14.195 7.246 1.00 50.25 C ATOM 59 CG LYS A 4 -3.801 15.388 6.562 1.00 44.13 C ATOM 60 CD LYS A 4 -4.415 16.386 7.573 1.00 63.31 C ATOM 61 CE LYS A 4 -3.366 17.006 8.519 1.00 42.23 C ATOM 62 NZ LYS A 4 -3.992 17.899 9.528 1.00 3.52 N ATOM 0 HA LYS A 4 -2.220 12.265 6.934 1.00 20.24 H new ATOM 0 HB2 LYS A 4 -3.808 13.740 7.943 1.00 50.25 H new ATOM 0 HB3 LYS A 4 -2.272 14.577 7.837 1.00 50.25 H new ATOM 0 HG2 LYS A 4 -3.081 15.912 5.934 1.00 44.13 H new ATOM 0 HG3 LYS A 4 -4.586 15.015 5.904 1.00 44.13 H new ATOM 0 HD2 LYS A 4 -4.921 17.183 7.027 1.00 63.31 H new ATOM 0 HD3 LYS A 4 -5.173 15.874 8.165 1.00 63.31 H new ATOM 0 HE2 LYS A 4 -2.819 16.211 9.026 1.00 42.23 H new ATOM 0 HE3 LYS A 4 -2.639 17.571 7.935 1.00 42.23 H new ATOM 0 HZ1 LYS A 4 -3.255 18.296 10.145 1.00 3.52 H new ATOM 0 HZ2 LYS A 4 -4.493 18.672 9.045 1.00 3.52 H new ATOM 0 HZ3 LYS A 4 -4.667 17.355 10.102 1.00 3.52 H new ATOM 76 N ILE A 5 -3.558 12.663 4.046 1.00 54.25 N ATOM 77 CA ILE A 5 -4.378 11.921 3.042 1.00 32.50 C ATOM 78 C ILE A 5 -4.478 10.411 3.406 1.00 43.44 C ATOM 79 O ILE A 5 -5.569 9.891 3.622 1.00 63.32 O ATOM 80 CB ILE A 5 -3.779 12.035 1.571 1.00 21.43 C ATOM 81 CG1 ILE A 5 -3.736 13.511 1.062 1.00 2.41 C ATOM 82 CG2 ILE A 5 -4.554 11.139 0.560 1.00 34.51 C ATOM 83 CD1 ILE A 5 -3.053 13.712 -0.302 1.00 23.13 C ATOM 0 H ILE A 5 -2.888 13.308 3.627 1.00 54.25 H new ATOM 0 HA ILE A 5 -5.366 12.382 3.062 1.00 32.50 H new ATOM 0 HB ILE A 5 -2.753 11.673 1.633 1.00 21.43 H new ATOM 0 HG12 ILE A 5 -4.757 13.887 0.998 1.00 2.41 H new ATOM 0 HG13 ILE A 5 -3.218 14.120 1.803 1.00 2.41 H new ATOM 0 HG21 ILE A 5 -4.114 11.245 -0.432 1.00 34.51 H new ATOM 0 HG22 ILE A 5 -4.492 10.097 0.875 1.00 34.51 H new ATOM 0 HG23 ILE A 5 -5.599 11.446 0.528 1.00 34.51 H new ATOM 0 HD11 ILE A 5 -3.074 14.769 -0.567 1.00 23.13 H new ATOM 0 HD12 ILE A 5 -2.019 13.373 -0.244 1.00 23.13 H new ATOM 0 HD13 ILE A 5 -3.582 13.137 -1.062 1.00 23.13 H new ATOM 95 N VAL A 6 -3.312 9.730 3.487 1.00 3.12 N ATOM 96 CA VAL A 6 -3.246 8.274 3.769 1.00 64.41 C ATOM 97 C VAL A 6 -3.752 7.921 5.194 1.00 44.33 C ATOM 98 O VAL A 6 -4.234 6.811 5.421 1.00 31.40 O ATOM 99 CB VAL A 6 -1.798 7.697 3.543 1.00 23.03 C ATOM 100 CG1 VAL A 6 -1.347 7.889 2.071 1.00 12.35 C ATOM 101 CG2 VAL A 6 -0.774 8.320 4.525 1.00 12.22 C ATOM 0 H VAL A 6 -2.399 10.167 3.361 1.00 3.12 H new ATOM 0 HA VAL A 6 -3.918 7.800 3.054 1.00 64.41 H new ATOM 0 HB VAL A 6 -1.837 6.627 3.749 1.00 23.03 H new ATOM 0 HG11 VAL A 6 -0.344 7.482 1.942 1.00 12.35 H new ATOM 0 HG12 VAL A 6 -2.038 7.368 1.408 1.00 12.35 H new ATOM 0 HG13 VAL A 6 -1.342 8.951 1.828 1.00 12.35 H new ATOM 0 HG21 VAL A 6 0.213 7.897 4.338 1.00 12.22 H new ATOM 0 HG22 VAL A 6 -0.740 9.400 4.379 1.00 12.22 H new ATOM 0 HG23 VAL A 6 -1.074 8.102 5.550 1.00 12.22 H new ATOM 111 N GLY A 7 -3.639 8.878 6.141 1.00 44.40 N ATOM 112 CA GLY A 7 -4.208 8.724 7.493 1.00 54.14 C ATOM 113 C GLY A 7 -5.744 8.709 7.492 1.00 54.23 C ATOM 114 O GLY A 7 -6.373 7.893 8.181 1.00 61.13 O ATOM 0 H GLY A 7 -3.158 9.765 5.991 1.00 44.40 H new ATOM 0 HA2 GLY A 7 -3.840 7.798 7.934 1.00 54.14 H new ATOM 0 HA3 GLY A 7 -3.857 9.540 8.125 1.00 54.14 H new ATOM 118 N ALA A 8 -6.331 9.620 6.693 1.00 2.42 N ATOM 119 CA ALA A 8 -7.796 9.725 6.492 1.00 34.34 C ATOM 120 C ALA A 8 -8.355 8.478 5.755 1.00 35.14 C ATOM 121 O ALA A 8 -9.407 7.937 6.121 1.00 61.34 O ATOM 122 CB ALA A 8 -8.113 11.003 5.693 1.00 21.11 C ATOM 0 H ALA A 8 -5.801 10.311 6.163 1.00 2.42 H new ATOM 0 HA ALA A 8 -8.277 9.775 7.469 1.00 34.34 H new ATOM 0 HB1 ALA A 8 -9.190 11.081 5.544 1.00 21.11 H new ATOM 0 HB2 ALA A 8 -7.758 11.874 6.244 1.00 21.11 H new ATOM 0 HB3 ALA A 8 -7.615 10.959 4.724 1.00 21.11 H new ATOM 128 N ASN A 9 -7.623 8.047 4.706 1.00 65.13 N ATOM 129 CA ASN A 9 -7.936 6.832 3.918 1.00 22.21 C ATOM 130 C ASN A 9 -7.920 5.568 4.806 1.00 72.22 C ATOM 131 O ASN A 9 -8.875 4.788 4.808 1.00 62.13 O ATOM 132 CB ASN A 9 -6.920 6.673 2.744 1.00 34.14 C ATOM 133 CG ASN A 9 -7.078 7.723 1.637 1.00 1.13 C ATOM 134 OD1 ASN A 9 -7.528 8.841 1.862 1.00 44.53 O ATOM 135 ND2 ASN A 9 -6.701 7.364 0.423 1.00 40.51 N ATOM 0 H ASN A 9 -6.790 8.536 4.378 1.00 65.13 H new ATOM 0 HA ASN A 9 -8.940 6.947 3.510 1.00 22.21 H new ATOM 0 HB2 ASN A 9 -5.907 6.730 3.143 1.00 34.14 H new ATOM 0 HB3 ASN A 9 -7.036 5.680 2.309 1.00 34.14 H new ATOM 0 HD21 ASN A 9 -6.781 8.023 -0.352 1.00 40.51 H new ATOM 0 HD22 ASN A 9 -6.329 6.428 0.260 1.00 40.51 H new ATOM 142 N ALA A 10 -6.857 5.430 5.616 1.00 63.20 N ATOM 143 CA ALA A 10 -6.613 4.231 6.446 1.00 40.13 C ATOM 144 C ALA A 10 -7.595 4.135 7.634 1.00 20.40 C ATOM 145 O ALA A 10 -7.922 3.033 8.083 1.00 21.21 O ATOM 146 CB ALA A 10 -5.165 4.239 6.946 1.00 13.33 C ATOM 0 H ALA A 10 -6.139 6.147 5.716 1.00 63.20 H new ATOM 0 HA ALA A 10 -6.781 3.352 5.823 1.00 40.13 H new ATOM 0 HB1 ALA A 10 -4.986 3.355 7.558 1.00 13.33 H new ATOM 0 HB2 ALA A 10 -4.486 4.234 6.094 1.00 13.33 H new ATOM 0 HB3 ALA A 10 -4.991 5.134 7.543 1.00 13.33 H new ATOM 152 N GLY A 11 -8.054 5.301 8.131 1.00 72.12 N ATOM 153 CA GLY A 11 -9.075 5.354 9.189 1.00 31.41 C ATOM 154 C GLY A 11 -10.404 4.717 8.767 1.00 5.45 C ATOM 155 O GLY A 11 -11.043 4.001 9.547 1.00 20.20 O ATOM 0 H GLY A 11 -7.732 6.216 7.815 1.00 72.12 H new ATOM 0 HA2 GLY A 11 -8.699 4.844 10.076 1.00 31.41 H new ATOM 0 HA3 GLY A 11 -9.248 6.393 9.468 1.00 31.41 H new ATOM 159 N LYS A 12 -10.804 4.977 7.507 1.00 63.13 N ATOM 160 CA LYS A 12 -12.026 4.403 6.901 1.00 54.11 C ATOM 161 C LYS A 12 -11.831 2.910 6.501 1.00 4.31 C ATOM 162 O LYS A 12 -12.756 2.100 6.646 1.00 22.35 O ATOM 163 CB LYS A 12 -12.465 5.252 5.678 1.00 55.43 C ATOM 164 CG LYS A 12 -13.824 4.838 5.072 1.00 30.34 C ATOM 165 CD LYS A 12 -14.307 5.791 3.958 1.00 44.33 C ATOM 166 CE LYS A 12 -15.700 5.412 3.424 1.00 61.34 C ATOM 167 NZ LYS A 12 -16.721 5.377 4.504 1.00 61.02 N ATOM 0 H LYS A 12 -10.289 5.592 6.877 1.00 63.13 H new ATOM 0 HA LYS A 12 -12.816 4.431 7.652 1.00 54.11 H new ATOM 0 HB2 LYS A 12 -12.518 6.299 5.977 1.00 55.43 H new ATOM 0 HB3 LYS A 12 -11.699 5.179 4.906 1.00 55.43 H new ATOM 0 HG2 LYS A 12 -13.742 3.829 4.668 1.00 30.34 H new ATOM 0 HG3 LYS A 12 -14.573 4.805 5.863 1.00 30.34 H new ATOM 0 HD2 LYS A 12 -14.333 6.811 4.342 1.00 44.33 H new ATOM 0 HD3 LYS A 12 -13.590 5.778 3.137 1.00 44.33 H new ATOM 0 HE2 LYS A 12 -16.003 6.130 2.662 1.00 61.34 H new ATOM 0 HE3 LYS A 12 -15.650 4.436 2.941 1.00 61.34 H new ATOM 0 HZ1 LYS A 12 -17.671 5.337 4.083 1.00 61.02 H new ATOM 0 HZ2 LYS A 12 -16.570 4.536 5.097 1.00 61.02 H new ATOM 0 HZ3 LYS A 12 -16.637 6.233 5.089 1.00 61.02 H new ATOM 181 N VAL A 13 -10.621 2.564 5.993 1.00 65.51 N ATOM 182 CA VAL A 13 -10.257 1.168 5.611 1.00 1.33 C ATOM 183 C VAL A 13 -10.316 0.210 6.828 1.00 0.01 C ATOM 184 O VAL A 13 -10.942 -0.857 6.768 1.00 12.31 O ATOM 185 CB VAL A 13 -8.836 1.118 4.916 1.00 50.21 C ATOM 186 CG1 VAL A 13 -8.330 -0.335 4.708 1.00 51.12 C ATOM 187 CG2 VAL A 13 -8.864 1.874 3.561 1.00 1.52 C ATOM 0 H VAL A 13 -9.871 3.238 5.836 1.00 65.51 H new ATOM 0 HA VAL A 13 -10.997 0.825 4.888 1.00 1.33 H new ATOM 0 HB VAL A 13 -8.136 1.613 5.590 1.00 50.21 H new ATOM 0 HG11 VAL A 13 -7.352 -0.314 4.228 1.00 51.12 H new ATOM 0 HG12 VAL A 13 -8.250 -0.834 5.674 1.00 51.12 H new ATOM 0 HG13 VAL A 13 -9.033 -0.878 4.076 1.00 51.12 H new ATOM 0 HG21 VAL A 13 -7.878 1.828 3.099 1.00 1.52 H new ATOM 0 HG22 VAL A 13 -9.596 1.410 2.900 1.00 1.52 H new ATOM 0 HG23 VAL A 13 -9.137 2.915 3.731 1.00 1.52 H new ATOM 197 N TRP A 14 -9.688 0.638 7.937 1.00 65.33 N ATOM 198 CA TRP A 14 -9.657 -0.134 9.202 1.00 3.15 C ATOM 199 C TRP A 14 -11.069 -0.257 9.820 1.00 12.02 C ATOM 200 O TRP A 14 -11.433 -1.312 10.340 1.00 63.05 O ATOM 201 CB TRP A 14 -8.671 0.508 10.209 1.00 11.32 C ATOM 202 CG TRP A 14 -8.313 -0.382 11.385 1.00 12.35 C ATOM 203 CD1 TRP A 14 -7.432 -1.429 11.399 1.00 73.23 C ATOM 204 CD2 TRP A 14 -8.830 -0.287 12.710 1.00 23.12 C ATOM 205 NE1 TRP A 14 -7.392 -1.992 12.647 1.00 32.00 N ATOM 206 CE2 TRP A 14 -8.237 -1.305 13.472 1.00 65.40 C ATOM 207 CE3 TRP A 14 -9.745 0.567 13.314 1.00 72.45 C ATOM 208 CZ2 TRP A 14 -8.532 -1.489 14.818 1.00 45.24 C ATOM 209 CZ3 TRP A 14 -10.041 0.392 14.653 1.00 22.44 C ATOM 210 CH2 TRP A 14 -9.434 -0.633 15.395 1.00 22.42 C ATOM 0 H TRP A 14 -9.188 1.525 7.987 1.00 65.33 H new ATOM 0 HA TRP A 14 -9.307 -1.140 8.971 1.00 3.15 H new ATOM 0 HB2 TRP A 14 -7.756 0.779 9.682 1.00 11.32 H new ATOM 0 HB3 TRP A 14 -9.107 1.433 10.587 1.00 11.32 H new ATOM 0 HD1 TRP A 14 -6.853 -1.763 10.550 1.00 73.23 H new ATOM 0 HE1 TRP A 14 -6.823 -2.795 12.917 1.00 32.00 H new ATOM 0 HE3 TRP A 14 -10.217 1.355 12.746 1.00 72.45 H new ATOM 0 HZ2 TRP A 14 -8.067 -2.279 15.389 1.00 45.24 H new ATOM 0 HZ3 TRP A 14 -10.748 1.052 15.134 1.00 22.44 H new ATOM 0 HH2 TRP A 14 -9.682 -0.750 16.440 1.00 22.42 H new ATOM 221 N HIS A 15 -11.860 0.833 9.737 1.00 53.43 N ATOM 222 CA HIS A 15 -13.276 0.845 10.180 1.00 10.24 C ATOM 223 C HIS A 15 -14.122 -0.186 9.382 1.00 61.11 C ATOM 224 O HIS A 15 -14.988 -0.858 9.946 1.00 62.34 O ATOM 225 CB HIS A 15 -13.871 2.267 10.023 1.00 31.24 C ATOM 226 CG HIS A 15 -15.289 2.398 10.514 1.00 61.11 C ATOM 227 ND1 HIS A 15 -16.388 2.228 9.697 1.00 24.45 N ATOM 228 CD2 HIS A 15 -15.788 2.660 11.748 1.00 12.20 C ATOM 229 CE1 HIS A 15 -17.488 2.375 10.401 1.00 12.13 C ATOM 230 NE2 HIS A 15 -17.155 2.635 11.646 1.00 52.11 N ATOM 0 H HIS A 15 -11.540 1.727 9.364 1.00 53.43 H new ATOM 0 HA HIS A 15 -13.306 0.561 11.232 1.00 10.24 H new ATOM 0 HB2 HIS A 15 -13.243 2.974 10.566 1.00 31.24 H new ATOM 0 HB3 HIS A 15 -13.834 2.550 8.971 1.00 31.24 H new ATOM 0 HD1 HIS A 15 -16.352 2.020 8.699 1.00 24.45 H new ATOM 0 HD2 HIS A 15 -15.215 2.852 12.643 1.00 12.20 H new ATOM 0 HE1 HIS A 15 -18.496 2.296 10.021 1.00 12.13 H new ATOM 239 N ALA A 16 -13.837 -0.305 8.069 1.00 44.34 N ATOM 240 CA ALA A 16 -14.516 -1.274 7.168 1.00 75.12 C ATOM 241 C ALA A 16 -14.121 -2.742 7.479 1.00 61.33 C ATOM 242 O ALA A 16 -14.837 -3.675 7.098 1.00 11.35 O ATOM 243 CB ALA A 16 -14.225 -0.933 5.700 1.00 70.30 C ATOM 0 H ALA A 16 -13.133 0.264 7.599 1.00 44.34 H new ATOM 0 HA ALA A 16 -15.588 -1.188 7.347 1.00 75.12 H new ATOM 0 HB1 ALA A 16 -14.729 -1.651 5.053 1.00 70.30 H new ATOM 0 HB2 ALA A 16 -14.589 0.071 5.481 1.00 70.30 H new ATOM 0 HB3 ALA A 16 -13.150 -0.976 5.523 1.00 70.30 H new ATOM 249 N LEU A 17 -12.943 -2.928 8.110 1.00 53.43 N ATOM 250 CA LEU A 17 -12.520 -4.233 8.682 1.00 2.51 C ATOM 251 C LEU A 17 -13.356 -4.596 9.938 1.00 64.22 C ATOM 252 O LEU A 17 -13.789 -5.743 10.086 1.00 32.21 O ATOM 253 CB LEU A 17 -11.013 -4.201 9.041 1.00 12.14 C ATOM 254 CG LEU A 17 -10.041 -3.880 7.865 1.00 61.24 C ATOM 255 CD1 LEU A 17 -8.608 -3.682 8.381 1.00 13.42 C ATOM 256 CD2 LEU A 17 -10.104 -4.965 6.762 1.00 32.24 C ATOM 0 H LEU A 17 -12.257 -2.184 8.239 1.00 53.43 H new ATOM 0 HA LEU A 17 -12.692 -4.999 7.926 1.00 2.51 H new ATOM 0 HB2 LEU A 17 -10.862 -3.459 9.825 1.00 12.14 H new ATOM 0 HB3 LEU A 17 -10.738 -5.169 9.460 1.00 12.14 H new ATOM 0 HG LEU A 17 -10.365 -2.944 7.410 1.00 61.24 H new ATOM 0 HD11 LEU A 17 -7.947 -3.459 7.543 1.00 13.42 H new ATOM 0 HD12 LEU A 17 -8.588 -2.854 9.090 1.00 13.42 H new ATOM 0 HD13 LEU A 17 -8.271 -4.592 8.877 1.00 13.42 H new ATOM 0 HD21 LEU A 17 -9.413 -4.708 5.959 1.00 32.24 H new ATOM 0 HD22 LEU A 17 -9.825 -5.930 7.185 1.00 32.24 H new ATOM 0 HD23 LEU A 17 -11.117 -5.022 6.365 1.00 32.24 H new ATOM 268 N ASN A 18 -13.560 -3.610 10.845 1.00 51.00 N ATOM 269 CA ASN A 18 -14.432 -3.778 12.049 1.00 73.35 C ATOM 270 C ASN A 18 -15.897 -4.095 11.648 1.00 24.42 C ATOM 271 O ASN A 18 -16.615 -4.801 12.367 1.00 22.21 O ATOM 272 CB ASN A 18 -14.392 -2.513 12.938 1.00 14.12 C ATOM 273 CG ASN A 18 -13.004 -2.224 13.508 1.00 52.40 C ATOM 274 OD1 ASN A 18 -12.229 -1.489 12.929 1.00 42.03 O ATOM 275 ND2 ASN A 18 -12.688 -2.794 14.651 1.00 23.32 N ATOM 0 H ASN A 18 -13.135 -2.686 10.771 1.00 51.00 H new ATOM 0 HA ASN A 18 -14.042 -4.622 12.617 1.00 73.35 H new ATOM 0 HB2 ASN A 18 -14.724 -1.655 12.354 1.00 14.12 H new ATOM 0 HB3 ASN A 18 -15.098 -2.631 13.760 1.00 14.12 H new ATOM 0 HD21 ASN A 18 -11.774 -2.623 15.071 1.00 23.32 H new ATOM 0 HD22 ASN A 18 -13.357 -3.407 15.117 1.00 23.32 H new ATOM 282 N GLU A 19 -16.331 -3.534 10.504 1.00 2.33 N ATOM 283 CA GLU A 19 -17.615 -3.882 9.865 1.00 12.24 C ATOM 284 C GLU A 19 -17.571 -5.331 9.306 1.00 1.03 C ATOM 285 O GLU A 19 -18.443 -6.153 9.618 1.00 32.33 O ATOM 286 CB GLU A 19 -17.929 -2.886 8.721 1.00 63.23 C ATOM 287 CG GLU A 19 -18.130 -1.417 9.144 1.00 50.45 C ATOM 288 CD GLU A 19 -18.346 -0.483 7.937 1.00 4.33 C ATOM 289 OE1 GLU A 19 -19.372 -0.634 7.246 1.00 63.23 O ATOM 290 OE2 GLU A 19 -17.496 0.398 7.667 1.00 64.42 O ATOM 0 H GLU A 19 -15.801 -2.826 9.996 1.00 2.33 H new ATOM 0 HA GLU A 19 -18.401 -3.821 10.617 1.00 12.24 H new ATOM 0 HB2 GLU A 19 -17.116 -2.927 7.996 1.00 63.23 H new ATOM 0 HB3 GLU A 19 -18.830 -3.223 8.209 1.00 63.23 H new ATOM 0 HG2 GLU A 19 -18.989 -1.348 9.812 1.00 50.45 H new ATOM 0 HG3 GLU A 19 -17.260 -1.082 9.708 1.00 50.45 H new ATOM 297 N ALA A 20 -16.530 -5.628 8.495 1.00 63.45 N ATOM 298 CA ALA A 20 -16.344 -6.955 7.850 1.00 52.21 C ATOM 299 C ALA A 20 -14.909 -7.097 7.255 1.00 12.24 C ATOM 300 O ALA A 20 -14.608 -6.531 6.200 1.00 3.41 O ATOM 301 CB ALA A 20 -17.413 -7.172 6.752 1.00 63.34 C ATOM 0 H ALA A 20 -15.795 -4.958 8.268 1.00 63.45 H new ATOM 0 HA ALA A 20 -16.465 -7.723 8.614 1.00 52.21 H new ATOM 0 HB1 ALA A 20 -17.265 -8.147 6.288 1.00 63.34 H new ATOM 0 HB2 ALA A 20 -18.407 -7.129 7.198 1.00 63.34 H new ATOM 0 HB3 ALA A 20 -17.321 -6.393 5.996 1.00 63.34 H new ATOM 307 N ASP A 21 -14.020 -7.830 7.956 1.00 64.34 N ATOM 308 CA ASP A 21 -12.633 -8.109 7.496 1.00 4.23 C ATOM 309 C ASP A 21 -12.548 -9.499 6.812 1.00 33.10 C ATOM 310 O ASP A 21 -13.573 -10.163 6.611 1.00 14.45 O ATOM 311 CB ASP A 21 -11.648 -8.016 8.690 1.00 72.02 C ATOM 312 CG ASP A 21 -11.773 -9.191 9.665 1.00 42.34 C ATOM 313 OD1 ASP A 21 -12.699 -9.190 10.500 1.00 5.52 O ATOM 314 OD2 ASP A 21 -10.961 -10.131 9.568 1.00 62.43 O ATOM 0 H ASP A 21 -14.239 -8.249 8.860 1.00 64.34 H new ATOM 0 HA ASP A 21 -12.352 -7.358 6.757 1.00 4.23 H new ATOM 0 HB2 ASP A 21 -10.628 -7.975 8.309 1.00 72.02 H new ATOM 0 HB3 ASP A 21 -11.825 -7.085 9.228 1.00 72.02 H new ATOM 319 N GLY A 22 -11.320 -9.917 6.439 1.00 13.43 N ATOM 320 CA GLY A 22 -11.097 -11.227 5.806 1.00 32.02 C ATOM 321 C GLY A 22 -11.507 -11.212 4.345 1.00 75.41 C ATOM 322 O GLY A 22 -12.233 -12.092 3.861 1.00 20.25 O ATOM 0 H GLY A 22 -10.472 -9.365 6.566 1.00 13.43 H new ATOM 0 HA2 GLY A 22 -10.044 -11.498 5.887 1.00 32.02 H new ATOM 0 HA3 GLY A 22 -11.665 -11.991 6.337 1.00 32.02 H new ATOM 326 N ILE A 23 -11.005 -10.191 3.645 1.00 32.21 N ATOM 327 CA ILE A 23 -11.516 -9.768 2.336 1.00 64.23 C ATOM 328 C ILE A 23 -10.353 -9.399 1.383 1.00 53.50 C ATOM 329 O ILE A 23 -9.225 -9.163 1.826 1.00 41.33 O ATOM 330 CB ILE A 23 -12.507 -8.553 2.554 1.00 21.34 C ATOM 331 CG1 ILE A 23 -13.246 -8.155 1.245 1.00 50.55 C ATOM 332 CG2 ILE A 23 -11.784 -7.333 3.187 1.00 72.20 C ATOM 333 CD1 ILE A 23 -14.255 -7.031 1.398 1.00 22.43 C ATOM 0 H ILE A 23 -10.222 -9.627 3.975 1.00 32.21 H new ATOM 0 HA ILE A 23 -12.057 -10.588 1.863 1.00 64.23 H new ATOM 0 HB ILE A 23 -13.267 -8.891 3.259 1.00 21.34 H new ATOM 0 HG12 ILE A 23 -12.505 -7.860 0.502 1.00 50.55 H new ATOM 0 HG13 ILE A 23 -13.759 -9.033 0.853 1.00 50.55 H new ATOM 0 HG21 ILE A 23 -12.495 -6.518 3.322 1.00 72.20 H new ATOM 0 HG22 ILE A 23 -11.370 -7.617 4.154 1.00 72.20 H new ATOM 0 HG23 ILE A 23 -10.978 -7.006 2.530 1.00 72.20 H new ATOM 0 HD11 ILE A 23 -14.718 -6.824 0.433 1.00 22.43 H new ATOM 0 HD12 ILE A 23 -15.022 -7.326 2.114 1.00 22.43 H new ATOM 0 HD13 ILE A 23 -13.749 -6.135 1.757 1.00 22.43 H new ATOM 345 N SER A 24 -10.618 -9.405 0.068 1.00 4.02 N ATOM 346 CA SER A 24 -9.662 -8.907 -0.939 1.00 53.21 C ATOM 347 C SER A 24 -9.579 -7.359 -0.902 1.00 52.45 C ATOM 348 O SER A 24 -10.579 -6.686 -0.633 1.00 64.52 O ATOM 349 CB SER A 24 -10.078 -9.389 -2.350 1.00 44.14 C ATOM 350 OG SER A 24 -10.156 -10.806 -2.428 1.00 74.23 O ATOM 0 H SER A 24 -11.492 -9.751 -0.327 1.00 4.02 H new ATOM 0 HA SER A 24 -8.675 -9.306 -0.705 1.00 53.21 H new ATOM 0 HB2 SER A 24 -11.045 -8.958 -2.610 1.00 44.14 H new ATOM 0 HB3 SER A 24 -9.359 -9.025 -3.084 1.00 44.14 H new ATOM 0 HG SER A 24 -9.376 -11.201 -1.985 1.00 74.23 H new ATOM 356 N ILE A 25 -8.378 -6.819 -1.179 1.00 1.44 N ATOM 357 CA ILE A 25 -8.120 -5.359 -1.261 1.00 10.24 C ATOM 358 C ILE A 25 -9.057 -4.624 -2.299 1.00 52.42 C ATOM 359 O ILE A 25 -9.600 -3.571 -1.959 1.00 14.22 O ATOM 360 CB ILE A 25 -6.599 -5.071 -1.607 1.00 43.30 C ATOM 361 CG1 ILE A 25 -5.647 -5.737 -0.555 1.00 12.04 C ATOM 362 CG2 ILE A 25 -6.319 -3.552 -1.745 1.00 74.31 C ATOM 363 CD1 ILE A 25 -4.153 -5.633 -0.877 1.00 5.33 C ATOM 0 H ILE A 25 -7.548 -7.385 -1.355 1.00 1.44 H new ATOM 0 HA ILE A 25 -8.351 -4.955 -0.275 1.00 10.24 H new ATOM 0 HB ILE A 25 -6.392 -5.523 -2.577 1.00 43.30 H new ATOM 0 HG12 ILE A 25 -5.827 -5.278 0.417 1.00 12.04 H new ATOM 0 HG13 ILE A 25 -5.911 -6.791 -0.464 1.00 12.04 H new ATOM 0 HG21 ILE A 25 -5.267 -3.396 -1.982 1.00 74.31 H new ATOM 0 HG22 ILE A 25 -6.936 -3.139 -2.543 1.00 74.31 H new ATOM 0 HG23 ILE A 25 -6.557 -3.051 -0.807 1.00 74.31 H new ATOM 0 HD11 ILE A 25 -3.577 -6.122 -0.092 1.00 5.33 H new ATOM 0 HD12 ILE A 25 -3.952 -6.119 -1.832 1.00 5.33 H new ATOM 0 HD13 ILE A 25 -3.866 -4.583 -0.937 1.00 5.33 H new ATOM 375 N PRO A 26 -9.274 -5.145 -3.580 1.00 32.10 N ATOM 376 CA PRO A 26 -10.221 -4.507 -4.552 1.00 22.45 C ATOM 377 C PRO A 26 -11.706 -4.479 -4.084 1.00 53.02 C ATOM 378 O PRO A 26 -12.454 -3.562 -4.436 1.00 24.41 O ATOM 379 CB PRO A 26 -10.052 -5.362 -5.849 1.00 41.11 C ATOM 380 CG PRO A 26 -9.508 -6.670 -5.367 1.00 15.43 C ATOM 381 CD PRO A 26 -8.589 -6.313 -4.220 1.00 2.15 C ATOM 0 HA PRO A 26 -9.984 -3.451 -4.683 1.00 22.45 H new ATOM 0 HB2 PRO A 26 -11.003 -5.494 -6.364 1.00 41.11 H new ATOM 0 HB3 PRO A 26 -9.371 -4.884 -6.553 1.00 41.11 H new ATOM 0 HG2 PRO A 26 -10.308 -7.334 -5.040 1.00 15.43 H new ATOM 0 HG3 PRO A 26 -8.968 -7.189 -6.159 1.00 15.43 H new ATOM 0 HD2 PRO A 26 -8.474 -7.143 -3.523 1.00 2.15 H new ATOM 0 HD3 PRO A 26 -7.591 -6.051 -4.571 1.00 2.15 H new ATOM 389 N GLU A 27 -12.103 -5.470 -3.271 1.00 11.21 N ATOM 390 CA GLU A 27 -13.480 -5.578 -2.726 1.00 4.30 C ATOM 391 C GLU A 27 -13.690 -4.543 -1.609 1.00 63.34 C ATOM 392 O GLU A 27 -14.701 -3.833 -1.545 1.00 62.50 O ATOM 393 CB GLU A 27 -13.708 -7.000 -2.166 1.00 33.45 C ATOM 394 CG GLU A 27 -13.666 -8.128 -3.212 1.00 1.52 C ATOM 395 CD GLU A 27 -14.697 -7.944 -4.341 1.00 20.15 C ATOM 396 OE1 GLU A 27 -15.916 -8.000 -4.058 1.00 11.45 O ATOM 397 OE2 GLU A 27 -14.298 -7.732 -5.507 1.00 72.54 O ATOM 0 H GLU A 27 -11.484 -6.223 -2.968 1.00 11.21 H new ATOM 0 HA GLU A 27 -14.194 -5.385 -3.527 1.00 4.30 H new ATOM 0 HB2 GLU A 27 -12.951 -7.201 -1.407 1.00 33.45 H new ATOM 0 HB3 GLU A 27 -14.676 -7.026 -1.665 1.00 33.45 H new ATOM 0 HG2 GLU A 27 -12.667 -8.177 -3.645 1.00 1.52 H new ATOM 0 HG3 GLU A 27 -13.845 -9.082 -2.716 1.00 1.52 H new ATOM 404 N LEU A 28 -12.688 -4.507 -0.729 1.00 13.12 N ATOM 405 CA LEU A 28 -12.548 -3.536 0.366 1.00 25.31 C ATOM 406 C LEU A 28 -12.511 -2.074 -0.166 1.00 44.13 C ATOM 407 O LEU A 28 -13.094 -1.171 0.440 1.00 11.40 O ATOM 408 CB LEU A 28 -11.244 -3.902 1.110 1.00 72.21 C ATOM 409 CG LEU A 28 -10.767 -2.963 2.246 1.00 73.44 C ATOM 410 CD1 LEU A 28 -11.752 -2.925 3.440 1.00 3.24 C ATOM 411 CD2 LEU A 28 -9.345 -3.367 2.681 1.00 72.11 C ATOM 0 H LEU A 28 -11.920 -5.178 -0.758 1.00 13.12 H new ATOM 0 HA LEU A 28 -13.405 -3.583 1.038 1.00 25.31 H new ATOM 0 HB2 LEU A 28 -11.369 -4.899 1.531 1.00 72.21 H new ATOM 0 HB3 LEU A 28 -10.445 -3.966 0.372 1.00 72.21 H new ATOM 0 HG LEU A 28 -10.741 -1.944 1.859 1.00 73.44 H new ATOM 0 HD11 LEU A 28 -11.368 -2.252 4.207 1.00 3.24 H new ATOM 0 HD12 LEU A 28 -12.724 -2.570 3.098 1.00 3.24 H new ATOM 0 HD13 LEU A 28 -11.858 -3.927 3.856 1.00 3.24 H new ATOM 0 HD21 LEU A 28 -9.008 -2.707 3.480 1.00 72.11 H new ATOM 0 HD22 LEU A 28 -9.353 -4.396 3.039 1.00 72.11 H new ATOM 0 HD23 LEU A 28 -8.667 -3.284 1.831 1.00 72.11 H new ATOM 423 N ALA A 29 -11.837 -1.886 -1.323 1.00 73.22 N ATOM 424 CA ALA A 29 -11.733 -0.581 -2.028 1.00 1.35 C ATOM 425 C ALA A 29 -13.119 0.000 -2.398 1.00 55.41 C ATOM 426 O ALA A 29 -13.340 1.207 -2.311 1.00 73.33 O ATOM 427 CB ALA A 29 -10.861 -0.731 -3.286 1.00 45.41 C ATOM 0 H ALA A 29 -11.344 -2.641 -1.801 1.00 73.22 H new ATOM 0 HA ALA A 29 -11.264 0.125 -1.342 1.00 1.35 H new ATOM 0 HB1 ALA A 29 -10.790 0.230 -3.796 1.00 45.41 H new ATOM 0 HB2 ALA A 29 -9.863 -1.064 -3.000 1.00 45.41 H new ATOM 0 HB3 ALA A 29 -11.311 -1.465 -3.955 1.00 45.41 H new ATOM 433 N ARG A 30 -14.046 -0.894 -2.793 1.00 51.42 N ATOM 434 CA ARG A 30 -15.439 -0.526 -3.140 1.00 12.22 C ATOM 435 C ARG A 30 -16.230 -0.042 -1.899 1.00 30.44 C ATOM 436 O ARG A 30 -17.029 0.895 -1.994 1.00 15.01 O ATOM 437 CB ARG A 30 -16.163 -1.729 -3.796 1.00 1.45 C ATOM 438 CG ARG A 30 -15.531 -2.220 -5.119 1.00 74.13 C ATOM 439 CD ARG A 30 -15.443 -1.111 -6.187 1.00 52.30 C ATOM 440 NE ARG A 30 -14.986 -1.628 -7.490 1.00 44.32 N ATOM 441 CZ ARG A 30 -14.005 -1.129 -8.216 1.00 43.25 C ATOM 442 NH1 ARG A 30 -13.250 -0.161 -7.772 1.00 71.34 N ATOM 443 NH2 ARG A 30 -13.767 -1.632 -9.381 1.00 24.24 N ATOM 0 H ARG A 30 -13.854 -1.892 -2.882 1.00 51.42 H new ATOM 0 HA ARG A 30 -15.395 0.300 -3.850 1.00 12.22 H new ATOM 0 HB2 ARG A 30 -16.178 -2.557 -3.087 1.00 1.45 H new ATOM 0 HB3 ARG A 30 -17.200 -1.452 -3.985 1.00 1.45 H new ATOM 0 HG2 ARG A 30 -14.531 -2.605 -4.918 1.00 74.13 H new ATOM 0 HG3 ARG A 30 -16.119 -3.050 -5.511 1.00 74.13 H new ATOM 0 HD2 ARG A 30 -16.421 -0.645 -6.306 1.00 52.30 H new ATOM 0 HD3 ARG A 30 -14.759 -0.334 -5.846 1.00 52.30 H new ATOM 0 HE ARG A 30 -15.472 -2.444 -7.863 1.00 44.32 H new ATOM 0 HH11 ARG A 30 -13.412 0.227 -6.843 1.00 71.34 H new ATOM 0 HH12 ARG A 30 -12.498 0.207 -8.354 1.00 71.34 H new ATOM 0 HH21 ARG A 30 -14.335 -2.405 -9.728 1.00 24.24 H new ATOM 0 HH22 ARG A 30 -13.011 -1.256 -9.954 1.00 24.24 H new ATOM 457 N LYS A 31 -15.988 -0.694 -0.741 1.00 42.24 N ATOM 458 CA LYS A 31 -16.662 -0.356 0.540 1.00 24.35 C ATOM 459 C LYS A 31 -16.197 1.019 1.076 1.00 12.42 C ATOM 460 O LYS A 31 -16.993 1.796 1.620 1.00 50.43 O ATOM 461 CB LYS A 31 -16.395 -1.457 1.605 1.00 52.31 C ATOM 462 CG LYS A 31 -16.736 -2.897 1.147 1.00 43.35 C ATOM 463 CD LYS A 31 -16.703 -3.922 2.304 1.00 34.31 C ATOM 464 CE LYS A 31 -15.368 -3.941 3.073 1.00 34.42 C ATOM 465 NZ LYS A 31 -15.390 -4.916 4.191 1.00 33.14 N ATOM 0 H LYS A 31 -15.325 -1.465 -0.664 1.00 42.24 H new ATOM 0 HA LYS A 31 -17.733 -0.302 0.344 1.00 24.35 H new ATOM 0 HB2 LYS A 31 -15.344 -1.420 1.890 1.00 52.31 H new ATOM 0 HB3 LYS A 31 -16.976 -1.227 2.499 1.00 52.31 H new ATOM 0 HG2 LYS A 31 -17.726 -2.903 0.692 1.00 43.35 H new ATOM 0 HG3 LYS A 31 -16.029 -3.204 0.376 1.00 43.35 H new ATOM 0 HD2 LYS A 31 -17.511 -3.697 3.001 1.00 34.31 H new ATOM 0 HD3 LYS A 31 -16.896 -4.917 1.903 1.00 34.31 H new ATOM 0 HE2 LYS A 31 -14.558 -4.191 2.388 1.00 34.42 H new ATOM 0 HE3 LYS A 31 -15.159 -2.945 3.463 1.00 34.42 H new ATOM 0 HZ1 LYS A 31 -15.260 -4.414 5.092 1.00 33.14 H new ATOM 0 HZ2 LYS A 31 -16.303 -5.413 4.200 1.00 33.14 H new ATOM 0 HZ3 LYS A 31 -14.622 -5.606 4.065 1.00 33.14 H new ATOM 479 N VAL A 32 -14.893 1.306 0.912 1.00 23.43 N ATOM 480 CA VAL A 32 -14.281 2.579 1.362 1.00 74.42 C ATOM 481 C VAL A 32 -14.304 3.676 0.265 1.00 43.11 C ATOM 482 O VAL A 32 -13.840 4.797 0.502 1.00 62.31 O ATOM 483 CB VAL A 32 -12.818 2.341 1.878 1.00 75.22 C ATOM 484 CG1 VAL A 32 -12.819 1.345 3.058 1.00 53.31 C ATOM 485 CG2 VAL A 32 -11.875 1.858 0.750 1.00 2.53 C ATOM 0 H VAL A 32 -14.233 0.669 0.467 1.00 23.43 H new ATOM 0 HA VAL A 32 -14.891 2.946 2.187 1.00 74.42 H new ATOM 0 HB VAL A 32 -12.433 3.299 2.227 1.00 75.22 H new ATOM 0 HG11 VAL A 32 -11.797 1.190 3.405 1.00 53.31 H new ATOM 0 HG12 VAL A 32 -13.422 1.747 3.873 1.00 53.31 H new ATOM 0 HG13 VAL A 32 -13.239 0.394 2.731 1.00 53.31 H new ATOM 0 HG21 VAL A 32 -10.874 1.706 1.153 1.00 2.53 H new ATOM 0 HG22 VAL A 32 -12.248 0.919 0.341 1.00 2.53 H new ATOM 0 HG23 VAL A 32 -11.838 2.608 -0.040 1.00 2.53 H new ATOM 495 N ASN A 33 -14.834 3.319 -0.936 1.00 3.32 N ATOM 496 CA ASN A 33 -15.026 4.239 -2.102 1.00 43.14 C ATOM 497 C ASN A 33 -13.666 4.702 -2.730 1.00 73.41 C ATOM 498 O ASN A 33 -13.635 5.553 -3.629 1.00 64.55 O ATOM 499 CB ASN A 33 -15.947 5.446 -1.694 1.00 32.12 C ATOM 500 CG ASN A 33 -16.461 6.288 -2.873 1.00 5.12 C ATOM 501 OD1 ASN A 33 -15.869 7.298 -3.252 1.00 70.23 O ATOM 502 ND2 ASN A 33 -17.566 5.874 -3.471 1.00 51.34 N ATOM 0 H ASN A 33 -15.147 2.368 -1.129 1.00 3.32 H new ATOM 0 HA ASN A 33 -15.533 3.684 -2.891 1.00 43.14 H new ATOM 0 HB2 ASN A 33 -16.803 5.061 -1.139 1.00 32.12 H new ATOM 0 HB3 ASN A 33 -15.393 6.095 -1.016 1.00 32.12 H new ATOM 0 HD21 ASN A 33 -17.943 6.395 -4.263 1.00 51.34 H new ATOM 0 HD22 ASN A 33 -18.041 5.034 -3.140 1.00 51.34 H new ATOM 509 N LEU A 34 -12.551 4.081 -2.304 1.00 13.14 N ATOM 510 CA LEU A 34 -11.188 4.442 -2.768 1.00 50.53 C ATOM 511 C LEU A 34 -10.727 3.530 -3.933 1.00 65.33 C ATOM 512 O LEU A 34 -11.358 2.514 -4.238 1.00 2.20 O ATOM 513 CB LEU A 34 -10.173 4.343 -1.591 1.00 61.31 C ATOM 514 CG LEU A 34 -10.510 5.176 -0.312 1.00 21.05 C ATOM 515 CD1 LEU A 34 -9.510 4.882 0.826 1.00 12.22 C ATOM 516 CD2 LEU A 34 -10.582 6.691 -0.621 1.00 14.14 C ATOM 0 H LEU A 34 -12.563 3.316 -1.630 1.00 13.14 H new ATOM 0 HA LEU A 34 -11.224 5.469 -3.131 1.00 50.53 H new ATOM 0 HB2 LEU A 34 -10.085 3.295 -1.303 1.00 61.31 H new ATOM 0 HB3 LEU A 34 -9.195 4.657 -1.956 1.00 61.31 H new ATOM 0 HG LEU A 34 -11.499 4.867 0.027 1.00 21.05 H new ATOM 0 HD11 LEU A 34 -9.771 5.476 1.702 1.00 12.22 H new ATOM 0 HD12 LEU A 34 -9.550 3.823 1.081 1.00 12.22 H new ATOM 0 HD13 LEU A 34 -8.502 5.139 0.500 1.00 12.22 H new ATOM 0 HD21 LEU A 34 -10.818 7.238 0.292 1.00 14.14 H new ATOM 0 HD22 LEU A 34 -9.621 7.029 -1.008 1.00 14.14 H new ATOM 0 HD23 LEU A 34 -11.358 6.874 -1.365 1.00 14.14 H new ATOM 528 N SER A 35 -9.627 3.933 -4.595 1.00 60.23 N ATOM 529 CA SER A 35 -8.896 3.085 -5.567 1.00 73.42 C ATOM 530 C SER A 35 -8.243 1.879 -4.861 1.00 44.24 C ATOM 531 O SER A 35 -7.858 1.981 -3.692 1.00 70.53 O ATOM 532 CB SER A 35 -7.805 3.929 -6.271 1.00 33.21 C ATOM 533 OG SER A 35 -6.999 3.150 -7.149 1.00 55.42 O ATOM 0 H SER A 35 -9.215 4.858 -4.474 1.00 60.23 H new ATOM 0 HA SER A 35 -9.606 2.710 -6.304 1.00 73.42 H new ATOM 0 HB2 SER A 35 -8.279 4.733 -6.834 1.00 33.21 H new ATOM 0 HB3 SER A 35 -7.170 4.398 -5.519 1.00 33.21 H new ATOM 0 HG SER A 35 -6.327 3.724 -7.572 1.00 55.42 H new ATOM 539 N VAL A 36 -8.108 0.746 -5.577 1.00 23.42 N ATOM 540 CA VAL A 36 -7.408 -0.461 -5.058 1.00 13.34 C ATOM 541 C VAL A 36 -5.970 -0.112 -4.599 1.00 13.30 C ATOM 542 O VAL A 36 -5.506 -0.564 -3.553 1.00 52.21 O ATOM 543 CB VAL A 36 -7.347 -1.588 -6.153 1.00 22.14 C ATOM 544 CG1 VAL A 36 -6.666 -2.883 -5.629 1.00 34.10 C ATOM 545 CG2 VAL A 36 -8.756 -1.881 -6.711 1.00 72.35 C ATOM 0 H VAL A 36 -8.474 0.634 -6.522 1.00 23.42 H new ATOM 0 HA VAL A 36 -7.976 -0.826 -4.202 1.00 13.34 H new ATOM 0 HB VAL A 36 -6.725 -1.217 -6.967 1.00 22.14 H new ATOM 0 HG11 VAL A 36 -6.648 -3.631 -6.422 1.00 34.10 H new ATOM 0 HG12 VAL A 36 -5.645 -2.658 -5.320 1.00 34.10 H new ATOM 0 HG13 VAL A 36 -7.226 -3.270 -4.778 1.00 34.10 H new ATOM 0 HG21 VAL A 36 -8.692 -2.663 -7.467 1.00 72.35 H new ATOM 0 HG22 VAL A 36 -9.407 -2.211 -5.901 1.00 72.35 H new ATOM 0 HG23 VAL A 36 -9.165 -0.976 -7.159 1.00 72.35 H new ATOM 555 N GLU A 37 -5.304 0.721 -5.414 1.00 4.22 N ATOM 556 CA GLU A 37 -3.939 1.227 -5.156 1.00 22.42 C ATOM 557 C GLU A 37 -3.866 2.133 -3.889 1.00 63.35 C ATOM 558 O GLU A 37 -2.904 2.044 -3.118 1.00 23.54 O ATOM 559 CB GLU A 37 -3.439 1.974 -6.422 1.00 51.30 C ATOM 560 CG GLU A 37 -3.354 1.075 -7.682 1.00 22.54 C ATOM 561 CD GLU A 37 -2.885 1.823 -8.948 1.00 53.50 C ATOM 562 OE1 GLU A 37 -1.659 2.029 -9.120 1.00 51.31 O ATOM 563 OE2 GLU A 37 -3.748 2.226 -9.766 1.00 61.22 O ATOM 0 H GLU A 37 -5.702 1.070 -6.286 1.00 4.22 H new ATOM 0 HA GLU A 37 -3.286 0.379 -4.947 1.00 22.42 H new ATOM 0 HB2 GLU A 37 -4.107 2.810 -6.627 1.00 51.30 H new ATOM 0 HB3 GLU A 37 -2.454 2.395 -6.220 1.00 51.30 H new ATOM 0 HG2 GLU A 37 -2.669 0.250 -7.483 1.00 22.54 H new ATOM 0 HG3 GLU A 37 -4.334 0.637 -7.872 1.00 22.54 H new ATOM 570 N SER A 38 -4.895 2.984 -3.668 1.00 54.42 N ATOM 571 CA SER A 38 -4.974 3.855 -2.456 1.00 44.42 C ATOM 572 C SER A 38 -5.377 3.058 -1.197 1.00 15.21 C ATOM 573 O SER A 38 -5.043 3.452 -0.077 1.00 65.15 O ATOM 574 CB SER A 38 -5.951 5.041 -2.658 1.00 32.44 C ATOM 575 OG SER A 38 -7.251 4.612 -3.006 1.00 54.44 O ATOM 0 H SER A 38 -5.683 3.091 -4.307 1.00 54.42 H new ATOM 0 HA SER A 38 -3.971 4.254 -2.306 1.00 44.42 H new ATOM 0 HB2 SER A 38 -5.998 5.630 -1.742 1.00 32.44 H new ATOM 0 HB3 SER A 38 -5.566 5.697 -3.439 1.00 32.44 H new ATOM 0 HG SER A 38 -7.242 3.648 -3.180 1.00 54.44 H new ATOM 581 N THR A 39 -6.103 1.947 -1.394 1.00 14.43 N ATOM 582 CA THR A 39 -6.552 1.062 -0.297 1.00 51.34 C ATOM 583 C THR A 39 -5.402 0.141 0.186 1.00 54.21 C ATOM 584 O THR A 39 -5.208 -0.014 1.384 1.00 14.21 O ATOM 585 CB THR A 39 -7.787 0.215 -0.742 1.00 20.33 C ATOM 586 OG1 THR A 39 -8.850 1.099 -1.133 1.00 63.42 O ATOM 587 CG2 THR A 39 -8.301 -0.727 0.363 1.00 24.34 C ATOM 0 H THR A 39 -6.398 1.632 -2.318 1.00 14.43 H new ATOM 0 HA THR A 39 -6.850 1.692 0.541 1.00 51.34 H new ATOM 0 HB THR A 39 -7.464 -0.408 -1.576 1.00 20.33 H new ATOM 0 HG1 THR A 39 -8.639 1.500 -2.002 1.00 63.42 H new ATOM 0 HG21 THR A 39 -9.159 -1.288 -0.007 1.00 24.34 H new ATOM 0 HG22 THR A 39 -7.510 -1.421 0.647 1.00 24.34 H new ATOM 0 HG23 THR A 39 -8.598 -0.140 1.232 1.00 24.34 H new ATOM 595 N ALA A 40 -4.633 -0.440 -0.763 1.00 63.21 N ATOM 596 CA ALA A 40 -3.434 -1.279 -0.451 1.00 23.41 C ATOM 597 C ALA A 40 -2.326 -0.442 0.237 1.00 71.03 C ATOM 598 O ALA A 40 -1.609 -0.928 1.121 1.00 42.11 O ATOM 599 CB ALA A 40 -2.891 -1.921 -1.739 1.00 50.22 C ATOM 0 H ALA A 40 -4.817 -0.347 -1.762 1.00 63.21 H new ATOM 0 HA ALA A 40 -3.740 -2.064 0.240 1.00 23.41 H new ATOM 0 HB1 ALA A 40 -2.018 -2.530 -1.502 1.00 50.22 H new ATOM 0 HB2 ALA A 40 -3.662 -2.550 -2.185 1.00 50.22 H new ATOM 0 HB3 ALA A 40 -2.608 -1.139 -2.444 1.00 50.22 H new ATOM 605 N LEU A 41 -2.203 0.816 -0.213 1.00 11.41 N ATOM 606 CA LEU A 41 -1.358 1.857 0.422 1.00 71.22 C ATOM 607 C LEU A 41 -1.801 2.073 1.895 1.00 61.42 C ATOM 608 O LEU A 41 -0.990 2.017 2.828 1.00 74.12 O ATOM 609 CB LEU A 41 -1.525 3.173 -0.398 1.00 71.43 C ATOM 610 CG LEU A 41 -0.411 4.271 -0.344 1.00 13.25 C ATOM 611 CD1 LEU A 41 -0.919 5.547 -1.046 1.00 62.31 C ATOM 612 CD2 LEU A 41 0.094 4.584 1.083 1.00 62.35 C ATOM 0 H LEU A 41 -2.693 1.151 -1.042 1.00 11.41 H new ATOM 0 HA LEU A 41 -0.312 1.551 0.428 1.00 71.22 H new ATOM 0 HB2 LEU A 41 -1.653 2.891 -1.443 1.00 71.43 H new ATOM 0 HB3 LEU A 41 -2.457 3.639 -0.078 1.00 71.43 H new ATOM 0 HG LEU A 41 0.456 3.873 -0.870 1.00 13.25 H new ATOM 0 HD11 LEU A 41 -0.146 6.314 -1.010 1.00 62.31 H new ATOM 0 HD12 LEU A 41 -1.158 5.320 -2.085 1.00 62.31 H new ATOM 0 HD13 LEU A 41 -1.813 5.910 -0.539 1.00 62.31 H new ATOM 0 HD21 LEU A 41 0.864 5.354 1.036 1.00 62.35 H new ATOM 0 HD22 LEU A 41 -0.737 4.938 1.693 1.00 62.35 H new ATOM 0 HD23 LEU A 41 0.511 3.681 1.528 1.00 62.35 H new ATOM 624 N ALA A 42 -3.112 2.332 2.061 1.00 21.25 N ATOM 625 CA ALA A 42 -3.737 2.595 3.374 1.00 73.52 C ATOM 626 C ALA A 42 -3.604 1.380 4.326 1.00 13.45 C ATOM 627 O ALA A 42 -3.504 1.543 5.543 1.00 3.34 O ATOM 628 CB ALA A 42 -5.205 2.978 3.174 1.00 63.21 C ATOM 0 H ALA A 42 -3.772 2.365 1.284 1.00 21.25 H new ATOM 0 HA ALA A 42 -3.212 3.425 3.846 1.00 73.52 H new ATOM 0 HB1 ALA A 42 -5.666 3.172 4.143 1.00 63.21 H new ATOM 0 HB2 ALA A 42 -5.266 3.875 2.557 1.00 63.21 H new ATOM 0 HB3 ALA A 42 -5.730 2.161 2.680 1.00 63.21 H new ATOM 634 N VAL A 43 -3.592 0.163 3.744 1.00 13.22 N ATOM 635 CA VAL A 43 -3.335 -1.100 4.485 1.00 74.44 C ATOM 636 C VAL A 43 -1.881 -1.132 5.026 1.00 42.21 C ATOM 637 O VAL A 43 -1.644 -1.598 6.141 1.00 24.15 O ATOM 638 CB VAL A 43 -3.636 -2.366 3.582 1.00 43.40 C ATOM 639 CG1 VAL A 43 -3.085 -3.685 4.187 1.00 3.15 C ATOM 640 CG2 VAL A 43 -5.158 -2.502 3.303 1.00 4.14 C ATOM 0 H VAL A 43 -3.760 0.023 2.748 1.00 13.22 H new ATOM 0 HA VAL A 43 -4.014 -1.135 5.337 1.00 74.44 H new ATOM 0 HB VAL A 43 -3.112 -2.200 2.641 1.00 43.40 H new ATOM 0 HG11 VAL A 43 -3.322 -4.517 3.523 1.00 3.15 H new ATOM 0 HG12 VAL A 43 -2.004 -3.609 4.301 1.00 3.15 H new ATOM 0 HG13 VAL A 43 -3.542 -3.857 5.162 1.00 3.15 H new ATOM 0 HG21 VAL A 43 -5.337 -3.379 2.681 1.00 4.14 H new ATOM 0 HG22 VAL A 43 -5.693 -2.611 4.247 1.00 4.14 H new ATOM 0 HG23 VAL A 43 -5.514 -1.611 2.785 1.00 4.14 H new ATOM 650 N GLY A 44 -0.925 -0.612 4.229 1.00 35.44 N ATOM 651 CA GLY A 44 0.470 -0.423 4.682 1.00 44.45 C ATOM 652 C GLY A 44 0.614 0.616 5.812 1.00 62.54 C ATOM 653 O GLY A 44 1.495 0.500 6.675 1.00 63.12 O ATOM 0 H GLY A 44 -1.093 -0.315 3.268 1.00 35.44 H new ATOM 0 HA2 GLY A 44 0.865 -1.379 5.026 1.00 44.45 H new ATOM 0 HA3 GLY A 44 1.080 -0.113 3.834 1.00 44.45 H new ATOM 657 N TRP A 45 -0.269 1.634 5.798 1.00 43.32 N ATOM 658 CA TRP A 45 -0.334 2.681 6.848 1.00 73.10 C ATOM 659 C TRP A 45 -0.951 2.130 8.163 1.00 2.33 C ATOM 660 O TRP A 45 -0.649 2.603 9.259 1.00 74.30 O ATOM 661 CB TRP A 45 -1.153 3.886 6.323 1.00 42.25 C ATOM 662 CG TRP A 45 -1.095 5.118 7.203 1.00 0.12 C ATOM 663 CD1 TRP A 45 -2.047 5.577 8.074 1.00 50.43 C ATOM 664 CD2 TRP A 45 -0.004 6.041 7.292 1.00 24.43 C ATOM 665 NE1 TRP A 45 -1.627 6.741 8.661 1.00 5.44 N ATOM 666 CE2 TRP A 45 -0.378 7.048 8.198 1.00 71.03 C ATOM 667 CE3 TRP A 45 1.245 6.122 6.668 1.00 22.41 C ATOM 668 CZ2 TRP A 45 0.452 8.120 8.504 1.00 41.13 C ATOM 669 CZ3 TRP A 45 2.076 7.183 6.981 1.00 53.20 C ATOM 670 CH2 TRP A 45 1.674 8.176 7.884 1.00 62.22 C ATOM 0 H TRP A 45 -0.961 1.757 5.058 1.00 43.32 H new ATOM 0 HA TRP A 45 0.681 3.005 7.078 1.00 73.10 H new ATOM 0 HB2 TRP A 45 -0.792 4.148 5.328 1.00 42.25 H new ATOM 0 HB3 TRP A 45 -2.194 3.582 6.214 1.00 42.25 H new ATOM 0 HD1 TRP A 45 -2.992 5.092 8.270 1.00 50.43 H new ATOM 0 HE1 TRP A 45 -2.160 7.290 9.335 1.00 5.44 H new ATOM 0 HE3 TRP A 45 1.555 5.371 5.956 1.00 22.41 H new ATOM 0 HZ2 TRP A 45 0.145 8.882 9.205 1.00 41.13 H new ATOM 0 HZ3 TRP A 45 3.051 7.247 6.521 1.00 53.20 H new ATOM 0 HH2 TRP A 45 2.339 9.001 8.096 1.00 62.22 H new ATOM 681 N LEU A 46 -1.863 1.160 8.034 1.00 61.13 N ATOM 682 CA LEU A 46 -2.399 0.392 9.180 1.00 24.21 C ATOM 683 C LEU A 46 -1.361 -0.630 9.708 1.00 31.22 C ATOM 684 O LEU A 46 -1.253 -0.858 10.920 1.00 52.44 O ATOM 685 CB LEU A 46 -3.708 -0.315 8.758 1.00 60.14 C ATOM 686 CG LEU A 46 -4.865 0.628 8.320 1.00 12.44 C ATOM 687 CD1 LEU A 46 -6.080 -0.166 7.795 1.00 43.43 C ATOM 688 CD2 LEU A 46 -5.252 1.590 9.463 1.00 73.04 C ATOM 0 H LEU A 46 -2.255 0.880 7.135 1.00 61.13 H new ATOM 0 HA LEU A 46 -2.613 1.082 9.996 1.00 24.21 H new ATOM 0 HB2 LEU A 46 -3.485 -0.995 7.936 1.00 60.14 H new ATOM 0 HB3 LEU A 46 -4.056 -0.926 9.591 1.00 60.14 H new ATOM 0 HG LEU A 46 -4.506 1.234 7.488 1.00 12.44 H new ATOM 0 HD11 LEU A 46 -6.867 0.527 7.499 1.00 43.43 H new ATOM 0 HD12 LEU A 46 -5.780 -0.763 6.934 1.00 43.43 H new ATOM 0 HD13 LEU A 46 -6.452 -0.823 8.581 1.00 43.43 H new ATOM 0 HD21 LEU A 46 -6.063 2.239 9.133 1.00 73.04 H new ATOM 0 HD22 LEU A 46 -5.578 1.014 10.329 1.00 73.04 H new ATOM 0 HD23 LEU A 46 -4.389 2.197 9.735 1.00 73.04 H new ATOM 700 N ALA A 47 -0.627 -1.257 8.766 1.00 50.32 N ATOM 701 CA ALA A 47 0.449 -2.237 9.057 1.00 20.45 C ATOM 702 C ALA A 47 1.604 -1.615 9.867 1.00 74.11 C ATOM 703 O ALA A 47 2.166 -2.275 10.744 1.00 72.34 O ATOM 704 CB ALA A 47 0.980 -2.857 7.748 1.00 31.42 C ATOM 0 H ALA A 47 -0.764 -1.097 7.768 1.00 50.32 H new ATOM 0 HA ALA A 47 0.012 -3.023 9.673 1.00 20.45 H new ATOM 0 HB1 ALA A 47 1.768 -3.573 7.978 1.00 31.42 H new ATOM 0 HB2 ALA A 47 0.167 -3.366 7.231 1.00 31.42 H new ATOM 0 HB3 ALA A 47 1.380 -2.070 7.109 1.00 31.42 H new ATOM 710 N ARG A 48 1.941 -0.332 9.589 1.00 33.44 N ATOM 711 CA ARG A 48 2.973 0.393 10.366 1.00 74.42 C ATOM 712 C ARG A 48 2.536 0.535 11.859 1.00 53.40 C ATOM 713 O ARG A 48 3.358 0.474 12.772 1.00 34.11 O ATOM 714 CB ARG A 48 3.277 1.790 9.730 1.00 54.15 C ATOM 715 CG ARG A 48 2.297 2.908 10.133 1.00 22.10 C ATOM 716 CD ARG A 48 2.640 4.301 9.587 1.00 32.42 C ATOM 717 NE ARG A 48 1.890 5.348 10.308 1.00 33.03 N ATOM 718 CZ ARG A 48 2.420 6.405 10.894 1.00 44.11 C ATOM 719 NH1 ARG A 48 3.670 6.713 10.719 1.00 11.01 N ATOM 720 NH2 ARG A 48 1.671 7.172 11.609 1.00 41.34 N ATOM 0 H ARG A 48 1.518 0.216 8.840 1.00 33.44 H new ATOM 0 HA ARG A 48 3.894 -0.189 10.337 1.00 74.42 H new ATOM 0 HB2 ARG A 48 4.286 2.091 10.012 1.00 54.15 H new ATOM 0 HB3 ARG A 48 3.266 1.690 8.645 1.00 54.15 H new ATOM 0 HG2 ARG A 48 1.299 2.636 9.790 1.00 22.10 H new ATOM 0 HG3 ARG A 48 2.257 2.961 11.221 1.00 22.10 H new ATOM 0 HD2 ARG A 48 3.710 4.481 9.686 1.00 32.42 H new ATOM 0 HD3 ARG A 48 2.406 4.347 8.523 1.00 32.42 H new ATOM 0 HE ARG A 48 0.876 5.246 10.358 1.00 33.03 H new ATOM 0 HH11 ARG A 48 4.259 6.134 10.120 1.00 11.01 H new ATOM 0 HH12 ARG A 48 4.062 7.534 11.180 1.00 11.01 H new ATOM 0 HH21 ARG A 48 0.679 6.959 11.717 1.00 41.34 H new ATOM 0 HH22 ARG A 48 2.070 7.992 12.067 1.00 41.34 H new ATOM 734 N GLU A 49 1.212 0.690 12.073 1.00 43.11 N ATOM 735 CA GLU A 49 0.597 0.839 13.410 1.00 45.14 C ATOM 736 C GLU A 49 0.295 -0.536 14.065 1.00 31.02 C ATOM 737 O GLU A 49 -0.225 -0.591 15.189 1.00 0.23 O ATOM 738 CB GLU A 49 -0.711 1.661 13.274 1.00 31.22 C ATOM 739 CG GLU A 49 -0.555 3.063 12.639 1.00 1.10 C ATOM 740 CD GLU A 49 0.316 4.021 13.474 1.00 54.11 C ATOM 741 OE1 GLU A 49 -0.204 4.606 14.449 1.00 64.22 O ATOM 742 OE2 GLU A 49 1.518 4.181 13.169 1.00 43.45 O ATOM 0 H GLU A 49 0.532 0.716 11.313 1.00 43.11 H new ATOM 0 HA GLU A 49 1.304 1.358 14.057 1.00 45.14 H new ATOM 0 HB2 GLU A 49 -1.419 1.087 12.676 1.00 31.22 H new ATOM 0 HB3 GLU A 49 -1.151 1.777 14.264 1.00 31.22 H new ATOM 0 HG2 GLU A 49 -0.116 2.957 11.647 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.542 3.505 12.506 1.00 1.10 H new ATOM 749 N ASN A 50 0.601 -1.629 13.326 1.00 75.31 N ATOM 750 CA ASN A 50 0.412 -3.040 13.760 1.00 73.31 C ATOM 751 C ASN A 50 -1.089 -3.403 13.951 1.00 30.44 C ATOM 752 O ASN A 50 -1.417 -4.374 14.638 1.00 31.33 O ATOM 753 CB ASN A 50 1.235 -3.345 15.056 1.00 72.34 C ATOM 754 CG ASN A 50 2.712 -2.942 14.958 1.00 72.42 C ATOM 755 OD1 ASN A 50 3.301 -2.913 13.883 1.00 61.42 O ATOM 756 ND2 ASN A 50 3.325 -2.636 16.079 1.00 14.43 N ATOM 0 H ASN A 50 0.996 -1.556 12.388 1.00 75.31 H new ATOM 0 HA ASN A 50 0.792 -3.673 12.958 1.00 73.31 H new ATOM 0 HB2 ASN A 50 0.780 -2.821 15.896 1.00 72.34 H new ATOM 0 HB3 ASN A 50 1.172 -4.411 15.273 1.00 72.34 H new ATOM 0 HD21 ASN A 50 4.309 -2.368 16.065 1.00 14.43 H new ATOM 0 HD22 ASN A 50 2.817 -2.666 16.963 1.00 14.43 H new ATOM 763 N LYS A 51 -1.996 -2.640 13.295 1.00 51.01 N ATOM 764 CA LYS A 51 -3.463 -2.777 13.476 1.00 2.32 C ATOM 765 C LYS A 51 -4.103 -3.779 12.492 1.00 24.20 C ATOM 766 O LYS A 51 -5.291 -4.105 12.619 1.00 0.44 O ATOM 767 CB LYS A 51 -4.145 -1.393 13.332 1.00 2.44 C ATOM 768 CG LYS A 51 -3.720 -0.364 14.400 1.00 63.41 C ATOM 769 CD LYS A 51 -4.514 0.961 14.326 1.00 50.43 C ATOM 770 CE LYS A 51 -4.399 1.667 12.962 1.00 30.22 C ATOM 771 NZ LYS A 51 -5.045 3.002 12.964 1.00 2.30 N ATOM 0 H LYS A 51 -1.734 -1.915 12.628 1.00 51.01 H new ATOM 0 HA LYS A 51 -3.620 -3.173 14.479 1.00 2.32 H new ATOM 0 HB2 LYS A 51 -3.919 -0.990 12.345 1.00 2.44 H new ATOM 0 HB3 LYS A 51 -5.226 -1.526 13.382 1.00 2.44 H new ATOM 0 HG2 LYS A 51 -3.851 -0.803 15.389 1.00 63.41 H new ATOM 0 HG3 LYS A 51 -2.658 -0.149 14.285 1.00 63.41 H new ATOM 0 HD2 LYS A 51 -5.565 0.759 14.535 1.00 50.43 H new ATOM 0 HD3 LYS A 51 -4.158 1.634 15.106 1.00 50.43 H new ATOM 0 HE2 LYS A 51 -3.347 1.775 12.699 1.00 30.22 H new ATOM 0 HE3 LYS A 51 -4.858 1.045 12.193 1.00 30.22 H new ATOM 0 HZ1 LYS A 51 -4.942 3.439 12.026 1.00 2.30 H new ATOM 0 HZ2 LYS A 51 -6.055 2.899 13.189 1.00 2.30 H new ATOM 0 HZ3 LYS A 51 -4.591 3.606 13.679 1.00 2.30 H new ATOM 785 N VAL A 52 -3.329 -4.263 11.503 1.00 35.24 N ATOM 786 CA VAL A 52 -3.817 -5.241 10.499 1.00 33.21 C ATOM 787 C VAL A 52 -2.843 -6.417 10.317 1.00 64.33 C ATOM 788 O VAL A 52 -1.647 -6.304 10.606 1.00 1.14 O ATOM 789 CB VAL A 52 -4.088 -4.577 9.099 1.00 72.42 C ATOM 790 CG1 VAL A 52 -5.205 -3.523 9.184 1.00 23.40 C ATOM 791 CG2 VAL A 52 -2.798 -3.982 8.478 1.00 31.40 C ATOM 0 H VAL A 52 -2.354 -3.993 11.373 1.00 35.24 H new ATOM 0 HA VAL A 52 -4.760 -5.619 10.895 1.00 33.21 H new ATOM 0 HB VAL A 52 -4.429 -5.369 8.432 1.00 72.42 H new ATOM 0 HG11 VAL A 52 -5.367 -3.084 8.200 1.00 23.40 H new ATOM 0 HG12 VAL A 52 -6.126 -3.995 9.526 1.00 23.40 H new ATOM 0 HG13 VAL A 52 -4.915 -2.742 9.887 1.00 23.40 H new ATOM 0 HG21 VAL A 52 -3.032 -3.534 7.512 1.00 31.40 H new ATOM 0 HG22 VAL A 52 -2.392 -3.219 9.143 1.00 31.40 H new ATOM 0 HG23 VAL A 52 -2.061 -4.774 8.342 1.00 31.40 H new ATOM 801 N VAL A 53 -3.384 -7.546 9.827 1.00 63.34 N ATOM 802 CA VAL A 53 -2.608 -8.766 9.525 1.00 64.44 C ATOM 803 C VAL A 53 -2.907 -9.255 8.079 1.00 62.45 C ATOM 804 O VAL A 53 -4.067 -9.455 7.696 1.00 53.12 O ATOM 805 CB VAL A 53 -2.893 -9.904 10.584 1.00 72.53 C ATOM 806 CG1 VAL A 53 -2.245 -9.573 11.961 1.00 52.43 C ATOM 807 CG2 VAL A 53 -4.413 -10.156 10.749 1.00 64.22 C ATOM 0 H VAL A 53 -4.380 -7.640 9.627 1.00 63.34 H new ATOM 0 HA VAL A 53 -1.548 -8.520 9.590 1.00 64.44 H new ATOM 0 HB VAL A 53 -2.437 -10.818 10.204 1.00 72.53 H new ATOM 0 HG11 VAL A 53 -2.460 -10.376 12.667 1.00 52.43 H new ATOM 0 HG12 VAL A 53 -1.166 -9.474 11.841 1.00 52.43 H new ATOM 0 HG13 VAL A 53 -2.655 -8.637 12.340 1.00 52.43 H new ATOM 0 HG21 VAL A 53 -4.573 -10.944 11.484 1.00 64.22 H new ATOM 0 HG22 VAL A 53 -4.899 -9.241 11.087 1.00 64.22 H new ATOM 0 HG23 VAL A 53 -4.837 -10.461 9.792 1.00 64.22 H new ATOM 817 N ILE A 54 -1.844 -9.395 7.264 1.00 34.41 N ATOM 818 CA ILE A 54 -1.940 -9.822 5.848 1.00 23.54 C ATOM 819 C ILE A 54 -1.541 -11.312 5.714 1.00 21.11 C ATOM 820 O ILE A 54 -0.440 -11.701 6.132 1.00 1.20 O ATOM 821 CB ILE A 54 -1.021 -8.936 4.897 1.00 65.02 C ATOM 822 CG1 ILE A 54 -1.500 -7.434 4.836 1.00 1.40 C ATOM 823 CG2 ILE A 54 -0.931 -9.544 3.464 1.00 3.22 C ATOM 824 CD1 ILE A 54 -1.234 -6.589 6.079 1.00 2.32 C ATOM 0 H ILE A 54 -0.887 -9.215 7.568 1.00 34.41 H new ATOM 0 HA ILE A 54 -2.975 -9.687 5.536 1.00 23.54 H new ATOM 0 HB ILE A 54 -0.022 -8.943 5.334 1.00 65.02 H new ATOM 0 HG12 ILE A 54 -1.015 -6.954 3.986 1.00 1.40 H new ATOM 0 HG13 ILE A 54 -2.572 -7.424 4.639 1.00 1.40 H new ATOM 0 HG21 ILE A 54 -0.296 -8.914 2.841 1.00 3.22 H new ATOM 0 HG22 ILE A 54 -0.505 -10.546 3.520 1.00 3.22 H new ATOM 0 HG23 ILE A 54 -1.929 -9.597 3.028 1.00 3.22 H new ATOM 0 HD11 ILE A 54 -1.607 -5.577 5.918 1.00 2.32 H new ATOM 0 HD12 ILE A 54 -1.743 -7.031 6.935 1.00 2.32 H new ATOM 0 HD13 ILE A 54 -0.162 -6.554 6.273 1.00 2.32 H new ATOM 836 N GLU A 55 -2.427 -12.139 5.126 1.00 73.31 N ATOM 837 CA GLU A 55 -2.125 -13.554 4.811 1.00 53.05 C ATOM 838 C GLU A 55 -1.748 -13.721 3.321 1.00 4.42 C ATOM 839 O GLU A 55 -2.521 -13.354 2.427 1.00 41.13 O ATOM 840 CB GLU A 55 -3.321 -14.481 5.155 1.00 52.23 C ATOM 841 CG GLU A 55 -3.562 -14.707 6.670 1.00 3.12 C ATOM 842 CD GLU A 55 -4.518 -15.880 6.960 1.00 63.24 C ATOM 843 OE1 GLU A 55 -4.321 -16.955 6.363 1.00 60.51 O ATOM 844 OE2 GLU A 55 -5.460 -15.735 7.766 1.00 53.24 O ATOM 0 H GLU A 55 -3.367 -11.850 4.856 1.00 73.31 H new ATOM 0 HA GLU A 55 -1.274 -13.845 5.427 1.00 53.05 H new ATOM 0 HB2 GLU A 55 -4.226 -14.059 4.718 1.00 52.23 H new ATOM 0 HB3 GLU A 55 -3.159 -15.449 4.680 1.00 52.23 H new ATOM 0 HG2 GLU A 55 -2.607 -14.895 7.160 1.00 3.12 H new ATOM 0 HG3 GLU A 55 -3.971 -13.796 7.107 1.00 3.12 H new ATOM 851 N ARG A 56 -0.541 -14.262 3.069 1.00 34.30 N ATOM 852 CA ARG A 56 -0.069 -14.625 1.716 1.00 14.33 C ATOM 853 C ARG A 56 -0.088 -16.158 1.541 1.00 0.44 C ATOM 854 O ARG A 56 0.823 -16.862 1.993 1.00 74.43 O ATOM 855 CB ARG A 56 1.351 -14.041 1.459 1.00 62.31 C ATOM 856 CG ARG A 56 1.369 -12.513 1.230 1.00 41.04 C ATOM 857 CD ARG A 56 2.792 -11.952 1.034 1.00 63.34 C ATOM 858 NE ARG A 56 2.776 -10.578 0.491 1.00 54.34 N ATOM 859 CZ ARG A 56 2.714 -9.466 1.194 1.00 42.20 C ATOM 860 NH1 ARG A 56 2.634 -9.479 2.499 1.00 2.51 N ATOM 861 NH2 ARG A 56 2.713 -8.333 0.567 1.00 42.30 N ATOM 0 H ARG A 56 0.140 -14.461 3.802 1.00 34.30 H new ATOM 0 HA ARG A 56 -0.743 -14.192 0.977 1.00 14.33 H new ATOM 0 HB2 ARG A 56 1.990 -14.278 2.310 1.00 62.31 H new ATOM 0 HB3 ARG A 56 1.783 -14.534 0.588 1.00 62.31 H new ATOM 0 HG2 ARG A 56 0.766 -12.275 0.354 1.00 41.04 H new ATOM 0 HG3 ARG A 56 0.903 -12.018 2.082 1.00 41.04 H new ATOM 0 HD2 ARG A 56 3.319 -11.958 1.988 1.00 63.34 H new ATOM 0 HD3 ARG A 56 3.348 -12.602 0.359 1.00 63.34 H new ATOM 0 HE ARG A 56 2.817 -10.482 -0.524 1.00 54.34 H new ATOM 0 HH11 ARG A 56 2.618 -10.367 3.000 1.00 2.51 H new ATOM 0 HH12 ARG A 56 2.587 -8.601 3.016 1.00 2.51 H new ATOM 0 HH21 ARG A 56 2.760 -8.314 -0.452 1.00 42.30 H new ATOM 0 HH22 ARG A 56 2.666 -7.460 1.092 1.00 42.30 H new ATOM 875 N LYS A 57 -1.151 -16.665 0.901 1.00 12.20 N ATOM 876 CA LYS A 57 -1.338 -18.115 0.639 1.00 30.01 C ATOM 877 C LYS A 57 -1.621 -18.338 -0.861 1.00 0.21 C ATOM 878 O LYS A 57 -2.526 -17.701 -1.407 1.00 10.13 O ATOM 879 CB LYS A 57 -2.507 -18.699 1.482 1.00 14.24 C ATOM 880 CG LYS A 57 -2.364 -18.542 3.018 1.00 72.52 C ATOM 881 CD LYS A 57 -3.466 -19.295 3.807 1.00 13.54 C ATOM 882 CE LYS A 57 -4.894 -18.873 3.404 1.00 5.31 C ATOM 883 NZ LYS A 57 -5.145 -17.424 3.628 1.00 23.15 N ATOM 0 H LYS A 57 -1.912 -16.087 0.546 1.00 12.20 H new ATOM 0 HA LYS A 57 -0.422 -18.631 0.926 1.00 30.01 H new ATOM 0 HB2 LYS A 57 -3.434 -18.217 1.170 1.00 14.24 H new ATOM 0 HB3 LYS A 57 -2.605 -19.759 1.250 1.00 14.24 H new ATOM 0 HG2 LYS A 57 -1.386 -18.912 3.326 1.00 72.52 H new ATOM 0 HG3 LYS A 57 -2.400 -17.483 3.275 1.00 72.52 H new ATOM 0 HD2 LYS A 57 -3.351 -20.367 3.646 1.00 13.54 H new ATOM 0 HD3 LYS A 57 -3.328 -19.116 4.873 1.00 13.54 H new ATOM 0 HE2 LYS A 57 -5.055 -19.108 2.352 1.00 5.31 H new ATOM 0 HE3 LYS A 57 -5.616 -19.456 3.975 1.00 5.31 H new ATOM 0 HZ1 LYS A 57 -6.152 -17.218 3.471 1.00 23.15 H new ATOM 0 HZ2 LYS A 57 -4.888 -17.174 4.604 1.00 23.15 H new ATOM 0 HZ3 LYS A 57 -4.570 -16.866 2.965 1.00 23.15 H new ATOM 897 N ASN A 58 -0.859 -19.261 -1.497 1.00 20.24 N ATOM 898 CA ASN A 58 -0.908 -19.540 -2.967 1.00 21.22 C ATOM 899 C ASN A 58 -0.573 -18.272 -3.819 1.00 75.43 C ATOM 900 O ASN A 58 -1.011 -18.140 -4.971 1.00 31.22 O ATOM 901 CB ASN A 58 -2.309 -20.113 -3.351 1.00 21.31 C ATOM 902 CG ASN A 58 -2.705 -21.347 -2.529 1.00 45.42 C ATOM 903 OD1 ASN A 58 -1.882 -22.203 -2.222 1.00 61.24 O ATOM 904 ND2 ASN A 58 -3.955 -21.418 -2.121 1.00 15.40 N ATOM 0 H ASN A 58 -0.182 -19.844 -1.004 1.00 20.24 H new ATOM 0 HA ASN A 58 -0.142 -20.282 -3.192 1.00 21.22 H new ATOM 0 HB2 ASN A 58 -3.062 -19.337 -3.214 1.00 21.31 H new ATOM 0 HB3 ASN A 58 -2.310 -20.374 -4.409 1.00 21.31 H new ATOM 0 HD21 ASN A 58 -4.257 -22.197 -1.536 1.00 15.40 H new ATOM 0 HD22 ASN A 58 -4.621 -20.694 -2.390 1.00 15.40 H new ATOM 911 N GLY A 59 0.265 -17.380 -3.250 1.00 31.11 N ATOM 912 CA GLY A 59 0.587 -16.075 -3.867 1.00 3.13 C ATOM 913 C GLY A 59 -0.544 -15.022 -3.754 1.00 53.35 C ATOM 914 O GLY A 59 -0.410 -13.900 -4.260 1.00 63.52 O ATOM 0 H GLY A 59 0.734 -17.541 -2.359 1.00 31.11 H new ATOM 0 HA2 GLY A 59 1.487 -15.677 -3.399 1.00 3.13 H new ATOM 0 HA3 GLY A 59 0.819 -16.231 -4.921 1.00 3.13 H new ATOM 918 N LEU A 60 -1.659 -15.387 -3.087 1.00 34.02 N ATOM 919 CA LEU A 60 -2.849 -14.514 -2.933 1.00 2.13 C ATOM 920 C LEU A 60 -2.791 -13.720 -1.611 1.00 41.32 C ATOM 921 O LEU A 60 -2.536 -14.287 -0.544 1.00 3.32 O ATOM 922 CB LEU A 60 -4.142 -15.371 -2.993 1.00 53.44 C ATOM 923 CG LEU A 60 -4.371 -16.153 -4.324 1.00 45.41 C ATOM 924 CD1 LEU A 60 -5.633 -17.039 -4.245 1.00 33.52 C ATOM 925 CD2 LEU A 60 -4.425 -15.191 -5.531 1.00 3.11 C ATOM 0 H LEU A 60 -1.763 -16.297 -2.638 1.00 34.02 H new ATOM 0 HA LEU A 60 -2.857 -13.796 -3.753 1.00 2.13 H new ATOM 0 HB2 LEU A 60 -4.121 -16.087 -2.171 1.00 53.44 H new ATOM 0 HB3 LEU A 60 -4.998 -14.717 -2.825 1.00 53.44 H new ATOM 0 HG LEU A 60 -3.519 -16.817 -4.472 1.00 45.41 H new ATOM 0 HD11 LEU A 60 -5.764 -17.570 -5.188 1.00 33.52 H new ATOM 0 HD12 LEU A 60 -5.521 -17.760 -3.435 1.00 33.52 H new ATOM 0 HD13 LEU A 60 -6.506 -16.413 -4.057 1.00 33.52 H new ATOM 0 HD21 LEU A 60 -4.585 -15.763 -6.445 1.00 3.11 H new ATOM 0 HD22 LEU A 60 -5.244 -14.484 -5.397 1.00 3.11 H new ATOM 0 HD23 LEU A 60 -3.484 -14.646 -5.604 1.00 3.11 H new ATOM 937 N ILE A 61 -3.037 -12.406 -1.704 1.00 64.52 N ATOM 938 CA ILE A 61 -2.998 -11.473 -0.563 1.00 44.04 C ATOM 939 C ILE A 61 -4.427 -11.146 -0.079 1.00 33.42 C ATOM 940 O ILE A 61 -5.230 -10.577 -0.826 1.00 72.35 O ATOM 941 CB ILE A 61 -2.227 -10.163 -0.973 1.00 43.22 C ATOM 942 CG1 ILE A 61 -0.747 -10.522 -1.319 1.00 12.14 C ATOM 943 CG2 ILE A 61 -2.311 -9.067 0.120 1.00 53.13 C ATOM 944 CD1 ILE A 61 0.121 -9.363 -1.768 1.00 65.24 C ATOM 0 H ILE A 61 -3.273 -11.952 -2.586 1.00 64.52 H new ATOM 0 HA ILE A 61 -2.467 -11.945 0.264 1.00 44.04 H new ATOM 0 HB ILE A 61 -2.706 -9.742 -1.856 1.00 43.22 H new ATOM 0 HG12 ILE A 61 -0.288 -10.978 -0.442 1.00 12.14 H new ATOM 0 HG13 ILE A 61 -0.749 -11.277 -2.106 1.00 12.14 H new ATOM 0 HG21 ILE A 61 -1.764 -8.183 -0.208 1.00 53.13 H new ATOM 0 HG22 ILE A 61 -3.355 -8.805 0.293 1.00 53.13 H new ATOM 0 HG23 ILE A 61 -1.873 -9.441 1.045 1.00 53.13 H new ATOM 0 HD11 ILE A 61 1.127 -9.724 -1.982 1.00 65.24 H new ATOM 0 HD12 ILE A 61 -0.304 -8.917 -2.667 1.00 65.24 H new ATOM 0 HD13 ILE A 61 0.165 -8.614 -0.978 1.00 65.24 H new ATOM 956 N GLU A 62 -4.728 -11.527 1.173 1.00 4.51 N ATOM 957 CA GLU A 62 -6.026 -11.261 1.834 1.00 70.30 C ATOM 958 C GLU A 62 -5.799 -10.452 3.124 1.00 62.42 C ATOM 959 O GLU A 62 -4.910 -10.783 3.924 1.00 51.30 O ATOM 960 CB GLU A 62 -6.753 -12.598 2.153 1.00 43.30 C ATOM 961 CG GLU A 62 -7.171 -13.421 0.915 1.00 72.31 C ATOM 962 CD GLU A 62 -8.193 -12.696 0.017 1.00 43.14 C ATOM 963 OE1 GLU A 62 -9.357 -12.517 0.450 1.00 71.33 O ATOM 964 OE2 GLU A 62 -7.853 -12.316 -1.124 1.00 72.22 O ATOM 0 H GLU A 62 -4.072 -12.035 1.766 1.00 4.51 H new ATOM 0 HA GLU A 62 -6.655 -10.680 1.160 1.00 70.30 H new ATOM 0 HB2 GLU A 62 -6.100 -13.210 2.775 1.00 43.30 H new ATOM 0 HB3 GLU A 62 -7.643 -12.379 2.743 1.00 43.30 H new ATOM 0 HG2 GLU A 62 -6.284 -13.656 0.327 1.00 72.31 H new ATOM 0 HG3 GLU A 62 -7.596 -14.369 1.244 1.00 72.31 H new ATOM 971 N ILE A 63 -6.595 -9.391 3.323 1.00 62.14 N ATOM 972 CA ILE A 63 -6.479 -8.508 4.498 1.00 32.24 C ATOM 973 C ILE A 63 -7.504 -8.894 5.611 1.00 45.50 C ATOM 974 O ILE A 63 -8.728 -8.862 5.412 1.00 55.24 O ATOM 975 CB ILE A 63 -6.608 -6.986 4.081 1.00 11.21 C ATOM 976 CG1 ILE A 63 -6.461 -6.042 5.318 1.00 74.02 C ATOM 977 CG2 ILE A 63 -7.917 -6.697 3.311 1.00 63.33 C ATOM 978 CD1 ILE A 63 -5.148 -6.182 6.061 1.00 35.42 C ATOM 0 H ILE A 63 -7.336 -9.120 2.677 1.00 62.14 H new ATOM 0 HA ILE A 63 -5.484 -8.648 4.921 1.00 32.24 H new ATOM 0 HB ILE A 63 -5.785 -6.777 3.398 1.00 11.21 H new ATOM 0 HG12 ILE A 63 -6.568 -5.009 4.986 1.00 74.02 H new ATOM 0 HG13 ILE A 63 -7.279 -6.241 6.010 1.00 74.02 H new ATOM 0 HG21 ILE A 63 -7.958 -5.640 3.047 1.00 63.33 H new ATOM 0 HG22 ILE A 63 -7.945 -7.299 2.403 1.00 63.33 H new ATOM 0 HG23 ILE A 63 -8.772 -6.948 3.939 1.00 63.33 H new ATOM 0 HD11 ILE A 63 -5.131 -5.491 6.904 1.00 35.42 H new ATOM 0 HD12 ILE A 63 -5.044 -7.203 6.427 1.00 35.42 H new ATOM 0 HD13 ILE A 63 -4.322 -5.953 5.387 1.00 35.42 H new ATOM 990 N TYR A 64 -6.960 -9.299 6.770 1.00 31.14 N ATOM 991 CA TYR A 64 -7.722 -9.617 8.000 1.00 73.44 C ATOM 992 C TYR A 64 -7.485 -8.531 9.075 1.00 4.42 C ATOM 993 O TYR A 64 -6.558 -7.715 8.965 1.00 35.41 O ATOM 994 CB TYR A 64 -7.287 -11.010 8.547 1.00 71.14 C ATOM 995 CG TYR A 64 -7.663 -12.195 7.645 1.00 70.30 C ATOM 996 CD1 TYR A 64 -6.889 -12.532 6.530 1.00 73.25 C ATOM 997 CD2 TYR A 64 -8.792 -12.980 7.907 1.00 11.11 C ATOM 998 CE1 TYR A 64 -7.227 -13.597 5.715 1.00 4.12 C ATOM 999 CE2 TYR A 64 -9.131 -14.047 7.095 1.00 30.04 C ATOM 1000 CZ TYR A 64 -8.347 -14.350 5.999 1.00 62.14 C ATOM 1001 OH TYR A 64 -8.692 -15.408 5.183 1.00 44.33 O ATOM 0 H TYR A 64 -5.954 -9.419 6.886 1.00 31.14 H new ATOM 0 HA TYR A 64 -8.784 -9.643 7.758 1.00 73.44 H new ATOM 0 HB2 TYR A 64 -6.207 -11.008 8.691 1.00 71.14 H new ATOM 0 HB3 TYR A 64 -7.739 -11.158 9.528 1.00 71.14 H new ATOM 0 HD1 TYR A 64 -6.009 -11.949 6.301 1.00 73.25 H new ATOM 0 HD2 TYR A 64 -9.411 -12.748 8.761 1.00 11.11 H new ATOM 0 HE1 TYR A 64 -6.615 -13.838 4.858 1.00 4.12 H new ATOM 0 HE2 TYR A 64 -10.005 -14.641 7.317 1.00 30.04 H new ATOM 0 HH TYR A 64 -9.506 -15.833 5.525 1.00 44.33 H new ATOM 1011 N ASN A 65 -8.329 -8.532 10.118 1.00 24.22 N ATOM 1012 CA ASN A 65 -8.179 -7.627 11.276 1.00 13.52 C ATOM 1013 C ASN A 65 -7.241 -8.294 12.308 1.00 23.04 C ATOM 1014 O ASN A 65 -7.293 -9.521 12.496 1.00 60.42 O ATOM 1015 CB ASN A 65 -9.571 -7.313 11.903 1.00 53.41 C ATOM 1016 CG ASN A 65 -9.606 -6.050 12.780 1.00 74.44 C ATOM 1017 OD1 ASN A 65 -8.609 -5.643 13.372 1.00 23.10 O ATOM 1018 ND2 ASN A 65 -10.770 -5.427 12.887 1.00 54.04 N ATOM 0 H ASN A 65 -9.133 -9.156 10.186 1.00 24.22 H new ATOM 0 HA ASN A 65 -7.743 -6.681 10.955 1.00 13.52 H new ATOM 0 HB2 ASN A 65 -10.300 -7.203 11.100 1.00 53.41 H new ATOM 0 HB3 ASN A 65 -9.885 -8.166 12.504 1.00 53.41 H new ATOM 0 HD21 ASN A 65 -10.851 -4.593 13.469 1.00 54.04 H new ATOM 0 HD22 ASN A 65 -11.586 -5.781 12.387 1.00 54.04 H new ATOM 1025 N GLU A 66 -6.388 -7.476 12.955 1.00 4.33 N ATOM 1026 CA GLU A 66 -5.365 -7.948 13.932 1.00 11.52 C ATOM 1027 C GLU A 66 -5.997 -8.782 15.077 1.00 51.04 C ATOM 1028 O GLU A 66 -7.039 -8.413 15.625 1.00 41.32 O ATOM 1029 CB GLU A 66 -4.562 -6.726 14.485 1.00 72.43 C ATOM 1030 CG GLU A 66 -3.400 -7.032 15.482 1.00 43.41 C ATOM 1031 CD GLU A 66 -3.819 -7.069 16.972 1.00 21.55 C ATOM 1032 OE1 GLU A 66 -4.123 -5.997 17.533 1.00 3.52 O ATOM 1033 OE2 GLU A 66 -3.849 -8.158 17.585 1.00 23.44 O ATOM 0 H GLU A 66 -6.382 -6.465 12.820 1.00 4.33 H new ATOM 0 HA GLU A 66 -4.676 -8.614 13.413 1.00 11.52 H new ATOM 0 HB2 GLU A 66 -4.146 -6.183 13.637 1.00 72.43 H new ATOM 0 HB3 GLU A 66 -5.265 -6.055 14.980 1.00 72.43 H new ATOM 0 HG2 GLU A 66 -2.957 -7.993 15.219 1.00 43.41 H new ATOM 0 HG3 GLU A 66 -2.623 -6.278 15.356 1.00 43.41 H new ATOM 1327 N LYS B 3 5.847 -8.074 9.436 1.00 62.11 N ATOM 1328 CA LYS B 3 6.414 -6.738 9.727 1.00 43.44 C ATOM 1329 C LYS B 3 7.874 -6.592 9.239 1.00 3.24 C ATOM 1330 O LYS B 3 8.355 -5.473 9.012 1.00 43.03 O ATOM 1331 CB LYS B 3 6.297 -6.438 11.248 1.00 51.21 C ATOM 1332 CG LYS B 3 6.144 -4.940 11.610 1.00 70.11 C ATOM 1333 CD LYS B 3 4.914 -4.272 10.939 1.00 64.32 C ATOM 1334 CE LYS B 3 3.598 -5.070 11.105 1.00 34.21 C ATOM 1335 NZ LYS B 3 3.299 -5.412 12.518 1.00 51.54 N ATOM 0 HA LYS B 3 5.833 -6.003 9.170 1.00 43.44 H new ATOM 0 HB2 LYS B 3 5.440 -6.982 11.645 1.00 51.21 H new ATOM 0 HB3 LYS B 3 7.183 -6.829 11.749 1.00 51.21 H new ATOM 0 HG2 LYS B 3 6.058 -4.841 12.692 1.00 70.11 H new ATOM 0 HG3 LYS B 3 7.047 -4.407 11.312 1.00 70.11 H new ATOM 0 HD2 LYS B 3 4.779 -3.276 11.361 1.00 64.32 H new ATOM 0 HD3 LYS B 3 5.118 -4.143 9.876 1.00 64.32 H new ATOM 0 HE2 LYS B 3 2.773 -4.487 10.696 1.00 34.21 H new ATOM 0 HE3 LYS B 3 3.660 -5.988 10.521 1.00 34.21 H new ATOM 0 HZ1 LYS B 3 2.375 -5.885 12.572 1.00 51.54 H new ATOM 0 HZ2 LYS B 3 4.036 -6.048 12.885 1.00 51.54 H new ATOM 0 HZ3 LYS B 3 3.277 -4.543 13.088 1.00 51.54 H new ATOM 1349 N LYS B 4 8.578 -7.721 9.096 1.00 4.23 N ATOM 1350 CA LYS B 4 9.934 -7.742 8.511 1.00 75.13 C ATOM 1351 C LYS B 4 9.864 -7.886 6.966 1.00 11.01 C ATOM 1352 O LYS B 4 10.799 -7.507 6.253 1.00 1.42 O ATOM 1353 CB LYS B 4 10.776 -8.866 9.164 1.00 0.41 C ATOM 1354 CG LYS B 4 12.287 -8.793 8.847 1.00 75.31 C ATOM 1355 CD LYS B 4 13.147 -9.739 9.716 1.00 65.14 C ATOM 1356 CE LYS B 4 14.649 -9.634 9.388 1.00 22.12 C ATOM 1357 NZ LYS B 4 14.942 -10.055 7.990 1.00 5.43 N ATOM 0 H LYS B 4 8.233 -8.639 9.377 1.00 4.23 H new ATOM 0 HA LYS B 4 10.429 -6.793 8.720 1.00 75.13 H new ATOM 0 HB2 LYS B 4 10.641 -8.824 10.245 1.00 0.41 H new ATOM 0 HB3 LYS B 4 10.393 -9.831 8.832 1.00 0.41 H new ATOM 0 HG2 LYS B 4 12.442 -9.037 7.796 1.00 75.31 H new ATOM 0 HG3 LYS B 4 12.631 -7.769 8.990 1.00 75.31 H new ATOM 0 HD2 LYS B 4 12.990 -9.504 10.769 1.00 65.14 H new ATOM 0 HD3 LYS B 4 12.816 -10.767 9.566 1.00 65.14 H new ATOM 0 HE2 LYS B 4 14.982 -8.607 9.535 1.00 22.12 H new ATOM 0 HE3 LYS B 4 15.216 -10.255 10.081 1.00 22.12 H new ATOM 0 HZ1 LYS B 4 15.971 -10.100 7.850 1.00 5.43 H new ATOM 0 HZ2 LYS B 4 14.527 -10.993 7.816 1.00 5.43 H new ATOM 0 HZ3 LYS B 4 14.532 -9.367 7.327 1.00 5.43 H new ATOM 1371 N ILE B 5 8.732 -8.431 6.455 1.00 22.34 N ATOM 1372 CA ILE B 5 8.436 -8.469 5.000 1.00 4.44 C ATOM 1373 C ILE B 5 8.193 -7.042 4.462 1.00 13.22 C ATOM 1374 O ILE B 5 8.823 -6.632 3.491 1.00 3.25 O ATOM 1375 CB ILE B 5 7.197 -9.382 4.665 1.00 33.53 C ATOM 1376 CG1 ILE B 5 7.459 -10.852 5.119 1.00 44.53 C ATOM 1377 CG2 ILE B 5 6.833 -9.323 3.153 1.00 73.42 C ATOM 1378 CD1 ILE B 5 6.285 -11.799 4.918 1.00 12.24 C ATOM 0 H ILE B 5 8.005 -8.853 7.033 1.00 22.34 H new ATOM 0 HA ILE B 5 9.308 -8.902 4.510 1.00 4.44 H new ATOM 0 HB ILE B 5 6.342 -8.997 5.220 1.00 33.53 H new ATOM 0 HG12 ILE B 5 8.318 -11.239 4.571 1.00 44.53 H new ATOM 0 HG13 ILE B 5 7.729 -10.849 6.175 1.00 44.53 H new ATOM 0 HG21 ILE B 5 5.974 -9.965 2.960 1.00 73.42 H new ATOM 0 HG22 ILE B 5 6.588 -8.297 2.877 1.00 73.42 H new ATOM 0 HG23 ILE B 5 7.682 -9.665 2.561 1.00 73.42 H new ATOM 0 HD11 ILE B 5 6.559 -12.796 5.261 1.00 12.24 H new ATOM 0 HD12 ILE B 5 5.428 -11.442 5.488 1.00 12.24 H new ATOM 0 HD13 ILE B 5 6.026 -11.838 3.860 1.00 12.24 H new ATOM 1390 N VAL B 6 7.300 -6.275 5.130 1.00 11.44 N ATOM 1391 CA VAL B 6 6.972 -4.887 4.716 1.00 44.51 C ATOM 1392 C VAL B 6 8.224 -3.970 4.760 1.00 64.24 C ATOM 1393 O VAL B 6 8.334 -3.046 3.965 1.00 14.15 O ATOM 1394 CB VAL B 6 5.807 -4.258 5.582 1.00 12.11 C ATOM 1395 CG1 VAL B 6 4.523 -5.110 5.491 1.00 32.10 C ATOM 1396 CG2 VAL B 6 6.223 -4.062 7.055 1.00 44.44 C ATOM 0 H VAL B 6 6.794 -6.592 5.957 1.00 11.44 H new ATOM 0 HA VAL B 6 6.621 -4.952 3.686 1.00 44.51 H new ATOM 0 HB VAL B 6 5.598 -3.273 5.165 1.00 12.11 H new ATOM 0 HG11 VAL B 6 3.740 -4.653 6.096 1.00 32.10 H new ATOM 0 HG12 VAL B 6 4.195 -5.164 4.453 1.00 32.10 H new ATOM 0 HG13 VAL B 6 4.727 -6.115 5.860 1.00 32.10 H new ATOM 0 HG21 VAL B 6 5.393 -3.628 7.613 1.00 44.44 H new ATOM 0 HG22 VAL B 6 6.488 -5.026 7.490 1.00 44.44 H new ATOM 0 HG23 VAL B 6 7.083 -3.394 7.104 1.00 44.44 H new ATOM 1406 N GLY B 7 9.165 -4.271 5.684 1.00 74.24 N ATOM 1407 CA GLY B 7 10.441 -3.546 5.788 1.00 74.11 C ATOM 1408 C GLY B 7 11.425 -3.881 4.656 1.00 34.52 C ATOM 1409 O GLY B 7 11.994 -2.980 4.025 1.00 51.11 O ATOM 0 H GLY B 7 9.058 -5.018 6.371 1.00 74.24 H new ATOM 0 HA2 GLY B 7 10.243 -2.474 5.783 1.00 74.11 H new ATOM 0 HA3 GLY B 7 10.907 -3.779 6.746 1.00 74.11 H new ATOM 1413 N ALA B 8 11.624 -5.192 4.409 1.00 15.12 N ATOM 1414 CA ALA B 8 12.565 -5.704 3.376 1.00 70.34 C ATOM 1415 C ALA B 8 12.127 -5.295 1.945 1.00 42.23 C ATOM 1416 O ALA B 8 12.930 -4.777 1.152 1.00 4.32 O ATOM 1417 CB ALA B 8 12.678 -7.234 3.482 1.00 31.33 C ATOM 0 H ALA B 8 11.139 -5.931 4.918 1.00 15.12 H new ATOM 0 HA ALA B 8 13.541 -5.255 3.561 1.00 70.34 H new ATOM 0 HB1 ALA B 8 13.368 -7.601 2.723 1.00 31.33 H new ATOM 0 HB2 ALA B 8 13.049 -7.504 4.471 1.00 31.33 H new ATOM 0 HB3 ALA B 8 11.697 -7.683 3.328 1.00 31.33 H new ATOM 1423 N ASN B 9 10.834 -5.538 1.646 1.00 40.40 N ATOM 1424 CA ASN B 9 10.191 -5.151 0.370 1.00 12.51 C ATOM 1425 C ASN B 9 10.264 -3.625 0.126 1.00 34.52 C ATOM 1426 O ASN B 9 10.576 -3.199 -0.980 1.00 32.22 O ATOM 1427 CB ASN B 9 8.706 -5.627 0.340 1.00 42.13 C ATOM 1428 CG ASN B 9 8.544 -7.152 0.333 1.00 11.44 C ATOM 1429 OD1 ASN B 9 9.356 -7.890 0.884 1.00 74.33 O ATOM 1430 ND2 ASN B 9 7.487 -7.638 -0.295 1.00 30.31 N ATOM 0 H ASN B 9 10.200 -6.013 2.289 1.00 40.40 H new ATOM 0 HA ASN B 9 10.742 -5.642 -0.432 1.00 12.51 H new ATOM 0 HB2 ASN B 9 8.186 -5.220 1.207 1.00 42.13 H new ATOM 0 HB3 ASN B 9 8.220 -5.215 -0.545 1.00 42.13 H new ATOM 0 HD21 ASN B 9 7.333 -8.646 -0.329 1.00 30.31 H new ATOM 0 HD22 ASN B 9 6.826 -7.005 -0.746 1.00 30.31 H new ATOM 1437 N ALA B 10 10.040 -2.818 1.185 1.00 2.35 N ATOM 1438 CA ALA B 10 10.007 -1.334 1.085 1.00 10.45 C ATOM 1439 C ALA B 10 11.387 -0.750 0.725 1.00 72.12 C ATOM 1440 O ALA B 10 11.485 0.183 -0.076 1.00 43.42 O ATOM 1441 CB ALA B 10 9.509 -0.728 2.399 1.00 34.23 C ATOM 0 H ALA B 10 9.877 -3.169 2.129 1.00 2.35 H new ATOM 0 HA ALA B 10 9.319 -1.075 0.280 1.00 10.45 H new ATOM 0 HB1 ALA B 10 9.489 0.359 2.314 1.00 34.23 H new ATOM 0 HB2 ALA B 10 8.504 -1.094 2.611 1.00 34.23 H new ATOM 0 HB3 ALA B 10 10.178 -1.016 3.209 1.00 34.23 H new ATOM 1447 N GLY B 11 12.448 -1.331 1.317 1.00 11.20 N ATOM 1448 CA GLY B 11 13.828 -0.920 1.022 1.00 4.43 C ATOM 1449 C GLY B 11 14.198 -1.118 -0.453 1.00 34.34 C ATOM 1450 O GLY B 11 14.780 -0.230 -1.086 1.00 23.21 O ATOM 0 H GLY B 11 12.373 -2.084 2.000 1.00 11.20 H new ATOM 0 HA2 GLY B 11 13.956 0.129 1.287 1.00 4.43 H new ATOM 0 HA3 GLY B 11 14.515 -1.492 1.645 1.00 4.43 H new ATOM 1454 N LYS B 12 13.802 -2.283 -0.999 1.00 62.03 N ATOM 1455 CA LYS B 12 14.031 -2.654 -2.415 1.00 13.25 C ATOM 1456 C LYS B 12 13.194 -1.769 -3.387 1.00 2.21 C ATOM 1457 O LYS B 12 13.701 -1.320 -4.422 1.00 53.21 O ATOM 1458 CB LYS B 12 13.695 -4.156 -2.617 1.00 1.12 C ATOM 1459 CG LYS B 12 13.969 -4.687 -4.040 1.00 12.34 C ATOM 1460 CD LYS B 12 13.749 -6.209 -4.167 1.00 61.42 C ATOM 1461 CE LYS B 12 14.112 -6.729 -5.566 1.00 10.13 C ATOM 1462 NZ LYS B 12 15.525 -6.438 -5.927 1.00 24.01 N ATOM 0 H LYS B 12 13.310 -3.002 -0.468 1.00 62.03 H new ATOM 0 HA LYS B 12 15.082 -2.481 -2.649 1.00 13.25 H new ATOM 0 HB2 LYS B 12 14.275 -4.744 -1.906 1.00 1.12 H new ATOM 0 HB3 LYS B 12 12.643 -4.315 -2.380 1.00 1.12 H new ATOM 0 HG2 LYS B 12 13.318 -4.171 -4.746 1.00 12.34 H new ATOM 0 HG3 LYS B 12 14.995 -4.449 -4.320 1.00 12.34 H new ATOM 0 HD2 LYS B 12 14.352 -6.726 -3.421 1.00 61.42 H new ATOM 0 HD3 LYS B 12 12.706 -6.444 -3.952 1.00 61.42 H new ATOM 0 HE2 LYS B 12 13.943 -7.805 -5.606 1.00 10.13 H new ATOM 0 HE3 LYS B 12 13.450 -6.275 -6.303 1.00 10.13 H new ATOM 0 HZ1 LYS B 12 15.794 -7.002 -6.759 1.00 24.01 H new ATOM 0 HZ2 LYS B 12 15.626 -5.427 -6.147 1.00 24.01 H new ATOM 0 HZ3 LYS B 12 16.145 -6.682 -5.128 1.00 24.01 H new ATOM 1476 N VAL B 13 11.915 -1.534 -3.023 1.00 2.12 N ATOM 1477 CA VAL B 13 10.980 -0.652 -3.777 1.00 3.11 C ATOM 1478 C VAL B 13 11.535 0.794 -3.914 1.00 41.21 C ATOM 1479 O VAL B 13 11.504 1.395 -4.997 1.00 65.43 O ATOM 1480 CB VAL B 13 9.547 -0.660 -3.092 1.00 60.35 C ATOM 1481 CG1 VAL B 13 8.640 0.485 -3.599 1.00 61.25 C ATOM 1482 CG2 VAL B 13 8.848 -2.031 -3.307 1.00 75.43 C ATOM 0 H VAL B 13 11.493 -1.951 -2.193 1.00 2.12 H new ATOM 0 HA VAL B 13 10.882 -1.048 -4.788 1.00 3.11 H new ATOM 0 HB VAL B 13 9.706 -0.498 -2.026 1.00 60.35 H new ATOM 0 HG11 VAL B 13 7.673 0.432 -3.098 1.00 61.25 H new ATOM 0 HG12 VAL B 13 9.109 1.444 -3.382 1.00 61.25 H new ATOM 0 HG13 VAL B 13 8.497 0.387 -4.675 1.00 61.25 H new ATOM 0 HG21 VAL B 13 7.868 -2.018 -2.831 1.00 75.43 H new ATOM 0 HG22 VAL B 13 8.731 -2.216 -4.375 1.00 75.43 H new ATOM 0 HG23 VAL B 13 9.455 -2.822 -2.866 1.00 75.43 H new ATOM 1492 N TRP B 14 12.071 1.310 -2.795 1.00 10.23 N ATOM 1493 CA TRP B 14 12.670 2.664 -2.727 1.00 1.01 C ATOM 1494 C TRP B 14 13.921 2.802 -3.649 1.00 12.22 C ATOM 1495 O TRP B 14 14.181 3.877 -4.193 1.00 73.22 O ATOM 1496 CB TRP B 14 13.024 3.040 -1.260 1.00 4.31 C ATOM 1497 CG TRP B 14 13.295 4.521 -1.084 1.00 4.11 C ATOM 1498 CD1 TRP B 14 12.374 5.503 -0.871 1.00 40.15 C ATOM 1499 CD2 TRP B 14 14.565 5.180 -1.151 1.00 34.02 C ATOM 1500 NE1 TRP B 14 12.994 6.721 -0.800 1.00 35.05 N ATOM 1501 CE2 TRP B 14 14.339 6.551 -0.962 1.00 72.14 C ATOM 1502 CE3 TRP B 14 15.868 4.727 -1.342 1.00 12.33 C ATOM 1503 CZ2 TRP B 14 15.372 7.485 -0.982 1.00 1.12 C ATOM 1504 CZ3 TRP B 14 16.896 5.646 -1.352 1.00 14.40 C ATOM 1505 CH2 TRP B 14 16.646 7.014 -1.171 1.00 35.22 C ATOM 0 H TRP B 14 12.104 0.804 -1.910 1.00 10.23 H new ATOM 0 HA TRP B 14 11.920 3.364 -3.095 1.00 1.01 H new ATOM 0 HB2 TRP B 14 12.204 2.745 -0.606 1.00 4.31 H new ATOM 0 HB3 TRP B 14 13.901 2.475 -0.946 1.00 4.31 H new ATOM 0 HD1 TRP B 14 11.310 5.343 -0.773 1.00 40.15 H new ATOM 0 HE1 TRP B 14 12.525 7.614 -0.650 1.00 35.05 H new ATOM 0 HE3 TRP B 14 16.070 3.675 -1.480 1.00 12.33 H new ATOM 0 HZ2 TRP B 14 15.177 8.540 -0.854 1.00 1.12 H new ATOM 0 HZ3 TRP B 14 17.910 5.307 -1.502 1.00 14.40 H new ATOM 0 HH2 TRP B 14 17.472 7.710 -1.181 1.00 35.22 H new ATOM 1516 N HIS B 15 14.695 1.706 -3.807 1.00 15.12 N ATOM 1517 CA HIS B 15 15.920 1.682 -4.661 1.00 34.44 C ATOM 1518 C HIS B 15 15.627 1.989 -6.156 1.00 33.00 C ATOM 1519 O HIS B 15 16.485 2.535 -6.858 1.00 72.53 O ATOM 1520 CB HIS B 15 16.663 0.332 -4.521 1.00 61.35 C ATOM 1521 CG HIS B 15 17.236 0.075 -3.152 1.00 20.52 C ATOM 1522 ND1 HIS B 15 17.268 -1.175 -2.577 1.00 73.44 N ATOM 1523 CD2 HIS B 15 17.837 0.906 -2.264 1.00 34.11 C ATOM 1524 CE1 HIS B 15 17.859 -1.110 -1.403 1.00 40.44 C ATOM 1525 NE2 HIS B 15 18.215 0.140 -1.189 1.00 45.04 N ATOM 0 H HIS B 15 14.497 0.815 -3.353 1.00 15.12 H new ATOM 0 HA HIS B 15 16.563 2.483 -4.297 1.00 34.44 H new ATOM 0 HB2 HIS B 15 15.974 -0.475 -4.770 1.00 61.35 H new ATOM 0 HB3 HIS B 15 17.471 0.299 -5.252 1.00 61.35 H new ATOM 0 HD2 HIS B 15 17.989 1.969 -2.381 1.00 34.11 H new ATOM 0 HE1 HIS B 15 18.024 -1.939 -0.731 1.00 40.44 H new ATOM 0 HE2 HIS B 15 18.695 0.484 -0.357 1.00 45.04 H new ATOM 1534 N ALA B 16 14.425 1.622 -6.637 1.00 31.13 N ATOM 1535 CA ALA B 16 13.991 1.926 -8.028 1.00 35.00 C ATOM 1536 C ALA B 16 13.784 3.454 -8.264 1.00 21.45 C ATOM 1537 O ALA B 16 13.870 3.931 -9.398 1.00 44.32 O ATOM 1538 CB ALA B 16 12.709 1.152 -8.354 1.00 54.11 C ATOM 0 H ALA B 16 13.731 1.114 -6.088 1.00 31.13 H new ATOM 0 HA ALA B 16 14.789 1.608 -8.699 1.00 35.00 H new ATOM 0 HB1 ALA B 16 12.396 1.379 -9.373 1.00 54.11 H new ATOM 0 HB2 ALA B 16 12.896 0.082 -8.261 1.00 54.11 H new ATOM 0 HB3 ALA B 16 11.921 1.444 -7.660 1.00 54.11 H new ATOM 1544 N LEU B 17 13.494 4.204 -7.178 1.00 11.00 N ATOM 1545 CA LEU B 17 13.379 5.688 -7.211 1.00 60.34 C ATOM 1546 C LEU B 17 14.750 6.389 -7.414 1.00 73.50 C ATOM 1547 O LEU B 17 14.810 7.545 -7.864 1.00 63.43 O ATOM 1548 CB LEU B 17 12.723 6.189 -5.897 1.00 10.25 C ATOM 1549 CG LEU B 17 11.255 5.737 -5.649 1.00 44.13 C ATOM 1550 CD1 LEU B 17 10.743 6.243 -4.284 1.00 21.21 C ATOM 1551 CD2 LEU B 17 10.339 6.196 -6.805 1.00 34.03 C ATOM 0 H LEU B 17 13.333 3.804 -6.254 1.00 11.00 H new ATOM 0 HA LEU B 17 12.756 5.946 -8.067 1.00 60.34 H new ATOM 0 HB2 LEU B 17 13.332 5.851 -5.059 1.00 10.25 H new ATOM 0 HB3 LEU B 17 12.752 7.279 -5.893 1.00 10.25 H new ATOM 0 HG LEU B 17 11.233 4.648 -5.621 1.00 44.13 H new ATOM 0 HD11 LEU B 17 9.715 5.913 -4.136 1.00 21.21 H new ATOM 0 HD12 LEU B 17 11.371 5.842 -3.488 1.00 21.21 H new ATOM 0 HD13 LEU B 17 10.781 7.332 -4.262 1.00 21.21 H new ATOM 0 HD21 LEU B 17 9.317 5.869 -6.611 1.00 34.03 H new ATOM 0 HD22 LEU B 17 10.364 7.283 -6.880 1.00 34.03 H new ATOM 0 HD23 LEU B 17 10.688 5.760 -7.741 1.00 34.03 H new ATOM 1563 N ASN B 18 15.848 5.676 -7.086 1.00 31.02 N ATOM 1564 CA ASN B 18 17.235 6.202 -7.183 1.00 44.50 C ATOM 1565 C ASN B 18 17.639 6.504 -8.654 1.00 63.32 C ATOM 1566 O ASN B 18 18.443 7.409 -8.911 1.00 12.00 O ATOM 1567 CB ASN B 18 18.215 5.189 -6.527 1.00 24.02 C ATOM 1568 CG ASN B 18 19.671 5.665 -6.480 1.00 65.41 C ATOM 1569 OD1 ASN B 18 20.083 6.345 -5.549 1.00 4.32 O ATOM 1570 ND2 ASN B 18 20.463 5.301 -7.473 1.00 13.14 N ATOM 0 H ASN B 18 15.802 4.716 -6.745 1.00 31.02 H new ATOM 0 HA ASN B 18 17.285 7.150 -6.647 1.00 44.50 H new ATOM 0 HB2 ASN B 18 17.879 4.981 -5.511 1.00 24.02 H new ATOM 0 HB3 ASN B 18 18.169 4.249 -7.076 1.00 24.02 H new ATOM 0 HD21 ASN B 18 21.442 5.587 -7.475 1.00 13.14 H new ATOM 0 HD22 ASN B 18 20.095 4.734 -8.237 1.00 13.14 H new ATOM 1577 N GLU B 19 17.073 5.741 -9.610 1.00 14.13 N ATOM 1578 CA GLU B 19 17.321 5.949 -11.056 1.00 2.04 C ATOM 1579 C GLU B 19 16.268 6.908 -11.673 1.00 0.31 C ATOM 1580 O GLU B 19 16.602 7.713 -12.550 1.00 51.10 O ATOM 1581 CB GLU B 19 17.329 4.591 -11.810 1.00 22.30 C ATOM 1582 CG GLU B 19 15.986 3.838 -11.798 1.00 12.43 C ATOM 1583 CD GLU B 19 16.030 2.505 -12.551 1.00 2.50 C ATOM 1584 OE1 GLU B 19 15.897 2.500 -13.796 1.00 11.44 O ATOM 1585 OE2 GLU B 19 16.191 1.444 -11.909 1.00 34.33 O ATOM 0 H GLU B 19 16.437 4.970 -9.408 1.00 14.13 H new ATOM 0 HA GLU B 19 18.302 6.412 -11.164 1.00 2.04 H new ATOM 0 HB2 GLU B 19 17.621 4.768 -12.845 1.00 22.30 H new ATOM 0 HB3 GLU B 19 18.093 3.951 -11.368 1.00 22.30 H new ATOM 0 HG2 GLU B 19 15.690 3.654 -10.765 1.00 12.43 H new ATOM 0 HG3 GLU B 19 15.218 4.472 -12.241 1.00 12.43 H new ATOM 1592 N ALA B 20 14.998 6.823 -11.193 1.00 73.52 N ATOM 1593 CA ALA B 20 13.869 7.609 -11.752 1.00 45.41 C ATOM 1594 C ALA B 20 12.639 7.629 -10.808 1.00 4.02 C ATOM 1595 O ALA B 20 11.998 6.595 -10.582 1.00 51.34 O ATOM 1596 CB ALA B 20 13.467 7.066 -13.143 1.00 2.12 C ATOM 0 H ALA B 20 14.732 6.216 -10.418 1.00 73.52 H new ATOM 0 HA ALA B 20 14.216 8.637 -11.854 1.00 45.41 H new ATOM 0 HB1 ALA B 20 12.638 7.654 -13.537 1.00 2.12 H new ATOM 0 HB2 ALA B 20 14.317 7.137 -13.821 1.00 2.12 H new ATOM 0 HB3 ALA B 20 13.162 6.024 -13.052 1.00 2.12 H new ATOM 1602 N ASP B 21 12.334 8.816 -10.249 1.00 55.01 N ATOM 1603 CA ASP B 21 11.046 9.095 -9.563 1.00 62.31 C ATOM 1604 C ASP B 21 9.935 9.413 -10.593 1.00 71.30 C ATOM 1605 O ASP B 21 10.199 9.455 -11.801 1.00 23.44 O ATOM 1606 CB ASP B 21 11.216 10.276 -8.579 1.00 23.55 C ATOM 1607 CG ASP B 21 11.589 11.603 -9.263 1.00 62.14 C ATOM 1608 OD1 ASP B 21 12.737 11.735 -9.745 1.00 61.43 O ATOM 1609 OD2 ASP B 21 10.736 12.508 -9.331 1.00 21.43 O ATOM 0 H ASP B 21 12.971 9.613 -10.257 1.00 55.01 H new ATOM 0 HA ASP B 21 10.751 8.206 -9.005 1.00 62.31 H new ATOM 0 HB2 ASP B 21 10.287 10.412 -8.025 1.00 23.55 H new ATOM 0 HB3 ASP B 21 11.987 10.023 -7.852 1.00 23.55 H new ATOM 1614 N GLY B 22 8.701 9.675 -10.115 1.00 50.41 N ATOM 1615 CA GLY B 22 7.565 9.919 -11.023 1.00 75.22 C ATOM 1616 C GLY B 22 7.172 8.659 -11.780 1.00 75.13 C ATOM 1617 O GLY B 22 7.240 8.598 -13.017 1.00 32.53 O ATOM 0 H GLY B 22 8.469 9.722 -9.123 1.00 50.41 H new ATOM 0 HA2 GLY B 22 6.711 10.281 -10.450 1.00 75.22 H new ATOM 0 HA3 GLY B 22 7.828 10.703 -11.733 1.00 75.22 H new ATOM 1621 N ILE B 23 6.777 7.647 -11.004 1.00 4.14 N ATOM 1622 CA ILE B 23 6.508 6.292 -11.494 1.00 43.40 C ATOM 1623 C ILE B 23 5.272 5.704 -10.774 1.00 65.32 C ATOM 1624 O ILE B 23 5.060 5.941 -9.577 1.00 2.23 O ATOM 1625 CB ILE B 23 7.792 5.386 -11.302 1.00 33.14 C ATOM 1626 CG1 ILE B 23 7.605 3.971 -11.930 1.00 60.51 C ATOM 1627 CG2 ILE B 23 8.213 5.284 -9.813 1.00 33.32 C ATOM 1628 CD1 ILE B 23 8.856 3.099 -11.923 1.00 13.43 C ATOM 0 H ILE B 23 6.632 7.748 -9.999 1.00 4.14 H new ATOM 0 HA ILE B 23 6.282 6.324 -12.560 1.00 43.40 H new ATOM 0 HB ILE B 23 8.603 5.879 -11.838 1.00 33.14 H new ATOM 0 HG12 ILE B 23 6.813 3.451 -11.390 1.00 60.51 H new ATOM 0 HG13 ILE B 23 7.266 4.087 -12.959 1.00 60.51 H new ATOM 0 HG21 ILE B 23 9.098 4.653 -9.727 1.00 33.32 H new ATOM 0 HG22 ILE B 23 8.438 6.279 -9.430 1.00 33.32 H new ATOM 0 HG23 ILE B 23 7.399 4.848 -9.234 1.00 33.32 H new ATOM 0 HD11 ILE B 23 8.630 2.135 -12.379 1.00 13.43 H new ATOM 0 HD12 ILE B 23 9.646 3.592 -12.489 1.00 13.43 H new ATOM 0 HD13 ILE B 23 9.187 2.946 -10.896 1.00 13.43 H new ATOM 1640 N SER B 24 4.431 4.977 -11.524 1.00 50.15 N ATOM 1641 CA SER B 24 3.227 4.318 -10.974 1.00 1.22 C ATOM 1642 C SER B 24 3.583 2.953 -10.353 1.00 5.42 C ATOM 1643 O SER B 24 4.620 2.364 -10.675 1.00 52.32 O ATOM 1644 CB SER B 24 2.156 4.147 -12.076 1.00 13.23 C ATOM 1645 OG SER B 24 1.706 5.405 -12.575 1.00 22.03 O ATOM 0 H SER B 24 4.561 4.827 -12.524 1.00 50.15 H new ATOM 0 HA SER B 24 2.820 4.953 -10.187 1.00 1.22 H new ATOM 0 HB2 SER B 24 2.568 3.557 -12.895 1.00 13.23 H new ATOM 0 HB3 SER B 24 1.309 3.590 -11.676 1.00 13.23 H new ATOM 0 HG SER B 24 1.031 5.259 -13.271 1.00 22.03 H new ATOM 1651 N ILE B 25 2.686 2.449 -9.491 1.00 53.31 N ATOM 1652 CA ILE B 25 2.905 1.214 -8.699 1.00 25.01 C ATOM 1653 C ILE B 25 3.160 -0.073 -9.578 1.00 64.50 C ATOM 1654 O ILE B 25 4.075 -0.828 -9.255 1.00 35.31 O ATOM 1655 CB ILE B 25 1.705 0.971 -7.699 1.00 1.34 C ATOM 1656 CG1 ILE B 25 1.481 2.235 -6.802 1.00 0.32 C ATOM 1657 CG2 ILE B 25 1.917 -0.302 -6.841 1.00 71.55 C ATOM 1658 CD1 ILE B 25 0.288 2.161 -5.852 1.00 15.03 C ATOM 0 H ILE B 25 1.780 2.885 -9.318 1.00 53.31 H new ATOM 0 HA ILE B 25 3.823 1.382 -8.135 1.00 25.01 H new ATOM 0 HB ILE B 25 0.804 0.804 -8.290 1.00 1.34 H new ATOM 0 HG12 ILE B 25 2.382 2.406 -6.213 1.00 0.32 H new ATOM 0 HG13 ILE B 25 1.354 3.102 -7.450 1.00 0.32 H new ATOM 0 HG21 ILE B 25 1.070 -0.432 -6.168 1.00 71.55 H new ATOM 0 HG22 ILE B 25 1.999 -1.171 -7.494 1.00 71.55 H new ATOM 0 HG23 ILE B 25 2.832 -0.199 -6.257 1.00 71.55 H new ATOM 0 HD11 ILE B 25 0.222 3.085 -5.278 1.00 15.03 H new ATOM 0 HD12 ILE B 25 -0.628 2.026 -6.428 1.00 15.03 H new ATOM 0 HD13 ILE B 25 0.416 1.319 -5.171 1.00 15.03 H new ATOM 1670 N PRO B 26 2.379 -0.364 -10.698 1.00 14.21 N ATOM 1671 CA PRO B 26 2.650 -1.559 -11.567 1.00 2.54 C ATOM 1672 C PRO B 26 3.998 -1.486 -12.357 1.00 40.42 C ATOM 1673 O PRO B 26 4.617 -2.519 -12.634 1.00 32.23 O ATOM 1674 CB PRO B 26 1.427 -1.592 -12.530 1.00 41.12 C ATOM 1675 CG PRO B 26 0.953 -0.170 -12.578 1.00 33.10 C ATOM 1676 CD PRO B 26 1.166 0.371 -11.180 1.00 43.20 C ATOM 0 HA PRO B 26 2.764 -2.462 -10.967 1.00 2.54 H new ATOM 0 HB2 PRO B 26 1.710 -1.950 -13.520 1.00 41.12 H new ATOM 0 HB3 PRO B 26 0.648 -2.259 -12.160 1.00 41.12 H new ATOM 0 HG2 PRO B 26 1.515 0.407 -13.313 1.00 33.10 H new ATOM 0 HG3 PRO B 26 -0.097 -0.115 -12.865 1.00 33.10 H new ATOM 0 HD2 PRO B 26 1.327 1.449 -11.188 1.00 43.20 H new ATOM 0 HD3 PRO B 26 0.303 0.182 -10.541 1.00 43.20 H new ATOM 1684 N GLU B 27 4.446 -0.255 -12.688 1.00 40.03 N ATOM 1685 CA GLU B 27 5.723 -0.006 -13.418 1.00 65.12 C ATOM 1686 C GLU B 27 6.915 -0.289 -12.487 1.00 13.12 C ATOM 1687 O GLU B 27 7.900 -0.936 -12.844 1.00 70.13 O ATOM 1688 CB GLU B 27 5.790 1.471 -13.879 1.00 12.24 C ATOM 1689 CG GLU B 27 4.627 1.941 -14.765 1.00 33.54 C ATOM 1690 CD GLU B 27 4.821 3.382 -15.266 1.00 23.12 C ATOM 1691 OE1 GLU B 27 4.567 4.332 -14.501 1.00 21.14 O ATOM 1692 OE2 GLU B 27 5.270 3.571 -16.420 1.00 30.24 O ATOM 0 H GLU B 27 3.937 0.599 -12.459 1.00 40.03 H new ATOM 0 HA GLU B 27 5.764 -0.663 -14.287 1.00 65.12 H new ATOM 0 HB2 GLU B 27 5.831 2.108 -12.995 1.00 12.24 H new ATOM 0 HB3 GLU B 27 6.722 1.621 -14.423 1.00 12.24 H new ATOM 0 HG2 GLU B 27 4.531 1.271 -15.620 1.00 33.54 H new ATOM 0 HG3 GLU B 27 3.695 1.876 -14.203 1.00 33.54 H new ATOM 1699 N LEU B 28 6.776 0.261 -11.286 1.00 10.30 N ATOM 1700 CA LEU B 28 7.666 0.054 -10.140 1.00 43.21 C ATOM 1701 C LEU B 28 7.760 -1.447 -9.750 1.00 14.10 C ATOM 1702 O LEU B 28 8.852 -1.972 -9.520 1.00 31.22 O ATOM 1703 CB LEU B 28 7.071 0.912 -8.994 1.00 11.42 C ATOM 1704 CG LEU B 28 7.735 0.836 -7.601 1.00 52.11 C ATOM 1705 CD1 LEU B 28 9.197 1.320 -7.626 1.00 25.24 C ATOM 1706 CD2 LEU B 28 6.885 1.626 -6.584 1.00 45.14 C ATOM 0 H LEU B 28 6.005 0.893 -11.071 1.00 10.30 H new ATOM 0 HA LEU B 28 8.689 0.352 -10.369 1.00 43.21 H new ATOM 0 HB2 LEU B 28 7.089 1.954 -9.315 1.00 11.42 H new ATOM 0 HB3 LEU B 28 6.024 0.632 -8.879 1.00 11.42 H new ATOM 0 HG LEU B 28 7.773 -0.209 -7.292 1.00 52.11 H new ATOM 0 HD11 LEU B 28 9.621 1.248 -6.625 1.00 25.24 H new ATOM 0 HD12 LEU B 28 9.774 0.698 -8.310 1.00 25.24 H new ATOM 0 HD13 LEU B 28 9.231 2.357 -7.961 1.00 25.24 H new ATOM 0 HD21 LEU B 28 7.352 1.573 -5.601 1.00 45.14 H new ATOM 0 HD22 LEU B 28 6.817 2.668 -6.898 1.00 45.14 H new ATOM 0 HD23 LEU B 28 5.885 1.196 -6.534 1.00 45.14 H new ATOM 1718 N ALA B 29 6.591 -2.122 -9.734 1.00 63.32 N ATOM 1719 CA ALA B 29 6.446 -3.543 -9.329 1.00 61.21 C ATOM 1720 C ALA B 29 7.280 -4.518 -10.198 1.00 72.14 C ATOM 1721 O ALA B 29 7.968 -5.403 -9.670 1.00 54.34 O ATOM 1722 CB ALA B 29 4.959 -3.938 -9.360 1.00 41.35 C ATOM 0 H ALA B 29 5.707 -1.692 -10.005 1.00 63.32 H new ATOM 0 HA ALA B 29 6.838 -3.628 -8.316 1.00 61.21 H new ATOM 0 HB1 ALA B 29 4.853 -4.981 -9.063 1.00 41.35 H new ATOM 0 HB2 ALA B 29 4.400 -3.306 -8.670 1.00 41.35 H new ATOM 0 HB3 ALA B 29 4.569 -3.807 -10.369 1.00 41.35 H new ATOM 1728 N ARG B 30 7.223 -4.333 -11.531 1.00 23.35 N ATOM 1729 CA ARG B 30 7.920 -5.217 -12.504 1.00 30.24 C ATOM 1730 C ARG B 30 9.460 -5.014 -12.465 1.00 10.04 C ATOM 1731 O ARG B 30 10.222 -5.907 -12.856 1.00 60.54 O ATOM 1732 CB ARG B 30 7.359 -4.990 -13.940 1.00 54.44 C ATOM 1733 CG ARG B 30 7.727 -3.633 -14.588 1.00 24.44 C ATOM 1734 CD ARG B 30 7.010 -3.383 -15.933 1.00 4.33 C ATOM 1735 NE ARG B 30 7.165 -4.498 -16.890 1.00 12.34 N ATOM 1736 CZ ARG B 30 8.171 -4.678 -17.727 1.00 52.40 C ATOM 1737 NH1 ARG B 30 9.184 -3.869 -17.758 1.00 5.22 N ATOM 1738 NH2 ARG B 30 8.150 -5.693 -18.526 1.00 33.04 N ATOM 0 H ARG B 30 6.699 -3.575 -11.968 1.00 23.35 H new ATOM 0 HA ARG B 30 7.727 -6.250 -12.216 1.00 30.24 H new ATOM 0 HB2 ARG B 30 7.721 -5.791 -14.584 1.00 54.44 H new ATOM 0 HB3 ARG B 30 6.273 -5.075 -13.905 1.00 54.44 H new ATOM 0 HG2 ARG B 30 7.477 -2.829 -13.896 1.00 24.44 H new ATOM 0 HG3 ARG B 30 8.805 -3.594 -14.746 1.00 24.44 H new ATOM 0 HD2 ARG B 30 5.949 -3.217 -15.747 1.00 4.33 H new ATOM 0 HD3 ARG B 30 7.401 -2.470 -16.382 1.00 4.33 H new ATOM 0 HE ARG B 30 6.423 -5.197 -16.906 1.00 12.34 H new ATOM 0 HH11 ARG B 30 9.218 -3.069 -17.126 1.00 5.22 H new ATOM 0 HH12 ARG B 30 9.947 -4.032 -18.415 1.00 5.22 H new ATOM 0 HH21 ARG B 30 7.364 -6.342 -18.505 1.00 33.04 H new ATOM 0 HH22 ARG B 30 8.920 -5.845 -19.178 1.00 33.04 H new ATOM 1752 N LYS B 31 9.898 -3.825 -11.997 1.00 32.52 N ATOM 1753 CA LYS B 31 11.329 -3.497 -11.791 1.00 14.33 C ATOM 1754 C LYS B 31 11.864 -4.127 -10.483 1.00 54.53 C ATOM 1755 O LYS B 31 12.958 -4.699 -10.460 1.00 22.34 O ATOM 1756 CB LYS B 31 11.509 -1.955 -11.755 1.00 65.50 C ATOM 1757 CG LYS B 31 11.183 -1.246 -13.087 1.00 33.12 C ATOM 1758 CD LYS B 31 11.255 0.300 -12.992 1.00 71.51 C ATOM 1759 CE LYS B 31 12.627 0.822 -12.522 1.00 31.54 C ATOM 1760 NZ LYS B 31 13.734 0.374 -13.405 1.00 43.41 N ATOM 0 H LYS B 31 9.268 -3.062 -11.750 1.00 32.52 H new ATOM 0 HA LYS B 31 11.902 -3.912 -12.621 1.00 14.33 H new ATOM 0 HB2 LYS B 31 10.870 -1.545 -10.973 1.00 65.50 H new ATOM 0 HB3 LYS B 31 12.538 -1.727 -11.478 1.00 65.50 H new ATOM 0 HG2 LYS B 31 11.879 -1.589 -13.853 1.00 33.12 H new ATOM 0 HG3 LYS B 31 10.184 -1.537 -13.411 1.00 33.12 H new ATOM 0 HD2 LYS B 31 11.027 0.727 -13.968 1.00 71.51 H new ATOM 0 HD3 LYS B 31 10.486 0.650 -12.303 1.00 71.51 H new ATOM 0 HE2 LYS B 31 12.608 1.911 -12.492 1.00 31.54 H new ATOM 0 HE3 LYS B 31 12.815 0.478 -11.505 1.00 31.54 H new ATOM 0 HZ1 LYS B 31 14.360 -0.268 -12.878 1.00 43.41 H new ATOM 0 HZ2 LYS B 31 13.341 -0.125 -14.229 1.00 43.41 H new ATOM 0 HZ3 LYS B 31 14.277 1.200 -13.727 1.00 43.41 H new ATOM 1774 N VAL B 32 11.075 -4.014 -9.390 1.00 0.11 N ATOM 1775 CA VAL B 32 11.452 -4.546 -8.049 1.00 15.35 C ATOM 1776 C VAL B 32 11.059 -6.035 -7.872 1.00 2.50 C ATOM 1777 O VAL B 32 11.196 -6.593 -6.779 1.00 31.12 O ATOM 1778 CB VAL B 32 10.831 -3.668 -6.900 1.00 12.24 C ATOM 1779 CG1 VAL B 32 11.247 -2.188 -7.073 1.00 22.14 C ATOM 1780 CG2 VAL B 32 9.287 -3.812 -6.821 1.00 64.44 C ATOM 0 H VAL B 32 10.164 -3.556 -9.406 1.00 0.11 H new ATOM 0 HA VAL B 32 12.539 -4.491 -7.983 1.00 15.35 H new ATOM 0 HB VAL B 32 11.227 -4.034 -5.953 1.00 12.24 H new ATOM 0 HG11 VAL B 32 10.811 -1.591 -6.272 1.00 22.14 H new ATOM 0 HG12 VAL B 32 12.333 -2.109 -7.034 1.00 22.14 H new ATOM 0 HG13 VAL B 32 10.890 -1.820 -8.035 1.00 22.14 H new ATOM 0 HG21 VAL B 32 8.904 -3.188 -6.014 1.00 64.44 H new ATOM 0 HG22 VAL B 32 8.843 -3.496 -7.765 1.00 64.44 H new ATOM 0 HG23 VAL B 32 9.028 -4.853 -6.629 1.00 64.44 H new ATOM 1790 N ASN B 33 10.542 -6.645 -8.963 1.00 72.25 N ATOM 1791 CA ASN B 33 10.268 -8.104 -9.071 1.00 72.54 C ATOM 1792 C ASN B 33 9.145 -8.581 -8.083 1.00 50.14 C ATOM 1793 O ASN B 33 8.982 -9.782 -7.836 1.00 23.22 O ATOM 1794 CB ASN B 33 11.608 -8.898 -8.892 1.00 54.42 C ATOM 1795 CG ASN B 33 11.571 -10.329 -9.439 1.00 33.14 C ATOM 1796 OD1 ASN B 33 11.280 -11.286 -8.726 1.00 34.25 O ATOM 1797 ND2 ASN B 33 11.861 -10.487 -10.719 1.00 61.25 N ATOM 0 H ASN B 33 10.298 -6.132 -9.810 1.00 72.25 H new ATOM 0 HA ASN B 33 9.874 -8.311 -10.066 1.00 72.54 H new ATOM 0 HB2 ASN B 33 12.409 -8.352 -9.390 1.00 54.42 H new ATOM 0 HB3 ASN B 33 11.857 -8.933 -7.831 1.00 54.42 H new ATOM 0 HD21 ASN B 33 11.846 -11.419 -11.134 1.00 61.25 H new ATOM 0 HD22 ASN B 33 12.100 -9.677 -11.292 1.00 61.25 H new ATOM 1804 N LEU B 34 8.342 -7.629 -7.565 1.00 4.04 N ATOM 1805 CA LEU B 34 7.216 -7.921 -6.637 1.00 44.41 C ATOM 1806 C LEU B 34 5.859 -7.684 -7.334 1.00 12.13 C ATOM 1807 O LEU B 34 5.785 -6.954 -8.324 1.00 13.03 O ATOM 1808 CB LEU B 34 7.323 -7.025 -5.368 1.00 53.14 C ATOM 1809 CG LEU B 34 8.661 -7.138 -4.566 1.00 40.51 C ATOM 1810 CD1 LEU B 34 8.720 -6.110 -3.421 1.00 73.11 C ATOM 1811 CD2 LEU B 34 8.885 -8.579 -4.047 1.00 74.40 C ATOM 0 H LEU B 34 8.451 -6.637 -7.774 1.00 4.04 H new ATOM 0 HA LEU B 34 7.277 -8.969 -6.342 1.00 44.41 H new ATOM 0 HB2 LEU B 34 7.188 -5.986 -5.668 1.00 53.14 H new ATOM 0 HB3 LEU B 34 6.499 -7.274 -4.700 1.00 53.14 H new ATOM 0 HG LEU B 34 9.476 -6.906 -5.252 1.00 40.51 H new ATOM 0 HD11 LEU B 34 9.663 -6.217 -2.885 1.00 73.11 H new ATOM 0 HD12 LEU B 34 8.648 -5.103 -3.832 1.00 73.11 H new ATOM 0 HD13 LEU B 34 7.891 -6.282 -2.735 1.00 73.11 H new ATOM 0 HD21 LEU B 34 9.823 -8.625 -3.494 1.00 74.40 H new ATOM 0 HD22 LEU B 34 8.062 -8.861 -3.390 1.00 74.40 H new ATOM 0 HD23 LEU B 34 8.928 -9.267 -4.891 1.00 74.40 H new ATOM 1823 N SER B 35 4.787 -8.312 -6.811 1.00 44.04 N ATOM 1824 CA SER B 35 3.394 -8.065 -7.279 1.00 3.33 C ATOM 1825 C SER B 35 2.943 -6.627 -6.951 1.00 20.22 C ATOM 1826 O SER B 35 3.425 -6.035 -5.982 1.00 4.22 O ATOM 1827 CB SER B 35 2.414 -9.076 -6.632 1.00 1.53 C ATOM 1828 OG SER B 35 1.068 -8.846 -7.047 1.00 22.03 O ATOM 0 H SER B 35 4.853 -8.999 -6.060 1.00 44.04 H new ATOM 0 HA SER B 35 3.383 -8.196 -8.361 1.00 3.33 H new ATOM 0 HB2 SER B 35 2.709 -10.091 -6.899 1.00 1.53 H new ATOM 0 HB3 SER B 35 2.478 -9.001 -5.546 1.00 1.53 H new ATOM 0 HG SER B 35 0.478 -9.502 -6.621 1.00 22.03 H new ATOM 1834 N VAL B 36 2.001 -6.089 -7.753 1.00 40.44 N ATOM 1835 CA VAL B 36 1.471 -4.705 -7.589 1.00 0.13 C ATOM 1836 C VAL B 36 0.950 -4.449 -6.147 1.00 15.21 C ATOM 1837 O VAL B 36 1.230 -3.404 -5.549 1.00 0.15 O ATOM 1838 CB VAL B 36 0.329 -4.413 -8.633 1.00 61.52 C ATOM 1839 CG1 VAL B 36 -0.245 -2.974 -8.490 1.00 53.54 C ATOM 1840 CG2 VAL B 36 0.827 -4.677 -10.075 1.00 44.12 C ATOM 0 H VAL B 36 1.582 -6.595 -8.533 1.00 40.44 H new ATOM 0 HA VAL B 36 2.302 -4.024 -7.771 1.00 0.13 H new ATOM 0 HB VAL B 36 -0.490 -5.100 -8.420 1.00 61.52 H new ATOM 0 HG11 VAL B 36 -1.029 -2.820 -9.231 1.00 53.54 H new ATOM 0 HG12 VAL B 36 -0.660 -2.845 -7.490 1.00 53.54 H new ATOM 0 HG13 VAL B 36 0.552 -2.247 -8.648 1.00 53.54 H new ATOM 0 HG21 VAL B 36 0.023 -4.469 -10.781 1.00 44.12 H new ATOM 0 HG22 VAL B 36 1.676 -4.029 -10.291 1.00 44.12 H new ATOM 0 HG23 VAL B 36 1.133 -5.719 -10.169 1.00 44.12 H new ATOM 1850 N GLU B 37 0.212 -5.439 -5.601 1.00 40.41 N ATOM 1851 CA GLU B 37 -0.291 -5.415 -4.203 1.00 74.23 C ATOM 1852 C GLU B 37 0.865 -5.379 -3.169 1.00 43.21 C ATOM 1853 O GLU B 37 0.869 -4.543 -2.267 1.00 54.11 O ATOM 1854 CB GLU B 37 -1.183 -6.647 -3.928 1.00 52.13 C ATOM 1855 CG GLU B 37 -2.376 -6.805 -4.878 1.00 15.10 C ATOM 1856 CD GLU B 37 -3.243 -8.028 -4.539 1.00 1.05 C ATOM 1857 OE1 GLU B 37 -2.763 -9.173 -4.723 1.00 50.23 O ATOM 1858 OE2 GLU B 37 -4.391 -7.858 -4.087 1.00 70.43 O ATOM 0 H GLU B 37 -0.054 -6.280 -6.114 1.00 40.41 H new ATOM 0 HA GLU B 37 -0.876 -4.502 -4.092 1.00 74.23 H new ATOM 0 HB2 GLU B 37 -0.567 -7.544 -3.989 1.00 52.13 H new ATOM 0 HB3 GLU B 37 -1.557 -6.586 -2.906 1.00 52.13 H new ATOM 0 HG2 GLU B 37 -2.991 -5.906 -4.836 1.00 15.10 H new ATOM 0 HG3 GLU B 37 -2.012 -6.895 -5.901 1.00 15.10 H new ATOM 1865 N SER B 38 1.848 -6.294 -3.331 1.00 21.42 N ATOM 1866 CA SER B 38 3.047 -6.390 -2.443 1.00 65.30 C ATOM 1867 C SER B 38 3.902 -5.102 -2.473 1.00 65.43 C ATOM 1868 O SER B 38 4.536 -4.742 -1.476 1.00 5.11 O ATOM 1869 CB SER B 38 3.922 -7.607 -2.842 1.00 31.41 C ATOM 1870 OG SER B 38 3.237 -8.828 -2.621 1.00 11.54 O ATOM 0 H SER B 38 1.840 -6.989 -4.077 1.00 21.42 H new ATOM 0 HA SER B 38 2.679 -6.522 -1.426 1.00 65.30 H new ATOM 0 HB2 SER B 38 4.200 -7.529 -3.893 1.00 31.41 H new ATOM 0 HB3 SER B 38 4.847 -7.597 -2.266 1.00 31.41 H new ATOM 0 HG SER B 38 3.812 -9.577 -2.883 1.00 11.54 H new ATOM 1876 N THR B 39 3.888 -4.422 -3.628 1.00 3.20 N ATOM 1877 CA THR B 39 4.642 -3.174 -3.862 1.00 0.40 C ATOM 1878 C THR B 39 3.937 -1.955 -3.200 1.00 13.32 C ATOM 1879 O THR B 39 4.582 -1.182 -2.502 1.00 53.52 O ATOM 1880 CB THR B 39 4.841 -2.935 -5.399 1.00 63.51 C ATOM 1881 OG1 THR B 39 5.549 -4.050 -5.968 1.00 4.41 O ATOM 1882 CG2 THR B 39 5.619 -1.649 -5.710 1.00 15.35 C ATOM 0 H THR B 39 3.347 -4.724 -4.438 1.00 3.20 H new ATOM 0 HA THR B 39 5.622 -3.280 -3.398 1.00 0.40 H new ATOM 0 HB THR B 39 3.847 -2.833 -5.834 1.00 63.51 H new ATOM 0 HG1 THR B 39 4.946 -4.820 -6.037 1.00 4.41 H new ATOM 0 HG21 THR B 39 5.724 -1.539 -6.789 1.00 15.35 H new ATOM 0 HG22 THR B 39 5.079 -0.791 -5.309 1.00 15.35 H new ATOM 0 HG23 THR B 39 6.607 -1.702 -5.253 1.00 15.35 H new ATOM 1890 N ALA B 40 2.604 -1.820 -3.407 1.00 15.41 N ATOM 1891 CA ALA B 40 1.780 -0.717 -2.811 1.00 13.01 C ATOM 1892 C ALA B 40 1.727 -0.803 -1.262 1.00 11.43 C ATOM 1893 O ALA B 40 1.764 0.211 -0.557 1.00 20.24 O ATOM 1894 CB ALA B 40 0.354 -0.768 -3.386 1.00 42.10 C ATOM 0 H ALA B 40 2.064 -2.463 -3.986 1.00 15.41 H new ATOM 0 HA ALA B 40 2.253 0.230 -3.072 1.00 13.01 H new ATOM 0 HB1 ALA B 40 -0.242 0.034 -2.951 1.00 42.10 H new ATOM 0 HB2 ALA B 40 0.394 -0.645 -4.468 1.00 42.10 H new ATOM 0 HB3 ALA B 40 -0.101 -1.729 -3.146 1.00 42.10 H new ATOM 1900 N LEU B 41 1.626 -2.046 -0.770 1.00 62.43 N ATOM 1901 CA LEU B 41 1.674 -2.399 0.670 1.00 51.02 C ATOM 1902 C LEU B 41 3.057 -2.009 1.281 1.00 51.12 C ATOM 1903 O LEU B 41 3.131 -1.512 2.411 1.00 5.21 O ATOM 1904 CB LEU B 41 1.317 -3.932 0.773 1.00 21.12 C ATOM 1905 CG LEU B 41 1.464 -4.715 2.126 1.00 52.33 C ATOM 1906 CD1 LEU B 41 2.903 -5.219 2.340 1.00 75.34 C ATOM 1907 CD2 LEU B 41 0.935 -3.906 3.333 1.00 74.54 C ATOM 0 H LEU B 41 1.505 -2.860 -1.372 1.00 62.43 H new ATOM 0 HA LEU B 41 0.950 -1.840 1.263 1.00 51.02 H new ATOM 0 HB2 LEU B 41 0.280 -4.039 0.455 1.00 21.12 H new ATOM 0 HB3 LEU B 41 1.931 -4.451 0.037 1.00 21.12 H new ATOM 0 HG LEU B 41 0.830 -5.598 2.052 1.00 52.33 H new ATOM 0 HD11 LEU B 41 2.964 -5.756 3.287 1.00 75.34 H new ATOM 0 HD12 LEU B 41 3.179 -5.888 1.525 1.00 75.34 H new ATOM 0 HD13 LEU B 41 3.587 -4.370 2.360 1.00 75.34 H new ATOM 0 HD21 LEU B 41 1.059 -4.490 4.245 1.00 74.54 H new ATOM 0 HD22 LEU B 41 1.494 -2.975 3.420 1.00 74.54 H new ATOM 0 HD23 LEU B 41 -0.122 -3.682 3.186 1.00 74.54 H new ATOM 1919 N ALA B 42 4.139 -2.211 0.500 1.00 44.41 N ATOM 1920 CA ALA B 42 5.520 -1.819 0.896 1.00 53.13 C ATOM 1921 C ALA B 42 5.722 -0.274 0.850 1.00 13.54 C ATOM 1922 O ALA B 42 6.473 0.288 1.654 1.00 40.55 O ATOM 1923 CB ALA B 42 6.540 -2.532 -0.004 1.00 15.25 C ATOM 0 H ALA B 42 4.087 -2.648 -0.420 1.00 44.41 H new ATOM 0 HA ALA B 42 5.677 -2.128 1.929 1.00 53.13 H new ATOM 0 HB1 ALA B 42 7.549 -2.242 0.289 1.00 15.25 H new ATOM 0 HB2 ALA B 42 6.427 -3.611 0.102 1.00 15.25 H new ATOM 0 HB3 ALA B 42 6.369 -2.249 -1.043 1.00 15.25 H new ATOM 1929 N VAL B 43 5.043 0.396 -0.105 1.00 22.11 N ATOM 1930 CA VAL B 43 5.015 1.878 -0.214 1.00 70.22 C ATOM 1931 C VAL B 43 4.384 2.531 1.051 1.00 11.01 C ATOM 1932 O VAL B 43 4.824 3.600 1.485 1.00 43.11 O ATOM 1933 CB VAL B 43 4.245 2.325 -1.525 1.00 4.23 C ATOM 1934 CG1 VAL B 43 3.885 3.832 -1.527 1.00 71.45 C ATOM 1935 CG2 VAL B 43 5.061 1.962 -2.797 1.00 11.41 C ATOM 0 H VAL B 43 4.496 -0.073 -0.827 1.00 22.11 H new ATOM 0 HA VAL B 43 6.045 2.227 -0.283 1.00 70.22 H new ATOM 0 HB VAL B 43 3.305 1.773 -1.534 1.00 4.23 H new ATOM 0 HG11 VAL B 43 3.359 4.079 -2.449 1.00 71.45 H new ATOM 0 HG12 VAL B 43 3.244 4.054 -0.673 1.00 71.45 H new ATOM 0 HG13 VAL B 43 4.798 4.424 -1.460 1.00 71.45 H new ATOM 0 HG21 VAL B 43 4.512 2.279 -3.684 1.00 11.41 H new ATOM 0 HG22 VAL B 43 6.026 2.468 -2.767 1.00 11.41 H new ATOM 0 HG23 VAL B 43 5.218 0.884 -2.833 1.00 11.41 H new ATOM 1945 N GLY B 44 3.369 1.863 1.636 1.00 41.24 N ATOM 1946 CA GLY B 44 2.770 2.293 2.919 1.00 60.24 C ATOM 1947 C GLY B 44 3.769 2.326 4.093 1.00 0.11 C ATOM 1948 O GLY B 44 3.649 3.157 5.007 1.00 14.40 O ATOM 0 H GLY B 44 2.946 1.023 1.241 1.00 41.24 H new ATOM 0 HA2 GLY B 44 2.339 3.286 2.793 1.00 60.24 H new ATOM 0 HA3 GLY B 44 1.951 1.620 3.170 1.00 60.24 H new ATOM 1952 N TRP B 45 4.764 1.415 4.058 1.00 24.32 N ATOM 1953 CA TRP B 45 5.868 1.371 5.050 1.00 33.43 C ATOM 1954 C TRP B 45 6.906 2.511 4.802 1.00 44.21 C ATOM 1955 O TRP B 45 7.446 3.086 5.755 1.00 13.32 O ATOM 1956 CB TRP B 45 6.551 -0.019 5.017 1.00 4.02 C ATOM 1957 CG TRP B 45 7.591 -0.225 6.102 1.00 63.12 C ATOM 1958 CD1 TRP B 45 8.951 -0.154 5.977 1.00 12.43 C ATOM 1959 CD2 TRP B 45 7.337 -0.517 7.486 1.00 5.45 C ATOM 1960 NE1 TRP B 45 9.551 -0.416 7.181 1.00 71.13 N ATOM 1961 CE2 TRP B 45 8.583 -0.638 8.122 1.00 70.04 C ATOM 1962 CE3 TRP B 45 6.172 -0.696 8.244 1.00 45.15 C ATOM 1963 CZ2 TRP B 45 8.700 -0.924 9.483 1.00 72.22 C ATOM 1964 CZ3 TRP B 45 6.289 -0.987 9.589 1.00 50.41 C ATOM 1965 CH2 TRP B 45 7.546 -1.100 10.198 1.00 23.03 C ATOM 0 H TRP B 45 4.828 0.689 3.344 1.00 24.32 H new ATOM 0 HA TRP B 45 5.445 1.532 6.041 1.00 33.43 H new ATOM 0 HB2 TRP B 45 5.786 -0.790 5.111 1.00 4.02 H new ATOM 0 HB3 TRP B 45 7.024 -0.156 4.045 1.00 4.02 H new ATOM 0 HD1 TRP B 45 9.476 0.075 5.062 1.00 12.43 H new ATOM 0 HE1 TRP B 45 10.557 -0.441 7.348 1.00 71.13 H new ATOM 0 HE3 TRP B 45 5.199 -0.608 7.784 1.00 45.15 H new ATOM 0 HZ2 TRP B 45 9.668 -1.004 9.956 1.00 72.22 H new ATOM 0 HZ3 TRP B 45 5.397 -1.130 10.181 1.00 50.41 H new ATOM 0 HH2 TRP B 45 7.605 -1.330 11.251 1.00 23.03 H new ATOM 1976 N LEU B 46 7.172 2.836 3.519 1.00 14.42 N ATOM 1977 CA LEU B 46 8.036 3.989 3.135 1.00 60.22 C ATOM 1978 C LEU B 46 7.381 5.341 3.529 1.00 1.45 C ATOM 1979 O LEU B 46 8.074 6.306 3.877 1.00 0.41 O ATOM 1980 CB LEU B 46 8.341 3.950 1.607 1.00 44.33 C ATOM 1981 CG LEU B 46 9.287 2.811 1.119 1.00 50.52 C ATOM 1982 CD1 LEU B 46 9.426 2.792 -0.421 1.00 24.40 C ATOM 1983 CD2 LEU B 46 10.670 2.921 1.796 1.00 53.00 C ATOM 0 H LEU B 46 6.802 2.317 2.723 1.00 14.42 H new ATOM 0 HA LEU B 46 8.975 3.905 3.682 1.00 60.22 H new ATOM 0 HB2 LEU B 46 7.396 3.862 1.072 1.00 44.33 H new ATOM 0 HB3 LEU B 46 8.781 4.906 1.322 1.00 44.33 H new ATOM 0 HG LEU B 46 8.833 1.864 1.412 1.00 50.52 H new ATOM 0 HD11 LEU B 46 10.094 1.983 -0.716 1.00 24.40 H new ATOM 0 HD12 LEU B 46 8.446 2.637 -0.873 1.00 24.40 H new ATOM 0 HD13 LEU B 46 9.836 3.743 -0.761 1.00 24.40 H new ATOM 0 HD21 LEU B 46 11.314 2.116 1.441 1.00 53.00 H new ATOM 0 HD22 LEU B 46 11.121 3.882 1.549 1.00 53.00 H new ATOM 0 HD23 LEU B 46 10.553 2.842 2.877 1.00 53.00 H new ATOM 1995 N ALA B 47 6.035 5.396 3.429 1.00 13.31 N ATOM 1996 CA ALA B 47 5.205 6.529 3.913 1.00 41.31 C ATOM 1997 C ALA B 47 5.366 6.773 5.439 1.00 3.31 C ATOM 1998 O ALA B 47 5.328 7.926 5.893 1.00 12.13 O ATOM 1999 CB ALA B 47 3.726 6.283 3.554 1.00 35.44 C ATOM 0 H ALA B 47 5.485 4.648 3.006 1.00 13.31 H new ATOM 0 HA ALA B 47 5.555 7.432 3.413 1.00 41.31 H new ATOM 0 HB1 ALA B 47 3.121 7.117 3.911 1.00 35.44 H new ATOM 0 HB2 ALA B 47 3.624 6.198 2.472 1.00 35.44 H new ATOM 0 HB3 ALA B 47 3.386 5.360 4.025 1.00 35.44 H new ATOM 2005 N ARG B 48 5.530 5.674 6.219 1.00 24.04 N ATOM 2006 CA ARG B 48 5.871 5.748 7.670 1.00 55.34 C ATOM 2007 C ARG B 48 7.181 6.537 7.883 1.00 1.14 C ATOM 2008 O ARG B 48 7.272 7.410 8.756 1.00 2.24 O ATOM 2009 CB ARG B 48 6.048 4.322 8.279 1.00 73.23 C ATOM 2010 CG ARG B 48 6.499 4.313 9.764 1.00 63.33 C ATOM 2011 CD ARG B 48 6.832 2.913 10.311 1.00 51.23 C ATOM 2012 NE ARG B 48 7.277 2.981 11.722 1.00 62.20 N ATOM 2013 CZ ARG B 48 6.530 2.734 12.782 1.00 1.43 C ATOM 2014 NH1 ARG B 48 5.276 2.413 12.666 1.00 10.43 N ATOM 2015 NH2 ARG B 48 7.042 2.822 13.963 1.00 3.23 N ATOM 0 H ARG B 48 5.432 4.721 5.869 1.00 24.04 H new ATOM 0 HA ARG B 48 5.046 6.257 8.169 1.00 55.34 H new ATOM 0 HB2 ARG B 48 5.104 3.784 8.195 1.00 73.23 H new ATOM 0 HB3 ARG B 48 6.780 3.775 7.686 1.00 73.23 H new ATOM 0 HG2 ARG B 48 7.376 4.951 9.870 1.00 63.33 H new ATOM 0 HG3 ARG B 48 5.710 4.752 10.375 1.00 63.33 H new ATOM 0 HD2 ARG B 48 5.954 2.272 10.234 1.00 51.23 H new ATOM 0 HD3 ARG B 48 7.613 2.458 9.702 1.00 51.23 H new ATOM 0 HE ARG B 48 8.249 3.242 11.890 1.00 62.20 H new ATOM 0 HH11 ARG B 48 4.850 2.348 11.742 1.00 10.43 H new ATOM 0 HH12 ARG B 48 4.718 2.226 13.499 1.00 10.43 H new ATOM 0 HH21 ARG B 48 8.022 3.082 14.076 1.00 3.23 H new ATOM 0 HH22 ARG B 48 6.467 2.632 14.784 1.00 3.23 H new ATOM 2029 N GLU B 49 8.177 6.203 7.057 1.00 33.55 N ATOM 2030 CA GLU B 49 9.539 6.766 7.134 1.00 52.22 C ATOM 2031 C GLU B 49 9.633 8.169 6.470 1.00 11.25 C ATOM 2032 O GLU B 49 10.609 8.893 6.698 1.00 55.55 O ATOM 2033 CB GLU B 49 10.525 5.776 6.455 1.00 23.34 C ATOM 2034 CG GLU B 49 10.430 4.323 6.968 1.00 55.32 C ATOM 2035 CD GLU B 49 11.385 3.355 6.238 1.00 55.25 C ATOM 2036 OE1 GLU B 49 11.135 3.046 5.061 1.00 61.35 O ATOM 2037 OE2 GLU B 49 12.382 2.896 6.844 1.00 41.24 O ATOM 0 H GLU B 49 8.064 5.525 6.304 1.00 33.55 H new ATOM 0 HA GLU B 49 9.800 6.900 8.184 1.00 52.22 H new ATOM 0 HB2 GLU B 49 10.342 5.781 5.380 1.00 23.34 H new ATOM 0 HB3 GLU B 49 11.543 6.135 6.607 1.00 23.34 H new ATOM 0 HG2 GLU B 49 10.652 4.306 8.035 1.00 55.32 H new ATOM 0 HG3 GLU B 49 9.406 3.970 6.850 1.00 55.32 H new ATOM 2044 N ASN B 50 8.602 8.529 5.659 1.00 4.14 N ATOM 2045 CA ASN B 50 8.535 9.800 4.875 1.00 42.31 C ATOM 2046 C ASN B 50 9.647 9.844 3.777 1.00 51.23 C ATOM 2047 O ASN B 50 10.089 10.909 3.330 1.00 35.03 O ATOM 2048 CB ASN B 50 8.574 11.038 5.833 1.00 14.12 C ATOM 2049 CG ASN B 50 8.261 12.383 5.163 1.00 13.45 C ATOM 2050 OD1 ASN B 50 7.509 12.457 4.193 1.00 10.22 O ATOM 2051 ND2 ASN B 50 8.801 13.462 5.698 1.00 71.43 N ATOM 0 H ASN B 50 7.781 7.938 5.527 1.00 4.14 H new ATOM 0 HA ASN B 50 7.583 9.838 4.346 1.00 42.31 H new ATOM 0 HB2 ASN B 50 7.861 10.876 6.641 1.00 14.12 H new ATOM 0 HB3 ASN B 50 9.563 11.096 6.288 1.00 14.12 H new ATOM 0 HD21 ASN B 50 8.597 14.382 5.307 1.00 71.43 H new ATOM 0 HD22 ASN B 50 9.422 13.376 6.503 1.00 71.43 H new ATOM 2058 N LYS B 51 10.069 8.646 3.331 1.00 70.12 N ATOM 2059 CA LYS B 51 11.073 8.484 2.258 1.00 75.35 C ATOM 2060 C LYS B 51 10.436 8.598 0.850 1.00 72.21 C ATOM 2061 O LYS B 51 11.137 8.851 -0.136 1.00 73.21 O ATOM 2062 CB LYS B 51 11.821 7.139 2.425 1.00 50.14 C ATOM 2063 CG LYS B 51 12.671 7.047 3.713 1.00 45.13 C ATOM 2064 CD LYS B 51 13.513 5.754 3.797 1.00 60.42 C ATOM 2065 CE LYS B 51 14.541 5.641 2.655 1.00 20.34 C ATOM 2066 NZ LYS B 51 15.391 4.434 2.783 1.00 34.54 N ATOM 0 H LYS B 51 9.724 7.761 3.704 1.00 70.12 H new ATOM 0 HA LYS B 51 11.793 9.297 2.347 1.00 75.35 H new ATOM 0 HB2 LYS B 51 11.093 6.328 2.424 1.00 50.14 H new ATOM 0 HB3 LYS B 51 12.470 6.986 1.562 1.00 50.14 H new ATOM 0 HG2 LYS B 51 13.336 7.909 3.764 1.00 45.13 H new ATOM 0 HG3 LYS B 51 12.012 7.101 4.580 1.00 45.13 H new ATOM 0 HD2 LYS B 51 14.034 5.726 4.754 1.00 60.42 H new ATOM 0 HD3 LYS B 51 12.849 4.890 3.770 1.00 60.42 H new ATOM 0 HE2 LYS B 51 14.018 5.615 1.699 1.00 20.34 H new ATOM 0 HE3 LYS B 51 15.173 6.529 2.648 1.00 20.34 H new ATOM 0 HZ1 LYS B 51 16.067 4.400 1.993 1.00 34.54 H new ATOM 0 HZ2 LYS B 51 15.911 4.470 3.683 1.00 34.54 H new ATOM 0 HZ3 LYS B 51 14.792 3.584 2.763 1.00 34.54 H new ATOM 2080 N VAL B 52 9.106 8.423 0.767 1.00 51.15 N ATOM 2081 CA VAL B 52 8.340 8.615 -0.485 1.00 3.13 C ATOM 2082 C VAL B 52 7.371 9.803 -0.346 1.00 74.22 C ATOM 2083 O VAL B 52 6.761 10.013 0.713 1.00 60.31 O ATOM 2084 CB VAL B 52 7.547 7.328 -0.936 1.00 1.51 C ATOM 2085 CG1 VAL B 52 8.518 6.195 -1.338 1.00 12.44 C ATOM 2086 CG2 VAL B 52 6.547 6.851 0.150 1.00 31.22 C ATOM 0 H VAL B 52 8.529 8.145 1.561 1.00 51.15 H new ATOM 0 HA VAL B 52 9.075 8.823 -1.263 1.00 3.13 H new ATOM 0 HB VAL B 52 6.959 7.600 -1.813 1.00 1.51 H new ATOM 0 HG11 VAL B 52 7.947 5.319 -1.645 1.00 12.44 H new ATOM 0 HG12 VAL B 52 9.144 6.529 -2.166 1.00 12.44 H new ATOM 0 HG13 VAL B 52 9.149 5.937 -0.487 1.00 12.44 H new ATOM 0 HG21 VAL B 52 6.023 5.963 -0.203 1.00 31.22 H new ATOM 0 HG22 VAL B 52 7.090 6.613 1.065 1.00 31.22 H new ATOM 0 HG23 VAL B 52 5.825 7.642 0.352 1.00 31.22 H new ATOM 2096 N VAL B 53 7.262 10.591 -1.422 1.00 41.13 N ATOM 2097 CA VAL B 53 6.299 11.694 -1.528 1.00 55.34 C ATOM 2098 C VAL B 53 5.143 11.242 -2.433 1.00 21.34 C ATOM 2099 O VAL B 53 5.253 11.248 -3.663 1.00 33.44 O ATOM 2100 CB VAL B 53 6.969 13.000 -2.091 1.00 75.11 C ATOM 2101 CG1 VAL B 53 5.956 14.187 -2.148 1.00 4.11 C ATOM 2102 CG2 VAL B 53 8.240 13.350 -1.267 1.00 72.41 C ATOM 0 H VAL B 53 7.845 10.480 -2.251 1.00 41.13 H new ATOM 0 HA VAL B 53 5.925 11.938 -0.534 1.00 55.34 H new ATOM 0 HB VAL B 53 7.280 12.813 -3.119 1.00 75.11 H new ATOM 0 HG11 VAL B 53 6.455 15.072 -2.542 1.00 4.11 H new ATOM 0 HG12 VAL B 53 5.121 13.922 -2.797 1.00 4.11 H new ATOM 0 HG13 VAL B 53 5.584 14.396 -1.145 1.00 4.11 H new ATOM 0 HG21 VAL B 53 8.695 14.256 -1.667 1.00 72.41 H new ATOM 0 HG22 VAL B 53 7.965 13.511 -0.225 1.00 72.41 H new ATOM 0 HG23 VAL B 53 8.953 12.528 -1.331 1.00 72.41 H new ATOM 2112 N ILE B 54 4.061 10.781 -1.805 1.00 41.10 N ATOM 2113 CA ILE B 54 2.894 10.241 -2.506 1.00 63.54 C ATOM 2114 C ILE B 54 1.987 11.396 -2.975 1.00 54.45 C ATOM 2115 O ILE B 54 1.566 12.246 -2.171 1.00 45.40 O ATOM 2116 CB ILE B 54 2.116 9.235 -1.585 1.00 65.40 C ATOM 2117 CG1 ILE B 54 3.101 8.119 -1.093 1.00 33.30 C ATOM 2118 CG2 ILE B 54 0.884 8.633 -2.310 1.00 24.42 C ATOM 2119 CD1 ILE B 54 2.509 7.086 -0.156 1.00 14.30 C ATOM 0 H ILE B 54 3.968 10.771 -0.789 1.00 41.10 H new ATOM 0 HA ILE B 54 3.226 9.689 -3.386 1.00 63.54 H new ATOM 0 HB ILE B 54 1.730 9.773 -0.719 1.00 65.40 H new ATOM 0 HG12 ILE B 54 3.502 7.604 -1.966 1.00 33.30 H new ATOM 0 HG13 ILE B 54 3.942 8.598 -0.591 1.00 33.30 H new ATOM 0 HG21 ILE B 54 0.371 7.942 -1.642 1.00 24.42 H new ATOM 0 HG22 ILE B 54 0.203 9.434 -2.596 1.00 24.42 H new ATOM 0 HG23 ILE B 54 1.212 8.099 -3.202 1.00 24.42 H new ATOM 0 HD11 ILE B 54 3.277 6.363 0.121 1.00 14.30 H new ATOM 0 HD12 ILE B 54 2.135 7.580 0.741 1.00 14.30 H new ATOM 0 HD13 ILE B 54 1.688 6.570 -0.655 1.00 14.30 H new ATOM 2131 N GLU B 55 1.721 11.434 -4.283 1.00 42.52 N ATOM 2132 CA GLU B 55 1.012 12.546 -4.922 1.00 51.00 C ATOM 2133 C GLU B 55 0.085 12.026 -6.037 1.00 1.43 C ATOM 2134 O GLU B 55 0.513 11.272 -6.918 1.00 11.32 O ATOM 2135 CB GLU B 55 2.048 13.563 -5.469 1.00 33.21 C ATOM 2136 CG GLU B 55 1.491 14.980 -5.699 1.00 30.31 C ATOM 2137 CD GLU B 55 2.587 16.063 -5.747 1.00 1.32 C ATOM 2138 OE1 GLU B 55 3.358 16.164 -4.766 1.00 4.04 O ATOM 2139 OE2 GLU B 55 2.675 16.807 -6.744 1.00 62.10 O ATOM 0 H GLU B 55 1.992 10.693 -4.930 1.00 42.52 H new ATOM 0 HA GLU B 55 0.383 13.051 -4.189 1.00 51.00 H new ATOM 0 HB2 GLU B 55 2.883 13.623 -4.771 1.00 33.21 H new ATOM 0 HB3 GLU B 55 2.447 13.186 -6.411 1.00 33.21 H new ATOM 0 HG2 GLU B 55 0.932 14.996 -6.635 1.00 30.31 H new ATOM 0 HG3 GLU B 55 0.787 15.220 -4.903 1.00 30.31 H new ATOM 2146 N ARG B 56 -1.189 12.430 -5.969 1.00 61.42 N ATOM 2147 CA ARG B 56 -2.215 12.037 -6.944 1.00 35.34 C ATOM 2148 C ARG B 56 -2.155 12.967 -8.183 1.00 71.31 C ATOM 2149 O ARG B 56 -2.569 14.133 -8.123 1.00 30.05 O ATOM 2150 CB ARG B 56 -3.612 12.061 -6.257 1.00 62.41 C ATOM 2151 CG ARG B 56 -4.789 11.605 -7.146 1.00 64.11 C ATOM 2152 CD ARG B 56 -6.128 11.547 -6.374 1.00 33.11 C ATOM 2153 NE ARG B 56 -6.163 10.413 -5.428 1.00 64.05 N ATOM 2154 CZ ARG B 56 -6.591 10.451 -4.179 1.00 12.34 C ATOM 2155 NH1 ARG B 56 -6.999 11.550 -3.622 1.00 31.23 N ATOM 2156 NH2 ARG B 56 -6.596 9.359 -3.488 1.00 62.12 N ATOM 0 H ARG B 56 -1.540 13.042 -5.232 1.00 61.42 H new ATOM 0 HA ARG B 56 -2.031 11.022 -7.296 1.00 35.34 H new ATOM 0 HB2 ARG B 56 -3.576 11.423 -5.374 1.00 62.41 H new ATOM 0 HB3 ARG B 56 -3.811 13.075 -5.910 1.00 62.41 H new ATOM 0 HG2 ARG B 56 -4.889 12.288 -7.989 1.00 64.11 H new ATOM 0 HG3 ARG B 56 -4.568 10.620 -7.558 1.00 64.11 H new ATOM 0 HD2 ARG B 56 -6.275 12.480 -5.830 1.00 33.11 H new ATOM 0 HD3 ARG B 56 -6.953 11.457 -7.081 1.00 33.11 H new ATOM 0 HE ARG B 56 -5.824 9.515 -5.772 1.00 64.05 H new ATOM 0 HH11 ARG B 56 -6.996 12.422 -4.151 1.00 31.23 H new ATOM 0 HH12 ARG B 56 -7.323 11.542 -2.655 1.00 31.23 H new ATOM 0 HH21 ARG B 56 -6.273 8.488 -3.909 1.00 62.12 H new ATOM 0 HH22 ARG B 56 -6.923 9.368 -2.522 1.00 62.12 H new ATOM 2170 N LYS B 57 -1.587 12.448 -9.285 1.00 53.01 N ATOM 2171 CA LYS B 57 -1.426 13.172 -10.565 1.00 52.23 C ATOM 2172 C LYS B 57 -2.431 12.656 -11.631 1.00 41.21 C ATOM 2173 O LYS B 57 -2.434 11.464 -11.956 1.00 71.11 O ATOM 2174 CB LYS B 57 0.031 12.998 -11.085 1.00 2.21 C ATOM 2175 CG LYS B 57 1.126 13.687 -10.240 1.00 20.05 C ATOM 2176 CD LYS B 57 0.937 15.230 -10.139 1.00 41.11 C ATOM 2177 CE LYS B 57 2.265 16.003 -10.246 1.00 3.14 C ATOM 2178 NZ LYS B 57 3.266 15.564 -9.236 1.00 30.10 N ATOM 0 H LYS B 57 -1.219 11.497 -9.315 1.00 53.01 H new ATOM 0 HA LYS B 57 -1.630 14.228 -10.389 1.00 52.23 H new ATOM 0 HB2 LYS B 57 0.254 11.932 -11.138 1.00 2.21 H new ATOM 0 HB3 LYS B 57 0.084 13.386 -12.102 1.00 2.21 H new ATOM 0 HG2 LYS B 57 1.125 13.260 -9.237 1.00 20.05 H new ATOM 0 HG3 LYS B 57 2.102 13.474 -10.677 1.00 20.05 H new ATOM 0 HD2 LYS B 57 0.264 15.561 -10.930 1.00 41.11 H new ATOM 0 HD3 LYS B 57 0.457 15.471 -9.191 1.00 41.11 H new ATOM 0 HE2 LYS B 57 2.680 15.869 -11.245 1.00 3.14 H new ATOM 0 HE3 LYS B 57 2.072 17.069 -10.121 1.00 3.14 H new ATOM 0 HZ1 LYS B 57 4.122 16.149 -9.318 1.00 30.10 H new ATOM 0 HZ2 LYS B 57 2.865 15.668 -8.282 1.00 30.10 H new ATOM 0 HZ3 LYS B 57 3.512 14.567 -9.401 1.00 30.10 H new ATOM 2192 N ASN B 58 -3.262 13.584 -12.173 1.00 5.10 N ATOM 2193 CA ASN B 58 -4.274 13.315 -13.244 1.00 3.24 C ATOM 2194 C ASN B 58 -5.327 12.246 -12.824 1.00 72.42 C ATOM 2195 O ASN B 58 -5.891 11.536 -13.670 1.00 41.11 O ATOM 2196 CB ASN B 58 -3.571 12.902 -14.570 1.00 23.44 C ATOM 2197 CG ASN B 58 -2.562 13.947 -15.062 1.00 73.15 C ATOM 2198 OD1 ASN B 58 -2.903 14.860 -15.811 1.00 64.35 O ATOM 2199 ND2 ASN B 58 -1.316 13.826 -14.643 1.00 24.35 N ATOM 0 H ASN B 58 -3.252 14.560 -11.877 1.00 5.10 H new ATOM 0 HA ASN B 58 -4.818 14.246 -13.404 1.00 3.24 H new ATOM 0 HB2 ASN B 58 -3.059 11.951 -14.423 1.00 23.44 H new ATOM 0 HB3 ASN B 58 -4.325 12.742 -15.340 1.00 23.44 H new ATOM 0 HD21 ASN B 58 -0.610 14.500 -14.941 1.00 24.35 H new ATOM 0 HD22 ASN B 58 -1.059 13.059 -14.022 1.00 24.35 H new ATOM 2206 N GLY B 59 -5.623 12.195 -11.519 1.00 13.42 N ATOM 2207 CA GLY B 59 -6.509 11.168 -10.937 1.00 5.24 C ATOM 2208 C GLY B 59 -5.772 9.883 -10.515 1.00 11.01 C ATOM 2209 O GLY B 59 -6.212 9.185 -9.596 1.00 73.32 O ATOM 0 H GLY B 59 -5.259 12.859 -10.836 1.00 13.42 H new ATOM 0 HA2 GLY B 59 -7.016 11.588 -10.068 1.00 5.24 H new ATOM 0 HA3 GLY B 59 -7.281 10.912 -11.663 1.00 5.24 H new ATOM 2213 N LEU B 60 -4.647 9.576 -11.188 1.00 71.42 N ATOM 2214 CA LEU B 60 -3.786 8.411 -10.867 1.00 21.43 C ATOM 2215 C LEU B 60 -2.852 8.767 -9.688 1.00 61.40 C ATOM 2216 O LEU B 60 -2.705 9.942 -9.348 1.00 25.34 O ATOM 2217 CB LEU B 60 -2.943 7.972 -12.108 1.00 61.01 C ATOM 2218 CG LEU B 60 -3.731 7.392 -13.336 1.00 54.23 C ATOM 2219 CD1 LEU B 60 -4.569 8.469 -14.065 1.00 74.23 C ATOM 2220 CD2 LEU B 60 -2.778 6.669 -14.317 1.00 64.13 C ATOM 0 H LEU B 60 -4.304 10.129 -11.974 1.00 71.42 H new ATOM 0 HA LEU B 60 -4.427 7.575 -10.585 1.00 21.43 H new ATOM 0 HB2 LEU B 60 -2.369 8.834 -12.450 1.00 61.01 H new ATOM 0 HB3 LEU B 60 -2.225 7.220 -11.781 1.00 61.01 H new ATOM 0 HG LEU B 60 -4.436 6.660 -12.941 1.00 54.23 H new ATOM 0 HD11 LEU B 60 -5.093 8.015 -14.906 1.00 74.23 H new ATOM 0 HD12 LEU B 60 -5.295 8.896 -13.373 1.00 74.23 H new ATOM 0 HD13 LEU B 60 -3.910 9.256 -14.431 1.00 74.23 H new ATOM 0 HD21 LEU B 60 -3.350 6.277 -15.158 1.00 64.13 H new ATOM 0 HD22 LEU B 60 -2.030 7.373 -14.683 1.00 64.13 H new ATOM 0 HD23 LEU B 60 -2.281 5.847 -13.802 1.00 64.13 H new ATOM 2232 N ILE B 61 -2.221 7.763 -9.059 1.00 53.24 N ATOM 2233 CA ILE B 61 -1.360 7.988 -7.871 1.00 43.20 C ATOM 2234 C ILE B 61 0.088 7.523 -8.150 1.00 12.31 C ATOM 2235 O ILE B 61 0.303 6.442 -8.714 1.00 22.42 O ATOM 2236 CB ILE B 61 -1.921 7.236 -6.605 1.00 62.52 C ATOM 2237 CG1 ILE B 61 -3.471 7.405 -6.488 1.00 43.14 C ATOM 2238 CG2 ILE B 61 -1.222 7.738 -5.314 1.00 4.45 C ATOM 2239 CD1 ILE B 61 -4.117 6.586 -5.385 1.00 30.23 C ATOM 0 H ILE B 61 -2.286 6.787 -9.347 1.00 53.24 H new ATOM 0 HA ILE B 61 -1.360 9.059 -7.667 1.00 43.20 H new ATOM 0 HB ILE B 61 -1.705 6.174 -6.726 1.00 62.52 H new ATOM 0 HG12 ILE B 61 -3.696 8.458 -6.319 1.00 43.14 H new ATOM 0 HG13 ILE B 61 -3.926 7.130 -7.440 1.00 43.14 H new ATOM 0 HG21 ILE B 61 -1.624 7.206 -4.452 1.00 4.45 H new ATOM 0 HG22 ILE B 61 -0.150 7.555 -5.386 1.00 4.45 H new ATOM 0 HG23 ILE B 61 -1.400 8.807 -5.196 1.00 4.45 H new ATOM 0 HD11 ILE B 61 -5.192 6.767 -5.379 1.00 30.23 H new ATOM 0 HD12 ILE B 61 -3.928 5.527 -5.560 1.00 30.23 H new ATOM 0 HD13 ILE B 61 -3.695 6.875 -4.422 1.00 30.23 H new ATOM 2251 N GLU B 62 1.067 8.344 -7.730 1.00 73.10 N ATOM 2252 CA GLU B 62 2.515 8.070 -7.901 1.00 42.53 C ATOM 2253 C GLU B 62 3.286 8.357 -6.596 1.00 0.33 C ATOM 2254 O GLU B 62 2.748 8.945 -5.649 1.00 50.00 O ATOM 2255 CB GLU B 62 3.116 8.935 -9.045 1.00 25.25 C ATOM 2256 CG GLU B 62 2.522 8.680 -10.440 1.00 64.11 C ATOM 2257 CD GLU B 62 3.167 9.568 -11.511 1.00 65.22 C ATOM 2258 OE1 GLU B 62 2.954 10.798 -11.476 1.00 42.54 O ATOM 2259 OE2 GLU B 62 3.907 9.050 -12.375 1.00 43.24 O ATOM 0 H GLU B 62 0.879 9.228 -7.256 1.00 73.10 H new ATOM 0 HA GLU B 62 2.617 7.016 -8.158 1.00 42.53 H new ATOM 0 HB2 GLU B 62 2.977 9.987 -8.795 1.00 25.25 H new ATOM 0 HB3 GLU B 62 4.191 8.757 -9.087 1.00 25.25 H new ATOM 0 HG2 GLU B 62 2.660 7.632 -10.707 1.00 64.11 H new ATOM 0 HG3 GLU B 62 1.448 8.864 -10.416 1.00 64.11 H new ATOM 2266 N ILE B 63 4.554 7.913 -6.561 1.00 62.53 N ATOM 2267 CA ILE B 63 5.518 8.228 -5.486 1.00 11.52 C ATOM 2268 C ILE B 63 6.757 8.955 -6.070 1.00 5.32 C ATOM 2269 O ILE B 63 7.148 8.748 -7.229 1.00 22.24 O ATOM 2270 CB ILE B 63 5.968 6.953 -4.658 1.00 52.41 C ATOM 2271 CG1 ILE B 63 6.800 5.923 -5.501 1.00 61.13 C ATOM 2272 CG2 ILE B 63 4.748 6.267 -4.008 1.00 13.21 C ATOM 2273 CD1 ILE B 63 6.038 5.164 -6.576 1.00 61.32 C ATOM 0 H ILE B 63 4.947 7.316 -7.289 1.00 62.53 H new ATOM 0 HA ILE B 63 5.001 8.886 -4.788 1.00 11.52 H new ATOM 0 HB ILE B 63 6.635 7.316 -3.876 1.00 52.41 H new ATOM 0 HG12 ILE B 63 7.624 6.455 -5.976 1.00 61.13 H new ATOM 0 HG13 ILE B 63 7.241 5.198 -4.817 1.00 61.13 H new ATOM 0 HG21 ILE B 63 5.079 5.394 -3.445 1.00 13.21 H new ATOM 0 HG22 ILE B 63 4.253 6.967 -3.335 1.00 13.21 H new ATOM 0 HG23 ILE B 63 4.050 5.954 -4.785 1.00 13.21 H new ATOM 0 HD11 ILE B 63 6.716 4.483 -7.091 1.00 61.32 H new ATOM 0 HD12 ILE B 63 5.231 4.593 -6.116 1.00 61.32 H new ATOM 0 HD13 ILE B 63 5.620 5.870 -7.293 1.00 61.32 H new ATOM 2285 N TYR B 64 7.326 9.849 -5.254 1.00 44.32 N ATOM 2286 CA TYR B 64 8.535 10.634 -5.585 1.00 2.02 C ATOM 2287 C TYR B 64 9.617 10.434 -4.507 1.00 0.11 C ATOM 2288 O TYR B 64 9.352 9.843 -3.452 1.00 24.12 O ATOM 2289 CB TYR B 64 8.159 12.137 -5.734 1.00 73.41 C ATOM 2290 CG TYR B 64 7.124 12.400 -6.847 1.00 74.30 C ATOM 2291 CD1 TYR B 64 7.514 12.460 -8.182 1.00 11.12 C ATOM 2292 CD2 TYR B 64 5.759 12.564 -6.567 1.00 33.23 C ATOM 2293 CE1 TYR B 64 6.596 12.656 -9.193 1.00 44.44 C ATOM 2294 CE2 TYR B 64 4.842 12.766 -7.580 1.00 15.02 C ATOM 2295 CZ TYR B 64 5.265 12.811 -8.888 1.00 53.14 C ATOM 2296 OH TYR B 64 4.349 13.001 -9.901 1.00 1.53 O ATOM 0 H TYR B 64 6.957 10.056 -4.326 1.00 44.32 H new ATOM 0 HA TYR B 64 8.943 10.285 -6.533 1.00 2.02 H new ATOM 0 HB2 TYR B 64 7.763 12.501 -4.786 1.00 73.41 H new ATOM 0 HB3 TYR B 64 9.062 12.711 -5.944 1.00 73.41 H new ATOM 0 HD1 TYR B 64 8.559 12.351 -8.432 1.00 11.12 H new ATOM 0 HD2 TYR B 64 5.420 12.532 -5.542 1.00 33.23 H new ATOM 0 HE1 TYR B 64 6.923 12.688 -10.222 1.00 44.44 H new ATOM 0 HE2 TYR B 64 3.795 12.888 -7.345 1.00 15.02 H new ATOM 0 HH TYR B 64 4.053 12.131 -10.242 1.00 1.53 H new ATOM 2306 N ASN B 65 10.841 10.913 -4.789 1.00 50.34 N ATOM 2307 CA ASN B 65 11.980 10.800 -3.848 1.00 4.51 C ATOM 2308 C ASN B 65 11.820 11.744 -2.636 1.00 53.03 C ATOM 2309 O ASN B 65 11.197 12.818 -2.736 1.00 13.11 O ATOM 2310 CB ASN B 65 13.325 11.089 -4.581 1.00 0.44 C ATOM 2311 CG ASN B 65 13.729 9.999 -5.575 1.00 64.04 C ATOM 2312 OD1 ASN B 65 12.890 9.333 -6.144 1.00 22.02 O ATOM 2313 ND2 ASN B 65 15.019 9.801 -5.782 1.00 40.24 N ATOM 0 H ASN B 65 11.072 11.385 -5.663 1.00 50.34 H new ATOM 0 HA ASN B 65 11.991 9.777 -3.472 1.00 4.51 H new ATOM 0 HB2 ASN B 65 13.244 12.039 -5.110 1.00 0.44 H new ATOM 0 HB3 ASN B 65 14.116 11.204 -3.839 1.00 0.44 H new ATOM 0 HD21 ASN B 65 15.326 9.076 -6.431 1.00 40.24 H new ATOM 0 HD22 ASN B 65 15.708 10.373 -5.293 1.00 40.24 H new ATOM 2320 N GLU B 66 12.364 11.297 -1.487 1.00 4.52 N ATOM 2321 CA GLU B 66 12.497 12.106 -0.260 1.00 3.42 C ATOM 2322 C GLU B 66 13.161 13.477 -0.548 1.00 35.23 C ATOM 2323 O GLU B 66 14.370 13.563 -0.790 1.00 53.53 O ATOM 2324 CB GLU B 66 13.318 11.303 0.779 1.00 3.35 C ATOM 2325 CG GLU B 66 13.470 11.981 2.148 1.00 11.50 C ATOM 2326 CD GLU B 66 14.167 11.080 3.175 1.00 4.20 C ATOM 2327 OE1 GLU B 66 15.416 10.998 3.169 1.00 64.15 O ATOM 2328 OE2 GLU B 66 13.474 10.442 3.993 1.00 35.04 O ATOM 0 H GLU B 66 12.729 10.350 -1.384 1.00 4.52 H new ATOM 0 HA GLU B 66 11.503 12.315 0.136 1.00 3.42 H new ATOM 0 HB2 GLU B 66 12.845 10.332 0.922 1.00 3.35 H new ATOM 0 HB3 GLU B 66 14.311 11.117 0.370 1.00 3.35 H new ATOM 0 HG2 GLU B 66 14.040 12.903 2.032 1.00 11.50 H new ATOM 0 HG3 GLU B 66 12.485 12.260 2.523 1.00 11.50 H new