USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 770 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 27 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Set 2.1: B 8 GLN : amide:sc= -0.38 K(o=-0.37,f=-2.6) USER MOD Set 2.2: B 10 SER OG : rot 180:sc= 0.00872 USER MOD Set 3.1: A 34 HIS : no HD1:sc= -0.329 X(o=-2.9,f=-3.1) USER MOD Set 3.2: A 39 MET CE :methyl 169:sc= -1.59 (180deg=-1.9!) USER MOD Set 3.3: B 34 HIS : no HD1:sc= -0.0835 X(o=-2.9,f=-3.3) USER MOD Set 3.4: B 39 MET CE :methyl 178:sc= -0.878 (180deg=-0.842) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 158:sc= 0.00688 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.00291 X(o=-0.0029,f=-0.011) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -160:sc= 0 (180deg=-0.359) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00405 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.85) USER MOD Single : A 36 ASN : amide:sc= -0.318 K(o=-0.32,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0895 K(o=-0.09,f=-1.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -108:sc= 0.0392 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.673 USER MOD Single : B 6 SER OG : rot -62:sc= 1.31 USER MOD Single : B 11 SER OG : rot 92:sc= 0.142 USER MOD Single : B 17 MET CE :methyl -170:sc= -0.079 (180deg=-0.116) USER MOD Single : B 18 SER OG : rot 180:sc= 0.0194 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 156:sc= 1.68 (180deg=1.14) USER MOD Single : B 35 ASN : amide:sc= -0.302 K(o=-0.3,f=-0.85) USER MOD Single : B 36 ASN : amide:sc= -0.898 K(o=-0.9,f=-8.5!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.0644 K(o=-0.064,f=-1) USER MOD Single : B 48 SER OG : rot 120:sc= 0.366 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.796 4.556 -15.831 1.00 0.00 N ATOM 2 CA GLY A 1 -12.486 5.677 -15.191 1.00 0.00 C ATOM 3 C GLY A 1 -13.590 5.138 -14.303 1.00 0.00 C ATOM 4 O GLY A 1 -14.435 4.370 -14.769 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.037 4.919 -16.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.387 3.938 -15.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.473 4.014 -16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.782 6.265 -14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.903 6.343 -15.947 1.00 0.00 H new ATOM 8 N SER A 2 -13.574 5.498 -13.020 1.00 0.00 N ATOM 9 CA SER A 2 -14.542 5.062 -12.022 1.00 0.00 C ATOM 10 C SER A 2 -15.954 5.512 -12.392 1.00 0.00 C ATOM 11 O SER A 2 -16.130 6.490 -13.130 1.00 0.00 O ATOM 12 CB SER A 2 -14.102 5.593 -10.654 1.00 0.00 C ATOM 13 OG SER A 2 -12.784 5.144 -10.381 1.00 0.00 O ATOM 0 H SER A 2 -12.863 6.121 -12.637 1.00 0.00 H new ATOM 0 HA SER A 2 -14.573 3.973 -11.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.137 6.682 -10.645 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.785 5.246 -9.879 1.00 0.00 H new ATOM 0 HG SER A 2 -12.368 5.733 -9.717 1.00 0.00 H new ATOM 19 N SER A 3 -16.958 4.807 -11.879 1.00 0.00 N ATOM 20 CA SER A 3 -18.365 5.076 -12.126 1.00 0.00 C ATOM 21 C SER A 3 -19.173 4.841 -10.850 1.00 0.00 C ATOM 22 O SER A 3 -18.714 4.149 -9.938 1.00 0.00 O ATOM 23 CB SER A 3 -18.849 4.211 -13.305 1.00 0.00 C ATOM 24 OG SER A 3 -18.184 2.963 -13.435 1.00 0.00 O ATOM 0 H SER A 3 -16.807 4.009 -11.262 1.00 0.00 H new ATOM 0 HA SER A 3 -18.510 6.120 -12.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.917 4.028 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.720 4.775 -14.229 1.00 0.00 H new ATOM 0 HG SER A 3 -18.549 2.476 -14.203 1.00 0.00 H new ATOM 30 N GLY A 4 -20.395 5.371 -10.817 1.00 0.00 N ATOM 31 CA GLY A 4 -21.332 5.282 -9.705 1.00 0.00 C ATOM 32 C GLY A 4 -21.497 6.650 -9.042 1.00 0.00 C ATOM 33 O GLY A 4 -20.801 7.611 -9.395 1.00 0.00 O ATOM 0 H GLY A 4 -20.774 5.898 -11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.298 4.924 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.973 4.557 -8.975 1.00 0.00 H new ATOM 37 N SER A 5 -22.435 6.747 -8.102 1.00 0.00 N ATOM 38 CA SER A 5 -22.710 7.969 -7.363 1.00 0.00 C ATOM 39 C SER A 5 -21.538 8.309 -6.441 1.00 0.00 C ATOM 40 O SER A 5 -20.745 7.440 -6.068 1.00 0.00 O ATOM 41 CB SER A 5 -24.010 7.799 -6.576 1.00 0.00 C ATOM 42 OG SER A 5 -25.089 7.804 -7.493 1.00 0.00 O ATOM 0 H SER A 5 -23.032 5.965 -7.831 1.00 0.00 H new ATOM 0 HA SER A 5 -22.830 8.800 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.994 6.865 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.124 8.606 -5.852 1.00 0.00 H new ATOM 0 HG SER A 5 -25.932 7.694 -7.006 1.00 0.00 H new ATOM 48 N SER A 6 -21.436 9.587 -6.082 1.00 0.00 N ATOM 49 CA SER A 6 -20.400 10.133 -5.219 1.00 0.00 C ATOM 50 C SER A 6 -21.036 10.608 -3.906 1.00 0.00 C ATOM 51 O SER A 6 -22.264 10.632 -3.775 1.00 0.00 O ATOM 52 CB SER A 6 -19.706 11.263 -5.992 1.00 0.00 C ATOM 53 OG SER A 6 -19.220 10.791 -7.245 1.00 0.00 O ATOM 0 H SER A 6 -22.099 10.294 -6.398 1.00 0.00 H new ATOM 0 HA SER A 6 -19.651 9.388 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.406 12.083 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.880 11.660 -5.402 1.00 0.00 H new ATOM 0 HG SER A 6 -18.782 11.526 -7.724 1.00 0.00 H new ATOM 59 N GLY A 7 -20.224 11.001 -2.927 1.00 0.00 N ATOM 60 CA GLY A 7 -20.702 11.467 -1.632 1.00 0.00 C ATOM 61 C GLY A 7 -19.554 11.389 -0.643 1.00 0.00 C ATOM 62 O GLY A 7 -18.590 12.145 -0.789 1.00 0.00 O ATOM 0 H GLY A 7 -19.208 11.004 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.068 12.491 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.537 10.854 -1.293 1.00 0.00 H new ATOM 66 N GLN A 8 -19.654 10.514 0.358 1.00 0.00 N ATOM 67 CA GLN A 8 -18.622 10.317 1.369 1.00 0.00 C ATOM 68 C GLN A 8 -17.848 9.053 1.032 1.00 0.00 C ATOM 69 O GLN A 8 -18.409 8.081 0.516 1.00 0.00 O ATOM 70 CB GLN A 8 -19.242 10.214 2.773 1.00 0.00 C ATOM 71 CG GLN A 8 -19.106 11.535 3.533 1.00 0.00 C ATOM 72 CD GLN A 8 -19.831 12.671 2.828 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.217 13.438 2.090 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.136 12.774 2.998 1.00 0.00 N ATOM 0 H GLN A 8 -20.468 9.914 0.489 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.947 11.173 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.295 9.945 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.753 9.417 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.507 11.418 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -18.051 11.787 3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.623 12.125 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -21.658 13.503 2.511 1.00 0.00 H new ATOM 83 N LEU A 9 -16.562 9.035 1.385 1.00 0.00 N ATOM 84 CA LEU A 9 -15.709 7.889 1.108 1.00 0.00 C ATOM 85 C LEU A 9 -16.063 6.679 1.976 1.00 0.00 C ATOM 86 O LEU A 9 -15.707 5.560 1.600 1.00 0.00 O ATOM 87 CB LEU A 9 -14.221 8.273 1.152 1.00 0.00 C ATOM 88 CG LEU A 9 -13.708 8.753 -0.220 1.00 0.00 C ATOM 89 CD1 LEU A 9 -14.441 9.989 -0.761 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.209 9.039 -0.130 1.00 0.00 C ATOM 0 H LEU A 9 -16.092 9.804 1.863 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.905 7.568 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.071 9.060 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.634 7.414 1.478 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.910 7.947 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.023 10.265 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.501 9.763 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.320 10.818 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.845 9.379 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.030 9.813 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.682 8.129 0.158 1.00 0.00 H new ATOM 102 N SER A 10 -16.782 6.839 3.096 1.00 0.00 N ATOM 103 CA SER A 10 -17.159 5.687 3.918 1.00 0.00 C ATOM 104 C SER A 10 -18.110 4.779 3.124 1.00 0.00 C ATOM 105 O SER A 10 -18.078 3.563 3.302 1.00 0.00 O ATOM 106 CB SER A 10 -17.779 6.117 5.252 1.00 0.00 C ATOM 107 OG SER A 10 -16.887 6.937 5.987 1.00 0.00 O ATOM 0 H SER A 10 -17.108 7.740 3.447 1.00 0.00 H new ATOM 0 HA SER A 10 -16.257 5.127 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.707 6.658 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.035 5.235 5.839 1.00 0.00 H new ATOM 0 HG SER A 10 -17.306 7.200 6.833 1.00 0.00 H new ATOM 113 N SER A 11 -18.914 5.332 2.207 1.00 0.00 N ATOM 114 CA SER A 11 -19.829 4.551 1.383 1.00 0.00 C ATOM 115 C SER A 11 -19.047 3.671 0.394 1.00 0.00 C ATOM 116 O SER A 11 -19.584 2.693 -0.126 1.00 0.00 O ATOM 117 CB SER A 11 -20.790 5.502 0.662 1.00 0.00 C ATOM 118 OG SER A 11 -21.541 6.244 1.616 1.00 0.00 O ATOM 0 H SER A 11 -18.944 6.334 2.020 1.00 0.00 H new ATOM 0 HA SER A 11 -20.413 3.880 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.230 6.181 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.462 4.935 0.018 1.00 0.00 H new ATOM 0 HG SER A 11 -22.153 6.852 1.150 1.00 0.00 H new ATOM 124 N GLU A 12 -17.780 3.991 0.115 1.00 0.00 N ATOM 125 CA GLU A 12 -16.942 3.214 -0.791 1.00 0.00 C ATOM 126 C GLU A 12 -16.434 1.972 -0.052 1.00 0.00 C ATOM 127 O GLU A 12 -16.157 0.958 -0.687 1.00 0.00 O ATOM 128 CB GLU A 12 -15.768 4.050 -1.317 1.00 0.00 C ATOM 129 CG GLU A 12 -16.183 5.424 -1.865 1.00 0.00 C ATOM 130 CD GLU A 12 -17.214 5.377 -2.991 1.00 0.00 C ATOM 131 OE1 GLU A 12 -17.192 4.428 -3.807 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.977 6.364 -3.101 1.00 0.00 O ATOM 0 H GLU A 12 -17.308 4.802 0.516 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.535 2.911 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.046 4.193 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.261 3.493 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.586 6.020 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.293 5.940 -2.227 1.00 0.00 H new ATOM 139 N ILE A 13 -16.318 2.023 1.285 1.00 0.00 N ATOM 140 CA ILE A 13 -15.876 0.883 2.090 1.00 0.00 C ATOM 141 C ILE A 13 -16.913 -0.216 1.856 1.00 0.00 C ATOM 142 O ILE A 13 -16.568 -1.365 1.586 1.00 0.00 O ATOM 143 CB ILE A 13 -15.778 1.247 3.597 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.744 2.367 3.850 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.472 0.005 4.458 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.814 2.975 5.260 1.00 0.00 C ATOM 0 H ILE A 13 -16.529 2.857 1.833 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.876 0.562 1.799 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.754 1.629 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.743 1.967 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.894 3.159 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.410 0.296 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.267 -0.730 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.522 -0.430 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.057 3.753 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.802 3.407 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.633 2.197 6.001 1.00 0.00 H new ATOM 158 N GLU A 14 -18.193 0.160 1.919 1.00 0.00 N ATOM 159 CA GLU A 14 -19.309 -0.748 1.719 1.00 0.00 C ATOM 160 C GLU A 14 -19.258 -1.388 0.324 1.00 0.00 C ATOM 161 O GLU A 14 -19.753 -2.505 0.156 1.00 0.00 O ATOM 162 CB GLU A 14 -20.647 -0.028 1.960 1.00 0.00 C ATOM 163 CG GLU A 14 -20.677 0.796 3.257 1.00 0.00 C ATOM 164 CD GLU A 14 -22.096 1.244 3.622 1.00 0.00 C ATOM 165 OE1 GLU A 14 -22.531 2.326 3.160 1.00 0.00 O ATOM 166 OE2 GLU A 14 -22.779 0.519 4.383 1.00 0.00 O ATOM 0 H GLU A 14 -18.480 1.119 2.114 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.228 -1.553 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.853 0.631 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.448 -0.767 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.263 0.203 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.038 1.672 3.144 1.00 0.00 H new ATOM 173 N ARG A 15 -18.678 -0.714 -0.681 1.00 0.00 N ATOM 174 CA ARG A 15 -18.568 -1.255 -2.037 1.00 0.00 C ATOM 175 C ARG A 15 -17.338 -2.139 -2.169 1.00 0.00 C ATOM 176 O ARG A 15 -17.400 -3.141 -2.883 1.00 0.00 O ATOM 177 CB ARG A 15 -18.588 -0.146 -3.105 1.00 0.00 C ATOM 178 CG ARG A 15 -20.024 0.363 -3.274 1.00 0.00 C ATOM 179 CD ARG A 15 -20.247 1.227 -4.517 1.00 0.00 C ATOM 180 NE ARG A 15 -21.692 1.398 -4.706 1.00 0.00 N ATOM 181 CZ ARG A 15 -22.385 1.336 -5.844 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.815 1.486 -7.031 1.00 0.00 N ATOM 183 NH2 ARG A 15 -23.688 1.109 -5.801 1.00 0.00 N ATOM 0 H ARG A 15 -18.275 0.217 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.447 -1.875 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.932 0.672 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.211 -0.530 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.697 -0.493 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.298 0.941 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.762 2.196 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.803 0.754 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.234 1.588 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.811 1.656 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.380 1.432 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -24.154 0.983 -4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -24.226 1.060 -6.666 1.00 0.00 H new ATOM 197 N LEU A 16 -16.241 -1.811 -1.482 1.00 0.00 N ATOM 198 CA LEU A 16 -15.020 -2.606 -1.527 1.00 0.00 C ATOM 199 C LEU A 16 -15.236 -3.939 -0.829 1.00 0.00 C ATOM 200 O LEU A 16 -14.669 -4.940 -1.273 1.00 0.00 O ATOM 201 CB LEU A 16 -13.834 -1.848 -0.906 1.00 0.00 C ATOM 202 CG LEU A 16 -13.192 -0.874 -1.906 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.258 0.085 -1.166 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.395 -1.626 -2.983 1.00 0.00 C ATOM 0 H LEU A 16 -16.178 -0.989 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.776 -2.795 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.174 -1.297 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.086 -2.562 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.992 -0.316 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.805 0.774 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.827 0.649 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.476 -0.484 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.953 -0.909 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.604 -2.209 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.061 -2.294 -3.529 1.00 0.00 H new ATOM 216 N MET A 17 -16.073 -3.969 0.218 1.00 0.00 N ATOM 217 CA MET A 17 -16.380 -5.195 0.943 1.00 0.00 C ATOM 218 C MET A 17 -16.850 -6.252 -0.056 1.00 0.00 C ATOM 219 O MET A 17 -16.356 -7.376 -0.014 1.00 0.00 O ATOM 220 CB MET A 17 -17.491 -4.961 1.974 1.00 0.00 C ATOM 221 CG MET A 17 -17.044 -4.293 3.274 1.00 0.00 C ATOM 222 SD MET A 17 -18.430 -4.174 4.439 1.00 0.00 S ATOM 223 CE MET A 17 -17.701 -3.202 5.776 1.00 0.00 C ATOM 0 H MET A 17 -16.551 -3.144 0.579 1.00 0.00 H new ATOM 0 HA MET A 17 -15.483 -5.525 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.266 -4.346 1.516 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.948 -5.921 2.216 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.232 -4.865 3.723 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.653 -3.298 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.281 -3.345 6.688 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.674 -3.527 5.944 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.707 -2.147 5.504 1.00 0.00 H new ATOM 233 N SER A 18 -17.730 -5.869 -0.989 1.00 0.00 N ATOM 234 CA SER A 18 -18.326 -6.696 -2.034 1.00 0.00 C ATOM 235 C SER A 18 -17.333 -7.336 -3.019 1.00 0.00 C ATOM 236 O SER A 18 -17.774 -7.963 -3.989 1.00 0.00 O ATOM 237 CB SER A 18 -19.322 -5.845 -2.826 1.00 0.00 C ATOM 238 OG SER A 18 -20.014 -4.897 -2.022 1.00 0.00 O ATOM 0 H SER A 18 -18.064 -4.906 -1.033 1.00 0.00 H new ATOM 0 HA SER A 18 -18.801 -7.528 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.790 -5.319 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 18 -20.047 -6.501 -3.308 1.00 0.00 H new ATOM 0 HG SER A 18 -20.633 -4.383 -2.582 1.00 0.00 H new ATOM 244 N GLN A 19 -16.023 -7.126 -2.856 1.00 0.00 N ATOM 245 CA GLN A 19 -14.979 -7.694 -3.707 1.00 0.00 C ATOM 246 C GLN A 19 -14.142 -8.726 -2.934 1.00 0.00 C ATOM 247 O GLN A 19 -13.323 -9.423 -3.533 1.00 0.00 O ATOM 248 CB GLN A 19 -14.111 -6.576 -4.303 1.00 0.00 C ATOM 249 CG GLN A 19 -14.958 -5.531 -5.044 1.00 0.00 C ATOM 250 CD GLN A 19 -14.129 -4.676 -5.994 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.155 -3.952 -5.482 1.00 0.00 O flip ATOM 252 NE2 GLN A 19 -14.381 -4.635 -7.196 1.00 0.00 N flip ATOM 0 H GLN A 19 -15.652 -6.540 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.449 -8.223 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.548 -6.089 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.383 -7.008 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.743 -6.037 -5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.452 -4.886 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.138 -5.201 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.833 -4.035 -7.812 1.00 0.00 H new ATOM 261 N GLY A 20 -14.351 -8.851 -1.619 1.00 0.00 N ATOM 262 CA GLY A 20 -13.657 -9.780 -0.735 1.00 0.00 C ATOM 263 C GLY A 20 -12.685 -9.108 0.226 1.00 0.00 C ATOM 264 O GLY A 20 -12.087 -9.799 1.048 1.00 0.00 O ATOM 0 H GLY A 20 -15.038 -8.281 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.395 -10.338 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.112 -10.504 -1.341 1.00 0.00 H new ATOM 268 N TYR A 21 -12.487 -7.793 0.129 1.00 0.00 N ATOM 269 CA TYR A 21 -11.583 -7.083 1.018 1.00 0.00 C ATOM 270 C TYR A 21 -12.277 -6.907 2.365 1.00 0.00 C ATOM 271 O TYR A 21 -13.333 -6.278 2.444 1.00 0.00 O ATOM 272 CB TYR A 21 -11.195 -5.729 0.419 1.00 0.00 C ATOM 273 CG TYR A 21 -10.621 -5.799 -0.984 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.483 -6.585 -1.260 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.219 -5.044 -2.010 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.933 -6.600 -2.555 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.662 -5.044 -3.298 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.520 -5.820 -3.574 1.00 0.00 C ATOM 279 OH TYR A 21 -8.969 -5.772 -4.814 1.00 0.00 O ATOM 0 H TYR A 21 -12.946 -7.200 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.664 -7.654 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.076 -5.087 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.464 -5.253 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.033 -7.176 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.107 -4.464 -1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.065 -7.206 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.110 -4.448 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.506 -5.187 -5.388 1.00 0.00 H new ATOM 289 N SER A 22 -11.711 -7.477 3.425 1.00 0.00 N ATOM 290 CA SER A 22 -12.284 -7.361 4.757 1.00 0.00 C ATOM 291 C SER A 22 -12.198 -5.897 5.210 1.00 0.00 C ATOM 292 O SER A 22 -11.301 -5.160 4.792 1.00 0.00 O ATOM 293 CB SER A 22 -11.540 -8.298 5.717 1.00 0.00 C ATOM 294 OG SER A 22 -11.363 -9.581 5.138 1.00 0.00 O ATOM 0 H SER A 22 -10.852 -8.026 3.384 1.00 0.00 H new ATOM 0 HA SER A 22 -13.333 -7.656 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.569 -7.871 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.099 -8.389 6.648 1.00 0.00 H new ATOM 0 HG SER A 22 -10.885 -10.161 5.767 1.00 0.00 H new ATOM 300 N TYR A 23 -13.070 -5.487 6.135 1.00 0.00 N ATOM 301 CA TYR A 23 -13.117 -4.123 6.659 1.00 0.00 C ATOM 302 C TYR A 23 -11.743 -3.630 7.121 1.00 0.00 C ATOM 303 O TYR A 23 -11.376 -2.493 6.818 1.00 0.00 O ATOM 304 CB TYR A 23 -14.122 -4.046 7.813 1.00 0.00 C ATOM 305 CG TYR A 23 -14.263 -2.659 8.407 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.973 -1.665 7.709 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.671 -2.354 9.648 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.087 -0.370 8.241 1.00 0.00 C ATOM 309 CE2 TYR A 23 -13.781 -1.060 10.185 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.480 -0.058 9.476 1.00 0.00 C ATOM 311 OH TYR A 23 -14.550 1.213 9.954 1.00 0.00 O ATOM 0 H TYR A 23 -13.772 -6.103 6.545 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.436 -3.469 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.097 -4.380 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.815 -4.738 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.432 -1.899 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.131 -3.117 10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.639 0.387 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.331 -0.832 11.140 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.084 1.265 10.815 1.00 0.00 H new ATOM 321 N GLN A 24 -10.993 -4.478 7.837 1.00 0.00 N ATOM 322 CA GLN A 24 -9.667 -4.138 8.340 1.00 0.00 C ATOM 323 C GLN A 24 -8.721 -3.802 7.191 1.00 0.00 C ATOM 324 O GLN A 24 -7.997 -2.819 7.278 1.00 0.00 O ATOM 325 CB GLN A 24 -9.063 -5.283 9.168 1.00 0.00 C ATOM 326 CG GLN A 24 -9.831 -5.587 10.460 1.00 0.00 C ATOM 327 CD GLN A 24 -8.968 -6.396 11.428 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.520 -5.881 12.452 1.00 0.00 O ATOM 329 NE2 GLN A 24 -8.685 -7.651 11.119 1.00 0.00 N ATOM 0 H GLN A 24 -11.295 -5.421 8.081 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.786 -3.266 8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.031 -6.184 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.033 -5.032 9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.139 -4.655 10.933 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.740 -6.141 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.064 -8.064 10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.088 -8.205 11.733 1.00 0.00 H new ATOM 338 N ASP A 25 -8.715 -4.602 6.124 1.00 0.00 N ATOM 339 CA ASP A 25 -7.847 -4.387 4.966 1.00 0.00 C ATOM 340 C ASP A 25 -8.180 -3.046 4.332 1.00 0.00 C ATOM 341 O ASP A 25 -7.287 -2.248 4.047 1.00 0.00 O ATOM 342 CB ASP A 25 -7.992 -5.526 3.946 1.00 0.00 C ATOM 343 CG ASP A 25 -7.523 -6.840 4.550 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.329 -6.932 4.898 1.00 0.00 O ATOM 345 OD2 ASP A 25 -8.361 -7.735 4.802 1.00 0.00 O ATOM 0 H ASP A 25 -9.316 -5.422 6.039 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.809 -4.380 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.033 -5.613 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.409 -5.300 3.053 1.00 0.00 H new ATOM 350 N ILE A 26 -9.472 -2.769 4.138 1.00 0.00 N ATOM 351 CA ILE A 26 -9.924 -1.517 3.548 1.00 0.00 C ATOM 352 C ILE A 26 -9.422 -0.350 4.416 1.00 0.00 C ATOM 353 O ILE A 26 -8.876 0.612 3.868 1.00 0.00 O ATOM 354 CB ILE A 26 -11.454 -1.534 3.329 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.921 -2.696 2.421 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.911 -0.206 2.700 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.427 -2.961 2.539 1.00 0.00 C ATOM 0 H ILE A 26 -10.228 -3.407 4.386 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.500 -1.382 2.553 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.904 -1.675 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.676 -2.465 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.374 -3.601 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.990 -0.227 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.653 0.619 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.413 -0.068 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.704 -3.786 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.671 -3.220 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.978 -2.066 2.250 1.00 0.00 H new ATOM 369 N GLN A 27 -9.578 -0.443 5.743 1.00 0.00 N ATOM 370 CA GLN A 27 -9.143 0.568 6.703 1.00 0.00 C ATOM 371 C GLN A 27 -7.632 0.784 6.607 1.00 0.00 C ATOM 372 O GLN A 27 -7.186 1.921 6.459 1.00 0.00 O ATOM 373 CB GLN A 27 -9.539 0.158 8.140 1.00 0.00 C ATOM 374 CG GLN A 27 -11.020 0.383 8.467 1.00 0.00 C ATOM 375 CD GLN A 27 -11.375 1.866 8.495 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.118 2.531 9.496 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.918 2.414 7.425 1.00 0.00 N ATOM 0 H GLN A 27 -10.023 -1.247 6.186 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.642 1.507 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.302 -0.896 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.931 0.722 8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.637 -0.124 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.251 -0.064 9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.122 1.841 6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.134 3.411 7.416 1.00 0.00 H new ATOM 386 N LYS A 28 -6.843 -0.294 6.666 1.00 0.00 N ATOM 387 CA LYS A 28 -5.384 -0.247 6.591 1.00 0.00 C ATOM 388 C LYS A 28 -4.964 0.447 5.300 1.00 0.00 C ATOM 389 O LYS A 28 -4.103 1.321 5.336 1.00 0.00 O ATOM 390 CB LYS A 28 -4.802 -1.668 6.723 1.00 0.00 C ATOM 391 CG LYS A 28 -4.978 -2.200 8.160 1.00 0.00 C ATOM 392 CD LYS A 28 -4.976 -3.731 8.277 1.00 0.00 C ATOM 393 CE LYS A 28 -3.565 -4.327 8.366 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.594 -5.678 8.970 1.00 0.00 N ATOM 0 H LYS A 28 -7.210 -1.240 6.769 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.981 0.335 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.299 -2.336 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.744 -1.658 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.178 -1.800 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.916 -1.819 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.543 -4.022 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.489 -4.156 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.126 -4.380 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.928 -3.673 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.627 -6.058 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.992 -5.621 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.184 -6.306 8.388 1.00 0.00 H new ATOM 408 N ALA A 29 -5.562 0.101 4.159 1.00 0.00 N ATOM 409 CA ALA A 29 -5.202 0.745 2.905 1.00 0.00 C ATOM 410 C ALA A 29 -5.558 2.239 2.947 1.00 0.00 C ATOM 411 O ALA A 29 -4.767 3.056 2.482 1.00 0.00 O ATOM 412 CB ALA A 29 -5.895 0.033 1.744 1.00 0.00 C ATOM 0 H ALA A 29 -6.287 -0.612 4.082 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.125 0.671 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.624 0.517 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.581 -1.010 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.975 0.083 1.879 1.00 0.00 H new ATOM 418 N LEU A 30 -6.722 2.609 3.498 1.00 0.00 N ATOM 419 CA LEU A 30 -7.167 4.001 3.583 1.00 0.00 C ATOM 420 C LEU A 30 -6.218 4.849 4.418 1.00 0.00 C ATOM 421 O LEU A 30 -5.730 5.859 3.916 1.00 0.00 O ATOM 422 CB LEU A 30 -8.591 4.109 4.162 1.00 0.00 C ATOM 423 CG LEU A 30 -9.696 3.801 3.140 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.016 3.531 3.868 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.893 4.949 2.138 1.00 0.00 C ATOM 0 H LEU A 30 -7.384 1.944 3.899 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.171 4.383 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.685 3.423 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.740 5.116 4.553 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.386 2.918 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.796 3.313 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.895 2.678 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.298 4.409 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.684 4.687 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.170 5.856 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.965 5.119 1.593 1.00 0.00 H new ATOM 437 N VAL A 31 -5.927 4.451 5.659 1.00 0.00 N ATOM 438 CA VAL A 31 -5.046 5.219 6.537 1.00 0.00 C ATOM 439 C VAL A 31 -3.663 5.430 5.907 1.00 0.00 C ATOM 440 O VAL A 31 -3.104 6.531 5.978 1.00 0.00 O ATOM 441 CB VAL A 31 -5.056 4.602 7.953 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.355 3.247 8.073 1.00 0.00 C ATOM 443 CG2 VAL A 31 -4.453 5.558 8.981 1.00 0.00 C ATOM 0 H VAL A 31 -6.292 3.596 6.079 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.423 6.234 6.659 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.113 4.430 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.415 2.896 9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.841 2.526 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.309 3.352 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.475 5.093 9.967 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.422 5.782 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.031 6.482 9.002 1.00 0.00 H new ATOM 453 N ILE A 32 -3.120 4.416 5.229 1.00 0.00 N ATOM 454 CA ILE A 32 -1.817 4.518 4.585 1.00 0.00 C ATOM 455 C ILE A 32 -1.907 5.432 3.356 1.00 0.00 C ATOM 456 O ILE A 32 -0.938 6.129 3.046 1.00 0.00 O ATOM 457 CB ILE A 32 -1.305 3.112 4.225 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.161 2.200 5.460 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.067 3.221 3.559 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.042 0.729 5.054 1.00 0.00 C ATOM 0 H ILE A 32 -3.571 3.508 5.114 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.099 4.967 5.271 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.042 2.671 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.281 2.494 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.023 2.330 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.428 2.225 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.015 3.820 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.768 3.697 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.942 0.112 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.935 0.430 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.165 0.596 4.421 1.00 0.00 H new ATOM 472 N ALA A 33 -3.042 5.445 2.653 1.00 0.00 N ATOM 473 CA ALA A 33 -3.291 6.267 1.476 1.00 0.00 C ATOM 474 C ALA A 33 -3.760 7.678 1.855 1.00 0.00 C ATOM 475 O ALA A 33 -4.053 8.485 0.972 1.00 0.00 O ATOM 476 CB ALA A 33 -4.339 5.577 0.609 1.00 0.00 C ATOM 0 H ALA A 33 -3.840 4.860 2.901 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.358 6.377 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.535 6.182 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.971 4.597 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.261 5.458 1.178 1.00 0.00 H new ATOM 482 N HIS A 34 -3.799 7.996 3.151 1.00 0.00 N ATOM 483 CA HIS A 34 -4.249 9.278 3.699 1.00 0.00 C ATOM 484 C HIS A 34 -5.697 9.518 3.249 1.00 0.00 C ATOM 485 O HIS A 34 -6.045 10.546 2.664 1.00 0.00 O ATOM 486 CB HIS A 34 -3.296 10.436 3.339 1.00 0.00 C ATOM 487 CG HIS A 34 -1.862 10.287 3.792 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.898 11.265 3.700 1.00 0.00 N ATOM 489 CD2 HIS A 34 -1.280 9.196 4.379 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.229 10.779 4.242 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.039 9.526 4.693 1.00 0.00 N ATOM 0 H HIS A 34 -3.506 7.341 3.876 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.227 9.239 4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.302 10.560 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.697 11.355 3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.758 8.246 4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.161 11.320 4.307 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.722 8.936 5.169 1.00 0.00 H new ATOM 499 N ASN A 35 -6.552 8.529 3.520 1.00 0.00 N ATOM 500 CA ASN A 35 -7.978 8.466 3.206 1.00 0.00 C ATOM 501 C ASN A 35 -8.288 8.498 1.705 1.00 0.00 C ATOM 502 O ASN A 35 -9.454 8.575 1.331 1.00 0.00 O ATOM 503 CB ASN A 35 -8.764 9.533 3.990 1.00 0.00 C ATOM 504 CG ASN A 35 -10.239 9.173 4.122 1.00 0.00 C ATOM 505 OD1 ASN A 35 -10.588 8.030 4.405 1.00 0.00 O ATOM 506 ND2 ASN A 35 -11.148 10.126 3.998 1.00 0.00 N ATOM 0 H ASN A 35 -6.239 7.687 4.002 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.319 7.485 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.329 9.648 4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.669 10.495 3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.135 9.910 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.862 11.076 3.763 1.00 0.00 H new ATOM 513 N ASN A 36 -7.277 8.455 0.831 1.00 0.00 N ATOM 514 CA ASN A 36 -7.473 8.479 -0.614 1.00 0.00 C ATOM 515 C ASN A 36 -7.978 7.112 -1.062 1.00 0.00 C ATOM 516 O ASN A 36 -7.193 6.167 -1.145 1.00 0.00 O ATOM 517 CB ASN A 36 -6.173 8.871 -1.332 1.00 0.00 C ATOM 518 CG ASN A 36 -6.339 8.972 -2.845 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.155 8.298 -3.463 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.546 9.806 -3.486 1.00 0.00 N ATOM 0 H ASN A 36 -6.298 8.402 1.112 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.216 9.232 -0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.824 9.828 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.402 8.135 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.610 9.893 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.868 10.365 -2.968 1.00 0.00 H new ATOM 527 N ILE A 37 -9.273 6.996 -1.355 1.00 0.00 N ATOM 528 CA ILE A 37 -9.887 5.745 -1.786 1.00 0.00 C ATOM 529 C ILE A 37 -9.284 5.211 -3.091 1.00 0.00 C ATOM 530 O ILE A 37 -9.077 4.009 -3.212 1.00 0.00 O ATOM 531 CB ILE A 37 -11.424 5.918 -1.877 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.171 4.592 -2.113 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.853 6.917 -2.969 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.193 3.677 -0.885 1.00 0.00 C ATOM 0 H ILE A 37 -9.929 7.775 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.669 4.986 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.702 6.313 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.196 4.810 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.702 4.063 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.940 6.995 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.422 7.895 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.501 6.568 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.735 2.762 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.171 3.429 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.688 4.188 -0.059 1.00 0.00 H new ATOM 546 N GLU A 38 -8.991 6.065 -4.071 1.00 0.00 N ATOM 547 CA GLU A 38 -8.444 5.659 -5.368 1.00 0.00 C ATOM 548 C GLU A 38 -7.074 4.996 -5.205 1.00 0.00 C ATOM 549 O GLU A 38 -6.737 4.020 -5.880 1.00 0.00 O ATOM 550 CB GLU A 38 -8.305 6.889 -6.284 1.00 0.00 C ATOM 551 CG GLU A 38 -9.593 7.714 -6.450 1.00 0.00 C ATOM 552 CD GLU A 38 -10.106 7.632 -7.879 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.834 6.656 -8.184 1.00 0.00 O ATOM 554 OE2 GLU A 38 -9.795 8.516 -8.715 1.00 0.00 O ATOM 0 H GLU A 38 -9.128 7.072 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.130 4.938 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.524 7.536 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.973 6.557 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.356 7.348 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.400 8.754 -6.187 1.00 0.00 H new ATOM 561 N MET A 39 -6.268 5.555 -4.312 1.00 0.00 N ATOM 562 CA MET A 39 -4.935 5.092 -3.986 1.00 0.00 C ATOM 563 C MET A 39 -5.063 3.818 -3.149 1.00 0.00 C ATOM 564 O MET A 39 -4.427 2.811 -3.454 1.00 0.00 O ATOM 565 CB MET A 39 -4.256 6.241 -3.249 1.00 0.00 C ATOM 566 CG MET A 39 -2.770 6.081 -2.971 1.00 0.00 C ATOM 567 SD MET A 39 -2.108 7.626 -2.291 1.00 0.00 S ATOM 568 CE MET A 39 -0.351 7.272 -2.484 1.00 0.00 C ATOM 0 H MET A 39 -6.541 6.378 -3.775 1.00 0.00 H new ATOM 0 HA MET A 39 -4.332 4.832 -4.856 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.399 7.152 -3.831 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.768 6.387 -2.298 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.607 5.264 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.244 5.821 -3.890 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.225 8.180 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.054 6.505 -1.769 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.160 6.917 -3.497 1.00 0.00 H new ATOM 578 N ALA A 40 -5.931 3.825 -2.132 1.00 0.00 N ATOM 579 CA ALA A 40 -6.173 2.689 -1.254 1.00 0.00 C ATOM 580 C ALA A 40 -6.647 1.475 -2.062 1.00 0.00 C ATOM 581 O ALA A 40 -6.234 0.345 -1.793 1.00 0.00 O ATOM 582 CB ALA A 40 -7.192 3.088 -0.186 1.00 0.00 C ATOM 0 H ALA A 40 -6.495 4.642 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.245 2.403 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.377 2.241 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.801 3.923 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.125 3.385 -0.666 1.00 0.00 H new ATOM 588 N LYS A 41 -7.483 1.694 -3.083 1.00 0.00 N ATOM 589 CA LYS A 41 -7.988 0.634 -3.948 1.00 0.00 C ATOM 590 C LYS A 41 -6.824 -0.065 -4.623 1.00 0.00 C ATOM 591 O LYS A 41 -6.843 -1.293 -4.687 1.00 0.00 O ATOM 592 CB LYS A 41 -8.941 1.196 -5.008 1.00 0.00 C ATOM 593 CG LYS A 41 -10.349 1.338 -4.436 1.00 0.00 C ATOM 594 CD LYS A 41 -11.306 1.921 -5.475 1.00 0.00 C ATOM 595 CE LYS A 41 -12.695 2.016 -4.849 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.764 2.104 -5.855 1.00 0.00 N ATOM 0 H LYS A 41 -7.828 2.621 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.542 -0.078 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.582 2.166 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.959 0.537 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.712 0.364 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.325 1.982 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.965 2.906 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.332 1.290 -6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.866 1.144 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.738 2.891 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.686 2.166 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.620 2.951 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.743 1.257 -6.458 1.00 0.00 H new ATOM 610 N ASN A 42 -5.831 0.683 -5.112 1.00 0.00 N ATOM 611 CA ASN A 42 -4.663 0.102 -5.764 1.00 0.00 C ATOM 612 C ASN A 42 -3.935 -0.818 -4.790 1.00 0.00 C ATOM 613 O ASN A 42 -3.565 -1.920 -5.188 1.00 0.00 O ATOM 614 CB ASN A 42 -3.695 1.179 -6.291 1.00 0.00 C ATOM 615 CG ASN A 42 -4.013 1.694 -7.682 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.935 1.225 -8.347 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.257 2.647 -8.193 1.00 0.00 N ATOM 0 H ASN A 42 -5.817 1.702 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.015 -0.469 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.698 2.020 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.685 0.770 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.439 2.992 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.491 3.039 -7.645 1.00 0.00 H new ATOM 624 N ILE A 43 -3.746 -0.389 -3.534 1.00 0.00 N ATOM 625 CA ILE A 43 -3.067 -1.174 -2.499 1.00 0.00 C ATOM 626 C ILE A 43 -3.754 -2.539 -2.405 1.00 0.00 C ATOM 627 O ILE A 43 -3.130 -3.589 -2.581 1.00 0.00 O ATOM 628 CB ILE A 43 -3.045 -0.426 -1.134 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.386 0.964 -1.255 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.275 -1.253 -0.111 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.369 1.816 0.017 1.00 0.00 C ATOM 0 H ILE A 43 -4.065 0.523 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.021 -1.319 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.078 -0.288 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.358 0.828 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.904 1.522 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.260 -0.728 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.760 -2.221 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.253 -1.402 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.882 2.769 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.392 1.996 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.821 1.291 0.799 1.00 0.00 H new ATOM 643 N LEU A 44 -5.067 -2.512 -2.172 1.00 0.00 N ATOM 644 CA LEU A 44 -5.882 -3.706 -2.040 1.00 0.00 C ATOM 645 C LEU A 44 -5.837 -4.595 -3.278 1.00 0.00 C ATOM 646 O LEU A 44 -5.765 -5.809 -3.136 1.00 0.00 O ATOM 647 CB LEU A 44 -7.347 -3.317 -1.791 1.00 0.00 C ATOM 648 CG LEU A 44 -7.639 -2.650 -0.443 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.114 -2.245 -0.431 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.337 -3.588 0.728 1.00 0.00 C ATOM 0 H LEU A 44 -5.595 -1.645 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.470 -4.265 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.664 -2.642 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.960 -4.214 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.997 -1.777 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.352 -1.766 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.307 -1.548 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.736 -3.131 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.556 -3.080 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.955 -4.482 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.285 -3.871 0.706 1.00 0.00 H new ATOM 662 N ARG A 45 -5.872 -4.013 -4.479 1.00 0.00 N ATOM 663 CA ARG A 45 -5.877 -4.755 -5.740 1.00 0.00 C ATOM 664 C ARG A 45 -4.558 -5.393 -6.146 1.00 0.00 C ATOM 665 O ARG A 45 -4.542 -6.141 -7.129 1.00 0.00 O ATOM 666 CB ARG A 45 -6.393 -3.832 -6.857 1.00 0.00 C ATOM 667 CG ARG A 45 -7.337 -4.584 -7.796 1.00 0.00 C ATOM 668 CD ARG A 45 -8.341 -3.624 -8.446 1.00 0.00 C ATOM 669 NE ARG A 45 -9.493 -4.351 -8.991 1.00 0.00 N ATOM 670 CZ ARG A 45 -9.503 -5.056 -10.124 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.438 -5.090 -10.915 1.00 0.00 N ATOM 672 NH2 ARG A 45 -10.593 -5.732 -10.458 1.00 0.00 N ATOM 0 H ARG A 45 -5.898 -3.001 -4.604 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.539 -5.605 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.913 -2.980 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.551 -3.435 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.760 -5.091 -8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.872 -5.354 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.682 -2.897 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.850 -3.065 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.362 -4.314 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.597 -4.573 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.461 -5.633 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.413 -5.710 -9.851 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.612 -6.274 -11.322 1.00 0.00 H new ATOM 686 N GLU A 46 -3.480 -5.124 -5.420 1.00 0.00 N ATOM 687 CA GLU A 46 -2.162 -5.656 -5.708 1.00 0.00 C ATOM 688 C GLU A 46 -1.586 -6.493 -4.571 1.00 0.00 C ATOM 689 O GLU A 46 -0.945 -7.509 -4.850 1.00 0.00 O ATOM 690 CB GLU A 46 -1.234 -4.486 -6.053 1.00 0.00 C ATOM 691 CG GLU A 46 -1.352 -4.042 -7.518 1.00 0.00 C ATOM 692 CD GLU A 46 -1.082 -5.155 -8.546 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.214 -6.039 -8.335 1.00 0.00 O ATOM 694 OE2 GLU A 46 -1.769 -5.169 -9.598 1.00 0.00 O ATOM 0 H GLU A 46 -3.502 -4.518 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.249 -6.339 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.465 -3.642 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.203 -4.774 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.354 -3.646 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.653 -3.225 -7.694 1.00 0.00 H new ATOM 701 N PHE A 47 -1.758 -6.088 -3.313 1.00 0.00 N ATOM 702 CA PHE A 47 -1.229 -6.849 -2.183 1.00 0.00 C ATOM 703 C PHE A 47 -2.261 -7.839 -1.645 1.00 0.00 C ATOM 704 O PHE A 47 -1.886 -8.893 -1.131 1.00 0.00 O ATOM 705 CB PHE A 47 -0.768 -5.891 -1.090 1.00 0.00 C ATOM 706 CG PHE A 47 0.551 -5.207 -1.413 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.589 -4.006 -2.154 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.752 -5.757 -0.924 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.820 -3.392 -2.437 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.980 -5.152 -1.225 1.00 0.00 C ATOM 711 CZ PHE A 47 3.013 -3.974 -1.983 1.00 0.00 C ATOM 0 H PHE A 47 -2.259 -5.239 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.374 -7.432 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.535 -5.132 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.666 -6.440 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.330 -3.559 -2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.727 -6.648 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.848 -2.473 -3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.900 -5.594 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.960 -3.512 -2.219 1.00 0.00 H new ATOM 721 N SER A 48 -3.543 -7.509 -1.744 1.00 0.00 N ATOM 722 CA SER A 48 -4.648 -8.336 -1.298 1.00 0.00 C ATOM 723 C SER A 48 -5.382 -8.861 -2.541 1.00 0.00 C ATOM 724 O SER A 48 -4.965 -8.620 -3.683 1.00 0.00 O ATOM 725 CB SER A 48 -5.501 -7.506 -0.324 1.00 0.00 C ATOM 726 OG SER A 48 -4.905 -7.502 0.961 1.00 0.00 O ATOM 0 H SER A 48 -3.848 -6.626 -2.152 1.00 0.00 H new ATOM 0 HA SER A 48 -4.336 -9.220 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.598 -6.485 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.508 -7.920 -0.266 1.00 0.00 H new ATOM 0 HG SER A 48 -5.454 -6.970 1.574 1.00 0.00 H new ATOM 732 N GLY A 49 -6.469 -9.604 -2.342 1.00 0.00 N ATOM 733 CA GLY A 49 -7.232 -10.160 -3.443 1.00 0.00 C ATOM 734 C GLY A 49 -8.600 -10.665 -2.992 1.00 0.00 C ATOM 735 O GLY A 49 -8.966 -10.507 -1.822 1.00 0.00 O ATOM 0 H GLY A 49 -6.838 -9.833 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.362 -9.401 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.673 -10.980 -3.894 1.00 0.00 H new ATOM 739 N PRO A 50 -9.392 -11.192 -3.939 1.00 0.00 N ATOM 740 CA PRO A 50 -10.712 -11.730 -3.659 1.00 0.00 C ATOM 741 C PRO A 50 -10.576 -13.063 -2.911 1.00 0.00 C ATOM 742 O PRO A 50 -9.566 -13.759 -3.040 1.00 0.00 O ATOM 743 CB PRO A 50 -11.360 -11.899 -5.034 1.00 0.00 C ATOM 744 CG PRO A 50 -10.180 -12.174 -5.965 1.00 0.00 C ATOM 745 CD PRO A 50 -9.028 -11.396 -5.335 1.00 0.00 C ATOM 0 HA PRO A 50 -11.318 -11.087 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.074 -12.722 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.904 -11.003 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.958 -13.239 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.384 -11.834 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.093 -11.950 -5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.879 -10.443 -5.842 1.00 0.00 H new ATOM 753 N SER A 51 -11.625 -13.453 -2.191 1.00 0.00 N ATOM 754 CA SER A 51 -11.671 -14.679 -1.400 1.00 0.00 C ATOM 755 C SER A 51 -12.798 -15.630 -1.818 1.00 0.00 C ATOM 756 O SER A 51 -12.687 -16.834 -1.583 1.00 0.00 O ATOM 757 CB SER A 51 -11.737 -14.292 0.085 1.00 0.00 C ATOM 758 OG SER A 51 -12.652 -13.229 0.303 1.00 0.00 O ATOM 0 H SER A 51 -12.488 -12.911 -2.141 1.00 0.00 H new ATOM 0 HA SER A 51 -10.763 -15.252 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.036 -15.158 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.746 -13.998 0.430 1.00 0.00 H new ATOM 0 HG SER A 51 -12.673 -13.006 1.257 1.00 0.00 H new ATOM 764 N SER A 52 -13.862 -15.127 -2.447 1.00 0.00 N ATOM 765 CA SER A 52 -15.006 -15.901 -2.912 1.00 0.00 C ATOM 766 C SER A 52 -15.450 -15.295 -4.239 1.00 0.00 C ATOM 767 O SER A 52 -15.693 -14.084 -4.298 1.00 0.00 O ATOM 768 CB SER A 52 -16.160 -15.845 -1.899 1.00 0.00 C ATOM 769 OG SER A 52 -15.778 -16.291 -0.610 1.00 0.00 O ATOM 0 H SER A 52 -13.950 -14.132 -2.652 1.00 0.00 H new ATOM 0 HA SER A 52 -14.727 -16.948 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.528 -14.821 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.986 -16.457 -2.261 1.00 0.00 H new ATOM 0 HG SER A 52 -16.546 -16.234 -0.003 1.00 0.00 H new ATOM 775 N GLY A 53 -15.598 -16.124 -5.274 1.00 0.00 N ATOM 776 CA GLY A 53 -16.008 -15.678 -6.598 1.00 0.00 C ATOM 777 C GLY A 53 -14.806 -15.151 -7.350 1.00 0.00 C ATOM 778 O GLY A 53 -14.688 -15.454 -8.551 1.00 0.00 O ATOM 0 H GLY A 53 -15.435 -17.129 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.460 -16.504 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.766 -14.899 -6.512 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 12.107 8.204 14.561 1.00 0.00 N ATOM 784 CA GLY B 1 12.339 9.158 13.469 1.00 0.00 C ATOM 785 C GLY B 1 13.270 8.565 12.428 1.00 0.00 C ATOM 786 O GLY B 1 14.147 7.768 12.762 1.00 0.00 O ATOM 0 H1 GLY B 1 11.138 7.833 14.497 1.00 0.00 H new ATOM 0 H2 GLY B 1 12.784 7.419 14.486 1.00 0.00 H new ATOM 0 H3 GLY B 1 12.234 8.684 15.475 1.00 0.00 H new ATOM 0 HA2 GLY B 1 11.390 9.425 13.005 1.00 0.00 H new ATOM 0 HA3 GLY B 1 12.769 10.077 13.867 1.00 0.00 H new ATOM 790 N SER B 2 13.079 8.941 11.165 1.00 0.00 N ATOM 791 CA SER B 2 13.857 8.484 10.023 1.00 0.00 C ATOM 792 C SER B 2 15.342 8.740 10.261 1.00 0.00 C ATOM 793 O SER B 2 15.715 9.846 10.666 1.00 0.00 O ATOM 794 CB SER B 2 13.383 9.232 8.775 1.00 0.00 C ATOM 795 OG SER B 2 11.989 9.053 8.588 1.00 0.00 O ATOM 0 H SER B 2 12.346 9.600 10.902 1.00 0.00 H new ATOM 0 HA SER B 2 13.714 7.412 9.885 1.00 0.00 H new ATOM 0 HB2 SER B 2 13.609 10.294 8.872 1.00 0.00 H new ATOM 0 HB3 SER B 2 13.923 8.870 7.900 1.00 0.00 H new ATOM 0 HG SER B 2 11.701 9.539 7.787 1.00 0.00 H new ATOM 801 N SER B 3 16.188 7.742 10.009 1.00 0.00 N ATOM 802 CA SER B 3 17.622 7.860 10.203 1.00 0.00 C ATOM 803 C SER B 3 18.402 7.050 9.171 1.00 0.00 C ATOM 804 O SER B 3 17.828 6.255 8.421 1.00 0.00 O ATOM 805 CB SER B 3 17.945 7.470 11.648 1.00 0.00 C ATOM 806 OG SER B 3 17.496 6.169 11.959 1.00 0.00 O ATOM 0 H SER B 3 15.892 6.829 9.664 1.00 0.00 H new ATOM 0 HA SER B 3 17.938 8.891 10.044 1.00 0.00 H new ATOM 0 HB2 SER B 3 19.022 7.529 11.807 1.00 0.00 H new ATOM 0 HB3 SER B 3 17.482 8.185 12.328 1.00 0.00 H new ATOM 0 HG SER B 3 17.723 5.958 12.889 1.00 0.00 H new ATOM 812 N GLY B 4 19.726 7.202 9.178 1.00 0.00 N ATOM 813 CA GLY B 4 20.622 6.524 8.262 1.00 0.00 C ATOM 814 C GLY B 4 20.879 7.392 7.035 1.00 0.00 C ATOM 815 O GLY B 4 20.373 8.511 6.908 1.00 0.00 O ATOM 0 H GLY B 4 20.208 7.814 9.837 1.00 0.00 H new ATOM 0 HA2 GLY B 4 21.564 6.301 8.762 1.00 0.00 H new ATOM 0 HA3 GLY B 4 20.189 5.571 7.958 1.00 0.00 H new ATOM 819 N SER B 5 21.723 6.900 6.138 1.00 0.00 N ATOM 820 CA SER B 5 22.062 7.594 4.909 1.00 0.00 C ATOM 821 C SER B 5 20.860 7.535 3.961 1.00 0.00 C ATOM 822 O SER B 5 20.249 6.479 3.776 1.00 0.00 O ATOM 823 CB SER B 5 23.338 7.001 4.291 1.00 0.00 C ATOM 824 OG SER B 5 23.720 5.762 4.863 1.00 0.00 O ATOM 0 H SER B 5 22.193 6.001 6.246 1.00 0.00 H new ATOM 0 HA SER B 5 22.280 8.643 5.111 1.00 0.00 H new ATOM 0 HB2 SER B 5 23.185 6.866 3.220 1.00 0.00 H new ATOM 0 HB3 SER B 5 24.154 7.714 4.409 1.00 0.00 H new ATOM 0 HG SER B 5 24.535 5.438 4.427 1.00 0.00 H new ATOM 830 N SER B 6 20.525 8.669 3.352 1.00 0.00 N ATOM 831 CA SER B 6 19.434 8.863 2.404 1.00 0.00 C ATOM 832 C SER B 6 19.978 9.705 1.247 1.00 0.00 C ATOM 833 O SER B 6 21.097 10.217 1.338 1.00 0.00 O ATOM 834 CB SER B 6 18.269 9.552 3.125 1.00 0.00 C ATOM 835 OG SER B 6 17.586 8.642 3.962 1.00 0.00 O ATOM 0 H SER B 6 21.042 9.532 3.519 1.00 0.00 H new ATOM 0 HA SER B 6 19.060 7.919 2.007 1.00 0.00 H new ATOM 0 HB2 SER B 6 18.645 10.386 3.718 1.00 0.00 H new ATOM 0 HB3 SER B 6 17.577 9.968 2.392 1.00 0.00 H new ATOM 0 HG SER B 6 17.204 7.921 3.419 1.00 0.00 H new ATOM 841 N GLY B 7 19.211 9.879 0.176 1.00 0.00 N ATOM 842 CA GLY B 7 19.635 10.647 -0.988 1.00 0.00 C ATOM 843 C GLY B 7 18.830 10.236 -2.209 1.00 0.00 C ATOM 844 O GLY B 7 18.396 11.090 -2.985 1.00 0.00 O ATOM 0 H GLY B 7 18.272 9.489 0.091 1.00 0.00 H new ATOM 0 HA2 GLY B 7 19.503 11.712 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY B 7 20.697 10.485 -1.172 1.00 0.00 H new ATOM 848 N GLN B 8 18.614 8.935 -2.386 1.00 0.00 N ATOM 849 CA GLN B 8 17.847 8.385 -3.486 1.00 0.00 C ATOM 850 C GLN B 8 17.023 7.219 -2.965 1.00 0.00 C ATOM 851 O GLN B 8 17.486 6.422 -2.150 1.00 0.00 O ATOM 852 CB GLN B 8 18.752 7.933 -4.654 1.00 0.00 C ATOM 853 CG GLN B 8 18.540 8.775 -5.922 1.00 0.00 C ATOM 854 CD GLN B 8 17.076 8.877 -6.352 1.00 0.00 C ATOM 855 OE1 GLN B 8 16.289 7.948 -6.192 1.00 0.00 O ATOM 856 NE2 GLN B 8 16.653 10.023 -6.849 1.00 0.00 N ATOM 0 H GLN B 8 18.978 8.224 -1.752 1.00 0.00 H new ATOM 0 HA GLN B 8 17.193 9.162 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN B 8 19.796 8.000 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN B 8 18.553 6.885 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN B 8 18.930 9.778 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN B 8 19.120 8.342 -6.737 1.00 0.00 H new ATOM 0 HE21 GLN B 8 17.308 10.794 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN B 8 15.671 10.138 -7.101 1.00 0.00 H new ATOM 865 N LEU B 9 15.796 7.118 -3.470 1.00 0.00 N ATOM 866 CA LEU B 9 14.850 6.071 -3.120 1.00 0.00 C ATOM 867 C LEU B 9 15.417 4.729 -3.564 1.00 0.00 C ATOM 868 O LEU B 9 15.164 3.718 -2.915 1.00 0.00 O ATOM 869 CB LEU B 9 13.496 6.332 -3.785 1.00 0.00 C ATOM 870 CG LEU B 9 12.677 7.425 -3.082 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.323 8.812 -3.068 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.318 7.531 -3.764 1.00 0.00 C ATOM 0 H LEU B 9 15.426 7.781 -4.151 1.00 0.00 H new ATOM 0 HA LEU B 9 14.695 6.060 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.658 6.620 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.920 5.407 -3.797 1.00 0.00 H new ATOM 0 HG LEU B 9 12.603 7.117 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.669 9.513 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.282 8.762 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.479 9.151 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.725 8.304 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.457 7.790 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.799 6.575 -3.692 1.00 0.00 H new ATOM 884 N SER B 10 16.220 4.732 -4.630 1.00 0.00 N ATOM 885 CA SER B 10 16.876 3.561 -5.174 1.00 0.00 C ATOM 886 C SER B 10 17.696 2.869 -4.080 1.00 0.00 C ATOM 887 O SER B 10 17.726 1.641 -4.013 1.00 0.00 O ATOM 888 CB SER B 10 17.782 4.018 -6.317 1.00 0.00 C ATOM 889 OG SER B 10 17.064 4.814 -7.240 1.00 0.00 O ATOM 0 H SER B 10 16.433 5.583 -5.150 1.00 0.00 H new ATOM 0 HA SER B 10 16.141 2.847 -5.546 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.622 4.586 -5.916 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.199 3.149 -6.826 1.00 0.00 H new ATOM 0 HG SER B 10 17.662 5.097 -7.962 1.00 0.00 H new ATOM 895 N SER B 11 18.335 3.657 -3.217 1.00 0.00 N ATOM 896 CA SER B 11 19.152 3.205 -2.111 1.00 0.00 C ATOM 897 C SER B 11 18.267 2.635 -0.993 1.00 0.00 C ATOM 898 O SER B 11 18.598 1.607 -0.404 1.00 0.00 O ATOM 899 CB SER B 11 19.943 4.411 -1.588 1.00 0.00 C ATOM 900 OG SER B 11 20.294 5.351 -2.595 1.00 0.00 O ATOM 0 H SER B 11 18.290 4.674 -3.280 1.00 0.00 H new ATOM 0 HA SER B 11 19.829 2.417 -2.441 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.353 4.916 -0.823 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.853 4.054 -1.105 1.00 0.00 H new ATOM 0 HG SER B 11 19.599 6.039 -2.656 1.00 0.00 H new ATOM 906 N GLU B 12 17.141 3.300 -0.699 1.00 0.00 N ATOM 907 CA GLU B 12 16.191 2.899 0.340 1.00 0.00 C ATOM 908 C GLU B 12 15.577 1.534 0.000 1.00 0.00 C ATOM 909 O GLU B 12 15.392 0.695 0.882 1.00 0.00 O ATOM 910 CB GLU B 12 15.076 3.954 0.513 1.00 0.00 C ATOM 911 CG GLU B 12 15.517 5.419 0.709 1.00 0.00 C ATOM 912 CD GLU B 12 16.184 5.740 2.053 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.720 4.827 2.715 1.00 0.00 O ATOM 914 OE2 GLU B 12 16.123 6.915 2.500 1.00 0.00 O ATOM 0 H GLU B 12 16.862 4.150 -1.189 1.00 0.00 H new ATOM 0 HA GLU B 12 16.734 2.821 1.282 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.430 3.910 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.469 3.666 1.371 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.210 5.680 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.643 6.060 0.596 1.00 0.00 H new ATOM 921 N ILE B 13 15.287 1.292 -1.283 1.00 0.00 N ATOM 922 CA ILE B 13 14.713 0.046 -1.788 1.00 0.00 C ATOM 923 C ILE B 13 15.645 -1.112 -1.420 1.00 0.00 C ATOM 924 O ILE B 13 15.180 -2.171 -0.999 1.00 0.00 O ATOM 925 CB ILE B 13 14.466 0.178 -3.315 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.251 1.106 -3.559 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.266 -1.178 -4.033 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.182 1.677 -4.978 1.00 0.00 C ATOM 0 H ILE B 13 15.451 1.980 -2.018 1.00 0.00 H new ATOM 0 HA ILE B 13 13.746 -0.162 -1.331 1.00 0.00 H new ATOM 0 HB ILE B 13 15.368 0.611 -3.748 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.335 0.550 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.287 1.931 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.099 -1.006 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.155 -1.794 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.403 -1.691 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.304 2.317 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.080 2.262 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.113 0.860 -5.696 1.00 0.00 H new ATOM 940 N GLU B 14 16.960 -0.925 -1.551 1.00 0.00 N ATOM 941 CA GLU B 14 17.922 -1.971 -1.228 1.00 0.00 C ATOM 942 C GLU B 14 17.918 -2.297 0.267 1.00 0.00 C ATOM 943 O GLU B 14 18.297 -3.407 0.640 1.00 0.00 O ATOM 944 CB GLU B 14 19.323 -1.593 -1.722 1.00 0.00 C ATOM 945 CG GLU B 14 19.336 -1.432 -3.248 1.00 0.00 C ATOM 946 CD GLU B 14 20.742 -1.256 -3.815 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.599 -0.608 -3.175 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.006 -1.822 -4.902 1.00 0.00 O ATOM 0 H GLU B 14 17.380 -0.055 -1.880 1.00 0.00 H new ATOM 0 HA GLU B 14 17.619 -2.878 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.641 -0.663 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.038 -2.361 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.873 -2.307 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.728 -0.570 -3.522 1.00 0.00 H new ATOM 955 N ARG B 15 17.518 -1.365 1.141 1.00 0.00 N ATOM 956 CA ARG B 15 17.466 -1.633 2.581 1.00 0.00 C ATOM 957 C ARG B 15 16.184 -2.386 2.913 1.00 0.00 C ATOM 958 O ARG B 15 16.134 -3.084 3.924 1.00 0.00 O ATOM 959 CB ARG B 15 17.561 -0.345 3.409 1.00 0.00 C ATOM 960 CG ARG B 15 18.906 0.358 3.197 1.00 0.00 C ATOM 961 CD ARG B 15 19.094 1.490 4.208 1.00 0.00 C ATOM 962 NE ARG B 15 20.288 2.269 3.869 1.00 0.00 N ATOM 963 CZ ARG B 15 21.122 2.913 4.686 1.00 0.00 C ATOM 964 NH1 ARG B 15 20.952 2.925 6.002 1.00 0.00 N ATOM 965 NH2 ARG B 15 22.157 3.552 4.163 1.00 0.00 N ATOM 0 H ARG B 15 17.227 -0.424 0.877 1.00 0.00 H new ATOM 0 HA ARG B 15 18.329 -2.246 2.842 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.749 0.328 3.132 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.434 -0.580 4.466 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.718 -0.363 3.297 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.957 0.757 2.184 1.00 0.00 H new ATOM 0 HD2 ARG B 15 18.216 2.136 4.211 1.00 0.00 H new ATOM 0 HD3 ARG B 15 19.190 1.079 5.213 1.00 0.00 H new ATOM 0 HE ARG B 15 20.511 2.326 2.875 1.00 0.00 H new ATOM 0 HH11 ARG B 15 20.163 2.431 6.419 1.00 0.00 H new ATOM 0 HH12 ARG B 15 21.610 3.428 6.597 1.00 0.00 H new ATOM 0 HH21 ARG B 15 22.304 3.545 3.154 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.808 4.051 4.769 1.00 0.00 H new ATOM 979 N LEU B 16 15.122 -2.239 2.116 1.00 0.00 N ATOM 980 CA LEU B 16 13.869 -2.947 2.365 1.00 0.00 C ATOM 981 C LEU B 16 14.081 -4.438 2.118 1.00 0.00 C ATOM 982 O LEU B 16 13.559 -5.258 2.875 1.00 0.00 O ATOM 983 CB LEU B 16 12.739 -2.383 1.495 1.00 0.00 C ATOM 984 CG LEU B 16 12.078 -1.154 2.142 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.292 -0.364 1.096 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.146 -1.601 3.276 1.00 0.00 C ATOM 0 H LEU B 16 15.108 -1.636 1.294 1.00 0.00 H new ATOM 0 HA LEU B 16 13.569 -2.803 3.403 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.135 -2.110 0.517 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.988 -3.155 1.330 1.00 0.00 H new ATOM 0 HG LEU B 16 12.855 -0.510 2.553 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.829 0.503 1.567 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.968 -0.031 0.308 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.518 -1.000 0.666 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.681 -0.726 3.731 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.373 -2.256 2.875 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.722 -2.139 4.030 1.00 0.00 H new ATOM 998 N MET B 17 14.887 -4.787 1.110 1.00 0.00 N ATOM 999 CA MET B 17 15.203 -6.173 0.768 1.00 0.00 C ATOM 1000 C MET B 17 15.780 -6.890 1.989 1.00 0.00 C ATOM 1001 O MET B 17 15.400 -8.025 2.277 1.00 0.00 O ATOM 1002 CB MET B 17 16.230 -6.205 -0.367 1.00 0.00 C ATOM 1003 CG MET B 17 15.669 -5.701 -1.691 1.00 0.00 C ATOM 1004 SD MET B 17 16.978 -5.476 -2.915 1.00 0.00 S ATOM 1005 CE MET B 17 15.966 -5.131 -4.365 1.00 0.00 C ATOM 0 H MET B 17 15.342 -4.105 0.503 1.00 0.00 H new ATOM 0 HA MET B 17 14.290 -6.676 0.449 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.091 -5.597 -0.088 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.589 -7.226 -0.496 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.932 -6.409 -2.069 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.150 -4.756 -1.532 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.593 -5.140 -5.257 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.192 -5.893 -4.458 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.500 -4.151 -4.259 1.00 0.00 H new ATOM 1015 N SER B 18 16.630 -6.196 2.751 1.00 0.00 N ATOM 1016 CA SER B 18 17.283 -6.689 3.953 1.00 0.00 C ATOM 1017 C SER B 18 16.288 -7.155 5.025 1.00 0.00 C ATOM 1018 O SER B 18 16.687 -7.892 5.929 1.00 0.00 O ATOM 1019 CB SER B 18 18.208 -5.597 4.507 1.00 0.00 C ATOM 1020 OG SER B 18 18.910 -4.950 3.458 1.00 0.00 O ATOM 0 H SER B 18 16.889 -5.234 2.532 1.00 0.00 H new ATOM 0 HA SER B 18 17.865 -7.569 3.679 1.00 0.00 H new ATOM 0 HB2 SER B 18 17.622 -4.866 5.063 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.917 -6.037 5.208 1.00 0.00 H new ATOM 0 HG SER B 18 19.492 -4.257 3.833 1.00 0.00 H new ATOM 1026 N GLN B 19 15.016 -6.743 4.968 1.00 0.00 N ATOM 1027 CA GLN B 19 14.001 -7.155 5.932 1.00 0.00 C ATOM 1028 C GLN B 19 13.238 -8.384 5.428 1.00 0.00 C ATOM 1029 O GLN B 19 12.669 -9.110 6.241 1.00 0.00 O ATOM 1030 CB GLN B 19 13.038 -6.002 6.243 1.00 0.00 C ATOM 1031 CG GLN B 19 13.758 -4.824 6.922 1.00 0.00 C ATOM 1032 CD GLN B 19 12.776 -3.884 7.614 1.00 0.00 C ATOM 1033 OE1 GLN B 19 11.941 -4.320 8.400 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.822 -2.590 7.349 1.00 0.00 N ATOM 0 H GLN B 19 14.665 -6.112 4.247 1.00 0.00 H new ATOM 0 HA GLN B 19 14.507 -7.428 6.858 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.571 -5.659 5.320 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.238 -6.361 6.890 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.472 -5.206 7.652 1.00 0.00 H new ATOM 0 HG3 GLN B 19 14.329 -4.269 6.178 1.00 0.00 H new ATOM 0 HE21 GLN B 19 13.516 -2.228 6.696 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.163 -1.954 7.798 1.00 0.00 H new ATOM 1043 N GLY B 20 13.220 -8.638 4.115 1.00 0.00 N ATOM 1044 CA GLY B 20 12.544 -9.779 3.502 1.00 0.00 C ATOM 1045 C GLY B 20 11.611 -9.411 2.358 1.00 0.00 C ATOM 1046 O GLY B 20 11.298 -10.277 1.538 1.00 0.00 O ATOM 0 H GLY B 20 13.688 -8.039 3.435 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.296 -10.477 3.133 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.972 -10.303 4.268 1.00 0.00 H new ATOM 1050 N TYR B 21 11.167 -8.153 2.295 1.00 0.00 N ATOM 1051 CA TYR B 21 10.266 -7.668 1.257 1.00 0.00 C ATOM 1052 C TYR B 21 10.924 -7.898 -0.104 1.00 0.00 C ATOM 1053 O TYR B 21 12.045 -7.435 -0.328 1.00 0.00 O ATOM 1054 CB TYR B 21 9.946 -6.187 1.493 1.00 0.00 C ATOM 1055 CG TYR B 21 9.390 -5.866 2.872 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.121 -6.345 3.253 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.133 -5.072 3.768 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.582 -5.999 4.506 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.602 -4.727 5.025 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.315 -5.181 5.393 1.00 0.00 C ATOM 1061 OH TYR B 21 7.764 -4.820 6.582 1.00 0.00 O ATOM 0 H TYR B 21 11.429 -7.438 2.973 1.00 0.00 H new ATOM 0 HA TYR B 21 9.321 -8.211 1.284 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.854 -5.605 1.338 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.227 -5.861 0.742 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.561 -6.979 2.582 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.117 -4.726 3.488 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.605 -6.360 4.790 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.176 -4.117 5.707 1.00 0.00 H new ATOM 0 HH TYR B 21 8.395 -4.258 7.078 1.00 0.00 H new ATOM 1071 N SER B 22 10.259 -8.645 -0.984 1.00 0.00 N ATOM 1072 CA SER B 22 10.780 -8.947 -2.308 1.00 0.00 C ATOM 1073 C SER B 22 10.804 -7.684 -3.169 1.00 0.00 C ATOM 1074 O SER B 22 10.057 -6.734 -2.923 1.00 0.00 O ATOM 1075 CB SER B 22 9.934 -10.064 -2.916 1.00 0.00 C ATOM 1076 OG SER B 22 9.785 -11.119 -1.974 1.00 0.00 O ATOM 0 H SER B 22 9.345 -9.056 -0.795 1.00 0.00 H new ATOM 0 HA SER B 22 11.811 -9.295 -2.249 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.956 -9.678 -3.202 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.407 -10.438 -3.824 1.00 0.00 H new ATOM 0 HG SER B 22 9.240 -11.833 -2.366 1.00 0.00 H new ATOM 1082 N TYR B 23 11.634 -7.670 -4.212 1.00 0.00 N ATOM 1083 CA TYR B 23 11.762 -6.523 -5.098 1.00 0.00 C ATOM 1084 C TYR B 23 10.419 -6.116 -5.691 1.00 0.00 C ATOM 1085 O TYR B 23 10.088 -4.929 -5.702 1.00 0.00 O ATOM 1086 CB TYR B 23 12.765 -6.808 -6.222 1.00 0.00 C ATOM 1087 CG TYR B 23 12.971 -5.605 -7.123 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.482 -4.414 -6.578 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.602 -5.647 -8.481 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.666 -3.284 -7.384 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.762 -4.509 -9.293 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.302 -3.325 -8.745 1.00 0.00 C ATOM 1093 OH TYR B 23 13.450 -2.203 -9.493 1.00 0.00 O ATOM 0 H TYR B 23 12.235 -8.455 -4.463 1.00 0.00 H new ATOM 0 HA TYR B 23 12.132 -5.693 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.720 -7.103 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.412 -7.650 -6.817 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.735 -4.370 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.195 -6.555 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.086 -2.382 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.472 -4.541 -10.333 1.00 0.00 H new ATOM 0 HH TYR B 23 13.159 -2.382 -10.412 1.00 0.00 H new ATOM 1103 N GLN B 24 9.638 -7.093 -6.162 1.00 0.00 N ATOM 1104 CA GLN B 24 8.341 -6.800 -6.758 1.00 0.00 C ATOM 1105 C GLN B 24 7.406 -6.148 -5.745 1.00 0.00 C ATOM 1106 O GLN B 24 6.697 -5.210 -6.107 1.00 0.00 O ATOM 1107 CB GLN B 24 7.702 -8.056 -7.364 1.00 0.00 C ATOM 1108 CG GLN B 24 8.449 -8.496 -8.627 1.00 0.00 C ATOM 1109 CD GLN B 24 7.598 -9.382 -9.534 1.00 0.00 C ATOM 1110 OE1 GLN B 24 7.386 -9.079 -10.704 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.051 -10.468 -9.020 1.00 0.00 N ATOM 0 H GLN B 24 9.882 -8.083 -6.141 1.00 0.00 H new ATOM 0 HA GLN B 24 8.508 -6.091 -7.569 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.712 -8.863 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.658 -7.857 -7.605 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.767 -7.614 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.352 -9.036 -8.341 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.229 -10.717 -8.047 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.450 -11.058 -9.596 1.00 0.00 H new ATOM 1120 N ASP B 25 7.422 -6.607 -4.491 1.00 0.00 N ATOM 1121 CA ASP B 25 6.585 -6.062 -3.423 1.00 0.00 C ATOM 1122 C ASP B 25 6.989 -4.615 -3.189 1.00 0.00 C ATOM 1123 O ASP B 25 6.146 -3.723 -3.123 1.00 0.00 O ATOM 1124 CB ASP B 25 6.748 -6.822 -2.095 1.00 0.00 C ATOM 1125 CG ASP B 25 6.370 -8.291 -2.170 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.355 -8.631 -2.813 1.00 0.00 O ATOM 1127 OD2 ASP B 25 7.105 -9.112 -1.578 1.00 0.00 O ATOM 0 H ASP B 25 8.022 -7.374 -4.187 1.00 0.00 H new ATOM 0 HA ASP B 25 5.546 -6.156 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.784 -6.741 -1.767 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.135 -6.339 -1.335 1.00 0.00 H new ATOM 1132 N ILE B 26 8.296 -4.359 -3.076 1.00 0.00 N ATOM 1133 CA ILE B 26 8.815 -3.020 -2.852 1.00 0.00 C ATOM 1134 C ILE B 26 8.355 -2.114 -3.999 1.00 0.00 C ATOM 1135 O ILE B 26 7.781 -1.060 -3.727 1.00 0.00 O ATOM 1136 CB ILE B 26 10.344 -3.042 -2.632 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.746 -3.875 -1.392 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.839 -1.600 -2.434 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.209 -4.331 -1.440 1.00 0.00 C ATOM 0 H ILE B 26 9.017 -5.078 -3.138 1.00 0.00 H new ATOM 0 HA ILE B 26 8.412 -2.602 -1.930 1.00 0.00 H new ATOM 0 HB ILE B 26 10.798 -3.503 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.583 -3.282 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.099 -4.749 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.918 -1.604 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.603 -1.009 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.348 -1.163 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.439 -4.911 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.369 -4.948 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.861 -3.458 -1.483 1.00 0.00 H new ATOM 1151 N GLN B 27 8.574 -2.510 -5.257 1.00 0.00 N ATOM 1152 CA GLN B 27 8.160 -1.726 -6.418 1.00 0.00 C ATOM 1153 C GLN B 27 6.652 -1.462 -6.376 1.00 0.00 C ATOM 1154 O GLN B 27 6.243 -0.327 -6.610 1.00 0.00 O ATOM 1155 CB GLN B 27 8.568 -2.429 -7.724 1.00 0.00 C ATOM 1156 CG GLN B 27 10.083 -2.400 -7.976 1.00 0.00 C ATOM 1157 CD GLN B 27 10.611 -0.992 -8.246 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.319 -0.372 -9.267 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.405 -0.436 -7.347 1.00 0.00 N ATOM 0 H GLN B 27 9.043 -3.383 -5.496 1.00 0.00 H new ATOM 0 HA GLN B 27 8.671 -0.764 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.231 -3.465 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.057 -1.953 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.599 -2.817 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.318 -3.040 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.650 -0.946 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.772 0.503 -7.502 1.00 0.00 H new ATOM 1168 N LYS B 28 5.832 -2.470 -6.053 1.00 0.00 N ATOM 1169 CA LYS B 28 4.378 -2.337 -5.965 1.00 0.00 C ATOM 1170 C LYS B 28 4.019 -1.293 -4.911 1.00 0.00 C ATOM 1171 O LYS B 28 3.187 -0.428 -5.166 1.00 0.00 O ATOM 1172 CB LYS B 28 3.725 -3.701 -5.681 1.00 0.00 C ATOM 1173 CG LYS B 28 3.696 -4.553 -6.961 1.00 0.00 C ATOM 1174 CD LYS B 28 3.405 -6.044 -6.738 1.00 0.00 C ATOM 1175 CE LYS B 28 2.027 -6.209 -6.100 1.00 0.00 C ATOM 1176 NZ LYS B 28 1.355 -7.466 -6.480 1.00 0.00 N ATOM 0 H LYS B 28 6.167 -3.411 -5.844 1.00 0.00 H new ATOM 0 HA LYS B 28 3.985 -1.993 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.280 -4.222 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.711 -3.556 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS B 28 2.940 -4.147 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.657 -4.457 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.443 -6.578 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.169 -6.482 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.130 -6.174 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS B 28 1.398 -5.367 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.659 -7.722 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 0.870 -7.339 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.061 -8.225 -6.567 1.00 0.00 H new ATOM 1190 N ALA B 29 4.631 -1.345 -3.729 1.00 0.00 N ATOM 1191 CA ALA B 29 4.350 -0.374 -2.683 1.00 0.00 C ATOM 1192 C ALA B 29 4.750 1.025 -3.160 1.00 0.00 C ATOM 1193 O ALA B 29 3.972 1.960 -2.991 1.00 0.00 O ATOM 1194 CB ALA B 29 5.082 -0.762 -1.397 1.00 0.00 C ATOM 0 H ALA B 29 5.323 -2.050 -3.476 1.00 0.00 H new ATOM 0 HA ALA B 29 3.282 -0.365 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.865 -0.029 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.747 -1.747 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.156 -0.787 -1.583 1.00 0.00 H new ATOM 1200 N LEU B 30 5.943 1.184 -3.750 1.00 0.00 N ATOM 1201 CA LEU B 30 6.432 2.461 -4.244 1.00 0.00 C ATOM 1202 C LEU B 30 5.488 3.065 -5.277 1.00 0.00 C ATOM 1203 O LEU B 30 5.029 4.188 -5.077 1.00 0.00 O ATOM 1204 CB LEU B 30 7.835 2.308 -4.860 1.00 0.00 C ATOM 1205 CG LEU B 30 9.034 2.660 -3.967 1.00 0.00 C ATOM 1206 CD1 LEU B 30 9.037 4.130 -3.528 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.191 1.765 -2.742 1.00 0.00 C ATOM 0 H LEU B 30 6.597 0.415 -3.895 1.00 0.00 H new ATOM 0 HA LEU B 30 6.484 3.135 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.949 1.275 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.883 2.933 -5.752 1.00 0.00 H new ATOM 0 HG LEU B 30 9.893 2.479 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU B 30 9.907 4.320 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.077 4.772 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU B 30 8.129 4.343 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.061 2.083 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.299 1.840 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.325 0.731 -3.061 1.00 0.00 H new ATOM 1219 N VAL B 31 5.193 2.344 -6.360 1.00 0.00 N ATOM 1220 CA VAL B 31 4.328 2.838 -7.422 1.00 0.00 C ATOM 1221 C VAL B 31 2.959 3.263 -6.891 1.00 0.00 C ATOM 1222 O VAL B 31 2.515 4.374 -7.191 1.00 0.00 O ATOM 1223 CB VAL B 31 4.317 1.854 -8.613 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.501 0.583 -8.386 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.820 2.513 -9.900 1.00 0.00 C ATOM 0 H VAL B 31 5.549 1.402 -6.522 1.00 0.00 H new ATOM 0 HA VAL B 31 4.737 3.763 -7.827 1.00 0.00 H new ATOM 0 HB VAL B 31 5.363 1.564 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.552 -0.046 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.905 0.039 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.462 0.848 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.830 1.783 -10.710 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.804 2.878 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.472 3.348 -10.156 1.00 0.00 H new ATOM 1235 N ILE B 32 2.321 2.433 -6.063 1.00 0.00 N ATOM 1236 CA ILE B 32 1.010 2.738 -5.504 1.00 0.00 C ATOM 1237 C ILE B 32 1.104 3.953 -4.581 1.00 0.00 C ATOM 1238 O ILE B 32 0.170 4.751 -4.549 1.00 0.00 O ATOM 1239 CB ILE B 32 0.421 1.483 -4.828 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.239 0.341 -5.859 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.925 1.839 -4.183 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.074 -1.017 -5.225 1.00 0.00 C ATOM 0 H ILE B 32 2.700 1.534 -5.764 1.00 0.00 H new ATOM 0 HA ILE B 32 0.313 3.012 -6.296 1.00 0.00 H new ATOM 0 HB ILE B 32 1.111 1.136 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.567 0.607 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.148 0.253 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.344 0.954 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.776 2.619 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.612 2.197 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.188 -1.767 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.742 -1.306 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.999 -0.947 -4.653 1.00 0.00 H new ATOM 1254 N ALA B 33 2.218 4.142 -3.869 1.00 0.00 N ATOM 1255 CA ALA B 33 2.410 5.284 -2.990 1.00 0.00 C ATOM 1256 C ALA B 33 2.744 6.555 -3.794 1.00 0.00 C ATOM 1257 O ALA B 33 3.166 7.558 -3.210 1.00 0.00 O ATOM 1258 CB ALA B 33 3.513 4.979 -1.980 1.00 0.00 C ATOM 0 H ALA B 33 3.011 3.501 -3.890 1.00 0.00 H new ATOM 0 HA ALA B 33 1.479 5.469 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.653 5.838 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.232 4.110 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.443 4.771 -2.509 1.00 0.00 H new ATOM 1264 N HIS B 34 2.571 6.543 -5.121 1.00 0.00 N ATOM 1265 CA HIS B 34 2.874 7.648 -6.027 1.00 0.00 C ATOM 1266 C HIS B 34 4.375 7.965 -5.921 1.00 0.00 C ATOM 1267 O HIS B 34 4.784 9.125 -5.993 1.00 0.00 O ATOM 1268 CB HIS B 34 1.942 8.858 -5.792 1.00 0.00 C ATOM 1269 CG HIS B 34 0.457 8.562 -5.822 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.533 9.278 -5.180 1.00 0.00 N ATOM 1271 CD2 HIS B 34 -0.156 7.555 -6.516 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.715 8.729 -5.508 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.542 7.685 -6.337 1.00 0.00 N ATOM 0 H HIS B 34 2.201 5.728 -5.609 1.00 0.00 H new ATOM 0 HA HIS B 34 2.671 7.363 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.186 9.298 -4.825 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.158 9.612 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.340 6.793 -7.099 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.673 9.079 -5.154 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -2.271 7.105 -6.752 1.00 0.00 H new ATOM 1281 N ASN B 35 5.190 6.921 -5.717 1.00 0.00 N ATOM 1282 CA ASN B 35 6.644 6.886 -5.561 1.00 0.00 C ATOM 1283 C ASN B 35 7.120 7.357 -4.178 1.00 0.00 C ATOM 1284 O ASN B 35 8.318 7.480 -3.951 1.00 0.00 O ATOM 1285 CB ASN B 35 7.352 7.612 -6.714 1.00 0.00 C ATOM 1286 CG ASN B 35 8.837 7.279 -6.789 1.00 0.00 C ATOM 1287 OD1 ASN B 35 9.239 6.123 -6.659 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.683 8.266 -7.026 1.00 0.00 N ATOM 0 H ASN B 35 4.801 5.981 -5.651 1.00 0.00 H new ATOM 0 HA ASN B 35 6.935 5.837 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN B 35 6.875 7.343 -7.656 1.00 0.00 H new ATOM 0 HB3 ASN B 35 7.230 8.688 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN B 35 10.682 8.074 -7.103 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.337 9.220 -7.132 1.00 0.00 H new ATOM 1295 N ASN B 36 6.218 7.648 -3.235 1.00 0.00 N ATOM 1296 CA ASN B 36 6.598 8.096 -1.894 1.00 0.00 C ATOM 1297 C ASN B 36 7.111 6.900 -1.083 1.00 0.00 C ATOM 1298 O ASN B 36 6.319 6.069 -0.642 1.00 0.00 O ATOM 1299 CB ASN B 36 5.401 8.770 -1.214 1.00 0.00 C ATOM 1300 CG ASN B 36 5.683 9.265 0.199 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.615 8.847 0.872 1.00 0.00 O ATOM 1302 ND2 ASN B 36 4.837 10.145 0.712 1.00 0.00 N ATOM 0 H ASN B 36 5.211 7.580 -3.380 1.00 0.00 H new ATOM 0 HA ASN B 36 7.401 8.831 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.078 9.613 -1.825 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.571 8.064 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN B 36 4.962 10.475 1.669 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.060 10.493 0.150 1.00 0.00 H new ATOM 1309 N ILE B 37 8.426 6.806 -0.879 1.00 0.00 N ATOM 1310 CA ILE B 37 9.091 5.733 -0.136 1.00 0.00 C ATOM 1311 C ILE B 37 8.587 5.585 1.306 1.00 0.00 C ATOM 1312 O ILE B 37 8.459 4.467 1.794 1.00 0.00 O ATOM 1313 CB ILE B 37 10.624 5.961 -0.188 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.467 4.902 0.557 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.053 7.345 0.348 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.478 3.526 -0.111 1.00 0.00 C ATOM 0 H ILE B 37 9.081 7.500 -1.239 1.00 0.00 H new ATOM 0 HA ILE B 37 8.842 4.787 -0.618 1.00 0.00 H new ATOM 0 HB ILE B 37 10.829 5.883 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.493 5.262 0.639 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.084 4.798 1.572 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.137 7.440 0.284 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.584 8.128 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE B 37 10.741 7.445 1.388 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.092 2.842 0.475 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.460 3.141 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.890 3.613 -1.116 1.00 0.00 H new ATOM 1328 N GLU B 38 8.320 6.687 2.001 1.00 0.00 N ATOM 1329 CA GLU B 38 7.867 6.691 3.391 1.00 0.00 C ATOM 1330 C GLU B 38 6.486 6.051 3.495 1.00 0.00 C ATOM 1331 O GLU B 38 6.236 5.179 4.331 1.00 0.00 O ATOM 1332 CB GLU B 38 7.893 8.127 3.942 1.00 0.00 C ATOM 1333 CG GLU B 38 9.268 8.767 3.676 1.00 0.00 C ATOM 1334 CD GLU B 38 9.466 10.102 4.379 1.00 0.00 C ATOM 1335 OE1 GLU B 38 9.179 11.160 3.769 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.012 10.119 5.504 1.00 0.00 O ATOM 0 H GLU B 38 8.414 7.623 1.606 1.00 0.00 H new ATOM 0 HA GLU B 38 8.543 6.094 4.003 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.109 8.720 3.471 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.687 8.119 5.012 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.048 8.077 3.998 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.391 8.910 2.602 1.00 0.00 H new ATOM 1343 N MET B 39 5.603 6.475 2.601 1.00 0.00 N ATOM 1344 CA MET B 39 4.236 6.011 2.479 1.00 0.00 C ATOM 1345 C MET B 39 4.267 4.540 2.056 1.00 0.00 C ATOM 1346 O MET B 39 3.531 3.716 2.592 1.00 0.00 O ATOM 1347 CB MET B 39 3.584 6.934 1.450 1.00 0.00 C ATOM 1348 CG MET B 39 2.070 6.899 1.310 1.00 0.00 C ATOM 1349 SD MET B 39 1.467 8.392 0.457 1.00 0.00 S ATOM 1350 CE MET B 39 -0.317 8.315 0.761 1.00 0.00 C ATOM 0 H MET B 39 5.837 7.187 1.909 1.00 0.00 H new ATOM 0 HA MET B 39 3.661 6.050 3.404 1.00 0.00 H new ATOM 0 HB2 MET B 39 3.872 7.957 1.691 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.014 6.702 0.475 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.772 6.011 0.753 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.610 6.827 2.296 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.799 9.189 0.323 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.725 7.411 0.309 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.503 8.299 1.835 1.00 0.00 H new ATOM 1360 N ALA B 40 5.158 4.183 1.127 1.00 0.00 N ATOM 1361 CA ALA B 40 5.320 2.829 0.628 1.00 0.00 C ATOM 1362 C ALA B 40 5.809 1.886 1.732 1.00 0.00 C ATOM 1363 O ALA B 40 5.403 0.721 1.762 1.00 0.00 O ATOM 1364 CB ALA B 40 6.292 2.843 -0.547 1.00 0.00 C ATOM 0 H ALA B 40 5.799 4.849 0.695 1.00 0.00 H new ATOM 0 HA ALA B 40 4.353 2.456 0.292 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.418 1.829 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.897 3.480 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.256 3.230 -0.217 1.00 0.00 H new ATOM 1370 N LYS B 41 6.673 2.352 2.641 1.00 0.00 N ATOM 1371 CA LYS B 41 7.169 1.534 3.748 1.00 0.00 C ATOM 1372 C LYS B 41 5.980 1.133 4.616 1.00 0.00 C ATOM 1373 O LYS B 41 5.915 -0.013 5.056 1.00 0.00 O ATOM 1374 CB LYS B 41 8.218 2.306 4.560 1.00 0.00 C ATOM 1375 CG LYS B 41 9.605 2.255 3.910 1.00 0.00 C ATOM 1376 CD LYS B 41 10.482 3.406 4.412 1.00 0.00 C ATOM 1377 CE LYS B 41 11.922 3.253 3.918 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.694 2.298 4.737 1.00 0.00 N ATOM 0 H LYS B 41 7.045 3.302 2.629 1.00 0.00 H new ATOM 0 HA LYS B 41 7.657 0.638 3.365 1.00 0.00 H new ATOM 0 HB2 LYS B 41 7.904 3.345 4.662 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.274 1.890 5.566 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.083 1.302 4.136 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.506 2.313 2.826 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.074 4.356 4.067 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.468 3.430 5.502 1.00 0.00 H new ATOM 0 HE2 LYS B 41 11.915 2.917 2.881 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.415 4.225 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.663 2.226 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.724 2.631 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.240 1.363 4.701 1.00 0.00 H new ATOM 1392 N ASN B 42 5.032 2.053 4.841 1.00 0.00 N ATOM 1393 CA ASN B 42 3.841 1.767 5.634 1.00 0.00 C ATOM 1394 C ASN B 42 3.027 0.668 4.950 1.00 0.00 C ATOM 1395 O ASN B 42 2.516 -0.204 5.648 1.00 0.00 O ATOM 1396 CB ASN B 42 2.967 3.015 5.854 1.00 0.00 C ATOM 1397 CG ASN B 42 3.459 3.932 6.963 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.026 3.485 7.959 1.00 0.00 O ATOM 1399 ND2 ASN B 42 3.194 5.222 6.846 1.00 0.00 N ATOM 0 H ASN B 42 5.073 3.006 4.480 1.00 0.00 H new ATOM 0 HA ASN B 42 4.170 1.433 6.618 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.920 3.581 4.924 1.00 0.00 H new ATOM 0 HB3 ASN B 42 1.950 2.697 6.085 1.00 0.00 H new ATOM 0 HD21 ASN B 42 3.461 5.867 7.590 1.00 0.00 H new ATOM 0 HD22 ASN B 42 2.723 5.572 6.012 1.00 0.00 H new ATOM 1406 N ILE B 43 2.903 0.689 3.613 1.00 0.00 N ATOM 1407 CA ILE B 43 2.155 -0.323 2.857 1.00 0.00 C ATOM 1408 C ILE B 43 2.759 -1.698 3.154 1.00 0.00 C ATOM 1409 O ILE B 43 2.054 -2.601 3.607 1.00 0.00 O ATOM 1410 CB ILE B 43 2.120 -0.017 1.333 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.483 1.358 1.055 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.326 -1.093 0.603 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.466 1.783 -0.412 1.00 0.00 C ATOM 0 H ILE B 43 3.321 1.411 3.026 1.00 0.00 H new ATOM 0 HA ILE B 43 1.113 -0.309 3.177 1.00 0.00 H new ATOM 0 HB ILE B 43 3.148 -0.005 0.972 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.458 1.347 1.425 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.021 2.112 1.629 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.307 -0.870 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.796 -2.063 0.763 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.306 -1.116 0.987 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.998 2.763 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.488 1.833 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.900 1.056 -0.995 1.00 0.00 H new ATOM 1425 N LEU B 44 4.067 -1.840 2.916 1.00 0.00 N ATOM 1426 CA LEU B 44 4.788 -3.087 3.144 1.00 0.00 C ATOM 1427 C LEU B 44 4.614 -3.562 4.579 1.00 0.00 C ATOM 1428 O LEU B 44 4.272 -4.717 4.789 1.00 0.00 O ATOM 1429 CB LEU B 44 6.286 -2.924 2.846 1.00 0.00 C ATOM 1430 CG LEU B 44 6.646 -2.780 1.363 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.160 -2.612 1.252 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.219 -3.985 0.520 1.00 0.00 C ATOM 0 H LEU B 44 4.654 -1.087 2.558 1.00 0.00 H new ATOM 0 HA LEU B 44 4.369 -3.830 2.466 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.652 -2.047 3.379 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.816 -3.787 3.250 1.00 0.00 H new ATOM 0 HG LEU B 44 6.109 -1.914 0.976 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.439 -2.508 0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.468 -1.722 1.800 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.655 -3.487 1.674 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.502 -3.821 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.712 -4.883 0.893 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.138 -4.110 0.586 1.00 0.00 H new ATOM 1444 N ARG B 45 4.824 -2.688 5.561 1.00 0.00 N ATOM 1445 CA ARG B 45 4.702 -3.039 6.968 1.00 0.00 C ATOM 1446 C ARG B 45 3.296 -3.501 7.356 1.00 0.00 C ATOM 1447 O ARG B 45 3.167 -4.446 8.140 1.00 0.00 O ATOM 1448 CB ARG B 45 5.174 -1.832 7.800 1.00 0.00 C ATOM 1449 CG ARG B 45 4.826 -1.961 9.287 1.00 0.00 C ATOM 1450 CD ARG B 45 5.519 -0.904 10.158 1.00 0.00 C ATOM 1451 NE ARG B 45 6.918 -1.244 10.468 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.333 -2.188 11.325 1.00 0.00 C ATOM 1453 NH1 ARG B 45 6.471 -3.016 11.912 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.631 -2.291 11.577 1.00 0.00 N ATOM 0 H ARG B 45 5.084 -1.715 5.400 1.00 0.00 H new ATOM 0 HA ARG B 45 5.334 -3.903 7.175 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.253 -1.723 7.693 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.720 -0.924 7.403 1.00 0.00 H new ATOM 0 HG2 ARG B 45 3.746 -1.875 9.411 1.00 0.00 H new ATOM 0 HG3 ARG B 45 5.109 -2.954 9.636 1.00 0.00 H new ATOM 0 HD2 ARG B 45 5.489 0.058 9.646 1.00 0.00 H new ATOM 0 HD3 ARG B 45 4.964 -0.787 11.089 1.00 0.00 H new ATOM 0 HE ARG B 45 7.640 -0.710 9.985 1.00 0.00 H new ATOM 0 HH11 ARG B 45 5.474 -2.939 11.713 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.808 -3.727 12.561 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.290 -1.660 11.122 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.970 -3.002 12.226 1.00 0.00 H new ATOM 1468 N GLU B 46 2.243 -2.853 6.863 1.00 0.00 N ATOM 1469 CA GLU B 46 0.872 -3.204 7.219 1.00 0.00 C ATOM 1470 C GLU B 46 0.283 -4.412 6.490 1.00 0.00 C ATOM 1471 O GLU B 46 -0.530 -5.116 7.096 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.042 -1.994 6.988 1.00 0.00 C ATOM 1473 CG GLU B 46 0.119 -0.918 8.077 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.399 -1.345 9.455 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -1.161 -2.332 9.570 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -0.033 -0.660 10.435 1.00 0.00 O ATOM 0 H GLU B 46 2.316 -2.074 6.209 1.00 0.00 H new ATOM 0 HA GLU B 46 0.922 -3.492 8.269 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.178 -1.557 6.014 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.080 -2.326 6.961 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.174 -0.656 8.162 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.409 -0.017 7.765 1.00 0.00 H new ATOM 1483 N PHE B 47 0.672 -4.682 5.243 1.00 0.00 N ATOM 1484 CA PHE B 47 0.127 -5.800 4.473 1.00 0.00 C ATOM 1485 C PHE B 47 1.116 -6.952 4.314 1.00 0.00 C ATOM 1486 O PHE B 47 0.744 -8.109 4.518 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.323 -5.284 3.100 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.608 -4.470 3.111 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.617 -3.107 3.481 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.802 -5.069 2.669 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.832 -2.400 3.525 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.015 -4.365 2.716 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.032 -3.037 3.168 1.00 0.00 C ATOM 0 H PHE B 47 1.371 -4.134 4.741 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.722 -6.204 5.025 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.474 -4.671 2.679 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.456 -6.136 2.433 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.692 -2.608 3.730 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.785 -6.080 2.290 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.842 -1.365 3.834 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.932 -4.844 2.405 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.968 -2.504 3.242 1.00 0.00 H new ATOM 1503 N SER B 48 2.331 -6.659 3.866 1.00 0.00 N ATOM 1504 CA SER B 48 3.399 -7.621 3.646 1.00 0.00 C ATOM 1505 C SER B 48 4.173 -7.889 4.946 1.00 0.00 C ATOM 1506 O SER B 48 3.873 -7.327 6.003 1.00 0.00 O ATOM 1507 CB SER B 48 4.282 -7.059 2.522 1.00 0.00 C ATOM 1508 OG SER B 48 3.654 -7.262 1.279 1.00 0.00 O ATOM 0 H SER B 48 2.608 -5.704 3.637 1.00 0.00 H new ATOM 0 HA SER B 48 3.007 -8.592 3.344 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.458 -5.995 2.682 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.256 -7.548 2.532 1.00 0.00 H new ATOM 0 HG SER B 48 3.491 -6.396 0.849 1.00 0.00 H new ATOM 1514 N GLY B 49 5.192 -8.746 4.890 1.00 0.00 N ATOM 1515 CA GLY B 49 6.012 -9.091 6.038 1.00 0.00 C ATOM 1516 C GLY B 49 7.274 -9.843 5.616 1.00 0.00 C ATOM 1517 O GLY B 49 7.482 -10.067 4.418 1.00 0.00 O ATOM 0 H GLY B 49 5.470 -9.223 4.033 1.00 0.00 H new ATOM 0 HA2 GLY B 49 6.290 -8.184 6.575 1.00 0.00 H new ATOM 0 HA3 GLY B 49 5.434 -9.706 6.728 1.00 0.00 H new ATOM 1521 N PRO B 50 8.134 -10.195 6.586 1.00 0.00 N ATOM 1522 CA PRO B 50 9.375 -10.918 6.342 1.00 0.00 C ATOM 1523 C PRO B 50 9.105 -12.338 5.825 1.00 0.00 C ATOM 1524 O PRO B 50 7.977 -12.831 5.878 1.00 0.00 O ATOM 1525 CB PRO B 50 10.099 -10.923 7.697 1.00 0.00 C ATOM 1526 CG PRO B 50 8.975 -10.825 8.722 1.00 0.00 C ATOM 1527 CD PRO B 50 7.944 -9.955 8.010 1.00 0.00 C ATOM 0 HA PRO B 50 9.980 -10.448 5.567 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.684 -11.833 7.833 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.790 -10.084 7.782 1.00 0.00 H new ATOM 0 HG2 PRO B 50 8.572 -11.805 8.975 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.315 -10.370 9.653 1.00 0.00 H new ATOM 0 HD2 PRO B 50 6.932 -10.217 8.319 1.00 0.00 H new ATOM 0 HD3 PRO B 50 8.088 -8.902 8.251 1.00 0.00 H new ATOM 1535 N SER B 51 10.163 -13.014 5.381 1.00 0.00 N ATOM 1536 CA SER B 51 10.129 -14.372 4.853 1.00 0.00 C ATOM 1537 C SER B 51 11.120 -15.307 5.564 1.00 0.00 C ATOM 1538 O SER B 51 10.934 -16.527 5.574 1.00 0.00 O ATOM 1539 CB SER B 51 10.301 -14.305 3.331 1.00 0.00 C ATOM 1540 OG SER B 51 11.342 -13.445 2.889 1.00 0.00 O ATOM 0 H SER B 51 11.101 -12.614 5.380 1.00 0.00 H new ATOM 0 HA SER B 51 9.161 -14.827 5.061 1.00 0.00 H new ATOM 0 HB2 SER B 51 10.495 -15.310 2.956 1.00 0.00 H new ATOM 0 HB3 SER B 51 9.362 -13.975 2.887 1.00 0.00 H new ATOM 0 HG SER B 51 11.386 -13.461 1.910 1.00 0.00 H new ATOM 1546 N SER B 52 12.157 -14.756 6.197 1.00 0.00 N ATOM 1547 CA SER B 52 13.175 -15.490 6.936 1.00 0.00 C ATOM 1548 C SER B 52 13.770 -14.569 8.007 1.00 0.00 C ATOM 1549 O SER B 52 13.406 -13.386 8.108 1.00 0.00 O ATOM 1550 CB SER B 52 14.226 -16.038 5.961 1.00 0.00 C ATOM 1551 OG SER B 52 15.111 -16.918 6.624 1.00 0.00 O ATOM 0 H SER B 52 12.313 -13.748 6.207 1.00 0.00 H new ATOM 0 HA SER B 52 12.744 -16.351 7.447 1.00 0.00 H new ATOM 0 HB2 SER B 52 13.732 -16.560 5.142 1.00 0.00 H new ATOM 0 HB3 SER B 52 14.787 -15.213 5.521 1.00 0.00 H new ATOM 0 HG SER B 52 15.773 -17.258 5.986 1.00 0.00 H new ATOM 1557 N GLY B 53 14.717 -15.082 8.787 1.00 0.00 N ATOM 1558 CA GLY B 53 15.377 -14.360 9.863 1.00 0.00 C ATOM 1559 C GLY B 53 14.545 -14.441 11.127 1.00 0.00 C ATOM 1560 O GLY B 53 15.002 -13.879 12.142 1.00 0.00 O ATOM 0 H GLY B 53 15.054 -16.039 8.683 1.00 0.00 H new ATOM 0 HA2 GLY B 53 16.366 -14.781 10.041 1.00 0.00 H new ATOM 0 HA3 GLY B 53 15.521 -13.318 9.578 1.00 0.00 H new TER 1564 GLY B 53