USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 64 GLN :FLIP amide:sc= 0.798 F(o=0.91,f=1.5) USER MOD Set 1.2: A 145 TYR OH : rot 180:sc= 0.718 USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 134 HIS : no HD1:sc= -0.75 X(o=-0.75,f=-0.58) USER MOD Set 4.1: A 96 HIS :FLIP no HE2:sc= 0.0644 F(o=-1.2,f=-0.035) USER MOD Set 4.2: A 98 TYR OH : rot 180:sc= -0.099 USER MOD Set 5.1: A 83 THR OG1 : rot 180:sc= 0.49 USER MOD Set 5.2: A 133 SER OG : rot 82:sc= 0.597 USER MOD Set 6.1: A 1 HIS :FLIP no HD1:sc= 0 F(o=0.29,f=0.91) USER MOD Set 6.2: A 34 SER OG : rot 89:sc= 0.915 USER MOD Set 7.1: A 33 GLN : amide:sc= -0.264 K(o=0.88,f=0.15) USER MOD Set 7.2: A 86 TYR OH : rot -29:sc= 1.15 USER MOD Single : A 1 HIS N :NH3+ -112:sc= 0.0614 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0751 USER MOD Single : A 15 SER OG : rot 53:sc= 1.22 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 27 SER OG : rot -36:sc= 0.173 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.617 (180deg=-1.2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.059) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0565 X(o=-0.057,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 65 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.15) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0979 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 161:sc= -0.0302 (180deg=-0.597) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0.667 K(o=0.67,f=-2.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 92 THR OG1 : rot -95:sc= 0.483 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 94 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.973 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0.425 (180deg=0.361) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -114:sc= 0.639 (180deg=-0.00705) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-0.9) USER MOD Single : A 126 SER OG : rot -52:sc= 1.01 USER MOD Single : A 129 SER OG : rot 91:sc= 1.01 USER MOD Single : A 131 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.58) USER MOD Single : A 137 TYR OH : rot 178:sc= 0.634 USER MOD Single : A 146 HIS : no HE2:sc= 0.219 K(o=0.22,f=-5!) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= 0.174 K(o=0.17,f=-2) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.7) USER MOD Single : A 171 ASN : amide:sc= 0.0214 K(o=0.021,f=-2.2!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.897 0.907 -0.140 1.00 25.00 N ATOM 2 CA HIS A 1 0.296 1.409 -0.910 1.00 25.00 C ATOM 3 C HIS A 1 -0.137 1.819 -2.316 1.00 25.00 C ATOM 4 O HIS A 1 -1.204 1.434 -2.858 1.00 25.00 O ATOM 5 CB HIS A 1 1.425 0.404 -0.938 1.00 0.00 C ATOM 6 CG HIS A 1 2.238 0.449 0.318 1.00 0.00 C ATOM 7 ND1 HIS A 1 3.293 1.256 0.669 1.00 0.00 N flip ATOM 8 CD2 HIS A 1 1.886 -0.309 1.419 1.00 0.00 C flip ATOM 9 CE1 HIS A 1 3.711 1.006 1.944 1.00 0.00 C flip ATOM 10 NE2 HIS A 1 2.819 0.040 2.372 1.00 0.00 N flip ATOM 0 H1 HIS A 1 -1.122 1.574 0.626 1.00 25.00 H new ATOM 0 H2 HIS A 1 -1.714 0.826 -0.779 1.00 25.00 H new ATOM 0 H3 HIS A 1 -0.681 -0.026 0.266 1.00 25.00 H new ATOM 0 HA HIS A 1 0.691 2.285 -0.396 1.00 25.00 H new ATOM 0 HB2 HIS A 1 1.017 -0.598 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.068 0.603 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.070 -1.011 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.533 1.452 2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.848 -0.375 3.303 1.00 0.00 H new ATOM 17 N GLY A 2 0.765 2.535 -2.948 1.00 25.00 N ATOM 18 CA GLY A 2 0.624 3.181 -4.213 1.00 25.00 C ATOM 19 C GLY A 2 1.807 4.021 -4.692 1.00 25.00 C ATOM 20 O GLY A 2 2.731 4.213 -3.890 1.00 25.00 O ATOM 0 H GLY A 2 1.691 2.687 -2.548 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.423 2.417 -4.964 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.255 3.825 -4.170 1.00 25.00 H new ATOM 24 N PHE A 3 1.794 4.549 -5.924 1.00 25.00 N ATOM 25 CA PHE A 3 2.881 5.334 -6.543 1.00 25.00 C ATOM 26 C PHE A 3 2.394 6.326 -7.562 1.00 25.00 C ATOM 27 O PHE A 3 1.209 6.215 -7.969 1.00 25.00 O ATOM 28 CB PHE A 3 3.849 4.382 -7.226 1.00 25.00 C ATOM 29 CG PHE A 3 3.236 3.345 -8.147 1.00 25.00 C ATOM 30 CD1 PHE A 3 3.339 3.500 -9.512 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.715 2.182 -7.630 1.00 50.00 C ATOM 32 CE1 PHE A 3 3.006 2.485 -10.400 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.274 1.146 -8.449 1.00 25.00 C ATOM 34 CZ PHE A 3 2.434 1.230 -9.848 1.00 25.00 C ATOM 0 H PHE A 3 0.993 4.438 -6.546 1.00 25.00 H new ATOM 0 HA PHE A 3 3.360 5.897 -5.742 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.561 4.973 -7.802 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.418 3.861 -6.455 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.691 4.443 -9.905 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.646 2.069 -6.558 1.00 50.00 H new ATOM 0 HE1 PHE A 3 3.159 2.605 -11.462 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.808 0.275 -8.012 1.00 25.00 H new ATOM 0 HZ PHE A 3 2.151 0.412 -10.494 1.00 25.00 H new ATOM 44 N ILE A 4 3.213 7.284 -7.947 1.00 25.00 N ATOM 45 CA ILE A 4 2.830 8.359 -8.859 1.00 25.00 C ATOM 46 C ILE A 4 2.781 7.770 -10.280 1.00 25.00 C ATOM 47 O ILE A 4 3.708 7.067 -10.707 1.00 25.00 O ATOM 48 CB ILE A 4 3.751 9.602 -8.784 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.840 10.198 -7.333 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.196 10.697 -9.758 1.00 25.00 C ATOM 51 CD1 ILE A 4 4.850 11.232 -7.151 1.00 25.00 C ATOM 0 H ILE A 4 4.182 7.344 -7.633 1.00 25.00 H new ATOM 0 HA ILE A 4 1.851 8.734 -8.562 1.00 25.00 H new ATOM 0 HB ILE A 4 4.756 9.292 -9.070 1.00 25.00 H new ATOM 0 HG12 ILE A 4 2.867 10.611 -7.066 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.044 9.386 -6.635 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.835 11.579 -9.716 1.00 25.00 H new ATOM 0 HG22 ILE A 4 3.183 10.306 -10.775 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.183 10.968 -9.461 1.00 25.00 H new ATOM 0 HD11 ILE A 4 4.833 11.579 -6.118 1.00 25.00 H new ATOM 0 HD12 ILE A 4 5.834 10.824 -7.381 1.00 25.00 H new ATOM 0 HD13 ILE A 4 4.639 12.068 -7.818 1.00 25.00 H new ATOM 63 N GLU A 5 1.709 8.117 -11.023 1.00 25.00 N ATOM 64 CA GLU A 5 1.539 7.592 -12.373 1.00 25.00 C ATOM 65 C GLU A 5 1.775 8.627 -13.455 1.00 25.00 C ATOM 66 O GLU A 5 2.373 8.352 -14.477 1.00 25.00 O ATOM 67 CB GLU A 5 0.125 7.013 -12.618 1.00 25.00 C ATOM 68 CG GLU A 5 0.127 6.065 -13.792 1.00 25.00 C ATOM 69 CD GLU A 5 -1.072 5.170 -13.808 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.204 5.547 -13.724 1.00 25.00 O ATOM 71 OE2 GLU A 5 -0.801 3.994 -14.019 1.00 25.00 O1- ATOM 0 H GLU A 5 0.969 8.745 -10.710 1.00 25.00 H new ATOM 0 HA GLU A 5 2.292 6.807 -12.436 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.218 6.491 -11.725 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.578 7.825 -12.803 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.160 6.639 -14.718 1.00 25.00 H new ATOM 0 HG3 GLU A 5 1.031 5.456 -13.762 1.00 25.00 H new ATOM 78 N LYS A 6 1.366 9.856 -13.160 1.00 25.00 N ATOM 79 CA LYS A 6 1.488 11.026 -14.032 1.00 25.00 C ATOM 80 C LYS A 6 1.658 12.240 -13.111 1.00 25.00 C ATOM 81 O LYS A 6 1.088 12.243 -11.958 1.00 25.00 O ATOM 82 CB LYS A 6 0.200 11.212 -14.885 1.00 25.00 C ATOM 83 CG LYS A 6 -0.233 10.054 -15.730 1.00 25.00 C ATOM 84 CD LYS A 6 -1.264 10.379 -16.774 1.00 25.00 C ATOM 85 CE LYS A 6 -1.784 8.991 -17.207 1.00 25.00 C ATOM 86 NZ LYS A 6 -2.903 9.078 -18.127 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.921 10.077 -12.269 1.00 25.00 H new ATOM 0 HA LYS A 6 2.330 10.908 -14.714 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -0.619 11.463 -14.211 1.00 25.00 H new ATOM 0 HB3 LYS A 6 0.349 12.071 -15.539 1.00 25.00 H new ATOM 0 HG2 LYS A 6 0.644 9.637 -16.225 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -0.631 9.277 -15.078 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -2.064 11.000 -16.370 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -0.830 10.925 -17.612 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -0.974 8.434 -17.677 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -2.087 8.429 -16.324 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -3.214 8.120 -18.387 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -3.688 9.586 -17.672 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -2.610 9.591 -18.983 1.00 25.00 H new ATOM 100 N PRO A 7 2.224 13.337 -13.681 1.00 25.00 N ATOM 101 CA PRO A 7 2.792 13.604 -15.043 1.00 25.00 C ATOM 102 C PRO A 7 4.065 12.852 -15.276 1.00 25.00 C ATOM 103 O PRO A 7 4.920 12.743 -14.423 1.00 25.00 O ATOM 104 CB PRO A 7 3.007 15.154 -14.942 1.00 25.00 C ATOM 105 CG PRO A 7 3.075 15.488 -13.476 1.00 25.00 C ATOM 106 CD PRO A 7 2.140 14.547 -12.832 1.00 25.00 C ATOM 0 HA PRO A 7 2.169 13.289 -15.880 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.925 15.451 -15.449 1.00 25.00 H new ATOM 0 HB3 PRO A 7 2.189 15.690 -15.423 1.00 25.00 H new ATOM 0 HG2 PRO A 7 4.087 15.367 -13.089 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.785 16.522 -13.292 1.00 25.00 H new ATOM 0 HD2 PRO A 7 2.430 14.335 -11.803 1.00 25.00 H new ATOM 0 HD3 PRO A 7 1.126 14.946 -12.802 1.00 25.00 H new ATOM 114 N GLY A 8 4.209 12.455 -16.520 1.00 25.00 N ATOM 115 CA GLY A 8 5.505 12.042 -17.062 1.00 25.00 C ATOM 116 C GLY A 8 5.851 10.607 -16.671 1.00 25.00 C ATOM 117 O GLY A 8 5.028 9.921 -16.101 1.00 25.00 O ATOM 0 H GLY A 8 3.442 12.406 -17.190 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.489 12.129 -18.148 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.282 12.715 -16.699 1.00 25.00 H new ATOM 121 N SER A 9 7.100 10.155 -16.913 1.00 25.00 N ATOM 122 CA SER A 9 7.679 8.871 -16.454 1.00 25.00 C ATOM 123 C SER A 9 9.099 9.144 -16.067 1.00 25.00 C ATOM 124 O SER A 9 9.919 9.672 -16.826 1.00 25.00 O ATOM 125 CB SER A 9 7.679 7.981 -17.677 1.00 25.00 C ATOM 126 OG SER A 9 8.299 6.786 -17.330 1.00 25.00 O ATOM 0 H SER A 9 7.766 10.701 -17.460 1.00 25.00 H new ATOM 0 HA SER A 9 7.138 8.424 -15.620 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.660 7.798 -18.017 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.208 8.462 -18.500 1.00 25.00 H new ATOM 0 HG SER A 9 8.312 6.187 -18.106 1.00 25.00 H new ATOM 132 N ARG A 10 9.372 8.841 -14.830 1.00 25.00 N ATOM 133 CA ARG A 10 10.704 9.126 -14.367 1.00 25.00 C ATOM 134 C ARG A 10 11.565 7.960 -14.716 1.00 25.00 C ATOM 135 O ARG A 10 12.820 8.062 -14.702 1.00 25.00 O ATOM 136 CB ARG A 10 10.748 9.331 -12.858 1.00 25.00 C ATOM 137 CG ARG A 10 11.172 10.761 -12.585 1.00 25.00 C ATOM 138 CD ARG A 10 12.681 10.934 -12.657 1.00 25.00 C ATOM 139 NE ARG A 10 13.137 12.303 -12.503 1.00 25.00 N ATOM 140 CZ ARG A 10 14.367 12.714 -12.203 1.00 25.00 C ATOM 141 NH1 ARG A 10 14.608 13.950 -12.025 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 15.387 11.851 -11.901 1.00 25.00 N ATOM 0 H ARG A 10 8.733 8.420 -14.155 1.00 25.00 H new ATOM 0 HA ARG A 10 11.051 10.045 -14.839 1.00 25.00 H new ATOM 0 HB2 ARG A 10 9.770 9.134 -12.419 1.00 25.00 H new ATOM 0 HB3 ARG A 10 11.449 8.633 -12.400 1.00 25.00 H new ATOM 0 HG2 ARG A 10 10.697 11.424 -13.308 1.00 25.00 H new ATOM 0 HG3 ARG A 10 10.820 11.061 -11.598 1.00 25.00 H new ATOM 0 HD2 ARG A 10 13.142 10.321 -11.882 1.00 25.00 H new ATOM 0 HD3 ARG A 10 13.033 10.553 -13.616 1.00 25.00 H new ATOM 0 HE ARG A 10 12.437 13.032 -12.640 1.00 25.00 H new ATOM 0 HH11 ARG A 10 13.856 14.634 -12.112 1.00 25.00 H new ATOM 0 HH12 ARG A 10 15.553 14.257 -11.795 1.00 25.00 H new ATOM 0 HH21 ARG A 10 15.220 10.845 -11.900 1.00 25.00 H new ATOM 0 HH22 ARG A 10 16.313 12.215 -11.677 1.00 25.00 H new ATOM 156 N ALA A 11 10.937 6.858 -15.014 1.00 25.00 N ATOM 157 CA ALA A 11 11.674 5.648 -15.412 1.00 25.00 C ATOM 158 C ALA A 11 12.262 5.809 -16.792 1.00 25.00 C ATOM 159 O ALA A 11 13.377 5.353 -17.123 1.00 25.00 O ATOM 160 CB ALA A 11 10.701 4.439 -15.343 1.00 25.00 C ATOM 0 H ALA A 11 9.923 6.752 -14.995 1.00 25.00 H new ATOM 0 HA ALA A 11 12.509 5.477 -14.733 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.228 3.531 -15.635 1.00 25.00 H new ATOM 0 HB2 ALA A 11 10.327 4.331 -14.325 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.864 4.606 -16.021 1.00 25.00 H new ATOM 166 N ALA A 12 11.482 6.517 -17.608 1.00 25.00 N ATOM 167 CA ALA A 12 11.915 6.909 -18.993 1.00 25.00 C ATOM 168 C ALA A 12 13.155 7.824 -18.972 1.00 25.00 C ATOM 169 O ALA A 12 14.157 7.632 -19.708 1.00 25.00 O ATOM 170 CB ALA A 12 10.782 7.618 -19.719 1.00 25.00 C ATOM 0 H ALA A 12 10.548 6.840 -17.357 1.00 25.00 H new ATOM 0 HA ALA A 12 12.177 5.991 -19.519 1.00 25.00 H new ATOM 0 HB1 ALA A 12 11.110 7.896 -20.721 1.00 25.00 H new ATOM 0 HB2 ALA A 12 9.922 6.952 -19.790 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.501 8.515 -19.167 1.00 25.00 H new ATOM 176 N LEU A 13 13.131 8.709 -17.997 1.00 25.00 N ATOM 177 CA LEU A 13 14.286 9.566 -17.814 1.00 25.00 C ATOM 178 C LEU A 13 15.578 8.836 -17.400 1.00 25.00 C ATOM 179 O LEU A 13 16.715 9.187 -17.804 1.00 25.00 O ATOM 180 CB LEU A 13 13.955 10.650 -16.758 1.00 25.00 C ATOM 181 CG LEU A 13 13.200 11.825 -17.291 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.863 12.697 -16.135 1.00 75.00 C ATOM 183 CD2 LEU A 13 14.089 12.654 -18.251 1.00 75.00 C ATOM 0 H LEU A 13 12.361 8.852 -17.344 1.00 25.00 H new ATOM 0 HA LEU A 13 14.490 10.000 -18.793 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.373 10.193 -15.957 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.886 11.003 -16.314 1.00 25.00 H new ATOM 0 HG LEU A 13 12.316 11.477 -17.825 1.00 25.00 H new ATOM 0 HD11 LEU A 13 12.310 13.568 -16.486 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.251 12.140 -15.425 1.00 75.00 H new ATOM 0 HD13 LEU A 13 13.781 13.023 -15.645 1.00 75.00 H new ATOM 0 HD21 LEU A 13 13.522 13.505 -18.629 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.968 13.013 -17.715 1.00 75.00 H new ATOM 0 HD23 LEU A 13 14.404 12.029 -19.086 1.00 75.00 H new ATOM 195 N CYS A 14 15.391 7.824 -16.561 1.00 25.00 N ATOM 196 CA CYS A 14 16.525 7.009 -16.102 1.00 25.00 C ATOM 197 C CYS A 14 17.103 6.099 -17.209 1.00 25.00 C ATOM 198 O CYS A 14 18.231 5.597 -17.066 1.00 25.00 O ATOM 199 CB CYS A 14 16.035 6.171 -14.917 1.00 25.00 C ATOM 200 SG CYS A 14 17.302 5.286 -13.909 1.00 25.00 S ATOM 0 H CYS A 14 14.484 7.546 -16.186 1.00 25.00 H new ATOM 0 HA CYS A 14 17.341 7.671 -15.812 1.00 25.00 H new ATOM 0 HB2 CYS A 14 15.475 6.828 -14.251 1.00 25.00 H new ATOM 0 HB3 CYS A 14 15.332 5.430 -15.298 1.00 25.00 H new ATOM 205 N SER A 15 16.333 5.895 -18.286 1.00 25.00 N ATOM 206 CA SER A 15 16.591 4.928 -19.291 1.00 25.00 C ATOM 207 C SER A 15 17.614 5.535 -20.209 1.00 25.00 C ATOM 208 O SER A 15 17.838 6.754 -20.224 1.00 25.00 O ATOM 209 CB SER A 15 15.332 4.617 -20.157 1.00 25.00 C ATOM 210 OG SER A 15 14.293 4.068 -19.314 1.00 25.00 O ATOM 0 H SER A 15 15.486 6.435 -18.462 1.00 25.00 H new ATOM 0 HA SER A 15 16.913 4.003 -18.813 1.00 25.00 H new ATOM 0 HB2 SER A 15 14.978 5.526 -20.644 1.00 25.00 H new ATOM 0 HB3 SER A 15 15.586 3.910 -20.947 1.00 25.00 H new ATOM 0 HG SER A 15 14.143 4.663 -18.550 1.00 25.00 H new ATOM 216 N GLU A 16 18.175 4.735 -21.089 1.00 25.00 N ATOM 217 CA GLU A 16 19.325 5.148 -21.929 1.00 25.00 C ATOM 218 C GLU A 16 18.964 6.233 -22.972 1.00 25.00 C ATOM 219 O GLU A 16 19.833 6.838 -23.598 1.00 25.00 O ATOM 220 CB GLU A 16 19.979 3.923 -22.640 1.00 25.00 C ATOM 221 CG GLU A 16 20.581 2.950 -21.585 1.00 25.00 C ATOM 222 CD GLU A 16 21.180 1.675 -22.285 1.00 25.00 C ATOM 223 OE1 GLU A 16 20.986 1.441 -23.498 1.00 25.00 O ATOM 224 OE2 GLU A 16 21.982 1.028 -21.642 1.00 25.00 O1- ATOM 0 H GLU A 16 17.863 3.779 -21.257 1.00 25.00 H new ATOM 0 HA GLU A 16 20.045 5.591 -21.241 1.00 25.00 H new ATOM 0 HB2 GLU A 16 19.235 3.403 -23.243 1.00 25.00 H new ATOM 0 HB3 GLU A 16 20.760 4.262 -23.321 1.00 25.00 H new ATOM 0 HG2 GLU A 16 21.359 3.458 -21.016 1.00 25.00 H new ATOM 0 HG3 GLU A 16 19.810 2.653 -20.875 1.00 25.00 H new ATOM 231 N ALA A 17 17.698 6.547 -23.108 1.00 25.00 N ATOM 232 CA ALA A 17 17.201 7.564 -24.023 1.00 25.00 C ATOM 233 C ALA A 17 17.511 8.984 -23.491 1.00 25.00 C ATOM 234 O ALA A 17 17.296 9.979 -24.169 1.00 25.00 O ATOM 235 CB ALA A 17 15.731 7.377 -24.188 1.00 25.00 C ATOM 0 H ALA A 17 16.958 6.093 -22.573 1.00 25.00 H new ATOM 0 HA ALA A 17 17.698 7.460 -24.987 1.00 25.00 H new ATOM 0 HB1 ALA A 17 15.343 8.132 -24.871 1.00 25.00 H new ATOM 0 HB2 ALA A 17 15.534 6.385 -24.593 1.00 25.00 H new ATOM 0 HB3 ALA A 17 15.241 7.477 -23.220 1.00 25.00 H new ATOM 241 N PHE A 18 18.006 9.038 -22.274 1.00 25.00 N ATOM 242 CA PHE A 18 18.490 10.328 -21.694 1.00 25.00 C ATOM 243 C PHE A 18 19.463 10.900 -22.729 1.00 25.00 C ATOM 244 O PHE A 18 19.363 12.088 -23.145 1.00 25.00 O ATOM 245 CB PHE A 18 19.150 10.039 -20.362 1.00 25.00 C ATOM 246 CG PHE A 18 19.584 11.283 -19.556 1.00 25.00 C ATOM 247 CD1 PHE A 18 20.823 11.852 -19.759 1.00 50.00 C ATOM 248 CD2 PHE A 18 18.716 11.897 -18.554 1.00 50.00 C ATOM 249 CE1 PHE A 18 21.297 12.910 -18.990 1.00 25.00 C ATOM 250 CE2 PHE A 18 19.140 13.023 -17.900 1.00 25.00 C ATOM 251 CZ PHE A 18 20.383 13.536 -18.095 1.00 25.00 C ATOM 0 H PHE A 18 18.095 8.233 -21.654 1.00 25.00 H new ATOM 0 HA PHE A 18 17.697 11.050 -21.498 1.00 25.00 H new ATOM 0 HB2 PHE A 18 18.461 9.454 -19.753 1.00 25.00 H new ATOM 0 HB3 PHE A 18 20.027 9.416 -20.537 1.00 25.00 H new ATOM 0 HD1 PHE A 18 21.451 11.461 -20.546 1.00 50.00 H new ATOM 0 HD2 PHE A 18 17.750 11.468 -18.331 1.00 50.00 H new ATOM 0 HE1 PHE A 18 22.321 13.244 -19.069 1.00 25.00 H new ATOM 0 HE2 PHE A 18 18.469 13.516 -17.212 1.00 25.00 H new ATOM 0 HZ PHE A 18 20.681 14.429 -17.565 1.00 25.00 H new ATOM 261 N GLY A 19 20.252 10.011 -23.303 1.00 25.00 N ATOM 262 CA GLY A 19 21.083 10.336 -24.480 1.00 25.00 C ATOM 263 C GLY A 19 21.326 9.034 -25.178 1.00 25.00 C ATOM 264 O GLY A 19 20.716 8.692 -26.183 1.00 25.00 O ATOM 0 H GLY A 19 20.345 9.048 -22.981 1.00 25.00 H new ATOM 0 HA2 GLY A 19 20.574 11.042 -25.136 1.00 25.00 H new ATOM 0 HA3 GLY A 19 22.022 10.800 -24.180 1.00 25.00 H new ATOM 268 N PHE A 20 22.221 8.249 -24.549 1.00 25.00 N ATOM 269 CA PHE A 20 22.657 6.871 -24.946 1.00 25.00 C ATOM 270 C PHE A 20 23.586 6.278 -23.835 1.00 25.00 C ATOM 271 O PHE A 20 23.595 5.051 -23.493 1.00 25.00 O ATOM 272 CB PHE A 20 23.397 6.851 -26.235 1.00 25.00 C ATOM 273 CG PHE A 20 23.739 5.453 -26.772 1.00 25.00 C ATOM 274 CD1 PHE A 20 22.722 4.740 -27.418 1.00 50.00 C ATOM 275 CD2 PHE A 20 25.059 4.972 -26.709 1.00 50.00 C ATOM 276 CE1 PHE A 20 23.023 3.508 -27.985 1.00 25.00 C ATOM 277 CE2 PHE A 20 25.301 3.657 -27.234 1.00 25.00 C ATOM 278 CZ PHE A 20 24.319 2.959 -27.873 1.00 25.00 C ATOM 0 H PHE A 20 22.693 8.565 -23.702 1.00 25.00 H new ATOM 0 HA PHE A 20 21.752 6.275 -25.068 1.00 25.00 H new ATOM 0 HB2 PHE A 20 22.804 7.375 -26.984 1.00 25.00 H new ATOM 0 HB3 PHE A 20 24.323 7.412 -26.112 1.00 25.00 H new ATOM 0 HD1 PHE A 20 21.721 5.141 -27.475 1.00 50.00 H new ATOM 0 HD2 PHE A 20 25.856 5.565 -26.285 1.00 50.00 H new ATOM 0 HE1 PHE A 20 22.257 2.964 -28.518 1.00 25.00 H new ATOM 0 HE2 PHE A 20 26.279 3.213 -27.121 1.00 25.00 H new ATOM 0 HZ PHE A 20 24.532 1.987 -28.293 1.00 25.00 H new ATOM 288 N LEU A 21 24.341 7.150 -23.210 1.00 25.00 N ATOM 289 CA LEU A 21 25.224 6.737 -22.119 1.00 25.00 C ATOM 290 C LEU A 21 25.202 7.331 -20.714 1.00 25.00 C ATOM 291 O LEU A 21 25.703 6.746 -19.769 1.00 25.00 O ATOM 292 CB LEU A 21 26.686 6.952 -22.546 1.00 25.00 C ATOM 293 CG LEU A 21 27.249 6.173 -23.713 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.704 6.724 -23.944 1.00 50.00 C ATOM 295 CD2 LEU A 21 27.339 4.650 -23.451 1.00 50.00 C ATOM 0 H LEU A 21 24.370 8.146 -23.428 1.00 25.00 H new ATOM 0 HA LEU A 21 24.813 5.735 -21.993 1.00 25.00 H new ATOM 0 HB2 LEU A 21 26.806 8.011 -22.774 1.00 25.00 H new ATOM 0 HB3 LEU A 21 27.313 6.739 -21.680 1.00 25.00 H new ATOM 0 HG LEU A 21 26.589 6.301 -24.571 1.00 25.00 H new ATOM 0 HD11 LEU A 21 29.164 6.196 -24.779 1.00 50.00 H new ATOM 0 HD12 LEU A 21 28.658 7.790 -24.169 1.00 50.00 H new ATOM 0 HD13 LEU A 21 29.299 6.568 -23.044 1.00 50.00 H new ATOM 0 HD21 LEU A 21 27.751 4.153 -24.329 1.00 50.00 H new ATOM 0 HD22 LEU A 21 27.986 4.466 -22.593 1.00 50.00 H new ATOM 0 HD23 LEU A 21 26.343 4.257 -23.246 1.00 50.00 H new ATOM 307 N ASN A 22 24.601 8.493 -20.572 1.00 25.00 N ATOM 308 CA ASN A 22 24.669 9.251 -19.339 1.00 25.00 C ATOM 309 C ASN A 22 23.269 9.260 -18.694 1.00 25.00 C ATOM 310 O ASN A 22 22.317 8.982 -19.384 1.00 25.00 O ATOM 311 CB ASN A 22 25.244 10.651 -19.587 1.00 25.00 C ATOM 312 CG ASN A 22 26.570 10.599 -20.378 1.00 25.00 C ATOM 313 OD1 ASN A 22 27.554 10.047 -19.951 1.00 25.00 O ATOM 314 ND2 ASN A 22 26.640 11.362 -21.423 1.00 25.00 N ATOM 0 H ASN A 22 24.052 8.939 -21.307 1.00 25.00 H new ATOM 0 HA ASN A 22 25.357 8.782 -18.635 1.00 25.00 H new ATOM 0 HB2 ASN A 22 24.517 11.250 -20.136 1.00 25.00 H new ATOM 0 HB3 ASN A 22 25.411 11.149 -18.632 1.00 25.00 H new ATOM 0 HD21 ASN A 22 27.534 11.501 -21.894 1.00 25.00 H new ATOM 0 HD22 ASN A 22 25.801 11.823 -21.775 1.00 25.00 H new ATOM 321 N LEU A 23 23.169 9.620 -17.442 1.00 25.00 N ATOM 322 CA LEU A 23 21.885 9.591 -16.776 1.00 25.00 C ATOM 323 C LEU A 23 21.917 10.377 -15.481 1.00 25.00 C ATOM 324 O LEU A 23 23.006 10.763 -14.998 1.00 25.00 O ATOM 325 CB LEU A 23 21.472 8.157 -16.487 1.00 25.00 C ATOM 326 CG LEU A 23 22.198 7.360 -15.419 1.00 25.00 C ATOM 327 CD1 LEU A 23 21.385 6.058 -15.093 1.00 50.00 C ATOM 328 CD2 LEU A 23 23.599 6.827 -15.818 1.00 50.00 C ATOM 0 H LEU A 23 23.949 9.934 -16.864 1.00 25.00 H new ATOM 0 HA LEU A 23 21.158 10.053 -17.443 1.00 25.00 H new ATOM 0 HB2 LEU A 23 20.416 8.171 -16.219 1.00 25.00 H new ATOM 0 HB3 LEU A 23 21.556 7.601 -17.421 1.00 25.00 H new ATOM 0 HG LEU A 23 22.300 8.068 -14.596 1.00 25.00 H new ATOM 0 HD11 LEU A 23 21.907 5.486 -14.326 1.00 50.00 H new ATOM 0 HD12 LEU A 23 20.393 6.329 -14.732 1.00 50.00 H new ATOM 0 HD13 LEU A 23 21.290 5.453 -15.995 1.00 50.00 H new ATOM 0 HD21 LEU A 23 24.029 6.273 -14.984 1.00 50.00 H new ATOM 0 HD22 LEU A 23 23.505 6.168 -16.681 1.00 50.00 H new ATOM 0 HD23 LEU A 23 24.249 7.665 -16.070 1.00 50.00 H new ATOM 340 N ASN A 24 20.749 10.594 -14.887 1.00 25.00 N ATOM 341 CA ASN A 24 20.589 11.418 -13.667 1.00 25.00 C ATOM 342 C ASN A 24 19.347 10.902 -12.958 1.00 25.00 C ATOM 343 O ASN A 24 18.337 11.610 -12.837 1.00 25.00 O ATOM 344 CB ASN A 24 20.415 12.906 -14.071 1.00 25.00 C ATOM 345 CG ASN A 24 20.705 13.840 -12.907 1.00 25.00 C ATOM 346 OD1 ASN A 24 20.730 13.458 -11.731 1.00 25.00 O ATOM 347 ND2 ASN A 24 20.861 15.108 -13.211 1.00 25.00 N ATOM 0 H ASN A 24 19.871 10.205 -15.232 1.00 25.00 H new ATOM 0 HA ASN A 24 21.458 11.351 -13.013 1.00 25.00 H new ATOM 0 HB2 ASN A 24 21.083 13.139 -14.900 1.00 25.00 H new ATOM 0 HB3 ASN A 24 19.398 13.071 -14.426 1.00 25.00 H new ATOM 0 HD21 ASN A 24 21.006 15.796 -12.472 1.00 25.00 H new ATOM 0 HD22 ASN A 24 20.838 15.405 -14.186 1.00 25.00 H new ATOM 354 N CYS A 25 19.337 9.601 -12.662 1.00 25.00 N ATOM 355 CA CYS A 25 18.177 8.857 -12.378 1.00 25.00 C ATOM 356 C CYS A 25 17.462 9.262 -11.094 1.00 25.00 C ATOM 357 O CYS A 25 16.223 9.173 -11.080 1.00 25.00 O ATOM 358 CB CYS A 25 18.614 7.390 -12.194 1.00 25.00 C ATOM 359 SG CYS A 25 17.299 6.122 -12.079 1.00 25.00 S ATOM 0 H CYS A 25 20.190 9.043 -12.620 1.00 25.00 H new ATOM 0 HA CYS A 25 17.484 9.027 -13.202 1.00 25.00 H new ATOM 0 HB2 CYS A 25 19.263 7.126 -13.029 1.00 25.00 H new ATOM 0 HB3 CYS A 25 19.218 7.330 -11.289 1.00 25.00 H new ATOM 364 N GLY A 26 18.188 9.723 -10.097 1.00 25.00 N ATOM 365 CA GLY A 26 17.537 10.139 -8.870 1.00 25.00 C ATOM 366 C GLY A 26 16.880 8.984 -8.058 1.00 25.00 C ATOM 367 O GLY A 26 15.762 9.084 -7.581 1.00 25.00 O ATOM 0 H GLY A 26 19.203 9.818 -10.108 1.00 25.00 H new ATOM 0 HA2 GLY A 26 18.270 10.638 -8.237 1.00 25.00 H new ATOM 0 HA3 GLY A 26 16.771 10.876 -9.113 1.00 25.00 H new ATOM 371 N SER A 27 17.641 7.892 -8.072 1.00 25.00 N ATOM 372 CA SER A 27 17.249 6.557 -7.619 1.00 25.00 C ATOM 373 C SER A 27 16.667 6.481 -6.146 1.00 25.00 C ATOM 374 O SER A 27 16.045 5.454 -5.774 1.00 25.00 O ATOM 375 CB SER A 27 18.366 5.557 -7.709 1.00 25.00 C ATOM 376 OG SER A 27 18.847 5.606 -9.034 1.00 25.00 O ATOM 0 H SER A 27 18.600 7.915 -8.418 1.00 25.00 H new ATOM 0 HA SER A 27 16.447 6.310 -8.315 1.00 25.00 H new ATOM 0 HB2 SER A 27 19.159 5.797 -7.000 1.00 25.00 H new ATOM 0 HB3 SER A 27 18.011 4.556 -7.463 1.00 25.00 H new ATOM 0 HG SER A 27 18.099 5.758 -9.648 1.00 25.00 H new ATOM 382 N VAL A 28 16.646 7.580 -5.410 1.00 25.00 N ATOM 383 CA VAL A 28 15.958 7.811 -4.075 1.00 25.00 C ATOM 384 C VAL A 28 14.429 7.683 -4.309 1.00 25.00 C ATOM 385 O VAL A 28 13.630 7.396 -3.406 1.00 25.00 O ATOM 386 CB VAL A 28 16.330 9.193 -3.422 1.00 25.00 C ATOM 387 CG1 VAL A 28 15.751 10.426 -4.249 1.00 50.00 C ATOM 388 CG2 VAL A 28 15.958 9.303 -1.899 1.00 50.00 C ATOM 0 H VAL A 28 17.136 8.419 -5.721 1.00 25.00 H new ATOM 0 HA VAL A 28 16.302 7.063 -3.361 1.00 25.00 H new ATOM 0 HB VAL A 28 17.418 9.238 -3.468 1.00 25.00 H new ATOM 0 HG11 VAL A 28 16.034 11.358 -3.759 1.00 50.00 H new ATOM 0 HG12 VAL A 28 16.158 10.409 -5.260 1.00 50.00 H new ATOM 0 HG13 VAL A 28 14.664 10.355 -4.294 1.00 50.00 H new ATOM 0 HG21 VAL A 28 16.247 10.285 -1.524 1.00 50.00 H new ATOM 0 HG22 VAL A 28 14.883 9.169 -1.776 1.00 50.00 H new ATOM 0 HG23 VAL A 28 16.486 8.531 -1.339 1.00 50.00 H new ATOM 398 N MET A 29 14.045 7.765 -5.564 1.00 25.00 N ATOM 399 CA MET A 29 12.602 7.696 -5.914 1.00 25.00 C ATOM 400 C MET A 29 11.934 6.349 -5.859 1.00 25.00 C ATOM 401 O MET A 29 10.971 6.149 -6.637 1.00 25.00 O ATOM 402 CB MET A 29 12.548 8.193 -7.328 1.00 25.00 C ATOM 403 CG MET A 29 13.174 7.254 -8.413 1.00 25.00 C ATOM 404 SD MET A 29 13.323 7.988 -10.071 1.00 25.00 S ATOM 405 CE MET A 29 13.740 6.569 -11.034 1.00 25.00 C ATOM 0 H MET A 29 14.677 7.877 -6.357 1.00 25.00 H new ATOM 0 HA MET A 29 12.056 8.272 -5.167 1.00 25.00 H new ATOM 0 HB2 MET A 29 11.505 8.371 -7.589 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.057 9.156 -7.373 1.00 25.00 H new ATOM 0 HG2 MET A 29 14.165 6.946 -8.078 1.00 25.00 H new ATOM 0 HG3 MET A 29 12.567 6.351 -8.485 1.00 25.00 H new ATOM 0 HE1 MET A 29 13.864 6.861 -12.077 1.00 25.00 H new ATOM 0 HE2 MET A 29 14.671 6.139 -10.664 1.00 25.00 H new ATOM 0 HE3 MET A 29 12.943 5.830 -10.957 1.00 25.00 H new ATOM 415 N TYR A 30 12.397 5.412 -5.092 1.00 25.00 N ATOM 416 CA TYR A 30 11.755 4.087 -5.107 1.00 25.00 C ATOM 417 C TYR A 30 10.280 4.106 -4.615 1.00 25.00 C ATOM 418 O TYR A 30 9.475 3.485 -5.241 1.00 25.00 O ATOM 419 CB TYR A 30 12.591 3.200 -4.168 1.00 25.00 C ATOM 420 CG TYR A 30 12.089 1.795 -4.060 1.00 25.00 C ATOM 421 CD1 TYR A 30 12.281 0.876 -5.127 1.00 50.00 C ATOM 422 CD2 TYR A 30 11.511 1.335 -2.894 1.00 50.00 C ATOM 423 CE1 TYR A 30 11.752 -0.458 -5.042 1.00 25.00 C ATOM 424 CE2 TYR A 30 10.937 0.067 -2.843 1.00 25.00 C ATOM 425 CZ TYR A 30 11.073 -0.822 -3.903 1.00 25.00 C ATOM 426 OH TYR A 30 10.562 -2.081 -3.874 1.00 25.00 O ATOM 0 H TYR A 30 13.190 5.509 -4.458 1.00 25.00 H new ATOM 0 HA TYR A 30 11.721 3.720 -6.133 1.00 25.00 H new ATOM 0 HB2 TYR A 30 13.622 3.182 -4.523 1.00 25.00 H new ATOM 0 HB3 TYR A 30 12.604 3.649 -3.175 1.00 25.00 H new ATOM 0 HD1 TYR A 30 12.828 1.182 -6.007 1.00 50.00 H new ATOM 0 HD2 TYR A 30 11.504 1.963 -2.015 1.00 50.00 H new ATOM 0 HE1 TYR A 30 11.885 -1.158 -5.854 1.00 25.00 H new ATOM 0 HE2 TYR A 30 10.378 -0.230 -1.968 1.00 25.00 H new ATOM 0 HH TYR A 30 10.104 -2.229 -3.020 1.00 25.00 H new ATOM 436 N GLU A 31 10.035 4.723 -3.445 1.00 25.00 N ATOM 437 CA GLU A 31 8.688 4.765 -2.748 1.00 25.00 C ATOM 438 C GLU A 31 8.240 6.098 -2.176 1.00 25.00 C ATOM 439 O GLU A 31 7.683 6.179 -1.084 1.00 25.00 O ATOM 440 CB GLU A 31 8.663 3.674 -1.670 1.00 25.00 C ATOM 441 CG GLU A 31 9.704 3.802 -0.526 1.00 25.00 C ATOM 442 CD GLU A 31 9.539 2.715 0.513 1.00 25.00 C ATOM 443 OE1 GLU A 31 10.559 2.020 0.776 1.00 25.00 O ATOM 444 OE2 GLU A 31 8.427 2.479 1.050 1.00 25.00 O1- ATOM 0 H GLU A 31 10.762 5.221 -2.930 1.00 25.00 H new ATOM 0 HA GLU A 31 7.956 4.588 -3.536 1.00 25.00 H new ATOM 0 HB2 GLU A 31 7.668 3.658 -1.225 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.810 2.710 -2.158 1.00 25.00 H new ATOM 0 HG2 GLU A 31 10.710 3.755 -0.944 1.00 25.00 H new ATOM 0 HG3 GLU A 31 9.602 4.777 -0.050 1.00 25.00 H new ATOM 451 N PRO A 32 8.431 7.237 -2.922 1.00 25.00 N ATOM 452 CA PRO A 32 8.143 8.386 -2.099 1.00 25.00 C ATOM 453 C PRO A 32 6.711 8.766 -1.886 1.00 25.00 C ATOM 454 O PRO A 32 6.395 9.604 -0.996 1.00 25.00 O ATOM 455 CB PRO A 32 8.782 9.515 -2.918 1.00 25.00 C ATOM 456 CG PRO A 32 8.821 8.989 -4.319 1.00 25.00 C ATOM 457 CD PRO A 32 9.072 7.576 -4.222 1.00 25.00 C ATOM 0 HA PRO A 32 8.500 8.183 -1.089 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.196 10.432 -2.855 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.782 9.751 -2.555 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.878 9.180 -4.831 1.00 25.00 H new ATOM 0 HG3 PRO A 32 9.603 9.482 -4.896 1.00 25.00 H new ATOM 0 HD2 PRO A 32 8.629 7.025 -5.051 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.138 7.350 -4.223 1.00 25.00 H new ATOM 465 N GLN A 33 5.833 8.240 -2.698 1.00 25.00 N ATOM 466 CA GLN A 33 4.406 8.577 -2.602 1.00 25.00 C ATOM 467 C GLN A 33 3.862 7.915 -1.341 1.00 25.00 C ATOM 468 O GLN A 33 3.156 8.506 -0.572 1.00 25.00 O ATOM 469 CB GLN A 33 3.560 8.138 -3.814 1.00 25.00 C ATOM 470 CG GLN A 33 2.168 8.695 -3.986 1.00 25.00 C ATOM 471 CD GLN A 33 1.113 8.032 -3.170 1.00 25.00 C ATOM 472 OE1 GLN A 33 0.960 6.817 -3.132 1.00 25.00 O ATOM 473 NE2 GLN A 33 0.425 8.819 -2.412 1.00 25.00 N ATOM 0 H GLN A 33 6.063 7.576 -3.437 1.00 25.00 H new ATOM 0 HA GLN A 33 4.331 9.664 -2.574 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.124 8.384 -4.713 1.00 25.00 H new ATOM 0 HB3 GLN A 33 3.476 7.052 -3.778 1.00 25.00 H new ATOM 0 HG2 GLN A 33 2.185 9.756 -3.736 1.00 25.00 H new ATOM 0 HG3 GLN A 33 1.892 8.620 -5.038 1.00 25.00 H new ATOM 0 HE21 GLN A 33 0.569 9.828 -2.460 1.00 25.00 H new ATOM 0 HE22 GLN A 33 -0.262 8.432 -1.765 1.00 25.00 H new ATOM 482 N SER A 34 4.348 6.718 -1.135 1.00 25.00 N ATOM 483 CA SER A 34 4.105 5.881 0.031 1.00 25.00 C ATOM 484 C SER A 34 5.031 6.215 1.186 1.00 25.00 C ATOM 485 O SER A 34 5.808 5.344 1.675 1.00 25.00 O ATOM 486 CB SER A 34 4.330 4.411 -0.408 1.00 25.00 C ATOM 487 OG SER A 34 3.226 4.009 -1.206 1.00 25.00 O ATOM 0 H SER A 34 4.962 6.267 -1.813 1.00 25.00 H new ATOM 0 HA SER A 34 3.089 6.050 0.387 1.00 25.00 H new ATOM 0 HB2 SER A 34 5.259 4.321 -0.972 1.00 25.00 H new ATOM 0 HB3 SER A 34 4.423 3.764 0.465 1.00 25.00 H new ATOM 0 HG SER A 34 3.402 4.232 -2.144 1.00 25.00 H new ATOM 493 N LEU A 35 5.083 7.501 1.541 1.00 25.00 N ATOM 494 CA LEU A 35 5.787 7.967 2.776 1.00 25.00 C ATOM 495 C LEU A 35 4.827 7.891 3.922 1.00 25.00 C ATOM 496 O LEU A 35 3.798 8.526 3.946 1.00 25.00 O ATOM 497 CB LEU A 35 6.394 9.384 2.581 1.00 25.00 C ATOM 498 CG LEU A 35 7.222 9.892 3.745 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.442 8.991 3.915 1.00 50.00 C ATOM 500 CD2 LEU A 35 7.582 11.337 3.524 1.00 50.00 C ATOM 0 H LEU A 35 4.651 8.251 1.002 1.00 25.00 H new ATOM 0 HA LEU A 35 6.636 7.320 2.994 1.00 25.00 H new ATOM 0 HB2 LEU A 35 7.018 9.376 1.687 1.00 25.00 H new ATOM 0 HB3 LEU A 35 5.583 10.088 2.397 1.00 25.00 H new ATOM 0 HG LEU A 35 6.653 9.852 4.674 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.044 9.348 4.750 1.00 50.00 H new ATOM 0 HD12 LEU A 35 8.116 7.970 4.113 1.00 50.00 H new ATOM 0 HD13 LEU A 35 9.039 9.010 3.003 1.00 50.00 H new ATOM 0 HD21 LEU A 35 8.177 11.696 4.364 1.00 50.00 H new ATOM 0 HD22 LEU A 35 8.159 11.432 2.604 1.00 50.00 H new ATOM 0 HD23 LEU A 35 6.671 11.931 3.444 1.00 50.00 H new ATOM 512 N GLU A 36 5.113 6.962 4.830 1.00 25.00 N ATOM 513 CA GLU A 36 4.161 6.682 5.915 1.00 25.00 C ATOM 514 C GLU A 36 4.260 7.762 7.016 1.00 25.00 C ATOM 515 O GLU A 36 5.211 8.494 7.185 1.00 25.00 O ATOM 516 CB GLU A 36 4.379 5.299 6.550 1.00 25.00 C ATOM 517 CG GLU A 36 4.269 4.176 5.615 1.00 25.00 C ATOM 518 CD GLU A 36 4.430 2.807 6.374 1.00 25.00 C ATOM 519 OE1 GLU A 36 5.083 2.703 7.426 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.950 1.822 5.755 1.00 25.00 O1- ATOM 0 H GLU A 36 5.966 6.403 4.844 1.00 25.00 H new ATOM 0 HA GLU A 36 3.169 6.694 5.464 1.00 25.00 H new ATOM 0 HB2 GLU A 36 5.367 5.276 7.010 1.00 25.00 H new ATOM 0 HB3 GLU A 36 3.651 5.162 7.350 1.00 25.00 H new ATOM 0 HG2 GLU A 36 3.303 4.208 5.112 1.00 25.00 H new ATOM 0 HG3 GLU A 36 5.033 4.262 4.843 1.00 25.00 H new ATOM 527 N ALA A 37 3.175 7.784 7.818 1.00 25.00 N ATOM 528 CA ALA A 37 3.011 8.638 8.974 1.00 25.00 C ATOM 529 C ALA A 37 2.493 7.678 10.118 1.00 25.00 C ATOM 530 O ALA A 37 1.734 6.734 9.785 1.00 25.00 O ATOM 531 CB ALA A 37 2.128 9.807 8.626 1.00 25.00 C ATOM 0 H ALA A 37 2.370 7.179 7.658 1.00 25.00 H new ATOM 0 HA ALA A 37 3.925 9.119 9.324 1.00 25.00 H new ATOM 0 HB1 ALA A 37 2.009 10.446 9.501 1.00 25.00 H new ATOM 0 HB2 ALA A 37 2.584 10.379 7.818 1.00 25.00 H new ATOM 0 HB3 ALA A 37 1.151 9.443 8.307 1.00 25.00 H new ATOM 537 N LYS A 38 2.889 7.900 11.349 1.00 25.00 N ATOM 538 CA LYS A 38 2.480 7.018 12.405 1.00 25.00 C ATOM 539 C LYS A 38 2.072 7.900 13.560 1.00 25.00 C ATOM 540 O LYS A 38 2.678 8.917 13.814 1.00 25.00 O ATOM 541 CB LYS A 38 3.693 6.094 12.776 1.00 25.00 C ATOM 542 CG LYS A 38 3.341 4.928 13.665 1.00 25.00 C ATOM 543 CD LYS A 38 4.534 4.133 14.163 1.00 25.00 C ATOM 544 CE LYS A 38 4.171 2.873 14.929 1.00 25.00 C ATOM 545 NZ LYS A 38 3.896 1.694 14.069 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.486 8.675 11.637 1.00 25.00 H new ATOM 0 HA LYS A 38 1.647 6.373 12.124 1.00 25.00 H new ATOM 0 HB2 LYS A 38 4.138 5.713 11.857 1.00 25.00 H new ATOM 0 HB3 LYS A 38 4.454 6.696 13.272 1.00 25.00 H new ATOM 0 HG2 LYS A 38 2.783 5.299 14.525 1.00 25.00 H new ATOM 0 HG3 LYS A 38 2.677 4.258 13.119 1.00 25.00 H new ATOM 0 HD2 LYS A 38 5.155 3.859 13.310 1.00 25.00 H new ATOM 0 HD3 LYS A 38 5.139 4.773 14.805 1.00 25.00 H new ATOM 0 HE2 LYS A 38 4.986 2.629 15.611 1.00 25.00 H new ATOM 0 HE3 LYS A 38 3.292 3.074 15.541 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 3.656 0.877 14.666 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 3.099 1.905 13.435 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 4.740 1.473 13.502 1.00 25.00 H new ATOM 559 N LYS A 39 1.088 7.517 14.356 1.00 25.00 N ATOM 560 CA LYS A 39 0.706 8.250 15.521 1.00 25.00 C ATOM 561 C LYS A 39 1.547 7.661 16.637 1.00 25.00 C ATOM 562 O LYS A 39 1.853 6.495 16.569 1.00 25.00 O ATOM 563 CB LYS A 39 -0.777 8.119 15.819 1.00 25.00 C ATOM 564 CG LYS A 39 -1.655 9.131 15.059 1.00 25.00 C ATOM 565 CD LYS A 39 -3.087 9.079 15.433 1.00 25.00 C ATOM 566 CE LYS A 39 -3.886 10.039 14.591 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.352 10.083 15.113 1.00 25.00 N1+ ATOM 0 H LYS A 39 0.533 6.676 14.197 1.00 25.00 H new ATOM 0 HA LYS A 39 0.874 9.320 15.395 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -1.101 7.109 15.567 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -0.936 8.246 16.890 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -1.277 10.137 15.244 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -1.562 8.947 13.989 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -3.467 8.066 15.300 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -3.203 9.328 16.488 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -3.443 11.034 14.633 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -3.869 9.726 13.547 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -6.005 9.868 14.333 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -5.472 9.379 15.869 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -5.559 11.031 15.486 1.00 25.00 H new ATOM 581 N GLY A 40 1.978 8.420 17.607 1.00 25.00 N ATOM 582 CA GLY A 40 2.896 7.885 18.613 1.00 25.00 C ATOM 583 C GLY A 40 4.235 7.776 17.947 1.00 25.00 C ATOM 584 O GLY A 40 4.567 8.516 17.065 1.00 25.00 O ATOM 0 H GLY A 40 1.721 9.399 17.734 1.00 25.00 H new ATOM 0 HA2 GLY A 40 2.946 8.542 19.482 1.00 25.00 H new ATOM 0 HA3 GLY A 40 2.558 6.911 18.969 1.00 25.00 H new ATOM 588 N PHE A 41 5.044 6.843 18.406 1.00 25.00 N ATOM 589 CA PHE A 41 6.382 6.608 17.930 1.00 25.00 C ATOM 590 C PHE A 41 6.420 5.094 17.796 1.00 25.00 C ATOM 591 O PHE A 41 5.584 4.377 18.385 1.00 25.00 O ATOM 592 CB PHE A 41 7.226 7.140 19.096 1.00 25.00 C ATOM 593 CG PHE A 41 7.364 8.666 19.133 1.00 25.00 C ATOM 594 CD1 PHE A 41 8.247 9.284 18.274 1.00 25.00 C ATOM 595 CD2 PHE A 41 6.515 9.418 19.927 1.00 25.00 C ATOM 596 CE1 PHE A 41 8.389 10.714 18.239 1.00 25.00 C ATOM 597 CE2 PHE A 41 6.591 10.791 19.874 1.00 25.00 C ATOM 598 CZ PHE A 41 7.556 11.449 19.134 1.00 25.00 C ATOM 0 H PHE A 41 4.771 6.204 19.152 1.00 25.00 H new ATOM 0 HA PHE A 41 6.713 7.061 16.995 1.00 25.00 H new ATOM 0 HB2 PHE A 41 6.781 6.805 20.033 1.00 25.00 H new ATOM 0 HB3 PHE A 41 8.221 6.699 19.039 1.00 25.00 H new ATOM 0 HD1 PHE A 41 8.847 8.679 17.611 1.00 25.00 H new ATOM 0 HD2 PHE A 41 5.803 8.934 20.579 1.00 25.00 H new ATOM 0 HE1 PHE A 41 9.085 11.203 17.574 1.00 25.00 H new ATOM 0 HE2 PHE A 41 5.872 11.375 20.430 1.00 25.00 H new ATOM 0 HZ PHE A 41 7.679 12.517 19.233 1.00 25.00 H new ATOM 608 N PRO A 42 7.481 4.518 17.215 1.00 25.00 N ATOM 609 CA PRO A 42 8.675 5.171 16.603 1.00 25.00 C ATOM 610 C PRO A 42 8.353 5.743 15.230 1.00 25.00 C ATOM 611 O PRO A 42 7.235 5.692 14.782 1.00 25.00 O ATOM 612 CB PRO A 42 9.689 3.972 16.537 1.00 25.00 C ATOM 613 CG PRO A 42 8.894 2.778 16.238 1.00 25.00 C ATOM 614 CD PRO A 42 7.612 3.044 17.006 1.00 25.00 C ATOM 0 HA PRO A 42 9.056 6.028 17.158 1.00 25.00 H new ATOM 0 HB2 PRO A 42 10.442 4.141 15.767 1.00 25.00 H new ATOM 0 HB3 PRO A 42 10.220 3.859 17.482 1.00 25.00 H new ATOM 0 HG2 PRO A 42 8.712 2.667 15.169 1.00 25.00 H new ATOM 0 HG3 PRO A 42 9.388 1.866 16.574 1.00 25.00 H new ATOM 0 HD2 PRO A 42 6.753 2.662 16.454 1.00 25.00 H new ATOM 0 HD3 PRO A 42 7.630 2.526 17.965 1.00 25.00 H new ATOM 622 N HIS A 43 9.338 6.323 14.556 1.00 25.00 N ATOM 623 CA HIS A 43 9.228 6.818 13.171 1.00 25.00 C ATOM 624 C HIS A 43 10.282 6.164 12.252 1.00 25.00 C ATOM 625 O HIS A 43 10.209 6.385 11.041 1.00 25.00 O ATOM 626 CB HIS A 43 9.310 8.359 13.184 1.00 25.00 C ATOM 627 CG HIS A 43 8.147 9.019 13.796 1.00 25.00 C ATOM 628 ND1 HIS A 43 6.902 8.862 13.249 1.00 25.00 N ATOM 629 CD2 HIS A 43 7.945 9.717 14.932 1.00 25.00 C ATOM 630 CE1 HIS A 43 6.013 9.474 13.989 1.00 25.00 C ATOM 631 NE2 HIS A 43 6.623 9.961 15.045 1.00 25.00 N ATOM 0 H HIS A 43 10.263 6.471 14.959 1.00 25.00 H new ATOM 0 HA HIS A 43 8.263 6.533 12.752 1.00 25.00 H new ATOM 0 HB2 HIS A 43 10.209 8.659 13.722 1.00 25.00 H new ATOM 0 HB3 HIS A 43 9.418 8.715 12.159 1.00 25.00 H new ATOM 0 HD2 HIS A 43 8.709 10.027 15.630 1.00 25.00 H new ATOM 0 HE1 HIS A 43 4.959 9.563 13.769 1.00 25.00 H new ATOM 0 HE2 HIS A 43 6.172 10.444 15.822 1.00 25.00 H new ATOM 639 N SER A 44 11.323 5.557 12.833 1.00 25.00 N ATOM 640 CA SER A 44 12.518 5.029 12.172 1.00 25.00 C ATOM 641 C SER A 44 13.389 6.192 11.659 1.00 25.00 C ATOM 642 O SER A 44 14.578 6.356 12.136 1.00 25.00 O ATOM 643 CB SER A 44 12.143 3.984 11.031 1.00 25.00 C ATOM 644 OG SER A 44 13.189 3.090 10.811 1.00 25.00 O ATOM 0 H SER A 44 11.353 5.413 13.842 1.00 25.00 H new ATOM 0 HA SER A 44 13.109 4.471 12.899 1.00 25.00 H new ATOM 0 HB2 SER A 44 11.245 3.436 11.315 1.00 25.00 H new ATOM 0 HB3 SER A 44 11.913 4.515 10.107 1.00 25.00 H new ATOM 0 HG SER A 44 12.935 2.457 10.107 1.00 25.00 H new ATOM 650 N GLY A 45 12.874 7.027 10.758 1.00 25.00 N ATOM 651 CA GLY A 45 13.554 8.287 10.376 1.00 25.00 C ATOM 652 C GLY A 45 13.503 9.303 11.487 1.00 25.00 C ATOM 653 O GLY A 45 13.186 9.057 12.674 1.00 25.00 O ATOM 0 H GLY A 45 11.991 6.864 10.274 1.00 25.00 H new ATOM 0 HA2 GLY A 45 14.593 8.078 10.121 1.00 25.00 H new ATOM 0 HA3 GLY A 45 13.083 8.699 9.483 1.00 25.00 H new ATOM 657 N PRO A 46 13.768 10.552 11.132 1.00 25.00 N ATOM 658 CA PRO A 46 13.651 11.650 12.108 1.00 25.00 C ATOM 659 C PRO A 46 12.205 12.041 12.428 1.00 25.00 C ATOM 660 O PRO A 46 11.331 11.494 11.737 1.00 25.00 O ATOM 661 CB PRO A 46 14.297 12.839 11.345 1.00 25.00 C ATOM 662 CG PRO A 46 14.074 12.519 9.896 1.00 25.00 C ATOM 663 CD PRO A 46 14.227 11.025 9.817 1.00 25.00 C ATOM 0 HA PRO A 46 14.103 11.372 13.060 1.00 25.00 H new ATOM 0 HB2 PRO A 46 13.832 13.786 11.619 1.00 25.00 H new ATOM 0 HB3 PRO A 46 15.359 12.927 11.573 1.00 25.00 H new ATOM 0 HG2 PRO A 46 13.084 12.835 9.567 1.00 25.00 H new ATOM 0 HG3 PRO A 46 14.799 13.027 9.260 1.00 25.00 H new ATOM 0 HD2 PRO A 46 13.628 10.604 9.010 1.00 25.00 H new ATOM 0 HD3 PRO A 46 15.262 10.739 9.628 1.00 25.00 H new ATOM 671 N ALA A 47 11.967 12.793 13.496 1.00 25.00 N ATOM 672 CA ALA A 47 10.590 13.073 13.962 1.00 25.00 C ATOM 673 C ALA A 47 9.692 13.745 12.894 1.00 25.00 C ATOM 674 O ALA A 47 10.104 14.653 12.177 1.00 25.00 O ATOM 675 CB ALA A 47 10.600 13.873 15.261 1.00 25.00 C ATOM 0 H ALA A 47 12.698 13.224 14.062 1.00 25.00 H new ATOM 0 HA ALA A 47 10.139 12.100 14.155 1.00 25.00 H new ATOM 0 HB1 ALA A 47 9.575 14.064 15.579 1.00 25.00 H new ATOM 0 HB2 ALA A 47 11.120 13.306 16.033 1.00 25.00 H new ATOM 0 HB3 ALA A 47 11.112 14.822 15.100 1.00 25.00 H new ATOM 681 N ASP A 48 8.496 13.225 12.827 1.00 25.00 N ATOM 682 CA ASP A 48 7.427 13.779 11.998 1.00 25.00 C ATOM 683 C ASP A 48 6.377 13.837 13.063 1.00 25.00 C ATOM 684 O ASP A 48 6.621 13.324 14.179 1.00 25.00 O ATOM 685 CB ASP A 48 7.023 12.790 10.857 1.00 25.00 C ATOM 686 CG ASP A 48 5.762 13.202 10.097 1.00 25.00 C ATOM 687 OD1 ASP A 48 5.511 14.433 10.006 1.00 25.00 O ATOM 688 OD2 ASP A 48 4.898 12.386 9.759 1.00 25.00 O1- ATOM 0 H ASP A 48 8.220 12.393 13.349 1.00 25.00 H new ATOM 0 HA ASP A 48 7.646 14.709 11.473 1.00 25.00 H new ATOM 0 HB2 ASP A 48 7.850 12.708 10.152 1.00 25.00 H new ATOM 0 HB3 ASP A 48 6.870 11.800 11.286 1.00 25.00 H new ATOM 693 N GLY A 49 5.178 14.329 12.765 1.00 25.00 N ATOM 694 CA GLY A 49 4.124 14.406 13.777 1.00 25.00 C ATOM 695 C GLY A 49 4.280 15.635 14.565 1.00 25.00 C ATOM 696 O GLY A 49 3.880 15.707 15.690 1.00 25.00 O ATOM 0 H GLY A 49 4.912 14.677 11.844 1.00 25.00 H new ATOM 0 HA2 GLY A 49 3.145 14.392 13.298 1.00 25.00 H new ATOM 0 HA3 GLY A 49 4.171 13.535 14.431 1.00 25.00 H new ATOM 700 N GLN A 50 4.973 16.576 14.000 1.00 25.00 N ATOM 701 CA GLN A 50 5.422 17.762 14.704 1.00 25.00 C ATOM 702 C GLN A 50 4.717 19.023 14.221 1.00 25.00 C ATOM 703 O GLN A 50 5.270 20.136 14.271 1.00 25.00 O ATOM 704 CB GLN A 50 6.941 17.911 14.564 1.00 25.00 C ATOM 705 CG GLN A 50 7.786 16.817 15.079 1.00 25.00 C ATOM 706 CD GLN A 50 9.180 17.276 15.330 1.00 25.00 C ATOM 707 OE1 GLN A 50 9.847 17.788 14.466 1.00 25.00 O ATOM 708 NE2 GLN A 50 9.549 17.176 16.591 1.00 25.00 N ATOM 0 H GLN A 50 5.253 16.551 13.019 1.00 25.00 H new ATOM 0 HA GLN A 50 5.165 17.636 15.756 1.00 25.00 H new ATOM 0 HB2 GLN A 50 7.169 18.042 13.506 1.00 25.00 H new ATOM 0 HB3 GLN A 50 7.236 18.830 15.070 1.00 25.00 H new ATOM 0 HG2 GLN A 50 7.358 16.429 16.003 1.00 25.00 H new ATOM 0 HG3 GLN A 50 7.796 15.995 14.363 1.00 25.00 H new ATOM 0 HE21 GLN A 50 8.932 16.729 17.269 1.00 25.00 H new ATOM 0 HE22 GLN A 50 10.452 17.546 16.889 1.00 25.00 H new ATOM 717 N ILE A 51 3.542 18.883 13.621 1.00 25.00 N ATOM 718 CA ILE A 51 2.871 19.991 13.018 1.00 25.00 C ATOM 719 C ILE A 51 2.301 21.018 14.054 1.00 25.00 C ATOM 720 O ILE A 51 2.423 22.257 13.793 1.00 25.00 O ATOM 721 CB ILE A 51 1.723 19.514 11.994 1.00 25.00 C ATOM 722 CG1 ILE A 51 2.298 18.751 10.800 1.00 25.00 C ATOM 723 CG2 ILE A 51 0.789 20.685 11.423 1.00 25.00 C ATOM 724 CD1 ILE A 51 1.341 17.761 10.038 1.00 25.00 C ATOM 0 H ILE A 51 3.042 17.997 13.547 1.00 25.00 H new ATOM 0 HA ILE A 51 3.639 20.517 12.451 1.00 25.00 H new ATOM 0 HB ILE A 51 1.101 18.865 12.610 1.00 25.00 H new ATOM 0 HG12 ILE A 51 2.667 19.482 10.081 1.00 25.00 H new ATOM 0 HG13 ILE A 51 3.161 18.183 11.148 1.00 25.00 H new ATOM 0 HG21 ILE A 51 0.049 20.262 10.744 1.00 25.00 H new ATOM 0 HG22 ILE A 51 0.281 21.181 12.250 1.00 25.00 H new ATOM 0 HG23 ILE A 51 1.401 21.410 10.887 1.00 25.00 H new ATOM 0 HD11 ILE A 51 1.882 17.292 9.217 1.00 25.00 H new ATOM 0 HD12 ILE A 51 0.989 16.993 10.727 1.00 25.00 H new ATOM 0 HD13 ILE A 51 0.488 18.312 9.642 1.00 25.00 H new ATOM 736 N ALA A 52 1.764 20.590 15.179 1.00 25.00 N ATOM 737 CA ALA A 52 1.224 21.549 16.186 1.00 25.00 C ATOM 738 C ALA A 52 2.334 22.328 16.905 1.00 25.00 C ATOM 739 O ALA A 52 2.173 23.530 17.265 1.00 25.00 O ATOM 740 CB ALA A 52 0.318 20.804 17.259 1.00 25.00 C ATOM 0 H ALA A 52 1.680 19.607 15.438 1.00 25.00 H new ATOM 0 HA ALA A 52 0.615 22.263 15.632 1.00 25.00 H new ATOM 0 HB1 ALA A 52 -0.062 21.528 17.980 1.00 25.00 H new ATOM 0 HB2 ALA A 52 -0.519 20.320 16.755 1.00 25.00 H new ATOM 0 HB3 ALA A 52 0.913 20.052 17.778 1.00 25.00 H new ATOM 746 N SER A 53 3.450 21.702 17.203 1.00 25.00 N ATOM 747 CA SER A 53 4.645 22.402 17.683 1.00 25.00 C ATOM 748 C SER A 53 5.325 23.178 16.555 1.00 25.00 C ATOM 749 O SER A 53 6.174 24.019 16.837 1.00 25.00 O ATOM 750 CB SER A 53 5.673 21.406 18.080 1.00 25.00 C ATOM 751 OG SER A 53 5.911 20.423 17.118 1.00 25.00 O ATOM 0 H SER A 53 3.566 20.692 17.123 1.00 25.00 H new ATOM 0 HA SER A 53 4.318 23.053 18.494 1.00 25.00 H new ATOM 0 HB2 SER A 53 6.607 21.927 18.291 1.00 25.00 H new ATOM 0 HB3 SER A 53 5.360 20.925 19.007 1.00 25.00 H new ATOM 0 HG SER A 53 6.598 19.805 17.445 1.00 25.00 H new ATOM 757 N ALA A 54 4.902 22.988 15.297 1.00 25.00 N ATOM 758 CA ALA A 54 5.550 23.458 14.120 1.00 25.00 C ATOM 759 C ALA A 54 7.043 23.143 14.027 1.00 25.00 C ATOM 760 O ALA A 54 7.769 23.758 13.260 1.00 25.00 O ATOM 761 CB ALA A 54 5.245 24.899 13.914 1.00 25.00 C ATOM 0 H ALA A 54 4.048 22.470 15.090 1.00 25.00 H new ATOM 0 HA ALA A 54 5.132 22.887 13.291 1.00 25.00 H new ATOM 0 HB1 ALA A 54 5.744 25.251 13.011 1.00 25.00 H new ATOM 0 HB2 ALA A 54 4.168 25.031 13.808 1.00 25.00 H new ATOM 0 HB3 ALA A 54 5.598 25.472 14.771 1.00 25.00 H new ATOM 767 N GLY A 55 7.395 22.047 14.696 1.00 25.00 N ATOM 768 CA GLY A 55 8.773 21.552 14.586 1.00 25.00 C ATOM 769 C GLY A 55 8.880 20.984 13.188 1.00 25.00 C ATOM 770 O GLY A 55 9.980 21.057 12.608 1.00 25.00 O ATOM 0 H GLY A 55 6.778 21.501 15.297 1.00 25.00 H new ATOM 0 HA2 GLY A 55 9.493 22.355 14.741 1.00 25.00 H new ATOM 0 HA3 GLY A 55 8.979 20.790 15.338 1.00 25.00 H new ATOM 774 N GLY A 56 7.821 20.461 12.632 1.00 25.00 N ATOM 775 CA GLY A 56 7.809 19.984 11.272 1.00 25.00 C ATOM 776 C GLY A 56 7.460 21.068 10.266 1.00 25.00 C ATOM 777 O GLY A 56 7.125 20.739 9.103 1.00 25.00 O ATOM 0 H GLY A 56 6.930 20.352 13.116 1.00 25.00 H new ATOM 0 HA2 GLY A 56 8.788 19.572 11.029 1.00 25.00 H new ATOM 0 HA3 GLY A 56 7.090 19.170 11.185 1.00 25.00 H new ATOM 781 N LEU A 57 7.502 22.338 10.704 1.00 25.00 N ATOM 782 CA LEU A 57 7.184 23.505 9.853 1.00 25.00 C ATOM 783 C LEU A 57 8.309 24.525 9.855 1.00 25.00 C ATOM 784 O LEU A 57 8.997 24.571 8.848 1.00 25.00 O ATOM 785 CB LEU A 57 5.814 24.026 10.150 1.00 25.00 C ATOM 786 CG LEU A 57 4.618 23.042 10.027 1.00 25.00 C ATOM 787 CD1 LEU A 57 3.461 23.688 10.629 1.00 50.00 C ATOM 788 CD2 LEU A 57 4.381 22.743 8.565 1.00 50.00 C ATOM 0 H LEU A 57 7.758 22.588 11.659 1.00 25.00 H new ATOM 0 HA LEU A 57 7.130 23.194 8.810 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.819 24.420 11.166 1.00 25.00 H new ATOM 0 HB3 LEU A 57 5.625 24.867 9.483 1.00 25.00 H new ATOM 0 HG LEU A 57 4.813 22.098 10.537 1.00 25.00 H new ATOM 0 HD11 LEU A 57 2.598 23.025 10.562 1.00 50.00 H new ATOM 0 HD12 LEU A 57 3.670 23.906 11.676 1.00 50.00 H new ATOM 0 HD13 LEU A 57 3.247 24.617 10.101 1.00 50.00 H new ATOM 0 HD21 LEU A 57 3.543 22.053 8.466 1.00 50.00 H new ATOM 0 HD22 LEU A 57 4.153 23.669 8.037 1.00 50.00 H new ATOM 0 HD23 LEU A 57 5.276 22.292 8.136 1.00 50.00 H new ATOM 800 N PHE A 58 8.469 25.257 10.932 1.00 25.00 N ATOM 801 CA PHE A 58 9.564 26.265 11.045 1.00 25.00 C ATOM 802 C PHE A 58 10.907 25.529 11.094 1.00 25.00 C ATOM 803 O PHE A 58 11.898 25.913 10.522 1.00 25.00 O ATOM 804 CB PHE A 58 9.526 27.096 12.356 1.00 25.00 C ATOM 805 CG PHE A 58 8.476 28.217 12.419 1.00 25.00 C ATOM 806 CD1 PHE A 58 7.244 27.940 13.079 1.00 50.00 C ATOM 807 CD2 PHE A 58 8.658 29.447 11.910 1.00 50.00 C ATOM 808 CE1 PHE A 58 6.220 28.969 13.199 1.00 25.00 C ATOM 809 CE2 PHE A 58 7.747 30.505 12.033 1.00 25.00 C ATOM 810 CZ PHE A 58 6.531 30.266 12.721 1.00 25.00 C ATOM 0 H PHE A 58 7.870 25.194 11.755 1.00 25.00 H new ATOM 0 HA PHE A 58 9.437 26.928 10.189 1.00 25.00 H new ATOM 0 HB2 PHE A 58 9.350 26.415 13.188 1.00 25.00 H new ATOM 0 HB3 PHE A 58 10.510 27.539 12.509 1.00 25.00 H new ATOM 0 HD1 PHE A 58 7.068 26.959 13.494 1.00 50.00 H new ATOM 0 HD2 PHE A 58 9.572 29.634 11.367 1.00 50.00 H new ATOM 0 HE1 PHE A 58 5.257 28.751 13.637 1.00 25.00 H new ATOM 0 HE2 PHE A 58 7.966 31.476 11.615 1.00 25.00 H new ATOM 0 HZ PHE A 58 5.837 31.078 12.882 1.00 25.00 H new ATOM 820 N GLY A 59 10.831 24.349 11.699 1.00 25.00 N ATOM 821 CA GLY A 59 11.998 23.473 11.769 1.00 25.00 C ATOM 822 C GLY A 59 12.135 22.591 10.517 1.00 25.00 C ATOM 823 O GLY A 59 13.179 22.135 10.095 1.00 25.00 O ATOM 0 H GLY A 59 9.989 23.980 12.142 1.00 25.00 H new ATOM 0 HA2 GLY A 59 12.898 24.077 11.887 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.922 22.839 12.652 1.00 25.00 H new ATOM 827 N GLY A 60 11.058 22.589 9.775 1.00 25.00 N ATOM 828 CA GLY A 60 10.942 21.786 8.572 1.00 25.00 C ATOM 829 C GLY A 60 11.601 22.430 7.404 1.00 25.00 C ATOM 830 O GLY A 60 11.739 21.858 6.338 1.00 25.00 O ATOM 0 H GLY A 60 10.229 23.145 9.984 1.00 25.00 H new ATOM 0 HA2 GLY A 60 11.389 20.807 8.746 1.00 25.00 H new ATOM 0 HA3 GLY A 60 9.888 21.620 8.347 1.00 25.00 H new ATOM 834 N ILE A 61 12.175 23.601 7.643 1.00 25.00 N ATOM 835 CA ILE A 61 13.049 24.179 6.658 1.00 25.00 C ATOM 836 C ILE A 61 14.313 23.366 6.519 1.00 25.00 C ATOM 837 O ILE A 61 14.830 23.196 5.389 1.00 25.00 O ATOM 838 CB ILE A 61 13.424 25.626 7.013 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.132 26.463 6.986 1.00 25.00 C ATOM 840 CG2 ILE A 61 14.476 26.361 6.036 1.00 25.00 C ATOM 841 CD1 ILE A 61 12.289 27.968 7.326 1.00 25.00 C ATOM 0 H ILE A 61 12.050 24.151 8.493 1.00 25.00 H new ATOM 0 HA ILE A 61 12.506 24.178 5.713 1.00 25.00 H new ATOM 0 HB ILE A 61 13.914 25.561 7.984 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.689 26.380 5.993 1.00 25.00 H new ATOM 0 HG13 ILE A 61 11.424 26.024 7.689 1.00 25.00 H new ATOM 0 HG21 ILE A 61 14.658 27.375 6.393 1.00 25.00 H new ATOM 0 HG22 ILE A 61 15.414 25.806 6.027 1.00 25.00 H new ATOM 0 HG23 ILE A 61 14.068 26.400 5.026 1.00 25.00 H new ATOM 0 HD11 ILE A 61 11.316 28.456 7.276 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.696 28.073 8.332 1.00 25.00 H new ATOM 0 HD13 ILE A 61 12.966 28.434 6.610 1.00 25.00 H new ATOM 853 N LEU A 62 14.668 22.712 7.600 1.00 25.00 N ATOM 854 CA LEU A 62 15.777 21.775 7.543 1.00 25.00 C ATOM 855 C LEU A 62 15.418 20.517 6.797 1.00 25.00 C ATOM 856 O LEU A 62 16.334 19.921 6.193 1.00 25.00 O ATOM 857 CB LEU A 62 16.241 21.313 8.943 1.00 25.00 C ATOM 858 CG LEU A 62 17.125 22.212 9.851 1.00 25.00 C ATOM 859 CD1 LEU A 62 16.558 23.506 10.244 1.00 75.00 C ATOM 860 CD2 LEU A 62 17.571 21.440 11.075 1.00 75.00 C ATOM 0 H LEU A 62 14.220 22.804 8.512 1.00 25.00 H new ATOM 0 HA LEU A 62 16.568 22.327 7.036 1.00 25.00 H new ATOM 0 HB2 LEU A 62 15.341 21.078 9.512 1.00 25.00 H new ATOM 0 HB3 LEU A 62 16.782 20.377 8.803 1.00 25.00 H new ATOM 0 HG LEU A 62 17.973 22.476 9.220 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.270 24.038 10.875 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.350 24.098 9.353 1.00 75.00 H new ATOM 0 HD13 LEU A 62 15.632 23.345 10.797 1.00 75.00 H new ATOM 0 HD21 LEU A 62 18.190 22.080 11.704 1.00 75.00 H new ATOM 0 HD22 LEU A 62 16.697 21.114 11.638 1.00 75.00 H new ATOM 0 HD23 LEU A 62 18.148 20.569 10.765 1.00 75.00 H new ATOM 872 N ASP A 63 14.140 20.160 6.689 1.00 25.00 N ATOM 873 CA ASP A 63 13.716 19.016 5.921 1.00 25.00 C ATOM 874 C ASP A 63 13.734 19.345 4.444 1.00 25.00 C ATOM 875 O ASP A 63 13.946 18.457 3.629 1.00 25.00 O ATOM 876 CB ASP A 63 12.315 18.508 6.297 1.00 25.00 C ATOM 877 CG ASP A 63 11.856 17.359 5.493 1.00 25.00 C ATOM 878 OD1 ASP A 63 11.015 17.649 4.598 1.00 50.00 O ATOM 879 OD2 ASP A 63 12.298 16.196 5.689 1.00 50.00 O1- ATOM 0 H ASP A 63 13.375 20.665 7.137 1.00 25.00 H new ATOM 0 HA ASP A 63 14.424 18.220 6.153 1.00 25.00 H new ATOM 0 HB2 ASP A 63 12.313 18.225 7.350 1.00 25.00 H new ATOM 0 HB3 ASP A 63 11.602 19.325 6.185 1.00 25.00 H new ATOM 884 N GLN A 64 13.626 20.644 4.159 1.00 25.00 N ATOM 885 CA GLN A 64 13.756 21.201 2.806 1.00 25.00 C ATOM 886 C GLN A 64 15.235 21.496 2.493 1.00 25.00 C ATOM 887 O GLN A 64 15.581 22.202 1.534 1.00 25.00 O ATOM 888 CB GLN A 64 12.917 22.486 2.714 1.00 25.00 C ATOM 889 CG GLN A 64 11.408 22.239 2.908 1.00 25.00 C ATOM 890 CD GLN A 64 10.609 23.558 2.928 1.00 25.00 C ATOM 891 OE1 GLN A 64 10.026 23.847 4.041 1.00 25.00 O flip ATOM 892 NE2 GLN A 64 10.601 24.351 1.969 1.00 25.00 N flip ATOM 0 H GLN A 64 13.443 21.352 4.871 1.00 25.00 H new ATOM 0 HA GLN A 64 13.393 20.480 2.074 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.263 23.193 3.468 1.00 25.00 H new ATOM 0 HB3 GLN A 64 13.081 22.951 1.742 1.00 25.00 H new ATOM 0 HG2 GLN A 64 11.038 21.602 2.105 1.00 25.00 H new ATOM 0 HG3 GLN A 64 11.245 21.701 3.842 1.00 25.00 H new ATOM 0 HE21 GLN A 64 11.069 24.102 1.097 1.00 25.00 H new ATOM 0 HE22 GLN A 64 10.127 25.250 2.055 1.00 25.00 H new ATOM 901 N GLN A 65 16.089 20.971 3.374 1.00 25.00 N ATOM 902 CA GLN A 65 17.531 20.971 3.239 1.00 25.00 C ATOM 903 C GLN A 65 18.104 19.570 3.531 1.00 25.00 C ATOM 904 O GLN A 65 19.236 19.361 4.024 1.00 25.00 O ATOM 905 CB GLN A 65 18.198 22.020 4.184 1.00 25.00 C ATOM 906 CG GLN A 65 17.815 23.462 3.827 1.00 25.00 C ATOM 907 CD GLN A 65 18.339 23.828 2.422 1.00 25.00 C ATOM 908 OE1 GLN A 65 19.471 23.579 2.044 1.00 25.00 O ATOM 909 NE2 GLN A 65 17.457 24.374 1.576 1.00 25.00 N ATOM 0 H GLN A 65 15.773 20.518 4.232 1.00 25.00 H new ATOM 0 HA GLN A 65 17.759 21.246 2.209 1.00 25.00 H new ATOM 0 HB2 GLN A 65 17.905 21.814 5.214 1.00 25.00 H new ATOM 0 HB3 GLN A 65 19.281 21.912 4.133 1.00 25.00 H new ATOM 0 HG2 GLN A 65 16.731 23.575 3.858 1.00 25.00 H new ATOM 0 HG3 GLN A 65 18.229 24.148 4.566 1.00 25.00 H new ATOM 0 HE21 GLN A 65 16.510 24.583 1.891 1.00 25.00 H new ATOM 0 HE22 GLN A 65 17.732 24.581 0.616 1.00 25.00 H new ATOM 918 N SER A 66 17.237 18.571 3.359 1.00 25.00 N ATOM 919 CA SER A 66 17.578 17.213 3.768 1.00 25.00 C ATOM 920 C SER A 66 18.295 16.501 2.623 1.00 25.00 C ATOM 921 O SER A 66 18.066 16.790 1.449 1.00 25.00 O ATOM 922 CB SER A 66 16.320 16.452 4.095 1.00 25.00 C ATOM 923 OG SER A 66 16.497 15.049 4.478 1.00 25.00 O ATOM 0 H SER A 66 16.310 18.675 2.947 1.00 25.00 H new ATOM 0 HA SER A 66 18.224 17.257 4.645 1.00 25.00 H new ATOM 0 HB2 SER A 66 15.808 16.968 4.908 1.00 25.00 H new ATOM 0 HB3 SER A 66 15.660 16.490 3.228 1.00 25.00 H new ATOM 0 HG SER A 66 15.623 14.650 4.670 1.00 25.00 H new ATOM 929 N GLU A 67 19.087 15.496 2.916 1.00 25.00 N ATOM 930 CA GLU A 67 19.626 14.539 1.909 1.00 25.00 C ATOM 931 C GLU A 67 18.548 13.893 1.119 1.00 25.00 C ATOM 932 O GLU A 67 18.637 13.713 -0.082 1.00 25.00 O ATOM 933 CB GLU A 67 20.461 13.418 2.539 1.00 25.00 C ATOM 934 CG GLU A 67 21.188 12.454 1.583 1.00 25.00 C ATOM 935 CD GLU A 67 21.622 11.220 2.289 1.00 25.00 C ATOM 936 OE1 GLU A 67 21.446 11.125 3.519 1.00 25.00 O ATOM 937 OE2 GLU A 67 21.998 10.252 1.640 1.00 25.00 O1- ATOM 0 H GLU A 67 19.394 15.296 3.868 1.00 25.00 H new ATOM 0 HA GLU A 67 20.258 15.149 1.264 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.208 13.877 3.187 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.805 12.827 3.178 1.00 25.00 H new ATOM 0 HG2 GLU A 67 20.527 12.190 0.757 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.055 12.952 1.150 1.00 25.00 H new ATOM 944 N ASN A 68 17.413 13.621 1.775 1.00 25.00 N ATOM 945 CA ASN A 68 16.210 12.936 1.217 1.00 25.00 C ATOM 946 C ASN A 68 15.241 13.771 0.350 1.00 25.00 C ATOM 947 O ASN A 68 14.368 13.240 -0.339 1.00 25.00 O ATOM 948 CB ASN A 68 15.393 12.304 2.374 1.00 25.00 C ATOM 949 CG ASN A 68 16.138 11.347 3.184 1.00 25.00 C ATOM 950 OD1 ASN A 68 17.112 10.613 2.701 1.00 25.00 O ATOM 951 ND2 ASN A 68 15.708 11.134 4.393 1.00 25.00 N ATOM 0 H ASN A 68 17.289 13.878 2.754 1.00 25.00 H new ATOM 0 HA ASN A 68 16.638 12.207 0.529 1.00 25.00 H new ATOM 0 HB2 ASN A 68 15.026 13.101 3.021 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.519 11.805 1.955 1.00 25.00 H new ATOM 0 HD21 ASN A 68 16.128 10.399 4.962 1.00 25.00 H new ATOM 0 HD22 ASN A 68 14.951 11.702 4.773 1.00 25.00 H new ATOM 958 N ARG A 69 15.602 15.067 0.306 1.00 25.00 N ATOM 959 CA ARG A 69 14.939 16.096 -0.510 1.00 25.00 C ATOM 960 C ARG A 69 15.268 15.998 -1.941 1.00 25.00 C ATOM 961 O ARG A 69 16.183 16.567 -2.465 1.00 25.00 O ATOM 962 CB ARG A 69 15.423 17.451 -0.035 1.00 25.00 C ATOM 963 CG ARG A 69 14.582 18.561 -0.633 1.00 25.00 C ATOM 964 CD ARG A 69 15.358 19.875 -0.606 1.00 25.00 C ATOM 965 NE ARG A 69 16.420 19.967 -1.616 1.00 25.00 N ATOM 966 CZ ARG A 69 17.382 20.919 -1.710 1.00 25.00 C ATOM 967 NH1 ARG A 69 17.479 21.942 -0.849 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.259 20.763 -2.640 1.00 25.00 N ATOM 0 H ARG A 69 16.382 15.434 0.851 1.00 25.00 H new ATOM 0 HA ARG A 69 13.864 15.957 -0.397 1.00 25.00 H new ATOM 0 HB2 ARG A 69 15.376 17.498 1.053 1.00 25.00 H new ATOM 0 HB3 ARG A 69 16.467 17.588 -0.315 1.00 25.00 H new ATOM 0 HG2 ARG A 69 14.310 18.311 -1.658 1.00 25.00 H new ATOM 0 HG3 ARG A 69 13.653 18.666 -0.073 1.00 25.00 H new ATOM 0 HD2 ARG A 69 14.660 20.699 -0.753 1.00 25.00 H new ATOM 0 HD3 ARG A 69 15.800 20.003 0.382 1.00 25.00 H new ATOM 0 HE ARG A 69 16.436 19.234 -2.325 1.00 25.00 H new ATOM 0 HH11 ARG A 69 16.812 22.028 -0.082 1.00 25.00 H new ATOM 0 HH12 ARG A 69 18.220 22.634 -0.960 1.00 25.00 H new ATOM 0 HH21 ARG A 69 18.207 19.954 -3.259 1.00 25.00 H new ATOM 0 HH22 ARG A 69 19.005 21.448 -2.757 1.00 25.00 H new ATOM 982 N TRP A 70 14.425 15.121 -2.532 1.00 25.00 N ATOM 983 CA TRP A 70 14.448 14.752 -3.912 1.00 25.00 C ATOM 984 C TRP A 70 13.865 15.805 -4.759 1.00 25.00 C ATOM 985 O TRP A 70 13.519 16.897 -4.372 1.00 25.00 O ATOM 986 CB TRP A 70 13.688 13.449 -4.021 1.00 25.00 C ATOM 987 CG TRP A 70 12.177 13.478 -3.802 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.460 14.008 -2.717 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.156 12.974 -4.654 1.00 25.00 C ATOM 990 NE1 TRP A 70 10.108 13.818 -2.866 1.00 25.00 N ATOM 991 CE2 TRP A 70 9.904 13.115 -4.000 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.172 12.461 -6.003 1.00 25.00 C ATOM 993 CZ2 TRP A 70 8.704 12.556 -4.544 1.00 25.00 C ATOM 994 CZ3 TRP A 70 9.922 12.028 -6.621 1.00 25.00 C ATOM 995 CH2 TRP A 70 8.689 12.038 -5.802 1.00 25.00 C ATOM 0 H TRP A 70 13.688 14.646 -2.011 1.00 25.00 H new ATOM 0 HA TRP A 70 15.471 14.627 -4.268 1.00 25.00 H new ATOM 0 HB2 TRP A 70 13.873 13.037 -5.013 1.00 25.00 H new ATOM 0 HB3 TRP A 70 14.116 12.752 -3.301 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.915 14.503 -1.872 1.00 25.00 H new ATOM 0 HE1 TRP A 70 9.383 14.151 -2.230 1.00 25.00 H new ATOM 0 HE3 TRP A 70 12.101 12.398 -6.551 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 7.802 12.545 -3.950 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 9.898 11.708 -7.652 1.00 25.00 H new ATOM 0 HH2 TRP A 70 7.773 11.632 -6.205 1.00 25.00 H new ATOM 1006 N PHE A 71 13.959 15.521 -6.034 1.00 25.00 N ATOM 1007 CA PHE A 71 14.190 16.494 -7.077 1.00 25.00 C ATOM 1008 C PHE A 71 13.003 17.333 -7.450 1.00 25.00 C ATOM 1009 O PHE A 71 11.896 16.898 -7.372 1.00 25.00 O ATOM 1010 CB PHE A 71 14.618 15.777 -8.336 1.00 25.00 C ATOM 1011 CG PHE A 71 13.992 14.379 -8.553 1.00 25.00 C ATOM 1012 CD1 PHE A 71 14.674 13.199 -8.252 1.00 50.00 C ATOM 1013 CD2 PHE A 71 12.759 14.254 -9.205 1.00 50.00 C ATOM 1014 CE1 PHE A 71 14.048 11.911 -8.449 1.00 25.00 C ATOM 1015 CE2 PHE A 71 12.137 12.937 -9.450 1.00 25.00 C ATOM 1016 CZ PHE A 71 12.832 11.766 -9.061 1.00 25.00 C ATOM 0 H PHE A 71 13.874 14.569 -6.390 1.00 25.00 H new ATOM 0 HA PHE A 71 14.948 17.162 -6.668 1.00 25.00 H new ATOM 0 HB2 PHE A 71 14.369 16.404 -9.192 1.00 25.00 H new ATOM 0 HB3 PHE A 71 15.703 15.672 -8.322 1.00 25.00 H new ATOM 0 HD1 PHE A 71 15.682 13.249 -7.867 1.00 50.00 H new ATOM 0 HD2 PHE A 71 12.249 15.146 -9.538 1.00 50.00 H new ATOM 0 HE1 PHE A 71 14.560 11.027 -8.099 1.00 25.00 H new ATOM 0 HE2 PHE A 71 11.167 12.868 -9.919 1.00 25.00 H new ATOM 0 HZ PHE A 71 12.415 10.786 -9.242 1.00 25.00 H new ATOM 1026 N LYS A 72 13.268 18.536 -7.942 1.00 25.00 N ATOM 1027 CA LYS A 72 12.127 19.410 -8.370 1.00 25.00 C ATOM 1028 C LYS A 72 11.570 18.921 -9.683 1.00 25.00 C ATOM 1029 O LYS A 72 12.299 18.765 -10.670 1.00 25.00 O ATOM 1030 CB LYS A 72 12.595 20.893 -8.541 1.00 25.00 C ATOM 1031 CG LYS A 72 12.976 21.529 -7.212 1.00 25.00 C ATOM 1032 CD LYS A 72 13.131 23.051 -7.274 1.00 25.00 C ATOM 1033 CE LYS A 72 14.286 23.680 -8.124 1.00 25.00 C ATOM 1034 NZ LYS A 72 15.675 23.198 -7.751 1.00 25.00 N1+ ATOM 0 H LYS A 72 14.200 18.934 -8.060 1.00 25.00 H new ATOM 0 HA LYS A 72 11.359 19.365 -7.598 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.449 20.928 -9.217 1.00 25.00 H new ATOM 0 HB3 LYS A 72 11.797 21.473 -9.005 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.216 21.281 -6.471 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.913 21.092 -6.867 1.00 25.00 H new ATOM 0 HD2 LYS A 72 12.192 23.459 -7.648 1.00 25.00 H new ATOM 0 HD3 LYS A 72 13.248 23.408 -6.251 1.00 25.00 H new ATOM 0 HE2 LYS A 72 14.108 23.458 -9.176 1.00 25.00 H new ATOM 0 HE3 LYS A 72 14.250 24.764 -8.017 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 16.379 23.662 -8.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 15.869 23.433 -6.757 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.731 22.168 -7.880 1.00 25.00 H new ATOM 1048 N HIS A 73 10.276 18.706 -9.795 1.00 25.00 N ATOM 1049 CA HIS A 73 9.723 18.354 -11.079 1.00 25.00 C ATOM 1050 C HIS A 73 9.456 19.644 -11.864 1.00 25.00 C ATOM 1051 O HIS A 73 8.861 20.556 -11.303 1.00 25.00 O ATOM 1052 CB HIS A 73 8.461 17.469 -10.962 1.00 25.00 C ATOM 1053 CG HIS A 73 8.163 16.579 -12.135 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.433 15.231 -12.127 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.701 16.854 -13.427 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.103 14.711 -13.307 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.662 15.687 -14.089 1.00 25.00 N ATOM 0 H HIS A 73 9.604 18.767 -9.030 1.00 25.00 H new ATOM 0 HA HIS A 73 10.446 17.743 -11.620 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.562 16.844 -10.075 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.601 18.119 -10.798 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.427 17.823 -13.818 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.181 13.669 -13.581 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.341 15.569 -15.050 1.00 25.00 H new ATOM 1065 N ILE A 74 9.886 19.734 -13.080 1.00 25.00 N ATOM 1066 CA ILE A 74 9.711 20.981 -13.824 1.00 25.00 C ATOM 1067 C ILE A 74 8.402 20.880 -14.588 1.00 25.00 C ATOM 1068 O ILE A 74 8.220 19.964 -15.379 1.00 25.00 O ATOM 1069 CB ILE A 74 10.950 21.324 -14.737 1.00 25.00 C ATOM 1070 CG1 ILE A 74 12.171 21.473 -13.822 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.677 22.722 -15.451 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.510 21.602 -14.595 1.00 25.00 C ATOM 0 H ILE A 74 10.355 18.985 -13.590 1.00 25.00 H new ATOM 0 HA ILE A 74 9.659 21.824 -13.135 1.00 25.00 H new ATOM 0 HB ILE A 74 11.115 20.547 -15.484 1.00 25.00 H new ATOM 0 HG12 ILE A 74 12.038 22.352 -13.192 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.225 20.610 -13.158 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.524 22.977 -16.088 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.775 22.650 -16.059 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.545 23.497 -14.696 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.331 21.704 -13.886 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.665 20.712 -15.205 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.475 22.481 -15.239 1.00 25.00 H new ATOM 1084 N MET A 75 7.546 21.845 -14.397 1.00 25.00 N ATOM 1085 CA MET A 75 6.269 21.914 -15.100 1.00 25.00 C ATOM 1086 C MET A 75 6.127 23.357 -15.678 1.00 25.00 C ATOM 1087 O MET A 75 6.295 24.271 -14.874 1.00 25.00 O ATOM 1088 CB MET A 75 5.067 21.645 -14.147 1.00 25.00 C ATOM 1089 CG MET A 75 4.912 20.245 -13.496 1.00 25.00 C ATOM 1090 SD MET A 75 3.746 19.105 -14.172 1.00 25.00 S ATOM 1091 CE MET A 75 4.763 18.693 -15.668 1.00 25.00 C ATOM 0 H MET A 75 7.704 22.616 -13.748 1.00 25.00 H new ATOM 0 HA MET A 75 6.256 21.154 -15.881 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.118 22.377 -13.341 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.154 21.849 -14.706 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.890 19.764 -13.515 1.00 25.00 H new ATOM 0 HG3 MET A 75 4.652 20.397 -12.448 1.00 25.00 H new ATOM 0 HE1 MET A 75 4.416 17.752 -16.096 1.00 25.00 H new ATOM 0 HE2 MET A 75 4.661 19.487 -16.407 1.00 25.00 H new ATOM 0 HE3 MET A 75 5.810 18.597 -15.381 1.00 25.00 H new ATOM 1101 N THR A 76 5.824 23.454 -16.959 1.00 25.00 N ATOM 1102 CA THR A 76 5.526 24.728 -17.586 1.00 25.00 C ATOM 1103 C THR A 76 4.097 25.071 -17.267 1.00 25.00 C ATOM 1104 O THR A 76 3.345 24.262 -16.726 1.00 25.00 O ATOM 1105 CB THR A 76 5.754 24.685 -19.100 1.00 25.00 C ATOM 1106 OG1 THR A 76 5.147 23.551 -19.728 1.00 25.00 O ATOM 1107 CG2 THR A 76 7.287 24.519 -19.413 1.00 25.00 C ATOM 0 H THR A 76 5.778 22.655 -17.592 1.00 25.00 H new ATOM 0 HA THR A 76 6.198 25.493 -17.198 1.00 25.00 H new ATOM 0 HB THR A 76 5.325 25.614 -19.475 1.00 25.00 H new ATOM 0 HG1 THR A 76 5.324 23.577 -20.692 1.00 25.00 H new ATOM 0 HG21 THR A 76 7.437 24.490 -20.492 1.00 25.00 H new ATOM 0 HG22 THR A 76 7.837 25.361 -18.993 1.00 25.00 H new ATOM 0 HG23 THR A 76 7.650 23.591 -18.971 1.00 25.00 H new ATOM 1115 N GLY A 77 3.664 26.261 -17.645 1.00 25.00 N ATOM 1116 CA GLY A 77 2.277 26.664 -17.459 1.00 25.00 C ATOM 1117 C GLY A 77 1.225 25.927 -18.239 1.00 25.00 C ATOM 1118 O GLY A 77 1.531 25.196 -19.221 1.00 25.00 O ATOM 0 H GLY A 77 4.253 26.968 -18.084 1.00 25.00 H new ATOM 0 HA2 GLY A 77 2.039 26.567 -16.400 1.00 25.00 H new ATOM 0 HA3 GLY A 77 2.199 27.722 -17.708 1.00 25.00 H new ATOM 1122 N GLY A 78 0.030 26.056 -17.705 1.00 25.00 N ATOM 1123 CA GLY A 78 -1.143 25.378 -18.201 1.00 25.00 C ATOM 1124 C GLY A 78 -1.540 24.209 -17.321 1.00 25.00 C ATOM 1125 O GLY A 78 -0.947 24.006 -16.279 1.00 25.00 O ATOM 0 H GLY A 78 -0.155 26.649 -16.896 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -1.971 26.084 -18.261 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -0.954 25.021 -19.214 1.00 25.00 H new ATOM 1129 N GLU A 79 -2.664 23.529 -17.545 1.00 25.00 N ATOM 1130 CA GLU A 79 -3.096 22.482 -16.643 1.00 25.00 C ATOM 1131 C GLU A 79 -2.317 21.236 -16.939 1.00 25.00 C ATOM 1132 O GLU A 79 -1.908 21.041 -18.079 1.00 25.00 O ATOM 1133 CB GLU A 79 -4.600 22.144 -16.591 1.00 25.00 C ATOM 1134 CG GLU A 79 -5.278 21.864 -17.952 1.00 25.00 C ATOM 1135 CD GLU A 79 -6.693 21.511 -17.810 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -7.348 22.275 -17.098 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -7.253 20.562 -18.433 1.00 25.00 O1- ATOM 0 H GLU A 79 -3.283 23.689 -18.340 1.00 25.00 H new ATOM 0 HA GLU A 79 -2.898 22.894 -15.653 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -4.734 21.270 -15.954 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.122 22.972 -16.111 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -5.188 22.745 -18.587 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -4.753 21.053 -18.456 1.00 25.00 H new ATOM 1144 N HIS A 80 -2.063 20.425 -15.943 1.00 25.00 N ATOM 1145 CA HIS A 80 -1.380 19.136 -16.170 1.00 25.00 C ATOM 1146 C HIS A 80 -2.198 18.078 -15.420 1.00 25.00 C ATOM 1147 O HIS A 80 -2.904 18.427 -14.463 1.00 25.00 O ATOM 1148 CB HIS A 80 0.047 19.133 -15.702 1.00 25.00 C ATOM 1149 CG HIS A 80 0.930 20.052 -16.468 1.00 25.00 C ATOM 1150 ND1 HIS A 80 1.644 19.692 -17.613 1.00 25.00 N ATOM 1151 CD2 HIS A 80 1.138 21.356 -16.312 1.00 25.00 C ATOM 1152 CE1 HIS A 80 2.342 20.732 -18.003 1.00 25.00 C ATOM 1153 NE2 HIS A 80 2.019 21.775 -17.251 1.00 25.00 N ATOM 0 H HIS A 80 -2.308 20.613 -14.971 1.00 25.00 H new ATOM 0 HA HIS A 80 -1.329 18.933 -17.240 1.00 25.00 H new ATOM 0 HB2 HIS A 80 0.075 19.411 -14.648 1.00 25.00 H new ATOM 0 HB3 HIS A 80 0.442 18.120 -15.775 1.00 25.00 H new ATOM 0 HD2 HIS A 80 0.679 21.979 -15.559 1.00 25.00 H new ATOM 0 HE1 HIS A 80 3.063 20.738 -18.807 1.00 25.00 H new ATOM 0 HE2 HIS A 80 2.372 22.726 -17.361 1.00 25.00 H new ATOM 1161 N THR A 81 -2.131 16.848 -15.863 1.00 25.00 N ATOM 1162 CA THR A 81 -2.846 15.795 -15.127 1.00 25.00 C ATOM 1163 C THR A 81 -2.026 15.272 -13.945 1.00 25.00 C ATOM 1164 O THR A 81 -0.888 14.884 -14.157 1.00 25.00 O ATOM 1165 CB THR A 81 -3.160 14.570 -15.950 1.00 25.00 C ATOM 1166 OG1 THR A 81 -3.679 15.026 -17.242 1.00 25.00 O ATOM 1167 CG2 THR A 81 -4.339 13.685 -15.428 1.00 25.00 C ATOM 0 H THR A 81 -1.618 16.543 -16.690 1.00 25.00 H new ATOM 0 HA THR A 81 -3.767 16.290 -14.817 1.00 25.00 H new ATOM 0 HB THR A 81 -2.233 13.996 -15.947 1.00 25.00 H new ATOM 0 HG1 THR A 81 -3.892 14.250 -17.801 1.00 25.00 H new ATOM 0 HG21 THR A 81 -4.477 12.833 -16.094 1.00 25.00 H new ATOM 0 HG22 THR A 81 -4.109 13.327 -14.424 1.00 25.00 H new ATOM 0 HG23 THR A 81 -5.254 14.277 -15.401 1.00 25.00 H new ATOM 1175 N PHE A 82 -2.557 15.020 -12.802 1.00 25.00 N ATOM 1176 CA PHE A 82 -1.791 14.461 -11.740 1.00 25.00 C ATOM 1177 C PHE A 82 -2.601 13.206 -11.375 1.00 25.00 C ATOM 1178 O PHE A 82 -3.807 13.261 -11.151 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.856 15.566 -10.677 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.039 16.755 -11.029 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.373 16.705 -10.839 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.597 17.866 -11.642 1.00 50.00 C ATOM 1183 CE1 PHE A 82 1.196 17.849 -11.198 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -0.778 18.978 -12.058 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.631 19.035 -11.709 1.00 25.00 C ATOM 0 H PHE A 82 -3.536 15.195 -12.574 1.00 25.00 H new ATOM 0 HA PHE A 82 -0.751 14.183 -11.913 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.893 15.872 -10.541 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.514 15.166 -9.723 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.832 15.818 -10.428 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.663 17.900 -11.811 1.00 50.00 H new ATOM 0 HE1 PHE A 82 2.267 17.788 -11.070 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.217 19.778 -12.636 1.00 25.00 H new ATOM 0 HZ PHE A 82 1.213 19.936 -11.834 1.00 25.00 H new ATOM 1195 N THR A 83 -1.953 12.037 -11.414 1.00 25.00 N ATOM 1196 CA THR A 83 -2.601 10.780 -11.294 1.00 25.00 C ATOM 1197 C THR A 83 -1.710 9.936 -10.424 1.00 25.00 C ATOM 1198 O THR A 83 -0.469 9.889 -10.583 1.00 25.00 O ATOM 1199 CB THR A 83 -2.806 10.177 -12.704 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.525 11.103 -13.527 1.00 25.00 O ATOM 1201 CG2 THR A 83 -3.573 8.927 -12.726 1.00 25.00 C ATOM 0 H THR A 83 -0.943 11.965 -11.533 1.00 25.00 H new ATOM 0 HA THR A 83 -3.591 10.850 -10.843 1.00 25.00 H new ATOM 0 HB THR A 83 -1.799 9.969 -13.067 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.651 10.718 -14.419 1.00 25.00 H new ATOM 0 HG21 THR A 83 -3.668 8.576 -13.754 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.057 8.173 -12.131 1.00 25.00 H new ATOM 0 HG23 THR A 83 -4.565 9.101 -12.309 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.364 9.214 -9.517 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.673 8.266 -8.656 1.00 25.00 C ATOM 1211 C TRP A 84 -2.268 6.952 -8.917 1.00 25.00 C ATOM 1212 O TRP A 84 -3.430 6.948 -9.265 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.766 8.687 -7.180 1.00 25.00 C ATOM 1214 CG TRP A 84 -0.966 9.915 -6.742 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.044 10.673 -7.401 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.027 10.521 -5.402 1.00 25.00 C ATOM 1217 NE1 TRP A 84 0.456 11.653 -6.561 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.071 11.555 -5.304 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -1.892 10.298 -4.300 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 0.129 12.325 -4.113 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -1.674 11.015 -3.072 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -0.636 12.010 -3.023 1.00 25.00 C ATOM 0 H TRP A 84 -3.371 9.269 -9.362 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.605 8.233 -8.872 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.815 8.869 -6.948 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.447 7.843 -6.569 1.00 25.00 H new ATOM 0 HD1 TRP A 84 0.253 10.530 -8.429 1.00 25.00 H new ATOM 0 HE1 TRP A 84 1.134 12.360 -6.845 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -2.708 9.595 -4.382 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 0.855 13.123 -4.077 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -2.279 10.810 -2.201 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -0.454 12.527 -2.092 1.00 25.00 H new ATOM 1233 N THR A 85 -1.498 5.877 -8.831 1.00 25.00 N ATOM 1234 CA THR A 85 -2.025 4.526 -9.021 1.00 25.00 C ATOM 1235 C THR A 85 -1.723 3.742 -7.762 1.00 25.00 C ATOM 1236 O THR A 85 -0.699 3.926 -7.117 1.00 25.00 O ATOM 1237 CB THR A 85 -1.425 3.952 -10.338 1.00 25.00 C ATOM 1238 OG1 THR A 85 -1.871 2.587 -10.516 1.00 25.00 O ATOM 1239 CG2 THR A 85 0.047 3.919 -10.374 1.00 25.00 C ATOM 0 H THR A 85 -0.499 5.911 -8.630 1.00 25.00 H new ATOM 0 HA THR A 85 -3.106 4.484 -9.153 1.00 25.00 H new ATOM 0 HB THR A 85 -1.769 4.624 -11.124 1.00 25.00 H new ATOM 0 HG1 THR A 85 -1.495 2.226 -11.346 1.00 25.00 H new ATOM 0 HG21 THR A 85 0.378 3.505 -11.326 1.00 25.00 H new ATOM 0 HG22 THR A 85 0.436 4.931 -10.263 1.00 25.00 H new ATOM 0 HG23 THR A 85 0.417 3.296 -9.559 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.697 2.968 -7.307 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.651 2.263 -6.045 1.00 25.00 C ATOM 1249 C TYR A 86 -2.921 0.747 -6.181 1.00 25.00 C ATOM 1250 O TYR A 86 -3.654 0.267 -6.984 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.683 2.912 -5.081 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.282 4.234 -4.468 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.385 5.415 -5.154 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.787 4.257 -3.185 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.106 6.644 -4.465 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -2.421 5.467 -2.515 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.612 6.667 -3.169 1.00 25.00 C ATOM 1258 OH TYR A 86 -2.371 7.792 -2.385 1.00 25.00 O ATOM 0 H TYR A 86 -3.563 2.812 -7.823 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.639 2.351 -5.649 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.617 3.055 -5.625 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.888 2.208 -4.274 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -3.671 5.422 -6.195 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -2.669 3.320 -2.660 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -3.287 7.580 -4.972 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -2.004 5.442 -1.519 1.00 25.00 H new ATOM 0 HH TYR A 86 -2.151 8.552 -2.963 1.00 25.00 H new ATOM 1268 N THR A 87 -2.449 0.001 -5.167 1.00 25.00 N ATOM 1269 CA THR A 87 -2.497 -1.462 -5.018 1.00 25.00 C ATOM 1270 C THR A 87 -3.292 -1.649 -3.728 1.00 25.00 C ATOM 1271 O THR A 87 -3.270 -2.727 -3.128 1.00 25.00 O ATOM 1272 CB THR A 87 -1.129 -2.038 -4.829 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.451 -1.377 -3.734 1.00 25.00 O ATOM 1274 CG2 THR A 87 -0.311 -1.989 -6.086 1.00 25.00 C ATOM 0 H THR A 87 -1.989 0.440 -4.370 1.00 25.00 H new ATOM 0 HA THR A 87 -2.925 -1.951 -5.893 1.00 25.00 H new ATOM 0 HB THR A 87 -1.249 -3.092 -4.579 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.442 -1.765 -3.620 1.00 25.00 H new ATOM 0 HG21 THR A 87 0.673 -2.418 -5.897 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.812 -2.559 -6.868 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.199 -0.953 -6.407 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.990 -0.590 -3.287 1.00 25.00 N ATOM 1283 CA ALA A 88 -4.627 -0.521 -1.999 1.00 25.00 C ATOM 1284 C ALA A 88 -5.970 -1.226 -1.995 1.00 25.00 C ATOM 1285 O ALA A 88 -6.888 -0.555 -2.526 1.00 25.00 O ATOM 1286 CB ALA A 88 -4.733 1.001 -1.666 1.00 25.00 C ATOM 0 H ALA A 88 -4.119 0.254 -3.845 1.00 25.00 H new ATOM 0 HA ALA A 88 -4.052 -1.041 -1.233 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -5.211 1.128 -0.695 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -3.735 1.438 -1.640 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -5.328 1.500 -2.431 1.00 25.00 H new ATOM 1292 N PRO A 89 -6.200 -2.150 -1.121 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.587 -2.471 -0.741 1.00 25.00 C ATOM 1294 C PRO A 89 -8.013 -1.552 0.440 1.00 25.00 C ATOM 1295 O PRO A 89 -9.177 -1.460 0.833 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.427 -3.885 -0.208 1.00 25.00 C ATOM 1297 CG PRO A 89 -6.080 -3.974 0.416 1.00 25.00 C ATOM 1298 CD PRO A 89 -5.219 -2.961 -0.382 1.00 25.00 C ATOM 0 HA PRO A 89 -8.315 -2.356 -1.544 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.204 -4.110 0.522 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -7.526 -4.613 -1.014 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -6.115 -3.719 1.475 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -5.675 -4.983 0.345 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -4.613 -2.344 0.282 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -4.533 -3.469 -1.059 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.056 -0.822 0.915 1.00 25.00 N ATOM 1307 CA HIS A 90 -7.238 0.083 2.041 1.00 25.00 C ATOM 1308 C HIS A 90 -8.345 1.111 1.853 1.00 25.00 C ATOM 1309 O HIS A 90 -8.354 1.750 0.810 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.955 0.880 2.334 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.699 0.044 2.334 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.438 -1.013 3.156 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.660 0.083 1.469 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -3.366 -1.682 2.709 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.785 -0.926 1.752 1.00 0.00 N ATOM 0 H HIS A 90 -6.108 -0.826 0.538 1.00 25.00 H new ATOM 0 HA HIS A 90 -7.507 -0.581 2.862 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.853 1.670 1.590 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.055 1.366 3.304 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.978 -1.258 3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.540 0.804 0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.028 -2.649 3.051 1.00 0.00 H new ATOM 1323 N ASN A 91 -9.141 1.379 2.898 1.00 25.00 N ATOM 1324 CA ASN A 91 -10.167 2.405 2.811 1.00 25.00 C ATOM 1325 C ASN A 91 -9.706 3.811 3.236 1.00 25.00 C ATOM 1326 O ASN A 91 -9.426 4.059 4.378 1.00 25.00 O ATOM 1327 CB ASN A 91 -11.309 1.938 3.719 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.896 0.624 3.326 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -12.541 0.480 2.298 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -11.815 -0.382 4.156 1.00 25.00 N ATOM 0 H ASN A 91 -9.089 0.902 3.798 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.459 2.515 1.767 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.941 1.869 4.743 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -12.096 2.692 3.714 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -12.284 -1.261 3.939 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -11.283 -0.288 5.021 1.00 25.00 H new ATOM 1337 N THR A 92 -9.585 4.688 2.274 1.00 25.00 N ATOM 1338 CA THR A 92 -9.192 6.093 2.492 1.00 25.00 C ATOM 1339 C THR A 92 -10.314 6.728 3.272 1.00 25.00 C ATOM 1340 O THR A 92 -11.453 6.453 3.053 1.00 25.00 O ATOM 1341 CB THR A 92 -9.021 6.667 1.096 1.00 25.00 C ATOM 1342 OG1 THR A 92 -8.263 5.793 0.311 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.383 7.981 1.191 1.00 25.00 C ATOM 0 H THR A 92 -9.755 4.462 1.294 1.00 25.00 H new ATOM 0 HA THR A 92 -8.272 6.250 3.055 1.00 25.00 H new ATOM 0 HB THR A 92 -9.995 6.786 0.621 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.323 6.069 0.329 1.00 25.00 H new ATOM 0 HG21 THR A 92 -8.258 8.398 0.192 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.008 8.647 1.786 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.407 7.878 1.666 1.00 25.00 H new ATOM 1351 N SER A 93 -9.941 7.684 4.096 1.00 25.00 N ATOM 1352 CA SER A 93 -10.949 8.573 4.680 1.00 25.00 C ATOM 1353 C SER A 93 -10.975 9.873 3.944 1.00 25.00 C ATOM 1354 O SER A 93 -11.998 10.425 3.554 1.00 25.00 O ATOM 1355 CB SER A 93 -10.583 8.765 6.150 1.00 25.00 C ATOM 1356 OG SER A 93 -9.146 8.975 6.168 1.00 25.00 O ATOM 0 H SER A 93 -8.978 7.871 4.377 1.00 25.00 H new ATOM 0 HA SER A 93 -11.949 8.146 4.601 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.110 9.618 6.577 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.859 7.892 6.741 1.00 25.00 H new ATOM 0 HG SER A 93 -8.846 9.107 7.092 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.816 10.390 3.619 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.639 11.667 2.954 1.00 25.00 C ATOM 1364 C GLN A 94 -8.260 11.849 2.387 1.00 25.00 C ATOM 1365 O GLN A 94 -7.266 11.391 2.857 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.873 12.760 3.979 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.892 14.192 3.569 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.107 15.044 4.770 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -11.242 15.189 5.252 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -9.044 15.585 5.231 1.00 25.00 N ATOM 0 H GLN A 94 -8.933 9.918 3.816 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.343 11.709 2.123 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.829 12.551 4.459 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.102 12.655 4.743 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.952 14.456 3.085 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -10.685 14.363 2.841 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -8.147 15.415 4.776 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -9.093 16.186 6.054 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.276 12.525 1.232 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.965 12.976 0.758 1.00 25.00 C ATOM 1381 C TRP A 95 -7.075 14.380 0.216 1.00 25.00 C ATOM 1382 O TRP A 95 -8.031 14.785 -0.415 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.330 11.987 -0.223 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.018 11.719 -1.553 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.239 11.132 -1.734 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -6.440 11.908 -2.848 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.461 10.979 -3.098 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.363 11.428 -3.772 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -5.218 12.448 -3.316 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -7.135 11.505 -5.168 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -4.946 12.414 -4.625 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -5.880 11.907 -5.561 1.00 25.00 C ATOM 0 H TRP A 95 -9.089 12.754 0.660 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.275 13.005 1.602 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.322 12.341 -0.440 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.229 11.032 0.293 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -8.918 10.836 -0.948 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.304 10.595 -3.524 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -4.513 12.883 -2.623 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -7.905 11.261 -5.885 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -3.993 12.781 -4.976 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -5.602 11.835 -6.602 1.00 25.00 H new ATOM 1403 N HIS A 96 -6.083 15.198 0.508 1.00 25.00 N ATOM 1404 CA HIS A 96 -6.061 16.556 0.012 1.00 25.00 C ATOM 1405 C HIS A 96 -4.578 17.026 -0.218 1.00 25.00 C ATOM 1406 O HIS A 96 -3.702 16.468 0.455 1.00 25.00 O ATOM 1407 CB HIS A 96 -6.881 17.548 0.873 1.00 25.00 C ATOM 1408 CG HIS A 96 -6.457 17.593 2.307 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -5.305 17.228 2.901 1.00 25.00 N flip ATOM 1410 CD2 HIS A 96 -7.231 18.066 3.358 1.00 25.00 C flip ATOM 1411 CE1 HIS A 96 -5.460 17.403 4.268 1.00 25.00 C flip ATOM 1412 NE2 HIS A 96 -6.622 17.921 4.506 1.00 25.00 N flip ATOM 0 H HIS A 96 -5.282 14.944 1.087 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.571 16.556 -0.951 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -6.791 18.547 0.445 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -7.935 17.273 0.823 1.00 25.00 H new ATOM 0 HD1 HIS A 96 -4.468 16.884 2.430 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -8.213 18.500 3.242 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -4.726 17.147 5.017 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.417 17.932 -1.143 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.044 18.322 -1.529 1.00 25.00 C ATOM 1422 C TYR A 97 -2.939 19.833 -1.714 1.00 25.00 C ATOM 1423 O TYR A 97 -3.907 20.478 -1.995 1.00 25.00 O ATOM 1424 CB TYR A 97 -2.702 17.549 -2.775 1.00 25.00 C ATOM 1425 CG TYR A 97 -3.898 17.181 -3.644 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.575 16.009 -3.431 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.375 18.051 -4.704 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -5.708 15.723 -4.201 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -5.494 17.698 -5.487 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.242 16.534 -5.211 1.00 25.00 C ATOM 1431 OH TYR A 97 -7.431 16.219 -5.818 1.00 25.00 O ATOM 0 H TYR A 97 -5.169 18.410 -1.639 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.325 18.080 -0.747 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.004 18.137 -3.371 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.184 16.634 -2.488 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.238 15.313 -2.677 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -3.865 18.983 -4.896 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.217 14.792 -3.998 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -5.784 18.331 -6.313 1.00 25.00 H new ATOM 0 HH TYR A 97 -7.643 16.897 -6.494 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.782 20.351 -1.312 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.511 21.764 -1.157 1.00 25.00 C ATOM 1443 C TYR A 98 -0.242 22.053 -1.969 1.00 25.00 C ATOM 1444 O TYR A 98 0.506 21.114 -2.345 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.238 22.093 0.326 1.00 25.00 C ATOM 1446 CG TYR A 98 -2.249 21.600 1.341 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -2.228 20.266 1.886 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -3.236 22.532 1.820 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -3.081 19.925 2.916 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -4.081 22.076 2.894 1.00 25.00 C ATOM 1451 CZ TYR A 98 -4.034 20.788 3.369 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.922 20.356 4.313 1.00 25.00 O ATOM 0 H TYR A 98 -0.979 19.768 -1.077 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.359 22.361 -1.494 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.265 21.680 0.590 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -1.162 23.176 0.423 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.543 19.532 1.488 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -3.338 23.520 1.397 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.991 18.951 3.374 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.776 22.771 3.341 1.00 25.00 H new ATOM 0 HH TYR A 98 -5.540 21.083 4.537 1.00 25.00 H new ATOM 1462 N ILE A 99 0.050 23.357 -2.203 1.00 25.00 N ATOM 1463 CA ILE A 99 1.412 23.746 -2.609 1.00 25.00 C ATOM 1464 C ILE A 99 1.825 24.713 -1.510 1.00 25.00 C ATOM 1465 O ILE A 99 1.043 25.399 -0.870 1.00 25.00 O ATOM 1466 CB ILE A 99 1.625 24.470 -3.948 1.00 25.00 C ATOM 1467 CG1 ILE A 99 0.674 25.671 -4.096 1.00 25.00 C ATOM 1468 CG2 ILE A 99 1.518 23.377 -5.041 1.00 25.00 C ATOM 1469 CD1 ILE A 99 1.117 26.684 -5.184 1.00 25.00 C ATOM 0 H ILE A 99 -0.615 24.126 -2.120 1.00 25.00 H new ATOM 0 HA ILE A 99 1.975 22.823 -2.748 1.00 25.00 H new ATOM 0 HB ILE A 99 2.605 24.940 -4.031 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -0.324 25.306 -4.337 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.602 26.187 -3.139 1.00 25.00 H new ATOM 0 HG21 ILE A 99 1.661 23.829 -6.023 1.00 25.00 H new ATOM 0 HG22 ILE A 99 2.284 22.620 -4.875 1.00 25.00 H new ATOM 0 HG23 ILE A 99 0.533 22.912 -4.996 1.00 25.00 H new ATOM 0 HD11 ILE A 99 0.400 27.503 -5.232 1.00 25.00 H new ATOM 0 HD12 ILE A 99 2.102 27.078 -4.935 1.00 25.00 H new ATOM 0 HD13 ILE A 99 1.161 26.183 -6.151 1.00 25.00 H new ATOM 1481 N THR A 100 3.137 24.819 -1.320 1.00 25.00 N ATOM 1482 CA THR A 100 3.656 25.978 -0.547 1.00 25.00 C ATOM 1483 C THR A 100 3.614 27.226 -1.358 1.00 25.00 C ATOM 1484 O THR A 100 3.814 27.166 -2.591 1.00 25.00 O ATOM 1485 CB THR A 100 5.091 25.687 -0.086 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.898 25.330 -1.258 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.120 24.585 0.846 1.00 25.00 C ATOM 0 H THR A 100 3.839 24.164 -1.663 1.00 25.00 H new ATOM 0 HA THR A 100 3.020 26.128 0.325 1.00 25.00 H new ATOM 0 HB THR A 100 5.487 26.575 0.407 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.818 25.143 -0.977 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.148 24.399 1.157 1.00 25.00 H new ATOM 0 HG22 THR A 100 4.515 24.831 1.719 1.00 25.00 H new ATOM 0 HG23 THR A 100 4.719 23.692 0.366 1.00 25.00 H new ATOM 1495 N LYS A 101 3.484 28.363 -0.701 1.00 25.00 N ATOM 1496 CA LYS A 101 3.714 29.668 -1.291 1.00 25.00 C ATOM 1497 C LYS A 101 4.780 30.456 -0.546 1.00 25.00 C ATOM 1498 O LYS A 101 4.833 30.396 0.697 1.00 25.00 O ATOM 1499 CB LYS A 101 2.453 30.546 -1.467 1.00 25.00 C ATOM 1500 CG LYS A 101 1.773 30.928 -0.124 1.00 25.00 C ATOM 1501 CD LYS A 101 0.585 31.852 -0.516 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.220 32.343 0.644 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.451 33.024 0.212 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.209 28.406 0.280 1.00 25.00 H new ATOM 0 HA LYS A 101 4.064 29.429 -2.295 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.726 31.457 -1.999 1.00 25.00 H new ATOM 0 HB3 LYS A 101 1.734 30.015 -2.091 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.424 30.042 0.407 1.00 25.00 H new ATOM 0 HG3 LYS A 101 2.470 31.442 0.538 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.973 32.711 -1.064 1.00 25.00 H new ATOM 0 HD3 LYS A 101 -0.072 31.311 -1.196 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -0.478 31.502 1.288 1.00 25.00 H new ATOM 0 HE3 LYS A 101 0.383 33.028 1.240 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -2.067 33.183 1.035 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -1.209 33.938 -0.220 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -1.949 32.433 -0.484 1.00 25.00 H new ATOM 1517 N LYS A 102 5.729 31.060 -1.284 1.00 25.00 N ATOM 1518 CA LYS A 102 6.965 31.758 -0.761 1.00 25.00 C ATOM 1519 C LYS A 102 6.524 33.040 0.027 1.00 25.00 C ATOM 1520 O LYS A 102 5.448 33.607 -0.267 1.00 25.00 O ATOM 1521 CB LYS A 102 7.867 32.131 -1.948 1.00 25.00 C ATOM 1522 CG LYS A 102 9.243 32.310 -1.552 1.00 25.00 C ATOM 1523 CD LYS A 102 9.940 32.634 -2.825 1.00 25.00 C ATOM 1524 CE LYS A 102 11.434 32.746 -2.608 1.00 25.00 C ATOM 1525 NZ LYS A 102 12.038 33.164 -3.866 1.00 25.00 N1+ ATOM 0 H LYS A 102 5.674 31.088 -2.302 1.00 25.00 H new ATOM 0 HA LYS A 102 7.523 31.105 -0.090 1.00 25.00 H new ATOM 0 HB2 LYS A 102 7.808 31.350 -2.707 1.00 25.00 H new ATOM 0 HB3 LYS A 102 7.500 33.049 -2.406 1.00 25.00 H new ATOM 0 HG2 LYS A 102 9.348 33.113 -0.823 1.00 25.00 H new ATOM 0 HG3 LYS A 102 9.648 31.408 -1.093 1.00 25.00 H new ATOM 0 HD2 LYS A 102 9.733 31.861 -3.565 1.00 25.00 H new ATOM 0 HD3 LYS A 102 9.555 33.571 -3.227 1.00 25.00 H new ATOM 0 HE2 LYS A 102 11.652 33.468 -1.821 1.00 25.00 H new ATOM 0 HE3 LYS A 102 11.846 31.789 -2.286 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 13.067 33.249 -3.745 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 11.833 32.458 -4.601 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 11.646 34.084 -4.151 1.00 25.00 H new ATOM 1539 N GLY A 103 7.297 33.605 0.936 1.00 25.00 N ATOM 1540 CA GLY A 103 7.034 34.918 1.429 1.00 25.00 C ATOM 1541 C GLY A 103 6.082 35.070 2.602 1.00 25.00 C ATOM 1542 O GLY A 103 5.245 35.959 2.644 1.00 25.00 O ATOM 0 H GLY A 103 8.118 33.158 1.343 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.987 35.363 1.715 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.641 35.511 0.603 1.00 25.00 H new ATOM 1546 N TRP A 104 6.186 34.119 3.546 1.00 25.00 N ATOM 1547 CA TRP A 104 5.263 34.123 4.735 1.00 25.00 C ATOM 1548 C TRP A 104 5.585 35.366 5.593 1.00 25.00 C ATOM 1549 O TRP A 104 6.624 36.023 5.415 1.00 25.00 O ATOM 1550 CB TRP A 104 5.409 32.876 5.514 1.00 25.00 C ATOM 1551 CG TRP A 104 6.715 32.443 6.175 1.00 25.00 C ATOM 1552 CD1 TRP A 104 7.598 33.311 6.696 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.141 31.111 6.539 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.606 32.628 7.329 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.373 31.277 7.268 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.566 29.818 6.536 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.979 30.218 8.029 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 7.211 28.696 7.234 1.00 25.00 C ATOM 1559 CH2 TRP A 104 8.399 28.966 8.039 1.00 25.00 C ATOM 0 H TRP A 104 6.865 33.358 3.530 1.00 25.00 H new ATOM 0 HA TRP A 104 4.225 34.170 4.405 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.664 32.921 6.308 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.117 32.063 4.849 1.00 25.00 H new ATOM 0 HD1 TRP A 104 7.525 34.386 6.627 1.00 25.00 H new ATOM 0 HE1 TRP A 104 9.412 33.062 7.780 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.637 29.652 6.012 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.883 30.402 8.590 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 6.815 27.695 7.153 1.00 25.00 H new ATOM 0 HH2 TRP A 104 8.826 28.181 8.646 1.00 25.00 H new ATOM 1570 N ASP A 105 4.691 35.634 6.550 1.00 25.00 N ATOM 1571 CA ASP A 105 4.786 36.801 7.457 1.00 25.00 C ATOM 1572 C ASP A 105 4.281 36.421 8.853 1.00 25.00 C ATOM 1573 O ASP A 105 3.132 36.058 8.972 1.00 25.00 O ATOM 1574 CB ASP A 105 3.861 37.876 6.862 1.00 25.00 C ATOM 1575 CG ASP A 105 3.946 39.184 7.623 1.00 25.00 C ATOM 1576 OD1 ASP A 105 3.399 40.138 7.094 1.00 25.00 O ATOM 1577 OD2 ASP A 105 4.560 39.254 8.676 1.00 25.00 O1- ATOM 0 H ASP A 105 3.874 35.049 6.725 1.00 25.00 H new ATOM 0 HA ASP A 105 5.815 37.149 7.548 1.00 25.00 H new ATOM 0 HB2 ASP A 105 4.127 38.046 5.819 1.00 25.00 H new ATOM 0 HB3 ASP A 105 2.832 37.516 6.874 1.00 25.00 H new ATOM 1582 N PRO A 106 5.133 36.624 9.900 1.00 25.00 N ATOM 1583 CA PRO A 106 4.520 36.402 11.242 1.00 25.00 C ATOM 1584 C PRO A 106 3.302 37.227 11.623 1.00 25.00 C ATOM 1585 O PRO A 106 2.542 36.786 12.494 1.00 25.00 O ATOM 1586 CB PRO A 106 5.699 36.704 12.155 1.00 25.00 C ATOM 1587 CG PRO A 106 6.951 36.619 11.313 1.00 25.00 C ATOM 1588 CD PRO A 106 6.570 36.991 9.940 1.00 25.00 C ATOM 0 HA PRO A 106 4.089 35.403 11.297 1.00 25.00 H new ATOM 0 HB2 PRO A 106 5.599 37.696 12.597 1.00 25.00 H new ATOM 0 HB3 PRO A 106 5.740 35.991 12.978 1.00 25.00 H new ATOM 0 HG2 PRO A 106 7.720 37.290 11.696 1.00 25.00 H new ATOM 0 HG3 PRO A 106 7.366 35.611 11.339 1.00 25.00 H new ATOM 0 HD2 PRO A 106 6.724 38.053 9.749 1.00 25.00 H new ATOM 0 HD3 PRO A 106 7.150 36.446 9.195 1.00 25.00 H new ATOM 1596 N ASP A 107 3.190 38.449 11.106 1.00 25.00 N ATOM 1597 CA ASP A 107 2.031 39.246 11.545 1.00 25.00 C ATOM 1598 C ASP A 107 0.694 38.775 11.038 1.00 25.00 C ATOM 1599 O ASP A 107 -0.323 39.360 11.280 1.00 25.00 O ATOM 1600 CB ASP A 107 2.233 40.681 10.987 1.00 25.00 C ATOM 1601 CG ASP A 107 1.335 41.739 11.701 1.00 25.00 C ATOM 1602 OD1 ASP A 107 0.646 42.506 11.033 1.00 75.00 O ATOM 1603 OD2 ASP A 107 1.347 41.807 12.921 1.00 75.00 O1- ATOM 0 H ASP A 107 3.824 38.887 10.438 1.00 25.00 H new ATOM 0 HA ASP A 107 2.000 39.169 12.632 1.00 25.00 H new ATOM 0 HB2 ASP A 107 3.279 40.965 11.098 1.00 25.00 H new ATOM 0 HB3 ASP A 107 2.013 40.685 9.919 1.00 25.00 H new ATOM 1608 N LYS A 108 0.752 37.666 10.264 1.00 25.00 N ATOM 1609 CA LYS A 108 -0.355 37.155 9.430 1.00 25.00 C ATOM 1610 C LYS A 108 -0.419 35.644 9.740 1.00 25.00 C ATOM 1611 O LYS A 108 0.486 35.193 10.384 1.00 25.00 O ATOM 1612 CB LYS A 108 -0.006 37.473 7.953 1.00 25.00 C ATOM 1613 CG LYS A 108 -0.112 38.887 7.556 1.00 25.00 C ATOM 1614 CD LYS A 108 -0.127 39.078 6.023 1.00 25.00 C ATOM 1615 CE LYS A 108 -0.246 40.549 5.498 1.00 25.00 C ATOM 1616 NZ LYS A 108 0.991 41.282 5.882 1.00 25.00 N1+ ATOM 0 H LYS A 108 1.591 37.090 10.203 1.00 25.00 H new ATOM 0 HA LYS A 108 -1.330 37.602 9.626 1.00 25.00 H new ATOM 0 HB2 LYS A 108 1.013 37.137 7.761 1.00 25.00 H new ATOM 0 HB3 LYS A 108 -0.662 36.885 7.311 1.00 25.00 H new ATOM 0 HG2 LYS A 108 -1.022 39.311 7.980 1.00 25.00 H new ATOM 0 HG3 LYS A 108 0.725 39.442 7.979 1.00 25.00 H new ATOM 0 HD2 LYS A 108 0.787 38.645 5.617 1.00 25.00 H new ATOM 0 HD3 LYS A 108 -0.959 38.503 5.617 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -0.372 40.557 4.415 1.00 25.00 H new ATOM 0 HE3 LYS A 108 -1.124 41.035 5.925 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 0.754 42.027 6.568 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 1.669 40.619 6.310 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 1.416 41.713 5.036 1.00 25.00 H new ATOM 1630 N PRO A 109 -1.396 34.855 9.268 1.00 25.00 N ATOM 1631 CA PRO A 109 -1.545 33.399 9.347 1.00 25.00 C ATOM 1632 C PRO A 109 -0.488 32.412 8.964 1.00 25.00 C ATOM 1633 O PRO A 109 -0.834 31.255 8.752 1.00 25.00 O ATOM 1634 CB PRO A 109 -2.734 33.158 8.368 1.00 25.00 C ATOM 1635 CG PRO A 109 -3.541 34.298 8.565 1.00 25.00 C ATOM 1636 CD PRO A 109 -2.634 35.390 8.592 1.00 25.00 C ATOM 0 HA PRO A 109 -1.597 33.195 10.416 1.00 25.00 H new ATOM 0 HB2 PRO A 109 -2.396 33.076 7.335 1.00 25.00 H new ATOM 0 HB3 PRO A 109 -3.270 32.238 8.602 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -4.269 34.410 7.762 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -4.102 34.228 9.497 1.00 25.00 H new ATOM 0 HD2 PRO A 109 -2.412 35.743 7.585 1.00 25.00 H new ATOM 0 HD3 PRO A 109 -3.050 36.234 9.142 1.00 25.00 H new ATOM 1644 N LEU A 110 0.750 32.848 8.925 1.00 25.00 N ATOM 1645 CA LEU A 110 1.901 32.011 8.631 1.00 25.00 C ATOM 1646 C LEU A 110 1.830 30.437 8.707 1.00 25.00 C ATOM 1647 O LEU A 110 2.038 29.745 7.689 1.00 25.00 O ATOM 1648 CB LEU A 110 3.025 32.495 9.555 1.00 25.00 C ATOM 1649 CG LEU A 110 4.468 31.972 9.446 1.00 25.00 C ATOM 1650 CD1 LEU A 110 5.425 32.904 10.182 1.00 50.00 C ATOM 1651 CD2 LEU A 110 4.796 30.434 9.767 1.00 50.00 C ATOM 0 H LEU A 110 0.996 33.822 9.101 1.00 25.00 H new ATOM 0 HA LEU A 110 2.032 32.145 7.557 1.00 25.00 H new ATOM 0 HB2 LEU A 110 3.077 33.578 9.442 1.00 25.00 H new ATOM 0 HB3 LEU A 110 2.697 32.296 10.575 1.00 25.00 H new ATOM 0 HG LEU A 110 4.620 31.982 8.367 1.00 25.00 H new ATOM 0 HD11 LEU A 110 6.442 32.522 10.097 1.00 50.00 H new ATOM 0 HD12 LEU A 110 5.373 33.900 9.742 1.00 50.00 H new ATOM 0 HD13 LEU A 110 5.144 32.957 11.234 1.00 50.00 H new ATOM 0 HD21 LEU A 110 5.863 30.255 9.636 1.00 50.00 H new ATOM 0 HD22 LEU A 110 4.514 30.209 10.795 1.00 50.00 H new ATOM 0 HD23 LEU A 110 4.234 29.793 9.088 1.00 50.00 H new ATOM 1663 N LYS A 111 1.334 29.738 9.757 1.00 25.00 N ATOM 1664 CA LYS A 111 1.278 28.268 9.771 1.00 25.00 C ATOM 1665 C LYS A 111 0.166 27.717 8.966 1.00 25.00 C ATOM 1666 O LYS A 111 0.209 26.536 8.749 1.00 25.00 O ATOM 1667 CB LYS A 111 1.238 27.746 11.194 1.00 25.00 C ATOM 1668 CG LYS A 111 2.553 28.094 12.027 1.00 25.00 C ATOM 1669 CD LYS A 111 2.329 27.741 13.500 1.00 25.00 C ATOM 1670 CE LYS A 111 1.277 28.671 14.123 1.00 25.00 C ATOM 1671 NZ LYS A 111 1.082 28.469 15.512 1.00 25.00 N1+ ATOM 0 H LYS A 111 0.968 30.176 10.603 1.00 25.00 H new ATOM 0 HA LYS A 111 2.194 27.918 9.295 1.00 25.00 H new ATOM 0 HB2 LYS A 111 0.371 28.166 11.704 1.00 25.00 H new ATOM 0 HB3 LYS A 111 1.104 26.664 11.174 1.00 25.00 H new ATOM 0 HG2 LYS A 111 3.404 27.538 11.634 1.00 25.00 H new ATOM 0 HG3 LYS A 111 2.791 29.153 11.927 1.00 25.00 H new ATOM 0 HD2 LYS A 111 2.003 26.704 13.586 1.00 25.00 H new ATOM 0 HD3 LYS A 111 3.268 27.826 14.047 1.00 25.00 H new ATOM 0 HE2 LYS A 111 1.576 29.706 13.955 1.00 25.00 H new ATOM 0 HE3 LYS A 111 0.327 28.526 13.608 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 0.360 29.131 15.861 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 0.767 27.492 15.680 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 1.976 28.636 16.016 1.00 25.00 H new ATOM 1685 N ARG A 112 -0.745 28.521 8.470 1.00 25.00 N ATOM 1686 CA ARG A 112 -1.702 28.208 7.431 1.00 25.00 C ATOM 1687 C ARG A 112 -1.444 28.875 6.123 1.00 25.00 C ATOM 1688 O ARG A 112 -1.577 28.217 5.088 1.00 25.00 O ATOM 1689 CB ARG A 112 -3.102 28.626 7.862 1.00 25.00 C ATOM 1690 CG ARG A 112 -3.586 27.839 9.135 1.00 25.00 C ATOM 1691 CD ARG A 112 -5.066 28.217 9.588 1.00 25.00 C ATOM 1692 NE ARG A 112 -6.141 27.801 8.703 1.00 25.00 N ATOM 1693 CZ ARG A 112 -7.401 28.172 8.770 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -8.130 27.725 7.827 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -7.924 28.849 9.759 1.00 25.00 N ATOM 0 H ARG A 112 -0.845 29.479 8.805 1.00 25.00 H new ATOM 0 HA ARG A 112 -1.605 27.132 7.289 1.00 25.00 H new ATOM 0 HB2 ARG A 112 -3.113 29.696 8.071 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -3.800 28.454 7.043 1.00 25.00 H new ATOM 0 HG2 ARG A 112 -3.538 26.769 8.932 1.00 25.00 H new ATOM 0 HG3 ARG A 112 -2.900 28.038 9.958 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -5.244 27.780 10.570 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -5.121 29.299 9.706 1.00 25.00 H new ATOM 0 HE ARG A 112 -5.893 27.155 7.953 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -7.722 27.132 7.104 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -9.122 27.960 7.794 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -7.344 29.126 10.551 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -8.912 29.100 9.739 1.00 25.00 H new ATOM 1709 N ALA A 113 -1.061 30.115 6.237 1.00 25.00 N ATOM 1710 CA ALA A 113 -0.775 30.799 4.989 1.00 25.00 C ATOM 1711 C ALA A 113 0.603 30.469 4.385 1.00 25.00 C ATOM 1712 O ALA A 113 1.050 31.048 3.428 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.902 32.291 5.237 1.00 25.00 C ATOM 0 H ALA A 113 -0.943 30.646 7.100 1.00 25.00 H new ATOM 0 HA ALA A 113 -1.495 30.450 4.249 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -0.692 32.832 4.315 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.915 32.520 5.570 1.00 25.00 H new ATOM 0 HB3 ALA A 113 -0.191 32.594 6.005 1.00 25.00 H new ATOM 1719 N ASP A 114 1.195 29.441 4.894 1.00 25.00 N ATOM 1720 CA ASP A 114 2.377 28.841 4.295 1.00 25.00 C ATOM 1721 C ASP A 114 1.993 28.257 2.967 1.00 25.00 C ATOM 1722 O ASP A 114 2.784 28.220 2.063 1.00 25.00 O ATOM 1723 CB ASP A 114 2.879 27.723 5.215 1.00 25.00 C ATOM 1724 CG ASP A 114 3.571 26.622 4.460 1.00 25.00 C ATOM 1725 OD1 ASP A 114 3.059 25.543 4.407 1.00 25.00 O ATOM 1726 OD2 ASP A 114 4.749 26.837 4.054 1.00 25.00 O1- ATOM 0 H ASP A 114 0.882 28.977 5.746 1.00 25.00 H new ATOM 0 HA ASP A 114 3.160 29.587 4.161 1.00 25.00 H new ATOM 0 HB2 ASP A 114 3.566 28.143 5.950 1.00 25.00 H new ATOM 0 HB3 ASP A 114 2.037 27.306 5.768 1.00 25.00 H new ATOM 1731 N PHE A 115 0.709 27.883 2.842 1.00 25.00 N ATOM 1732 CA PHE A 115 0.242 27.155 1.713 1.00 25.00 C ATOM 1733 C PHE A 115 -1.107 27.543 1.065 1.00 25.00 C ATOM 1734 O PHE A 115 -1.880 28.387 1.527 1.00 25.00 O ATOM 1735 CB PHE A 115 0.084 25.728 2.187 1.00 25.00 C ATOM 1736 CG PHE A 115 -0.851 25.558 3.383 1.00 25.00 C ATOM 1737 CD1 PHE A 115 -0.305 25.312 4.698 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -2.255 25.531 3.225 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -1.117 25.108 5.763 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -3.182 25.328 4.333 1.00 25.00 C ATOM 1741 CZ PHE A 115 -2.601 25.044 5.634 1.00 25.00 C ATOM 0 H PHE A 115 -0.011 28.090 3.534 1.00 25.00 H new ATOM 0 HA PHE A 115 0.976 27.360 0.934 1.00 25.00 H new ATOM 0 HB2 PHE A 115 -0.290 25.123 1.361 1.00 25.00 H new ATOM 0 HB3 PHE A 115 1.066 25.335 2.451 1.00 25.00 H new ATOM 0 HD1 PHE A 115 0.766 25.290 4.834 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -2.662 25.668 2.234 1.00 50.00 H new ATOM 0 HE1 PHE A 115 -0.674 24.987 6.740 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -4.251 25.386 4.193 1.00 25.00 H new ATOM 0 HZ PHE A 115 -3.224 24.795 6.480 1.00 25.00 H new ATOM 1751 N GLU A 116 -1.387 26.897 -0.031 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.677 27.021 -0.743 1.00 25.00 C ATOM 1753 C GLU A 116 -3.241 25.606 -0.970 1.00 25.00 C ATOM 1754 O GLU A 116 -2.542 24.787 -1.588 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.375 27.584 -2.135 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.986 29.023 -2.149 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.109 30.007 -1.835 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -2.858 31.228 -1.858 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.230 29.638 -1.505 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.734 26.255 -0.480 1.00 25.00 H new ATOM 0 HA GLU A 116 -3.369 27.646 -0.178 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.572 26.999 -2.583 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.255 27.452 -2.765 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.183 29.172 -1.427 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.580 29.263 -3.132 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.506 25.324 -0.609 1.00 25.00 N ATOM 1767 CA LEU A 117 -5.157 24.048 -0.889 1.00 25.00 C ATOM 1768 C LEU A 117 -5.355 24.075 -2.395 1.00 25.00 C ATOM 1769 O LEU A 117 -5.997 25.010 -2.871 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.529 23.950 -0.110 1.00 25.00 C ATOM 1771 CG LEU A 117 -7.261 22.637 -0.329 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.481 21.373 0.184 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.676 22.645 0.304 1.00 50.00 C ATOM 0 H LEU A 117 -5.102 25.985 -0.112 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.580 23.181 -0.569 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -6.342 24.078 0.956 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -7.174 24.772 -0.422 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.342 22.557 -1.413 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -7.072 20.478 -0.010 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.527 21.298 -0.337 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.303 21.465 1.255 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -9.161 21.686 0.122 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.593 22.812 1.378 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -9.270 23.443 -0.142 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.834 23.078 -3.126 1.00 25.00 N ATOM 1786 CA ILE A 118 -4.949 23.117 -4.605 1.00 25.00 C ATOM 1787 C ILE A 118 -5.988 22.116 -5.014 1.00 25.00 C ATOM 1788 O ILE A 118 -6.553 22.160 -6.097 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.543 22.934 -5.319 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -2.900 21.561 -4.917 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -2.604 24.161 -5.118 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -1.850 21.073 -5.799 1.00 25.00 C ATOM 0 H ILE A 118 -4.348 22.266 -2.746 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.278 24.101 -4.938 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.707 22.899 -6.396 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -2.490 21.653 -3.911 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -3.689 20.811 -4.872 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -1.657 23.982 -5.627 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.076 25.052 -5.532 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -2.421 24.309 -4.054 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -1.477 20.119 -5.427 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.252 20.939 -6.803 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -1.034 21.795 -5.828 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.396 21.240 -4.110 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.518 20.314 -4.229 1.00 25.00 C ATOM 1806 C GLY A 119 -7.737 19.366 -3.086 1.00 25.00 C ATOM 1807 O GLY A 119 -6.787 19.116 -2.345 1.00 25.00 O ATOM 0 H GLY A 119 -5.922 21.149 -3.212 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.428 20.898 -4.365 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.379 19.726 -5.136 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.981 18.936 -2.940 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.352 18.013 -1.832 1.00 25.00 C ATOM 1813 C ALA A 120 -10.319 16.993 -2.323 1.00 25.00 C ATOM 1814 O ALA A 120 -11.245 17.313 -3.092 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.980 18.805 -0.728 1.00 25.00 C ATOM 0 H ALA A 120 -9.753 19.195 -3.554 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.459 17.508 -1.465 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -10.255 18.137 0.088 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -9.271 19.549 -0.365 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.872 19.307 -1.102 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.185 15.743 -1.903 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.214 14.697 -2.110 1.00 25.00 C ATOM 1823 C VAL A 121 -11.560 13.787 -0.876 1.00 25.00 C ATOM 1824 O VAL A 121 -10.858 12.879 -0.434 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.716 13.784 -3.239 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.875 12.814 -3.697 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.210 14.510 -4.503 1.00 50.00 C ATOM 0 H VAL A 121 -9.360 15.410 -1.405 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.135 15.237 -2.328 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.866 13.259 -2.804 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.514 12.169 -4.498 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.192 12.201 -2.853 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.720 13.401 -4.056 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.882 13.775 -5.238 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.016 15.110 -4.925 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.374 15.158 -4.240 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.701 14.021 -0.215 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.110 13.159 0.883 1.00 25.00 C ATOM 1839 C PRO A 122 -13.657 11.849 0.301 1.00 25.00 C ATOM 1840 O PRO A 122 -14.158 11.788 -0.845 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.155 13.992 1.566 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.769 14.728 0.501 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.744 15.090 -0.499 1.00 25.00 C ATOM 0 HA PRO A 122 -12.323 12.859 1.575 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.880 13.370 2.090 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.712 14.658 2.307 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.552 14.130 0.035 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.245 15.627 0.892 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.123 15.040 -1.520 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.357 16.098 -0.351 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.620 10.821 1.150 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.267 9.564 0.822 1.00 25.00 C ATOM 1853 C HIS A 123 -15.718 9.631 1.138 1.00 25.00 C ATOM 1854 O HIS A 123 -16.179 9.564 2.285 1.00 25.00 O ATOM 1855 CB HIS A 123 -13.523 8.411 1.579 1.00 25.00 C ATOM 1856 CG HIS A 123 -13.903 7.084 1.053 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -15.215 6.586 1.104 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -13.217 6.050 0.402 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -15.316 5.463 0.404 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -14.111 5.070 0.032 1.00 25.00 N ATOM 0 H HIS A 123 -13.154 10.839 2.057 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.203 9.360 -0.247 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.446 8.547 1.482 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -13.757 8.463 2.642 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -12.153 6.025 0.219 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -16.239 4.951 0.175 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -13.883 4.197 -0.444 1.00 25.00 H new ATOM 1868 N ASP A 124 -16.498 9.721 0.111 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.951 9.917 0.306 1.00 25.00 C ATOM 1870 C ASP A 124 -18.930 9.202 -0.564 1.00 25.00 C ATOM 1871 O ASP A 124 -19.873 8.692 -0.032 1.00 25.00 O ATOM 1872 CB ASP A 124 -18.219 11.434 0.274 1.00 25.00 C ATOM 1873 CG ASP A 124 -19.714 11.768 0.258 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -20.385 11.481 1.307 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -20.212 12.194 -0.762 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.192 9.667 -0.861 1.00 25.00 H new ATOM 0 HA ASP A 124 -18.149 9.432 1.262 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -17.756 11.899 1.144 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -17.745 11.864 -0.608 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.772 9.169 -1.865 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.730 8.538 -2.706 1.00 25.00 C ATOM 1882 C GLY A 125 -19.566 9.187 -4.070 1.00 25.00 C ATOM 1883 O GLY A 125 -18.843 10.149 -4.111 1.00 25.00 O ATOM 0 H GLY A 125 -17.978 9.579 -2.357 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -19.557 7.463 -2.760 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -20.741 8.679 -2.324 1.00 25.00 H new ATOM 1887 N SER A 126 -20.289 8.725 -5.109 1.00 25.00 N ATOM 1888 CA SER A 126 -20.232 9.257 -6.486 1.00 25.00 C ATOM 1889 C SER A 126 -18.891 9.240 -7.253 1.00 25.00 C ATOM 1890 O SER A 126 -17.799 9.179 -6.645 1.00 25.00 O ATOM 1891 CB SER A 126 -20.845 10.656 -6.451 1.00 25.00 C ATOM 1892 OG SER A 126 -19.762 11.585 -6.284 1.00 25.00 O ATOM 0 H SER A 126 -20.946 7.951 -5.012 1.00 25.00 H new ATOM 0 HA SER A 126 -20.794 8.543 -7.088 1.00 25.00 H new ATOM 0 HB2 SER A 126 -21.390 10.861 -7.372 1.00 25.00 H new ATOM 0 HB3 SER A 126 -21.558 10.744 -5.632 1.00 25.00 H new ATOM 0 HG SER A 126 -19.213 11.313 -5.519 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.938 9.386 -8.615 1.00 25.00 N ATOM 1899 CA PRO A 127 -17.625 9.391 -9.234 1.00 25.00 C ATOM 1900 C PRO A 127 -16.730 10.561 -9.000 1.00 25.00 C ATOM 1901 O PRO A 127 -15.613 10.619 -9.487 1.00 25.00 O ATOM 1902 CB PRO A 127 -17.973 9.207 -10.689 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.346 9.904 -10.840 1.00 25.00 C ATOM 1904 CD PRO A 127 -20.055 9.495 -9.589 1.00 25.00 C ATOM 0 HA PRO A 127 -16.998 8.620 -8.787 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -17.223 9.659 -11.338 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -18.030 8.151 -10.955 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.246 10.987 -10.914 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -19.874 9.571 -11.733 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -20.794 10.234 -9.280 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -20.582 8.549 -9.711 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.197 11.502 -8.199 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.372 12.626 -7.750 1.00 25.00 C ATOM 1914 C ALA A 128 -15.392 12.157 -6.703 1.00 25.00 C ATOM 1915 O ALA A 128 -14.194 12.483 -6.687 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.216 13.739 -7.123 1.00 25.00 C ATOM 0 H ALA A 128 -18.151 11.516 -7.839 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.859 13.014 -8.630 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.565 14.553 -6.804 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.930 14.112 -7.857 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -17.755 13.345 -6.261 1.00 25.00 H new ATOM 1922 N SER A 129 -15.780 11.331 -5.737 1.00 25.00 N ATOM 1923 CA SER A 129 -14.806 10.894 -4.785 1.00 25.00 C ATOM 1924 C SER A 129 -13.899 9.795 -5.367 1.00 25.00 C ATOM 1925 O SER A 129 -12.723 9.626 -5.025 1.00 25.00 O ATOM 1926 CB SER A 129 -15.509 10.310 -3.597 1.00 25.00 C ATOM 1927 OG SER A 129 -14.595 9.755 -2.716 1.00 25.00 O ATOM 0 H SER A 129 -16.725 10.971 -5.606 1.00 25.00 H new ATOM 0 HA SER A 129 -14.199 11.758 -4.513 1.00 25.00 H new ATOM 0 HB2 SER A 129 -16.086 11.085 -3.092 1.00 25.00 H new ATOM 0 HB3 SER A 129 -16.216 9.548 -3.924 1.00 25.00 H new ATOM 0 HG SER A 129 -14.318 10.431 -2.063 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.459 9.051 -6.352 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.737 7.981 -7.046 1.00 25.00 C ATOM 1935 C ARG A 130 -12.579 8.430 -7.920 1.00 25.00 C ATOM 1936 O ARG A 130 -11.628 7.749 -8.219 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.806 7.177 -7.753 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.639 5.657 -7.850 1.00 25.00 C ATOM 1939 CD ARG A 130 -13.517 5.151 -8.720 1.00 25.00 C ATOM 1940 NE ARG A 130 -13.694 5.539 -10.112 1.00 25.00 N ATOM 1941 CZ ARG A 130 -14.429 4.898 -11.018 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -14.680 5.529 -12.157 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -14.851 3.663 -10.857 1.00 25.00 N ATOM 0 H ARG A 130 -15.416 9.182 -6.678 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.191 7.363 -6.334 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.754 7.374 -7.252 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.895 7.565 -8.768 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.491 5.267 -6.843 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -15.573 5.236 -8.221 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -12.568 5.541 -8.352 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -13.464 4.065 -8.650 1.00 25.00 H new ATOM 0 HE ARG A 130 -13.209 6.381 -10.422 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -14.314 6.468 -12.311 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -15.239 5.075 -12.879 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -14.617 3.151 -10.006 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -15.412 3.217 -11.583 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.681 9.740 -8.270 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.654 10.291 -9.159 1.00 25.00 C ATOM 1959 C ASN A 131 -10.270 10.224 -8.494 1.00 25.00 C ATOM 1960 O ASN A 131 -10.101 10.716 -7.388 1.00 25.00 O ATOM 1961 CB ASN A 131 -11.923 11.792 -9.511 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.094 12.019 -10.451 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.273 11.261 -11.398 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.786 13.109 -10.265 1.00 25.00 N ATOM 0 H ASN A 131 -13.412 10.385 -7.970 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.685 9.689 -10.067 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.103 12.342 -8.587 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.024 12.213 -9.962 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.519 13.367 -10.926 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.594 13.703 -9.459 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.322 9.664 -9.175 1.00 25.00 N ATOM 1972 CA LEU A 132 -7.958 9.439 -8.673 1.00 25.00 C ATOM 1973 C LEU A 132 -7.019 10.154 -9.641 1.00 25.00 C ATOM 1974 O LEU A 132 -5.791 10.025 -9.572 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.643 7.909 -8.568 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.526 7.357 -7.610 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.573 8.120 -6.194 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.545 5.874 -7.586 1.00 75.00 C ATOM 0 H LEU A 132 -9.456 9.331 -10.130 1.00 25.00 H new ATOM 0 HA LEU A 132 -7.835 9.834 -7.665 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.573 7.414 -8.286 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.393 7.569 -9.573 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.530 7.588 -7.989 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.793 7.726 -5.542 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.411 9.187 -6.350 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.547 7.965 -5.729 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.765 5.511 -6.917 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.516 5.528 -7.232 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.368 5.492 -8.591 1.00 75.00 H new ATOM 1990 N SER A 133 -7.575 10.867 -10.629 1.00 25.00 N ATOM 1991 CA SER A 133 -6.810 11.617 -11.595 1.00 25.00 C ATOM 1992 C SER A 133 -7.441 12.943 -11.538 1.00 25.00 C ATOM 1993 O SER A 133 -8.667 13.013 -11.403 1.00 25.00 O ATOM 1994 CB SER A 133 -6.943 10.991 -13.012 1.00 25.00 C ATOM 1995 OG SER A 133 -6.306 11.851 -13.969 1.00 25.00 O ATOM 0 H SER A 133 -8.583 10.931 -10.769 1.00 25.00 H new ATOM 0 HA SER A 133 -5.740 11.638 -11.387 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.484 10.003 -13.031 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.994 10.859 -13.267 1.00 25.00 H new ATOM 0 HG SER A 133 -5.341 11.679 -13.972 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.696 14.055 -11.519 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.222 15.417 -11.366 1.00 25.00 C ATOM 2003 C HIS A 134 -6.296 16.315 -12.159 1.00 25.00 C ATOM 2004 O HIS A 134 -5.139 15.960 -12.447 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.091 15.861 -9.908 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.982 15.040 -8.995 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -7.562 13.900 -8.313 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -9.306 15.141 -8.661 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -8.605 13.403 -7.631 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -9.648 14.140 -7.841 1.00 25.00 N ATOM 0 H HIS A 134 -5.681 14.031 -11.612 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.263 15.461 -11.687 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.053 15.764 -9.589 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.354 16.915 -9.823 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.975 15.914 -9.008 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -8.578 12.524 -7.004 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -10.576 13.984 -7.447 1.00 25.00 H new ATOM 2018 N HIS A 135 -6.821 17.431 -12.623 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.122 18.358 -13.478 1.00 25.00 C ATOM 2020 C HIS A 135 -5.885 19.642 -12.685 1.00 25.00 C ATOM 2021 O HIS A 135 -6.834 20.090 -12.069 1.00 25.00 O ATOM 2022 CB HIS A 135 -6.964 18.549 -14.741 1.00 25.00 C ATOM 2023 CG HIS A 135 -7.124 17.338 -15.583 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -6.278 17.054 -16.680 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.088 16.404 -15.655 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -6.820 16.026 -17.348 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -7.868 15.597 -16.724 1.00 25.00 N ATOM 0 H HIS A 135 -7.774 17.723 -12.407 1.00 25.00 H new ATOM 0 HA HIS A 135 -5.143 17.999 -13.797 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -7.953 18.902 -14.449 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -6.511 19.335 -15.345 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -8.914 16.310 -14.966 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -6.438 15.616 -18.271 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -8.433 14.790 -16.990 1.00 25.00 H new ATOM 2035 N ILE A 136 -4.644 20.106 -12.580 1.00 25.00 N ATOM 2036 CA ILE A 136 -4.340 21.297 -11.769 1.00 25.00 C ATOM 2037 C ILE A 136 -3.701 22.351 -12.663 1.00 25.00 C ATOM 2038 O ILE A 136 -2.839 21.908 -13.372 1.00 25.00 O ATOM 2039 CB ILE A 136 -3.431 21.019 -10.538 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.107 19.916 -9.676 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -3.152 22.324 -9.753 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.352 20.369 -8.814 1.00 25.00 C ATOM 0 H ILE A 136 -3.835 19.686 -13.038 1.00 25.00 H new ATOM 0 HA ILE A 136 -5.287 21.647 -11.358 1.00 25.00 H new ATOM 0 HB ILE A 136 -2.453 20.655 -10.853 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.424 19.110 -10.338 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -3.357 19.500 -9.003 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -2.514 22.104 -8.897 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -2.651 23.040 -10.404 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.094 22.748 -9.405 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.738 19.516 -8.256 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.047 21.150 -8.117 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.130 20.754 -9.473 1.00 25.00 H new ATOM 2054 N TYR A 137 -4.203 23.589 -12.631 1.00 25.00 N ATOM 2055 CA TYR A 137 -3.621 24.713 -13.363 1.00 25.00 C ATOM 2056 C TYR A 137 -2.353 25.235 -12.774 1.00 25.00 C ATOM 2057 O TYR A 137 -2.239 25.380 -11.601 1.00 25.00 O ATOM 2058 CB TYR A 137 -4.724 25.791 -13.389 1.00 25.00 C ATOM 2059 CG TYR A 137 -4.281 26.916 -14.278 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -3.965 28.102 -13.661 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -4.154 26.838 -15.717 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -3.482 29.165 -14.344 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -3.627 27.910 -16.431 1.00 25.00 C ATOM 2064 CZ TYR A 137 -3.341 29.088 -15.689 1.00 25.00 C ATOM 2065 OH TYR A 137 -2.872 30.172 -16.286 1.00 25.00 O ATOM 0 H TYR A 137 -5.032 23.839 -12.091 1.00 25.00 H new ATOM 0 HA TYR A 137 -3.322 24.395 -14.362 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -5.658 25.366 -13.756 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -4.915 26.159 -12.381 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -4.107 28.189 -12.594 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -4.469 25.946 -16.238 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -3.210 30.070 -13.820 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -3.445 27.850 -17.494 1.00 25.00 H new ATOM 0 HH TYR A 137 -2.777 30.002 -17.246 1.00 25.00 H new ATOM 2075 N ILE A 138 -1.406 25.474 -13.656 1.00 25.00 N ATOM 2076 CA ILE A 138 -0.082 26.022 -13.294 1.00 25.00 C ATOM 2077 C ILE A 138 0.034 27.463 -13.908 1.00 25.00 C ATOM 2078 O ILE A 138 -0.214 27.556 -15.126 1.00 25.00 O ATOM 2079 CB ILE A 138 1.020 25.080 -13.808 1.00 25.00 C ATOM 2080 CG1 ILE A 138 0.848 23.558 -13.362 1.00 25.00 C ATOM 2081 CG2 ILE A 138 2.401 25.586 -13.285 1.00 25.00 C ATOM 2082 CD1 ILE A 138 0.563 23.266 -11.958 1.00 25.00 C ATOM 0 H ILE A 138 -1.517 25.298 -14.655 1.00 25.00 H new ATOM 0 HA ILE A 138 0.036 26.095 -12.213 1.00 25.00 H new ATOM 0 HB ILE A 138 0.951 25.100 -14.896 1.00 25.00 H new ATOM 0 HG12 ILE A 138 0.044 23.127 -13.959 1.00 25.00 H new ATOM 0 HG13 ILE A 138 1.763 23.029 -13.631 1.00 25.00 H new ATOM 0 HG21 ILE A 138 3.190 24.925 -13.644 1.00 25.00 H new ATOM 0 HG22 ILE A 138 2.580 26.597 -13.651 1.00 25.00 H new ATOM 0 HG23 ILE A 138 2.398 25.590 -12.195 1.00 25.00 H new ATOM 0 HD11 ILE A 138 0.475 22.188 -11.821 1.00 25.00 H new ATOM 0 HD12 ILE A 138 1.373 23.646 -11.336 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.372 23.746 -11.669 1.00 25.00 H new ATOM 2094 N PRO A 139 0.259 28.508 -13.100 1.00 25.00 N ATOM 2095 CA PRO A 139 0.283 29.806 -13.850 1.00 25.00 C ATOM 2096 C PRO A 139 1.293 29.884 -14.933 1.00 25.00 C ATOM 2097 O PRO A 139 2.419 29.317 -14.941 1.00 25.00 O ATOM 2098 CB PRO A 139 0.551 30.767 -12.705 1.00 25.00 C ATOM 2099 CG PRO A 139 1.263 30.024 -11.659 1.00 25.00 C ATOM 2100 CD PRO A 139 0.629 28.714 -11.672 1.00 25.00 C ATOM 0 HA PRO A 139 -0.627 30.001 -14.417 1.00 25.00 H new ATOM 0 HB2 PRO A 139 1.147 31.613 -13.047 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -0.384 31.172 -12.318 1.00 25.00 H new ATOM 0 HG2 PRO A 139 2.330 29.955 -11.873 1.00 25.00 H new ATOM 0 HG3 PRO A 139 1.164 30.507 -10.687 1.00 25.00 H new ATOM 0 HD2 PRO A 139 1.309 27.938 -11.320 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -0.248 28.688 -11.025 1.00 25.00 H new ATOM 2108 N GLU A 140 0.860 30.652 -15.964 1.00 25.00 N ATOM 2109 CA GLU A 140 1.606 30.770 -17.166 1.00 25.00 C ATOM 2110 C GLU A 140 2.645 31.908 -17.108 1.00 25.00 C ATOM 2111 O GLU A 140 3.525 32.022 -18.010 1.00 25.00 O ATOM 2112 CB GLU A 140 0.520 30.994 -18.209 1.00 25.00 C ATOM 2113 CG GLU A 140 -0.164 29.692 -18.561 1.00 25.00 C ATOM 2114 CD GLU A 140 -1.323 29.882 -19.526 1.00 25.00 C ATOM 2115 OE1 GLU A 140 -1.343 29.391 -20.645 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -2.325 30.467 -19.096 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.009 31.186 -15.952 1.00 25.00 H new ATOM 0 HA GLU A 140 2.221 29.897 -17.383 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -0.214 31.704 -17.829 1.00 25.00 H new ATOM 0 HB3 GLU A 140 0.956 31.435 -19.105 1.00 25.00 H new ATOM 0 HG2 GLU A 140 0.564 29.012 -19.003 1.00 25.00 H new ATOM 0 HG3 GLU A 140 -0.529 29.220 -17.649 1.00 25.00 H new ATOM 2123 N ASP A 141 2.545 32.751 -16.071 1.00 25.00 N ATOM 2124 CA ASP A 141 3.371 33.940 -16.056 1.00 25.00 C ATOM 2125 C ASP A 141 4.395 33.879 -14.975 1.00 25.00 C ATOM 2126 O ASP A 141 5.270 34.737 -14.904 1.00 25.00 O ATOM 2127 CB ASP A 141 2.495 35.232 -15.964 1.00 25.00 C ATOM 2128 CG ASP A 141 1.819 35.337 -14.570 1.00 25.00 C ATOM 2129 OD1 ASP A 141 1.071 34.431 -14.169 1.00 50.00 O ATOM 2130 OD2 ASP A 141 1.969 36.333 -13.919 1.00 50.00 O1- ATOM 0 H ASP A 141 1.925 32.631 -15.270 1.00 25.00 H new ATOM 0 HA ASP A 141 3.913 33.984 -17.001 1.00 25.00 H new ATOM 0 HB2 ASP A 141 3.115 36.111 -16.141 1.00 25.00 H new ATOM 0 HB3 ASP A 141 1.733 35.217 -16.743 1.00 25.00 H new ATOM 2135 N ARG A 142 4.360 32.931 -14.067 1.00 25.00 N ATOM 2136 CA ARG A 142 5.290 32.871 -12.906 1.00 25.00 C ATOM 2137 C ARG A 142 6.304 31.739 -13.032 1.00 25.00 C ATOM 2138 O ARG A 142 6.087 30.782 -13.724 1.00 25.00 O ATOM 2139 CB ARG A 142 4.495 32.762 -11.549 1.00 25.00 C ATOM 2140 CG ARG A 142 3.312 33.606 -11.416 1.00 25.00 C ATOM 2141 CD ARG A 142 2.597 33.239 -10.128 1.00 25.00 C ATOM 2142 NE ARG A 142 1.265 34.002 -10.082 1.00 25.00 N ATOM 2143 CZ ARG A 142 0.294 33.862 -9.239 1.00 25.00 C ATOM 2144 NH1 ARG A 142 -0.811 34.512 -9.470 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 0.259 32.959 -8.281 1.00 25.00 N ATOM 0 H ARG A 142 3.689 32.163 -14.092 1.00 25.00 H new ATOM 0 HA ARG A 142 5.852 33.805 -12.904 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.190 31.724 -11.415 1.00 25.00 H new ATOM 0 HB3 ARG A 142 5.178 33.001 -10.734 1.00 25.00 H new ATOM 0 HG2 ARG A 142 3.597 34.658 -11.404 1.00 25.00 H new ATOM 0 HG3 ARG A 142 2.649 33.465 -12.270 1.00 25.00 H new ATOM 0 HD2 ARG A 142 2.421 32.164 -10.085 1.00 25.00 H new ATOM 0 HD3 ARG A 142 3.212 33.496 -9.266 1.00 25.00 H new ATOM 0 HE ARG A 142 1.129 34.707 -10.806 1.00 25.00 H new ATOM 0 HH11 ARG A 142 -0.890 35.108 -10.294 1.00 25.00 H new ATOM 0 HH12 ARG A 142 -1.598 34.425 -8.827 1.00 25.00 H new ATOM 0 HH21 ARG A 142 1.035 32.307 -8.166 1.00 25.00 H new ATOM 0 HH22 ARG A 142 -0.544 32.911 -7.654 1.00 25.00 H new ATOM 2159 N LEU A 143 7.394 31.857 -12.263 1.00 25.00 N ATOM 2160 CA LEU A 143 8.536 30.921 -12.143 1.00 25.00 C ATOM 2161 C LEU A 143 8.884 30.859 -10.697 1.00 25.00 C ATOM 2162 O LEU A 143 8.954 31.874 -9.984 1.00 25.00 O ATOM 2163 CB LEU A 143 9.768 31.617 -12.805 1.00 25.00 C ATOM 2164 CG LEU A 143 9.947 31.333 -14.298 1.00 25.00 C ATOM 2165 CD1 LEU A 143 9.186 32.356 -15.227 1.00 50.00 C ATOM 2166 CD2 LEU A 143 11.458 31.301 -14.695 1.00 50.00 C ATOM 0 H LEU A 143 7.517 32.670 -11.659 1.00 25.00 H new ATOM 0 HA LEU A 143 8.300 29.951 -12.580 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.677 32.694 -12.664 1.00 25.00 H new ATOM 0 HB3 LEU A 143 10.670 31.302 -12.280 1.00 25.00 H new ATOM 0 HG LEU A 143 9.503 30.350 -14.458 1.00 25.00 H new ATOM 0 HD11 LEU A 143 9.356 32.095 -16.272 1.00 50.00 H new ATOM 0 HD12 LEU A 143 8.118 32.317 -15.013 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.557 33.364 -15.039 1.00 50.00 H new ATOM 0 HD21 LEU A 143 11.550 31.097 -15.762 1.00 50.00 H new ATOM 0 HD22 LEU A 143 11.914 32.265 -14.469 1.00 50.00 H new ATOM 0 HD23 LEU A 143 11.966 30.519 -14.131 1.00 50.00 H new ATOM 2178 N GLY A 144 9.056 29.662 -10.208 1.00 25.00 N ATOM 2179 CA GLY A 144 9.425 29.435 -8.829 1.00 25.00 C ATOM 2180 C GLY A 144 9.111 28.110 -8.214 1.00 25.00 C ATOM 2181 O GLY A 144 8.154 27.330 -8.520 1.00 25.00 O ATOM 0 H GLY A 144 8.945 28.808 -10.755 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.500 29.593 -8.744 1.00 25.00 H new ATOM 0 HA3 GLY A 144 8.941 30.203 -8.226 1.00 25.00 H new ATOM 2185 N TYR A 145 10.048 27.831 -7.291 1.00 25.00 N ATOM 2186 CA TYR A 145 10.027 26.634 -6.445 1.00 25.00 C ATOM 2187 C TYR A 145 8.788 26.674 -5.536 1.00 25.00 C ATOM 2188 O TYR A 145 8.412 27.743 -5.014 1.00 25.00 O ATOM 2189 CB TYR A 145 11.370 26.609 -5.660 1.00 25.00 C ATOM 2190 CG TYR A 145 11.366 25.803 -4.374 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.675 26.419 -3.175 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.082 24.413 -4.310 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.612 25.742 -1.973 1.00 25.00 C ATOM 2194 CE2 TYR A 145 11.078 23.678 -3.130 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.341 24.360 -1.925 1.00 25.00 C ATOM 2196 OH TYR A 145 11.368 23.649 -0.729 1.00 25.00 O ATOM 0 H TYR A 145 10.847 28.439 -7.113 1.00 25.00 H new ATOM 0 HA TYR A 145 9.947 25.713 -7.023 1.00 25.00 H new ATOM 0 HB2 TYR A 145 12.145 26.210 -6.315 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.650 27.635 -5.423 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.973 27.457 -3.179 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.856 23.897 -5.231 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.774 26.282 -1.052 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.879 22.616 -3.136 1.00 25.00 H new ATOM 0 HH TYR A 145 11.153 22.709 -0.903 1.00 25.00 H new ATOM 2206 N HIS A 146 8.264 25.482 -5.342 1.00 25.00 N ATOM 2207 CA HIS A 146 7.101 25.225 -4.438 1.00 25.00 C ATOM 2208 C HIS A 146 7.373 23.771 -3.989 1.00 25.00 C ATOM 2209 O HIS A 146 8.177 23.020 -4.621 1.00 25.00 O ATOM 2210 CB HIS A 146 5.763 25.285 -5.137 1.00 25.00 C ATOM 2211 CG HIS A 146 5.459 26.614 -5.691 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.770 27.603 -5.057 1.00 25.00 N ATOM 2213 CD2 HIS A 146 5.731 27.155 -6.929 1.00 25.00 C ATOM 2214 CE1 HIS A 146 4.604 28.674 -5.856 1.00 25.00 C ATOM 2215 NE2 HIS A 146 5.139 28.383 -7.016 1.00 25.00 N ATOM 0 H HIS A 146 8.617 24.641 -5.798 1.00 25.00 H new ATOM 0 HA HIS A 146 7.031 25.969 -3.645 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.747 24.550 -5.942 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.980 25.004 -4.433 1.00 25.00 H new ATOM 0 HD1 HIS A 146 4.424 27.540 -4.100 1.00 25.00 H new ATOM 0 HD2 HIS A 146 6.317 26.684 -7.705 1.00 25.00 H new ATOM 0 HE1 HIS A 146 4.119 29.602 -5.590 1.00 25.00 H new ATOM 2223 N VAL A 147 6.712 23.305 -2.966 1.00 25.00 N ATOM 2224 CA VAL A 147 6.653 21.857 -2.621 1.00 25.00 C ATOM 2225 C VAL A 147 5.193 21.518 -2.699 1.00 25.00 C ATOM 2226 O VAL A 147 4.410 22.319 -2.202 1.00 25.00 O ATOM 2227 CB VAL A 147 7.088 21.647 -1.120 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.223 20.171 -0.794 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.443 22.348 -0.875 1.00 50.00 C ATOM 0 H VAL A 147 6.186 23.899 -2.326 1.00 25.00 H new ATOM 0 HA VAL A 147 7.293 21.260 -3.271 1.00 25.00 H new ATOM 0 HB VAL A 147 6.320 22.076 -0.476 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.524 20.054 0.247 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.266 19.674 -0.953 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.976 19.723 -1.442 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.745 22.204 0.162 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.198 21.921 -1.535 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.343 23.414 -1.079 1.00 50.00 H new ATOM 2239 N ILE A 148 4.759 20.418 -3.273 1.00 25.00 N ATOM 2240 CA ILE A 148 3.416 19.891 -3.082 1.00 25.00 C ATOM 2241 C ILE A 148 3.426 19.191 -1.719 1.00 25.00 C ATOM 2242 O ILE A 148 4.197 18.268 -1.632 1.00 25.00 O ATOM 2243 CB ILE A 148 3.012 18.839 -4.134 1.00 25.00 C ATOM 2244 CG1 ILE A 148 3.378 19.271 -5.562 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.443 18.545 -3.987 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.853 18.376 -6.661 1.00 25.00 C ATOM 0 H ILE A 148 5.334 19.852 -3.896 1.00 25.00 H new ATOM 0 HA ILE A 148 2.708 20.716 -3.163 1.00 25.00 H new ATOM 0 HB ILE A 148 3.574 17.923 -3.951 1.00 25.00 H new ATOM 0 HG12 ILE A 148 3.001 20.280 -5.727 1.00 25.00 H new ATOM 0 HG13 ILE A 148 4.464 19.319 -5.643 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.141 17.802 -4.725 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.236 18.167 -2.986 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.883 19.466 -4.150 1.00 25.00 H new ATOM 0 HD11 ILE A 148 3.166 18.767 -7.629 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.250 17.369 -6.531 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.764 18.345 -6.616 1.00 25.00 H new ATOM 2258 N LEU A 149 2.529 19.510 -0.787 1.00 25.00 N ATOM 2259 CA LEU A 149 2.333 18.787 0.444 1.00 25.00 C ATOM 2260 C LEU A 149 1.042 18.061 0.210 1.00 25.00 C ATOM 2261 O LEU A 149 0.137 18.698 -0.384 1.00 25.00 O ATOM 2262 CB LEU A 149 2.153 19.726 1.621 1.00 25.00 C ATOM 2263 CG LEU A 149 3.092 20.846 2.161 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.550 20.835 1.591 1.00 50.00 C ATOM 2265 CD2 LEU A 149 2.497 22.186 1.894 1.00 50.00 C ATOM 0 H LEU A 149 1.902 20.309 -0.883 1.00 25.00 H new ATOM 0 HA LEU A 149 3.182 18.146 0.680 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.207 20.232 1.426 1.00 25.00 H new ATOM 0 HB3 LEU A 149 1.992 19.068 2.475 1.00 25.00 H new ATOM 0 HG LEU A 149 3.177 20.638 3.228 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.119 21.654 2.031 1.00 50.00 H new ATOM 0 HD12 LEU A 149 5.029 19.887 1.836 1.00 50.00 H new ATOM 0 HD13 LEU A 149 4.518 20.956 0.508 1.00 50.00 H new ATOM 0 HD21 LEU A 149 3.161 22.962 2.275 1.00 50.00 H new ATOM 0 HD22 LEU A 149 2.364 22.318 0.820 1.00 50.00 H new ATOM 0 HD23 LEU A 149 1.530 22.260 2.391 1.00 50.00 H new ATOM 2277 N ALA A 150 0.989 16.772 0.491 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.211 15.974 0.227 1.00 25.00 C ATOM 2279 C ALA A 150 -0.429 15.048 1.473 1.00 25.00 C ATOM 2280 O ALA A 150 0.460 14.506 2.153 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.171 15.291 -1.123 1.00 25.00 C ATOM 0 H ALA A 150 1.761 16.248 0.903 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.098 16.599 0.123 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.085 14.714 -1.266 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.090 16.042 -1.909 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.690 14.624 -1.168 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.677 14.825 1.743 1.00 25.00 N ATOM 2288 CA VAL A 151 -2.028 13.911 2.826 1.00 25.00 C ATOM 2289 C VAL A 151 -3.015 12.890 2.278 1.00 25.00 C ATOM 2290 O VAL A 151 -3.921 13.236 1.515 1.00 25.00 O ATOM 2291 CB VAL A 151 -2.617 14.655 4.034 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.820 13.727 5.236 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -1.681 15.757 4.451 1.00 50.00 C ATOM 0 H VAL A 151 -2.466 15.244 1.251 1.00 25.00 H new ATOM 0 HA VAL A 151 -1.128 13.411 3.185 1.00 25.00 H new ATOM 0 HB VAL A 151 -3.585 15.052 3.729 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -3.238 14.295 6.067 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.505 12.924 4.964 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.862 13.301 5.533 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -2.099 16.285 5.308 1.00 50.00 H new ATOM 0 HG22 VAL A 151 -0.715 15.331 4.723 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.549 16.455 3.624 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.855 11.601 2.650 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.699 10.463 2.207 1.00 25.00 C ATOM 2305 C TRP A 152 -3.910 9.622 3.445 1.00 25.00 C ATOM 2306 O TRP A 152 -3.073 8.911 3.919 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.064 9.683 1.087 1.00 25.00 C ATOM 2308 CG TRP A 152 -4.004 8.714 0.486 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.850 8.949 -0.534 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -4.123 7.332 0.754 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.511 7.791 -0.918 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.959 6.763 -0.226 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -3.379 6.483 1.608 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -5.091 5.355 -0.376 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.487 5.050 1.452 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.342 4.525 0.470 1.00 25.00 C ATOM 0 H TRP A 152 -2.112 11.312 3.287 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.646 10.806 1.791 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.713 10.372 0.319 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.189 9.153 1.464 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.996 9.915 -0.995 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.271 7.725 -1.595 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -2.737 6.902 2.369 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.751 4.936 -1.122 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.915 4.389 2.086 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.425 3.453 0.363 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.041 9.920 4.074 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.427 9.437 5.393 1.00 25.00 C ATOM 2329 C ASP A 153 -6.332 8.221 5.128 1.00 25.00 C ATOM 2330 O ASP A 153 -7.190 8.118 4.206 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.056 10.587 6.162 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.274 10.241 7.593 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.670 9.250 8.038 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -7.118 10.850 8.261 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.744 10.532 3.660 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.607 9.105 6.029 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -5.413 11.464 6.094 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.008 10.853 5.703 1.00 25.00 H new ATOM 2339 N VAL A 154 -6.180 7.281 6.088 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.727 5.944 6.010 1.00 25.00 C ATOM 2341 C VAL A 154 -7.728 5.752 7.122 1.00 25.00 C ATOM 2342 O VAL A 154 -7.426 6.094 8.272 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.440 5.025 6.096 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.814 3.528 5.913 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.494 5.373 4.964 1.00 50.00 C ATOM 0 H VAL A 154 -5.660 7.453 6.949 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.291 5.712 5.106 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.984 5.188 7.072 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.913 2.918 5.976 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -6.511 3.229 6.696 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.281 3.386 4.938 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.608 4.741 5.023 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -4.994 5.210 4.009 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.199 6.419 5.045 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.914 5.310 6.822 1.00 25.00 N ATOM 2356 CA ALA A 155 -10.000 5.082 7.735 1.00 25.00 C ATOM 2357 C ALA A 155 -9.737 3.809 8.591 1.00 25.00 C ATOM 2358 O ALA A 155 -10.145 3.719 9.720 1.00 25.00 O ATOM 2359 CB ALA A 155 -11.317 4.953 6.923 1.00 25.00 C ATOM 0 H ALA A 155 -9.168 5.082 5.861 1.00 25.00 H new ATOM 0 HA ALA A 155 -10.087 5.922 8.424 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -12.149 4.780 7.605 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -11.491 5.872 6.364 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -11.236 4.116 6.229 1.00 25.00 H new ATOM 2365 N ASP A 156 -9.005 2.879 7.987 1.00 25.00 N ATOM 2366 CA ASP A 156 -8.849 1.582 8.517 1.00 25.00 C ATOM 2367 C ASP A 156 -7.950 1.497 9.737 1.00 25.00 C ATOM 2368 O ASP A 156 -7.979 0.509 10.490 1.00 25.00 O ATOM 2369 CB ASP A 156 -8.210 0.668 7.475 1.00 25.00 C ATOM 2370 CG ASP A 156 -9.127 0.231 6.379 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.369 0.231 6.548 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -8.647 -0.224 5.312 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.510 3.033 7.109 1.00 25.00 H new ATOM 0 HA ASP A 156 -9.858 1.285 8.803 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.358 1.184 7.033 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.820 -0.217 7.978 1.00 25.00 H new ATOM 2377 N THR A 157 -7.095 2.499 9.917 1.00 25.00 N ATOM 2378 CA THR A 157 -6.106 2.463 10.974 1.00 25.00 C ATOM 2379 C THR A 157 -5.796 3.930 11.391 1.00 25.00 C ATOM 2380 O THR A 157 -6.135 4.806 10.613 1.00 25.00 O ATOM 2381 CB THR A 157 -4.832 1.711 10.475 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.777 1.865 11.416 1.00 25.00 O ATOM 2383 CG2 THR A 157 -4.316 2.100 9.144 1.00 25.00 C ATOM 0 H THR A 157 -7.072 3.342 9.343 1.00 25.00 H new ATOM 0 HA THR A 157 -6.476 1.922 11.845 1.00 25.00 H new ATOM 0 HB THR A 157 -5.165 0.678 10.376 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.982 1.389 11.097 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.431 1.509 8.910 1.00 25.00 H new ATOM 0 HG22 THR A 157 -5.082 1.921 8.390 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.054 3.158 9.150 1.00 25.00 H new ATOM 2391 N GLU A 158 -5.264 4.159 12.576 1.00 25.00 N ATOM 2392 CA GLU A 158 -4.949 5.518 13.038 1.00 25.00 C ATOM 2393 C GLU A 158 -3.659 6.078 12.399 1.00 25.00 C ATOM 2394 O GLU A 158 -3.326 7.230 12.691 1.00 25.00 O ATOM 2395 CB GLU A 158 -4.831 5.373 14.546 1.00 25.00 C ATOM 2396 CG GLU A 158 -6.117 5.595 15.356 1.00 25.00 C ATOM 2397 CD GLU A 158 -6.564 7.052 15.491 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -6.253 7.695 16.527 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -7.203 7.570 14.538 1.00 25.00 O1- ATOM 0 H GLU A 158 -5.036 3.425 13.247 1.00 25.00 H new ATOM 0 HA GLU A 158 -5.714 6.238 12.748 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -4.458 4.373 14.765 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -4.079 6.078 14.899 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -6.922 5.027 14.890 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -5.973 5.183 16.355 1.00 25.00 H new ATOM 2406 N ASN A 159 -3.009 5.297 11.576 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.784 5.684 10.871 1.00 25.00 C ATOM 2408 C ASN A 159 -2.150 6.008 9.380 1.00 25.00 C ATOM 2409 O ASN A 159 -3.215 5.664 8.932 1.00 25.00 O ATOM 2410 CB ASN A 159 -0.753 4.515 10.849 1.00 25.00 C ATOM 2411 CG ASN A 159 -0.264 4.163 12.213 1.00 25.00 C ATOM 2412 OD1 ASN A 159 -0.327 4.980 13.159 1.00 25.00 O ATOM 2413 ND2 ASN A 159 0.133 2.970 12.449 1.00 25.00 N ATOM 0 H ASN A 159 -3.313 4.347 11.362 1.00 25.00 H new ATOM 0 HA ASN A 159 -1.351 6.542 11.385 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -1.212 3.638 10.393 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.095 4.793 10.223 1.00 25.00 H new ATOM 0 HD21 ASN A 159 0.392 2.697 13.397 1.00 25.00 H new ATOM 0 HD22 ASN A 159 0.190 2.292 11.689 1.00 25.00 H new ATOM 2420 N ALA A 160 -1.321 6.737 8.648 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.671 7.317 7.365 1.00 25.00 C ATOM 2422 C ALA A 160 -0.451 7.402 6.505 1.00 25.00 C ATOM 2423 O ALA A 160 0.561 6.868 6.829 1.00 25.00 O ATOM 2424 CB ALA A 160 -2.224 8.790 7.644 1.00 25.00 C ATOM 0 H ALA A 160 -0.366 6.945 8.938 1.00 25.00 H new ATOM 0 HA ALA A 160 -2.419 6.708 6.856 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -2.499 9.260 6.700 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -3.100 8.733 8.290 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -1.451 9.382 8.133 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.582 8.033 5.330 1.00 25.00 N ATOM 2431 CA PHE A 161 0.565 8.496 4.487 1.00 25.00 C ATOM 2432 C PHE A 161 0.513 10.053 4.485 1.00 25.00 C ATOM 2433 O PHE A 161 -0.538 10.624 4.492 1.00 25.00 O ATOM 2434 CB PHE A 161 0.294 7.891 3.128 1.00 25.00 C ATOM 2435 CG PHE A 161 0.541 6.399 3.059 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.506 5.483 3.362 1.00 50.00 C ATOM 2437 CD2 PHE A 161 1.817 5.981 2.735 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -0.288 4.145 3.347 1.00 25.00 C ATOM 2439 CE2 PHE A 161 2.067 4.585 2.704 1.00 25.00 C ATOM 2440 CZ PHE A 161 1.000 3.677 2.986 1.00 25.00 C ATOM 0 H PHE A 161 -1.491 8.246 4.920 1.00 25.00 H new ATOM 0 HA PHE A 161 1.557 8.202 4.829 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.742 8.091 2.852 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.922 8.388 2.389 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.488 5.859 3.607 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.598 6.693 2.513 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -1.076 3.453 3.604 1.00 25.00 H new ATOM 0 HE2 PHE A 161 3.053 4.212 2.470 1.00 25.00 H new ATOM 0 HZ PHE A 161 1.179 2.614 2.923 1.00 25.00 H new ATOM 2450 N TYR A 162 1.666 10.619 4.399 1.00 25.00 N ATOM 2451 CA TYR A 162 1.859 12.075 4.318 1.00 25.00 C ATOM 2452 C TYR A 162 3.052 12.240 3.455 1.00 25.00 C ATOM 2453 O TYR A 162 4.072 11.570 3.701 1.00 25.00 O ATOM 2454 CB TYR A 162 2.185 12.694 5.704 1.00 25.00 C ATOM 2455 CG TYR A 162 1.028 13.129 6.614 1.00 25.00 C ATOM 2456 CD1 TYR A 162 0.188 12.205 7.198 1.00 50.00 C ATOM 2457 CD2 TYR A 162 0.892 14.517 6.961 1.00 50.00 C ATOM 2458 CE1 TYR A 162 -0.850 12.537 8.117 1.00 25.00 C ATOM 2459 CE2 TYR A 162 -0.137 14.896 7.956 1.00 25.00 C ATOM 2460 CZ TYR A 162 -1.009 13.883 8.482 1.00 25.00 C ATOM 2461 OH TYR A 162 -2.044 14.316 9.315 1.00 25.00 O ATOM 0 H TYR A 162 2.540 10.093 4.381 1.00 25.00 H new ATOM 0 HA TYR A 162 0.959 12.564 3.946 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.783 11.969 6.256 1.00 25.00 H new ATOM 0 HB3 TYR A 162 2.817 13.566 5.535 1.00 25.00 H new ATOM 0 HD1 TYR A 162 0.325 11.164 6.943 1.00 50.00 H new ATOM 0 HD2 TYR A 162 1.525 15.265 6.507 1.00 50.00 H new ATOM 0 HE1 TYR A 162 -1.497 11.773 8.522 1.00 25.00 H new ATOM 0 HE2 TYR A 162 -0.231 15.921 8.282 1.00 25.00 H new ATOM 0 HH TYR A 162 -1.975 15.285 9.446 1.00 25.00 H new ATOM 2471 N GLN A 163 2.932 12.891 2.314 1.00 25.00 N ATOM 2472 CA GLN A 163 3.951 12.804 1.267 1.00 25.00 C ATOM 2473 C GLN A 163 4.192 14.144 0.679 1.00 25.00 C ATOM 2474 O GLN A 163 3.255 14.992 0.737 1.00 25.00 O ATOM 2475 CB GLN A 163 3.561 11.770 0.219 1.00 25.00 C ATOM 2476 CG GLN A 163 2.225 11.888 -0.509 1.00 25.00 C ATOM 2477 CD GLN A 163 1.053 11.441 0.282 1.00 25.00 C ATOM 2478 OE1 GLN A 163 0.136 12.164 0.538 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.073 10.170 0.623 1.00 25.00 N ATOM 0 H GLN A 163 2.139 13.489 2.081 1.00 25.00 H new ATOM 0 HA GLN A 163 4.890 12.466 1.706 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.344 11.766 -0.539 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.581 10.794 0.704 1.00 25.00 H new ATOM 0 HG2 GLN A 163 2.075 12.927 -0.801 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.273 11.302 -1.427 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.877 9.590 0.383 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.284 9.765 1.127 1.00 25.00 H new ATOM 2488 N VAL A 164 5.395 14.355 0.151 1.00 25.00 N ATOM 2489 CA VAL A 164 5.792 15.674 -0.392 1.00 25.00 C ATOM 2490 C VAL A 164 6.486 15.448 -1.784 1.00 25.00 C ATOM 2491 O VAL A 164 7.156 14.448 -2.054 1.00 25.00 O ATOM 2492 CB VAL A 164 6.801 16.572 0.468 1.00 25.00 C ATOM 2493 CG1 VAL A 164 6.130 17.182 1.718 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.139 15.902 0.743 1.00 75.00 C ATOM 0 H VAL A 164 6.118 13.639 0.083 1.00 25.00 H new ATOM 0 HA VAL A 164 4.853 16.228 -0.413 1.00 25.00 H new ATOM 0 HB VAL A 164 7.060 17.420 -0.166 1.00 25.00 H new ATOM 0 HG11 VAL A 164 6.857 17.781 2.266 1.00 75.00 H new ATOM 0 HG12 VAL A 164 5.296 17.814 1.412 1.00 75.00 H new ATOM 0 HG13 VAL A 164 5.762 16.382 2.360 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.767 16.572 1.330 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.976 14.978 1.298 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.633 15.675 -0.202 1.00 75.00 H new ATOM 2504 N ILE A 165 6.367 16.481 -2.632 1.00 25.00 N ATOM 2505 CA ILE A 165 7.079 16.449 -3.931 1.00 25.00 C ATOM 2506 C ILE A 165 7.580 17.864 -4.140 1.00 25.00 C ATOM 2507 O ILE A 165 6.786 18.748 -4.286 1.00 25.00 O ATOM 2508 CB ILE A 165 6.157 16.050 -5.152 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.376 14.773 -4.925 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.921 15.934 -6.445 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.177 14.550 -5.802 1.00 25.00 C ATOM 0 H ILE A 165 5.811 17.318 -2.459 1.00 25.00 H new ATOM 0 HA ILE A 165 7.865 15.695 -3.895 1.00 25.00 H new ATOM 0 HB ILE A 165 5.448 16.874 -5.231 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.055 13.931 -5.057 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.046 14.756 -3.886 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.238 15.658 -7.248 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.388 16.891 -6.679 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.691 15.169 -6.345 1.00 25.00 H new ATOM 0 HD11 ILE A 165 3.706 13.603 -5.540 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.464 15.362 -5.657 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.490 14.523 -6.846 1.00 25.00 H new ATOM 2523 N ASP A 166 8.844 18.085 -4.294 1.00 25.00 N ATOM 2524 CA ASP A 166 9.388 19.376 -4.680 1.00 25.00 C ATOM 2525 C ASP A 166 9.106 19.602 -6.196 1.00 25.00 C ATOM 2526 O ASP A 166 9.220 18.644 -6.995 1.00 25.00 O ATOM 2527 CB ASP A 166 10.899 19.353 -4.501 1.00 25.00 C ATOM 2528 CG ASP A 166 11.322 19.714 -3.098 1.00 25.00 C ATOM 2529 OD1 ASP A 166 12.401 20.386 -2.958 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.724 19.244 -2.099 1.00 25.00 O1- ATOM 0 H ASP A 166 9.555 17.367 -4.156 1.00 25.00 H new ATOM 0 HA ASP A 166 8.936 20.159 -4.071 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.275 18.360 -4.746 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.355 20.049 -5.205 1.00 25.00 H new ATOM 2535 N VAL A 167 8.809 20.827 -6.536 1.00 25.00 N ATOM 2536 CA VAL A 167 8.557 21.175 -7.942 1.00 25.00 C ATOM 2537 C VAL A 167 9.083 22.541 -8.224 1.00 25.00 C ATOM 2538 O VAL A 167 9.359 23.329 -7.344 1.00 25.00 O ATOM 2539 CB VAL A 167 7.011 21.148 -8.149 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.571 19.695 -8.049 1.00 50.00 C ATOM 2541 CG2 VAL A 167 6.232 22.039 -7.214 1.00 50.00 C ATOM 0 H VAL A 167 8.732 21.605 -5.881 1.00 25.00 H new ATOM 0 HA VAL A 167 9.051 20.473 -8.614 1.00 25.00 H new ATOM 0 HB VAL A 167 6.789 21.565 -9.131 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.492 19.631 -8.189 1.00 50.00 H new ATOM 0 HG12 VAL A 167 7.072 19.109 -8.820 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.834 19.302 -7.067 1.00 50.00 H new ATOM 0 HG21 VAL A 167 5.168 21.954 -7.433 1.00 50.00 H new ATOM 0 HG22 VAL A 167 6.416 21.735 -6.184 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.549 23.073 -7.349 1.00 50.00 H new ATOM 2551 N ASP A 168 9.210 22.796 -9.497 1.00 25.00 N ATOM 2552 CA ASP A 168 9.666 24.056 -10.042 1.00 25.00 C ATOM 2553 C ASP A 168 8.690 24.372 -11.159 1.00 25.00 C ATOM 2554 O ASP A 168 8.622 23.701 -12.201 1.00 25.00 O ATOM 2555 CB ASP A 168 11.050 24.057 -10.674 1.00 25.00 C ATOM 2556 CG ASP A 168 11.410 25.398 -11.201 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.476 25.481 -11.901 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.780 26.354 -10.881 1.00 25.00 O1- ATOM 0 H ASP A 168 8.991 22.107 -10.217 1.00 25.00 H new ATOM 0 HA ASP A 168 9.718 24.763 -9.214 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.788 23.746 -9.935 1.00 25.00 H new ATOM 0 HB3 ASP A 168 11.082 23.327 -11.483 1.00 25.00 H new ATOM 2563 N LEU A 169 7.817 25.302 -10.816 1.00 25.00 N ATOM 2564 CA LEU A 169 6.662 25.612 -11.675 1.00 25.00 C ATOM 2565 C LEU A 169 7.113 26.885 -12.432 1.00 25.00 C ATOM 2566 O LEU A 169 7.566 27.755 -11.812 1.00 25.00 O ATOM 2567 CB LEU A 169 5.431 25.934 -10.863 1.00 25.00 C ATOM 2568 CG LEU A 169 4.941 24.711 -10.021 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.613 25.133 -9.319 1.00 50.00 C ATOM 2570 CD2 LEU A 169 4.698 23.363 -10.810 1.00 50.00 C ATOM 0 H LEU A 169 7.874 25.856 -9.962 1.00 25.00 H new ATOM 0 HA LEU A 169 6.397 24.773 -12.318 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.646 26.769 -10.196 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.632 26.257 -11.530 1.00 25.00 H new ATOM 0 HG LEU A 169 5.752 24.477 -9.332 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.239 24.303 -8.720 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.799 25.991 -8.674 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.872 25.400 -10.073 1.00 50.00 H new ATOM 0 HD21 LEU A 169 4.361 22.592 -10.117 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.938 23.521 -11.575 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.627 23.045 -11.283 1.00 50.00 H new ATOM 2582 N VAL A 170 6.919 26.927 -13.723 1.00 25.00 N ATOM 2583 CA VAL A 170 7.387 28.003 -14.556 1.00 25.00 C ATOM 2584 C VAL A 170 6.328 28.407 -15.640 1.00 25.00 C ATOM 2585 O VAL A 170 5.237 27.840 -15.780 1.00 25.00 O ATOM 2586 CB VAL A 170 8.803 27.587 -15.290 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.819 27.151 -14.241 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.635 26.438 -16.245 1.00 50.00 C ATOM 0 H VAL A 170 6.421 26.199 -14.236 1.00 25.00 H new ATOM 0 HA VAL A 170 7.551 28.865 -13.909 1.00 25.00 H new ATOM 0 HB VAL A 170 9.138 28.467 -15.839 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.753 26.877 -14.731 1.00 50.00 H new ATOM 0 HG12 VAL A 170 10.000 27.972 -13.547 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.431 26.292 -13.694 1.00 50.00 H new ATOM 0 HG21 VAL A 170 9.596 26.202 -16.703 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.267 25.566 -15.704 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.921 26.712 -17.021 1.00 50.00 H new ATOM 2598 N ASN A 171 6.751 29.405 -16.387 1.00 25.00 N ATOM 2599 CA ASN A 171 5.931 30.030 -17.378 1.00 25.00 C ATOM 2600 C ASN A 171 5.522 29.153 -18.556 1.00 25.00 C ATOM 2601 O ASN A 171 6.000 28.022 -18.648 1.00 25.00 O ATOM 2602 CB ASN A 171 6.663 31.303 -17.897 1.00 25.00 C ATOM 2603 CG ASN A 171 7.926 31.050 -18.724 1.00 25.00 C ATOM 2604 OD1 ASN A 171 8.827 30.312 -18.266 1.00 25.00 O ATOM 2605 ND2 ASN A 171 8.055 31.726 -19.871 1.00 25.00 N ATOM 0 H ASN A 171 7.687 29.803 -16.315 1.00 25.00 H new ATOM 0 HA ASN A 171 4.992 30.266 -16.878 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.964 31.881 -18.502 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.930 31.922 -17.040 1.00 25.00 H new ATOM 0 HD21 ASN A 171 8.916 31.652 -20.413 1.00 25.00 H new ATOM 0 HD22 ASN A 171 7.292 32.316 -20.204 1.00 25.00 H new ATOM 2612 N LYS A 172 4.634 29.666 -19.400 1.00 25.00 N ATOM 2613 CA LYS A 172 4.132 28.894 -20.527 1.00 25.00 C ATOM 2614 C LYS A 172 5.253 28.770 -21.548 1.00 25.00 C ATOM 2615 O LYS A 172 5.173 27.785 -22.287 1.00 25.00 O ATOM 2616 CB LYS A 172 2.826 29.486 -21.101 1.00 25.00 C ATOM 2617 CG LYS A 172 2.884 30.778 -21.922 1.00 25.00 C ATOM 2618 CD LYS A 172 1.537 31.140 -22.408 1.00 25.00 C ATOM 2619 CE LYS A 172 1.655 32.392 -23.232 1.00 25.00 C ATOM 2620 NZ LYS A 172 0.313 32.760 -23.720 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 6.073 29.671 -21.722 1.00 25.00 O1- ATOM 0 H LYS A 172 4.250 30.608 -19.325 1.00 25.00 H new ATOM 0 HA LYS A 172 3.848 27.893 -20.204 1.00 25.00 H new ATOM 0 HB2 LYS A 172 2.367 28.721 -21.727 1.00 25.00 H new ATOM 0 HB3 LYS A 172 2.150 29.660 -20.264 1.00 25.00 H new ATOM 0 HG2 LYS A 172 3.287 31.586 -21.312 1.00 25.00 H new ATOM 0 HG3 LYS A 172 3.560 30.649 -22.767 1.00 25.00 H new ATOM 0 HD2 LYS A 172 1.118 30.330 -23.005 1.00 25.00 H new ATOM 0 HD3 LYS A 172 0.860 31.300 -21.569 1.00 25.00 H new ATOM 0 HE2 LYS A 172 2.075 33.201 -22.634 1.00 25.00 H new ATOM 0 HE3 LYS A 172 2.332 32.231 -24.071 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 0.377 33.626 -24.293 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -0.069 31.987 -24.302 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -0.317 32.927 -22.910 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -0.691 -0.451 1.725 1.00 0.00 CU