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 83 THR OG1 : rot -81:sc= 0.0658 USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0.0657 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 134 HIS : no HD1:sc=-0.00707 X(o=-0.0071,f=-0.0018) USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 135 HIS : no HE2:sc= 0.498 K(o=0.5,f=-1.3!) USER MOD Set 4.1: A 64 GLN : amide:sc= 0.817 K(o=0.82,f=-3.4!) USER MOD Set 4.2: A 145 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 15 SER OG : rot 180:sc= -0.104 USER MOD Set 5.2: A 24 ASN : amide:sc= 0.251 K(o=0.15,f=-2.6!) USER MOD Set 6.1: A 1 HIS : no HD1:sc= 0.074 X(o=0.19,f=-0.003) USER MOD Set 6.2: A 30 TYR OH : rot -32:sc= 0.12 USER MOD Single : A 1 HIS N :NH3+ 143:sc= 0.0556 (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= 0.0124 USER MOD Single : A 22 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 27 SER OG : rot 180:sc= 0.116 USER MOD Single : A 29 MET CE :methyl -170:sc=-0.00417 (180deg=-0.117) USER MOD Single : A 33 GLN : amide:sc= -0.0335 K(o=-0.033,f=-1.9) USER MOD Single : A 34 SER OG : rot 98:sc= 0.748 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0.763 (180deg=0.758) USER MOD Single : A 43 HIS : no HE2:sc= 0.895 K(o=0.89,f=-2.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.21) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 65 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.9!) USER MOD Single : A 66 SER OG : rot -111:sc= 0.949 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 1.34 (180deg=-0.278) USER MOD Single : A 73 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.21) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 80 HIS : no HD1:sc= -0.504 K(o=-0.5,f=-1.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 29:sc= 0.123 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0014 K(o=-0.0014,f=-2.1!) USER MOD Single : A 92 THR OG1 : rot 66:sc= 0.486 USER MOD Single : A 93 SER OG : rot 180:sc=-0.00759 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 96 HIS : no HD1:sc= -0.49! C(o=-0.49!,f=-3.4!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0.0305 (180deg=0.0286) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -1.01 F(o=-1.9,f=-1) USER MOD Single : A 126 SER OG : rot -177:sc= 1.12 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HE2:sc= 0.772 K(o=0.77,f=-3.2!) USER MOD Single : A 157 THR OG1 : rot 55:sc= 0.9 USER MOD Single : A 159 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -0.053 K(o=-0.053,f=-0.7) USER MOD Single : A 171 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.5) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.881 2.142 -2.212 1.00 25.00 N ATOM 2 CA HIS A 1 2.762 2.342 -3.384 1.00 25.00 C ATOM 3 C HIS A 1 1.959 2.658 -4.624 1.00 25.00 C ATOM 4 O HIS A 1 0.844 2.197 -4.735 1.00 25.00 O ATOM 5 CB HIS A 1 3.717 1.140 -3.582 1.00 0.00 C ATOM 6 CG HIS A 1 3.018 0.016 -4.288 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.154 -0.857 -3.629 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.977 -0.309 -5.594 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.798 -1.782 -4.575 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.217 -1.408 -5.801 1.00 0.00 N ATOM 0 H1 HIS A 1 2.267 1.385 -1.613 1.00 25.00 H new ATOM 0 H2 HIS A 1 1.827 3.024 -1.664 1.00 25.00 H new ATOM 0 H3 HIS A 1 0.929 1.876 -2.535 1.00 25.00 H new ATOM 0 HA HIS A 1 3.392 3.210 -3.190 1.00 25.00 H new ATOM 0 HB2 HIS A 1 4.588 1.452 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 1 4.082 0.797 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.485 0.237 -6.375 1.00 0.00 H new ATOM 0 HE1 HIS A 1 1.253 -2.691 -4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.006 -1.857 -6.692 1.00 0.00 H new ATOM 17 N GLY A 2 2.440 3.445 -5.537 1.00 25.00 N ATOM 18 CA GLY A 2 1.695 3.765 -6.756 1.00 25.00 C ATOM 19 C GLY A 2 2.510 4.436 -7.865 1.00 25.00 C ATOM 20 O GLY A 2 3.679 4.713 -7.680 1.00 25.00 O ATOM 0 H GLY A 2 3.355 3.891 -5.476 1.00 25.00 H new ATOM 0 HA2 GLY A 2 1.264 2.845 -7.151 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.864 4.419 -6.493 1.00 25.00 H new ATOM 24 N PHE A 3 1.890 4.612 -9.012 1.00 25.00 N ATOM 25 CA PHE A 3 2.543 4.765 -10.302 1.00 25.00 C ATOM 26 C PHE A 3 2.045 5.998 -11.079 1.00 25.00 C ATOM 27 O PHE A 3 0.878 6.397 -10.983 1.00 25.00 O ATOM 28 CB PHE A 3 2.335 3.493 -11.162 1.00 25.00 C ATOM 29 CG PHE A 3 2.874 2.205 -10.609 1.00 25.00 C ATOM 30 CD1 PHE A 3 4.209 1.928 -10.651 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.969 1.328 -9.985 1.00 50.00 C ATOM 32 CE1 PHE A 3 4.709 0.723 -10.240 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.427 0.172 -9.401 1.00 25.00 C ATOM 34 CZ PHE A 3 3.749 -0.220 -9.620 1.00 25.00 C ATOM 0 H PHE A 3 0.873 4.655 -9.078 1.00 25.00 H new ATOM 0 HA PHE A 3 3.604 4.912 -10.100 1.00 25.00 H new ATOM 0 HB2 PHE A 3 1.265 3.369 -11.331 1.00 25.00 H new ATOM 0 HB3 PHE A 3 2.794 3.663 -12.136 1.00 25.00 H new ATOM 0 HD1 PHE A 3 4.890 2.681 -11.019 1.00 50.00 H new ATOM 0 HD2 PHE A 3 0.915 1.563 -9.965 1.00 50.00 H new ATOM 0 HE1 PHE A 3 5.752 0.471 -10.361 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.774 -0.425 -8.782 1.00 25.00 H new ATOM 0 HZ PHE A 3 4.072 -1.211 -9.337 1.00 25.00 H new ATOM 44 N ILE A 4 2.940 6.763 -11.671 1.00 25.00 N ATOM 45 CA ILE A 4 2.545 8.051 -12.279 1.00 25.00 C ATOM 46 C ILE A 4 2.136 7.869 -13.735 1.00 25.00 C ATOM 47 O ILE A 4 2.936 7.430 -14.531 1.00 25.00 O ATOM 48 CB ILE A 4 3.824 9.020 -12.291 1.00 25.00 C ATOM 49 CG1 ILE A 4 4.385 9.113 -10.844 1.00 25.00 C ATOM 50 CG2 ILE A 4 3.510 10.435 -12.832 1.00 25.00 C ATOM 51 CD1 ILE A 4 5.422 10.222 -10.478 1.00 25.00 C ATOM 0 H ILE A 4 3.931 6.536 -11.752 1.00 25.00 H new ATOM 0 HA ILE A 4 1.713 8.455 -11.702 1.00 25.00 H new ATOM 0 HB ILE A 4 4.562 8.592 -12.970 1.00 25.00 H new ATOM 0 HG12 ILE A 4 3.534 9.231 -10.173 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.843 8.152 -10.612 1.00 25.00 H new ATOM 0 HG21 ILE A 4 4.416 11.041 -12.814 1.00 25.00 H new ATOM 0 HG22 ILE A 4 3.144 10.360 -13.856 1.00 25.00 H new ATOM 0 HG23 ILE A 4 2.749 10.902 -12.208 1.00 25.00 H new ATOM 0 HD11 ILE A 4 5.698 10.130 -9.427 1.00 25.00 H new ATOM 0 HD12 ILE A 4 6.311 10.107 -11.098 1.00 25.00 H new ATOM 0 HD13 ILE A 4 4.982 11.204 -10.653 1.00 25.00 H new ATOM 63 N GLU A 5 0.908 8.238 -14.106 1.00 25.00 N ATOM 64 CA GLU A 5 0.325 7.998 -15.429 1.00 25.00 C ATOM 65 C GLU A 5 0.386 9.292 -16.286 1.00 25.00 C ATOM 66 O GLU A 5 -0.287 9.434 -17.290 1.00 25.00 O ATOM 67 CB GLU A 5 -1.035 7.360 -15.164 1.00 25.00 C ATOM 68 CG GLU A 5 -1.730 6.740 -16.332 1.00 25.00 C ATOM 69 CD GLU A 5 -1.155 5.367 -16.708 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.014 4.542 -17.084 1.00 25.00 O ATOM 71 OE2 GLU A 5 0.068 5.068 -16.864 1.00 25.00 O1- ATOM 0 H GLU A 5 0.272 8.727 -13.476 1.00 25.00 H new ATOM 0 HA GLU A 5 0.873 7.300 -16.062 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.907 6.594 -14.400 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -1.691 8.122 -14.744 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -2.790 6.634 -16.103 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -1.654 7.408 -17.190 1.00 25.00 H new ATOM 78 N LYS A 6 1.244 10.226 -15.809 1.00 25.00 N ATOM 79 CA LYS A 6 1.633 11.487 -16.422 1.00 25.00 C ATOM 80 C LYS A 6 0.391 12.480 -16.532 1.00 25.00 C ATOM 81 O LYS A 6 -0.771 12.043 -16.363 1.00 25.00 O ATOM 82 CB LYS A 6 2.319 11.105 -17.720 1.00 25.00 C ATOM 83 CG LYS A 6 3.495 10.209 -17.527 1.00 25.00 C ATOM 84 CD LYS A 6 4.250 9.950 -18.846 1.00 25.00 C ATOM 85 CE LYS A 6 3.383 9.253 -19.914 1.00 25.00 C ATOM 86 NZ LYS A 6 4.309 8.787 -21.006 1.00 25.00 N1+ ATOM 0 H LYS A 6 1.711 10.091 -14.912 1.00 25.00 H new ATOM 0 HA LYS A 6 2.335 12.072 -15.828 1.00 25.00 H new ATOM 0 HB2 LYS A 6 1.598 10.611 -18.371 1.00 25.00 H new ATOM 0 HB3 LYS A 6 2.642 12.011 -18.232 1.00 25.00 H new ATOM 0 HG2 LYS A 6 4.175 10.656 -16.802 1.00 25.00 H new ATOM 0 HG3 LYS A 6 3.162 9.259 -17.108 1.00 25.00 H new ATOM 0 HD2 LYS A 6 4.611 10.899 -19.243 1.00 25.00 H new ATOM 0 HD3 LYS A 6 5.127 9.336 -18.641 1.00 25.00 H new ATOM 0 HE2 LYS A 6 2.844 8.410 -19.481 1.00 25.00 H new ATOM 0 HE3 LYS A 6 2.636 9.940 -20.311 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 3.758 8.310 -21.748 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 4.804 9.606 -21.414 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 5.005 8.123 -20.611 1.00 25.00 H new ATOM 100 N PRO A 7 0.620 13.752 -16.806 1.00 25.00 N ATOM 101 CA PRO A 7 1.822 14.475 -17.293 1.00 25.00 C ATOM 102 C PRO A 7 2.962 14.419 -16.282 1.00 25.00 C ATOM 103 O PRO A 7 2.764 14.435 -15.095 1.00 25.00 O ATOM 104 CB PRO A 7 1.273 15.874 -17.544 1.00 25.00 C ATOM 105 CG PRO A 7 0.158 16.023 -16.578 1.00 25.00 C ATOM 106 CD PRO A 7 -0.501 14.659 -16.640 1.00 25.00 C ATOM 0 HA PRO A 7 2.278 14.049 -18.186 1.00 25.00 H new ATOM 0 HB2 PRO A 7 2.038 16.634 -17.385 1.00 25.00 H new ATOM 0 HB3 PRO A 7 0.924 15.984 -18.571 1.00 25.00 H new ATOM 0 HG2 PRO A 7 0.516 16.257 -15.575 1.00 25.00 H new ATOM 0 HG3 PRO A 7 -0.527 16.820 -16.866 1.00 25.00 H new ATOM 0 HD2 PRO A 7 -1.062 14.442 -15.731 1.00 25.00 H new ATOM 0 HD3 PRO A 7 -1.202 14.589 -17.472 1.00 25.00 H new ATOM 114 N GLY A 8 4.183 14.269 -16.826 1.00 25.00 N ATOM 115 CA GLY A 8 5.425 14.436 -16.107 1.00 25.00 C ATOM 116 C GLY A 8 6.053 13.197 -15.513 1.00 25.00 C ATOM 117 O GLY A 8 5.831 12.896 -14.333 1.00 25.00 O ATOM 0 H GLY A 8 4.319 14.021 -17.806 1.00 25.00 H new ATOM 0 HA2 GLY A 8 6.149 14.889 -16.784 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.254 15.148 -15.300 1.00 25.00 H new ATOM 121 N SER A 9 6.928 12.570 -16.297 1.00 25.00 N ATOM 122 CA SER A 9 7.709 11.451 -15.846 1.00 25.00 C ATOM 123 C SER A 9 8.854 11.914 -14.931 1.00 25.00 C ATOM 124 O SER A 9 9.443 13.037 -15.064 1.00 25.00 O ATOM 125 CB SER A 9 8.311 10.717 -17.096 1.00 25.00 C ATOM 126 OG SER A 9 9.022 9.617 -16.670 1.00 25.00 O ATOM 0 H SER A 9 7.106 12.836 -17.266 1.00 25.00 H new ATOM 0 HA SER A 9 7.066 10.778 -15.280 1.00 25.00 H new ATOM 0 HB2 SER A 9 7.514 10.411 -17.773 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.960 11.393 -17.653 1.00 25.00 H new ATOM 0 HG SER A 9 9.400 9.152 -17.445 1.00 25.00 H new ATOM 132 N ARG A 10 9.122 11.073 -13.948 1.00 25.00 N ATOM 133 CA ARG A 10 10.294 11.170 -13.098 1.00 25.00 C ATOM 134 C ARG A 10 11.317 10.023 -13.467 1.00 25.00 C ATOM 135 O ARG A 10 12.495 10.190 -13.301 1.00 25.00 O ATOM 136 CB ARG A 10 9.941 11.206 -11.629 1.00 25.00 C ATOM 137 CG ARG A 10 9.534 9.835 -11.066 1.00 25.00 C ATOM 138 CD ARG A 10 9.175 9.994 -9.596 1.00 25.00 C ATOM 139 NE ARG A 10 10.332 10.337 -8.694 1.00 25.00 N ATOM 140 CZ ARG A 10 10.222 10.689 -7.435 1.00 25.00 C ATOM 141 NH1 ARG A 10 11.260 11.114 -6.773 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 9.118 10.588 -6.743 1.00 25.00 N ATOM 0 H ARG A 10 8.517 10.286 -13.714 1.00 25.00 H new ATOM 0 HA ARG A 10 10.784 12.125 -13.288 1.00 25.00 H new ATOM 0 HB2 ARG A 10 10.795 11.582 -11.067 1.00 25.00 H new ATOM 0 HB3 ARG A 10 9.123 11.911 -11.476 1.00 25.00 H new ATOM 0 HG2 ARG A 10 8.685 9.437 -11.621 1.00 25.00 H new ATOM 0 HG3 ARG A 10 10.351 9.123 -11.180 1.00 25.00 H new ATOM 0 HD2 ARG A 10 8.418 10.773 -9.504 1.00 25.00 H new ATOM 0 HD3 ARG A 10 8.722 9.067 -9.245 1.00 25.00 H new ATOM 0 HE ARG A 10 11.270 10.292 -9.092 1.00 25.00 H new ATOM 0 HH11 ARG A 10 12.168 11.175 -7.233 1.00 25.00 H new ATOM 0 HH12 ARG A 10 11.165 11.385 -5.794 1.00 25.00 H new ATOM 0 HH21 ARG A 10 8.274 10.217 -7.180 1.00 25.00 H new ATOM 0 HH22 ARG A 10 9.100 10.880 -5.766 1.00 25.00 H new ATOM 156 N ALA A 11 10.802 8.946 -14.073 1.00 25.00 N ATOM 157 CA ALA A 11 11.624 7.781 -14.433 1.00 25.00 C ATOM 158 C ALA A 11 12.692 8.222 -15.428 1.00 25.00 C ATOM 159 O ALA A 11 13.871 7.807 -15.238 1.00 25.00 O ATOM 160 CB ALA A 11 10.705 6.727 -14.994 1.00 25.00 C ATOM 0 H ALA A 11 9.818 8.856 -14.325 1.00 25.00 H new ATOM 0 HA ALA A 11 12.141 7.359 -13.571 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.286 5.848 -15.271 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.966 6.451 -14.242 1.00 25.00 H new ATOM 0 HB3 ALA A 11 10.197 7.119 -15.875 1.00 25.00 H new ATOM 166 N ALA A 12 12.296 8.975 -16.426 1.00 25.00 N ATOM 167 CA ALA A 12 13.258 9.538 -17.368 1.00 25.00 C ATOM 168 C ALA A 12 14.282 10.531 -16.759 1.00 25.00 C ATOM 169 O ALA A 12 15.486 10.589 -17.188 1.00 25.00 O ATOM 170 CB ALA A 12 12.504 10.199 -18.571 1.00 25.00 C ATOM 0 H ALA A 12 11.323 9.216 -16.614 1.00 25.00 H new ATOM 0 HA ALA A 12 13.858 8.693 -17.705 1.00 25.00 H new ATOM 0 HB1 ALA A 12 13.229 10.617 -19.269 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.901 9.447 -19.080 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.856 10.994 -18.202 1.00 25.00 H new ATOM 176 N LEU A 13 13.919 11.223 -15.719 1.00 25.00 N ATOM 177 CA LEU A 13 14.836 12.123 -15.048 1.00 25.00 C ATOM 178 C LEU A 13 15.761 11.307 -14.085 1.00 25.00 C ATOM 179 O LEU A 13 16.775 11.802 -13.673 1.00 25.00 O ATOM 180 CB LEU A 13 13.998 13.230 -14.369 1.00 25.00 C ATOM 181 CG LEU A 13 13.210 14.116 -15.357 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.207 14.946 -14.586 1.00 75.00 C ATOM 183 CD2 LEU A 13 14.193 15.071 -16.147 1.00 75.00 C ATOM 0 H LEU A 13 12.987 11.186 -15.307 1.00 25.00 H new ATOM 0 HA LEU A 13 15.517 12.620 -15.739 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.297 12.767 -13.674 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.661 13.863 -13.779 1.00 25.00 H new ATOM 0 HG LEU A 13 12.693 13.478 -16.074 1.00 25.00 H new ATOM 0 HD11 LEU A 13 11.646 15.575 -15.278 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.519 14.286 -14.057 1.00 75.00 H new ATOM 0 HD13 LEU A 13 12.732 15.576 -13.867 1.00 75.00 H new ATOM 0 HD21 LEU A 13 13.622 15.689 -16.840 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.723 15.711 -15.442 1.00 75.00 H new ATOM 0 HD23 LEU A 13 14.913 14.472 -16.705 1.00 75.00 H new ATOM 195 N CYS A 14 15.370 10.094 -13.653 1.00 25.00 N ATOM 196 CA CYS A 14 16.191 9.231 -12.868 1.00 25.00 C ATOM 197 C CYS A 14 17.251 8.398 -13.640 1.00 25.00 C ATOM 198 O CYS A 14 18.222 7.824 -13.081 1.00 25.00 O ATOM 199 CB CYS A 14 15.300 8.183 -12.228 1.00 25.00 C ATOM 200 SG CYS A 14 15.759 7.714 -10.536 1.00 25.00 S ATOM 0 H CYS A 14 14.451 9.703 -13.858 1.00 25.00 H new ATOM 0 HA CYS A 14 16.712 9.906 -12.189 1.00 25.00 H new ATOM 0 HB2 CYS A 14 14.275 8.555 -12.220 1.00 25.00 H new ATOM 0 HB3 CYS A 14 15.310 7.289 -12.852 1.00 25.00 H new ATOM 205 N SER A 15 17.138 8.396 -14.976 1.00 25.00 N ATOM 206 CA SER A 15 18.089 7.686 -15.828 1.00 25.00 C ATOM 207 C SER A 15 19.483 8.226 -15.802 1.00 25.00 C ATOM 208 O SER A 15 19.718 9.323 -15.273 1.00 25.00 O ATOM 209 CB SER A 15 17.600 7.748 -17.273 1.00 25.00 C ATOM 210 OG SER A 15 18.412 7.053 -18.217 1.00 25.00 O ATOM 0 H SER A 15 16.397 8.879 -15.484 1.00 25.00 H new ATOM 0 HA SER A 15 18.133 6.671 -15.433 1.00 25.00 H new ATOM 0 HB2 SER A 15 16.590 7.340 -17.316 1.00 25.00 H new ATOM 0 HB3 SER A 15 17.535 8.794 -17.574 1.00 25.00 H new ATOM 0 HG SER A 15 18.024 7.145 -19.112 1.00 25.00 H new ATOM 216 N GLU A 16 20.436 7.467 -16.312 1.00 25.00 N ATOM 217 CA GLU A 16 21.924 7.611 -16.251 1.00 25.00 C ATOM 218 C GLU A 16 22.674 8.952 -16.335 1.00 25.00 C ATOM 219 O GLU A 16 23.721 9.104 -15.724 1.00 25.00 O ATOM 220 CB GLU A 16 22.587 6.598 -17.253 1.00 25.00 C ATOM 221 CG GLU A 16 22.754 7.106 -18.670 1.00 25.00 C ATOM 222 CD GLU A 16 21.374 7.232 -19.247 1.00 25.00 C ATOM 223 OE1 GLU A 16 20.897 8.407 -19.264 1.00 25.00 O ATOM 224 OE2 GLU A 16 20.790 6.253 -19.743 1.00 25.00 O1- ATOM 0 H GLU A 16 20.183 6.634 -16.844 1.00 25.00 H new ATOM 0 HA GLU A 16 22.048 7.421 -15.185 1.00 25.00 H new ATOM 0 HB2 GLU A 16 23.567 6.319 -16.867 1.00 25.00 H new ATOM 0 HB3 GLU A 16 21.984 5.690 -17.279 1.00 25.00 H new ATOM 0 HG2 GLU A 16 23.267 8.068 -18.679 1.00 25.00 H new ATOM 0 HG3 GLU A 16 23.359 6.417 -19.260 1.00 25.00 H new ATOM 231 N ALA A 17 22.032 9.928 -16.952 1.00 25.00 N ATOM 232 CA ALA A 17 22.451 11.332 -16.999 1.00 25.00 C ATOM 233 C ALA A 17 22.398 11.949 -15.607 1.00 25.00 C ATOM 234 O ALA A 17 22.922 13.025 -15.369 1.00 25.00 O ATOM 235 CB ALA A 17 21.545 12.007 -18.035 1.00 25.00 C ATOM 0 H ALA A 17 21.163 9.764 -17.460 1.00 25.00 H new ATOM 0 HA ALA A 17 23.489 11.460 -17.306 1.00 25.00 H new ATOM 0 HB1 ALA A 17 21.809 13.061 -18.117 1.00 25.00 H new ATOM 0 HB2 ALA A 17 21.676 11.524 -19.003 1.00 25.00 H new ATOM 0 HB3 ALA A 17 20.505 11.916 -17.723 1.00 25.00 H new ATOM 241 N PHE A 18 21.634 11.321 -14.733 1.00 25.00 N ATOM 242 CA PHE A 18 21.777 11.645 -13.319 1.00 25.00 C ATOM 243 C PHE A 18 23.174 11.577 -12.715 1.00 25.00 C ATOM 244 O PHE A 18 23.375 12.067 -11.594 1.00 25.00 O ATOM 245 CB PHE A 18 20.712 10.770 -12.587 1.00 25.00 C ATOM 246 CG PHE A 18 20.413 11.287 -11.180 1.00 25.00 C ATOM 247 CD1 PHE A 18 19.677 12.468 -11.103 1.00 50.00 C ATOM 248 CD2 PHE A 18 20.800 10.535 -10.054 1.00 50.00 C ATOM 249 CE1 PHE A 18 19.393 13.016 -9.815 1.00 25.00 C ATOM 250 CE2 PHE A 18 20.414 11.041 -8.733 1.00 25.00 C ATOM 251 CZ PHE A 18 19.702 12.275 -8.626 1.00 25.00 C ATOM 0 H PHE A 18 20.935 10.613 -14.958 1.00 25.00 H new ATOM 0 HA PHE A 18 21.601 12.712 -13.184 1.00 25.00 H new ATOM 0 HB2 PHE A 18 19.792 10.756 -13.171 1.00 25.00 H new ATOM 0 HB3 PHE A 18 21.067 9.741 -12.527 1.00 25.00 H new ATOM 0 HD1 PHE A 18 19.328 12.959 -11.999 1.00 50.00 H new ATOM 0 HD2 PHE A 18 21.361 9.618 -10.160 1.00 50.00 H new ATOM 0 HE1 PHE A 18 18.943 13.994 -9.736 1.00 25.00 H new ATOM 0 HE2 PHE A 18 20.667 10.483 -7.844 1.00 25.00 H new ATOM 0 HZ PHE A 18 19.399 12.647 -7.658 1.00 25.00 H new ATOM 261 N GLY A 19 24.116 10.902 -13.319 1.00 25.00 N ATOM 262 CA GLY A 19 25.496 10.838 -12.844 1.00 25.00 C ATOM 263 C GLY A 19 26.376 9.631 -13.046 1.00 25.00 C ATOM 264 O GLY A 19 27.520 9.657 -12.649 1.00 25.00 O ATOM 0 H GLY A 19 23.955 10.367 -14.172 1.00 25.00 H new ATOM 0 HA2 GLY A 19 26.019 11.681 -13.295 1.00 25.00 H new ATOM 0 HA3 GLY A 19 25.463 11.021 -11.770 1.00 25.00 H new ATOM 268 N PHE A 20 25.867 8.666 -13.835 1.00 25.00 N ATOM 269 CA PHE A 20 26.473 7.453 -14.380 1.00 25.00 C ATOM 270 C PHE A 20 27.231 6.522 -13.394 1.00 25.00 C ATOM 271 O PHE A 20 27.822 5.518 -13.748 1.00 25.00 O ATOM 272 CB PHE A 20 27.509 7.774 -15.490 1.00 25.00 C ATOM 273 CG PHE A 20 27.021 8.745 -16.541 1.00 25.00 C ATOM 274 CD1 PHE A 20 27.201 10.122 -16.389 1.00 50.00 C ATOM 275 CD2 PHE A 20 26.342 8.277 -17.702 1.00 50.00 C ATOM 276 CE1 PHE A 20 26.616 11.074 -17.241 1.00 25.00 C ATOM 277 CE2 PHE A 20 25.832 9.197 -18.651 1.00 25.00 C ATOM 278 CZ PHE A 20 25.915 10.632 -18.336 1.00 25.00 C ATOM 0 H PHE A 20 24.896 8.736 -14.139 1.00 25.00 H new ATOM 0 HA PHE A 20 25.584 6.928 -14.731 1.00 25.00 H new ATOM 0 HB2 PHE A 20 28.406 8.182 -15.025 1.00 25.00 H new ATOM 0 HB3 PHE A 20 27.799 6.844 -15.979 1.00 25.00 H new ATOM 0 HD1 PHE A 20 27.820 10.472 -15.576 1.00 50.00 H new ATOM 0 HD2 PHE A 20 26.215 7.216 -17.860 1.00 50.00 H new ATOM 0 HE1 PHE A 20 26.716 12.130 -17.039 1.00 25.00 H new ATOM 0 HE2 PHE A 20 25.395 8.855 -19.578 1.00 25.00 H new ATOM 0 HZ PHE A 20 25.418 11.347 -18.975 1.00 25.00 H new ATOM 288 N LEU A 21 27.284 6.861 -12.122 1.00 25.00 N ATOM 289 CA LEU A 21 28.012 6.062 -11.092 1.00 25.00 C ATOM 290 C LEU A 21 27.158 5.028 -10.293 1.00 25.00 C ATOM 291 O LEU A 21 27.692 4.133 -9.628 1.00 25.00 O ATOM 292 CB LEU A 21 28.739 7.056 -10.177 1.00 25.00 C ATOM 293 CG LEU A 21 29.881 7.979 -10.645 1.00 25.00 C ATOM 294 CD1 LEU A 21 30.548 8.804 -9.485 1.00 50.00 C ATOM 295 CD2 LEU A 21 31.024 7.160 -11.354 1.00 50.00 C ATOM 0 H LEU A 21 26.831 7.695 -11.748 1.00 25.00 H new ATOM 0 HA LEU A 21 28.713 5.411 -11.615 1.00 25.00 H new ATOM 0 HB2 LEU A 21 27.970 7.708 -9.764 1.00 25.00 H new ATOM 0 HB3 LEU A 21 29.140 6.471 -9.349 1.00 25.00 H new ATOM 0 HG LEU A 21 29.403 8.673 -11.336 1.00 25.00 H new ATOM 0 HD11 LEU A 21 31.342 9.429 -9.893 1.00 50.00 H new ATOM 0 HD12 LEU A 21 29.797 9.435 -9.009 1.00 50.00 H new ATOM 0 HD13 LEU A 21 30.968 8.120 -8.747 1.00 50.00 H new ATOM 0 HD21 LEU A 21 31.815 7.839 -11.672 1.00 50.00 H new ATOM 0 HD22 LEU A 21 31.433 6.428 -10.657 1.00 50.00 H new ATOM 0 HD23 LEU A 21 30.616 6.645 -12.224 1.00 50.00 H new ATOM 307 N ASN A 22 25.831 5.118 -10.414 1.00 25.00 N ATOM 308 CA ASN A 22 24.926 4.212 -9.696 1.00 25.00 C ATOM 309 C ASN A 22 23.862 3.669 -10.664 1.00 25.00 C ATOM 310 O ASN A 22 23.921 3.952 -11.810 1.00 25.00 O ATOM 311 CB ASN A 22 24.319 4.917 -8.430 1.00 25.00 C ATOM 312 CG ASN A 22 25.401 5.529 -7.479 1.00 25.00 C ATOM 313 OD1 ASN A 22 26.256 4.832 -6.970 1.00 25.00 O ATOM 314 ND2 ASN A 22 25.521 6.831 -7.550 1.00 25.00 N ATOM 0 H ASN A 22 25.359 5.806 -11.000 1.00 25.00 H new ATOM 0 HA ASN A 22 25.482 3.354 -9.319 1.00 25.00 H new ATOM 0 HB2 ASN A 22 23.642 5.707 -8.753 1.00 25.00 H new ATOM 0 HB3 ASN A 22 23.723 4.195 -7.872 1.00 25.00 H new ATOM 0 HD21 ASN A 22 26.351 7.288 -7.171 1.00 25.00 H new ATOM 0 HD22 ASN A 22 24.785 7.388 -7.984 1.00 25.00 H new ATOM 321 N LEU A 23 22.834 2.949 -10.192 1.00 25.00 N ATOM 322 CA LEU A 23 21.788 2.335 -11.020 1.00 25.00 C ATOM 323 C LEU A 23 20.899 3.342 -11.751 1.00 25.00 C ATOM 324 O LEU A 23 20.782 4.490 -11.283 1.00 25.00 O ATOM 325 CB LEU A 23 20.937 1.302 -10.296 1.00 25.00 C ATOM 326 CG LEU A 23 21.613 0.008 -9.752 1.00 25.00 C ATOM 327 CD1 LEU A 23 22.650 0.097 -8.680 1.00 50.00 C ATOM 328 CD2 LEU A 23 20.431 -0.769 -9.207 1.00 50.00 C ATOM 0 H LEU A 23 22.704 2.773 -9.196 1.00 25.00 H new ATOM 0 HA LEU A 23 22.364 1.800 -11.775 1.00 25.00 H new ATOM 0 HB2 LEU A 23 20.460 1.802 -9.453 1.00 25.00 H new ATOM 0 HB3 LEU A 23 20.142 0.996 -10.977 1.00 25.00 H new ATOM 0 HG LEU A 23 22.196 -0.416 -10.569 1.00 25.00 H new ATOM 0 HD11 LEU A 23 23.004 -0.904 -8.432 1.00 50.00 H new ATOM 0 HD12 LEU A 23 23.486 0.701 -9.032 1.00 50.00 H new ATOM 0 HD13 LEU A 23 22.217 0.559 -7.793 1.00 50.00 H new ATOM 0 HD21 LEU A 23 20.778 -1.714 -8.790 1.00 50.00 H new ATOM 0 HD22 LEU A 23 19.941 -0.186 -8.427 1.00 50.00 H new ATOM 0 HD23 LEU A 23 19.723 -0.966 -10.012 1.00 50.00 H new ATOM 340 N ASN A 24 20.242 2.894 -12.792 1.00 25.00 N ATOM 341 CA ASN A 24 19.517 3.706 -13.758 1.00 25.00 C ATOM 342 C ASN A 24 18.157 4.152 -13.233 1.00 25.00 C ATOM 343 O ASN A 24 17.420 4.830 -13.878 1.00 25.00 O ATOM 344 CB ASN A 24 19.217 2.879 -15.048 1.00 25.00 C ATOM 345 CG ASN A 24 18.888 3.764 -16.201 1.00 25.00 C ATOM 346 OD1 ASN A 24 19.651 4.693 -16.496 1.00 25.00 O ATOM 347 ND2 ASN A 24 17.885 3.435 -16.948 1.00 25.00 N ATOM 0 H ASN A 24 20.191 1.898 -13.007 1.00 25.00 H new ATOM 0 HA ASN A 24 20.153 4.569 -13.955 1.00 25.00 H new ATOM 0 HB2 ASN A 24 20.082 2.263 -15.296 1.00 25.00 H new ATOM 0 HB3 ASN A 24 18.385 2.200 -14.861 1.00 25.00 H new ATOM 0 HD21 ASN A 24 17.702 3.947 -17.811 1.00 25.00 H new ATOM 0 HD22 ASN A 24 17.276 2.664 -16.674 1.00 25.00 H new ATOM 354 N CYS A 25 17.858 3.789 -11.987 1.00 25.00 N ATOM 355 CA CYS A 25 17.183 4.780 -11.069 1.00 25.00 C ATOM 356 C CYS A 25 17.612 4.559 -9.600 1.00 25.00 C ATOM 357 O CYS A 25 17.792 5.506 -8.858 1.00 25.00 O ATOM 358 CB CYS A 25 15.693 4.673 -11.224 1.00 25.00 C ATOM 359 SG CYS A 25 14.707 5.943 -10.292 1.00 25.00 S ATOM 0 H CYS A 25 18.049 2.873 -11.581 1.00 25.00 H new ATOM 0 HA CYS A 25 17.493 5.788 -11.346 1.00 25.00 H new ATOM 0 HB2 CYS A 25 15.447 4.751 -12.283 1.00 25.00 H new ATOM 0 HB3 CYS A 25 15.380 3.682 -10.897 1.00 25.00 H new ATOM 364 N GLY A 26 17.769 3.309 -9.147 1.00 25.00 N ATOM 365 CA GLY A 26 18.098 2.994 -7.744 1.00 25.00 C ATOM 366 C GLY A 26 16.869 2.322 -7.166 1.00 25.00 C ATOM 367 O GLY A 26 15.701 2.796 -7.297 1.00 25.00 O ATOM 0 H GLY A 26 17.672 2.485 -9.740 1.00 25.00 H new ATOM 0 HA2 GLY A 26 18.966 2.337 -7.685 1.00 25.00 H new ATOM 0 HA3 GLY A 26 18.345 3.899 -7.189 1.00 25.00 H new ATOM 371 N SER A 27 17.078 1.171 -6.500 1.00 25.00 N ATOM 372 CA SER A 27 16.023 0.357 -5.983 1.00 25.00 C ATOM 373 C SER A 27 14.931 0.989 -5.082 1.00 25.00 C ATOM 374 O SER A 27 13.843 0.424 -4.945 1.00 25.00 O ATOM 375 CB SER A 27 16.706 -0.689 -5.109 1.00 25.00 C ATOM 376 OG SER A 27 17.865 -1.184 -5.790 1.00 25.00 O ATOM 0 H SER A 27 18.009 0.797 -6.316 1.00 25.00 H new ATOM 0 HA SER A 27 15.483 0.031 -6.872 1.00 25.00 H new ATOM 0 HB2 SER A 27 16.990 -0.252 -4.152 1.00 25.00 H new ATOM 0 HB3 SER A 27 16.018 -1.507 -4.894 1.00 25.00 H new ATOM 0 HG SER A 27 18.310 -1.856 -5.232 1.00 25.00 H new ATOM 382 N VAL A 28 15.081 2.218 -4.577 1.00 25.00 N ATOM 383 CA VAL A 28 14.022 2.818 -3.745 1.00 25.00 C ATOM 384 C VAL A 28 12.815 3.283 -4.587 1.00 25.00 C ATOM 385 O VAL A 28 11.749 3.671 -4.049 1.00 25.00 O ATOM 386 CB VAL A 28 14.640 3.926 -2.816 1.00 25.00 C ATOM 387 CG1 VAL A 28 15.001 5.276 -3.522 1.00 50.00 C ATOM 388 CG2 VAL A 28 13.755 4.244 -1.567 1.00 50.00 C ATOM 0 H VAL A 28 15.901 2.807 -4.722 1.00 25.00 H new ATOM 0 HA VAL A 28 13.604 2.057 -3.086 1.00 25.00 H new ATOM 0 HB VAL A 28 15.576 3.462 -2.504 1.00 25.00 H new ATOM 0 HG11 VAL A 28 15.419 5.968 -2.791 1.00 50.00 H new ATOM 0 HG12 VAL A 28 15.734 5.091 -4.308 1.00 50.00 H new ATOM 0 HG13 VAL A 28 14.102 5.710 -3.959 1.00 50.00 H new ATOM 0 HG21 VAL A 28 14.237 5.016 -0.967 1.00 50.00 H new ATOM 0 HG22 VAL A 28 12.777 4.596 -1.894 1.00 50.00 H new ATOM 0 HG23 VAL A 28 13.634 3.342 -0.968 1.00 50.00 H new ATOM 398 N MET A 29 12.986 3.156 -5.904 1.00 25.00 N ATOM 399 CA MET A 29 11.950 3.410 -6.936 1.00 25.00 C ATOM 400 C MET A 29 10.635 2.616 -6.772 1.00 25.00 C ATOM 401 O MET A 29 9.596 2.966 -7.386 1.00 25.00 O ATOM 402 CB MET A 29 12.525 3.048 -8.336 1.00 25.00 C ATOM 403 CG MET A 29 12.599 1.564 -8.571 1.00 25.00 C ATOM 404 SD MET A 29 13.162 1.149 -10.274 1.00 25.00 S ATOM 405 CE MET A 29 11.896 1.713 -11.332 1.00 25.00 C ATOM 0 H MET A 29 13.876 2.864 -6.307 1.00 25.00 H new ATOM 0 HA MET A 29 11.701 4.465 -6.823 1.00 25.00 H new ATOM 0 HB2 MET A 29 11.903 3.503 -9.107 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.522 3.477 -8.436 1.00 25.00 H new ATOM 0 HG2 MET A 29 13.281 1.118 -7.847 1.00 25.00 H new ATOM 0 HG3 MET A 29 11.618 1.122 -8.398 1.00 25.00 H new ATOM 0 HE1 MET A 29 12.075 1.345 -12.342 1.00 25.00 H new ATOM 0 HE2 MET A 29 10.934 1.344 -10.977 1.00 25.00 H new ATOM 0 HE3 MET A 29 11.887 2.803 -11.339 1.00 25.00 H new ATOM 415 N TYR A 30 10.660 1.628 -5.835 1.00 25.00 N ATOM 416 CA TYR A 30 9.391 1.012 -5.420 1.00 25.00 C ATOM 417 C TYR A 30 8.364 1.943 -4.684 1.00 25.00 C ATOM 418 O TYR A 30 7.190 1.959 -5.049 1.00 25.00 O ATOM 419 CB TYR A 30 9.660 -0.165 -4.537 1.00 25.00 C ATOM 420 CG TYR A 30 8.366 -0.775 -4.010 1.00 25.00 C ATOM 421 CD1 TYR A 30 7.409 -1.432 -4.873 1.00 50.00 C ATOM 422 CD2 TYR A 30 8.083 -0.751 -2.642 1.00 50.00 C ATOM 423 CE1 TYR A 30 6.194 -1.874 -4.335 1.00 25.00 C ATOM 424 CE2 TYR A 30 6.860 -1.243 -2.137 1.00 25.00 C ATOM 425 CZ TYR A 30 5.961 -1.838 -2.981 1.00 25.00 C ATOM 426 OH TYR A 30 4.781 -2.275 -2.499 1.00 25.00 O ATOM 0 H TYR A 30 11.498 1.265 -5.381 1.00 25.00 H new ATOM 0 HA TYR A 30 8.919 0.738 -6.364 1.00 25.00 H new ATOM 0 HB2 TYR A 30 10.219 -0.918 -5.093 1.00 25.00 H new ATOM 0 HB3 TYR A 30 10.286 0.143 -3.699 1.00 25.00 H new ATOM 0 HD1 TYR A 30 7.629 -1.580 -5.920 1.00 50.00 H new ATOM 0 HD2 TYR A 30 8.814 -0.348 -1.957 1.00 50.00 H new ATOM 0 HE1 TYR A 30 5.427 -2.250 -4.996 1.00 25.00 H new ATOM 0 HE2 TYR A 30 6.634 -1.150 -1.085 1.00 25.00 H new ATOM 0 HH TYR A 30 4.074 -2.097 -3.154 1.00 25.00 H new ATOM 436 N GLU A 31 8.875 2.819 -3.845 1.00 25.00 N ATOM 437 CA GLU A 31 8.016 3.780 -3.180 1.00 25.00 C ATOM 438 C GLU A 31 8.779 5.079 -2.960 1.00 25.00 C ATOM 439 O GLU A 31 8.941 5.486 -1.776 1.00 25.00 O ATOM 440 CB GLU A 31 7.470 3.173 -1.882 1.00 25.00 C ATOM 441 CG GLU A 31 8.529 2.542 -0.937 1.00 25.00 C ATOM 442 CD GLU A 31 7.892 2.093 0.403 1.00 25.00 C ATOM 443 OE1 GLU A 31 8.578 2.028 1.443 1.00 25.00 O ATOM 444 OE2 GLU A 31 6.712 1.684 0.394 1.00 25.00 O1- ATOM 0 H GLU A 31 9.865 2.887 -3.609 1.00 25.00 H new ATOM 0 HA GLU A 31 7.154 4.020 -3.802 1.00 25.00 H new ATOM 0 HB2 GLU A 31 6.938 3.951 -1.334 1.00 25.00 H new ATOM 0 HB3 GLU A 31 6.738 2.408 -2.140 1.00 25.00 H new ATOM 0 HG2 GLU A 31 8.992 1.686 -1.427 1.00 25.00 H new ATOM 0 HG3 GLU A 31 9.321 3.264 -0.741 1.00 25.00 H new ATOM 451 N PRO A 32 9.186 5.786 -4.018 1.00 25.00 N ATOM 452 CA PRO A 32 9.953 6.984 -3.588 1.00 25.00 C ATOM 453 C PRO A 32 9.170 8.158 -3.048 1.00 25.00 C ATOM 454 O PRO A 32 9.648 8.981 -2.291 1.00 25.00 O ATOM 455 CB PRO A 32 10.662 7.339 -4.888 1.00 25.00 C ATOM 456 CG PRO A 32 9.740 6.840 -6.045 1.00 25.00 C ATOM 457 CD PRO A 32 9.182 5.587 -5.480 1.00 25.00 C ATOM 0 HA PRO A 32 10.578 6.760 -2.724 1.00 25.00 H new ATOM 0 HB2 PRO A 32 10.827 8.414 -4.959 1.00 25.00 H new ATOM 0 HB3 PRO A 32 11.641 6.862 -4.939 1.00 25.00 H new ATOM 0 HG2 PRO A 32 8.959 7.562 -6.284 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.299 6.659 -6.963 1.00 25.00 H new ATOM 0 HD2 PRO A 32 8.173 5.404 -5.850 1.00 25.00 H new ATOM 0 HD3 PRO A 32 9.786 4.725 -5.762 1.00 25.00 H new ATOM 465 N GLN A 33 7.889 8.195 -3.418 1.00 25.00 N ATOM 466 CA GLN A 33 6.998 9.237 -2.892 1.00 25.00 C ATOM 467 C GLN A 33 6.640 9.020 -1.421 1.00 25.00 C ATOM 468 O GLN A 33 6.194 10.023 -0.848 1.00 25.00 O ATOM 469 CB GLN A 33 5.740 9.437 -3.793 1.00 25.00 C ATOM 470 CG GLN A 33 4.596 8.417 -3.684 1.00 25.00 C ATOM 471 CD GLN A 33 4.980 7.068 -4.274 1.00 25.00 C ATOM 472 OE1 GLN A 33 5.709 6.976 -5.206 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.592 6.034 -3.604 1.00 25.00 N ATOM 0 H GLN A 33 7.451 7.536 -4.062 1.00 25.00 H new ATOM 0 HA GLN A 33 7.558 10.171 -2.926 1.00 25.00 H new ATOM 0 HB2 GLN A 33 5.328 10.423 -3.575 1.00 25.00 H new ATOM 0 HB3 GLN A 33 6.073 9.453 -4.831 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.321 8.290 -2.637 1.00 25.00 H new ATOM 0 HG3 GLN A 33 3.716 8.802 -4.200 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.965 6.148 -2.808 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.913 5.103 -3.871 1.00 25.00 H new ATOM 482 N SER A 34 6.758 7.822 -0.868 1.00 25.00 N ATOM 483 CA SER A 34 6.241 7.551 0.449 1.00 25.00 C ATOM 484 C SER A 34 7.226 8.092 1.516 1.00 25.00 C ATOM 485 O SER A 34 8.315 7.581 1.793 1.00 25.00 O ATOM 486 CB SER A 34 5.992 6.036 0.742 1.00 25.00 C ATOM 487 OG SER A 34 5.409 5.933 2.044 1.00 25.00 O ATOM 0 H SER A 34 7.209 7.026 -1.318 1.00 25.00 H new ATOM 0 HA SER A 34 5.274 8.051 0.493 1.00 25.00 H new ATOM 0 HB2 SER A 34 5.329 5.606 -0.009 1.00 25.00 H new ATOM 0 HB3 SER A 34 6.928 5.479 0.697 1.00 25.00 H new ATOM 0 HG SER A 34 4.436 5.851 1.961 1.00 25.00 H new ATOM 493 N LEU A 35 6.651 9.116 2.167 1.00 25.00 N ATOM 494 CA LEU A 35 7.172 9.603 3.453 1.00 25.00 C ATOM 495 C LEU A 35 6.147 9.113 4.482 1.00 25.00 C ATOM 496 O LEU A 35 5.154 9.754 4.754 1.00 25.00 O ATOM 497 CB LEU A 35 7.169 11.146 3.491 1.00 25.00 C ATOM 498 CG LEU A 35 8.217 11.897 2.710 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.980 13.420 2.884 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.576 11.550 3.234 1.00 50.00 C ATOM 0 H LEU A 35 5.831 9.619 1.827 1.00 25.00 H new ATOM 0 HA LEU A 35 8.190 9.256 3.630 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.193 11.482 3.140 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.255 11.450 4.534 1.00 25.00 H new ATOM 0 HG LEU A 35 8.153 11.626 1.656 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.734 13.972 2.322 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.989 13.679 2.512 1.00 50.00 H new ATOM 0 HD13 LEU A 35 8.051 13.681 3.940 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.333 12.093 2.669 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.641 11.826 4.287 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.744 10.478 3.128 1.00 50.00 H new ATOM 512 N GLU A 36 6.371 7.920 5.046 1.00 25.00 N ATOM 513 CA GLU A 36 5.328 7.368 5.959 1.00 25.00 C ATOM 514 C GLU A 36 5.218 8.115 7.205 1.00 25.00 C ATOM 515 O GLU A 36 6.119 8.851 7.636 1.00 25.00 O ATOM 516 CB GLU A 36 5.713 5.897 6.333 1.00 25.00 C ATOM 517 CG GLU A 36 5.733 4.947 5.177 1.00 25.00 C ATOM 518 CD GLU A 36 5.822 3.454 5.537 1.00 25.00 C ATOM 519 OE1 GLU A 36 5.180 2.984 6.499 1.00 25.00 O ATOM 520 OE2 GLU A 36 6.615 2.786 4.945 1.00 25.00 O1- ATOM 0 H GLU A 36 7.200 7.342 4.910 1.00 25.00 H new ATOM 0 HA GLU A 36 4.376 7.430 5.431 1.00 25.00 H new ATOM 0 HB2 GLU A 36 6.697 5.900 6.801 1.00 25.00 H new ATOM 0 HB3 GLU A 36 5.007 5.528 7.078 1.00 25.00 H new ATOM 0 HG2 GLU A 36 4.831 5.105 4.586 1.00 25.00 H new ATOM 0 HG3 GLU A 36 6.581 5.198 4.539 1.00 25.00 H new ATOM 527 N ALA A 37 4.076 7.910 7.863 1.00 25.00 N ATOM 528 CA ALA A 37 3.752 8.520 9.155 1.00 25.00 C ATOM 529 C ALA A 37 2.988 7.400 9.874 1.00 25.00 C ATOM 530 O ALA A 37 2.702 6.425 9.260 1.00 25.00 O ATOM 531 CB ALA A 37 2.876 9.690 8.932 1.00 25.00 C ATOM 0 H ALA A 37 3.336 7.304 7.507 1.00 25.00 H new ATOM 0 HA ALA A 37 4.617 8.873 9.716 1.00 25.00 H new ATOM 0 HB1 ALA A 37 2.631 10.149 9.890 1.00 25.00 H new ATOM 0 HB2 ALA A 37 3.392 10.416 8.303 1.00 25.00 H new ATOM 0 HB3 ALA A 37 1.959 9.369 8.438 1.00 25.00 H new ATOM 537 N LYS A 38 2.780 7.515 11.186 1.00 25.00 N ATOM 538 CA LYS A 38 1.979 6.609 11.956 1.00 25.00 C ATOM 539 C LYS A 38 1.006 7.453 12.775 1.00 25.00 C ATOM 540 O LYS A 38 1.370 8.543 13.257 1.00 25.00 O ATOM 541 CB LYS A 38 2.793 5.616 12.788 1.00 25.00 C ATOM 542 CG LYS A 38 2.124 4.323 13.162 1.00 25.00 C ATOM 543 CD LYS A 38 3.108 3.375 13.705 1.00 25.00 C ATOM 544 CE LYS A 38 2.398 1.998 13.818 1.00 25.00 C ATOM 545 NZ LYS A 38 3.347 0.952 14.336 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.183 8.268 11.743 1.00 25.00 H new ATOM 0 HA LYS A 38 1.422 5.951 11.289 1.00 25.00 H new ATOM 0 HB2 LYS A 38 3.702 5.379 12.236 1.00 25.00 H new ATOM 0 HB3 LYS A 38 3.099 6.116 13.707 1.00 25.00 H new ATOM 0 HG2 LYS A 38 1.344 4.510 13.900 1.00 25.00 H new ATOM 0 HG3 LYS A 38 1.638 3.891 12.287 1.00 25.00 H new ATOM 0 HD2 LYS A 38 3.979 3.307 13.053 1.00 25.00 H new ATOM 0 HD3 LYS A 38 3.465 3.706 14.680 1.00 25.00 H new ATOM 0 HE2 LYS A 38 1.539 2.079 14.485 1.00 25.00 H new ATOM 0 HE3 LYS A 38 2.016 1.699 12.842 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 2.854 0.039 14.404 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 4.153 0.862 13.685 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 3.691 1.231 15.277 1.00 25.00 H new ATOM 559 N LYS A 39 -0.228 6.965 12.881 1.00 25.00 N ATOM 560 CA LYS A 39 -1.269 7.632 13.692 1.00 25.00 C ATOM 561 C LYS A 39 -0.966 7.424 15.169 1.00 25.00 C ATOM 562 O LYS A 39 -0.193 6.542 15.498 1.00 25.00 O ATOM 563 CB LYS A 39 -2.610 6.924 13.399 1.00 25.00 C ATOM 564 CG LYS A 39 -3.121 7.166 11.985 1.00 25.00 C ATOM 565 CD LYS A 39 -4.290 6.233 11.617 1.00 25.00 C ATOM 566 CE LYS A 39 -4.105 5.777 10.270 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.323 4.887 9.972 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.541 6.111 12.419 1.00 25.00 H new ATOM 0 HA LYS A 39 -1.304 8.696 13.456 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -2.489 5.852 13.556 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -3.359 7.268 14.113 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -3.443 8.203 11.890 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -2.306 7.020 11.277 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -4.327 5.386 12.301 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -5.239 6.761 11.711 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.051 6.615 9.575 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -3.175 5.218 10.168 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -5.237 4.491 9.014 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -5.365 4.112 10.665 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.192 5.455 10.035 1.00 25.00 H new ATOM 581 N GLY A 40 -1.656 8.101 16.078 1.00 25.00 N ATOM 582 CA GLY A 40 -1.496 7.873 17.516 1.00 25.00 C ATOM 583 C GLY A 40 -0.266 8.609 18.125 1.00 25.00 C ATOM 584 O GLY A 40 0.569 9.183 17.442 1.00 25.00 O ATOM 0 H GLY A 40 -2.340 8.821 15.845 1.00 25.00 H new ATOM 0 HA2 GLY A 40 -2.399 8.202 18.031 1.00 25.00 H new ATOM 0 HA3 GLY A 40 -1.397 6.803 17.698 1.00 25.00 H new ATOM 588 N PHE A 41 -0.231 8.627 19.439 1.00 25.00 N ATOM 589 CA PHE A 41 0.852 9.275 20.158 1.00 25.00 C ATOM 590 C PHE A 41 1.525 8.130 20.885 1.00 25.00 C ATOM 591 O PHE A 41 0.968 7.000 20.863 1.00 25.00 O ATOM 592 CB PHE A 41 0.319 10.335 21.111 1.00 25.00 C ATOM 593 CG PHE A 41 -0.330 11.522 20.483 1.00 25.00 C ATOM 594 CD1 PHE A 41 0.349 12.613 19.914 1.00 25.00 C ATOM 595 CD2 PHE A 41 -1.759 11.553 20.447 1.00 25.00 C ATOM 596 CE1 PHE A 41 -0.323 13.703 19.359 1.00 25.00 C ATOM 597 CE2 PHE A 41 -2.458 12.612 19.787 1.00 25.00 C ATOM 598 CZ PHE A 41 -1.749 13.710 19.294 1.00 25.00 C ATOM 0 H PHE A 41 -0.940 8.200 20.036 1.00 25.00 H new ATOM 0 HA PHE A 41 1.544 9.812 19.509 1.00 25.00 H new ATOM 0 HB2 PHE A 41 -0.403 9.864 21.778 1.00 25.00 H new ATOM 0 HB3 PHE A 41 1.145 10.684 21.731 1.00 25.00 H new ATOM 0 HD1 PHE A 41 1.429 12.608 19.906 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -2.320 10.764 20.926 1.00 25.00 H new ATOM 0 HE1 PHE A 41 0.237 14.544 18.978 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -3.531 12.563 19.670 1.00 25.00 H new ATOM 0 HZ PHE A 41 -2.273 14.553 18.869 1.00 25.00 H new ATOM 608 N PRO A 42 2.730 8.289 21.466 1.00 25.00 N ATOM 609 CA PRO A 42 3.622 9.459 21.510 1.00 25.00 C ATOM 610 C PRO A 42 4.095 9.872 20.126 1.00 25.00 C ATOM 611 O PRO A 42 3.905 10.994 19.747 1.00 25.00 O ATOM 612 CB PRO A 42 4.762 8.966 22.472 1.00 25.00 C ATOM 613 CG PRO A 42 4.711 7.496 22.433 1.00 25.00 C ATOM 614 CD PRO A 42 3.284 7.147 22.234 1.00 25.00 C ATOM 0 HA PRO A 42 3.151 10.374 21.869 1.00 25.00 H new ATOM 0 HB2 PRO A 42 5.735 9.332 22.145 1.00 25.00 H new ATOM 0 HB3 PRO A 42 4.606 9.336 23.485 1.00 25.00 H new ATOM 0 HG2 PRO A 42 5.326 7.105 21.623 1.00 25.00 H new ATOM 0 HG3 PRO A 42 5.093 7.067 23.359 1.00 25.00 H new ATOM 0 HD2 PRO A 42 3.176 6.210 21.687 1.00 25.00 H new ATOM 0 HD3 PRO A 42 2.769 7.021 23.186 1.00 25.00 H new ATOM 622 N HIS A 43 4.722 8.981 19.382 1.00 25.00 N ATOM 623 CA HIS A 43 4.414 8.721 17.996 1.00 25.00 C ATOM 624 C HIS A 43 4.655 7.289 17.645 1.00 25.00 C ATOM 625 O HIS A 43 4.038 6.678 16.760 1.00 25.00 O ATOM 626 CB HIS A 43 5.175 9.774 17.115 1.00 25.00 C ATOM 627 CG HIS A 43 6.630 9.943 17.499 1.00 25.00 C ATOM 628 ND1 HIS A 43 7.685 9.102 17.069 1.00 25.00 N ATOM 629 CD2 HIS A 43 7.285 10.876 18.286 1.00 25.00 C ATOM 630 CE1 HIS A 43 8.803 9.546 17.565 1.00 25.00 C ATOM 631 NE2 HIS A 43 8.587 10.517 18.380 1.00 25.00 N ATOM 0 H HIS A 43 5.482 8.403 19.740 1.00 25.00 H new ATOM 0 HA HIS A 43 3.351 8.854 17.793 1.00 25.00 H new ATOM 0 HB2 HIS A 43 5.116 9.472 16.069 1.00 25.00 H new ATOM 0 HB3 HIS A 43 4.671 10.737 17.197 1.00 25.00 H new ATOM 0 HD1 HIS A 43 7.585 8.283 16.469 1.00 25.00 H new ATOM 0 HD2 HIS A 43 6.834 11.743 18.746 1.00 25.00 H new ATOM 0 HE1 HIS A 43 9.780 9.153 17.325 1.00 25.00 H new ATOM 639 N SER A 44 5.664 6.721 18.342 1.00 25.00 N ATOM 640 CA SER A 44 6.218 5.371 18.157 1.00 25.00 C ATOM 641 C SER A 44 6.992 5.073 16.861 1.00 25.00 C ATOM 642 O SER A 44 8.211 4.708 16.804 1.00 25.00 O ATOM 643 CB SER A 44 5.152 4.272 18.353 1.00 25.00 C ATOM 644 OG SER A 44 4.225 4.717 19.363 1.00 25.00 O ATOM 0 H SER A 44 6.138 7.226 19.091 1.00 25.00 H new ATOM 0 HA SER A 44 6.972 5.355 18.944 1.00 25.00 H new ATOM 0 HB2 SER A 44 4.629 4.079 17.416 1.00 25.00 H new ATOM 0 HB3 SER A 44 5.622 3.336 18.655 1.00 25.00 H new ATOM 0 HG SER A 44 3.538 4.032 19.501 1.00 25.00 H new ATOM 650 N GLY A 45 6.294 5.372 15.781 1.00 25.00 N ATOM 651 CA GLY A 45 6.799 5.288 14.441 1.00 25.00 C ATOM 652 C GLY A 45 7.740 6.458 14.284 1.00 25.00 C ATOM 653 O GLY A 45 8.233 6.967 15.303 1.00 25.00 O ATOM 0 H GLY A 45 5.326 5.691 15.824 1.00 25.00 H new ATOM 0 HA2 GLY A 45 7.318 4.344 14.277 1.00 25.00 H new ATOM 0 HA3 GLY A 45 5.989 5.337 13.714 1.00 25.00 H new ATOM 657 N PRO A 46 7.986 6.884 13.047 1.00 25.00 N ATOM 658 CA PRO A 46 9.005 7.909 12.805 1.00 25.00 C ATOM 659 C PRO A 46 8.556 9.243 13.406 1.00 25.00 C ATOM 660 O PRO A 46 7.442 9.382 13.916 1.00 25.00 O ATOM 661 CB PRO A 46 8.999 8.003 11.287 1.00 25.00 C ATOM 662 CG PRO A 46 7.659 7.664 10.874 1.00 25.00 C ATOM 663 CD PRO A 46 7.339 6.490 11.773 1.00 25.00 C ATOM 0 HA PRO A 46 9.979 7.679 13.237 1.00 25.00 H new ATOM 0 HB2 PRO A 46 9.267 9.007 10.957 1.00 25.00 H new ATOM 0 HB3 PRO A 46 9.727 7.319 10.851 1.00 25.00 H new ATOM 0 HG2 PRO A 46 6.965 8.492 11.022 1.00 25.00 H new ATOM 0 HG3 PRO A 46 7.613 7.394 9.819 1.00 25.00 H new ATOM 0 HD2 PRO A 46 6.265 6.348 11.889 1.00 25.00 H new ATOM 0 HD3 PRO A 46 7.744 5.556 11.383 1.00 25.00 H new ATOM 671 N ALA A 47 9.465 10.239 13.438 1.00 25.00 N ATOM 672 CA ALA A 47 9.161 11.587 13.899 1.00 25.00 C ATOM 673 C ALA A 47 8.008 12.256 13.174 1.00 25.00 C ATOM 674 O ALA A 47 8.042 12.490 12.019 1.00 25.00 O ATOM 675 CB ALA A 47 10.444 12.533 13.762 1.00 25.00 C ATOM 0 H ALA A 47 10.433 10.118 13.141 1.00 25.00 H new ATOM 0 HA ALA A 47 8.864 11.461 14.940 1.00 25.00 H new ATOM 0 HB1 ALA A 47 10.196 13.535 14.111 1.00 25.00 H new ATOM 0 HB2 ALA A 47 11.259 12.130 14.363 1.00 25.00 H new ATOM 0 HB3 ALA A 47 10.752 12.579 12.718 1.00 25.00 H new ATOM 681 N ASP A 48 6.877 12.445 13.813 1.00 25.00 N ATOM 682 CA ASP A 48 5.657 12.970 13.217 1.00 25.00 C ATOM 683 C ASP A 48 5.273 14.287 13.942 1.00 25.00 C ATOM 684 O ASP A 48 5.916 14.721 14.893 1.00 25.00 O ATOM 685 CB ASP A 48 4.542 11.909 13.236 1.00 25.00 C ATOM 686 CG ASP A 48 4.728 10.859 12.101 1.00 25.00 C ATOM 687 OD1 ASP A 48 5.459 11.018 11.049 1.00 25.00 O ATOM 688 OD2 ASP A 48 3.986 9.861 12.235 1.00 25.00 O1- ATOM 0 H ASP A 48 6.771 12.230 14.804 1.00 25.00 H new ATOM 0 HA ASP A 48 5.815 13.208 12.165 1.00 25.00 H new ATOM 0 HB2 ASP A 48 4.536 11.404 14.202 1.00 25.00 H new ATOM 0 HB3 ASP A 48 3.573 12.397 13.126 1.00 25.00 H new ATOM 693 N GLY A 49 4.305 14.922 13.331 1.00 25.00 N ATOM 694 CA GLY A 49 3.845 16.210 13.796 1.00 25.00 C ATOM 695 C GLY A 49 4.651 17.399 13.312 1.00 25.00 C ATOM 696 O GLY A 49 4.286 18.549 13.703 1.00 25.00 O ATOM 0 H GLY A 49 3.818 14.568 12.508 1.00 25.00 H new ATOM 0 HA2 GLY A 49 2.809 16.342 13.483 1.00 25.00 H new ATOM 0 HA3 GLY A 49 3.851 16.208 14.886 1.00 25.00 H new ATOM 700 N GLN A 50 5.751 17.140 12.616 1.00 25.00 N ATOM 701 CA GLN A 50 6.680 18.165 12.321 1.00 25.00 C ATOM 702 C GLN A 50 6.244 18.831 11.022 1.00 25.00 C ATOM 703 O GLN A 50 6.571 19.988 10.804 1.00 25.00 O ATOM 704 CB GLN A 50 8.148 17.704 12.191 1.00 25.00 C ATOM 705 CG GLN A 50 8.689 17.021 13.433 1.00 25.00 C ATOM 706 CD GLN A 50 8.505 17.805 14.714 1.00 25.00 C ATOM 707 OE1 GLN A 50 8.937 18.947 14.757 1.00 25.00 O ATOM 708 NE2 GLN A 50 7.814 17.279 15.707 1.00 25.00 N ATOM 0 H GLN A 50 6.001 16.219 12.255 1.00 25.00 H new ATOM 0 HA GLN A 50 6.671 18.848 13.170 1.00 25.00 H new ATOM 0 HB2 GLN A 50 8.230 17.020 11.347 1.00 25.00 H new ATOM 0 HB3 GLN A 50 8.771 18.568 11.963 1.00 25.00 H new ATOM 0 HG2 GLN A 50 8.200 16.053 13.542 1.00 25.00 H new ATOM 0 HG3 GLN A 50 9.752 16.827 13.291 1.00 25.00 H new ATOM 0 HE21 GLN A 50 7.468 16.322 15.637 1.00 25.00 H new ATOM 0 HE22 GLN A 50 7.625 17.829 16.545 1.00 25.00 H new ATOM 717 N ILE A 51 5.565 18.107 10.150 1.00 25.00 N ATOM 718 CA ILE A 51 5.101 18.731 8.901 1.00 25.00 C ATOM 719 C ILE A 51 3.966 19.630 9.218 1.00 25.00 C ATOM 720 O ILE A 51 3.901 20.667 8.599 1.00 25.00 O ATOM 721 CB ILE A 51 4.710 17.634 7.818 1.00 25.00 C ATOM 722 CG1 ILE A 51 6.033 16.888 7.509 1.00 25.00 C ATOM 723 CG2 ILE A 51 4.083 18.308 6.572 1.00 25.00 C ATOM 724 CD1 ILE A 51 5.871 15.680 6.630 1.00 25.00 C ATOM 0 H ILE A 51 5.324 17.123 10.265 1.00 25.00 H new ATOM 0 HA ILE A 51 5.906 19.318 8.459 1.00 25.00 H new ATOM 0 HB ILE A 51 3.953 16.933 8.170 1.00 25.00 H new ATOM 0 HG12 ILE A 51 6.724 17.581 7.030 1.00 25.00 H new ATOM 0 HG13 ILE A 51 6.491 16.580 8.449 1.00 25.00 H new ATOM 0 HG21 ILE A 51 3.820 17.545 5.839 1.00 25.00 H new ATOM 0 HG22 ILE A 51 3.186 18.853 6.866 1.00 25.00 H new ATOM 0 HG23 ILE A 51 4.801 19.001 6.133 1.00 25.00 H new ATOM 0 HD11 ILE A 51 6.844 15.218 6.464 1.00 25.00 H new ATOM 0 HD12 ILE A 51 5.207 14.964 7.114 1.00 25.00 H new ATOM 0 HD13 ILE A 51 5.444 15.981 5.673 1.00 25.00 H new ATOM 736 N ALA A 52 3.139 19.336 10.212 1.00 25.00 N ATOM 737 CA ALA A 52 2.081 20.230 10.589 1.00 25.00 C ATOM 738 C ALA A 52 2.503 21.611 11.182 1.00 25.00 C ATOM 739 O ALA A 52 1.755 22.568 11.064 1.00 25.00 O ATOM 740 CB ALA A 52 1.144 19.493 11.601 1.00 25.00 C ATOM 0 H ALA A 52 3.190 18.481 10.766 1.00 25.00 H new ATOM 0 HA ALA A 52 1.582 20.486 9.654 1.00 25.00 H new ATOM 0 HB1 ALA A 52 0.334 20.159 11.898 1.00 25.00 H new ATOM 0 HB2 ALA A 52 0.728 18.603 11.129 1.00 25.00 H new ATOM 0 HB3 ALA A 52 1.717 19.203 12.482 1.00 25.00 H new ATOM 746 N SER A 53 3.691 21.663 11.749 1.00 25.00 N ATOM 747 CA SER A 53 4.207 22.969 12.310 1.00 25.00 C ATOM 748 C SER A 53 5.190 23.610 11.312 1.00 25.00 C ATOM 749 O SER A 53 5.842 24.620 11.635 1.00 25.00 O ATOM 750 CB SER A 53 4.976 22.670 13.594 1.00 25.00 C ATOM 751 OG SER A 53 6.081 21.849 13.275 1.00 25.00 O ATOM 0 H SER A 53 4.323 20.869 11.849 1.00 25.00 H new ATOM 0 HA SER A 53 3.370 23.642 12.496 1.00 25.00 H new ATOM 0 HB2 SER A 53 5.314 23.597 14.057 1.00 25.00 H new ATOM 0 HB3 SER A 53 4.329 22.171 14.315 1.00 25.00 H new ATOM 0 HG SER A 53 6.586 21.649 14.091 1.00 25.00 H new ATOM 757 N ALA A 54 5.315 23.002 10.133 1.00 25.00 N ATOM 758 CA ALA A 54 6.316 23.215 9.106 1.00 25.00 C ATOM 759 C ALA A 54 7.738 23.183 9.527 1.00 25.00 C ATOM 760 O ALA A 54 8.593 23.428 8.748 1.00 25.00 O ATOM 761 CB ALA A 54 6.008 24.483 8.347 1.00 25.00 C ATOM 0 H ALA A 54 4.651 22.280 9.853 1.00 25.00 H new ATOM 0 HA ALA A 54 6.232 22.337 8.466 1.00 25.00 H new ATOM 0 HB1 ALA A 54 6.763 24.638 7.577 1.00 25.00 H new ATOM 0 HB2 ALA A 54 5.026 24.399 7.881 1.00 25.00 H new ATOM 0 HB3 ALA A 54 6.012 25.329 9.035 1.00 25.00 H new ATOM 767 N GLY A 55 8.034 22.682 10.698 1.00 25.00 N ATOM 768 CA GLY A 55 9.403 22.421 11.071 1.00 25.00 C ATOM 769 C GLY A 55 9.981 21.362 10.166 1.00 25.00 C ATOM 770 O GLY A 55 11.154 21.447 9.721 1.00 25.00 O ATOM 0 H GLY A 55 7.345 22.446 11.412 1.00 25.00 H new ATOM 0 HA2 GLY A 55 9.991 23.336 10.999 1.00 25.00 H new ATOM 0 HA3 GLY A 55 9.451 22.092 12.109 1.00 25.00 H new ATOM 774 N GLY A 56 9.169 20.404 9.755 1.00 25.00 N ATOM 775 CA GLY A 56 9.621 19.381 8.836 1.00 25.00 C ATOM 776 C GLY A 56 9.869 19.937 7.434 1.00 25.00 C ATOM 777 O GLY A 56 10.521 19.207 6.651 1.00 25.00 O ATOM 0 H GLY A 56 8.195 20.315 10.044 1.00 25.00 H new ATOM 0 HA2 GLY A 56 10.539 18.933 9.216 1.00 25.00 H new ATOM 0 HA3 GLY A 56 8.877 18.586 8.784 1.00 25.00 H new ATOM 781 N LEU A 57 9.423 21.156 7.121 1.00 25.00 N ATOM 782 CA LEU A 57 9.561 21.787 5.822 1.00 25.00 C ATOM 783 C LEU A 57 10.529 22.942 5.837 1.00 25.00 C ATOM 784 O LEU A 57 11.093 23.337 4.811 1.00 25.00 O ATOM 785 CB LEU A 57 8.261 22.516 5.405 1.00 25.00 C ATOM 786 CG LEU A 57 7.003 21.694 5.326 1.00 25.00 C ATOM 787 CD1 LEU A 57 5.912 22.584 4.777 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.094 20.408 4.541 1.00 50.00 C ATOM 0 H LEU A 57 8.938 21.747 7.797 1.00 25.00 H new ATOM 0 HA LEU A 57 9.861 20.966 5.171 1.00 25.00 H new ATOM 0 HB2 LEU A 57 8.089 23.329 6.111 1.00 25.00 H new ATOM 0 HB3 LEU A 57 8.428 22.971 4.429 1.00 25.00 H new ATOM 0 HG LEU A 57 6.791 21.349 6.338 1.00 25.00 H new ATOM 0 HD11 LEU A 57 4.983 22.019 4.706 1.00 50.00 H new ATOM 0 HD12 LEU A 57 5.769 23.436 5.442 1.00 50.00 H new ATOM 0 HD13 LEU A 57 6.197 22.940 3.787 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.128 19.904 4.555 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.373 20.630 3.511 1.00 50.00 H new ATOM 0 HD23 LEU A 57 7.848 19.761 4.989 1.00 50.00 H new ATOM 800 N PHE A 58 10.896 23.365 7.011 1.00 25.00 N ATOM 801 CA PHE A 58 11.966 24.356 7.212 1.00 25.00 C ATOM 802 C PHE A 58 13.184 23.425 7.146 1.00 25.00 C ATOM 803 O PHE A 58 14.160 23.676 6.448 1.00 25.00 O ATOM 804 CB PHE A 58 11.911 25.080 8.570 1.00 25.00 C ATOM 805 CG PHE A 58 10.842 26.162 8.634 1.00 25.00 C ATOM 806 CD1 PHE A 58 9.693 26.156 9.512 1.00 50.00 C ATOM 807 CD2 PHE A 58 10.980 27.218 7.734 1.00 50.00 C ATOM 808 CE1 PHE A 58 8.691 27.110 9.422 1.00 25.00 C ATOM 809 CE2 PHE A 58 10.077 28.345 7.775 1.00 25.00 C ATOM 810 CZ PHE A 58 8.898 28.279 8.538 1.00 25.00 C ATOM 0 H PHE A 58 10.469 23.041 7.879 1.00 25.00 H new ATOM 0 HA PHE A 58 11.934 25.179 6.498 1.00 25.00 H new ATOM 0 HB2 PHE A 58 11.725 24.348 9.356 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.884 25.528 8.775 1.00 25.00 H new ATOM 0 HD1 PHE A 58 9.613 25.383 10.262 1.00 50.00 H new ATOM 0 HD2 PHE A 58 11.770 27.193 6.998 1.00 50.00 H new ATOM 0 HE1 PHE A 58 7.777 27.002 9.986 1.00 25.00 H new ATOM 0 HE2 PHE A 58 10.308 29.241 7.218 1.00 25.00 H new ATOM 0 HZ PHE A 58 8.159 29.065 8.480 1.00 25.00 H new ATOM 820 N GLY A 59 13.088 22.259 7.729 1.00 25.00 N ATOM 821 CA GLY A 59 14.162 21.216 7.713 1.00 25.00 C ATOM 822 C GLY A 59 14.229 20.531 6.335 1.00 25.00 C ATOM 823 O GLY A 59 15.215 19.996 5.827 1.00 25.00 O ATOM 0 H GLY A 59 12.258 21.971 8.247 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.124 21.673 7.946 1.00 25.00 H new ATOM 0 HA3 GLY A 59 13.967 20.473 8.486 1.00 25.00 H new ATOM 827 N GLY A 60 13.121 20.777 5.649 1.00 25.00 N ATOM 828 CA GLY A 60 12.936 20.521 4.221 1.00 25.00 C ATOM 829 C GLY A 60 13.809 21.418 3.355 1.00 25.00 C ATOM 830 O GLY A 60 14.139 20.986 2.225 1.00 25.00 O ATOM 0 H GLY A 60 12.291 21.177 6.087 1.00 25.00 H new ATOM 0 HA2 GLY A 60 13.168 19.477 4.008 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.889 20.675 3.959 1.00 25.00 H new ATOM 834 N ILE A 61 14.270 22.575 3.786 1.00 25.00 N ATOM 835 CA ILE A 61 15.097 23.394 2.855 1.00 25.00 C ATOM 836 C ILE A 61 16.485 22.686 2.636 1.00 25.00 C ATOM 837 O ILE A 61 16.897 22.499 1.481 1.00 25.00 O ATOM 838 CB ILE A 61 15.257 24.816 3.489 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.808 25.437 3.529 1.00 25.00 C ATOM 840 CG2 ILE A 61 16.223 25.718 2.695 1.00 25.00 C ATOM 841 CD1 ILE A 61 13.733 26.732 4.331 1.00 25.00 C ATOM 0 H ILE A 61 14.112 22.971 4.713 1.00 25.00 H new ATOM 0 HA ILE A 61 14.625 23.494 1.877 1.00 25.00 H new ATOM 0 HB ILE A 61 15.696 24.738 4.484 1.00 25.00 H new ATOM 0 HG12 ILE A 61 13.473 25.628 2.510 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.119 24.710 3.959 1.00 25.00 H new ATOM 0 HG21 ILE A 61 16.295 26.691 3.181 1.00 25.00 H new ATOM 0 HG22 ILE A 61 17.209 25.255 2.662 1.00 25.00 H new ATOM 0 HG23 ILE A 61 15.849 25.847 1.679 1.00 25.00 H new ATOM 0 HD11 ILE A 61 12.710 27.108 4.320 1.00 25.00 H new ATOM 0 HD12 ILE A 61 14.038 26.541 5.360 1.00 25.00 H new ATOM 0 HD13 ILE A 61 14.397 27.474 3.887 1.00 25.00 H new ATOM 853 N LEU A 62 16.987 22.133 3.736 1.00 25.00 N ATOM 854 CA LEU A 62 18.163 21.292 3.754 1.00 25.00 C ATOM 855 C LEU A 62 18.005 19.894 3.205 1.00 25.00 C ATOM 856 O LEU A 62 18.926 19.352 2.617 1.00 25.00 O ATOM 857 CB LEU A 62 18.683 21.214 5.161 1.00 25.00 C ATOM 858 CG LEU A 62 19.902 22.106 5.520 1.00 25.00 C ATOM 859 CD1 LEU A 62 19.571 23.599 5.420 1.00 75.00 C ATOM 860 CD2 LEU A 62 20.469 21.809 6.918 1.00 75.00 C ATOM 0 H LEU A 62 16.572 22.265 4.658 1.00 25.00 H new ATOM 0 HA LEU A 62 18.861 21.775 3.070 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.867 21.470 5.837 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.952 20.177 5.364 1.00 25.00 H new ATOM 0 HG LEU A 62 20.664 21.857 4.782 1.00 25.00 H new ATOM 0 HD11 LEU A 62 20.452 24.185 5.680 1.00 75.00 H new ATOM 0 HD12 LEU A 62 19.265 23.836 4.401 1.00 75.00 H new ATOM 0 HD13 LEU A 62 18.760 23.839 6.108 1.00 75.00 H new ATOM 0 HD21 LEU A 62 21.319 22.463 7.112 1.00 75.00 H new ATOM 0 HD22 LEU A 62 19.698 21.984 7.668 1.00 75.00 H new ATOM 0 HD23 LEU A 62 20.793 20.769 6.966 1.00 75.00 H new ATOM 872 N ASP A 63 16.854 19.326 3.299 1.00 25.00 N ATOM 873 CA ASP A 63 16.494 17.985 2.830 1.00 25.00 C ATOM 874 C ASP A 63 16.541 17.916 1.316 1.00 25.00 C ATOM 875 O ASP A 63 16.747 16.887 0.719 1.00 25.00 O ATOM 876 CB ASP A 63 15.121 17.584 3.286 1.00 25.00 C ATOM 877 CG ASP A 63 14.810 16.085 3.210 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.567 15.694 3.179 1.00 50.00 O ATOM 879 OD2 ASP A 63 15.715 15.297 3.395 1.00 50.00 O1- ATOM 0 H ASP A 63 16.064 19.802 3.734 1.00 25.00 H new ATOM 0 HA ASP A 63 17.223 17.297 3.258 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.990 17.912 4.317 1.00 25.00 H new ATOM 0 HB3 ASP A 63 14.387 18.120 2.685 1.00 25.00 H new ATOM 884 N GLN A 64 16.304 19.076 0.696 1.00 25.00 N ATOM 885 CA GLN A 64 16.281 19.247 -0.764 1.00 25.00 C ATOM 886 C GLN A 64 17.671 19.643 -1.293 1.00 25.00 C ATOM 887 O GLN A 64 17.727 20.486 -2.184 1.00 25.00 O ATOM 888 CB GLN A 64 15.290 20.361 -1.040 1.00 25.00 C ATOM 889 CG GLN A 64 13.847 19.928 -0.708 1.00 25.00 C ATOM 890 CD GLN A 64 12.816 20.946 -1.141 1.00 25.00 C ATOM 891 OE1 GLN A 64 12.236 20.838 -2.204 1.00 25.00 O ATOM 892 NE2 GLN A 64 12.542 21.919 -0.321 1.00 25.00 N ATOM 0 H GLN A 64 16.119 19.941 1.203 1.00 25.00 H new ATOM 0 HA GLN A 64 16.000 18.318 -1.260 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.553 21.238 -0.449 1.00 25.00 H new ATOM 0 HB3 GLN A 64 15.351 20.653 -2.088 1.00 25.00 H new ATOM 0 HG2 GLN A 64 13.637 18.975 -1.195 1.00 25.00 H new ATOM 0 HG3 GLN A 64 13.760 19.763 0.366 1.00 25.00 H new ATOM 0 HE21 GLN A 64 13.039 21.993 0.567 1.00 25.00 H new ATOM 0 HE22 GLN A 64 11.830 22.607 -0.566 1.00 25.00 H new ATOM 901 N GLN A 65 18.676 19.065 -0.747 1.00 25.00 N ATOM 902 CA GLN A 65 20.087 19.262 -1.126 1.00 25.00 C ATOM 903 C GLN A 65 20.755 17.864 -1.162 1.00 25.00 C ATOM 904 O GLN A 65 21.720 17.573 -0.416 1.00 25.00 O ATOM 905 CB GLN A 65 20.850 20.081 -0.059 1.00 25.00 C ATOM 906 CG GLN A 65 20.271 21.485 0.112 1.00 25.00 C ATOM 907 CD GLN A 65 20.880 22.206 1.313 1.00 25.00 C ATOM 908 OE1 GLN A 65 21.647 21.575 2.061 1.00 25.00 O ATOM 909 NE2 GLN A 65 20.627 23.485 1.497 1.00 25.00 N ATOM 0 H GLN A 65 18.566 18.401 0.019 1.00 25.00 H new ATOM 0 HA GLN A 65 20.121 19.785 -2.082 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.813 19.556 0.895 1.00 25.00 H new ATOM 0 HB3 GLN A 65 21.900 20.155 -0.342 1.00 25.00 H new ATOM 0 HG2 GLN A 65 20.453 22.066 -0.792 1.00 25.00 H new ATOM 0 HG3 GLN A 65 19.190 21.420 0.237 1.00 25.00 H new ATOM 0 HE21 GLN A 65 19.993 23.975 0.866 1.00 25.00 H new ATOM 0 HE22 GLN A 65 21.065 23.985 2.270 1.00 25.00 H new ATOM 918 N SER A 66 20.179 17.022 -2.041 1.00 25.00 N ATOM 919 CA SER A 66 20.287 15.570 -1.901 1.00 25.00 C ATOM 920 C SER A 66 19.751 14.953 -3.218 1.00 25.00 C ATOM 921 O SER A 66 19.142 15.660 -4.032 1.00 25.00 O ATOM 922 CB SER A 66 19.506 15.033 -0.693 1.00 25.00 C ATOM 923 OG SER A 66 18.117 15.021 -0.920 1.00 25.00 O ATOM 0 H SER A 66 19.638 17.327 -2.850 1.00 25.00 H new ATOM 0 HA SER A 66 21.327 15.296 -1.723 1.00 25.00 H new ATOM 0 HB2 SER A 66 19.844 14.022 -0.465 1.00 25.00 H new ATOM 0 HB3 SER A 66 19.724 15.647 0.181 1.00 25.00 H new ATOM 0 HG SER A 66 17.686 15.688 -0.346 1.00 25.00 H new ATOM 929 N GLU A 67 20.013 13.674 -3.329 1.00 25.00 N ATOM 930 CA GLU A 67 19.513 12.896 -4.509 1.00 25.00 C ATOM 931 C GLU A 67 17.977 12.672 -4.356 1.00 25.00 C ATOM 932 O GLU A 67 17.280 12.486 -5.340 1.00 25.00 O ATOM 933 CB GLU A 67 20.125 11.489 -4.463 1.00 25.00 C ATOM 934 CG GLU A 67 21.578 11.351 -4.950 1.00 25.00 C ATOM 935 CD GLU A 67 22.101 9.976 -5.125 1.00 25.00 C ATOM 936 OE1 GLU A 67 21.634 9.142 -5.943 1.00 25.00 O ATOM 937 OE2 GLU A 67 23.095 9.638 -4.431 1.00 25.00 O1- ATOM 0 H GLU A 67 20.552 13.133 -2.653 1.00 25.00 H new ATOM 0 HA GLU A 67 19.765 13.436 -5.422 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.075 11.130 -3.435 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.501 10.827 -5.063 1.00 25.00 H new ATOM 0 HG2 GLU A 67 21.666 11.871 -5.904 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.223 11.871 -4.242 1.00 25.00 H new ATOM 944 N ASN A 68 17.568 12.805 -3.114 1.00 25.00 N ATOM 945 CA ASN A 68 16.142 12.762 -2.812 1.00 25.00 C ATOM 946 C ASN A 68 15.411 14.050 -2.971 1.00 25.00 C ATOM 947 O ASN A 68 14.244 14.209 -2.623 1.00 25.00 O ATOM 948 CB ASN A 68 15.942 12.207 -1.395 1.00 25.00 C ATOM 949 CG ASN A 68 16.545 10.865 -1.215 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.565 10.057 -2.159 1.00 25.00 O ATOM 951 ND2 ASN A 68 17.004 10.515 0.021 1.00 25.00 N ATOM 0 H ASN A 68 18.180 12.941 -2.309 1.00 25.00 H new ATOM 0 HA ASN A 68 15.702 12.106 -3.563 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.380 12.897 -0.674 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.875 12.153 -1.178 1.00 25.00 H new ATOM 0 HD21 ASN A 68 17.371 9.577 0.182 1.00 25.00 H new ATOM 0 HD22 ASN A 68 16.980 11.191 0.784 1.00 25.00 H new ATOM 958 N ARG A 69 16.115 15.031 -3.543 1.00 25.00 N ATOM 959 CA ARG A 69 15.502 16.254 -4.116 1.00 25.00 C ATOM 960 C ARG A 69 14.721 15.829 -5.363 1.00 25.00 C ATOM 961 O ARG A 69 15.217 15.730 -6.529 1.00 25.00 O ATOM 962 CB ARG A 69 16.490 17.358 -4.550 1.00 25.00 C ATOM 963 CG ARG A 69 15.847 18.693 -4.885 1.00 25.00 C ATOM 964 CD ARG A 69 16.898 19.629 -5.369 1.00 25.00 C ATOM 965 NE ARG A 69 16.491 21.061 -5.430 1.00 25.00 N ATOM 966 CZ ARG A 69 17.218 22.146 -5.717 1.00 25.00 C ATOM 967 NH1 ARG A 69 16.689 23.333 -5.722 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.455 22.092 -6.120 1.00 25.00 N ATOM 0 H ARG A 69 17.131 15.008 -3.627 1.00 25.00 H new ATOM 0 HA ARG A 69 14.894 16.687 -3.322 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.216 17.511 -3.751 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.044 17.008 -5.421 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.080 18.561 -5.648 1.00 25.00 H new ATOM 0 HG3 ARG A 69 15.353 19.104 -4.005 1.00 25.00 H new ATOM 0 HD2 ARG A 69 17.768 19.542 -4.718 1.00 25.00 H new ATOM 0 HD3 ARG A 69 17.212 19.314 -6.364 1.00 25.00 H new ATOM 0 HE ARG A 69 15.509 21.241 -5.221 1.00 25.00 H new ATOM 0 HH11 ARG A 69 15.700 23.451 -5.504 1.00 25.00 H new ATOM 0 HH12 ARG A 69 17.263 24.146 -5.944 1.00 25.00 H new ATOM 0 HH21 ARG A 69 18.916 21.189 -6.231 1.00 25.00 H new ATOM 0 HH22 ARG A 69 18.963 22.953 -6.325 1.00 25.00 H new ATOM 982 N TRP A 70 13.515 15.461 -4.988 1.00 25.00 N ATOM 983 CA TRP A 70 12.448 15.213 -5.901 1.00 25.00 C ATOM 984 C TRP A 70 12.315 16.143 -7.071 1.00 25.00 C ATOM 985 O TRP A 70 12.559 17.315 -6.968 1.00 25.00 O ATOM 986 CB TRP A 70 11.139 15.293 -5.080 1.00 25.00 C ATOM 987 CG TRP A 70 11.216 16.223 -3.871 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.477 17.563 -3.910 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.065 15.877 -2.504 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.601 18.034 -2.658 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.367 17.038 -1.768 1.00 25.00 C ATOM 992 CE3 TRP A 70 10.959 14.653 -1.781 1.00 25.00 C ATOM 993 CZ2 TRP A 70 11.389 17.073 -0.356 1.00 25.00 C ATOM 994 CZ3 TRP A 70 11.021 14.699 -0.324 1.00 25.00 C ATOM 995 CH2 TRP A 70 11.228 15.910 0.343 1.00 25.00 C ATOM 0 H TRP A 70 13.254 15.326 -4.011 1.00 25.00 H new ATOM 0 HA TRP A 70 12.662 14.243 -6.350 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.334 15.629 -5.733 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.875 14.292 -4.738 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.570 18.154 -4.810 1.00 25.00 H new ATOM 0 HE1 TRP A 70 11.836 18.996 -2.414 1.00 25.00 H new ATOM 0 HE3 TRP A 70 10.836 13.714 -2.300 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.531 18.008 0.165 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.906 13.788 0.245 1.00 25.00 H new ATOM 0 HH2 TRP A 70 11.261 15.927 1.422 1.00 25.00 H new ATOM 1006 N PHE A 71 11.821 15.563 -8.170 1.00 25.00 N ATOM 1007 CA PHE A 71 11.861 16.200 -9.531 1.00 25.00 C ATOM 1008 C PHE A 71 10.847 17.317 -9.659 1.00 25.00 C ATOM 1009 O PHE A 71 9.688 17.249 -9.237 1.00 25.00 O ATOM 1010 CB PHE A 71 11.527 15.109 -10.548 1.00 25.00 C ATOM 1011 CG PHE A 71 10.042 14.672 -10.673 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.345 14.206 -9.573 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.362 14.876 -11.889 1.00 50.00 C ATOM 1014 CE1 PHE A 71 7.966 13.825 -9.693 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.062 14.468 -12.055 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.339 13.932 -10.889 1.00 25.00 C ATOM 0 H PHE A 71 11.380 14.643 -8.163 1.00 25.00 H new ATOM 0 HA PHE A 71 12.848 16.631 -9.699 1.00 25.00 H new ATOM 0 HB2 PHE A 71 11.860 15.450 -11.528 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.117 14.227 -10.300 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.842 14.128 -8.617 1.00 50.00 H new ATOM 0 HD2 PHE A 71 9.873 15.363 -12.707 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.430 13.454 -8.832 1.00 25.00 H new ATOM 0 HE2 PHE A 71 7.580 14.538 -13.019 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.309 13.624 -10.988 1.00 25.00 H new ATOM 1026 N LYS A 72 11.348 18.393 -10.327 1.00 25.00 N ATOM 1027 CA LYS A 72 10.442 19.359 -10.986 1.00 25.00 C ATOM 1028 C LYS A 72 9.963 18.739 -12.266 1.00 25.00 C ATOM 1029 O LYS A 72 10.691 17.898 -12.839 1.00 25.00 O ATOM 1030 CB LYS A 72 11.121 20.708 -11.271 1.00 25.00 C ATOM 1031 CG LYS A 72 11.263 21.590 -10.010 1.00 25.00 C ATOM 1032 CD LYS A 72 12.127 22.869 -10.280 1.00 25.00 C ATOM 1033 CE LYS A 72 12.013 23.895 -9.164 1.00 25.00 C ATOM 1034 NZ LYS A 72 12.356 23.392 -7.803 1.00 25.00 N1+ ATOM 0 H LYS A 72 12.342 18.604 -10.419 1.00 25.00 H new ATOM 0 HA LYS A 72 9.610 19.572 -10.315 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.109 20.529 -11.696 1.00 25.00 H new ATOM 0 HB3 LYS A 72 10.544 21.248 -12.022 1.00 25.00 H new ATOM 0 HG2 LYS A 72 10.274 21.888 -9.663 1.00 25.00 H new ATOM 0 HG3 LYS A 72 11.719 21.007 -9.210 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.171 22.580 -10.398 1.00 25.00 H new ATOM 0 HD3 LYS A 72 11.814 23.323 -11.220 1.00 25.00 H new ATOM 0 HE2 LYS A 72 12.665 24.737 -9.398 1.00 25.00 H new ATOM 0 HE3 LYS A 72 10.992 24.277 -9.146 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 11.651 23.734 -7.119 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 12.358 22.352 -7.808 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 13.298 23.739 -7.532 1.00 25.00 H new ATOM 1048 N HIS A 73 8.822 19.137 -12.742 1.00 25.00 N ATOM 1049 CA HIS A 73 8.478 18.991 -14.172 1.00 25.00 C ATOM 1050 C HIS A 73 7.938 20.382 -14.472 1.00 25.00 C ATOM 1051 O HIS A 73 7.176 20.850 -13.637 1.00 25.00 O ATOM 1052 CB HIS A 73 7.485 17.854 -14.576 1.00 25.00 C ATOM 1053 CG HIS A 73 7.859 17.221 -15.868 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.883 16.287 -16.034 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.374 17.411 -17.115 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.962 15.898 -17.344 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.988 16.511 -18.004 1.00 25.00 N ATOM 0 H HIS A 73 8.092 19.571 -12.177 1.00 25.00 H new ATOM 0 HA HIS A 73 9.340 18.666 -14.755 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.464 17.096 -13.793 1.00 25.00 H new ATOM 0 HB3 HIS A 73 6.477 18.262 -14.651 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.628 18.143 -17.387 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.686 15.216 -17.764 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.731 16.357 -18.979 1.00 25.00 H new ATOM 1065 N ILE A 74 8.434 21.066 -15.471 1.00 25.00 N ATOM 1066 CA ILE A 74 8.200 22.532 -15.682 1.00 25.00 C ATOM 1067 C ILE A 74 7.075 22.619 -16.687 1.00 25.00 C ATOM 1068 O ILE A 74 7.168 22.208 -17.812 1.00 25.00 O ATOM 1069 CB ILE A 74 9.480 23.194 -16.302 1.00 25.00 C ATOM 1070 CG1 ILE A 74 10.665 23.109 -15.256 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.277 24.618 -16.817 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.001 22.785 -15.919 1.00 25.00 C ATOM 0 H ILE A 74 9.024 20.645 -16.188 1.00 25.00 H new ATOM 0 HA ILE A 74 7.968 23.039 -14.745 1.00 25.00 H new ATOM 0 HB ILE A 74 9.729 22.625 -17.198 1.00 25.00 H new ATOM 0 HG12 ILE A 74 10.746 24.057 -14.725 1.00 25.00 H new ATOM 0 HG13 ILE A 74 10.436 22.345 -14.513 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.214 24.994 -17.227 1.00 25.00 H new ATOM 0 HG22 ILE A 74 8.514 24.618 -17.596 1.00 25.00 H new ATOM 0 HG23 ILE A 74 8.957 25.260 -15.996 1.00 25.00 H new ATOM 0 HD11 ILE A 74 12.782 22.738 -15.160 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.931 21.824 -16.428 1.00 25.00 H new ATOM 0 HD13 ILE A 74 12.246 23.562 -16.643 1.00 25.00 H new ATOM 1084 N MET A 75 5.940 23.184 -16.281 1.00 25.00 N ATOM 1085 CA MET A 75 4.790 23.254 -17.162 1.00 25.00 C ATOM 1086 C MET A 75 4.191 24.696 -17.138 1.00 25.00 C ATOM 1087 O MET A 75 4.378 25.402 -16.149 1.00 25.00 O ATOM 1088 CB MET A 75 3.773 22.174 -16.709 1.00 25.00 C ATOM 1089 CG MET A 75 2.733 21.916 -17.724 1.00 25.00 C ATOM 1090 SD MET A 75 1.723 20.448 -17.399 1.00 25.00 S ATOM 1091 CE MET A 75 0.334 20.479 -18.430 1.00 25.00 C ATOM 0 H MET A 75 5.798 23.594 -15.358 1.00 25.00 H new ATOM 0 HA MET A 75 5.068 23.052 -18.196 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.304 21.247 -16.494 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.299 22.493 -15.781 1.00 25.00 H new ATOM 0 HG2 MET A 75 2.079 22.786 -17.787 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.211 21.806 -18.697 1.00 25.00 H new ATOM 0 HE1 MET A 75 -0.280 19.598 -18.240 1.00 25.00 H new ATOM 0 HE2 MET A 75 -0.249 21.378 -18.228 1.00 25.00 H new ATOM 0 HE3 MET A 75 0.654 20.481 -19.472 1.00 25.00 H new ATOM 1101 N THR A 76 3.513 25.130 -18.179 1.00 25.00 N ATOM 1102 CA THR A 76 2.852 26.438 -18.165 1.00 25.00 C ATOM 1103 C THR A 76 1.631 26.313 -17.311 1.00 25.00 C ATOM 1104 O THR A 76 1.136 25.188 -17.100 1.00 25.00 O ATOM 1105 CB THR A 76 2.567 26.834 -19.658 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.890 25.696 -20.266 1.00 25.00 O ATOM 1107 CG2 THR A 76 3.809 27.137 -20.434 1.00 25.00 C ATOM 0 H THR A 76 3.399 24.606 -19.047 1.00 25.00 H new ATOM 0 HA THR A 76 3.456 27.237 -17.736 1.00 25.00 H new ATOM 0 HB THR A 76 1.967 27.744 -19.674 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.689 25.898 -21.204 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.543 27.403 -21.457 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.335 27.970 -19.967 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.455 26.259 -20.444 1.00 25.00 H new ATOM 1115 N GLY A 77 1.132 27.401 -16.801 1.00 25.00 N ATOM 1116 CA GLY A 77 -0.084 27.416 -16.016 1.00 25.00 C ATOM 1117 C GLY A 77 -1.349 27.144 -16.756 1.00 25.00 C ATOM 1118 O GLY A 77 -1.352 26.875 -17.960 1.00 25.00 O ATOM 0 H GLY A 77 1.559 28.320 -16.916 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.013 26.677 -15.220 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -0.170 28.391 -15.537 1.00 25.00 H new ATOM 1122 N GLY A 78 -2.475 27.199 -16.074 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.737 26.813 -16.734 1.00 25.00 C ATOM 1124 C GLY A 78 -4.636 25.875 -15.909 1.00 25.00 C ATOM 1125 O GLY A 78 -4.284 25.542 -14.762 1.00 25.00 O ATOM 0 H GLY A 78 -2.559 27.493 -15.101 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -4.299 27.717 -16.970 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -3.502 26.328 -17.681 1.00 25.00 H new ATOM 1129 N GLU A 79 -5.637 25.283 -16.504 1.00 25.00 N ATOM 1130 CA GLU A 79 -6.321 24.133 -15.942 1.00 25.00 C ATOM 1131 C GLU A 79 -5.405 22.935 -16.024 1.00 25.00 C ATOM 1132 O GLU A 79 -4.787 22.693 -17.034 1.00 25.00 O ATOM 1133 CB GLU A 79 -7.671 23.896 -16.746 1.00 25.00 C ATOM 1134 CG GLU A 79 -8.470 22.676 -16.332 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.938 22.732 -14.907 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.853 23.576 -14.601 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -8.382 22.002 -14.042 1.00 25.00 O1- ATOM 0 H GLU A 79 -6.010 25.584 -17.404 1.00 25.00 H new ATOM 0 HA GLU A 79 -6.573 24.299 -14.895 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -8.301 24.778 -16.632 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -7.432 23.810 -17.806 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -9.335 22.576 -16.988 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.859 21.784 -16.472 1.00 25.00 H new ATOM 1144 N HIS A 80 -5.341 22.176 -14.955 1.00 25.00 N ATOM 1145 CA HIS A 80 -4.261 21.164 -14.811 1.00 25.00 C ATOM 1146 C HIS A 80 -4.777 19.864 -14.341 1.00 25.00 C ATOM 1147 O HIS A 80 -5.649 19.908 -13.521 1.00 25.00 O ATOM 1148 CB HIS A 80 -3.233 21.599 -13.843 1.00 25.00 C ATOM 1149 CG HIS A 80 -2.068 22.268 -14.476 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.858 21.600 -14.681 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -1.845 23.496 -15.006 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.023 22.404 -15.246 1.00 25.00 C ATOM 1153 NE2 HIS A 80 -0.543 23.607 -15.385 1.00 25.00 N ATOM 0 H HIS A 80 -5.997 22.219 -14.175 1.00 25.00 H new ATOM 0 HA HIS A 80 -3.829 21.057 -15.806 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -3.687 22.281 -13.125 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -2.883 20.732 -13.282 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -2.590 24.271 -15.112 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.026 22.137 -15.544 1.00 25.00 H new ATOM 0 HE2 HIS A 80 -0.082 24.455 -15.715 1.00 25.00 H new ATOM 1161 N THR A 81 -4.279 18.757 -14.852 1.00 25.00 N ATOM 1162 CA THR A 81 -4.606 17.434 -14.299 1.00 25.00 C ATOM 1163 C THR A 81 -3.351 16.671 -13.919 1.00 25.00 C ATOM 1164 O THR A 81 -2.457 16.520 -14.753 1.00 25.00 O ATOM 1165 CB THR A 81 -5.433 16.687 -15.348 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.307 17.608 -16.009 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.406 15.618 -14.670 1.00 25.00 C ATOM 0 H THR A 81 -3.644 18.734 -15.650 1.00 25.00 H new ATOM 0 HA THR A 81 -5.183 17.538 -13.380 1.00 25.00 H new ATOM 0 HB THR A 81 -4.725 16.206 -16.023 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.836 17.131 -16.682 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.979 15.105 -15.443 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.816 14.890 -14.113 1.00 25.00 H new ATOM 0 HG23 THR A 81 -7.089 16.127 -13.990 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.306 16.107 -12.734 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.145 15.350 -12.251 1.00 25.00 C ATOM 1177 C PHE A 82 -2.774 13.875 -12.193 1.00 25.00 C ATOM 1178 O PHE A 82 -3.827 13.655 -11.590 1.00 25.00 O ATOM 1179 CB PHE A 82 -1.766 15.934 -10.908 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.466 17.437 -10.920 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.258 17.955 -11.439 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.317 18.405 -10.350 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.074 19.317 -11.376 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -2.018 19.776 -10.375 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.815 20.252 -10.873 1.00 25.00 C ATOM 0 H PHE A 82 -4.073 16.154 -12.064 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.226 15.367 -12.837 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -2.577 15.746 -10.204 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -0.889 15.406 -10.533 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.439 17.274 -11.904 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.232 18.080 -9.877 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.042 19.642 -11.727 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.745 20.479 -9.996 1.00 25.00 H new ATOM 0 HZ PHE A 82 -0.581 21.306 -10.869 1.00 25.00 H new ATOM 1195 N THR A 83 -2.178 12.894 -12.850 1.00 25.00 N ATOM 1196 CA THR A 83 -2.736 11.517 -12.916 1.00 25.00 C ATOM 1197 C THR A 83 -1.739 10.481 -12.440 1.00 25.00 C ATOM 1198 O THR A 83 -0.526 10.378 -12.811 1.00 25.00 O ATOM 1199 CB THR A 83 -3.268 11.257 -14.321 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.063 12.354 -14.724 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.140 9.995 -14.424 1.00 25.00 C ATOM 0 H THR A 83 -1.299 13.009 -13.355 1.00 25.00 H new ATOM 0 HA THR A 83 -3.575 11.430 -12.226 1.00 25.00 H new ATOM 0 HB THR A 83 -2.395 11.116 -14.958 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.958 12.270 -14.334 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.483 9.873 -15.451 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.555 9.123 -14.131 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.001 10.093 -13.763 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.276 9.674 -11.537 1.00 25.00 N ATOM 1210 CA TRP A 84 -1.657 8.512 -10.925 1.00 25.00 C ATOM 1211 C TRP A 84 -2.530 7.328 -11.174 1.00 25.00 C ATOM 1212 O TRP A 84 -3.712 7.571 -11.354 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.425 8.753 -9.464 1.00 25.00 C ATOM 1214 CG TRP A 84 -0.275 9.673 -9.216 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.136 11.027 -9.472 1.00 25.00 C ATOM 1216 CD2 TRP A 84 0.960 9.341 -8.590 1.00 25.00 C ATOM 1217 NE1 TRP A 84 1.064 11.512 -9.140 1.00 25.00 N ATOM 1218 CE2 TRP A 84 1.756 10.555 -8.481 1.00 25.00 C ATOM 1219 CE3 TRP A 84 1.464 8.160 -8.092 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 3.081 10.589 -7.949 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 2.754 8.191 -7.474 1.00 25.00 C ATOM 1222 CH2 TRP A 84 3.494 9.406 -7.342 1.00 25.00 C ATOM 0 H TRP A 84 -3.223 9.827 -11.190 1.00 25.00 H new ATOM 0 HA TRP A 84 -0.679 8.321 -11.366 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.327 9.175 -9.020 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.240 7.801 -8.966 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.922 11.633 -9.899 1.00 25.00 H new ATOM 0 HE1 TRP A 84 1.403 12.451 -9.349 1.00 25.00 H new ATOM 0 HE3 TRP A 84 0.903 7.240 -8.166 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 3.712 11.463 -8.013 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 3.179 7.272 -7.098 1.00 25.00 H new ATOM 0 HH2 TRP A 84 4.400 9.407 -6.754 1.00 25.00 H new ATOM 1233 N THR A 85 -1.988 6.139 -11.154 1.00 25.00 N ATOM 1234 CA THR A 85 -2.699 4.839 -11.188 1.00 25.00 C ATOM 1235 C THR A 85 -2.179 4.081 -9.932 1.00 25.00 C ATOM 1236 O THR A 85 -0.951 4.107 -9.561 1.00 25.00 O ATOM 1237 CB THR A 85 -2.408 4.094 -12.524 1.00 25.00 C ATOM 1238 OG1 THR A 85 -1.025 3.951 -12.713 1.00 25.00 O ATOM 1239 CG2 THR A 85 -3.085 4.681 -13.681 1.00 25.00 C ATOM 0 H THR A 85 -0.976 6.019 -11.111 1.00 25.00 H new ATOM 0 HA THR A 85 -3.784 4.935 -11.158 1.00 25.00 H new ATOM 0 HB THR A 85 -2.839 3.097 -12.438 1.00 25.00 H new ATOM 0 HG1 THR A 85 -0.857 3.480 -13.556 1.00 25.00 H new ATOM 0 HG21 THR A 85 -2.836 4.111 -14.576 1.00 25.00 H new ATOM 0 HG22 THR A 85 -4.163 4.656 -13.523 1.00 25.00 H new ATOM 0 HG23 THR A 85 -2.760 5.714 -13.807 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.058 3.300 -9.269 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.657 2.269 -8.256 1.00 25.00 C ATOM 1249 C TYR A 86 -2.936 0.935 -8.937 1.00 25.00 C ATOM 1250 O TYR A 86 -3.854 0.813 -9.777 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.557 2.345 -7.046 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.394 3.624 -6.195 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -4.554 4.240 -5.747 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.150 4.136 -5.808 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -4.498 5.384 -4.867 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -2.059 5.347 -5.020 1.00 25.00 C ATOM 1257 CZ TYR A 86 -3.239 5.934 -4.535 1.00 25.00 C ATOM 1258 OH TYR A 86 -3.145 7.038 -3.766 1.00 25.00 O ATOM 0 H TYR A 86 -4.066 3.357 -9.412 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.623 2.405 -7.939 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.593 2.276 -7.377 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.366 1.478 -6.414 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -5.514 3.858 -6.061 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.247 3.621 -6.101 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -5.405 5.813 -4.468 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.098 5.792 -4.808 1.00 25.00 H new ATOM 0 HH TYR A 86 -3.915 7.082 -3.162 1.00 25.00 H new ATOM 1268 N THR A 87 -2.176 -0.085 -8.593 1.00 25.00 N ATOM 1269 CA THR A 87 -2.402 -1.405 -9.147 1.00 25.00 C ATOM 1270 C THR A 87 -3.600 -2.047 -8.493 1.00 25.00 C ATOM 1271 O THR A 87 -4.467 -2.621 -9.084 1.00 25.00 O ATOM 1272 CB THR A 87 -1.150 -2.243 -9.091 1.00 25.00 C ATOM 1273 OG1 THR A 87 -1.356 -3.422 -9.879 1.00 25.00 O ATOM 1274 CG2 THR A 87 -0.692 -2.691 -7.766 1.00 25.00 C ATOM 0 H THR A 87 -1.399 -0.026 -7.935 1.00 25.00 H new ATOM 0 HA THR A 87 -2.641 -1.317 -10.207 1.00 25.00 H new ATOM 0 HB THR A 87 -0.373 -1.573 -9.458 1.00 25.00 H new ATOM 0 HG1 THR A 87 -0.549 -3.977 -9.854 1.00 25.00 H new ATOM 0 HG21 THR A 87 0.217 -3.283 -7.876 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.486 -1.823 -7.140 1.00 25.00 H new ATOM 0 HG23 THR A 87 -1.467 -3.299 -7.300 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.719 -1.808 -7.184 1.00 25.00 N ATOM 1283 CA ALA A 88 -4.939 -2.060 -6.382 1.00 25.00 C ATOM 1284 C ALA A 88 -4.680 -0.973 -5.343 1.00 25.00 C ATOM 1285 O ALA A 88 -3.517 -0.764 -4.977 1.00 25.00 O ATOM 1286 CB ALA A 88 -4.854 -3.513 -5.787 1.00 25.00 C ATOM 0 H ALA A 88 -2.954 -1.424 -6.630 1.00 25.00 H new ATOM 0 HA ALA A 88 -5.915 -2.021 -6.865 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -5.745 -3.716 -5.193 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -4.788 -4.236 -6.600 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -3.970 -3.596 -5.155 1.00 25.00 H new ATOM 1292 N PRO A 89 -5.663 -0.194 -4.913 1.00 25.00 N ATOM 1293 CA PRO A 89 -5.368 0.779 -3.850 1.00 25.00 C ATOM 1294 C PRO A 89 -5.228 0.129 -2.468 1.00 25.00 C ATOM 1295 O PRO A 89 -5.534 -1.039 -2.276 1.00 25.00 O ATOM 1296 CB PRO A 89 -6.641 1.624 -3.930 1.00 25.00 C ATOM 1297 CG PRO A 89 -7.692 0.590 -4.368 1.00 25.00 C ATOM 1298 CD PRO A 89 -7.044 -0.216 -5.334 1.00 25.00 C ATOM 0 HA PRO A 89 -4.426 1.312 -3.976 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -6.890 2.076 -2.970 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -6.545 2.437 -4.650 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -8.032 -0.007 -3.522 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -8.572 1.077 -4.789 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -7.445 -1.230 -5.346 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -7.164 0.186 -6.340 1.00 25.00 H new ATOM 1306 N HIS A 90 -4.818 0.842 -1.433 1.00 25.00 N ATOM 1307 CA HIS A 90 -4.934 0.349 -0.073 1.00 25.00 C ATOM 1308 C HIS A 90 -6.227 0.899 0.420 1.00 25.00 C ATOM 1309 O HIS A 90 -6.697 1.929 -0.105 1.00 25.00 O ATOM 1310 CB HIS A 90 -3.938 1.081 0.816 1.00 0.00 C ATOM 1311 CG HIS A 90 -2.487 0.840 0.513 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -1.612 0.219 1.336 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -1.662 1.374 -0.440 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -0.360 0.328 0.863 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -0.364 1.001 -0.269 1.00 0.00 N ATOM 0 H HIS A 90 -4.400 1.769 -1.510 1.00 25.00 H new ATOM 0 HA HIS A 90 -4.812 -0.734 -0.053 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -4.132 2.151 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.125 0.795 1.851 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -1.868 -0.265 2.197 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.002 2.018 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.520 -0.077 1.340 1.00 0.00 H new ATOM 1323 N ASN A 91 -6.820 0.332 1.432 1.00 25.00 N ATOM 1324 CA ASN A 91 -7.965 1.008 2.135 1.00 25.00 C ATOM 1325 C ASN A 91 -7.688 2.357 2.783 1.00 25.00 C ATOM 1326 O ASN A 91 -6.707 2.448 3.495 1.00 25.00 O ATOM 1327 CB ASN A 91 -8.466 -0.111 3.088 1.00 25.00 C ATOM 1328 CG ASN A 91 -9.792 0.264 3.674 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -10.517 1.070 3.064 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -10.143 -0.313 4.748 1.00 25.00 N ATOM 0 H ASN A 91 -6.564 -0.579 1.812 1.00 25.00 H new ATOM 0 HA ASN A 91 -8.725 1.355 1.435 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -8.554 -1.051 2.543 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -7.740 -0.272 3.885 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -11.060 -0.124 5.152 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -9.508 -0.966 5.207 1.00 25.00 H new ATOM 1337 N THR A 92 -8.465 3.391 2.452 1.00 25.00 N ATOM 1338 CA THR A 92 -8.006 4.762 2.698 1.00 25.00 C ATOM 1339 C THR A 92 -9.215 5.545 3.215 1.00 25.00 C ATOM 1340 O THR A 92 -10.326 5.281 2.783 1.00 25.00 O ATOM 1341 CB THR A 92 -7.569 5.449 1.332 1.00 25.00 C ATOM 1342 OG1 THR A 92 -6.432 4.758 0.782 1.00 25.00 O ATOM 1343 CG2 THR A 92 -7.266 6.937 1.519 1.00 25.00 C ATOM 0 H THR A 92 -9.388 3.312 2.025 1.00 25.00 H new ATOM 0 HA THR A 92 -7.168 4.753 3.395 1.00 25.00 H new ATOM 0 HB THR A 92 -8.402 5.378 0.632 1.00 25.00 H new ATOM 0 HG1 THR A 92 -6.693 3.848 0.530 1.00 25.00 H new ATOM 0 HG21 THR A 92 -6.971 7.371 0.564 1.00 25.00 H new ATOM 0 HG22 THR A 92 -8.156 7.446 1.889 1.00 25.00 H new ATOM 0 HG23 THR A 92 -6.455 7.056 2.237 1.00 25.00 H new ATOM 1351 N SER A 93 -9.060 6.326 4.254 1.00 25.00 N ATOM 1352 CA SER A 93 -10.227 6.971 4.925 1.00 25.00 C ATOM 1353 C SER A 93 -10.477 8.359 4.303 1.00 25.00 C ATOM 1354 O SER A 93 -11.593 8.883 4.260 1.00 25.00 O ATOM 1355 CB SER A 93 -9.950 7.178 6.425 1.00 25.00 C ATOM 1356 OG SER A 93 -8.732 7.908 6.605 1.00 25.00 O ATOM 0 H SER A 93 -8.156 6.547 4.672 1.00 25.00 H new ATOM 0 HA SER A 93 -11.091 6.320 4.794 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.778 7.718 6.884 1.00 25.00 H new ATOM 0 HB3 SER A 93 -9.882 6.213 6.927 1.00 25.00 H new ATOM 0 HG SER A 93 -8.566 8.036 7.562 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.393 8.973 3.809 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.421 10.365 3.261 1.00 25.00 C ATOM 1364 C GLN A 94 -8.086 10.653 2.638 1.00 25.00 C ATOM 1365 O GLN A 94 -7.148 9.913 2.975 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.779 11.442 4.346 1.00 25.00 C ATOM 1367 CG GLN A 94 -8.900 11.503 5.622 1.00 25.00 C ATOM 1368 CD GLN A 94 -9.449 12.409 6.661 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.881 13.487 6.324 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -9.479 12.066 7.888 1.00 25.00 N ATOM 0 H GLN A 94 -8.472 8.536 3.771 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.212 10.426 2.514 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -9.746 12.422 3.869 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -10.810 11.274 4.657 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.802 10.500 6.037 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -7.898 11.835 5.351 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -9.115 11.157 8.172 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -9.867 12.701 8.586 1.00 25.00 H new ATOM 1379 N TRP A 95 -7.950 11.728 1.967 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.655 12.228 1.581 1.00 25.00 C ATOM 1381 C TRP A 95 -6.670 13.752 1.403 1.00 25.00 C ATOM 1382 O TRP A 95 -7.778 14.301 1.350 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.180 11.493 0.277 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.993 11.583 -1.018 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -6.986 12.630 -1.872 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.695 10.507 -1.731 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.545 12.305 -3.075 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -7.936 11.005 -3.024 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.012 9.146 -1.473 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.476 10.233 -4.060 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -8.433 8.357 -2.547 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -8.693 8.940 -3.793 1.00 25.00 C ATOM 0 H TRP A 95 -8.731 12.306 1.658 1.00 25.00 H new ATOM 0 HA TRP A 95 -5.942 12.019 2.379 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.178 11.858 0.051 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.086 10.435 0.523 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.587 13.605 -1.633 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.651 12.930 -3.874 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -7.930 8.734 -0.478 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -8.706 10.660 -5.025 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -8.558 7.292 -2.415 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -9.089 8.314 -4.579 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.518 14.451 1.473 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.489 15.933 1.583 1.00 25.00 C ATOM 1405 C HIS A 96 -4.398 16.598 0.752 1.00 25.00 C ATOM 1406 O HIS A 96 -3.329 16.012 0.625 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.092 16.412 2.987 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.666 15.553 4.102 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.836 15.904 4.777 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.239 14.412 4.721 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.145 15.007 5.651 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.219 14.039 5.631 1.00 25.00 N ATOM 0 H HIS A 96 -4.595 14.018 1.456 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.500 16.196 1.271 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.005 16.419 3.067 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.428 17.440 3.121 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.309 13.895 4.536 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.011 15.032 6.296 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.232 13.182 6.185 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.598 17.766 0.169 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.633 18.431 -0.672 1.00 25.00 C ATOM 1422 C TYR A 97 -3.300 19.819 -0.192 1.00 25.00 C ATOM 1423 O TYR A 97 -4.181 20.564 0.171 1.00 25.00 O ATOM 1424 CB TYR A 97 -4.250 18.605 -2.052 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.625 17.365 -2.735 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.920 16.911 -2.727 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -3.659 16.669 -3.487 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.304 15.732 -3.444 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -4.011 15.424 -4.222 1.00 25.00 C ATOM 1430 CZ TYR A 97 -5.363 15.062 -4.240 1.00 25.00 C ATOM 1431 OH TYR A 97 -5.739 14.128 -5.159 1.00 25.00 O ATOM 0 H TYR A 97 -5.466 18.291 0.275 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.729 17.822 -0.667 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -5.138 19.230 -1.958 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -3.544 19.147 -2.681 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -6.667 17.455 -2.167 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -2.647 17.045 -3.531 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -7.315 15.360 -3.372 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -3.259 14.828 -4.718 1.00 25.00 H new ATOM 0 HH TYR A 97 -4.944 13.776 -5.612 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.032 20.202 -0.221 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.609 21.517 0.214 1.00 25.00 C ATOM 1443 C TYR A 98 -0.529 21.966 -0.767 1.00 25.00 C ATOM 1444 O TYR A 98 -0.051 21.195 -1.600 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.939 21.450 1.621 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.650 20.698 2.732 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.687 19.258 2.763 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.209 21.370 3.799 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.403 18.571 3.864 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.913 20.696 4.846 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.964 19.321 4.851 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.609 18.620 5.851 1.00 25.00 O ATOM 0 H TYR A 98 -1.270 19.607 -0.547 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.469 22.185 0.256 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.047 21.002 1.497 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.783 22.474 1.962 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.197 18.684 1.990 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.112 22.445 3.846 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.478 17.494 3.883 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.401 21.262 5.626 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.974 19.249 6.508 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.207 23.249 -0.705 1.00 25.00 N ATOM 1463 CA ILE A 99 0.911 23.800 -1.415 1.00 25.00 C ATOM 1464 C ILE A 99 1.664 24.713 -0.436 1.00 25.00 C ATOM 1465 O ILE A 99 1.105 25.064 0.605 1.00 25.00 O ATOM 1466 CB ILE A 99 0.414 24.735 -2.641 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.522 25.902 -2.246 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.318 23.802 -3.668 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.856 26.933 -3.324 1.00 25.00 C ATOM 0 H ILE A 99 -0.725 23.933 -0.153 1.00 25.00 H new ATOM 0 HA ILE A 99 1.526 22.988 -1.802 1.00 25.00 H new ATOM 0 HB ILE A 99 1.299 25.218 -3.055 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.458 25.476 -1.886 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.068 26.428 -1.406 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.670 24.395 -4.512 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.374 23.039 -4.024 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.168 23.323 -3.182 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.519 27.692 -2.909 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.062 27.405 -3.673 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.350 26.438 -4.160 1.00 25.00 H new ATOM 1481 N THR A 100 2.869 25.112 -0.764 1.00 25.00 N ATOM 1482 CA THR A 100 3.555 26.150 0.003 1.00 25.00 C ATOM 1483 C THR A 100 3.120 27.575 -0.449 1.00 25.00 C ATOM 1484 O THR A 100 2.609 27.750 -1.572 1.00 25.00 O ATOM 1485 CB THR A 100 5.098 26.090 -0.168 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.462 25.682 -1.480 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.676 25.141 0.802 1.00 25.00 C ATOM 0 H THR A 100 3.402 24.742 -1.551 1.00 25.00 H new ATOM 0 HA THR A 100 3.281 25.963 1.041 1.00 25.00 H new ATOM 0 HB THR A 100 5.486 27.093 0.007 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.439 25.656 -1.555 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.758 25.105 0.675 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.440 25.467 1.815 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.258 24.149 0.634 1.00 25.00 H new ATOM 1495 N LYS A 101 3.166 28.519 0.463 1.00 25.00 N ATOM 1496 CA LYS A 101 2.534 29.879 0.319 1.00 25.00 C ATOM 1497 C LYS A 101 3.677 30.834 -0.091 1.00 25.00 C ATOM 1498 O LYS A 101 4.859 30.471 0.010 1.00 25.00 O ATOM 1499 CB LYS A 101 1.841 30.300 1.651 1.00 25.00 C ATOM 1500 CG LYS A 101 0.996 31.554 1.567 1.00 25.00 C ATOM 1501 CD LYS A 101 0.424 31.895 2.897 1.00 25.00 C ATOM 1502 CE LYS A 101 -0.304 33.215 2.820 1.00 25.00 C ATOM 1503 NZ LYS A 101 -1.064 33.558 3.967 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.645 28.395 1.355 1.00 25.00 H new ATOM 0 HA LYS A 101 1.747 29.895 -0.435 1.00 25.00 H new ATOM 0 HB2 LYS A 101 1.211 29.478 1.990 1.00 25.00 H new ATOM 0 HB3 LYS A 101 2.608 30.448 2.411 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.603 32.383 1.204 1.00 25.00 H new ATOM 0 HG3 LYS A 101 0.191 31.408 0.846 1.00 25.00 H new ATOM 0 HD2 LYS A 101 -0.260 31.111 3.220 1.00 25.00 H new ATOM 0 HD3 LYS A 101 1.219 31.951 3.641 1.00 25.00 H new ATOM 0 HE2 LYS A 101 0.427 34.004 2.640 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.969 33.194 1.957 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.565 34.454 3.797 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -1.756 32.806 4.163 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.430 33.666 4.784 1.00 25.00 H new ATOM 1517 N LYS A 102 3.300 32.007 -0.621 1.00 25.00 N ATOM 1518 CA LYS A 102 4.174 33.155 -0.947 1.00 25.00 C ATOM 1519 C LYS A 102 3.135 34.260 -1.099 1.00 25.00 C ATOM 1520 O LYS A 102 1.932 33.900 -1.105 1.00 25.00 O ATOM 1521 CB LYS A 102 4.817 32.846 -2.316 1.00 25.00 C ATOM 1522 CG LYS A 102 5.980 33.784 -2.542 1.00 25.00 C ATOM 1523 CD LYS A 102 6.860 33.372 -3.711 1.00 25.00 C ATOM 1524 CE LYS A 102 7.939 34.414 -3.913 1.00 25.00 C ATOM 1525 NZ LYS A 102 8.902 34.091 -5.014 1.00 25.00 N1+ ATOM 0 H LYS A 102 2.324 32.195 -0.848 1.00 25.00 H new ATOM 0 HA LYS A 102 4.967 33.388 -0.237 1.00 25.00 H new ATOM 0 HB2 LYS A 102 5.158 31.811 -2.346 1.00 25.00 H new ATOM 0 HB3 LYS A 102 4.081 32.962 -3.111 1.00 25.00 H new ATOM 0 HG2 LYS A 102 5.599 34.790 -2.719 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.585 33.827 -1.637 1.00 25.00 H new ATOM 0 HD2 LYS A 102 7.310 32.398 -3.518 1.00 25.00 H new ATOM 0 HD3 LYS A 102 6.260 33.272 -4.616 1.00 25.00 H new ATOM 0 HE2 LYS A 102 7.467 35.373 -4.127 1.00 25.00 H new ATOM 0 HE3 LYS A 102 8.494 34.532 -2.982 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 9.609 34.850 -5.091 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 9.380 33.192 -4.804 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 8.386 34.007 -5.913 1.00 25.00 H new ATOM 1539 N GLY A 103 3.459 35.556 -1.179 1.00 25.00 N ATOM 1540 CA GLY A 103 2.456 36.580 -1.203 1.00 25.00 C ATOM 1541 C GLY A 103 1.990 36.675 0.274 1.00 25.00 C ATOM 1542 O GLY A 103 0.802 36.418 0.593 1.00 25.00 O ATOM 0 H GLY A 103 4.417 35.902 -1.228 1.00 25.00 H new ATOM 0 HA2 GLY A 103 2.861 37.528 -1.557 1.00 25.00 H new ATOM 0 HA3 GLY A 103 1.632 36.318 -1.867 1.00 25.00 H new ATOM 1546 N TRP A 104 2.932 36.999 1.130 1.00 25.00 N ATOM 1547 CA TRP A 104 2.747 36.915 2.585 1.00 25.00 C ATOM 1548 C TRP A 104 3.515 38.009 3.338 1.00 25.00 C ATOM 1549 O TRP A 104 4.205 38.730 2.631 1.00 25.00 O ATOM 1550 CB TRP A 104 3.083 35.482 3.074 1.00 25.00 C ATOM 1551 CG TRP A 104 4.529 35.075 2.761 1.00 25.00 C ATOM 1552 CD1 TRP A 104 5.534 35.788 2.203 1.00 25.00 C ATOM 1553 CD2 TRP A 104 5.085 33.737 2.906 1.00 25.00 C ATOM 1554 NE1 TRP A 104 6.716 35.025 2.037 1.00 25.00 N ATOM 1555 CE2 TRP A 104 6.424 33.751 2.375 1.00 25.00 C ATOM 1556 CE3 TRP A 104 4.518 32.497 3.227 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 7.231 32.620 2.332 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 5.275 31.377 3.151 1.00 25.00 C ATOM 1559 CH2 TRP A 104 6.639 31.432 2.708 1.00 25.00 C ATOM 0 H TRP A 104 3.855 37.331 0.850 1.00 25.00 H new ATOM 0 HA TRP A 104 1.699 37.106 2.814 1.00 25.00 H new ATOM 0 HB2 TRP A 104 2.917 35.421 4.150 1.00 25.00 H new ATOM 0 HB3 TRP A 104 2.400 34.773 2.606 1.00 25.00 H new ATOM 0 HD1 TRP A 104 5.445 36.825 1.916 1.00 25.00 H new ATOM 0 HE1 TRP A 104 7.621 35.374 1.721 1.00 25.00 H new ATOM 0 HE3 TRP A 104 3.484 32.435 3.533 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 8.264 32.669 2.021 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 4.845 30.426 3.428 1.00 25.00 H new ATOM 0 HH2 TRP A 104 7.217 30.520 2.668 1.00 25.00 H new ATOM 1570 N ASP A 105 3.374 38.223 4.606 1.00 25.00 N ATOM 1571 CA ASP A 105 4.071 39.357 5.296 1.00 25.00 C ATOM 1572 C ASP A 105 4.355 38.827 6.731 1.00 25.00 C ATOM 1573 O ASP A 105 3.481 38.194 7.351 1.00 25.00 O ATOM 1574 CB ASP A 105 3.205 40.582 5.438 1.00 25.00 C ATOM 1575 CG ASP A 105 3.873 41.686 6.272 1.00 25.00 C ATOM 1576 OD1 ASP A 105 4.386 42.676 5.727 1.00 25.00 O ATOM 1577 OD2 ASP A 105 3.789 41.615 7.512 1.00 25.00 O1- ATOM 0 H ASP A 105 2.792 37.651 5.218 1.00 25.00 H new ATOM 0 HA ASP A 105 4.952 39.649 4.724 1.00 25.00 H new ATOM 0 HB2 ASP A 105 2.969 40.972 4.448 1.00 25.00 H new ATOM 0 HB3 ASP A 105 2.260 40.302 5.903 1.00 25.00 H new ATOM 1582 N PRO A 106 5.571 39.075 7.230 1.00 25.00 N ATOM 1583 CA PRO A 106 5.886 38.506 8.568 1.00 25.00 C ATOM 1584 C PRO A 106 5.178 38.884 9.874 1.00 25.00 C ATOM 1585 O PRO A 106 5.176 38.244 10.878 1.00 25.00 O ATOM 1586 CB PRO A 106 7.320 38.935 8.721 1.00 25.00 C ATOM 1587 CG PRO A 106 7.404 40.197 7.977 1.00 25.00 C ATOM 1588 CD PRO A 106 6.649 39.926 6.722 1.00 25.00 C ATOM 0 HA PRO A 106 5.568 37.465 8.506 1.00 25.00 H new ATOM 0 HB2 PRO A 106 7.584 39.073 9.770 1.00 25.00 H new ATOM 0 HB3 PRO A 106 8.004 38.189 8.316 1.00 25.00 H new ATOM 0 HG2 PRO A 106 6.963 41.021 8.538 1.00 25.00 H new ATOM 0 HG3 PRO A 106 8.439 40.470 7.769 1.00 25.00 H new ATOM 0 HD2 PRO A 106 6.273 40.839 6.261 1.00 25.00 H new ATOM 0 HD3 PRO A 106 7.259 39.419 5.974 1.00 25.00 H new ATOM 1596 N ASP A 107 4.459 40.007 9.869 1.00 25.00 N ATOM 1597 CA ASP A 107 3.756 40.470 11.039 1.00 25.00 C ATOM 1598 C ASP A 107 2.480 39.733 11.260 1.00 25.00 C ATOM 1599 O ASP A 107 1.747 39.943 12.265 1.00 25.00 O ATOM 1600 CB ASP A 107 3.504 41.972 10.952 1.00 25.00 C ATOM 1601 CG ASP A 107 3.252 42.578 12.344 1.00 25.00 C ATOM 1602 OD1 ASP A 107 2.380 43.389 12.526 1.00 75.00 O ATOM 1603 OD2 ASP A 107 3.968 42.247 13.292 1.00 75.00 O1- ATOM 0 H ASP A 107 4.355 40.610 9.053 1.00 25.00 H new ATOM 0 HA ASP A 107 4.394 40.268 11.900 1.00 25.00 H new ATOM 0 HB2 ASP A 107 4.362 42.461 10.490 1.00 25.00 H new ATOM 0 HB3 ASP A 107 2.645 42.162 10.309 1.00 25.00 H new ATOM 1608 N LYS A 108 2.265 38.844 10.306 1.00 25.00 N ATOM 1609 CA LYS A 108 1.068 38.160 10.029 1.00 25.00 C ATOM 1610 C LYS A 108 1.606 36.686 9.932 1.00 25.00 C ATOM 1611 O LYS A 108 2.841 36.556 9.971 1.00 25.00 O ATOM 1612 CB LYS A 108 0.415 38.692 8.764 1.00 25.00 C ATOM 1613 CG LYS A 108 -0.213 40.091 9.057 1.00 25.00 C ATOM 1614 CD LYS A 108 -0.756 40.690 7.876 1.00 25.00 C ATOM 1615 CE LYS A 108 -1.177 42.103 8.224 1.00 25.00 C ATOM 1616 NZ LYS A 108 -1.519 42.878 7.064 1.00 25.00 N1+ ATOM 0 H LYS A 108 3.009 38.577 9.661 1.00 25.00 H new ATOM 0 HA LYS A 108 0.267 38.266 10.760 1.00 25.00 H new ATOM 0 HB2 LYS A 108 1.153 38.772 7.966 1.00 25.00 H new ATOM 0 HB3 LYS A 108 -0.354 38.000 8.419 1.00 25.00 H new ATOM 0 HG2 LYS A 108 -0.999 39.987 9.805 1.00 25.00 H new ATOM 0 HG3 LYS A 108 0.546 40.748 9.481 1.00 25.00 H new ATOM 0 HD2 LYS A 108 -0.015 40.698 7.077 1.00 25.00 H new ATOM 0 HD3 LYS A 108 -1.609 40.116 7.514 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -2.033 42.068 8.898 1.00 25.00 H new ATOM 0 HE3 LYS A 108 -0.368 42.598 8.761 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -1.800 43.836 7.357 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 -0.696 42.937 6.431 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -2.309 42.423 6.563 1.00 25.00 H new ATOM 1630 N PRO A 109 0.740 35.618 9.969 1.00 25.00 N ATOM 1631 CA PRO A 109 1.077 34.187 9.975 1.00 25.00 C ATOM 1632 C PRO A 109 2.089 33.557 8.987 1.00 25.00 C ATOM 1633 O PRO A 109 2.106 32.312 8.825 1.00 25.00 O ATOM 1634 CB PRO A 109 -0.271 33.522 9.712 1.00 25.00 C ATOM 1635 CG PRO A 109 -1.244 34.398 10.370 1.00 25.00 C ATOM 1636 CD PRO A 109 -0.716 35.732 10.001 1.00 25.00 C ATOM 0 HA PRO A 109 1.607 34.036 10.915 1.00 25.00 H new ATOM 0 HB2 PRO A 109 -0.471 33.438 8.644 1.00 25.00 H new ATOM 0 HB3 PRO A 109 -0.303 32.513 10.123 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -2.258 34.239 10.002 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -1.270 34.249 11.449 1.00 25.00 H new ATOM 0 HD2 PRO A 109 -1.100 36.044 9.030 1.00 25.00 H new ATOM 0 HD3 PRO A 109 -1.029 36.485 10.725 1.00 25.00 H new ATOM 1644 N LEU A 110 3.041 34.288 8.421 1.00 25.00 N ATOM 1645 CA LEU A 110 4.080 33.754 7.567 1.00 25.00 C ATOM 1646 C LEU A 110 4.806 32.382 7.951 1.00 25.00 C ATOM 1647 O LEU A 110 5.026 31.556 7.034 1.00 25.00 O ATOM 1648 CB LEU A 110 5.127 34.826 7.502 1.00 25.00 C ATOM 1649 CG LEU A 110 6.199 34.656 6.437 1.00 25.00 C ATOM 1650 CD1 LEU A 110 6.552 36.010 5.797 1.00 50.00 C ATOM 1651 CD2 LEU A 110 7.446 34.115 7.045 1.00 50.00 C ATOM 0 H LEU A 110 3.108 35.297 8.551 1.00 25.00 H new ATOM 0 HA LEU A 110 3.569 33.488 6.641 1.00 25.00 H new ATOM 0 HB2 LEU A 110 4.629 35.781 7.337 1.00 25.00 H new ATOM 0 HB3 LEU A 110 5.617 34.886 8.474 1.00 25.00 H new ATOM 0 HG LEU A 110 5.806 33.973 5.684 1.00 25.00 H new ATOM 0 HD11 LEU A 110 7.321 35.864 5.038 1.00 50.00 H new ATOM 0 HD12 LEU A 110 5.662 36.437 5.335 1.00 50.00 H new ATOM 0 HD13 LEU A 110 6.924 36.689 6.564 1.00 50.00 H new ATOM 0 HD21 LEU A 110 8.206 33.998 6.273 1.00 50.00 H new ATOM 0 HD22 LEU A 110 7.807 34.804 7.808 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.238 33.146 7.500 1.00 50.00 H new ATOM 1663 N LYS A 111 5.101 32.122 9.206 1.00 25.00 N ATOM 1664 CA LYS A 111 5.847 30.904 9.616 1.00 25.00 C ATOM 1665 C LYS A 111 4.925 29.772 10.002 1.00 25.00 C ATOM 1666 O LYS A 111 5.445 28.655 10.274 1.00 25.00 O ATOM 1667 CB LYS A 111 6.821 31.106 10.791 1.00 25.00 C ATOM 1668 CG LYS A 111 7.905 32.172 10.461 1.00 25.00 C ATOM 1669 CD LYS A 111 9.129 32.072 11.377 1.00 25.00 C ATOM 1670 CE LYS A 111 8.833 32.316 12.815 1.00 25.00 C ATOM 1671 NZ LYS A 111 10.093 32.353 13.618 1.00 25.00 N1+ ATOM 0 H LYS A 111 4.842 32.731 9.983 1.00 25.00 H new ATOM 0 HA LYS A 111 6.424 30.662 8.723 1.00 25.00 H new ATOM 0 HB2 LYS A 111 6.265 31.414 11.676 1.00 25.00 H new ATOM 0 HB3 LYS A 111 7.303 30.158 11.031 1.00 25.00 H new ATOM 0 HG2 LYS A 111 8.221 32.054 9.425 1.00 25.00 H new ATOM 0 HG3 LYS A 111 7.469 33.167 10.550 1.00 25.00 H new ATOM 0 HD2 LYS A 111 9.569 31.080 11.271 1.00 25.00 H new ATOM 0 HD3 LYS A 111 9.878 32.790 11.044 1.00 25.00 H new ATOM 0 HE2 LYS A 111 8.298 33.259 12.926 1.00 25.00 H new ATOM 0 HE3 LYS A 111 8.178 31.532 13.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 9.863 32.524 14.618 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 10.589 31.443 13.528 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 10.705 33.117 13.268 1.00 25.00 H new ATOM 1685 N ARG A 112 3.678 30.039 10.139 1.00 25.00 N ATOM 1686 CA ARG A 112 2.686 29.104 10.615 1.00 25.00 C ATOM 1687 C ARG A 112 1.786 28.639 9.470 1.00 25.00 C ATOM 1688 O ARG A 112 1.698 27.441 9.127 1.00 25.00 O ATOM 1689 CB ARG A 112 1.763 29.769 11.666 1.00 25.00 C ATOM 1690 CG ARG A 112 2.592 30.312 12.835 1.00 25.00 C ATOM 1691 CD ARG A 112 1.545 30.798 13.892 1.00 25.00 C ATOM 1692 NE ARG A 112 2.199 31.428 15.048 1.00 25.00 N ATOM 1693 CZ ARG A 112 1.545 31.905 16.071 1.00 25.00 C ATOM 1694 NH1 ARG A 112 0.296 31.717 16.306 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 2.244 32.492 17.021 1.00 25.00 N ATOM 0 H ARG A 112 3.287 30.954 9.916 1.00 25.00 H new ATOM 0 HA ARG A 112 3.227 28.264 11.050 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.199 30.579 11.204 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.036 29.044 12.033 1.00 25.00 H new ATOM 0 HG2 ARG A 112 3.240 29.540 13.250 1.00 25.00 H new ATOM 0 HG3 ARG A 112 3.236 31.131 12.514 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.861 31.508 13.428 1.00 25.00 H new ATOM 0 HD3 ARG A 112 0.946 29.952 14.228 1.00 25.00 H new ATOM 0 HE ARG A 112 3.217 31.496 15.050 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -0.265 31.155 15.665 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -0.135 32.129 17.133 1.00 25.00 H new ATOM 0 HH21 ARG A 112 3.258 32.560 16.940 1.00 25.00 H new ATOM 0 HH22 ARG A 112 1.771 32.878 17.838 1.00 25.00 H new ATOM 1709 N ALA A 113 1.355 29.613 8.670 1.00 25.00 N ATOM 1710 CA ALA A 113 0.612 29.402 7.391 1.00 25.00 C ATOM 1711 C ALA A 113 1.658 29.230 6.296 1.00 25.00 C ATOM 1712 O ALA A 113 1.454 29.636 5.178 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.288 30.589 7.056 1.00 25.00 C ATOM 0 H ALA A 113 1.507 30.599 8.882 1.00 25.00 H new ATOM 0 HA ALA A 113 -0.033 28.528 7.480 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -0.811 30.396 6.119 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.016 30.731 7.855 1.00 25.00 H new ATOM 0 HB3 ALA A 113 0.319 31.489 6.954 1.00 25.00 H new ATOM 1719 N ASP A 114 2.756 28.541 6.651 1.00 25.00 N ATOM 1720 CA ASP A 114 3.914 28.364 5.758 1.00 25.00 C ATOM 1721 C ASP A 114 3.595 27.450 4.563 1.00 25.00 C ATOM 1722 O ASP A 114 4.145 27.499 3.452 1.00 25.00 O ATOM 1723 CB ASP A 114 5.068 27.868 6.571 1.00 25.00 C ATOM 1724 CG ASP A 114 6.234 27.398 5.749 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.248 26.212 5.427 1.00 25.00 O ATOM 1726 OD2 ASP A 114 7.059 28.262 5.259 1.00 25.00 O1- ATOM 0 H ASP A 114 2.866 28.093 7.561 1.00 25.00 H new ATOM 0 HA ASP A 114 4.179 29.324 5.314 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.402 28.666 7.235 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.728 27.048 7.204 1.00 25.00 H new ATOM 1731 N PHE A 115 2.559 26.667 4.750 1.00 25.00 N ATOM 1732 CA PHE A 115 1.856 25.945 3.747 1.00 25.00 C ATOM 1733 C PHE A 115 0.306 26.118 4.078 1.00 25.00 C ATOM 1734 O PHE A 115 -0.031 26.396 5.240 1.00 25.00 O ATOM 1735 CB PHE A 115 2.239 24.458 3.686 1.00 25.00 C ATOM 1736 CG PHE A 115 1.948 23.717 4.939 1.00 25.00 C ATOM 1737 CD1 PHE A 115 2.762 23.752 6.011 1.00 50.00 C ATOM 1738 CD2 PHE A 115 0.788 22.967 4.930 1.00 50.00 C ATOM 1739 CE1 PHE A 115 2.441 23.019 7.132 1.00 25.00 C ATOM 1740 CE2 PHE A 115 0.461 22.129 6.011 1.00 25.00 C ATOM 1741 CZ PHE A 115 1.295 22.134 7.106 1.00 25.00 C ATOM 0 H PHE A 115 2.167 26.515 5.679 1.00 25.00 H new ATOM 0 HA PHE A 115 2.113 26.340 2.764 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.703 23.987 2.862 1.00 25.00 H new ATOM 0 HB3 PHE A 115 3.303 24.374 3.463 1.00 25.00 H new ATOM 0 HD1 PHE A 115 3.661 24.351 5.992 1.00 50.00 H new ATOM 0 HD2 PHE A 115 0.123 23.025 4.081 1.00 50.00 H new ATOM 0 HE1 PHE A 115 3.041 23.104 8.026 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -0.417 21.501 5.983 1.00 25.00 H new ATOM 0 HZ PHE A 115 1.096 21.481 7.942 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.521 25.945 3.070 1.00 25.00 N ATOM 1752 CA GLU A 116 -1.986 26.063 3.230 1.00 25.00 C ATOM 1753 C GLU A 116 -2.665 24.982 2.375 1.00 25.00 C ATOM 1754 O GLU A 116 -2.208 24.667 1.271 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.394 27.425 2.723 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.864 28.644 3.438 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.585 29.933 3.027 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -2.828 30.104 1.829 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -2.914 30.837 3.853 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.220 25.721 2.122 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.277 25.939 4.273 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -2.091 27.495 1.678 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.483 27.475 2.744 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.967 28.502 4.514 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -0.799 28.747 3.231 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.772 24.431 2.871 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.625 23.492 2.169 1.00 25.00 C ATOM 1768 C LEU A 117 -5.216 24.131 0.873 1.00 25.00 C ATOM 1769 O LEU A 117 -5.715 25.282 0.838 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.763 23.153 3.119 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.767 21.991 2.879 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.069 20.625 3.080 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.033 22.192 3.827 1.00 50.00 C ATOM 0 H LEU A 117 -4.107 24.640 3.812 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.056 22.610 1.874 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.306 22.967 4.091 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.361 24.059 3.216 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.122 22.002 1.849 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.785 19.822 2.908 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.243 20.531 2.375 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.686 20.558 4.098 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.742 21.380 3.664 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.712 22.190 4.869 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.512 23.144 3.597 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.172 23.313 -0.202 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.650 23.727 -1.504 1.00 25.00 C ATOM 1787 C ILE A 118 -6.962 22.942 -1.677 1.00 25.00 C ATOM 1788 O ILE A 118 -7.838 23.418 -2.405 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.476 23.594 -2.583 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.967 24.340 -3.860 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -4.048 22.246 -2.973 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.883 25.157 -4.545 1.00 25.00 C ATOM 0 H ILE A 118 -4.805 22.362 -0.175 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.903 24.779 -1.639 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.591 24.011 -2.103 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.361 23.610 -4.567 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.791 25.000 -3.590 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.247 22.317 -3.709 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.687 21.711 -2.095 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.891 21.707 -3.405 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.299 25.647 -5.425 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.504 25.911 -3.855 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.068 24.499 -4.847 1.00 25.00 H new ATOM 1804 N GLY A 119 -7.060 21.807 -1.021 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.273 21.040 -0.992 1.00 25.00 C ATOM 1806 C GLY A 119 -8.122 19.683 -0.304 1.00 25.00 C ATOM 1807 O GLY A 119 -7.011 19.213 0.070 1.00 25.00 O ATOM 0 H GLY A 119 -6.293 21.393 -0.492 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -9.044 21.614 -0.479 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.619 20.884 -2.014 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.255 18.988 -0.088 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.158 17.747 0.645 1.00 25.00 C ATOM 1813 C ALA A 120 -10.319 16.892 0.158 1.00 25.00 C ATOM 1814 O ALA A 120 -11.353 17.385 -0.209 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.256 17.985 2.091 1.00 25.00 C ATOM 0 H ALA A 120 -10.189 19.257 -0.396 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.199 17.256 0.477 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.180 17.036 2.622 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.447 18.643 2.407 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.214 18.453 2.319 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.084 15.574 0.133 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.027 14.577 -0.432 1.00 25.00 C ATOM 1823 C VAL A 121 -11.310 13.603 0.689 1.00 25.00 C ATOM 1824 O VAL A 121 -10.399 12.906 1.149 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.391 13.947 -1.692 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.324 12.965 -2.336 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -9.943 15.027 -2.669 1.00 50.00 C ATOM 0 H VAL A 121 -9.230 15.158 0.505 1.00 25.00 H new ATOM 0 HA VAL A 121 -11.975 14.996 -0.770 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.504 13.393 -1.386 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -10.850 12.538 -3.220 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -11.558 12.169 -1.630 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.243 13.474 -2.628 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.498 14.561 -3.548 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -10.803 15.624 -2.971 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.206 15.670 -2.188 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.564 13.433 1.154 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.785 12.375 2.160 1.00 25.00 C ATOM 1839 C PRO A 122 -12.908 11.078 1.273 1.00 25.00 C ATOM 1840 O PRO A 122 -13.102 11.109 0.052 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.078 12.840 2.845 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.857 13.471 1.947 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.824 14.135 0.935 1.00 25.00 C ATOM 0 HA PRO A 122 -12.039 12.185 2.932 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.608 11.985 3.265 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.844 13.509 3.673 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.522 12.774 1.437 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.487 14.222 2.424 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.160 14.028 -0.096 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.718 15.203 1.126 1.00 25.00 H new ATOM 1851 N HIS A 123 -12.854 9.927 1.870 1.00 25.00 N ATOM 1852 CA HIS A 123 -12.984 8.621 1.173 1.00 25.00 C ATOM 1853 C HIS A 123 -13.875 7.549 1.830 1.00 25.00 C ATOM 1854 O HIS A 123 -13.404 6.443 2.212 1.00 25.00 O ATOM 1855 CB HIS A 123 -11.561 8.060 1.008 1.00 25.00 C ATOM 1856 CG HIS A 123 -11.369 7.090 -0.134 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -11.062 7.254 -1.439 1.00 25.00 N flip ATOM 1858 CD2 HIS A 123 -11.397 5.750 0.033 1.00 25.00 C flip ATOM 1859 CE1 HIS A 123 -11.007 6.024 -2.042 1.00 25.00 C flip ATOM 1860 NE2 HIS A 123 -11.221 5.131 -1.119 1.00 25.00 N flip ATOM 0 H HIS A 123 -12.716 9.834 2.876 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.500 8.836 0.237 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -10.874 8.895 0.871 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.276 7.563 1.935 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -10.898 8.148 -1.901 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.544 5.253 0.980 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -10.821 5.832 -3.088 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.144 7.848 1.974 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.197 6.872 2.286 1.00 25.00 C ATOM 1870 C ASP A 124 -17.537 6.948 1.523 1.00 25.00 C ATOM 1871 O ASP A 124 -18.226 5.951 1.336 1.00 25.00 O ATOM 1872 CB ASP A 124 -16.483 6.880 3.754 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.184 8.121 4.234 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -16.520 9.163 4.443 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.418 8.080 4.364 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.497 8.800 1.877 1.00 25.00 H new ATOM 0 HA ASP A 124 -15.754 5.942 1.930 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -17.095 6.012 3.999 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -15.544 6.772 4.297 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.923 8.124 1.019 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.180 8.361 0.339 1.00 25.00 C ATOM 1882 C GLY A 125 -19.215 9.634 -0.508 1.00 25.00 C ATOM 1883 O GLY A 125 -20.289 10.181 -0.822 1.00 25.00 O ATOM 0 H GLY A 125 -17.342 8.960 1.080 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -19.398 7.507 -0.303 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.976 8.412 1.082 1.00 25.00 H new ATOM 1887 N SER A 126 -18.035 10.267 -0.770 1.00 25.00 N ATOM 1888 CA SER A 126 -17.886 11.506 -1.583 1.00 25.00 C ATOM 1889 C SER A 126 -18.210 11.457 -3.058 1.00 25.00 C ATOM 1890 O SER A 126 -18.444 10.396 -3.589 1.00 25.00 O ATOM 1891 CB SER A 126 -16.408 11.801 -1.357 1.00 25.00 C ATOM 1892 OG SER A 126 -15.722 10.739 -0.687 1.00 25.00 O ATOM 0 H SER A 126 -17.144 9.921 -0.413 1.00 25.00 H new ATOM 0 HA SER A 126 -18.615 12.253 -1.269 1.00 25.00 H new ATOM 0 HB2 SER A 126 -15.929 11.986 -2.318 1.00 25.00 H new ATOM 0 HB3 SER A 126 -16.311 12.715 -0.771 1.00 25.00 H new ATOM 0 HG SER A 126 -14.789 10.998 -0.533 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.273 12.633 -3.766 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.457 12.623 -5.218 1.00 25.00 C ATOM 1900 C PRO A 127 -17.227 12.093 -5.996 1.00 25.00 C ATOM 1901 O PRO A 127 -16.266 11.533 -5.428 1.00 25.00 O ATOM 1902 CB PRO A 127 -18.804 14.098 -5.476 1.00 25.00 C ATOM 1903 CG PRO A 127 -17.968 14.818 -4.580 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.139 14.003 -3.306 1.00 25.00 C ATOM 0 HA PRO A 127 -19.223 11.934 -5.573 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.610 14.377 -6.512 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -19.858 14.298 -5.284 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -16.931 14.846 -4.916 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -18.291 15.852 -4.455 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.281 14.117 -2.644 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.018 14.321 -2.746 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.219 12.323 -7.307 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.081 12.101 -8.157 1.00 25.00 C ATOM 1914 C ALA A 128 -14.722 12.744 -7.786 1.00 25.00 C ATOM 1915 O ALA A 128 -13.675 12.525 -8.389 1.00 25.00 O ATOM 1916 CB ALA A 128 -16.383 12.527 -9.602 1.00 25.00 C ATOM 0 H ALA A 128 -18.033 12.679 -7.809 1.00 25.00 H new ATOM 0 HA ALA A 128 -15.941 11.029 -8.018 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -15.506 12.349 -10.225 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -17.223 11.947 -9.984 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -16.634 13.587 -9.624 1.00 25.00 H new ATOM 1922 N SER A 129 -14.744 13.480 -6.725 1.00 25.00 N ATOM 1923 CA SER A 129 -13.508 13.963 -6.081 1.00 25.00 C ATOM 1924 C SER A 129 -12.596 12.835 -5.594 1.00 25.00 C ATOM 1925 O SER A 129 -11.378 12.975 -5.549 1.00 25.00 O ATOM 1926 CB SER A 129 -13.887 14.795 -4.911 1.00 25.00 C ATOM 1927 OG SER A 129 -14.666 14.034 -4.009 1.00 25.00 O ATOM 0 H SER A 129 -15.602 13.778 -6.260 1.00 25.00 H new ATOM 0 HA SER A 129 -12.952 14.527 -6.830 1.00 25.00 H new ATOM 0 HB2 SER A 129 -12.991 15.163 -4.410 1.00 25.00 H new ATOM 0 HB3 SER A 129 -14.449 15.669 -5.242 1.00 25.00 H new ATOM 0 HG SER A 129 -14.911 14.589 -3.239 1.00 25.00 H new ATOM 1933 N ARG A 130 -13.193 11.631 -5.393 1.00 25.00 N ATOM 1934 CA ARG A 130 -12.479 10.359 -5.133 1.00 25.00 C ATOM 1935 C ARG A 130 -11.710 9.715 -6.318 1.00 25.00 C ATOM 1936 O ARG A 130 -11.046 8.704 -6.206 1.00 25.00 O ATOM 1937 CB ARG A 130 -13.460 9.259 -4.603 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.095 9.571 -3.238 1.00 25.00 C ATOM 1939 CD ARG A 130 -15.030 8.425 -2.762 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.118 8.167 -3.614 1.00 25.00 N ATOM 1941 CZ ARG A 130 -16.953 7.145 -3.517 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -16.748 6.147 -2.678 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.984 7.059 -4.278 1.00 25.00 N ATOM 0 H ARG A 130 -14.207 11.518 -5.408 1.00 25.00 H new ATOM 0 HA ARG A 130 -11.733 10.674 -4.403 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -14.255 9.117 -5.335 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -12.921 8.314 -4.531 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -13.309 9.730 -2.499 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.662 10.499 -3.305 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -14.442 7.513 -2.658 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.412 8.672 -1.771 1.00 25.00 H new ATOM 0 HE ARG A 130 -16.278 8.827 -4.375 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -15.924 6.147 -2.077 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -17.414 5.376 -2.631 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -18.169 7.785 -4.970 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -18.618 6.265 -4.190 1.00 25.00 H new ATOM 1957 N ASN A 131 -11.842 10.312 -7.511 1.00 25.00 N ATOM 1958 CA ASN A 131 -10.994 9.880 -8.636 1.00 25.00 C ATOM 1959 C ASN A 131 -9.559 10.222 -8.306 1.00 25.00 C ATOM 1960 O ASN A 131 -9.250 11.359 -7.840 1.00 25.00 O ATOM 1961 CB ASN A 131 -11.351 10.691 -9.909 1.00 25.00 C ATOM 1962 CG ASN A 131 -12.550 10.123 -10.717 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -12.666 8.931 -10.889 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.262 11.022 -11.359 1.00 25.00 N ATOM 0 H ASN A 131 -12.498 11.064 -7.720 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.141 8.813 -8.801 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -11.577 11.717 -9.620 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -10.476 10.728 -10.558 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -13.957 10.727 -12.045 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.119 12.014 -11.171 1.00 25.00 H new ATOM 1971 N LEU A 132 -8.653 9.305 -8.505 1.00 25.00 N ATOM 1972 CA LEU A 132 -7.244 9.534 -8.135 1.00 25.00 C ATOM 1973 C LEU A 132 -6.594 10.528 -9.080 1.00 25.00 C ATOM 1974 O LEU A 132 -5.694 11.314 -8.766 1.00 25.00 O ATOM 1975 CB LEU A 132 -6.536 8.193 -8.219 1.00 25.00 C ATOM 1976 CG LEU A 132 -5.028 8.224 -7.888 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -4.809 8.705 -6.474 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -4.463 6.837 -8.029 1.00 75.00 C ATOM 0 H LEU A 132 -8.842 8.391 -8.917 1.00 25.00 H new ATOM 0 HA LEU A 132 -7.178 9.949 -7.129 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -7.027 7.498 -7.538 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -6.663 7.796 -9.226 1.00 25.00 H new ATOM 0 HG LEU A 132 -4.529 8.906 -8.576 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -3.741 8.721 -6.256 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -5.217 9.710 -6.364 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -5.311 8.032 -5.779 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -3.398 6.853 -7.797 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -4.975 6.164 -7.341 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -4.606 6.488 -9.052 1.00 75.00 H new ATOM 1990 N SER A 133 -7.078 10.505 -10.320 1.00 25.00 N ATOM 1991 CA SER A 133 -6.800 11.565 -11.251 1.00 25.00 C ATOM 1992 C SER A 133 -7.411 12.785 -10.653 1.00 25.00 C ATOM 1993 O SER A 133 -8.502 12.744 -10.104 1.00 25.00 O ATOM 1994 CB SER A 133 -7.435 11.236 -12.615 1.00 25.00 C ATOM 1995 OG SER A 133 -7.086 12.236 -13.569 1.00 25.00 O ATOM 0 H SER A 133 -7.664 9.757 -10.691 1.00 25.00 H new ATOM 0 HA SER A 133 -5.733 11.704 -11.423 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.094 10.259 -12.958 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.519 11.178 -12.516 1.00 25.00 H new ATOM 0 HG SER A 133 -7.492 12.019 -14.434 1.00 25.00 H new ATOM 2001 N HIS A 134 -6.630 13.832 -10.536 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.031 15.047 -9.838 1.00 25.00 C ATOM 2003 C HIS A 134 -6.606 16.368 -10.433 1.00 25.00 C ATOM 2004 O HIS A 134 -5.423 16.640 -10.749 1.00 25.00 O ATOM 2005 CB HIS A 134 -6.436 15.015 -8.427 1.00 25.00 C ATOM 2006 CG HIS A 134 -6.972 16.065 -7.545 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.173 17.019 -6.951 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.241 16.404 -7.175 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -6.934 17.841 -6.233 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.187 17.485 -6.334 1.00 25.00 N ATOM 0 H HIS A 134 -5.687 13.873 -10.924 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.119 15.024 -9.894 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.631 14.040 -7.980 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -5.354 15.124 -8.494 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.142 15.902 -7.493 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -6.571 18.677 -5.654 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -8.980 17.930 -5.872 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.571 17.275 -10.475 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.373 18.613 -11.010 1.00 25.00 C ATOM 2020 C HIS A 135 -7.043 19.536 -9.835 1.00 25.00 C ATOM 2021 O HIS A 135 -7.602 19.444 -8.769 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.698 19.112 -11.618 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.058 18.505 -12.897 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.757 19.138 -14.111 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.641 17.344 -13.200 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.280 18.433 -15.092 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.828 17.325 -14.577 1.00 25.00 N ATOM 0 H HIS A 135 -8.518 17.102 -10.137 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.583 18.606 -11.761 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.501 18.924 -10.905 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.636 20.192 -11.750 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -8.222 20.000 -14.217 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.916 16.564 -12.505 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.269 18.703 -16.138 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.165 20.502 -10.147 1.00 25.00 N ATOM 2036 CA ILE A 136 -6.032 21.700 -9.385 1.00 25.00 C ATOM 2037 C ILE A 136 -5.929 22.807 -10.398 1.00 25.00 C ATOM 2038 O ILE A 136 -5.049 22.705 -11.288 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.765 21.768 -8.417 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.556 20.501 -7.520 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.892 23.086 -7.628 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -3.266 20.371 -6.800 1.00 25.00 C ATOM 0 H ILE A 136 -5.534 20.449 -10.946 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.889 21.769 -8.715 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.848 21.764 -9.007 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.357 20.478 -6.781 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.679 19.620 -8.150 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -4.047 23.185 -6.947 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.899 23.926 -8.322 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.820 23.080 -7.057 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -3.264 19.448 -6.221 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -2.448 20.349 -7.520 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -3.136 21.220 -6.129 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.737 23.864 -10.401 1.00 25.00 N ATOM 2055 CA TYR A 137 -6.618 24.969 -11.339 1.00 25.00 C ATOM 2056 C TYR A 137 -5.377 25.798 -10.982 1.00 25.00 C ATOM 2057 O TYR A 137 -5.219 26.152 -9.819 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.908 25.822 -11.382 1.00 25.00 C ATOM 2059 CG TYR A 137 -7.839 26.903 -12.424 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -7.502 28.217 -12.042 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -8.034 26.637 -13.795 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -7.379 29.194 -12.971 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -7.858 27.659 -14.744 1.00 25.00 C ATOM 2064 CZ TYR A 137 -7.531 28.958 -14.327 1.00 25.00 C ATOM 2065 OH TYR A 137 -7.323 29.881 -15.318 1.00 25.00 O ATOM 0 H TYR A 137 -7.505 23.975 -9.739 1.00 25.00 H new ATOM 0 HA TYR A 137 -6.491 24.575 -12.347 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -8.762 25.176 -11.587 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -8.076 26.273 -10.404 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -7.340 28.447 -10.999 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -8.319 25.646 -14.117 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -7.153 30.197 -12.641 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -7.975 27.444 -15.796 1.00 25.00 H new ATOM 0 HH TYR A 137 -7.495 29.469 -16.190 1.00 25.00 H new ATOM 2075 N ILE A 138 -4.537 26.174 -11.938 1.00 25.00 N ATOM 2076 CA ILE A 138 -3.342 26.967 -11.643 1.00 25.00 C ATOM 2077 C ILE A 138 -3.571 28.285 -12.351 1.00 25.00 C ATOM 2078 O ILE A 138 -3.445 28.328 -13.584 1.00 25.00 O ATOM 2079 CB ILE A 138 -2.055 26.297 -12.198 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.921 24.772 -11.823 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -0.851 27.122 -11.821 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -1.836 24.395 -10.353 1.00 25.00 C ATOM 0 H ILE A 138 -4.658 25.945 -12.925 1.00 25.00 H new ATOM 0 HA ILE A 138 -3.196 27.074 -10.568 1.00 25.00 H new ATOM 0 HB ILE A 138 -2.126 26.283 -13.286 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -2.776 24.248 -12.251 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -1.030 24.385 -12.317 1.00 25.00 H new ATOM 0 HG21 ILE A 138 0.050 26.650 -12.212 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.949 28.122 -12.243 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -0.783 27.191 -10.735 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -1.747 23.313 -10.260 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.963 24.871 -9.905 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -2.736 24.731 -9.839 1.00 25.00 H new ATOM 2094 N PRO A 139 -3.795 29.405 -11.667 1.00 25.00 N ATOM 2095 CA PRO A 139 -3.822 30.641 -12.569 1.00 25.00 C ATOM 2096 C PRO A 139 -2.494 30.960 -13.217 1.00 25.00 C ATOM 2097 O PRO A 139 -1.483 30.680 -12.681 1.00 25.00 O ATOM 2098 CB PRO A 139 -4.371 31.729 -11.646 1.00 25.00 C ATOM 2099 CG PRO A 139 -3.801 31.329 -10.271 1.00 25.00 C ATOM 2100 CD PRO A 139 -3.985 29.745 -10.236 1.00 25.00 C ATOM 0 HA PRO A 139 -4.444 30.508 -13.454 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -4.038 32.722 -11.949 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -5.461 31.745 -11.643 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -2.753 31.613 -10.173 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -4.340 31.813 -9.457 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -3.249 29.259 -9.596 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -4.969 29.452 -9.870 1.00 25.00 H new ATOM 2108 N GLU A 140 -2.508 31.626 -14.344 1.00 25.00 N ATOM 2109 CA GLU A 140 -1.177 31.945 -14.922 1.00 25.00 C ATOM 2110 C GLU A 140 -0.656 33.321 -14.452 1.00 25.00 C ATOM 2111 O GLU A 140 -0.474 34.215 -15.232 1.00 25.00 O ATOM 2112 CB GLU A 140 -1.193 31.835 -16.444 1.00 25.00 C ATOM 2113 CG GLU A 140 0.131 31.503 -17.008 1.00 25.00 C ATOM 2114 CD GLU A 140 0.102 31.432 -18.506 1.00 25.00 C ATOM 2115 OE1 GLU A 140 0.529 32.410 -19.154 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -0.332 30.438 -19.112 1.00 25.00 O1- ATOM 0 H GLU A 140 -3.329 31.944 -14.859 1.00 25.00 H new ATOM 0 HA GLU A 140 -0.475 31.200 -14.547 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -1.911 31.071 -16.741 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -1.537 32.778 -16.868 1.00 25.00 H new ATOM 0 HG2 GLU A 140 0.857 32.253 -16.695 1.00 25.00 H new ATOM 0 HG3 GLU A 140 0.467 30.547 -16.606 1.00 25.00 H new ATOM 2123 N ASP A 141 -0.617 33.526 -13.137 1.00 25.00 N ATOM 2124 CA ASP A 141 -0.304 34.806 -12.548 1.00 25.00 C ATOM 2125 C ASP A 141 1.196 35.130 -12.486 1.00 25.00 C ATOM 2126 O ASP A 141 1.549 36.335 -12.371 1.00 25.00 O ATOM 2127 CB ASP A 141 -0.945 35.007 -11.158 1.00 25.00 C ATOM 2128 CG ASP A 141 -0.260 34.244 -10.048 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -0.519 33.027 -9.942 1.00 50.00 O ATOM 2130 OD2 ASP A 141 0.406 34.826 -9.210 1.00 50.00 O1- ATOM 0 H ASP A 141 -0.805 32.794 -12.452 1.00 25.00 H new ATOM 0 HA ASP A 141 -0.753 35.517 -13.242 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -0.934 36.069 -10.915 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -1.990 34.701 -11.204 1.00 25.00 H new ATOM 2135 N ARG A 142 2.065 34.141 -12.458 1.00 25.00 N ATOM 2136 CA ARG A 142 3.509 34.331 -12.276 1.00 25.00 C ATOM 2137 C ARG A 142 4.239 33.187 -12.864 1.00 25.00 C ATOM 2138 O ARG A 142 3.639 32.157 -13.101 1.00 25.00 O ATOM 2139 CB ARG A 142 3.860 34.400 -10.828 1.00 25.00 C ATOM 2140 CG ARG A 142 3.527 33.157 -9.992 1.00 25.00 C ATOM 2141 CD ARG A 142 3.855 33.580 -8.557 1.00 25.00 C ATOM 2142 NE ARG A 142 3.712 32.572 -7.506 1.00 25.00 N ATOM 2143 CZ ARG A 142 2.598 32.305 -6.846 1.00 25.00 C ATOM 2144 NH1 ARG A 142 1.424 32.845 -7.033 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 2.609 31.386 -5.905 1.00 25.00 N ATOM 0 H ARG A 142 1.795 33.163 -12.562 1.00 25.00 H new ATOM 0 HA ARG A 142 3.787 35.264 -12.766 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.929 34.594 -10.743 1.00 25.00 H new ATOM 0 HB3 ARG A 142 3.345 35.255 -10.391 1.00 25.00 H new ATOM 0 HG2 ARG A 142 2.479 32.875 -10.096 1.00 25.00 H new ATOM 0 HG3 ARG A 142 4.121 32.297 -10.301 1.00 25.00 H new ATOM 0 HD2 ARG A 142 4.883 33.941 -8.539 1.00 25.00 H new ATOM 0 HD3 ARG A 142 3.216 34.425 -8.301 1.00 25.00 H new ATOM 0 HE ARG A 142 4.541 32.030 -7.262 1.00 25.00 H new ATOM 0 HH11 ARG A 142 1.298 33.555 -7.754 1.00 25.00 H new ATOM 0 HH12 ARG A 142 0.632 32.556 -6.458 1.00 25.00 H new ATOM 0 HH21 ARG A 142 3.472 30.886 -5.690 1.00 25.00 H new ATOM 0 HH22 ARG A 142 1.755 31.173 -5.390 1.00 25.00 H new ATOM 2159 N LEU A 143 5.560 33.265 -12.907 1.00 25.00 N ATOM 2160 CA LEU A 143 6.474 32.153 -13.191 1.00 25.00 C ATOM 2161 C LEU A 143 7.198 31.892 -11.843 1.00 25.00 C ATOM 2162 O LEU A 143 7.440 32.829 -11.066 1.00 25.00 O ATOM 2163 CB LEU A 143 7.389 32.409 -14.352 1.00 25.00 C ATOM 2164 CG LEU A 143 8.475 33.501 -14.279 1.00 25.00 C ATOM 2165 CD1 LEU A 143 9.268 33.285 -15.577 1.00 50.00 C ATOM 2166 CD2 LEU A 143 7.998 34.984 -14.117 1.00 50.00 C ATOM 0 H LEU A 143 6.053 34.142 -12.738 1.00 25.00 H new ATOM 0 HA LEU A 143 5.943 31.263 -13.528 1.00 25.00 H new ATOM 0 HB2 LEU A 143 7.895 31.469 -14.573 1.00 25.00 H new ATOM 0 HB3 LEU A 143 6.759 32.642 -15.210 1.00 25.00 H new ATOM 0 HG LEU A 143 9.049 33.387 -13.360 1.00 25.00 H new ATOM 0 HD11 LEU A 143 10.076 34.014 -15.635 1.00 50.00 H new ATOM 0 HD12 LEU A 143 9.686 32.278 -15.585 1.00 50.00 H new ATOM 0 HD13 LEU A 143 8.605 33.410 -16.433 1.00 50.00 H new ATOM 0 HD21 LEU A 143 8.865 35.643 -14.080 1.00 50.00 H new ATOM 0 HD22 LEU A 143 7.370 35.259 -14.964 1.00 50.00 H new ATOM 0 HD23 LEU A 143 7.427 35.084 -13.194 1.00 50.00 H new ATOM 2178 N GLY A 144 7.433 30.631 -11.459 1.00 25.00 N ATOM 2179 CA GLY A 144 8.079 30.353 -10.184 1.00 25.00 C ATOM 2180 C GLY A 144 7.854 28.970 -9.689 1.00 25.00 C ATOM 2181 O GLY A 144 6.885 28.256 -10.165 1.00 25.00 O ATOM 0 H GLY A 144 7.188 29.805 -12.006 1.00 25.00 H new ATOM 0 HA2 GLY A 144 9.151 30.523 -10.285 1.00 25.00 H new ATOM 0 HA3 GLY A 144 7.713 31.060 -9.440 1.00 25.00 H new ATOM 2185 N TYR A 145 8.626 28.615 -8.675 1.00 25.00 N ATOM 2186 CA TYR A 145 8.663 27.278 -7.985 1.00 25.00 C ATOM 2187 C TYR A 145 7.923 27.319 -6.652 1.00 25.00 C ATOM 2188 O TYR A 145 8.094 28.230 -5.809 1.00 25.00 O ATOM 2189 CB TYR A 145 10.124 27.010 -7.652 1.00 25.00 C ATOM 2190 CG TYR A 145 10.419 26.240 -6.409 1.00 25.00 C ATOM 2191 CD1 TYR A 145 10.957 26.879 -5.281 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.044 24.871 -6.301 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.176 26.166 -4.084 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.338 24.168 -5.073 1.00 25.00 C ATOM 2195 CZ TYR A 145 10.919 24.803 -4.024 1.00 25.00 C ATOM 2196 OH TYR A 145 11.169 23.983 -2.903 1.00 25.00 O ATOM 0 H TYR A 145 9.293 29.270 -8.266 1.00 25.00 H new ATOM 0 HA TYR A 145 8.206 26.527 -8.629 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.567 26.475 -8.492 1.00 25.00 H new ATOM 0 HB3 TYR A 145 10.634 27.971 -7.581 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.206 27.929 -5.330 1.00 50.00 H new ATOM 0 HD2 TYR A 145 9.550 24.368 -7.119 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.545 26.683 -3.210 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.091 23.120 -4.989 1.00 25.00 H new ATOM 0 HH TYR A 145 10.903 23.062 -3.106 1.00 25.00 H new ATOM 2206 N HIS A 146 7.177 26.249 -6.349 1.00 25.00 N ATOM 2207 CA HIS A 146 6.622 25.977 -5.034 1.00 25.00 C ATOM 2208 C HIS A 146 6.428 24.515 -5.047 1.00 25.00 C ATOM 2209 O HIS A 146 6.421 23.936 -6.172 1.00 25.00 O ATOM 2210 CB HIS A 146 5.232 26.678 -4.788 1.00 25.00 C ATOM 2211 CG HIS A 146 4.058 26.185 -5.580 1.00 25.00 C ATOM 2212 ND1 HIS A 146 3.326 24.993 -5.295 1.00 25.00 N ATOM 2213 CD2 HIS A 146 3.473 26.719 -6.668 1.00 25.00 C ATOM 2214 CE1 HIS A 146 2.404 24.862 -6.203 1.00 25.00 C ATOM 2215 NE2 HIS A 146 2.483 25.898 -7.067 1.00 25.00 N ATOM 0 H HIS A 146 6.941 25.534 -7.037 1.00 25.00 H new ATOM 0 HA HIS A 146 7.278 26.350 -4.247 1.00 25.00 H new ATOM 0 HB2 HIS A 146 4.989 26.580 -3.730 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.351 27.742 -4.991 1.00 25.00 H new ATOM 0 HD1 HIS A 146 3.496 24.356 -4.517 1.00 25.00 H new ATOM 0 HD2 HIS A 146 3.751 27.649 -7.141 1.00 25.00 H new ATOM 0 HE1 HIS A 146 1.689 24.054 -6.258 1.00 25.00 H new ATOM 2223 N VAL A 147 6.207 23.846 -3.914 1.00 25.00 N ATOM 2224 CA VAL A 147 5.974 22.422 -3.889 1.00 25.00 C ATOM 2225 C VAL A 147 4.507 22.115 -3.735 1.00 25.00 C ATOM 2226 O VAL A 147 3.718 22.918 -3.313 1.00 25.00 O ATOM 2227 CB VAL A 147 6.845 21.707 -2.727 1.00 25.00 C ATOM 2228 CG1 VAL A 147 8.399 21.822 -2.920 1.00 50.00 C ATOM 2229 CG2 VAL A 147 6.470 22.249 -1.379 1.00 50.00 C ATOM 0 H VAL A 147 6.187 24.286 -2.994 1.00 25.00 H new ATOM 0 HA VAL A 147 6.301 22.015 -4.846 1.00 25.00 H new ATOM 0 HB VAL A 147 6.601 20.647 -2.797 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.906 21.317 -2.098 1.00 50.00 H new ATOM 0 HG12 VAL A 147 8.684 21.356 -3.863 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.687 22.873 -2.933 1.00 50.00 H new ATOM 0 HG21 VAL A 147 7.066 21.757 -0.610 1.00 50.00 H new ATOM 0 HG22 VAL A 147 6.659 23.322 -1.353 1.00 50.00 H new ATOM 0 HG23 VAL A 147 5.412 22.062 -1.193 1.00 50.00 H new ATOM 2239 N ILE A 148 4.074 20.916 -4.051 1.00 25.00 N ATOM 2240 CA ILE A 148 2.723 20.489 -3.768 1.00 25.00 C ATOM 2241 C ILE A 148 2.981 19.436 -2.646 1.00 25.00 C ATOM 2242 O ILE A 148 3.777 18.504 -2.869 1.00 25.00 O ATOM 2243 CB ILE A 148 2.119 19.852 -4.960 1.00 25.00 C ATOM 2244 CG1 ILE A 148 1.915 20.838 -6.119 1.00 25.00 C ATOM 2245 CG2 ILE A 148 0.623 19.324 -4.616 1.00 25.00 C ATOM 2246 CD1 ILE A 148 1.623 20.199 -7.541 1.00 25.00 C ATOM 0 H ILE A 148 4.648 20.210 -4.511 1.00 25.00 H new ATOM 0 HA ILE A 148 2.038 21.290 -3.489 1.00 25.00 H new ATOM 0 HB ILE A 148 2.808 19.055 -5.240 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.087 21.499 -5.864 1.00 25.00 H new ATOM 0 HG13 ILE A 148 2.806 21.460 -6.200 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.189 18.858 -5.501 1.00 25.00 H new ATOM 0 HG22 ILE A 148 0.672 18.594 -3.808 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.002 20.165 -4.308 1.00 25.00 H new ATOM 0 HD11 ILE A 148 1.497 20.993 -8.278 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.459 19.563 -7.832 1.00 25.00 H new ATOM 0 HD13 ILE A 148 0.712 19.602 -7.492 1.00 25.00 H new ATOM 2258 N LEU A 149 2.352 19.518 -1.496 1.00 25.00 N ATOM 2259 CA LEU A 149 2.414 18.491 -0.406 1.00 25.00 C ATOM 2260 C LEU A 149 1.125 17.700 -0.421 1.00 25.00 C ATOM 2261 O LEU A 149 0.135 18.270 -0.744 1.00 25.00 O ATOM 2262 CB LEU A 149 2.416 19.229 0.902 1.00 25.00 C ATOM 2263 CG LEU A 149 3.459 20.305 1.136 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.095 21.051 2.428 1.00 50.00 C ATOM 2265 CD2 LEU A 149 4.867 19.746 1.219 1.00 50.00 C ATOM 0 H LEU A 149 1.758 20.312 -1.257 1.00 25.00 H new ATOM 0 HA LEU A 149 3.287 17.852 -0.537 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.435 19.689 1.022 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.521 18.490 1.697 1.00 25.00 H new ATOM 0 HG LEU A 149 3.455 20.985 0.284 1.00 25.00 H new ATOM 0 HD11 LEU A 149 3.832 21.831 2.618 1.00 50.00 H new ATOM 0 HD12 LEU A 149 2.108 21.502 2.322 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.086 20.350 3.263 1.00 50.00 H new ATOM 0 HD21 LEU A 149 5.572 20.560 1.387 1.00 50.00 H new ATOM 0 HD22 LEU A 149 4.929 19.036 2.044 1.00 50.00 H new ATOM 0 HD23 LEU A 149 5.113 19.240 0.286 1.00 50.00 H new ATOM 2277 N ALA A 150 1.108 16.474 0.054 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.138 15.795 0.188 1.00 25.00 C ATOM 2279 C ALA A 150 -0.053 14.770 1.361 1.00 25.00 C ATOM 2280 O ALA A 150 1.036 14.481 1.822 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.618 15.119 -1.078 1.00 25.00 C ATOM 0 H ALA A 150 1.930 15.945 0.345 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.883 16.560 0.406 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.572 14.627 -0.888 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.744 15.864 -1.863 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.116 14.378 -1.396 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.195 14.383 1.918 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.322 13.443 3.039 1.00 25.00 C ATOM 2289 C VAL A 151 -2.359 12.462 2.605 1.00 25.00 C ATOM 2290 O VAL A 151 -3.408 12.837 2.101 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.747 14.129 4.371 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.861 13.141 5.557 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.870 15.297 4.791 1.00 50.00 C ATOM 0 H VAL A 151 -2.098 14.727 1.591 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.359 12.981 3.256 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.735 14.524 4.133 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.160 13.683 6.454 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.607 12.380 5.326 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.896 12.663 5.727 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.241 15.712 5.728 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.155 14.952 4.927 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.894 16.066 4.019 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.093 11.200 2.800 1.00 25.00 N ATOM 2304 CA TRP A 152 -2.919 10.112 2.404 1.00 25.00 C ATOM 2305 C TRP A 152 -3.104 9.248 3.701 1.00 25.00 C ATOM 2306 O TRP A 152 -2.199 8.532 4.169 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.306 9.187 1.290 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.234 9.045 0.114 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.167 8.112 -0.057 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.300 9.884 -1.050 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.789 8.257 -1.275 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.366 9.365 -1.886 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.653 11.048 -1.458 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.738 9.942 -3.083 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.031 11.652 -2.668 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.067 11.083 -3.484 1.00 25.00 C ATOM 0 H TRP A 152 -1.240 10.894 3.269 1.00 25.00 H new ATOM 0 HA TRP A 152 -3.838 10.515 1.977 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -1.355 9.601 0.955 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.096 8.203 1.709 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -4.404 7.344 0.664 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.477 7.608 -1.658 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.871 11.480 -0.852 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.526 9.517 -3.686 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.536 12.557 -2.989 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.325 11.552 -4.422 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.334 9.286 4.284 1.00 25.00 N ATOM 2328 CA ASP A 153 -4.699 8.593 5.516 1.00 25.00 C ATOM 2329 C ASP A 153 -5.122 7.194 5.105 1.00 25.00 C ATOM 2330 O ASP A 153 -6.273 6.857 4.786 1.00 25.00 O ATOM 2331 CB ASP A 153 -5.805 9.318 6.268 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.236 10.452 7.048 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.339 10.217 7.919 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -5.627 11.585 6.870 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.108 9.818 3.886 1.00 25.00 H new ATOM 0 HA ASP A 153 -3.857 8.560 6.207 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.551 9.688 5.565 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.314 8.625 6.938 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.144 6.294 5.195 1.00 25.00 N ATOM 2340 CA VAL A 154 -4.394 4.864 4.994 1.00 25.00 C ATOM 2341 C VAL A 154 -5.090 4.354 6.220 1.00 25.00 C ATOM 2342 O VAL A 154 -4.616 4.439 7.286 1.00 25.00 O ATOM 2343 CB VAL A 154 -3.036 4.101 4.622 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -3.196 2.626 4.386 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -2.380 4.664 3.376 1.00 50.00 C ATOM 0 H VAL A 154 -3.173 6.527 5.405 1.00 25.00 H new ATOM 0 HA VAL A 154 -5.048 4.676 4.142 1.00 25.00 H new ATOM 0 HB VAL A 154 -2.418 4.260 5.506 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -2.228 2.190 4.140 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -3.588 2.154 5.287 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -3.888 2.463 3.560 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -1.463 4.113 3.167 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -3.062 4.569 2.531 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -2.143 5.716 3.534 1.00 50.00 H new ATOM 2355 N ALA A 155 -6.254 3.851 6.010 1.00 25.00 N ATOM 2356 CA ALA A 155 -7.011 3.200 7.059 1.00 25.00 C ATOM 2357 C ALA A 155 -6.729 1.754 7.220 1.00 25.00 C ATOM 2358 O ALA A 155 -7.151 1.169 8.179 1.00 25.00 O ATOM 2359 CB ALA A 155 -8.457 3.401 6.710 1.00 25.00 C ATOM 0 H ALA A 155 -6.725 3.871 5.105 1.00 25.00 H new ATOM 0 HA ALA A 155 -6.729 3.642 8.015 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -9.083 2.930 7.468 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -8.677 4.468 6.670 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -8.663 2.951 5.739 1.00 25.00 H new ATOM 2365 N ASP A 156 -6.059 1.137 6.270 1.00 25.00 N ATOM 2366 CA ASP A 156 -5.693 -0.302 6.449 1.00 25.00 C ATOM 2367 C ASP A 156 -4.711 -0.636 7.627 1.00 25.00 C ATOM 2368 O ASP A 156 -4.616 -1.762 8.140 1.00 25.00 O ATOM 2369 CB ASP A 156 -5.028 -0.776 5.139 1.00 25.00 C ATOM 2370 CG ASP A 156 -4.975 -2.288 5.025 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -4.037 -2.779 4.381 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -5.898 -3.044 5.422 1.00 25.00 O1- ATOM 0 H ASP A 156 -5.756 1.562 5.394 1.00 25.00 H new ATOM 0 HA ASP A 156 -6.625 -0.810 6.699 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -5.578 -0.370 4.290 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -4.016 -0.376 5.084 1.00 25.00 H new ATOM 2377 N THR A 157 -3.975 0.436 7.954 1.00 25.00 N ATOM 2378 CA THR A 157 -2.817 0.402 8.740 1.00 25.00 C ATOM 2379 C THR A 157 -2.882 1.574 9.679 1.00 25.00 C ATOM 2380 O THR A 157 -3.446 2.608 9.340 1.00 25.00 O ATOM 2381 CB THR A 157 -1.520 0.360 7.892 1.00 25.00 C ATOM 2382 OG1 THR A 157 -1.375 1.523 7.064 1.00 25.00 O ATOM 2383 CG2 THR A 157 -1.378 -0.939 7.044 1.00 25.00 C ATOM 0 H THR A 157 -4.216 1.377 7.643 1.00 25.00 H new ATOM 0 HA THR A 157 -2.777 -0.523 9.316 1.00 25.00 H new ATOM 0 HB THR A 157 -0.706 0.355 8.617 1.00 25.00 H new ATOM 0 HG1 THR A 157 -1.431 2.329 7.619 1.00 25.00 H new ATOM 0 HG21 THR A 157 -0.449 -0.903 6.475 1.00 25.00 H new ATOM 0 HG22 THR A 157 -1.365 -1.806 7.705 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.221 -1.019 6.357 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.148 1.466 10.764 1.00 25.00 N ATOM 2392 CA GLU A 158 -1.869 2.670 11.564 1.00 25.00 C ATOM 2393 C GLU A 158 -0.833 3.553 10.898 1.00 25.00 C ATOM 2394 O GLU A 158 -0.759 4.761 11.092 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.309 2.217 12.971 1.00 25.00 C ATOM 2396 CG GLU A 158 -2.385 1.491 13.782 1.00 25.00 C ATOM 2397 CD GLU A 158 -3.422 2.384 14.371 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -3.156 3.501 14.921 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -4.587 1.936 14.332 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.741 0.599 11.115 1.00 25.00 H new ATOM 0 HA GLU A 158 -2.793 3.239 11.665 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -0.450 1.561 12.830 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.958 3.088 13.524 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -2.876 0.760 13.139 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -1.903 0.935 14.586 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.116 2.983 9.967 1.00 25.00 N ATOM 2407 CA ASN A 159 0.589 3.834 9.050 1.00 25.00 C ATOM 2408 C ASN A 159 -0.282 4.607 8.067 1.00 25.00 C ATOM 2409 O ASN A 159 -1.385 4.194 7.668 1.00 25.00 O ATOM 2410 CB ASN A 159 1.701 3.080 8.295 1.00 25.00 C ATOM 2411 CG ASN A 159 2.850 2.700 9.203 1.00 25.00 C ATOM 2412 OD1 ASN A 159 3.042 1.489 9.386 1.00 25.00 O ATOM 2413 ND2 ASN A 159 3.590 3.647 9.711 1.00 25.00 N ATOM 0 H ASN A 159 -0.007 1.979 9.826 1.00 25.00 H new ATOM 0 HA ASN A 159 1.035 4.587 9.700 1.00 25.00 H new ATOM 0 HB2 ASN A 159 1.285 2.180 7.842 1.00 25.00 H new ATOM 0 HB3 ASN A 159 2.073 3.703 7.482 1.00 25.00 H new ATOM 0 HD21 ASN A 159 4.387 3.410 10.302 1.00 25.00 H new ATOM 0 HD22 ASN A 159 3.372 4.624 9.517 1.00 25.00 H new ATOM 2420 N ALA A 160 0.245 5.718 7.606 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.415 6.633 6.676 1.00 25.00 C ATOM 2422 C ALA A 160 0.788 7.036 5.770 1.00 25.00 C ATOM 2423 O ALA A 160 1.932 6.744 6.186 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.069 7.884 7.414 1.00 25.00 C ATOM 0 H ALA A 160 1.179 6.029 7.872 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.258 6.199 6.138 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.546 8.532 6.678 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -1.815 7.536 8.129 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.294 8.442 7.941 1.00 25.00 H new ATOM 2430 N PHE A 161 0.510 7.867 4.768 1.00 25.00 N ATOM 2431 CA PHE A 161 1.560 8.477 3.944 1.00 25.00 C ATOM 2432 C PHE A 161 1.476 9.993 3.934 1.00 25.00 C ATOM 2433 O PHE A 161 0.415 10.592 4.106 1.00 25.00 O ATOM 2434 CB PHE A 161 1.415 8.004 2.474 1.00 25.00 C ATOM 2435 CG PHE A 161 1.461 6.500 2.239 1.00 25.00 C ATOM 2436 CD1 PHE A 161 0.525 6.013 1.350 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.352 5.627 2.911 1.00 50.00 C ATOM 2438 CE1 PHE A 161 0.455 4.669 1.097 1.00 25.00 C ATOM 2439 CE2 PHE A 161 2.347 4.261 2.681 1.00 25.00 C ATOM 2440 CZ PHE A 161 1.388 3.792 1.696 1.00 25.00 C ATOM 0 H PHE A 161 -0.437 8.137 4.503 1.00 25.00 H new ATOM 0 HA PHE A 161 2.512 8.171 4.377 1.00 25.00 H new ATOM 0 HB2 PHE A 161 0.469 8.382 2.085 1.00 25.00 H new ATOM 0 HB3 PHE A 161 2.208 8.466 1.887 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -0.153 6.692 0.854 1.00 50.00 H new ATOM 0 HD2 PHE A 161 3.054 6.038 3.622 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -0.311 4.280 0.442 1.00 25.00 H new ATOM 0 HE2 PHE A 161 3.013 3.588 3.201 1.00 25.00 H new ATOM 0 HZ PHE A 161 1.388 2.749 1.415 1.00 25.00 H new ATOM 2450 N TYR A 162 2.629 10.607 3.697 1.00 25.00 N ATOM 2451 CA TYR A 162 2.687 11.960 3.198 1.00 25.00 C ATOM 2452 C TYR A 162 3.492 11.897 1.908 1.00 25.00 C ATOM 2453 O TYR A 162 4.185 10.921 1.711 1.00 25.00 O ATOM 2454 CB TYR A 162 3.435 12.821 4.205 1.00 25.00 C ATOM 2455 CG TYR A 162 2.635 13.157 5.499 1.00 25.00 C ATOM 2456 CD1 TYR A 162 2.178 12.190 6.440 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.459 14.551 5.792 1.00 50.00 C ATOM 2458 CE1 TYR A 162 1.419 12.650 7.604 1.00 25.00 C ATOM 2459 CE2 TYR A 162 1.803 14.945 6.974 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.193 13.986 7.837 1.00 25.00 C ATOM 2461 OH TYR A 162 0.470 14.380 8.929 1.00 25.00 O ATOM 0 H TYR A 162 3.542 10.177 3.847 1.00 25.00 H new ATOM 0 HA TYR A 162 1.694 12.378 3.036 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.356 12.310 4.486 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.724 13.754 3.721 1.00 25.00 H new ATOM 0 HD1 TYR A 162 2.387 11.140 6.298 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.830 15.298 5.106 1.00 50.00 H new ATOM 0 HE1 TYR A 162 1.026 11.921 8.298 1.00 25.00 H new ATOM 0 HE2 TYR A 162 1.761 15.993 7.232 1.00 25.00 H new ATOM 0 HH TYR A 162 0.406 15.358 8.944 1.00 25.00 H new ATOM 2471 N GLN A 163 3.400 12.861 1.009 1.00 25.00 N ATOM 2472 CA GLN A 163 4.170 12.807 -0.225 1.00 25.00 C ATOM 2473 C GLN A 163 4.370 14.238 -0.730 1.00 25.00 C ATOM 2474 O GLN A 163 3.628 15.155 -0.392 1.00 25.00 O ATOM 2475 CB GLN A 163 3.411 12.022 -1.274 1.00 25.00 C ATOM 2476 CG GLN A 163 2.014 12.487 -1.770 1.00 25.00 C ATOM 2477 CD GLN A 163 0.956 11.668 -1.035 1.00 25.00 C ATOM 2478 OE1 GLN A 163 0.556 11.952 0.065 1.00 25.00 O ATOM 2479 NE2 GLN A 163 0.512 10.652 -1.726 1.00 25.00 N ATOM 0 H GLN A 163 2.806 13.684 1.107 1.00 25.00 H new ATOM 0 HA GLN A 163 5.129 12.324 -0.039 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.055 11.957 -2.151 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.292 11.009 -0.890 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.875 13.551 -1.576 1.00 25.00 H new ATOM 0 HG3 GLN A 163 1.925 12.345 -2.847 1.00 25.00 H new ATOM 0 HE21 GLN A 163 0.890 10.462 -2.654 1.00 25.00 H new ATOM 0 HE22 GLN A 163 -0.213 10.049 -1.338 1.00 25.00 H new ATOM 2488 N VAL A 164 5.447 14.450 -1.444 1.00 25.00 N ATOM 2489 CA VAL A 164 5.753 15.792 -1.956 1.00 25.00 C ATOM 2490 C VAL A 164 6.170 15.778 -3.434 1.00 25.00 C ATOM 2491 O VAL A 164 6.970 14.970 -3.894 1.00 25.00 O ATOM 2492 CB VAL A 164 6.678 16.588 -0.974 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.768 15.679 -0.366 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.316 17.847 -1.633 1.00 75.00 C ATOM 0 H VAL A 164 6.128 13.731 -1.690 1.00 25.00 H new ATOM 0 HA VAL A 164 4.833 16.376 -1.975 1.00 25.00 H new ATOM 0 HB VAL A 164 6.034 16.942 -0.169 1.00 25.00 H new ATOM 0 HG11 VAL A 164 8.392 16.262 0.311 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.297 14.865 0.186 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.385 15.267 -1.164 1.00 75.00 H new ATOM 0 HG21 VAL A 164 7.946 18.359 -0.906 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.921 17.543 -2.487 1.00 75.00 H new ATOM 0 HG23 VAL A 164 6.528 18.521 -1.968 1.00 75.00 H new ATOM 2504 N ILE A 165 5.639 16.718 -4.173 1.00 25.00 N ATOM 2505 CA ILE A 165 5.913 16.886 -5.638 1.00 25.00 C ATOM 2506 C ILE A 165 6.466 18.280 -5.836 1.00 25.00 C ATOM 2507 O ILE A 165 5.803 19.207 -5.449 1.00 25.00 O ATOM 2508 CB ILE A 165 4.685 16.470 -6.457 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.290 14.967 -6.210 1.00 25.00 C ATOM 2510 CG2 ILE A 165 4.960 16.688 -7.946 1.00 25.00 C ATOM 2511 CD1 ILE A 165 2.869 14.510 -6.672 1.00 25.00 C ATOM 0 H ILE A 165 4.992 17.413 -3.801 1.00 25.00 H new ATOM 0 HA ILE A 165 6.681 16.217 -6.026 1.00 25.00 H new ATOM 0 HB ILE A 165 3.849 17.090 -6.134 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.025 14.339 -6.713 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.377 14.767 -5.142 1.00 25.00 H new ATOM 0 HG21 ILE A 165 4.085 16.391 -8.525 1.00 25.00 H new ATOM 0 HG22 ILE A 165 5.174 17.742 -8.126 1.00 25.00 H new ATOM 0 HG23 ILE A 165 5.817 16.087 -8.250 1.00 25.00 H new ATOM 0 HD11 ILE A 165 2.733 13.454 -6.440 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.111 15.096 -6.152 1.00 25.00 H new ATOM 0 HD13 ILE A 165 2.770 14.661 -7.747 1.00 25.00 H new ATOM 2523 N ASP A 166 7.626 18.469 -6.454 1.00 25.00 N ATOM 2524 CA ASP A 166 8.223 19.754 -6.755 1.00 25.00 C ATOM 2525 C ASP A 166 7.645 20.151 -8.162 1.00 25.00 C ATOM 2526 O ASP A 166 7.566 19.365 -9.081 1.00 25.00 O ATOM 2527 CB ASP A 166 9.744 19.484 -6.748 1.00 25.00 C ATOM 2528 CG ASP A 166 10.546 20.774 -6.647 1.00 25.00 C ATOM 2529 OD1 ASP A 166 9.944 21.812 -7.003 1.00 25.00 O ATOM 2530 OD2 ASP A 166 11.726 20.838 -6.282 1.00 25.00 O1- ATOM 0 H ASP A 166 8.200 17.688 -6.772 1.00 25.00 H new ATOM 0 HA ASP A 166 8.016 20.572 -6.065 1.00 25.00 H new ATOM 0 HB2 ASP A 166 9.994 18.834 -5.910 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.023 18.953 -7.658 1.00 25.00 H new ATOM 2535 N VAL A 167 7.258 21.403 -8.292 1.00 25.00 N ATOM 2536 CA VAL A 167 6.859 21.906 -9.601 1.00 25.00 C ATOM 2537 C VAL A 167 7.526 23.235 -9.870 1.00 25.00 C ATOM 2538 O VAL A 167 8.009 23.987 -9.000 1.00 25.00 O ATOM 2539 CB VAL A 167 5.301 21.993 -9.813 1.00 25.00 C ATOM 2540 CG1 VAL A 167 4.632 20.544 -9.863 1.00 50.00 C ATOM 2541 CG2 VAL A 167 4.625 22.889 -8.716 1.00 50.00 C ATOM 0 H VAL A 167 7.209 22.081 -7.531 1.00 25.00 H new ATOM 0 HA VAL A 167 7.201 21.171 -10.330 1.00 25.00 H new ATOM 0 HB VAL A 167 5.133 22.466 -10.781 1.00 25.00 H new ATOM 0 HG11 VAL A 167 3.557 20.645 -10.010 1.00 50.00 H new ATOM 0 HG12 VAL A 167 5.060 19.974 -10.688 1.00 50.00 H new ATOM 0 HG13 VAL A 167 4.822 20.023 -8.925 1.00 50.00 H new ATOM 0 HG21 VAL A 167 3.550 22.929 -8.890 1.00 50.00 H new ATOM 0 HG22 VAL A 167 4.817 22.465 -7.731 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.038 23.897 -8.764 1.00 50.00 H new ATOM 2551 N ASP A 168 7.557 23.548 -11.129 1.00 25.00 N ATOM 2552 CA ASP A 168 7.930 24.845 -11.646 1.00 25.00 C ATOM 2553 C ASP A 168 6.847 25.182 -12.601 1.00 25.00 C ATOM 2554 O ASP A 168 6.596 24.463 -13.623 1.00 25.00 O ATOM 2555 CB ASP A 168 9.241 24.766 -12.374 1.00 25.00 C ATOM 2556 CG ASP A 168 9.736 26.141 -12.809 1.00 25.00 C ATOM 2557 OD1 ASP A 168 10.846 26.236 -13.444 1.00 25.00 O ATOM 2558 OD2 ASP A 168 9.115 27.129 -12.486 1.00 25.00 O1- ATOM 0 H ASP A 168 7.314 22.883 -11.863 1.00 25.00 H new ATOM 0 HA ASP A 168 8.048 25.586 -10.855 1.00 25.00 H new ATOM 0 HB2 ASP A 168 9.986 24.300 -11.730 1.00 25.00 H new ATOM 0 HB3 ASP A 168 9.132 24.126 -13.250 1.00 25.00 H new ATOM 2563 N LEU A 169 6.037 26.186 -12.273 1.00 25.00 N ATOM 2564 CA LEU A 169 4.810 26.405 -12.988 1.00 25.00 C ATOM 2565 C LEU A 169 5.051 27.822 -13.548 1.00 25.00 C ATOM 2566 O LEU A 169 5.207 28.804 -12.799 1.00 25.00 O ATOM 2567 CB LEU A 169 3.586 26.290 -12.044 1.00 25.00 C ATOM 2568 CG LEU A 169 2.942 24.881 -11.885 1.00 25.00 C ATOM 2569 CD1 LEU A 169 2.073 24.859 -10.651 1.00 50.00 C ATOM 2570 CD2 LEU A 169 2.047 24.548 -13.112 1.00 50.00 C ATOM 0 H LEU A 169 6.218 26.850 -11.520 1.00 25.00 H new ATOM 0 HA LEU A 169 4.579 25.679 -13.768 1.00 25.00 H new ATOM 0 HB2 LEU A 169 3.887 26.638 -11.056 1.00 25.00 H new ATOM 0 HB3 LEU A 169 2.817 26.975 -12.402 1.00 25.00 H new ATOM 0 HG LEU A 169 3.744 24.147 -11.805 1.00 25.00 H new ATOM 0 HD11 LEU A 169 1.623 23.873 -10.541 1.00 50.00 H new ATOM 0 HD12 LEU A 169 2.681 25.081 -9.774 1.00 50.00 H new ATOM 0 HD13 LEU A 169 1.287 25.608 -10.746 1.00 50.00 H new ATOM 0 HD21 LEU A 169 1.606 23.560 -12.983 1.00 50.00 H new ATOM 0 HD22 LEU A 169 1.254 25.291 -13.196 1.00 50.00 H new ATOM 0 HD23 LEU A 169 2.653 24.559 -14.018 1.00 50.00 H new ATOM 2582 N VAL A 170 5.087 27.971 -14.841 1.00 25.00 N ATOM 2583 CA VAL A 170 5.566 29.185 -15.549 1.00 25.00 C ATOM 2584 C VAL A 170 4.517 29.973 -16.381 1.00 25.00 C ATOM 2585 O VAL A 170 3.459 29.412 -16.688 1.00 25.00 O ATOM 2586 CB VAL A 170 6.842 28.817 -16.395 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.018 28.164 -15.519 1.00 50.00 C ATOM 2588 CG2 VAL A 170 6.391 27.852 -17.514 1.00 50.00 C ATOM 0 H VAL A 170 4.778 27.239 -15.480 1.00 25.00 H new ATOM 0 HA VAL A 170 5.813 29.901 -14.765 1.00 25.00 H new ATOM 0 HB VAL A 170 7.266 29.733 -16.807 1.00 25.00 H new ATOM 0 HG11 VAL A 170 8.867 27.935 -16.163 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.329 28.867 -14.746 1.00 50.00 H new ATOM 0 HG13 VAL A 170 7.658 27.247 -15.053 1.00 50.00 H new ATOM 0 HG21 VAL A 170 7.251 27.574 -18.123 1.00 50.00 H new ATOM 0 HG22 VAL A 170 5.957 26.957 -17.069 1.00 50.00 H new ATOM 0 HG23 VAL A 170 5.647 28.344 -18.140 1.00 50.00 H new ATOM 2598 N ASN A 171 4.839 31.175 -16.872 1.00 25.00 N ATOM 2599 CA ASN A 171 4.005 31.959 -17.777 1.00 25.00 C ATOM 2600 C ASN A 171 4.185 31.364 -19.190 1.00 25.00 C ATOM 2601 O ASN A 171 5.214 30.738 -19.490 1.00 25.00 O ATOM 2602 CB ASN A 171 4.344 33.410 -17.864 1.00 25.00 C ATOM 2603 CG ASN A 171 4.064 34.166 -16.569 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.147 33.810 -15.818 1.00 25.00 O ATOM 2605 ND2 ASN A 171 4.879 35.109 -16.269 1.00 25.00 N ATOM 0 H ASN A 171 5.717 31.640 -16.640 1.00 25.00 H new ATOM 0 HA ASN A 171 2.989 31.904 -17.385 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.398 33.516 -18.120 1.00 25.00 H new ATOM 0 HB3 ASN A 171 3.772 33.863 -18.674 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.786 35.600 -15.380 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.620 35.369 -16.920 1.00 25.00 H new ATOM 2612 N LYS A 172 3.182 31.477 -20.044 1.00 25.00 N ATOM 2613 CA LYS A 172 3.257 30.994 -21.387 1.00 25.00 C ATOM 2614 C LYS A 172 4.333 31.744 -22.214 1.00 25.00 C ATOM 2615 O LYS A 172 4.312 32.986 -22.123 1.00 25.00 O ATOM 2616 CB LYS A 172 1.857 31.070 -22.060 1.00 25.00 C ATOM 2617 CG LYS A 172 1.725 30.545 -23.432 1.00 25.00 C ATOM 2618 CD LYS A 172 1.802 29.007 -23.469 1.00 25.00 C ATOM 2619 CE LYS A 172 1.690 28.383 -24.881 1.00 25.00 C ATOM 2620 NZ LYS A 172 1.885 26.874 -24.824 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 5.151 31.143 -22.902 1.00 25.00 O1- ATOM 0 H LYS A 172 2.290 31.913 -19.810 1.00 25.00 H new ATOM 0 HA LYS A 172 3.567 29.950 -21.355 1.00 25.00 H new ATOM 0 HB2 LYS A 172 1.151 30.533 -21.426 1.00 25.00 H new ATOM 0 HB3 LYS A 172 1.546 32.115 -22.070 1.00 25.00 H new ATOM 0 HG2 LYS A 172 0.775 30.871 -23.856 1.00 25.00 H new ATOM 0 HG3 LYS A 172 2.513 30.963 -24.058 1.00 25.00 H new ATOM 0 HD2 LYS A 172 2.746 28.694 -23.023 1.00 25.00 H new ATOM 0 HD3 LYS A 172 1.005 28.603 -22.845 1.00 25.00 H new ATOM 0 HE2 LYS A 172 0.714 28.612 -25.308 1.00 25.00 H new ATOM 0 HE3 LYS A 172 2.437 28.826 -25.539 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 1.806 26.477 -25.782 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 2.826 26.660 -24.437 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 1.156 26.453 -24.213 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 0.614 0.180 -1.976 1.00 0.00 CU