USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -0.0532 K(o=-0.099,f=-1.1!) USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= -0.0459 USER MOD Set 2.1: A 3 SER OG : rot -61:sc= 0.681 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -58:sc= 0.276 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-7.9!) USER MOD Single : A 35 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 113:sc= 0.013 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 125:sc= 0.579 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 25:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.94) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.32) USER MOD Single : A 73 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.2!) USER MOD Single : A 74 THR OG1 : rot 98:sc= 0.281 USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.93) USER MOD Single : A 92 SER OG : rot 170:sc= 0.249 USER MOD Single : A 94 SER OG : rot 41:sc= 0.0458 USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= 0.0494 (180deg=-0.387) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 168:sc= 1.17 USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= -0.135 (180deg=-0.689) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.107 USER MOD Single : A 107 SER OG : rot 28:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.811 9.605 -17.887 1.00 0.00 N ATOM 2 CA GLY A 1 8.715 8.653 -17.916 1.00 0.00 C ATOM 3 C GLY A 1 8.311 8.194 -16.529 1.00 0.00 C ATOM 4 O GLY A 1 8.942 7.309 -15.952 1.00 0.00 O ATOM 0 H1 GLY A 1 10.050 9.889 -18.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.528 10.444 -17.341 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.641 9.165 -17.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.856 9.107 -18.410 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.005 7.788 -18.512 1.00 0.00 H new ATOM 8 N SER A 2 7.255 8.797 -15.992 1.00 0.00 N ATOM 9 CA SER A 2 6.770 8.448 -14.662 1.00 0.00 C ATOM 10 C SER A 2 7.879 8.595 -13.624 1.00 0.00 C ATOM 11 O SER A 2 7.978 7.800 -12.689 1.00 0.00 O ATOM 12 CB SER A 2 6.232 7.016 -14.651 1.00 0.00 C ATOM 13 OG SER A 2 5.258 6.830 -15.663 1.00 0.00 O ATOM 0 H SER A 2 6.719 9.529 -16.458 1.00 0.00 H new ATOM 0 HA SER A 2 5.962 9.133 -14.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.053 6.314 -14.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.796 6.795 -13.677 1.00 0.00 H new ATOM 0 HG SER A 2 4.931 5.907 -15.636 1.00 0.00 H new ATOM 19 N SER A 3 8.710 9.618 -13.795 1.00 0.00 N ATOM 20 CA SER A 3 9.814 9.868 -12.877 1.00 0.00 C ATOM 21 C SER A 3 9.317 10.537 -11.599 1.00 0.00 C ATOM 22 O SER A 3 9.745 11.638 -11.253 1.00 0.00 O ATOM 23 CB SER A 3 10.874 10.746 -13.546 1.00 0.00 C ATOM 24 OG SER A 3 11.920 11.061 -12.643 1.00 0.00 O ATOM 0 H SER A 3 8.639 10.287 -14.561 1.00 0.00 H new ATOM 0 HA SER A 3 10.260 8.908 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.283 10.230 -14.415 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.413 11.665 -13.909 1.00 0.00 H new ATOM 0 HG SER A 3 11.557 11.563 -11.884 1.00 0.00 H new ATOM 30 N GLY A 4 8.408 9.863 -10.900 1.00 0.00 N ATOM 31 CA GLY A 4 7.866 10.407 -9.669 1.00 0.00 C ATOM 32 C GLY A 4 8.945 10.926 -8.740 1.00 0.00 C ATOM 33 O GLY A 4 8.812 12.006 -8.165 1.00 0.00 O ATOM 0 H GLY A 4 8.038 8.950 -11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.175 11.216 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.290 9.636 -9.157 1.00 0.00 H new ATOM 37 N SER A 5 10.017 10.154 -8.591 1.00 0.00 N ATOM 38 CA SER A 5 11.122 10.540 -7.721 1.00 0.00 C ATOM 39 C SER A 5 10.650 10.685 -6.277 1.00 0.00 C ATOM 40 O SER A 5 10.893 11.706 -5.633 1.00 0.00 O ATOM 41 CB SER A 5 11.743 11.853 -8.201 1.00 0.00 C ATOM 42 OG SER A 5 12.416 11.677 -9.436 1.00 0.00 O ATOM 0 H SER A 5 10.144 9.258 -9.061 1.00 0.00 H new ATOM 0 HA SER A 5 11.876 9.754 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.965 12.608 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.442 12.224 -7.452 1.00 0.00 H new ATOM 0 HG SER A 5 12.803 12.531 -9.722 1.00 0.00 H new ATOM 48 N SER A 6 9.976 9.656 -5.775 1.00 0.00 N ATOM 49 CA SER A 6 9.466 9.670 -4.408 1.00 0.00 C ATOM 50 C SER A 6 8.678 10.947 -4.135 1.00 0.00 C ATOM 51 O SER A 6 8.789 11.541 -3.063 1.00 0.00 O ATOM 52 CB SER A 6 10.619 9.544 -3.410 1.00 0.00 C ATOM 53 OG SER A 6 10.136 9.282 -2.104 1.00 0.00 O ATOM 0 H SER A 6 9.770 8.802 -6.293 1.00 0.00 H new ATOM 0 HA SER A 6 8.796 8.819 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.288 8.742 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.204 10.464 -3.407 1.00 0.00 H new ATOM 0 HG SER A 6 9.532 10.003 -1.828 1.00 0.00 H new ATOM 59 N GLY A 7 7.881 11.365 -5.114 1.00 0.00 N ATOM 60 CA GLY A 7 7.086 12.569 -4.961 1.00 0.00 C ATOM 61 C GLY A 7 6.232 12.545 -3.709 1.00 0.00 C ATOM 62 O GLY A 7 5.804 11.488 -3.244 1.00 0.00 O ATOM 0 H GLY A 7 7.772 10.891 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.747 13.435 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.443 12.690 -5.833 1.00 0.00 H new ATOM 66 N PRO A 8 5.974 13.732 -3.141 1.00 0.00 N ATOM 67 CA PRO A 8 5.164 13.869 -1.926 1.00 0.00 C ATOM 68 C PRO A 8 3.692 13.556 -2.172 1.00 0.00 C ATOM 69 O PRO A 8 2.980 13.122 -1.267 1.00 0.00 O ATOM 70 CB PRO A 8 5.341 15.341 -1.546 1.00 0.00 C ATOM 71 CG PRO A 8 5.669 16.026 -2.827 1.00 0.00 C ATOM 72 CD PRO A 8 6.451 15.032 -3.640 1.00 0.00 C ATOM 0 HA PRO A 8 5.476 13.173 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.432 15.747 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.138 15.468 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.762 16.331 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.253 16.929 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.260 15.147 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.525 15.149 -3.493 1.00 0.00 H new ATOM 80 N ASP A 9 3.243 13.778 -3.402 1.00 0.00 N ATOM 81 CA ASP A 9 1.855 13.518 -3.768 1.00 0.00 C ATOM 82 C ASP A 9 1.340 12.255 -3.084 1.00 0.00 C ATOM 83 O ASP A 9 0.227 12.230 -2.562 1.00 0.00 O ATOM 84 CB ASP A 9 1.722 13.382 -5.286 1.00 0.00 C ATOM 85 CG ASP A 9 2.332 12.095 -5.807 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.528 11.855 -5.540 1.00 0.00 O ATOM 87 OD2 ASP A 9 1.613 11.329 -6.482 1.00 0.00 O ATOM 0 H ASP A 9 3.820 14.137 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 9 1.252 14.362 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.668 13.418 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.206 14.231 -5.768 1.00 0.00 H new ATOM 92 N ALA A 10 2.159 11.208 -3.093 1.00 0.00 N ATOM 93 CA ALA A 10 1.787 9.942 -2.474 1.00 0.00 C ATOM 94 C ALA A 10 1.989 9.991 -0.963 1.00 0.00 C ATOM 95 O ALA A 10 2.681 10.859 -0.432 1.00 0.00 O ATOM 96 CB ALA A 10 2.591 8.802 -3.079 1.00 0.00 C ATOM 0 H ALA A 10 3.084 11.212 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 10 0.729 9.768 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.303 7.863 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.394 8.746 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.654 8.979 -2.915 1.00 0.00 H new ATOM 102 N PRO A 11 1.369 9.037 -0.252 1.00 0.00 N ATOM 103 CA PRO A 11 1.466 8.950 1.208 1.00 0.00 C ATOM 104 C PRO A 11 2.857 8.531 1.673 1.00 0.00 C ATOM 105 O PRO A 11 3.762 8.340 0.861 1.00 0.00 O ATOM 106 CB PRO A 11 0.436 7.876 1.569 1.00 0.00 C ATOM 107 CG PRO A 11 0.318 7.038 0.343 1.00 0.00 C ATOM 108 CD PRO A 11 0.528 7.970 -0.818 1.00 0.00 C ATOM 0 HA PRO A 11 1.284 9.913 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.764 7.284 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.522 8.321 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.061 6.241 0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.661 6.562 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.021 7.469 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.417 8.361 -1.195 1.00 0.00 H new ATOM 116 N ARG A 12 3.020 8.390 2.985 1.00 0.00 N ATOM 117 CA ARG A 12 4.301 7.994 3.557 1.00 0.00 C ATOM 118 C ARG A 12 4.102 7.271 4.886 1.00 0.00 C ATOM 119 O ARG A 12 2.987 7.190 5.400 1.00 0.00 O ATOM 120 CB ARG A 12 5.193 9.220 3.760 1.00 0.00 C ATOM 121 CG ARG A 12 5.038 10.273 2.675 1.00 0.00 C ATOM 122 CD ARG A 12 6.008 11.427 2.876 1.00 0.00 C ATOM 123 NE ARG A 12 7.295 10.975 3.398 1.00 0.00 N ATOM 124 CZ ARG A 12 7.541 10.794 4.690 1.00 0.00 C ATOM 125 NH1 ARG A 12 6.592 11.023 5.588 1.00 0.00 N ATOM 126 NH2 ARG A 12 8.738 10.381 5.088 1.00 0.00 N ATOM 0 H ARG A 12 2.281 8.544 3.671 1.00 0.00 H new ATOM 0 HA ARG A 12 4.787 7.311 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.964 9.670 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.234 8.899 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.208 9.819 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.016 10.651 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.162 11.941 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.572 12.152 3.564 1.00 0.00 H new ATOM 0 HE ARG A 12 8.046 10.788 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.670 11.339 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.784 10.883 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.470 10.202 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.926 10.242 6.081 1.00 0.00 H new ATOM 140 N ASN A 13 5.192 6.745 5.436 1.00 0.00 N ATOM 141 CA ASN A 13 5.137 6.026 6.704 1.00 0.00 C ATOM 142 C ASN A 13 4.195 4.830 6.612 1.00 0.00 C ATOM 143 O ASN A 13 3.285 4.678 7.428 1.00 0.00 O ATOM 144 CB ASN A 13 4.683 6.963 7.825 1.00 0.00 C ATOM 145 CG ASN A 13 5.846 7.662 8.502 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.689 7.022 9.131 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.896 8.983 8.376 1.00 0.00 N ATOM 0 H ASN A 13 6.123 6.803 5.024 1.00 0.00 H new ATOM 0 HA ASN A 13 6.138 5.659 6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.002 7.710 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.124 6.393 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.655 9.508 8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.175 9.472 7.845 1.00 0.00 H new ATOM 154 N LEU A 14 4.419 3.983 5.613 1.00 0.00 N ATOM 155 CA LEU A 14 3.590 2.799 5.413 1.00 0.00 C ATOM 156 C LEU A 14 3.973 1.696 6.395 1.00 0.00 C ATOM 157 O LEU A 14 5.077 1.156 6.335 1.00 0.00 O ATOM 158 CB LEU A 14 3.730 2.292 3.977 1.00 0.00 C ATOM 159 CG LEU A 14 2.890 1.066 3.615 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.429 1.451 3.445 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.422 0.412 2.348 1.00 0.00 C ATOM 0 H LEU A 14 5.168 4.094 4.929 1.00 0.00 H new ATOM 0 HA LEU A 14 2.551 3.076 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.465 3.103 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.779 2.056 3.797 1.00 0.00 H new ATOM 0 HG LEU A 14 2.962 0.346 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.847 0.566 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.053 1.874 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.338 2.189 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.813 -0.459 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.380 1.126 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.454 0.100 2.506 1.00 0.00 H new ATOM 173 N GLN A 15 3.051 1.365 7.294 1.00 0.00 N ATOM 174 CA GLN A 15 3.292 0.324 8.286 1.00 0.00 C ATOM 175 C GLN A 15 2.149 -0.685 8.305 1.00 0.00 C ATOM 176 O GLN A 15 1.023 -0.357 8.683 1.00 0.00 O ATOM 177 CB GLN A 15 3.465 0.944 9.674 1.00 0.00 C ATOM 178 CG GLN A 15 4.905 1.298 10.008 1.00 0.00 C ATOM 179 CD GLN A 15 5.167 1.329 11.500 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.163 0.293 12.165 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.398 2.522 12.036 1.00 0.00 N ATOM 0 H GLN A 15 2.132 1.802 7.356 1.00 0.00 H new ATOM 0 HA GLN A 15 4.208 -0.199 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.854 1.844 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.088 0.248 10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.571 0.573 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.144 2.272 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.392 3.355 11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.582 2.605 13.036 1.00 0.00 H new ATOM 190 N LEU A 16 2.444 -1.913 7.895 1.00 0.00 N ATOM 191 CA LEU A 16 1.440 -2.972 7.864 1.00 0.00 C ATOM 192 C LEU A 16 1.440 -3.760 9.170 1.00 0.00 C ATOM 193 O LEU A 16 2.496 -4.048 9.733 1.00 0.00 O ATOM 194 CB LEU A 16 1.699 -3.913 6.687 1.00 0.00 C ATOM 195 CG LEU A 16 2.116 -3.248 5.375 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.448 -1.890 5.229 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.630 -3.111 5.303 1.00 0.00 C ATOM 0 H LEU A 16 3.370 -2.201 7.579 1.00 0.00 H new ATOM 0 HA LEU A 16 0.461 -2.508 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.477 -4.619 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.794 -4.493 6.506 1.00 0.00 H new ATOM 0 HG LEU A 16 1.790 -3.881 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.757 -1.432 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.365 -2.015 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.743 -1.248 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.908 -2.636 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.980 -2.501 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.088 -4.099 5.360 1.00 0.00 H new ATOM 209 N SER A 17 0.248 -4.107 9.646 1.00 0.00 N ATOM 210 CA SER A 17 0.110 -4.861 10.887 1.00 0.00 C ATOM 211 C SER A 17 -0.865 -6.021 10.712 1.00 0.00 C ATOM 212 O SER A 17 -1.569 -6.109 9.705 1.00 0.00 O ATOM 213 CB SER A 17 -0.366 -3.944 12.015 1.00 0.00 C ATOM 214 OG SER A 17 0.086 -2.615 11.818 1.00 0.00 O ATOM 0 H SER A 17 -0.636 -3.878 9.191 1.00 0.00 H new ATOM 0 HA SER A 17 1.087 -5.267 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.455 -3.958 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.001 -4.318 12.971 1.00 0.00 H new ATOM 0 HG SER A 17 -0.233 -2.049 12.552 1.00 0.00 H new ATOM 220 N LEU A 18 -0.902 -6.908 11.699 1.00 0.00 N ATOM 221 CA LEU A 18 -1.791 -8.064 11.657 1.00 0.00 C ATOM 222 C LEU A 18 -2.752 -8.056 12.841 1.00 0.00 C ATOM 223 O LEU A 18 -2.344 -8.020 14.002 1.00 0.00 O ATOM 224 CB LEU A 18 -0.977 -9.359 11.655 1.00 0.00 C ATOM 225 CG LEU A 18 -0.213 -9.670 10.367 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.059 -9.331 9.150 1.00 0.00 C ATOM 227 CD2 LEU A 18 1.105 -8.910 10.331 1.00 0.00 C ATOM 0 H LEU A 18 -0.327 -6.849 12.539 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.375 -8.008 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.262 -9.316 12.477 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.652 -10.189 11.863 1.00 0.00 H new ATOM 0 HG LEU A 18 0.006 -10.738 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.499 -9.559 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.976 -9.921 9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.309 -8.270 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.635 -9.144 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.909 -7.839 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.717 -9.202 11.184 1.00 0.00 H new ATOM 239 N PRO A 19 -4.059 -8.092 12.543 1.00 0.00 N ATOM 240 CA PRO A 19 -5.105 -8.092 13.570 1.00 0.00 C ATOM 241 C PRO A 19 -5.148 -9.399 14.354 1.00 0.00 C ATOM 242 O PRO A 19 -5.233 -10.481 13.771 1.00 0.00 O ATOM 243 CB PRO A 19 -6.394 -7.909 12.764 1.00 0.00 C ATOM 244 CG PRO A 19 -6.071 -8.439 11.409 1.00 0.00 C ATOM 245 CD PRO A 19 -4.617 -8.135 11.181 1.00 0.00 C ATOM 0 HA PRO A 19 -4.941 -7.317 14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.224 -8.454 13.215 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.688 -6.860 12.719 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.259 -9.511 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.692 -7.968 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.137 -8.902 10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.482 -7.186 10.661 1.00 0.00 H new ATOM 253 N ARG A 20 -5.089 -9.293 15.677 1.00 0.00 N ATOM 254 CA ARG A 20 -5.120 -10.468 16.540 1.00 0.00 C ATOM 255 C ARG A 20 -6.544 -10.996 16.688 1.00 0.00 C ATOM 256 O ARG A 20 -6.782 -11.979 17.389 1.00 0.00 O ATOM 257 CB ARG A 20 -4.544 -10.131 17.917 1.00 0.00 C ATOM 258 CG ARG A 20 -5.333 -9.068 18.663 1.00 0.00 C ATOM 259 CD ARG A 20 -4.463 -8.334 19.672 1.00 0.00 C ATOM 260 NE ARG A 20 -5.260 -7.659 20.693 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.798 -7.350 21.900 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.551 -7.654 22.234 1.00 0.00 N ATOM 263 NH2 ARG A 20 -5.584 -6.736 22.775 1.00 0.00 N ATOM 0 H ARG A 20 -5.019 -8.406 16.175 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.509 -11.244 16.078 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.512 -11.038 18.520 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.515 -9.791 17.798 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.747 -8.354 17.951 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.175 -9.532 19.176 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.786 -9.042 20.150 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.844 -7.602 19.153 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.223 -7.411 20.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.944 -8.126 21.564 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.199 -7.416 23.161 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.544 -6.501 22.521 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.229 -6.499 23.701 1.00 0.00 H new ATOM 277 N GLU A 21 -7.487 -10.336 16.023 1.00 0.00 N ATOM 278 CA GLU A 21 -8.887 -10.739 16.082 1.00 0.00 C ATOM 279 C GLU A 21 -9.380 -11.195 14.712 1.00 0.00 C ATOM 280 O GLU A 21 -10.474 -11.744 14.585 1.00 0.00 O ATOM 281 CB GLU A 21 -9.753 -9.583 16.589 1.00 0.00 C ATOM 282 CG GLU A 21 -9.500 -9.226 18.043 1.00 0.00 C ATOM 283 CD GLU A 21 -10.444 -8.155 18.554 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.517 -7.079 17.926 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.112 -8.395 19.583 1.00 0.00 O ATOM 0 H GLU A 21 -7.307 -9.520 15.438 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.969 -11.576 16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.570 -8.704 15.971 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.804 -9.846 16.466 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.606 -10.121 18.656 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.472 -8.882 18.155 1.00 0.00 H new ATOM 292 N ALA A 22 -8.565 -10.963 13.688 1.00 0.00 N ATOM 293 CA ALA A 22 -8.916 -11.351 12.328 1.00 0.00 C ATOM 294 C ALA A 22 -7.785 -12.134 11.671 1.00 0.00 C ATOM 295 O ALA A 22 -6.621 -11.742 11.748 1.00 0.00 O ATOM 296 CB ALA A 22 -9.260 -10.121 11.501 1.00 0.00 C ATOM 0 H ALA A 22 -7.656 -10.508 13.775 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.791 -12.000 12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.520 -10.425 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.106 -9.604 11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.400 -9.452 11.469 1.00 0.00 H new ATOM 302 N GLU A 23 -8.135 -13.242 11.024 1.00 0.00 N ATOM 303 CA GLU A 23 -7.147 -14.080 10.355 1.00 0.00 C ATOM 304 C GLU A 23 -7.108 -13.785 8.858 1.00 0.00 C ATOM 305 O GLU A 23 -8.142 -13.549 8.234 1.00 0.00 O ATOM 306 CB GLU A 23 -7.460 -15.559 10.587 1.00 0.00 C ATOM 307 CG GLU A 23 -7.443 -15.963 12.052 1.00 0.00 C ATOM 308 CD GLU A 23 -8.329 -17.160 12.337 1.00 0.00 C ATOM 309 OE1 GLU A 23 -9.503 -17.145 11.913 1.00 0.00 O ATOM 310 OE2 GLU A 23 -7.847 -18.113 12.985 1.00 0.00 O ATOM 0 H GLU A 23 -9.095 -13.579 10.949 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.168 -13.853 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.441 -15.784 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.735 -16.165 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.420 -16.194 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.770 -15.120 12.661 1.00 0.00 H new ATOM 317 N GLY A 24 -5.907 -13.801 8.289 1.00 0.00 N ATOM 318 CA GLY A 24 -5.755 -13.533 6.871 1.00 0.00 C ATOM 319 C GLY A 24 -6.033 -12.085 6.521 1.00 0.00 C ATOM 320 O GLY A 24 -6.377 -11.769 5.382 1.00 0.00 O ATOM 0 H GLY A 24 -5.037 -13.995 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.742 -13.790 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.432 -14.176 6.308 1.00 0.00 H new ATOM 324 N VAL A 25 -5.885 -11.202 7.503 1.00 0.00 N ATOM 325 CA VAL A 25 -6.123 -9.778 7.293 1.00 0.00 C ATOM 326 C VAL A 25 -4.863 -8.965 7.565 1.00 0.00 C ATOM 327 O VAL A 25 -4.063 -9.312 8.435 1.00 0.00 O ATOM 328 CB VAL A 25 -7.260 -9.261 8.195 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.344 -7.744 8.130 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.585 -9.894 7.797 1.00 0.00 C ATOM 0 H VAL A 25 -5.602 -11.447 8.452 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.413 -9.655 6.249 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.042 -9.546 9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.153 -7.396 8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.401 -7.313 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.538 -7.434 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.377 -9.518 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.812 -9.642 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.516 -10.977 7.900 1.00 0.00 H new ATOM 340 N ILE A 26 -4.693 -7.880 6.817 1.00 0.00 N ATOM 341 CA ILE A 26 -3.531 -7.015 6.979 1.00 0.00 C ATOM 342 C ILE A 26 -3.945 -5.552 7.095 1.00 0.00 C ATOM 343 O ILE A 26 -4.501 -4.978 6.158 1.00 0.00 O ATOM 344 CB ILE A 26 -2.548 -7.167 5.803 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.819 -8.510 5.889 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.552 -6.018 5.793 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.951 -8.804 4.686 1.00 0.00 C ATOM 0 H ILE A 26 -5.345 -7.579 6.093 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.035 -7.323 7.899 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.113 -7.140 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.199 -8.521 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.554 -9.307 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.864 -6.140 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.087 -5.074 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.990 -6.015 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.465 -9.771 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.569 -8.826 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.193 -8.028 4.586 1.00 0.00 H new ATOM 359 N VAL A 27 -3.670 -4.954 8.249 1.00 0.00 N ATOM 360 CA VAL A 27 -4.011 -3.557 8.487 1.00 0.00 C ATOM 361 C VAL A 27 -2.852 -2.638 8.120 1.00 0.00 C ATOM 362 O VAL A 27 -1.876 -2.526 8.860 1.00 0.00 O ATOM 363 CB VAL A 27 -4.398 -3.316 9.958 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.844 -1.877 10.164 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.486 -4.288 10.389 1.00 0.00 C ATOM 0 H VAL A 27 -3.212 -5.416 9.035 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.867 -3.328 7.852 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.520 -3.491 10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.113 -1.726 11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.030 -1.202 9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.708 -1.670 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.747 -4.103 11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.368 -4.148 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.124 -5.310 10.281 1.00 0.00 H new ATOM 375 N GLY A 28 -2.966 -1.979 6.970 1.00 0.00 N ATOM 376 CA GLY A 28 -1.920 -1.077 6.525 1.00 0.00 C ATOM 377 C GLY A 28 -2.212 0.368 6.878 1.00 0.00 C ATOM 378 O GLY A 28 -3.316 0.861 6.644 1.00 0.00 O ATOM 0 H GLY A 28 -3.764 -2.054 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.973 -1.374 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.802 -1.167 5.445 1.00 0.00 H new ATOM 382 N HIS A 29 -1.220 1.048 7.444 1.00 0.00 N ATOM 383 CA HIS A 29 -1.376 2.446 7.832 1.00 0.00 C ATOM 384 C HIS A 29 -0.341 3.322 7.133 1.00 0.00 C ATOM 385 O HIS A 29 0.779 2.885 6.869 1.00 0.00 O ATOM 386 CB HIS A 29 -1.247 2.594 9.348 1.00 0.00 C ATOM 387 CG HIS A 29 -2.424 2.060 10.105 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.964 2.697 11.202 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.166 0.944 9.916 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.987 1.994 11.657 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.130 0.926 10.893 1.00 0.00 N ATOM 0 H HIS A 29 -0.300 0.655 7.644 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.370 2.774 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.347 2.076 9.680 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.117 3.648 9.592 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.627 3.573 11.600 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.026 0.205 9.141 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.601 2.249 12.508 1.00 0.00 H new ATOM 399 N TRP A 30 -0.724 4.558 6.836 1.00 0.00 N ATOM 400 CA TRP A 30 0.171 5.495 6.166 1.00 0.00 C ATOM 401 C TRP A 30 -0.077 6.922 6.644 1.00 0.00 C ATOM 402 O TRP A 30 -0.883 7.152 7.546 1.00 0.00 O ATOM 403 CB TRP A 30 -0.013 5.414 4.650 1.00 0.00 C ATOM 404 CG TRP A 30 -1.443 5.529 4.218 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.086 6.660 3.804 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.408 4.473 4.159 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.393 6.372 3.492 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.615 5.036 3.700 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.370 3.106 4.448 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.771 4.279 3.525 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.518 2.356 4.274 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.705 2.944 3.815 1.00 0.00 C ATOM 0 H TRP A 30 -1.648 4.935 7.048 1.00 0.00 H new ATOM 0 HA TRP A 30 1.196 5.220 6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.566 6.207 4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.392 4.467 4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.634 7.638 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.085 7.043 3.160 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.460 2.644 4.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.687 4.730 3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.500 1.299 4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.585 2.331 3.688 1.00 0.00 H new ATOM 423 N ALA A 31 0.619 7.875 6.035 1.00 0.00 N ATOM 424 CA ALA A 31 0.472 9.279 6.398 1.00 0.00 C ATOM 425 C ALA A 31 0.080 10.121 5.188 1.00 0.00 C ATOM 426 O ALA A 31 0.224 9.704 4.038 1.00 0.00 O ATOM 427 CB ALA A 31 1.761 9.804 7.012 1.00 0.00 C ATOM 0 H ALA A 31 1.291 7.701 5.287 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.327 9.355 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.636 10.854 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.999 9.229 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.573 9.706 6.292 1.00 0.00 H new ATOM 433 N PRO A 32 -0.429 11.334 5.449 1.00 0.00 N ATOM 434 CA PRO A 32 -0.852 12.259 4.394 1.00 0.00 C ATOM 435 C PRO A 32 0.327 12.816 3.604 1.00 0.00 C ATOM 436 O PRO A 32 1.422 13.011 4.131 1.00 0.00 O ATOM 437 CB PRO A 32 -1.556 13.379 5.165 1.00 0.00 C ATOM 438 CG PRO A 32 -0.949 13.341 6.526 1.00 0.00 C ATOM 439 CD PRO A 32 -0.629 11.896 6.796 1.00 0.00 C ATOM 0 HA PRO A 32 -1.485 11.770 3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.399 14.347 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.633 13.215 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.049 13.955 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.639 13.734 7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.264 11.790 7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.441 11.396 7.324 1.00 0.00 H new ATOM 447 N PRO A 33 0.101 13.079 2.308 1.00 0.00 N ATOM 448 CA PRO A 33 1.133 13.618 1.418 1.00 0.00 C ATOM 449 C PRO A 33 1.488 15.063 1.750 1.00 0.00 C ATOM 450 O PRO A 33 0.609 15.920 1.850 1.00 0.00 O ATOM 451 CB PRO A 33 0.487 13.531 0.033 1.00 0.00 C ATOM 452 CG PRO A 33 -0.979 13.566 0.295 1.00 0.00 C ATOM 453 CD PRO A 33 -1.181 12.870 1.613 1.00 0.00 C ATOM 0 HA PRO A 33 2.071 13.069 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.796 14.362 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.775 12.614 -0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.344 14.592 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.530 13.063 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.015 13.298 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.398 11.810 1.479 1.00 0.00 H new ATOM 461 N ILE A 34 2.779 15.327 1.919 1.00 0.00 N ATOM 462 CA ILE A 34 3.249 16.669 2.238 1.00 0.00 C ATOM 463 C ILE A 34 2.453 17.725 1.478 1.00 0.00 C ATOM 464 O ILE A 34 1.898 18.648 2.075 1.00 0.00 O ATOM 465 CB ILE A 34 4.744 16.835 1.910 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.566 15.753 2.613 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.225 18.220 2.316 1.00 0.00 C ATOM 468 CD1 ILE A 34 5.729 14.491 1.795 1.00 0.00 C ATOM 0 H ILE A 34 3.518 14.629 1.840 1.00 0.00 H new ATOM 0 HA ILE A 34 3.103 16.808 3.309 1.00 0.00 H new ATOM 0 HB ILE A 34 4.879 16.726 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.552 16.153 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.088 15.503 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.284 18.322 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.657 18.976 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.080 18.356 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.322 13.768 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.748 14.067 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.235 14.727 0.859 1.00 0.00 H new ATOM 480 N HIS A 35 2.401 17.582 0.158 1.00 0.00 N ATOM 481 CA HIS A 35 1.671 18.523 -0.685 1.00 0.00 C ATOM 482 C HIS A 35 1.215 17.854 -1.978 1.00 0.00 C ATOM 483 O HIS A 35 2.022 17.282 -2.712 1.00 0.00 O ATOM 484 CB HIS A 35 2.543 19.737 -1.005 1.00 0.00 C ATOM 485 CG HIS A 35 2.659 20.707 0.131 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.592 21.441 0.606 1.00 0.00 N ATOM 487 CD2 HIS A 35 3.724 21.062 0.887 1.00 0.00 C ATOM 488 CE1 HIS A 35 1.996 22.205 1.605 1.00 0.00 C ATOM 489 NE2 HIS A 35 3.286 21.994 1.796 1.00 0.00 N ATOM 0 H HIS A 35 2.855 16.824 -0.351 1.00 0.00 H new ATOM 0 HA HIS A 35 0.789 18.854 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.540 19.395 -1.283 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.130 20.253 -1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.731 20.683 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.377 22.886 2.170 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.863 22.449 2.503 1.00 0.00 H new ATOM 497 N THR A 36 -0.084 17.928 -2.252 1.00 0.00 N ATOM 498 CA THR A 36 -0.647 17.329 -3.455 1.00 0.00 C ATOM 499 C THR A 36 -1.124 18.398 -4.431 1.00 0.00 C ATOM 500 O THR A 36 -1.501 19.498 -4.026 1.00 0.00 O ATOM 501 CB THR A 36 -1.824 16.394 -3.118 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.756 17.068 -2.266 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.331 15.126 -2.438 1.00 0.00 C ATOM 0 H THR A 36 -0.766 18.397 -1.656 1.00 0.00 H new ATOM 0 HA THR A 36 0.148 16.747 -3.920 1.00 0.00 H new ATOM 0 HB THR A 36 -2.318 16.118 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.596 17.212 -2.749 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.180 14.482 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.645 14.600 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.814 15.386 -1.514 1.00 0.00 H new ATOM 511 N HIS A 37 -1.107 18.068 -5.718 1.00 0.00 N ATOM 512 CA HIS A 37 -1.540 19.001 -6.752 1.00 0.00 C ATOM 513 C HIS A 37 -2.990 19.421 -6.533 1.00 0.00 C ATOM 514 O HIS A 37 -3.287 20.604 -6.374 1.00 0.00 O ATOM 515 CB HIS A 37 -1.383 18.370 -8.136 1.00 0.00 C ATOM 516 CG HIS A 37 -1.329 19.371 -9.249 1.00 0.00 C ATOM 517 ND1 HIS A 37 -2.251 19.408 -10.273 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.457 20.377 -9.492 1.00 0.00 C ATOM 519 CE1 HIS A 37 -1.948 20.393 -11.100 1.00 0.00 C ATOM 520 NE2 HIS A 37 -0.863 20.997 -10.649 1.00 0.00 N ATOM 0 H HIS A 37 -0.798 17.162 -6.070 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.910 19.889 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.472 17.772 -8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.215 17.688 -8.312 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.399 20.643 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.494 20.659 -11.993 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.402 21.794 -11.088 1.00 0.00 H new ATOM 528 N GLY A 38 -3.890 18.442 -6.526 1.00 0.00 N ATOM 529 CA GLY A 38 -5.298 18.730 -6.326 1.00 0.00 C ATOM 530 C GLY A 38 -5.830 18.152 -5.030 1.00 0.00 C ATOM 531 O GLY A 38 -5.214 17.265 -4.438 1.00 0.00 O ATOM 0 H GLY A 38 -3.669 17.455 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.449 19.810 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.870 18.327 -7.162 1.00 0.00 H new ATOM 535 N LEU A 39 -6.976 18.656 -4.586 1.00 0.00 N ATOM 536 CA LEU A 39 -7.591 18.185 -3.350 1.00 0.00 C ATOM 537 C LEU A 39 -7.688 16.663 -3.335 1.00 0.00 C ATOM 538 O LEU A 39 -8.271 16.060 -4.236 1.00 0.00 O ATOM 539 CB LEU A 39 -8.983 18.798 -3.183 1.00 0.00 C ATOM 540 CG LEU A 39 -9.858 18.187 -2.088 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.205 18.356 -0.726 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.243 18.818 -2.099 1.00 0.00 C ATOM 0 H LEU A 39 -7.498 19.391 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.961 18.499 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.867 19.862 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.512 18.713 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.964 17.121 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.842 17.915 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.236 17.857 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.068 19.417 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.853 18.371 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.156 19.890 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.714 18.645 -3.066 1.00 0.00 H new ATOM 554 N ILE A 40 -7.114 16.049 -2.305 1.00 0.00 N ATOM 555 CA ILE A 40 -7.139 14.598 -2.171 1.00 0.00 C ATOM 556 C ILE A 40 -8.559 14.091 -1.942 1.00 0.00 C ATOM 557 O ILE A 40 -9.205 14.448 -0.957 1.00 0.00 O ATOM 558 CB ILE A 40 -6.243 14.124 -1.012 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.796 14.562 -1.245 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.327 12.612 -0.861 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.022 14.796 0.034 1.00 0.00 C ATOM 0 H ILE A 40 -6.626 16.534 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.756 14.188 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.597 14.582 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.285 13.801 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.793 15.479 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.688 12.293 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.358 12.324 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.996 12.135 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.005 15.104 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.509 15.578 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.994 13.875 0.616 1.00 0.00 H new ATOM 573 N ARG A 41 -9.038 13.255 -2.857 1.00 0.00 N ATOM 574 CA ARG A 41 -10.381 12.698 -2.755 1.00 0.00 C ATOM 575 C ARG A 41 -10.385 11.443 -1.888 1.00 0.00 C ATOM 576 O ARG A 41 -11.271 11.254 -1.055 1.00 0.00 O ATOM 577 CB ARG A 41 -10.929 12.372 -4.145 1.00 0.00 C ATOM 578 CG ARG A 41 -10.811 13.522 -5.131 1.00 0.00 C ATOM 579 CD ARG A 41 -11.513 13.206 -6.443 1.00 0.00 C ATOM 580 NE ARG A 41 -10.900 12.075 -7.133 1.00 0.00 N ATOM 581 CZ ARG A 41 -11.113 11.792 -8.413 1.00 0.00 C ATOM 582 NH1 ARG A 41 -11.920 12.554 -9.139 1.00 0.00 N ATOM 583 NH2 ARG A 41 -10.518 10.745 -8.971 1.00 0.00 N ATOM 0 H ARG A 41 -8.516 12.948 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.021 13.445 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.397 11.508 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.977 12.087 -4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.242 14.423 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.759 13.733 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.563 12.986 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.485 14.083 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.274 11.469 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.379 13.360 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.082 12.334 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.896 10.156 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.683 10.529 -9.954 1.00 0.00 H new ATOM 597 N GLU A 42 -9.388 10.587 -2.090 1.00 0.00 N ATOM 598 CA GLU A 42 -9.277 9.349 -1.328 1.00 0.00 C ATOM 599 C GLU A 42 -7.903 8.713 -1.519 1.00 0.00 C ATOM 600 O GLU A 42 -7.066 9.229 -2.260 1.00 0.00 O ATOM 601 CB GLU A 42 -10.370 8.365 -1.750 1.00 0.00 C ATOM 602 CG GLU A 42 -10.498 8.206 -3.255 1.00 0.00 C ATOM 603 CD GLU A 42 -11.859 7.683 -3.673 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.548 7.079 -2.824 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.234 7.876 -4.848 1.00 0.00 O ATOM 0 H GLU A 42 -8.646 10.728 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.403 9.590 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.161 7.391 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.325 8.701 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.320 9.168 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.726 7.524 -3.612 1.00 0.00 H new ATOM 612 N TYR A 43 -7.679 7.590 -0.846 1.00 0.00 N ATOM 613 CA TYR A 43 -6.406 6.884 -0.938 1.00 0.00 C ATOM 614 C TYR A 43 -6.620 5.426 -1.331 1.00 0.00 C ATOM 615 O TYR A 43 -7.321 4.683 -0.643 1.00 0.00 O ATOM 616 CB TYR A 43 -5.658 6.962 0.393 1.00 0.00 C ATOM 617 CG TYR A 43 -5.653 8.345 1.005 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.642 9.252 0.712 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.659 8.744 1.877 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.633 10.516 1.269 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.658 10.006 2.438 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.643 10.888 2.131 1.00 0.00 C ATOM 623 OH TYR A 43 -5.638 12.147 2.687 1.00 0.00 O ATOM 0 H TYR A 43 -8.362 7.149 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.807 7.365 -1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.112 6.264 1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.629 6.637 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.850 8.964 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.455 8.056 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.840 11.209 1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.448 10.301 3.113 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.419 12.250 3.270 1.00 0.00 H new ATOM 633 N ILE A 44 -6.009 5.023 -2.440 1.00 0.00 N ATOM 634 CA ILE A 44 -6.130 3.653 -2.924 1.00 0.00 C ATOM 635 C ILE A 44 -5.052 2.760 -2.320 1.00 0.00 C ATOM 636 O ILE A 44 -3.962 3.224 -1.984 1.00 0.00 O ATOM 637 CB ILE A 44 -6.035 3.588 -4.459 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.771 2.354 -4.986 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.578 3.570 -4.899 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.897 2.324 -6.493 1.00 0.00 C ATOM 0 H ILE A 44 -5.425 5.625 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.111 3.294 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.510 4.476 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.245 1.458 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.767 2.319 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.527 3.524 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.081 4.476 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.081 2.698 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.429 1.422 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.449 3.201 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.903 2.327 -6.941 1.00 0.00 H new ATOM 652 N VAL A 45 -5.363 1.474 -2.186 1.00 0.00 N ATOM 653 CA VAL A 45 -4.420 0.514 -1.626 1.00 0.00 C ATOM 654 C VAL A 45 -4.321 -0.733 -2.498 1.00 0.00 C ATOM 655 O VAL A 45 -5.292 -1.473 -2.649 1.00 0.00 O ATOM 656 CB VAL A 45 -4.823 0.099 -0.198 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.888 1.314 0.713 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.154 -0.638 -0.215 1.00 0.00 C ATOM 0 H VAL A 45 -6.261 1.074 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.449 1.007 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.064 -0.577 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.174 1.001 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.911 1.795 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.626 2.018 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.424 -0.924 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.925 0.013 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.067 -1.532 -0.833 1.00 0.00 H new ATOM 668 N GLU A 46 -3.142 -0.958 -3.068 1.00 0.00 N ATOM 669 CA GLU A 46 -2.917 -2.116 -3.925 1.00 0.00 C ATOM 670 C GLU A 46 -2.085 -3.173 -3.205 1.00 0.00 C ATOM 671 O GLU A 46 -0.963 -2.908 -2.773 1.00 0.00 O ATOM 672 CB GLU A 46 -2.216 -1.693 -5.218 1.00 0.00 C ATOM 673 CG GLU A 46 -3.168 -1.194 -6.292 1.00 0.00 C ATOM 674 CD GLU A 46 -2.515 -1.111 -7.658 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.292 -1.349 -7.745 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.226 -0.808 -8.638 1.00 0.00 O ATOM 0 H GLU A 46 -2.328 -0.354 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.887 -2.548 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.495 -0.908 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.652 -2.540 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.030 -1.859 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.542 -0.209 -6.012 1.00 0.00 H new ATOM 683 N TYR A 47 -2.644 -4.372 -3.079 1.00 0.00 N ATOM 684 CA TYR A 47 -1.956 -5.469 -2.408 1.00 0.00 C ATOM 685 C TYR A 47 -1.948 -6.721 -3.280 1.00 0.00 C ATOM 686 O TYR A 47 -2.904 -6.992 -4.006 1.00 0.00 O ATOM 687 CB TYR A 47 -2.624 -5.773 -1.066 1.00 0.00 C ATOM 688 CG TYR A 47 -4.079 -6.164 -1.189 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.069 -5.199 -1.329 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.465 -7.498 -1.166 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.400 -5.551 -1.441 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.793 -7.861 -1.278 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.757 -6.883 -1.415 1.00 0.00 C ATOM 694 OH TYR A 47 -8.082 -7.239 -1.527 1.00 0.00 O ATOM 0 H TYR A 47 -3.571 -4.609 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.924 -5.164 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.080 -6.579 -0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.545 -4.896 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.793 -4.155 -1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.713 -8.266 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.157 -4.788 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.075 -8.903 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.163 -8.215 -1.492 1.00 0.00 H new ATOM 704 N SER A 48 -0.860 -7.481 -3.203 1.00 0.00 N ATOM 705 CA SER A 48 -0.724 -8.703 -3.987 1.00 0.00 C ATOM 706 C SER A 48 0.255 -9.667 -3.324 1.00 0.00 C ATOM 707 O SER A 48 1.284 -9.254 -2.790 1.00 0.00 O ATOM 708 CB SER A 48 -0.253 -8.374 -5.405 1.00 0.00 C ATOM 709 OG SER A 48 0.186 -9.541 -6.079 1.00 0.00 O ATOM 0 H SER A 48 -0.060 -7.272 -2.606 1.00 0.00 H new ATOM 0 HA SER A 48 -1.701 -9.183 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.067 -7.911 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.558 -7.647 -5.363 1.00 0.00 H new ATOM 0 HG SER A 48 -0.307 -9.638 -6.921 1.00 0.00 H new ATOM 715 N ARG A 49 -0.075 -10.954 -3.362 1.00 0.00 N ATOM 716 CA ARG A 49 0.773 -11.978 -2.765 1.00 0.00 C ATOM 717 C ARG A 49 2.098 -12.091 -3.513 1.00 0.00 C ATOM 718 O ARG A 49 2.122 -12.266 -4.731 1.00 0.00 O ATOM 719 CB ARG A 49 0.057 -13.330 -2.768 1.00 0.00 C ATOM 720 CG ARG A 49 0.852 -14.442 -2.103 1.00 0.00 C ATOM 721 CD ARG A 49 -0.005 -15.676 -1.870 1.00 0.00 C ATOM 722 NE ARG A 49 0.785 -16.904 -1.896 1.00 0.00 N ATOM 723 CZ ARG A 49 1.254 -17.454 -3.011 1.00 0.00 C ATOM 724 NH1 ARG A 49 1.013 -16.888 -4.185 1.00 0.00 N ATOM 725 NH2 ARG A 49 1.965 -18.572 -2.952 1.00 0.00 N ATOM 0 H ARG A 49 -0.924 -11.312 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 49 0.980 -11.687 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.901 -13.225 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.159 -13.615 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.706 -14.704 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.249 -14.088 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.510 -15.590 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.781 -15.728 -2.634 1.00 0.00 H new ATOM 0 HE ARG A 49 0.988 -17.365 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.466 -16.028 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.374 -17.312 -5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.152 -19.010 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.325 -18.993 -3.808 1.00 0.00 H new ATOM 739 N SER A 50 3.199 -11.989 -2.775 1.00 0.00 N ATOM 740 CA SER A 50 4.528 -12.076 -3.369 1.00 0.00 C ATOM 741 C SER A 50 4.547 -13.084 -4.513 1.00 0.00 C ATOM 742 O SER A 50 4.534 -14.294 -4.290 1.00 0.00 O ATOM 743 CB SER A 50 5.559 -12.470 -2.309 1.00 0.00 C ATOM 744 OG SER A 50 6.879 -12.232 -2.768 1.00 0.00 O ATOM 0 H SER A 50 3.197 -11.846 -1.765 1.00 0.00 H new ATOM 0 HA SER A 50 4.785 -11.095 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.381 -11.903 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.442 -13.524 -2.058 1.00 0.00 H new ATOM 0 HG SER A 50 7.519 -12.490 -2.072 1.00 0.00 H new ATOM 750 N GLY A 51 4.579 -12.576 -5.741 1.00 0.00 N ATOM 751 CA GLY A 51 4.599 -13.445 -6.904 1.00 0.00 C ATOM 752 C GLY A 51 3.230 -13.598 -7.537 1.00 0.00 C ATOM 753 O GLY A 51 2.617 -14.662 -7.454 1.00 0.00 O ATOM 0 H GLY A 51 4.591 -11.578 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.294 -13.044 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.974 -14.427 -6.614 1.00 0.00 H new ATOM 757 N SER A 52 2.750 -12.533 -8.169 1.00 0.00 N ATOM 758 CA SER A 52 1.442 -12.552 -8.814 1.00 0.00 C ATOM 759 C SER A 52 1.205 -11.266 -9.600 1.00 0.00 C ATOM 760 O SER A 52 1.297 -10.165 -9.055 1.00 0.00 O ATOM 761 CB SER A 52 0.338 -12.737 -7.771 1.00 0.00 C ATOM 762 OG SER A 52 0.177 -14.105 -7.437 1.00 0.00 O ATOM 0 H SER A 52 3.247 -11.646 -8.249 1.00 0.00 H new ATOM 0 HA SER A 52 1.419 -13.391 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.581 -12.167 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.601 -12.340 -8.157 1.00 0.00 H new ATOM 0 HG SER A 52 1.015 -14.584 -7.606 1.00 0.00 H new ATOM 768 N LYS A 53 0.899 -11.412 -10.884 1.00 0.00 N ATOM 769 CA LYS A 53 0.647 -10.264 -11.747 1.00 0.00 C ATOM 770 C LYS A 53 -0.653 -9.567 -11.359 1.00 0.00 C ATOM 771 O LYS A 53 -0.870 -8.404 -11.698 1.00 0.00 O ATOM 772 CB LYS A 53 0.584 -10.705 -13.211 1.00 0.00 C ATOM 773 CG LYS A 53 1.902 -11.241 -13.742 1.00 0.00 C ATOM 774 CD LYS A 53 1.755 -11.790 -15.151 1.00 0.00 C ATOM 775 CE LYS A 53 3.101 -12.177 -15.743 1.00 0.00 C ATOM 776 NZ LYS A 53 2.955 -12.830 -17.073 1.00 0.00 N ATOM 0 H LYS A 53 0.819 -12.315 -11.351 1.00 0.00 H new ATOM 0 HA LYS A 53 1.469 -9.559 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.181 -11.474 -13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.272 -9.859 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.648 -10.446 -13.737 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.269 -12.026 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.099 -12.661 -15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.279 -11.043 -15.786 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.724 -11.288 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.617 -12.853 -15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.895 -13.078 -17.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.382 -13.693 -16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.486 -12.176 -17.731 1.00 0.00 H new ATOM 790 N MET A 54 -1.514 -10.285 -10.645 1.00 0.00 N ATOM 791 CA MET A 54 -2.792 -9.734 -10.209 1.00 0.00 C ATOM 792 C MET A 54 -2.607 -8.830 -8.994 1.00 0.00 C ATOM 793 O MET A 54 -1.693 -9.030 -8.194 1.00 0.00 O ATOM 794 CB MET A 54 -3.772 -10.861 -9.877 1.00 0.00 C ATOM 795 CG MET A 54 -5.229 -10.476 -10.072 1.00 0.00 C ATOM 796 SD MET A 54 -5.915 -9.610 -8.646 1.00 0.00 S ATOM 797 CE MET A 54 -6.567 -10.983 -7.698 1.00 0.00 C ATOM 0 H MET A 54 -1.350 -11.249 -10.356 1.00 0.00 H new ATOM 0 HA MET A 54 -3.200 -9.138 -11.025 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.546 -11.724 -10.503 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.621 -11.169 -8.842 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.319 -9.843 -10.955 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.816 -11.374 -10.264 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.025 -10.608 -6.783 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.316 -11.510 -8.289 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.757 -11.667 -7.444 1.00 0.00 H new ATOM 807 N TRP A 55 -3.480 -7.837 -8.863 1.00 0.00 N ATOM 808 CA TRP A 55 -3.412 -6.903 -7.745 1.00 0.00 C ATOM 809 C TRP A 55 -4.794 -6.353 -7.410 1.00 0.00 C ATOM 810 O TRP A 55 -5.511 -5.876 -8.289 1.00 0.00 O ATOM 811 CB TRP A 55 -2.457 -5.754 -8.071 1.00 0.00 C ATOM 812 CG TRP A 55 -1.011 -6.143 -8.000 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.337 -6.954 -8.868 1.00 0.00 C ATOM 814 CD2 TRP A 55 -0.064 -5.741 -7.005 1.00 0.00 C ATOM 815 NE1 TRP A 55 0.973 -7.079 -8.473 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.166 -6.344 -7.333 1.00 0.00 C ATOM 817 CE3 TRP A 55 -0.134 -4.928 -5.870 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.314 -6.160 -6.566 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.006 -4.746 -5.110 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.216 -5.359 -5.461 1.00 0.00 C ATOM 0 H TRP A 55 -4.242 -7.658 -9.517 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.036 -7.443 -6.876 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.677 -5.382 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.639 -4.932 -7.378 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.770 -7.427 -9.737 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.686 -7.630 -8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.062 -4.451 -5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.248 -6.632 -6.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.963 -4.121 -4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.089 -5.196 -4.847 1.00 0.00 H new ATOM 831 N ALA A 56 -5.161 -6.423 -6.135 1.00 0.00 N ATOM 832 CA ALA A 56 -6.457 -5.929 -5.685 1.00 0.00 C ATOM 833 C ALA A 56 -6.356 -4.488 -5.197 1.00 0.00 C ATOM 834 O ALA A 56 -5.554 -4.175 -4.317 1.00 0.00 O ATOM 835 CB ALA A 56 -7.009 -6.824 -4.585 1.00 0.00 C ATOM 0 H ALA A 56 -4.580 -6.817 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.141 -5.950 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.977 -6.444 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.127 -7.838 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.319 -6.832 -3.742 1.00 0.00 H new ATOM 841 N SER A 57 -7.174 -3.614 -5.775 1.00 0.00 N ATOM 842 CA SER A 57 -7.174 -2.205 -5.402 1.00 0.00 C ATOM 843 C SER A 57 -8.502 -1.811 -4.763 1.00 0.00 C ATOM 844 O SER A 57 -9.568 -2.224 -5.219 1.00 0.00 O ATOM 845 CB SER A 57 -6.907 -1.331 -6.629 1.00 0.00 C ATOM 846 OG SER A 57 -7.816 -1.628 -7.675 1.00 0.00 O ATOM 0 H SER A 57 -7.845 -3.857 -6.504 1.00 0.00 H new ATOM 0 HA SER A 57 -6.379 -2.048 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.993 -0.279 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.885 -1.488 -6.975 1.00 0.00 H new ATOM 0 HG SER A 57 -7.625 -1.055 -8.447 1.00 0.00 H new ATOM 852 N GLN A 58 -8.428 -1.011 -3.704 1.00 0.00 N ATOM 853 CA GLN A 58 -9.624 -0.563 -3.001 1.00 0.00 C ATOM 854 C GLN A 58 -9.444 0.856 -2.471 1.00 0.00 C ATOM 855 O GLN A 58 -8.323 1.295 -2.213 1.00 0.00 O ATOM 856 CB GLN A 58 -9.950 -1.513 -1.848 1.00 0.00 C ATOM 857 CG GLN A 58 -8.907 -1.508 -0.742 1.00 0.00 C ATOM 858 CD GLN A 58 -9.378 -2.224 0.508 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.573 -2.262 0.803 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.440 -2.799 1.251 1.00 0.00 N ATOM 0 H GLN A 58 -7.553 -0.660 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.453 -0.565 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.917 -1.240 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.048 -2.526 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.995 -1.982 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.653 -0.478 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.461 -2.743 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.698 -3.297 2.103 1.00 0.00 H new ATOM 869 N ARG A 59 -10.555 1.568 -2.312 1.00 0.00 N ATOM 870 CA ARG A 59 -10.519 2.938 -1.814 1.00 0.00 C ATOM 871 C ARG A 59 -10.445 2.961 -0.290 1.00 0.00 C ATOM 872 O ARG A 59 -10.772 1.977 0.372 1.00 0.00 O ATOM 873 CB ARG A 59 -11.754 3.707 -2.287 1.00 0.00 C ATOM 874 CG ARG A 59 -11.581 4.358 -3.649 1.00 0.00 C ATOM 875 CD ARG A 59 -11.105 3.356 -4.689 1.00 0.00 C ATOM 876 NE ARG A 59 -12.198 2.531 -5.195 1.00 0.00 N ATOM 877 CZ ARG A 59 -12.052 1.625 -6.155 1.00 0.00 C ATOM 878 NH1 ARG A 59 -10.864 1.429 -6.711 1.00 0.00 N ATOM 879 NH2 ARG A 59 -13.095 0.913 -6.562 1.00 0.00 N ATOM 0 H ARG A 59 -11.491 1.219 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.625 3.419 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.604 3.025 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.995 4.477 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.528 4.793 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.864 5.175 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.639 3.888 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.340 2.715 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.125 2.657 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.060 1.975 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.755 0.733 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.011 1.061 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.981 0.218 -7.299 1.00 0.00 H new ATOM 893 N ALA A 60 -10.012 4.091 0.259 1.00 0.00 N ATOM 894 CA ALA A 60 -9.897 4.243 1.704 1.00 0.00 C ATOM 895 C ALA A 60 -10.252 5.661 2.137 1.00 0.00 C ATOM 896 O ALA A 60 -9.678 6.633 1.648 1.00 0.00 O ATOM 897 CB ALA A 60 -8.490 3.887 2.161 1.00 0.00 C ATOM 0 H ALA A 60 -9.735 4.915 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.605 3.560 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.418 4.005 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.271 2.853 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.772 4.547 1.675 1.00 0.00 H new ATOM 903 N ALA A 61 -11.204 5.772 3.058 1.00 0.00 N ATOM 904 CA ALA A 61 -11.636 7.072 3.558 1.00 0.00 C ATOM 905 C ALA A 61 -10.635 7.633 4.563 1.00 0.00 C ATOM 906 O ALA A 61 -10.460 8.847 4.667 1.00 0.00 O ATOM 907 CB ALA A 61 -13.016 6.963 4.189 1.00 0.00 C ATOM 0 H ALA A 61 -11.691 4.978 3.473 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.688 7.760 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.326 7.941 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.730 6.613 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.982 6.256 5.018 1.00 0.00 H new ATOM 913 N SER A 62 -9.982 6.742 5.302 1.00 0.00 N ATOM 914 CA SER A 62 -9.003 7.149 6.302 1.00 0.00 C ATOM 915 C SER A 62 -7.583 6.882 5.812 1.00 0.00 C ATOM 916 O SER A 62 -7.378 6.427 4.688 1.00 0.00 O ATOM 917 CB SER A 62 -9.248 6.407 7.618 1.00 0.00 C ATOM 918 OG SER A 62 -10.320 6.988 8.339 1.00 0.00 O ATOM 0 H SER A 62 -10.114 5.733 5.227 1.00 0.00 H new ATOM 0 HA SER A 62 -9.116 8.220 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.469 5.360 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.343 6.429 8.225 1.00 0.00 H new ATOM 0 HG SER A 62 -10.457 6.495 9.175 1.00 0.00 H new ATOM 924 N ASN A 63 -6.605 7.170 6.665 1.00 0.00 N ATOM 925 CA ASN A 63 -5.203 6.962 6.320 1.00 0.00 C ATOM 926 C ASN A 63 -4.795 5.510 6.552 1.00 0.00 C ATOM 927 O ASN A 63 -3.608 5.193 6.631 1.00 0.00 O ATOM 928 CB ASN A 63 -4.310 7.892 7.143 1.00 0.00 C ATOM 929 CG ASN A 63 -4.308 9.312 6.611 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.361 9.880 6.322 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.120 9.892 6.478 1.00 0.00 N ATOM 0 H ASN A 63 -6.757 7.548 7.600 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.077 7.191 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.650 7.895 8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.291 7.506 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.055 10.846 6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.273 9.383 6.730 1.00 0.00 H new ATOM 938 N PHE A 64 -5.787 4.632 6.659 1.00 0.00 N ATOM 939 CA PHE A 64 -5.532 3.214 6.882 1.00 0.00 C ATOM 940 C PHE A 64 -6.638 2.360 6.269 1.00 0.00 C ATOM 941 O PHE A 64 -7.685 2.871 5.870 1.00 0.00 O ATOM 942 CB PHE A 64 -5.419 2.924 8.380 1.00 0.00 C ATOM 943 CG PHE A 64 -6.732 2.583 9.025 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.761 3.509 9.064 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.936 1.336 9.594 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.971 3.198 9.656 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.143 1.019 10.187 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.161 1.952 10.220 1.00 0.00 C ATOM 0 H PHE A 64 -6.775 4.878 6.595 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.589 2.959 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.724 2.098 8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.993 3.794 8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.616 4.486 8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.143 0.604 9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.766 3.928 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.290 0.043 10.624 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.104 1.707 10.686 1.00 0.00 H new ATOM 958 N THR A 65 -6.397 1.054 6.196 1.00 0.00 N ATOM 959 CA THR A 65 -7.370 0.128 5.630 1.00 0.00 C ATOM 960 C THR A 65 -7.168 -1.282 6.174 1.00 0.00 C ATOM 961 O THR A 65 -6.224 -1.539 6.921 1.00 0.00 O ATOM 962 CB THR A 65 -7.283 0.091 4.093 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.401 -0.624 3.556 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.989 -0.568 3.640 1.00 0.00 C ATOM 0 H THR A 65 -5.536 0.614 6.522 1.00 0.00 H new ATOM 0 HA THR A 65 -8.356 0.489 5.921 1.00 0.00 H new ATOM 0 HB THR A 65 -7.298 1.117 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.427 -0.507 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.950 -0.583 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.139 -0.005 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.949 -1.589 4.018 1.00 0.00 H new ATOM 972 N GLU A 66 -8.060 -2.191 5.793 1.00 0.00 N ATOM 973 CA GLU A 66 -7.977 -3.576 6.244 1.00 0.00 C ATOM 974 C GLU A 66 -8.085 -4.539 5.065 1.00 0.00 C ATOM 975 O GLU A 66 -9.167 -4.742 4.513 1.00 0.00 O ATOM 976 CB GLU A 66 -9.082 -3.871 7.260 1.00 0.00 C ATOM 977 CG GLU A 66 -8.708 -3.509 8.688 1.00 0.00 C ATOM 978 CD GLU A 66 -9.914 -3.142 9.532 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.406 -2.002 9.397 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.365 -3.994 10.326 1.00 0.00 O ATOM 0 H GLU A 66 -8.847 -1.994 5.175 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.007 -3.719 6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.980 -3.321 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.331 -4.931 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.190 -4.350 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.010 -2.672 8.676 1.00 0.00 H new ATOM 987 N ILE A 67 -6.956 -5.127 4.685 1.00 0.00 N ATOM 988 CA ILE A 67 -6.923 -6.069 3.572 1.00 0.00 C ATOM 989 C ILE A 67 -7.226 -7.487 4.044 1.00 0.00 C ATOM 990 O ILE A 67 -6.353 -8.181 4.565 1.00 0.00 O ATOM 991 CB ILE A 67 -5.555 -6.056 2.865 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.256 -4.662 2.312 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.526 -7.092 1.750 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.796 -4.443 1.982 1.00 0.00 C ATOM 0 H ILE A 67 -6.052 -4.968 5.131 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.691 -5.752 2.866 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.784 -6.311 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.851 -4.501 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.571 -3.915 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.553 -7.071 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.700 -8.083 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.304 -6.865 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.658 -3.433 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.196 -4.571 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.481 -5.166 1.230 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.471 -7.914 3.855 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.890 -9.251 4.257 1.00 0.00 C ATOM 1008 C LYS A 68 -8.799 -10.225 3.087 1.00 0.00 C ATOM 1009 O LYS A 68 -8.416 -9.846 1.981 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.322 -9.218 4.797 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.640 -7.971 5.603 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.678 -8.250 6.677 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.482 -7.352 7.889 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.177 -6.045 7.728 1.00 0.00 N ATOM 0 H LYS A 68 -9.207 -7.353 3.426 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.219 -9.593 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.018 -9.287 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.486 -10.096 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.728 -7.594 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.006 -7.190 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.677 -8.097 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.615 -9.294 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.858 -7.856 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.417 -7.180 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.020 -5.462 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.801 -5.552 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.197 -6.207 7.604 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.154 -11.481 3.339 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.113 -12.509 2.305 1.00 0.00 C ATOM 1030 C ASN A 69 -7.675 -12.817 1.902 1.00 0.00 C ATOM 1031 O ASN A 69 -7.345 -12.852 0.715 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.914 -12.062 1.081 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.196 -11.344 1.458 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.978 -11.834 2.272 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.415 -10.176 0.866 1.00 0.00 N ATOM 0 H ASN A 69 -9.473 -11.811 4.250 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.560 -13.417 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.299 -11.403 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.155 -12.932 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.260 -9.646 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.738 -9.808 0.197 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.822 -13.040 2.895 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.418 -13.346 2.645 1.00 0.00 C ATOM 1044 C LEU A 70 -5.053 -14.720 3.198 1.00 0.00 C ATOM 1045 O LEU A 70 -5.889 -15.406 3.789 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.522 -12.277 3.272 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.901 -10.825 2.976 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.080 -9.874 3.831 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.711 -10.516 1.498 1.00 0.00 C ATOM 0 H LEU A 70 -7.078 -13.015 3.882 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.261 -13.355 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.523 -12.419 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.500 -12.442 2.930 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.953 -10.686 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.364 -8.846 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.266 -10.080 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.021 -10.013 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.985 -9.479 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.667 -10.672 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.344 -11.175 0.904 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.800 -15.116 3.005 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.322 -16.407 3.487 1.00 0.00 C ATOM 1063 C LEU A 71 -2.344 -16.230 4.643 1.00 0.00 C ATOM 1064 O LEU A 71 -1.259 -15.674 4.472 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.652 -17.181 2.350 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.540 -17.520 1.153 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.693 -17.951 -0.035 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.539 -18.606 1.520 1.00 0.00 C ATOM 0 H LEU A 71 -3.096 -14.561 2.518 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.181 -16.973 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.802 -16.599 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.254 -18.111 2.756 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.095 -16.625 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.342 -18.188 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.018 -17.142 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.111 -18.832 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.162 -18.834 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.003 -19.504 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.168 -18.260 2.340 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.734 -16.707 5.821 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.891 -16.604 7.005 1.00 0.00 C ATOM 1082 C VAL A 72 -0.496 -17.157 6.736 1.00 0.00 C ATOM 1083 O VAL A 72 -0.333 -18.128 5.999 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.507 -17.356 8.200 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.893 -16.814 8.515 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.560 -18.850 7.919 1.00 0.00 C ATOM 0 H VAL A 72 -3.629 -17.169 5.980 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.818 -15.544 7.250 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.874 -17.196 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.312 -17.357 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.822 -15.755 8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.539 -16.941 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.998 -19.366 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.169 -19.032 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.551 -19.224 7.748 1.00 0.00 H new ATOM 1096 N ASN A 73 0.509 -16.530 7.339 1.00 0.00 N ATOM 1097 CA ASN A 73 1.892 -16.959 7.164 1.00 0.00 C ATOM 1098 C ASN A 73 2.312 -16.861 5.701 1.00 0.00 C ATOM 1099 O ASN A 73 2.965 -17.759 5.168 1.00 0.00 O ATOM 1100 CB ASN A 73 2.070 -18.395 7.662 1.00 0.00 C ATOM 1101 CG ASN A 73 2.387 -18.458 9.144 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.077 -17.591 9.680 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.883 -19.488 9.814 1.00 0.00 N ATOM 0 H ASN A 73 0.392 -15.724 7.953 1.00 0.00 H new ATOM 0 HA ASN A 73 2.528 -16.296 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.160 -18.961 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.872 -18.874 7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.063 -19.583 10.813 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.316 -20.184 9.329 1.00 0.00 H new ATOM 1110 N THR A 74 1.931 -15.764 5.054 1.00 0.00 N ATOM 1111 CA THR A 74 2.267 -15.548 3.652 1.00 0.00 C ATOM 1112 C THR A 74 2.683 -14.103 3.402 1.00 0.00 C ATOM 1113 O THR A 74 2.018 -13.168 3.852 1.00 0.00 O ATOM 1114 CB THR A 74 1.082 -15.895 2.731 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.643 -17.235 2.982 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.473 -15.750 1.268 1.00 0.00 C ATOM 0 H THR A 74 1.389 -15.011 5.479 1.00 0.00 H new ATOM 0 HA THR A 74 3.103 -16.209 3.422 1.00 0.00 H new ATOM 0 HB THR A 74 0.269 -15.201 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.134 -17.218 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.620 -16.000 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.779 -14.722 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.300 -16.424 1.044 1.00 0.00 H new ATOM 1124 N LEU A 75 3.786 -13.926 2.683 1.00 0.00 N ATOM 1125 CA LEU A 75 4.291 -12.593 2.373 1.00 0.00 C ATOM 1126 C LEU A 75 3.317 -11.837 1.474 1.00 0.00 C ATOM 1127 O LEU A 75 2.906 -12.339 0.427 1.00 0.00 O ATOM 1128 CB LEU A 75 5.659 -12.689 1.695 1.00 0.00 C ATOM 1129 CG LEU A 75 6.511 -11.420 1.721 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.712 -10.229 1.214 1.00 0.00 C ATOM 1131 CD2 LEU A 75 7.033 -11.156 3.126 1.00 0.00 C ATOM 0 H LEU A 75 4.348 -14.688 2.304 1.00 0.00 H new ATOM 0 HA LEU A 75 4.394 -12.044 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.223 -13.491 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.507 -12.980 0.655 1.00 0.00 H new ATOM 0 HG LEU A 75 7.365 -11.566 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.335 -9.335 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.389 -10.417 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.838 -10.081 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.637 -10.249 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.193 -11.032 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.643 -11.998 3.452 1.00 0.00 H new ATOM 1143 N TYR A 76 2.954 -10.628 1.888 1.00 0.00 N ATOM 1144 CA TYR A 76 2.029 -9.803 1.120 1.00 0.00 C ATOM 1145 C TYR A 76 2.570 -8.387 0.955 1.00 0.00 C ATOM 1146 O TYR A 76 2.940 -7.732 1.931 1.00 0.00 O ATOM 1147 CB TYR A 76 0.661 -9.763 1.804 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.262 -10.882 1.379 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.987 -10.801 0.197 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.410 -12.021 2.161 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.832 -11.821 -0.195 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.251 -13.047 1.776 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.960 -12.942 0.598 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.801 -13.961 0.212 1.00 0.00 O ATOM 0 H TYR A 76 3.286 -10.198 2.751 1.00 0.00 H new ATOM 0 HA TYR A 76 1.920 -10.248 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.803 -9.811 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.184 -8.807 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.888 -9.925 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.142 -12.106 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.389 -11.741 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.353 -13.927 2.394 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.458 -14.814 0.551 1.00 0.00 H new ATOM 1164 N THR A 77 2.614 -7.917 -0.288 1.00 0.00 N ATOM 1165 CA THR A 77 3.110 -6.579 -0.583 1.00 0.00 C ATOM 1166 C THR A 77 1.970 -5.568 -0.629 1.00 0.00 C ATOM 1167 O THR A 77 0.988 -5.756 -1.348 1.00 0.00 O ATOM 1168 CB THR A 77 3.867 -6.543 -1.924 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.857 -7.577 -1.955 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.530 -5.191 -2.135 1.00 0.00 C ATOM 0 H THR A 77 2.312 -8.444 -1.107 1.00 0.00 H new ATOM 0 HA THR A 77 3.797 -6.312 0.220 1.00 0.00 H new ATOM 0 HB THR A 77 3.148 -6.705 -2.727 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.333 -7.549 -2.811 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.058 -5.190 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.770 -4.410 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.238 -5.003 -1.328 1.00 0.00 H new ATOM 1178 N VAL A 78 2.106 -4.494 0.143 1.00 0.00 N ATOM 1179 CA VAL A 78 1.087 -3.452 0.189 1.00 0.00 C ATOM 1180 C VAL A 78 1.652 -2.111 -0.267 1.00 0.00 C ATOM 1181 O VAL A 78 2.826 -1.813 -0.044 1.00 0.00 O ATOM 1182 CB VAL A 78 0.507 -3.297 1.607 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.679 -2.344 1.597 1.00 0.00 C ATOM 1184 CG2 VAL A 78 0.108 -4.652 2.171 1.00 0.00 C ATOM 0 H VAL A 78 2.912 -4.323 0.745 1.00 0.00 H new ATOM 0 HA VAL A 78 0.291 -3.757 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 78 1.277 -2.874 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.076 -2.247 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.357 -1.366 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.455 -2.735 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.300 -4.523 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.646 -5.106 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.984 -5.300 2.216 1.00 0.00 H new ATOM 1194 N ARG A 79 0.809 -1.306 -0.905 1.00 0.00 N ATOM 1195 CA ARG A 79 1.225 0.003 -1.393 1.00 0.00 C ATOM 1196 C ARG A 79 0.030 0.945 -1.508 1.00 0.00 C ATOM 1197 O ARG A 79 -1.006 0.585 -2.068 1.00 0.00 O ATOM 1198 CB ARG A 79 1.916 -0.130 -2.751 1.00 0.00 C ATOM 1199 CG ARG A 79 0.959 -0.428 -3.894 1.00 0.00 C ATOM 1200 CD ARG A 79 1.695 -0.973 -5.108 1.00 0.00 C ATOM 1201 NE ARG A 79 2.629 -2.037 -4.751 1.00 0.00 N ATOM 1202 CZ ARG A 79 3.660 -2.395 -5.508 1.00 0.00 C ATOM 1203 NH1 ARG A 79 3.887 -1.777 -6.659 1.00 0.00 N ATOM 1204 NH2 ARG A 79 4.466 -3.373 -5.115 1.00 0.00 N ATOM 0 H ARG A 79 -0.166 -1.537 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 79 1.929 0.423 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.452 0.794 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.660 -0.925 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.212 -1.150 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.424 0.481 -4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.972 -1.353 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.238 -0.163 -5.596 1.00 0.00 H new ATOM 0 HE ARG A 79 2.482 -2.533 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.269 -1.025 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.679 -2.054 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.294 -3.851 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.257 -3.647 -5.697 1.00 0.00 H new ATOM 1218 N VAL A 80 0.180 2.153 -0.974 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.886 3.146 -1.018 1.00 0.00 C ATOM 1220 C VAL A 80 -0.557 4.262 -2.003 1.00 0.00 C ATOM 1221 O VAL A 80 0.607 4.495 -2.327 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.138 3.761 0.372 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.408 4.597 0.364 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.214 2.671 1.430 1.00 0.00 C ATOM 0 H VAL A 80 1.030 2.467 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.787 2.629 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.302 4.416 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.569 5.023 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.310 5.401 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.257 3.967 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.392 3.123 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.030 1.989 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.274 2.119 1.452 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.591 4.951 -2.476 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.412 6.045 -3.422 1.00 0.00 C ATOM 1236 C ALA A 81 -2.462 7.130 -3.212 1.00 0.00 C ATOM 1237 O ALA A 81 -3.642 6.837 -3.024 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.469 5.522 -4.850 1.00 0.00 C ATOM 0 H ALA A 81 -2.561 4.770 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.431 6.487 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.334 6.350 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.677 4.788 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.437 5.053 -5.027 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.024 8.385 -3.243 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.927 9.514 -3.057 1.00 0.00 C ATOM 1246 C ALA A 82 -3.610 9.893 -4.367 1.00 0.00 C ATOM 1247 O ALA A 82 -2.949 10.256 -5.341 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.171 10.706 -2.490 1.00 0.00 C ATOM 0 H ALA A 82 -1.049 8.645 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.700 9.216 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.857 11.542 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.736 10.436 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.378 10.995 -3.179 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.936 9.804 -4.386 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.708 10.139 -5.576 1.00 0.00 C ATOM 1256 C VAL A 83 -6.076 11.618 -5.595 1.00 0.00 C ATOM 1257 O VAL A 83 -6.354 12.214 -4.554 1.00 0.00 O ATOM 1258 CB VAL A 83 -6.996 9.299 -5.664 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.046 10.016 -6.499 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.696 7.922 -6.237 1.00 0.00 C ATOM 0 H VAL A 83 -5.498 9.502 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.077 9.914 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.394 9.170 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.949 9.407 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.282 10.977 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.661 10.179 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.617 7.342 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.274 8.028 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.982 7.408 -5.594 1.00 0.00 H new ATOM 1270 N THR A 84 -6.078 12.207 -6.787 1.00 0.00 N ATOM 1271 CA THR A 84 -6.412 13.617 -6.943 1.00 0.00 C ATOM 1272 C THR A 84 -7.524 13.809 -7.967 1.00 0.00 C ATOM 1273 O THR A 84 -7.839 12.898 -8.733 1.00 0.00 O ATOM 1274 CB THR A 84 -5.184 14.440 -7.374 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.549 13.821 -8.499 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.188 14.567 -6.231 1.00 0.00 C ATOM 0 H THR A 84 -5.852 11.729 -7.659 1.00 0.00 H new ATOM 0 HA THR A 84 -6.754 13.970 -5.970 1.00 0.00 H new ATOM 0 HB THR A 84 -5.523 15.438 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.770 14.351 -8.768 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.329 15.152 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.665 15.065 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.855 13.575 -5.926 1.00 0.00 H new ATOM 1284 N SER A 85 -8.115 14.999 -7.977 1.00 0.00 N ATOM 1285 CA SER A 85 -9.195 15.310 -8.906 1.00 0.00 C ATOM 1286 C SER A 85 -8.952 14.650 -10.260 1.00 0.00 C ATOM 1287 O SER A 85 -9.895 14.291 -10.966 1.00 0.00 O ATOM 1288 CB SER A 85 -9.327 16.824 -9.080 1.00 0.00 C ATOM 1289 OG SER A 85 -8.073 17.415 -9.376 1.00 0.00 O ATOM 0 H SER A 85 -7.864 15.765 -7.352 1.00 0.00 H new ATOM 0 HA SER A 85 -10.123 14.918 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.033 17.041 -9.882 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.734 17.264 -8.169 1.00 0.00 H new ATOM 0 HG SER A 85 -8.185 18.383 -9.484 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.681 14.495 -10.616 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.313 13.880 -11.886 1.00 0.00 C ATOM 1297 C ARG A 86 -7.343 12.358 -11.782 1.00 0.00 C ATOM 1298 O ARG A 86 -8.085 11.691 -12.502 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.922 14.345 -12.318 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.576 13.981 -13.753 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.986 12.582 -13.846 1.00 0.00 C ATOM 1302 NE ARG A 86 -4.604 12.240 -15.213 1.00 0.00 N ATOM 1303 CZ ARG A 86 -4.503 10.992 -15.658 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -4.756 9.974 -14.847 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -4.150 10.761 -16.916 1.00 0.00 N ATOM 0 H ARG A 86 -6.889 14.787 -10.043 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.041 14.190 -12.636 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.857 15.427 -12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.179 13.907 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.472 14.041 -14.371 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.865 14.704 -14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.113 12.513 -13.197 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.713 11.857 -13.480 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.404 13.001 -15.862 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.029 10.148 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.678 9.017 -15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.956 11.542 -17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.073 9.803 -17.256 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.531 11.815 -10.880 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.479 10.376 -10.699 1.00 0.00 C ATOM 1321 C GLY A 87 -5.402 9.953 -9.720 1.00 0.00 C ATOM 1322 O GLY A 87 -4.910 10.768 -8.938 1.00 0.00 O ATOM 0 H GLY A 87 -5.908 12.346 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.447 10.022 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.298 9.898 -11.662 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.035 8.677 -9.761 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.010 8.148 -8.870 1.00 0.00 C ATOM 1328 C ILE A 88 -2.629 8.672 -9.249 1.00 0.00 C ATOM 1329 O ILE A 88 -2.304 8.800 -10.429 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.986 6.608 -8.890 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.343 6.050 -8.458 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.879 6.084 -7.987 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.626 4.665 -8.997 1.00 0.00 C ATOM 0 H ILE A 88 -5.432 7.990 -10.402 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.261 8.486 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.785 6.275 -9.908 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.386 6.023 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.128 6.728 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.875 4.994 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.917 6.459 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.052 6.423 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.605 4.333 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.616 4.690 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.862 3.973 -8.643 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.818 8.972 -8.239 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.480 9.477 -8.487 1.00 0.00 C ATOM 1347 C GLY A 89 0.593 8.452 -8.177 1.00 0.00 C ATOM 1348 O GLY A 89 0.340 7.248 -8.213 1.00 0.00 O ATOM 0 H GLY A 89 -2.064 8.874 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.397 9.781 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.313 10.368 -7.881 1.00 0.00 H new ATOM 1352 N ASN A 90 1.796 8.929 -7.873 1.00 0.00 N ATOM 1353 CA ASN A 90 2.912 8.045 -7.559 1.00 0.00 C ATOM 1354 C ASN A 90 2.514 7.022 -6.500 1.00 0.00 C ATOM 1355 O ASN A 90 1.600 7.256 -5.708 1.00 0.00 O ATOM 1356 CB ASN A 90 4.112 8.859 -7.071 1.00 0.00 C ATOM 1357 CG ASN A 90 4.786 9.625 -8.193 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.027 10.827 -8.082 1.00 0.00 O ATOM 1359 ND2 ASN A 90 5.092 8.930 -9.283 1.00 0.00 N ATOM 0 H ASN A 90 2.023 9.923 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 90 3.188 7.512 -8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.784 9.559 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.836 8.190 -6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.545 9.392 -10.072 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.874 7.935 -9.331 1.00 0.00 H new ATOM 1366 N TRP A 91 3.205 5.888 -6.491 1.00 0.00 N ATOM 1367 CA TRP A 91 2.923 4.829 -5.529 1.00 0.00 C ATOM 1368 C TRP A 91 3.891 4.891 -4.352 1.00 0.00 C ATOM 1369 O TRP A 91 5.098 5.045 -4.537 1.00 0.00 O ATOM 1370 CB TRP A 91 3.012 3.460 -6.206 1.00 0.00 C ATOM 1371 CG TRP A 91 1.889 3.197 -7.163 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.939 3.271 -8.526 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.549 2.819 -6.829 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.711 2.963 -9.059 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.159 2.681 -8.039 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.121 2.582 -5.626 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.502 2.318 -8.078 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.455 2.222 -5.667 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.134 2.092 -6.885 1.00 0.00 C ATOM 0 H TRP A 91 3.964 5.678 -7.139 1.00 0.00 H new ATOM 0 HA TRP A 91 1.911 4.975 -5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.959 3.388 -6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.017 2.684 -5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.815 3.533 -9.100 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.484 2.947 -10.053 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.394 2.678 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.027 2.218 -9.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.983 2.038 -4.743 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.176 1.808 -6.883 1.00 0.00 H new ATOM 1390 N SER A 92 3.353 4.770 -3.143 1.00 0.00 N ATOM 1391 CA SER A 92 4.170 4.817 -1.935 1.00 0.00 C ATOM 1392 C SER A 92 5.175 3.669 -1.915 1.00 0.00 C ATOM 1393 O SER A 92 4.975 2.642 -2.563 1.00 0.00 O ATOM 1394 CB SER A 92 3.282 4.754 -0.691 1.00 0.00 C ATOM 1395 OG SER A 92 2.925 3.417 -0.386 1.00 0.00 O ATOM 0 H SER A 92 2.356 4.639 -2.973 1.00 0.00 H new ATOM 0 HA SER A 92 4.719 5.758 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.806 5.196 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.381 5.346 -0.853 1.00 0.00 H new ATOM 0 HG SER A 92 2.497 3.386 0.495 1.00 0.00 H new ATOM 1401 N ASP A 93 6.257 3.853 -1.166 1.00 0.00 N ATOM 1402 CA ASP A 93 7.295 2.833 -1.059 1.00 0.00 C ATOM 1403 C ASP A 93 6.698 1.491 -0.647 1.00 0.00 C ATOM 1404 O ASP A 93 6.596 1.185 0.540 1.00 0.00 O ATOM 1405 CB ASP A 93 8.360 3.263 -0.049 1.00 0.00 C ATOM 1406 CG ASP A 93 8.974 4.606 -0.392 1.00 0.00 C ATOM 1407 OD1 ASP A 93 8.236 5.613 -0.391 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.193 4.650 -0.662 1.00 0.00 O ATOM 0 H ASP A 93 6.438 4.698 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 93 7.759 2.718 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.915 3.313 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.145 2.508 -0.009 1.00 0.00 H new ATOM 1413 N SER A 94 6.304 0.696 -1.637 1.00 0.00 N ATOM 1414 CA SER A 94 5.712 -0.611 -1.377 1.00 0.00 C ATOM 1415 C SER A 94 6.551 -1.398 -0.374 1.00 0.00 C ATOM 1416 O SER A 94 7.758 -1.562 -0.549 1.00 0.00 O ATOM 1417 CB SER A 94 5.581 -1.403 -2.680 1.00 0.00 C ATOM 1418 OG SER A 94 6.791 -1.377 -3.417 1.00 0.00 O ATOM 0 H SER A 94 6.384 0.934 -2.626 1.00 0.00 H new ATOM 0 HA SER A 94 4.720 -0.455 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.310 -2.435 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.775 -0.985 -3.283 1.00 0.00 H new ATOM 0 HG SER A 94 7.550 -1.471 -2.804 1.00 0.00 H new ATOM 1424 N LYS A 95 5.901 -1.882 0.679 1.00 0.00 N ATOM 1425 CA LYS A 95 6.584 -2.652 1.712 1.00 0.00 C ATOM 1426 C LYS A 95 6.123 -4.106 1.700 1.00 0.00 C ATOM 1427 O LYS A 95 5.274 -4.492 0.897 1.00 0.00 O ATOM 1428 CB LYS A 95 6.328 -2.037 3.089 1.00 0.00 C ATOM 1429 CG LYS A 95 6.914 -0.645 3.253 1.00 0.00 C ATOM 1430 CD LYS A 95 8.414 -0.697 3.489 1.00 0.00 C ATOM 1431 CE LYS A 95 9.107 0.543 2.945 1.00 0.00 C ATOM 1432 NZ LYS A 95 9.522 0.368 1.526 1.00 0.00 N ATOM 0 H LYS A 95 4.902 -1.755 0.840 1.00 0.00 H new ATOM 0 HA LYS A 95 7.653 -2.626 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.253 -1.992 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.748 -2.691 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.705 -0.054 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.430 -0.142 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.612 -0.787 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.828 -1.585 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.436 1.398 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.982 0.767 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.310 1.012 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.826 -0.614 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.720 0.584 0.901 1.00 0.00 H new ATOM 1446 N SER A 96 6.689 -4.909 2.595 1.00 0.00 N ATOM 1447 CA SER A 96 6.338 -6.322 2.686 1.00 0.00 C ATOM 1448 C SER A 96 6.115 -6.734 4.137 1.00 0.00 C ATOM 1449 O SER A 96 6.763 -6.216 5.048 1.00 0.00 O ATOM 1450 CB SER A 96 7.438 -7.183 2.062 1.00 0.00 C ATOM 1451 OG SER A 96 8.718 -6.617 2.285 1.00 0.00 O ATOM 0 H SER A 96 7.393 -4.605 3.268 1.00 0.00 H new ATOM 0 HA SER A 96 5.409 -6.477 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.402 -8.187 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.263 -7.282 0.991 1.00 0.00 H new ATOM 0 HG SER A 96 9.403 -7.187 1.878 1.00 0.00 H new ATOM 1457 N ILE A 97 5.196 -7.670 4.345 1.00 0.00 N ATOM 1458 CA ILE A 97 4.888 -8.154 5.685 1.00 0.00 C ATOM 1459 C ILE A 97 4.414 -9.603 5.652 1.00 0.00 C ATOM 1460 O ILE A 97 3.626 -9.991 4.789 1.00 0.00 O ATOM 1461 CB ILE A 97 3.808 -7.288 6.362 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.523 -7.803 7.775 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.536 -7.281 5.528 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.835 -6.787 8.660 1.00 0.00 C ATOM 0 H ILE A 97 4.651 -8.109 3.603 1.00 0.00 H new ATOM 0 HA ILE A 97 5.810 -8.089 6.263 1.00 0.00 H new ATOM 0 HB ILE A 97 4.176 -6.265 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.901 -8.696 7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.462 -8.102 8.241 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.782 -6.665 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.751 -6.873 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.162 -8.300 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.664 -7.220 9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.465 -5.903 8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.880 -6.506 8.217 1.00 0.00 H new ATOM 1476 N THR A 98 4.899 -10.401 6.598 1.00 0.00 N ATOM 1477 CA THR A 98 4.525 -11.807 6.678 1.00 0.00 C ATOM 1478 C THR A 98 3.390 -12.019 7.674 1.00 0.00 C ATOM 1479 O THR A 98 3.592 -11.945 8.887 1.00 0.00 O ATOM 1480 CB THR A 98 5.723 -12.684 7.088 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.855 -12.385 6.263 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.378 -14.161 6.967 1.00 0.00 C ATOM 0 H THR A 98 5.552 -10.097 7.320 1.00 0.00 H new ATOM 0 HA THR A 98 4.191 -12.102 5.683 1.00 0.00 H new ATOM 0 HB THR A 98 5.965 -12.467 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.613 -12.946 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.239 -14.761 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.535 -14.392 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.113 -14.389 5.935 1.00 0.00 H new ATOM 1490 N THR A 99 2.195 -12.283 7.155 1.00 0.00 N ATOM 1491 CA THR A 99 1.028 -12.505 7.999 1.00 0.00 C ATOM 1492 C THR A 99 1.278 -13.628 8.999 1.00 0.00 C ATOM 1493 O THR A 99 2.327 -14.272 8.974 1.00 0.00 O ATOM 1494 CB THR A 99 -0.216 -12.850 7.158 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.092 -13.903 6.238 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.708 -11.630 6.394 1.00 0.00 C ATOM 0 H THR A 99 2.010 -12.348 6.154 1.00 0.00 H new ATOM 0 HA THR A 99 0.847 -11.575 8.538 1.00 0.00 H new ATOM 0 HB THR A 99 -1.005 -13.178 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.738 -14.251 5.849 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.587 -11.898 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.969 -10.840 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.079 -11.276 5.728 1.00 0.00 H new ATOM 1504 N ILE A 100 0.309 -13.858 9.878 1.00 0.00 N ATOM 1505 CA ILE A 100 0.424 -14.905 10.886 1.00 0.00 C ATOM 1506 C ILE A 100 -0.871 -15.701 11.002 1.00 0.00 C ATOM 1507 O ILE A 100 -1.925 -15.265 10.539 1.00 0.00 O ATOM 1508 CB ILE A 100 0.781 -14.321 12.266 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.398 -13.521 12.825 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.022 -13.447 12.167 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.260 -13.190 14.294 1.00 0.00 C ATOM 0 H ILE A 100 -0.565 -13.333 9.913 1.00 0.00 H new ATOM 0 HA ILE A 100 1.227 -15.568 10.563 1.00 0.00 H new ATOM 0 HB ILE A 100 0.994 -15.144 12.948 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.499 -12.594 12.260 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.316 -14.088 12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.261 -13.042 13.150 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.860 -14.044 11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.836 -12.628 11.473 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.131 -12.622 14.622 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.190 -14.113 14.870 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.640 -12.596 14.450 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.785 -16.872 11.625 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.950 -17.730 11.806 1.00 0.00 C ATOM 1525 C LYS A 101 -2.489 -17.623 13.230 1.00 0.00 C ATOM 1526 O LYS A 101 -2.584 -18.620 13.944 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.592 -19.184 11.493 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.797 -20.106 11.426 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.463 -21.498 11.935 1.00 0.00 C ATOM 1530 CE LYS A 101 -3.447 -22.534 11.412 1.00 0.00 C ATOM 1531 NZ LYS A 101 -3.387 -22.656 9.929 1.00 0.00 N ATOM 0 H LYS A 101 0.080 -17.248 12.013 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.726 -17.397 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.062 -19.222 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.905 -19.552 12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.610 -19.687 12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.151 -20.169 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.452 -21.766 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.475 -21.501 13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.231 -23.502 11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.458 -22.260 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.716 -23.601 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.996 -21.932 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.407 -22.520 9.609 1.00 0.00 H new ATOM 1545 N GLY A 102 -2.841 -16.406 13.635 1.00 0.00 N ATOM 1546 CA GLY A 102 -3.366 -16.192 14.970 1.00 0.00 C ATOM 1547 C GLY A 102 -2.276 -16.154 16.023 1.00 0.00 C ATOM 1548 O GLY A 102 -1.094 -16.285 15.707 1.00 0.00 O ATOM 0 H GLY A 102 -2.772 -15.565 13.062 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.921 -15.254 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.072 -16.987 15.211 1.00 0.00 H new ATOM 1552 N SER A 103 -2.674 -15.971 17.278 1.00 0.00 N ATOM 1553 CA SER A 103 -1.722 -15.911 18.381 1.00 0.00 C ATOM 1554 C SER A 103 -1.909 -17.093 19.326 1.00 0.00 C ATOM 1555 O SER A 103 -3.033 -17.498 19.617 1.00 0.00 O ATOM 1556 CB SER A 103 -1.883 -14.598 19.150 1.00 0.00 C ATOM 1557 OG SER A 103 -0.802 -14.394 20.044 1.00 0.00 O ATOM 0 H SER A 103 -3.649 -15.862 17.556 1.00 0.00 H new ATOM 0 HA SER A 103 -0.716 -15.959 17.963 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.940 -13.766 18.448 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.821 -14.611 19.705 1.00 0.00 H new ATOM 0 HG SER A 103 -0.928 -13.548 20.522 1.00 0.00 H new ATOM 1563 N GLY A 104 -0.796 -17.643 19.803 1.00 0.00 N ATOM 1564 CA GLY A 104 -0.857 -18.774 20.711 1.00 0.00 C ATOM 1565 C GLY A 104 -0.364 -18.429 22.102 1.00 0.00 C ATOM 1566 O GLY A 104 0.780 -18.706 22.464 1.00 0.00 O ATOM 0 H GLY A 104 0.147 -17.326 19.577 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.885 -19.132 20.772 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.258 -19.591 20.309 1.00 0.00 H new ATOM 1570 N PRO A 105 -1.238 -17.808 22.907 1.00 0.00 N ATOM 1571 CA PRO A 105 -0.906 -17.410 24.278 1.00 0.00 C ATOM 1572 C PRO A 105 -0.751 -18.608 25.208 1.00 0.00 C ATOM 1573 O PRO A 105 -1.569 -19.528 25.193 1.00 0.00 O ATOM 1574 CB PRO A 105 -2.106 -16.557 24.700 1.00 0.00 C ATOM 1575 CG PRO A 105 -3.231 -17.041 23.853 1.00 0.00 C ATOM 1576 CD PRO A 105 -2.618 -17.446 22.541 1.00 0.00 C ATOM 0 HA PRO A 105 0.048 -16.885 24.330 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.327 -16.681 25.760 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.915 -15.496 24.536 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.739 -17.883 24.323 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -3.977 -16.259 23.710 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.148 -18.286 22.092 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.641 -16.631 21.818 1.00 0.00 H new ATOM 1584 N SER A 106 0.303 -18.591 26.018 1.00 0.00 N ATOM 1585 CA SER A 106 0.566 -19.678 26.953 1.00 0.00 C ATOM 1586 C SER A 106 1.573 -19.249 28.016 1.00 0.00 C ATOM 1587 O SER A 106 1.995 -18.093 28.056 1.00 0.00 O ATOM 1588 CB SER A 106 1.089 -20.906 26.206 1.00 0.00 C ATOM 1589 OG SER A 106 1.047 -22.060 27.028 1.00 0.00 O ATOM 0 H SER A 106 0.988 -17.836 26.045 1.00 0.00 H new ATOM 0 HA SER A 106 -0.371 -19.934 27.447 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.491 -21.072 25.310 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.113 -20.727 25.877 1.00 0.00 H new ATOM 0 HG SER A 106 1.385 -22.831 26.527 1.00 0.00 H new ATOM 1595 N SER A 107 1.954 -20.189 28.875 1.00 0.00 N ATOM 1596 CA SER A 107 2.909 -19.908 29.941 1.00 0.00 C ATOM 1597 C SER A 107 3.551 -21.196 30.448 1.00 0.00 C ATOM 1598 O SER A 107 2.861 -22.124 30.867 1.00 0.00 O ATOM 1599 CB SER A 107 2.217 -19.181 31.096 1.00 0.00 C ATOM 1600 OG SER A 107 2.139 -17.788 30.848 1.00 0.00 O ATOM 0 H SER A 107 1.616 -21.151 28.854 1.00 0.00 H new ATOM 0 HA SER A 107 3.692 -19.267 29.535 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.214 -19.585 31.236 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.764 -19.359 32.022 1.00 0.00 H new ATOM 0 HG SER A 107 2.111 -17.629 29.881 1.00 0.00 H new ATOM 1606 N GLY A 108 4.879 -21.244 30.407 1.00 0.00 N ATOM 1607 CA GLY A 108 5.594 -22.421 30.864 1.00 0.00 C ATOM 1608 C GLY A 108 7.097 -22.273 30.737 1.00 0.00 C ATOM 1609 O GLY A 108 7.854 -23.113 31.224 1.00 0.00 O ATOM 0 H GLY A 108 5.473 -20.488 30.065 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.338 -22.616 31.905 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.267 -23.287 30.288 1.00 0.00 H new TER 1613 GLY A 108