USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -35:sc= 0.947 USER MOD Set 1.2: A 94 THR OG1 : rot 72:sc= 1.09 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -162:sc= 0.0624 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 95:sc= 1.03 USER MOD Set 3.1: A 24 ASN :FLIP amide:sc= -0.692 F(o=-1.4,f=-0.78) USER MOD Set 3.2: A 34 HIS :FLIP no HD1:sc= -0.0903 F(o=-1.4,f=-0.78) USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 8 HIS : no HE2:sc= -0.536 K(o=-0.54,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.524 USER MOD Single : A 15 MET CE :methyl -171:sc= -0.209 (180deg=-0.332) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0886 F(o=-0.91,f=-0.089) USER MOD Single : A 27 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.43) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.132) USER MOD Single : A 42 SER OG : rot -53:sc= 1.18 USER MOD Single : A 46 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 23:sc= 1.04 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.254 F(o=-2.1!,f=-0.25) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.521 K(o=-0.52,f=-2.1) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 78 SER OG : rot -37:sc= 0.0724 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.55 K(o=0.55,f=-2.1!) USER MOD Single : A 83 MET CE :methyl 176:sc= -0.274 (180deg=-0.37) USER MOD Single : A 92 HIS : no HE2:sc= -0.671 K(o=-0.67,f=-1.5) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.0399 USER MOD Single : A 96 ASN : amide:sc= -0.0381 K(o=-0.038,f=-0.96) USER MOD Single : A 101 ASN : amide:sc= 0.791 K(o=0.79,f=-10!) USER MOD Single : A 103 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.06) USER MOD Single : A 109 SER OG : rot 81:sc= 2.07 USER MOD Single : A 115 ASN : amide:sc= -0.008 X(o=-0.008,f=-0.008) USER MOD Single : A 116 THR OG1 : rot -179:sc= 1.72 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -103:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.696 -34.711 -1.735 1.00 0.00 N ATOM 2 CA GLY A 1 9.457 -33.382 -1.169 1.00 0.00 C ATOM 3 C GLY A 1 10.586 -33.032 -0.238 1.00 0.00 C ATOM 4 O GLY A 1 10.769 -33.745 0.747 1.00 0.00 O ATOM 0 H1 GLY A 1 8.918 -34.959 -2.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.594 -34.708 -2.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.746 -35.411 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.384 -32.642 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.509 -33.367 -0.632 1.00 0.00 H new ATOM 8 N SER A 2 11.301 -31.941 -0.527 1.00 0.00 N ATOM 9 CA SER A 2 12.561 -31.514 0.090 1.00 0.00 C ATOM 10 C SER A 2 13.726 -32.343 -0.470 1.00 0.00 C ATOM 11 O SER A 2 13.553 -33.533 -0.742 1.00 0.00 O ATOM 12 CB SER A 2 12.543 -31.577 1.635 1.00 0.00 C ATOM 13 OG SER A 2 11.243 -31.397 2.179 1.00 0.00 O ATOM 0 H SER A 2 10.994 -31.288 -1.248 1.00 0.00 H new ATOM 0 HA SER A 2 12.696 -30.464 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.937 -32.540 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.208 -30.810 2.033 1.00 0.00 H new ATOM 0 HG SER A 2 11.288 -31.447 3.157 1.00 0.00 H new ATOM 19 N SER A 3 14.905 -31.735 -0.618 1.00 0.00 N ATOM 20 CA SER A 3 16.173 -32.411 -0.879 1.00 0.00 C ATOM 21 C SER A 3 17.328 -31.428 -0.628 1.00 0.00 C ATOM 22 O SER A 3 17.103 -30.308 -0.161 1.00 0.00 O ATOM 23 CB SER A 3 16.196 -32.971 -2.312 1.00 0.00 C ATOM 24 OG SER A 3 16.150 -31.946 -3.284 1.00 0.00 O ATOM 0 H SER A 3 15.004 -30.722 -0.557 1.00 0.00 H new ATOM 0 HA SER A 3 16.290 -33.258 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.099 -33.565 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.348 -33.642 -2.452 1.00 0.00 H new ATOM 0 HG SER A 3 16.168 -32.343 -4.180 1.00 0.00 H new ATOM 30 N GLY A 4 18.562 -31.820 -0.952 1.00 0.00 N ATOM 31 CA GLY A 4 19.663 -30.892 -1.163 1.00 0.00 C ATOM 32 C GLY A 4 20.291 -30.413 0.138 1.00 0.00 C ATOM 33 O GLY A 4 21.347 -30.913 0.522 1.00 0.00 O ATOM 0 H GLY A 4 18.822 -32.799 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.427 -31.375 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.303 -30.031 -1.726 1.00 0.00 H new ATOM 37 N SER A 5 19.683 -29.419 0.778 1.00 0.00 N ATOM 38 CA SER A 5 20.140 -28.821 2.021 1.00 0.00 C ATOM 39 C SER A 5 18.897 -28.242 2.704 1.00 0.00 C ATOM 40 O SER A 5 18.114 -29.024 3.249 1.00 0.00 O ATOM 41 CB SER A 5 21.272 -27.830 1.694 1.00 0.00 C ATOM 42 OG SER A 5 21.744 -27.087 2.796 1.00 0.00 O ATOM 0 H SER A 5 18.825 -28.993 0.428 1.00 0.00 H new ATOM 0 HA SER A 5 20.586 -29.517 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.106 -28.383 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.920 -27.137 0.930 1.00 0.00 H new ATOM 0 HG SER A 5 22.460 -26.486 2.503 1.00 0.00 H new ATOM 48 N SER A 6 18.660 -26.925 2.643 1.00 0.00 N ATOM 49 CA SER A 6 17.562 -26.289 3.360 1.00 0.00 C ATOM 50 C SER A 6 16.213 -26.849 2.903 1.00 0.00 C ATOM 51 O SER A 6 15.964 -26.995 1.699 1.00 0.00 O ATOM 52 CB SER A 6 17.605 -24.774 3.142 1.00 0.00 C ATOM 53 OG SER A 6 16.721 -24.131 4.047 1.00 0.00 O ATOM 0 H SER A 6 19.226 -26.277 2.095 1.00 0.00 H new ATOM 0 HA SER A 6 17.676 -26.502 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.620 -24.405 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.324 -24.537 2.116 1.00 0.00 H new ATOM 0 HG SER A 6 16.754 -23.162 3.904 1.00 0.00 H new ATOM 59 N GLY A 7 15.326 -27.121 3.858 1.00 0.00 N ATOM 60 CA GLY A 7 13.952 -27.560 3.635 1.00 0.00 C ATOM 61 C GLY A 7 13.048 -27.087 4.767 1.00 0.00 C ATOM 62 O GLY A 7 12.162 -27.821 5.204 1.00 0.00 O ATOM 0 H GLY A 7 15.555 -27.038 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.589 -27.169 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.919 -28.647 3.566 1.00 0.00 H new ATOM 66 N HIS A 8 13.332 -25.909 5.320 1.00 0.00 N ATOM 67 CA HIS A 8 12.774 -25.450 6.583 1.00 0.00 C ATOM 68 C HIS A 8 12.878 -23.926 6.637 1.00 0.00 C ATOM 69 O HIS A 8 13.737 -23.379 7.336 1.00 0.00 O ATOM 70 CB HIS A 8 13.503 -26.151 7.749 1.00 0.00 C ATOM 71 CG HIS A 8 14.989 -26.315 7.528 1.00 0.00 C ATOM 72 ND1 HIS A 8 15.907 -25.297 7.401 1.00 0.00 N ATOM 73 CD2 HIS A 8 15.628 -27.493 7.249 1.00 0.00 C ATOM 74 CE1 HIS A 8 17.083 -25.852 7.064 1.00 0.00 C ATOM 75 NE2 HIS A 8 16.951 -27.182 6.934 1.00 0.00 N ATOM 0 H HIS A 8 13.969 -25.237 4.892 1.00 0.00 H new ATOM 0 HA HIS A 8 11.719 -25.710 6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.342 -25.579 8.663 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.058 -27.133 7.906 1.00 0.00 H new ATOM 0 HD1 HIS A 8 15.727 -24.302 7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.189 -28.480 7.269 1.00 0.00 H new ATOM 0 HE1 HIS A 8 18.004 -25.306 6.918 1.00 0.00 H new ATOM 83 N SER A 9 11.999 -23.222 5.923 1.00 0.00 N ATOM 84 CA SER A 9 11.948 -21.766 5.943 1.00 0.00 C ATOM 85 C SER A 9 10.501 -21.285 5.822 1.00 0.00 C ATOM 86 O SER A 9 10.011 -21.092 4.705 1.00 0.00 O ATOM 87 CB SER A 9 12.870 -21.216 4.850 1.00 0.00 C ATOM 88 OG SER A 9 12.476 -21.670 3.573 1.00 0.00 O ATOM 0 H SER A 9 11.302 -23.650 5.314 1.00 0.00 H new ATOM 0 HA SER A 9 12.313 -21.381 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.855 -20.126 4.872 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.897 -21.524 5.048 1.00 0.00 H new ATOM 0 HG SER A 9 11.502 -21.608 3.490 1.00 0.00 H new ATOM 94 N GLY A 10 9.807 -21.092 6.946 1.00 0.00 N ATOM 95 CA GLY A 10 8.458 -20.542 6.888 1.00 0.00 C ATOM 96 C GLY A 10 7.707 -20.398 8.205 1.00 0.00 C ATOM 97 O GLY A 10 6.531 -20.057 8.144 1.00 0.00 O ATOM 0 H GLY A 10 10.149 -21.303 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.514 -19.558 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.864 -21.174 6.228 1.00 0.00 H new ATOM 101 N GLU A 11 8.343 -20.621 9.361 1.00 0.00 N ATOM 102 CA GLU A 11 7.718 -20.931 10.657 1.00 0.00 C ATOM 103 C GLU A 11 6.384 -20.228 10.898 1.00 0.00 C ATOM 104 O GLU A 11 5.381 -20.907 11.101 1.00 0.00 O ATOM 105 CB GLU A 11 8.683 -20.631 11.815 1.00 0.00 C ATOM 106 CG GLU A 11 9.961 -21.466 11.734 1.00 0.00 C ATOM 107 CD GLU A 11 11.049 -20.930 12.655 1.00 0.00 C ATOM 108 OE1 GLU A 11 11.716 -19.931 12.281 1.00 0.00 O ATOM 109 OE2 GLU A 11 11.287 -21.524 13.726 1.00 0.00 O ATOM 0 H GLU A 11 9.361 -20.589 9.423 1.00 0.00 H new ATOM 0 HA GLU A 11 7.498 -21.998 10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.942 -19.572 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.182 -20.828 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.737 -22.499 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.326 -21.473 10.707 1.00 0.00 H new ATOM 116 N ASP A 12 6.361 -18.895 10.834 1.00 0.00 N ATOM 117 CA ASP A 12 5.198 -18.067 11.177 1.00 0.00 C ATOM 118 C ASP A 12 4.646 -17.329 9.946 1.00 0.00 C ATOM 119 O ASP A 12 3.722 -16.540 10.082 1.00 0.00 O ATOM 120 CB ASP A 12 5.606 -17.051 12.271 1.00 0.00 C ATOM 121 CG ASP A 12 4.657 -16.967 13.470 1.00 0.00 C ATOM 122 OD1 ASP A 12 4.372 -18.023 14.081 1.00 0.00 O ATOM 123 OD2 ASP A 12 4.301 -15.847 13.893 1.00 0.00 O ATOM 0 H ASP A 12 7.168 -18.347 10.536 1.00 0.00 H new ATOM 0 HA ASP A 12 4.406 -18.717 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.601 -17.311 12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.680 -16.063 11.817 1.00 0.00 H new ATOM 128 N LEU A 13 5.236 -17.494 8.750 1.00 0.00 N ATOM 129 CA LEU A 13 4.982 -16.626 7.589 1.00 0.00 C ATOM 130 C LEU A 13 3.529 -16.699 7.093 1.00 0.00 C ATOM 131 O LEU A 13 2.988 -17.807 7.001 1.00 0.00 O ATOM 132 CB LEU A 13 5.911 -16.975 6.409 1.00 0.00 C ATOM 133 CG LEU A 13 7.380 -16.561 6.590 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.197 -16.967 5.359 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.548 -15.048 6.767 1.00 0.00 C ATOM 0 H LEU A 13 5.907 -18.239 8.561 1.00 0.00 H new ATOM 0 HA LEU A 13 5.182 -15.613 7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.871 -18.051 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.524 -16.498 5.509 1.00 0.00 H new ATOM 0 HG LEU A 13 7.730 -17.067 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.236 -16.669 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.144 -18.048 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.793 -16.473 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.605 -14.811 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.161 -14.534 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.997 -14.722 7.649 1.00 0.00 H new ATOM 147 N PRO A 14 2.927 -15.564 6.679 1.00 0.00 N ATOM 148 CA PRO A 14 1.546 -15.528 6.220 1.00 0.00 C ATOM 149 C PRO A 14 1.397 -16.195 4.853 1.00 0.00 C ATOM 150 O PRO A 14 2.358 -16.343 4.089 1.00 0.00 O ATOM 151 CB PRO A 14 1.159 -14.044 6.154 1.00 0.00 C ATOM 152 CG PRO A 14 2.489 -13.337 5.937 1.00 0.00 C ATOM 153 CD PRO A 14 3.540 -14.249 6.549 1.00 0.00 C ATOM 0 HA PRO A 14 0.894 -16.079 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.463 -13.847 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.675 -13.715 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.679 -13.176 4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.495 -12.357 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.427 -14.296 5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.860 -13.873 7.521 1.00 0.00 H new ATOM 161 N MET A 15 0.156 -16.548 4.530 1.00 0.00 N ATOM 162 CA MET A 15 -0.194 -17.377 3.390 1.00 0.00 C ATOM 163 C MET A 15 -0.875 -16.597 2.284 1.00 0.00 C ATOM 164 O MET A 15 -0.602 -16.863 1.113 1.00 0.00 O ATOM 165 CB MET A 15 -1.123 -18.503 3.855 1.00 0.00 C ATOM 166 CG MET A 15 -0.319 -19.520 4.667 1.00 0.00 C ATOM 167 SD MET A 15 -1.005 -21.195 4.740 1.00 0.00 S ATOM 168 CE MET A 15 -2.482 -20.911 5.745 1.00 0.00 C ATOM 0 H MET A 15 -0.656 -16.254 5.073 1.00 0.00 H new ATOM 0 HA MET A 15 0.734 -17.776 2.982 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.932 -18.095 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.583 -18.989 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.686 -19.578 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.218 -19.145 5.685 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.928 -21.868 6.015 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.207 -20.370 6.651 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.202 -20.323 5.176 1.00 0.00 H new ATOM 178 N VAL A 16 -1.784 -15.687 2.624 1.00 0.00 N ATOM 179 CA VAL A 16 -2.708 -15.110 1.657 1.00 0.00 C ATOM 180 C VAL A 16 -2.724 -13.595 1.813 1.00 0.00 C ATOM 181 O VAL A 16 -2.451 -13.053 2.890 1.00 0.00 O ATOM 182 CB VAL A 16 -4.106 -15.767 1.763 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.025 -17.300 1.779 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.906 -15.288 2.970 1.00 0.00 C ATOM 0 H VAL A 16 -1.899 -15.332 3.573 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.369 -15.322 0.643 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.634 -15.448 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.029 -17.717 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.555 -17.649 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.433 -17.624 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.875 -15.787 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.362 -15.524 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.054 -14.210 2.904 1.00 0.00 H new ATOM 194 N ALA A 17 -3.032 -12.929 0.711 1.00 0.00 N ATOM 195 CA ALA A 17 -3.318 -11.516 0.645 1.00 0.00 C ATOM 196 C ALA A 17 -4.791 -11.306 1.000 1.00 0.00 C ATOM 197 O ALA A 17 -5.541 -12.286 1.026 1.00 0.00 O ATOM 198 CB ALA A 17 -3.051 -11.076 -0.788 1.00 0.00 C ATOM 0 H ALA A 17 -3.090 -13.385 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.703 -10.940 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.255 -10.010 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.009 -11.271 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.698 -11.632 -1.466 1.00 0.00 H new ATOM 204 N PRO A 18 -5.241 -10.062 1.236 1.00 0.00 N ATOM 205 CA PRO A 18 -6.666 -9.803 1.253 1.00 0.00 C ATOM 206 C PRO A 18 -7.290 -10.139 -0.099 1.00 0.00 C ATOM 207 O PRO A 18 -6.623 -10.085 -1.137 1.00 0.00 O ATOM 208 CB PRO A 18 -6.846 -8.337 1.630 1.00 0.00 C ATOM 209 CG PRO A 18 -5.443 -7.754 1.767 1.00 0.00 C ATOM 210 CD PRO A 18 -4.483 -8.825 1.265 1.00 0.00 C ATOM 0 HA PRO A 18 -7.178 -10.433 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.415 -7.806 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.400 -8.241 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.344 -6.839 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.229 -7.496 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.105 -8.576 0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.618 -8.913 1.923 1.00 0.00 H new ATOM 218 N GLY A 19 -8.591 -10.427 -0.054 1.00 0.00 N ATOM 219 CA GLY A 19 -9.436 -10.610 -1.217 1.00 0.00 C ATOM 220 C GLY A 19 -9.639 -9.304 -1.980 1.00 0.00 C ATOM 221 O GLY A 19 -8.826 -8.383 -1.918 1.00 0.00 O ATOM 0 H GLY A 19 -9.095 -10.541 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.989 -11.352 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.404 -11.003 -0.905 1.00 0.00 H new ATOM 225 N ASN A 20 -10.744 -9.236 -2.723 1.00 0.00 N ATOM 226 CA ASN A 20 -11.119 -8.091 -3.542 1.00 0.00 C ATOM 227 C ASN A 20 -10.944 -6.780 -2.776 1.00 0.00 C ATOM 228 O ASN A 20 -11.427 -6.618 -1.651 1.00 0.00 O ATOM 229 CB ASN A 20 -12.546 -8.227 -4.092 1.00 0.00 C ATOM 230 CG ASN A 20 -13.630 -7.879 -3.074 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.234 -6.707 -3.176 1.00 0.00 O flip ATOM 232 ND2 ASN A 20 -13.924 -8.673 -2.184 1.00 0.00 N flip ATOM 0 H ASN A 20 -11.419 -9.999 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.443 -8.071 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.654 -7.579 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.698 -9.250 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.445 -9.572 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.647 -8.434 -1.505 1.00 0.00 H new ATOM 239 N VAL A 21 -10.241 -5.845 -3.402 1.00 0.00 N ATOM 240 CA VAL A 21 -9.974 -4.530 -2.866 1.00 0.00 C ATOM 241 C VAL A 21 -10.883 -3.578 -3.628 1.00 0.00 C ATOM 242 O VAL A 21 -11.125 -3.768 -4.825 1.00 0.00 O ATOM 243 CB VAL A 21 -8.473 -4.230 -3.047 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.069 -2.809 -2.641 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.646 -5.217 -2.214 1.00 0.00 C ATOM 0 H VAL A 21 -9.831 -5.992 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.180 -4.434 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.276 -4.333 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.999 -2.676 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.617 -2.088 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.304 -2.651 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.585 -5.003 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.911 -5.116 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.854 -6.235 -2.544 1.00 0.00 H new ATOM 255 N ARG A 22 -11.373 -2.542 -2.961 1.00 0.00 N ATOM 256 CA ARG A 22 -12.082 -1.432 -3.585 1.00 0.00 C ATOM 257 C ARG A 22 -11.318 -0.175 -3.260 1.00 0.00 C ATOM 258 O ARG A 22 -10.689 -0.101 -2.210 1.00 0.00 O ATOM 259 CB ARG A 22 -13.523 -1.328 -3.068 1.00 0.00 C ATOM 260 CG ARG A 22 -14.210 -2.691 -3.135 1.00 0.00 C ATOM 261 CD ARG A 22 -15.705 -2.630 -2.869 1.00 0.00 C ATOM 262 NE ARG A 22 -16.381 -3.779 -3.492 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.814 -4.885 -2.882 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.644 -5.068 -1.580 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.372 -5.851 -3.592 1.00 0.00 N ATOM 0 H ARG A 22 -11.287 -2.447 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.142 -1.586 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.523 -0.963 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.079 -0.603 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.042 -3.126 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.747 -3.359 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.891 -2.629 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.114 -1.700 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.536 -3.725 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.174 -4.355 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.984 -5.921 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.470 -5.750 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.704 -6.697 -3.129 1.00 0.00 H new ATOM 279 N VAL A 23 -11.373 0.821 -4.126 1.00 0.00 N ATOM 280 CA VAL A 23 -10.790 2.111 -3.867 1.00 0.00 C ATOM 281 C VAL A 23 -11.693 3.127 -4.524 1.00 0.00 C ATOM 282 O VAL A 23 -11.920 3.060 -5.735 1.00 0.00 O ATOM 283 CB VAL A 23 -9.311 2.146 -4.291 1.00 0.00 C ATOM 284 CG1 VAL A 23 -8.851 1.014 -5.188 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.762 3.488 -4.776 1.00 0.00 C ATOM 0 H VAL A 23 -11.829 0.749 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.740 2.350 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.852 1.980 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.794 1.142 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.997 0.062 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.431 1.023 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.711 3.376 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.326 3.818 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.857 4.229 -3.982 1.00 0.00 H new ATOM 295 N ASN A 24 -12.247 4.029 -3.724 1.00 0.00 N ATOM 296 CA ASN A 24 -13.106 5.100 -4.197 1.00 0.00 C ATOM 297 C ASN A 24 -12.320 6.390 -4.071 1.00 0.00 C ATOM 298 O ASN A 24 -11.703 6.637 -3.038 1.00 0.00 O ATOM 299 CB ASN A 24 -14.443 5.115 -3.447 1.00 0.00 C ATOM 300 CG ASN A 24 -14.547 6.119 -2.309 1.00 0.00 C ATOM 301 OD1 ASN A 24 -14.555 5.651 -1.075 1.00 0.00 O flip ATOM 302 ND2 ASN A 24 -14.682 7.317 -2.545 1.00 0.00 N flip ATOM 0 H ASN A 24 -12.108 4.035 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.383 4.957 -5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.239 5.321 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.625 4.118 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.672 7.651 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.804 7.977 -1.777 1.00 0.00 H new ATOM 309 N VAL A 25 -12.277 7.180 -5.137 1.00 0.00 N ATOM 310 CA VAL A 25 -11.639 8.484 -5.080 1.00 0.00 C ATOM 311 C VAL A 25 -12.606 9.416 -4.356 1.00 0.00 C ATOM 312 O VAL A 25 -13.746 9.594 -4.783 1.00 0.00 O ATOM 313 CB VAL A 25 -11.206 8.961 -6.471 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.547 10.339 -6.369 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.188 7.966 -7.062 1.00 0.00 C ATOM 0 H VAL A 25 -12.675 6.940 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.704 8.455 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.085 9.023 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.242 10.671 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.257 11.052 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.672 10.277 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.880 8.305 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.316 7.908 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.647 6.981 -7.143 1.00 0.00 H new ATOM 325 N VAL A 26 -12.152 9.944 -3.228 1.00 0.00 N ATOM 326 CA VAL A 26 -12.892 10.834 -2.359 1.00 0.00 C ATOM 327 C VAL A 26 -12.708 12.261 -2.891 1.00 0.00 C ATOM 328 O VAL A 26 -13.694 12.953 -3.145 1.00 0.00 O ATOM 329 CB VAL A 26 -12.380 10.631 -0.915 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.026 11.633 0.047 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.596 9.181 -0.423 1.00 0.00 C ATOM 0 H VAL A 26 -11.212 9.751 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.963 10.629 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.306 10.814 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.647 11.466 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.784 12.648 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.108 11.499 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.222 9.083 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.660 8.945 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.059 8.492 -1.075 1.00 0.00 H new ATOM 341 N ASN A 27 -11.459 12.691 -3.097 1.00 0.00 N ATOM 342 CA ASN A 27 -11.089 14.035 -3.549 1.00 0.00 C ATOM 343 C ASN A 27 -10.003 13.935 -4.623 1.00 0.00 C ATOM 344 O ASN A 27 -9.466 12.860 -4.875 1.00 0.00 O ATOM 345 CB ASN A 27 -10.546 14.901 -2.398 1.00 0.00 C ATOM 346 CG ASN A 27 -11.416 15.025 -1.166 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.634 14.956 -1.224 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.790 15.243 -0.030 1.00 0.00 N ATOM 0 H ASN A 27 -10.648 12.090 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.991 14.503 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.582 14.494 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.361 15.903 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.323 15.359 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.772 15.296 -0.011 1.00 0.00 H new ATOM 355 N SER A 28 -9.583 15.071 -5.178 1.00 0.00 N ATOM 356 CA SER A 28 -8.498 15.179 -6.158 1.00 0.00 C ATOM 357 C SER A 28 -7.215 14.489 -5.693 1.00 0.00 C ATOM 358 O SER A 28 -6.515 13.896 -6.511 1.00 0.00 O ATOM 359 CB SER A 28 -8.183 16.656 -6.468 1.00 0.00 C ATOM 360 OG SER A 28 -8.555 17.506 -5.392 1.00 0.00 O ATOM 0 H SER A 28 -10.002 15.973 -4.952 1.00 0.00 H new ATOM 0 HA SER A 28 -8.851 14.674 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.117 16.767 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.711 16.960 -7.372 1.00 0.00 H new ATOM 0 HG SER A 28 -8.341 18.435 -5.620 1.00 0.00 H new ATOM 366 N THR A 29 -6.903 14.589 -4.400 1.00 0.00 N ATOM 367 CA THR A 29 -5.653 14.120 -3.816 1.00 0.00 C ATOM 368 C THR A 29 -5.881 12.950 -2.856 1.00 0.00 C ATOM 369 O THR A 29 -4.947 12.555 -2.159 1.00 0.00 O ATOM 370 CB THR A 29 -4.939 15.305 -3.137 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.698 15.825 -2.057 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.700 16.453 -4.121 1.00 0.00 C ATOM 0 H THR A 29 -7.531 15.010 -3.715 1.00 0.00 H new ATOM 0 HA THR A 29 -5.009 13.733 -4.606 1.00 0.00 H new ATOM 0 HB THR A 29 -3.989 14.913 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.215 16.574 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.195 17.272 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.079 16.102 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.656 16.803 -4.510 1.00 0.00 H new ATOM 380 N LEU A 30 -7.114 12.436 -2.764 1.00 0.00 N ATOM 381 CA LEU A 30 -7.536 11.509 -1.735 1.00 0.00 C ATOM 382 C LEU A 30 -8.383 10.398 -2.328 1.00 0.00 C ATOM 383 O LEU A 30 -9.436 10.676 -2.895 1.00 0.00 O ATOM 384 CB LEU A 30 -8.353 12.270 -0.689 1.00 0.00 C ATOM 385 CG LEU A 30 -8.763 11.407 0.510 1.00 0.00 C ATOM 386 CD1 LEU A 30 -7.522 10.909 1.247 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.651 12.268 1.411 1.00 0.00 C ATOM 0 H LEU A 30 -7.856 12.666 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.654 11.062 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.771 13.120 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.249 12.672 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.316 10.524 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.825 10.297 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.911 10.312 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.943 11.762 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.963 11.686 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.092 13.143 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.531 12.590 0.854 1.00 0.00 H new ATOM 399 N ALA A 31 -8.006 9.146 -2.103 1.00 0.00 N ATOM 400 CA ALA A 31 -8.917 8.021 -2.254 1.00 0.00 C ATOM 401 C ALA A 31 -9.060 7.314 -0.911 1.00 0.00 C ATOM 402 O ALA A 31 -8.170 7.417 -0.072 1.00 0.00 O ATOM 403 CB ALA A 31 -8.397 7.089 -3.349 1.00 0.00 C ATOM 0 H ALA A 31 -7.064 8.883 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.907 8.362 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.078 6.246 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.333 7.634 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.408 6.722 -3.075 1.00 0.00 H new ATOM 409 N GLU A 32 -10.145 6.580 -0.706 1.00 0.00 N ATOM 410 CA GLU A 32 -10.296 5.586 0.330 1.00 0.00 C ATOM 411 C GLU A 32 -10.034 4.227 -0.315 1.00 0.00 C ATOM 412 O GLU A 32 -10.315 4.055 -1.502 1.00 0.00 O ATOM 413 CB GLU A 32 -11.734 5.671 0.852 1.00 0.00 C ATOM 414 CG GLU A 32 -11.827 4.963 2.191 1.00 0.00 C ATOM 415 CD GLU A 32 -13.187 5.010 2.893 1.00 0.00 C ATOM 416 OE1 GLU A 32 -14.000 5.921 2.627 1.00 0.00 O ATOM 417 OE2 GLU A 32 -13.428 4.206 3.828 1.00 0.00 O ATOM 0 H GLU A 32 -10.978 6.671 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.607 5.738 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.033 6.714 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.419 5.214 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.554 3.918 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.083 5.396 2.859 1.00 0.00 H new ATOM 424 N VAL A 33 -9.536 3.252 0.441 1.00 0.00 N ATOM 425 CA VAL A 33 -9.282 1.892 0.004 1.00 0.00 C ATOM 426 C VAL A 33 -9.906 0.959 1.026 1.00 0.00 C ATOM 427 O VAL A 33 -9.798 1.207 2.222 1.00 0.00 O ATOM 428 CB VAL A 33 -7.775 1.654 -0.088 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.511 0.313 -0.781 1.00 0.00 C ATOM 430 CG2 VAL A 33 -7.137 2.786 -0.885 1.00 0.00 C ATOM 0 H VAL A 33 -9.289 3.401 1.419 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.713 1.712 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.343 1.629 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.436 0.143 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.971 -0.491 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.938 0.332 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.062 2.621 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.565 2.812 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.327 3.736 -0.385 1.00 0.00 H new ATOM 440 N HIS A 34 -10.522 -0.114 0.549 1.00 0.00 N ATOM 441 CA HIS A 34 -11.320 -1.070 1.288 1.00 0.00 C ATOM 442 C HIS A 34 -10.754 -2.436 0.917 1.00 0.00 C ATOM 443 O HIS A 34 -10.482 -2.677 -0.261 1.00 0.00 O ATOM 444 CB HIS A 34 -12.801 -0.970 0.864 1.00 0.00 C ATOM 445 CG HIS A 34 -13.425 0.419 0.892 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.004 1.535 0.215 1.00 0.00 N flip ATOM 447 CD2 HIS A 34 -14.575 0.775 1.560 1.00 0.00 C flip ATOM 448 CE1 HIS A 34 -13.894 2.578 0.473 1.00 0.00 C flip ATOM 449 NE2 HIS A 34 -14.830 2.069 1.286 1.00 0.00 N flip ATOM 0 H HIS A 34 -10.470 -0.353 -0.441 1.00 0.00 H new ATOM 0 HA HIS A 34 -11.281 -0.891 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.893 -1.365 -0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.386 -1.620 1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.168 0.131 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.840 3.588 0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -15.628 2.591 1.648 1.00 0.00 H new ATOM 457 N TRP A 35 -10.552 -3.323 1.882 1.00 0.00 N ATOM 458 CA TRP A 35 -10.089 -4.685 1.656 1.00 0.00 C ATOM 459 C TRP A 35 -10.832 -5.627 2.606 1.00 0.00 C ATOM 460 O TRP A 35 -11.815 -5.234 3.243 1.00 0.00 O ATOM 461 CB TRP A 35 -8.556 -4.743 1.778 1.00 0.00 C ATOM 462 CG TRP A 35 -7.975 -4.314 3.091 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.867 -5.082 4.200 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.454 -3.001 3.459 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.322 -4.330 5.221 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.027 -3.048 4.816 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.325 -1.764 2.792 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.493 -1.931 5.476 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.802 -0.633 3.445 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.381 -0.715 4.784 1.00 0.00 C ATOM 0 H TRP A 35 -10.709 -3.110 2.867 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.317 -5.019 0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.236 -5.766 1.581 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.127 -4.118 0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.161 -6.119 4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.157 -4.682 6.164 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.634 -1.684 1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.172 -2.006 6.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.723 0.304 2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.973 0.154 5.278 1.00 0.00 H new ATOM 481 N ASP A 36 -10.399 -6.885 2.666 1.00 0.00 N ATOM 482 CA ASP A 36 -11.124 -7.979 3.301 1.00 0.00 C ATOM 483 C ASP A 36 -10.291 -8.580 4.439 1.00 0.00 C ATOM 484 O ASP A 36 -9.075 -8.727 4.285 1.00 0.00 O ATOM 485 CB ASP A 36 -11.517 -8.980 2.218 1.00 0.00 C ATOM 486 CG ASP A 36 -11.978 -10.334 2.741 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.120 -10.399 3.245 1.00 0.00 O ATOM 488 OD2 ASP A 36 -11.231 -11.324 2.569 1.00 0.00 O ATOM 0 H ASP A 36 -9.509 -7.177 2.262 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.042 -7.630 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.315 -8.548 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.664 -9.132 1.556 1.00 0.00 H new ATOM 493 N PRO A 37 -10.891 -8.848 5.611 1.00 0.00 N ATOM 494 CA PRO A 37 -10.177 -9.281 6.794 1.00 0.00 C ATOM 495 C PRO A 37 -9.894 -10.776 6.732 1.00 0.00 C ATOM 496 O PRO A 37 -10.737 -11.612 7.081 1.00 0.00 O ATOM 497 CB PRO A 37 -11.062 -8.900 7.968 1.00 0.00 C ATOM 498 CG PRO A 37 -12.484 -8.929 7.406 1.00 0.00 C ATOM 499 CD PRO A 37 -12.310 -8.732 5.899 1.00 0.00 C ATOM 0 HA PRO A 37 -9.200 -8.807 6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.948 -9.602 8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.808 -7.912 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.978 -9.875 7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.098 -8.140 7.840 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.877 -9.480 5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.686 -7.756 5.593 1.00 0.00 H new ATOM 507 N VAL A 38 -8.693 -11.104 6.283 1.00 0.00 N ATOM 508 CA VAL A 38 -8.252 -12.485 6.121 1.00 0.00 C ATOM 509 C VAL A 38 -8.201 -13.195 7.485 1.00 0.00 C ATOM 510 O VAL A 38 -8.090 -12.534 8.522 1.00 0.00 O ATOM 511 CB VAL A 38 -6.926 -12.524 5.342 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.073 -11.817 3.998 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.757 -11.895 6.094 1.00 0.00 C ATOM 0 H VAL A 38 -7.989 -10.415 6.018 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.973 -13.044 5.524 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.701 -13.581 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.125 -11.855 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.844 -12.313 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.355 -10.777 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.856 -11.959 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.980 -10.849 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.599 -12.428 7.032 1.00 0.00 H new ATOM 523 N PRO A 39 -8.299 -14.531 7.521 1.00 0.00 N ATOM 524 CA PRO A 39 -8.378 -15.276 8.766 1.00 0.00 C ATOM 525 C PRO A 39 -7.001 -15.348 9.418 1.00 0.00 C ATOM 526 O PRO A 39 -5.985 -15.422 8.720 1.00 0.00 O ATOM 527 CB PRO A 39 -8.896 -16.659 8.373 1.00 0.00 C ATOM 528 CG PRO A 39 -8.480 -16.823 6.910 1.00 0.00 C ATOM 529 CD PRO A 39 -8.325 -15.409 6.368 1.00 0.00 C ATOM 0 HA PRO A 39 -9.037 -14.808 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.461 -17.438 8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.978 -16.725 8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.546 -17.379 6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.232 -17.378 6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.408 -15.314 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.151 -15.154 5.704 1.00 0.00 H new ATOM 537 N LEU A 40 -6.970 -15.411 10.750 1.00 0.00 N ATOM 538 CA LEU A 40 -5.745 -15.487 11.545 1.00 0.00 C ATOM 539 C LEU A 40 -4.919 -16.694 11.105 1.00 0.00 C ATOM 540 O LEU A 40 -3.703 -16.588 10.962 1.00 0.00 O ATOM 541 CB LEU A 40 -6.063 -15.590 13.048 1.00 0.00 C ATOM 542 CG LEU A 40 -6.532 -14.306 13.760 1.00 0.00 C ATOM 543 CD1 LEU A 40 -5.399 -13.288 13.917 1.00 0.00 C ATOM 544 CD2 LEU A 40 -7.734 -13.617 13.108 1.00 0.00 C ATOM 0 H LEU A 40 -7.817 -15.411 11.319 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.174 -14.573 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.834 -16.349 13.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.170 -15.952 13.558 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.855 -14.658 14.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.776 -12.400 14.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.594 -13.728 14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.020 -13.011 12.933 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.994 -12.724 13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.482 -13.336 12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.583 -14.300 13.098 1.00 0.00 H new ATOM 556 N LYS A 41 -5.574 -17.820 10.802 1.00 0.00 N ATOM 557 CA LYS A 41 -4.917 -19.017 10.323 1.00 0.00 C ATOM 558 C LYS A 41 -4.129 -18.798 9.035 1.00 0.00 C ATOM 559 O LYS A 41 -3.129 -19.481 8.818 1.00 0.00 O ATOM 560 CB LYS A 41 -6.011 -20.060 10.138 1.00 0.00 C ATOM 561 CG LYS A 41 -5.416 -21.445 9.939 1.00 0.00 C ATOM 562 CD LYS A 41 -6.553 -22.437 9.743 1.00 0.00 C ATOM 563 CE LYS A 41 -6.068 -23.880 9.925 1.00 0.00 C ATOM 564 NZ LYS A 41 -4.811 -24.180 9.209 1.00 0.00 N ATOM 0 H LYS A 41 -6.586 -17.916 10.887 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.169 -19.343 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.666 -20.064 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.627 -19.798 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.754 -21.452 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.813 -21.726 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.350 -22.226 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.977 -22.316 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.925 -24.074 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.845 -24.561 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.641 -25.206 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.885 -23.852 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.020 -23.693 9.677 1.00 0.00 H new ATOM 578 N SER A 42 -4.551 -17.869 8.172 1.00 0.00 N ATOM 579 CA SER A 42 -3.771 -17.533 6.992 1.00 0.00 C ATOM 580 C SER A 42 -2.516 -16.756 7.389 1.00 0.00 C ATOM 581 O SER A 42 -1.459 -16.992 6.810 1.00 0.00 O ATOM 582 CB SER A 42 -4.616 -16.789 5.954 1.00 0.00 C ATOM 583 OG SER A 42 -4.890 -15.445 6.318 1.00 0.00 O ATOM 0 H SER A 42 -5.420 -17.345 8.272 1.00 0.00 H new ATOM 0 HA SER A 42 -3.447 -18.458 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.097 -16.801 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.557 -17.320 5.813 1.00 0.00 H new ATOM 0 HG SER A 42 -5.284 -15.423 7.215 1.00 0.00 H new ATOM 589 N ILE A 43 -2.618 -15.866 8.387 1.00 0.00 N ATOM 590 CA ILE A 43 -1.495 -15.072 8.870 1.00 0.00 C ATOM 591 C ILE A 43 -0.427 -15.996 9.457 1.00 0.00 C ATOM 592 O ILE A 43 0.743 -15.623 9.423 1.00 0.00 O ATOM 593 CB ILE A 43 -1.916 -13.988 9.898 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.200 -13.239 9.479 1.00 0.00 C ATOM 595 CG2 ILE A 43 -0.758 -12.989 10.109 1.00 0.00 C ATOM 596 CD1 ILE A 43 -3.625 -12.165 10.488 1.00 0.00 C ATOM 0 H ILE A 43 -3.491 -15.681 8.881 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.085 -14.534 8.016 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.139 -14.498 10.835 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.041 -12.773 8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.010 -13.958 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.059 -12.230 10.831 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.117 -13.520 10.484 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.513 -12.510 9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.533 -11.675 10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.814 -12.630 11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.830 -11.426 10.590 1.00 0.00 H new ATOM 608 N ARG A 44 -0.812 -17.179 9.969 1.00 0.00 N ATOM 609 CA ARG A 44 0.077 -18.190 10.557 1.00 0.00 C ATOM 610 C ARG A 44 0.933 -17.652 11.706 1.00 0.00 C ATOM 611 O ARG A 44 1.889 -18.306 12.118 1.00 0.00 O ATOM 612 CB ARG A 44 0.941 -18.841 9.481 1.00 0.00 C ATOM 613 CG ARG A 44 0.074 -19.783 8.651 1.00 0.00 C ATOM 614 CD ARG A 44 0.908 -20.589 7.676 1.00 0.00 C ATOM 615 NE ARG A 44 1.823 -21.525 8.339 1.00 0.00 N ATOM 616 CZ ARG A 44 3.118 -21.341 8.599 1.00 0.00 C ATOM 617 NH1 ARG A 44 3.754 -20.251 8.191 1.00 0.00 N ATOM 618 NH2 ARG A 44 3.766 -22.260 9.298 1.00 0.00 N ATOM 0 H ARG A 44 -1.791 -17.466 9.984 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.568 -18.950 10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.386 -18.078 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.763 -19.391 9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.468 -20.458 9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.672 -19.206 8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.245 -21.146 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.485 -19.908 7.051 1.00 0.00 H new ATOM 0 HE ARG A 44 1.424 -22.416 8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.252 -19.534 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.745 -20.130 8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.274 -23.091 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.757 -22.137 9.507 1.00 0.00 H new ATOM 632 N GLY A 45 0.605 -16.476 12.232 1.00 0.00 N ATOM 633 CA GLY A 45 1.526 -15.708 13.031 1.00 0.00 C ATOM 634 C GLY A 45 0.893 -14.405 13.468 1.00 0.00 C ATOM 635 O GLY A 45 -0.290 -14.153 13.199 1.00 0.00 O ATOM 0 H GLY A 45 -0.308 -16.038 12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.825 -16.285 13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.431 -15.505 12.458 1.00 0.00 H new ATOM 639 N HIS A 46 1.661 -13.583 14.178 1.00 0.00 N ATOM 640 CA HIS A 46 1.146 -12.349 14.754 1.00 0.00 C ATOM 641 C HIS A 46 1.186 -11.217 13.732 1.00 0.00 C ATOM 642 O HIS A 46 2.257 -10.753 13.344 1.00 0.00 O ATOM 643 CB HIS A 46 1.882 -11.984 16.055 1.00 0.00 C ATOM 644 CG HIS A 46 0.901 -11.671 17.153 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.725 -12.407 18.302 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.056 -10.690 17.134 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.310 -11.883 18.971 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.832 -10.847 18.289 1.00 0.00 N ATOM 0 H HIS A 46 2.649 -13.753 14.368 1.00 0.00 H new ATOM 0 HA HIS A 46 0.102 -12.509 15.022 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.524 -12.811 16.359 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.529 -11.124 15.883 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.187 -9.937 16.371 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.674 -12.241 19.923 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.638 -10.284 18.561 1.00 0.00 H new ATOM 656 N LEU A 47 0.000 -10.783 13.303 1.00 0.00 N ATOM 657 CA LEU A 47 -0.266 -9.577 12.525 1.00 0.00 C ATOM 658 C LEU A 47 0.513 -8.389 13.099 1.00 0.00 C ATOM 659 O LEU A 47 0.460 -8.152 14.309 1.00 0.00 O ATOM 660 CB LEU A 47 -1.785 -9.340 12.600 1.00 0.00 C ATOM 661 CG LEU A 47 -2.307 -7.958 12.171 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.041 -7.638 10.698 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.819 -7.917 12.400 1.00 0.00 C ATOM 0 H LEU A 47 -0.856 -11.301 13.504 1.00 0.00 H new ATOM 0 HA LEU A 47 0.055 -9.689 11.489 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.274 -10.092 11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.103 -9.516 13.627 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.775 -7.217 12.768 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.435 -6.649 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.967 -7.655 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.531 -8.382 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.206 -6.943 12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.298 -8.696 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.032 -8.083 13.456 1.00 0.00 H new ATOM 675 N GLN A 48 1.200 -7.634 12.236 1.00 0.00 N ATOM 676 CA GLN A 48 1.949 -6.421 12.588 1.00 0.00 C ATOM 677 C GLN A 48 1.399 -5.168 11.894 1.00 0.00 C ATOM 678 O GLN A 48 1.778 -4.048 12.246 1.00 0.00 O ATOM 679 CB GLN A 48 3.423 -6.607 12.214 1.00 0.00 C ATOM 680 CG GLN A 48 4.201 -7.602 13.085 1.00 0.00 C ATOM 681 CD GLN A 48 4.530 -7.138 14.504 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.856 -6.292 15.091 1.00 0.00 O ATOM 683 NE2 GLN A 48 5.527 -7.745 15.118 1.00 0.00 N ATOM 0 H GLN A 48 1.253 -7.856 11.242 1.00 0.00 H new ATOM 0 HA GLN A 48 1.842 -6.271 13.662 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.478 -6.937 11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.919 -5.638 12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.624 -8.525 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.135 -7.845 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.080 -8.445 14.623 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.745 -7.515 16.087 1.00 0.00 H new ATOM 692 N GLY A 49 0.521 -5.341 10.908 1.00 0.00 N ATOM 693 CA GLY A 49 -0.237 -4.287 10.259 1.00 0.00 C ATOM 694 C GLY A 49 -0.546 -4.664 8.815 1.00 0.00 C ATOM 695 O GLY A 49 -0.340 -5.817 8.417 1.00 0.00 O ATOM 0 H GLY A 49 0.313 -6.264 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.166 -4.112 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.328 -3.355 10.285 1.00 0.00 H new ATOM 699 N TYR A 50 -1.076 -3.708 8.052 1.00 0.00 N ATOM 700 CA TYR A 50 -1.293 -3.866 6.605 1.00 0.00 C ATOM 701 C TYR A 50 -0.401 -2.883 5.835 1.00 0.00 C ATOM 702 O TYR A 50 0.058 -1.881 6.391 1.00 0.00 O ATOM 703 CB TYR A 50 -2.773 -3.657 6.247 1.00 0.00 C ATOM 704 CG TYR A 50 -3.682 -4.849 6.483 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.873 -5.789 5.450 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.384 -4.994 7.696 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.736 -6.882 5.642 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.268 -6.071 7.877 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.437 -7.027 6.855 1.00 0.00 C ATOM 710 OH TYR A 50 -6.282 -8.084 7.030 1.00 0.00 O ATOM 0 H TYR A 50 -1.369 -2.801 8.415 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.024 -4.883 6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.152 -2.814 6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.837 -3.377 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.356 -5.669 4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.242 -4.275 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.862 -7.613 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.819 -6.167 8.801 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.685 -8.036 7.922 1.00 0.00 H new ATOM 720 N ARG A 51 -0.142 -3.142 4.551 1.00 0.00 N ATOM 721 CA ARG A 51 0.648 -2.279 3.664 1.00 0.00 C ATOM 722 C ARG A 51 -0.174 -2.007 2.417 1.00 0.00 C ATOM 723 O ARG A 51 -0.904 -2.891 1.968 1.00 0.00 O ATOM 724 CB ARG A 51 1.948 -3.045 3.349 1.00 0.00 C ATOM 725 CG ARG A 51 2.984 -2.439 2.388 1.00 0.00 C ATOM 726 CD ARG A 51 3.902 -1.370 3.002 1.00 0.00 C ATOM 727 NE ARG A 51 4.463 -1.755 4.304 1.00 0.00 N ATOM 728 CZ ARG A 51 5.315 -2.743 4.584 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.111 -3.281 3.661 1.00 0.00 N ATOM 730 NH2 ARG A 51 5.318 -3.233 5.811 1.00 0.00 N ATOM 0 H ARG A 51 -0.485 -3.982 4.085 1.00 0.00 H new ATOM 0 HA ARG A 51 0.899 -1.317 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.454 -3.229 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.662 -4.017 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.604 -3.244 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.457 -1.999 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.719 -1.164 2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.340 -0.443 3.117 1.00 0.00 H new ATOM 0 HE ARG A 51 4.161 -1.192 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.082 -2.939 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.749 -4.035 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.681 -2.856 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.957 -3.989 6.057 1.00 0.00 H new ATOM 744 N ILE A 52 -0.009 -0.821 1.833 1.00 0.00 N ATOM 745 CA ILE A 52 -0.416 -0.520 0.471 1.00 0.00 C ATOM 746 C ILE A 52 0.864 -0.108 -0.267 1.00 0.00 C ATOM 747 O ILE A 52 1.553 0.816 0.169 1.00 0.00 O ATOM 748 CB ILE A 52 -1.532 0.556 0.425 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.796 0.134 1.217 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.916 0.837 -1.040 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.073 0.982 1.005 1.00 0.00 C ATOM 0 H ILE A 52 0.422 -0.028 2.309 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.868 -1.384 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.136 1.455 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.029 -0.899 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.551 0.150 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.700 1.593 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.042 1.198 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.278 -0.081 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.882 0.581 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.877 2.014 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.361 0.949 -0.046 1.00 0.00 H new ATOM 763 N TYR A 53 1.184 -0.774 -1.377 1.00 0.00 N ATOM 764 CA TYR A 53 2.104 -0.279 -2.398 1.00 0.00 C ATOM 765 C TYR A 53 1.264 0.339 -3.493 1.00 0.00 C ATOM 766 O TYR A 53 0.174 -0.159 -3.755 1.00 0.00 O ATOM 767 CB TYR A 53 2.955 -1.409 -2.994 1.00 0.00 C ATOM 768 CG TYR A 53 4.237 -1.668 -2.238 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.208 -2.420 -1.051 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.459 -1.151 -2.714 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.391 -2.642 -0.333 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.648 -1.375 -1.998 1.00 0.00 C ATOM 773 CZ TYR A 53 6.612 -2.110 -0.791 1.00 0.00 C ATOM 774 OH TYR A 53 7.737 -2.338 -0.060 1.00 0.00 O ATOM 0 H TYR A 53 0.801 -1.694 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 53 2.787 0.443 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.364 -2.325 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.197 -1.163 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.274 -2.827 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.482 -0.581 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.366 -3.224 0.576 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.585 -0.987 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 53 8.503 -1.912 -0.498 1.00 0.00 H new ATOM 784 N TYR A 54 1.742 1.399 -4.136 1.00 0.00 N ATOM 785 CA TYR A 54 1.076 2.070 -5.242 1.00 0.00 C ATOM 786 C TYR A 54 2.105 2.803 -6.086 1.00 0.00 C ATOM 787 O TYR A 54 3.245 2.991 -5.659 1.00 0.00 O ATOM 788 CB TYR A 54 -0.021 3.005 -4.705 1.00 0.00 C ATOM 789 CG TYR A 54 0.470 4.041 -3.726 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.650 3.639 -2.397 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.717 5.370 -4.108 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.124 4.550 -1.445 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.194 6.294 -3.156 1.00 0.00 C ATOM 794 CZ TYR A 54 1.451 5.868 -1.831 1.00 0.00 C ATOM 795 OH TYR A 54 2.033 6.701 -0.925 1.00 0.00 O ATOM 0 H TYR A 54 2.635 1.828 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 54 0.586 1.339 -5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.493 3.512 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.791 2.403 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.423 2.624 -2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.542 5.683 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.239 4.244 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.363 7.323 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 54 2.470 6.171 -0.226 1.00 0.00 H new ATOM 805 N TRP A 55 1.743 3.139 -7.318 1.00 0.00 N ATOM 806 CA TRP A 55 2.600 3.871 -8.230 1.00 0.00 C ATOM 807 C TRP A 55 1.752 4.732 -9.161 1.00 0.00 C ATOM 808 O TRP A 55 0.572 4.435 -9.383 1.00 0.00 O ATOM 809 CB TRP A 55 3.503 2.881 -8.971 1.00 0.00 C ATOM 810 CG TRP A 55 2.851 1.758 -9.722 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.471 1.790 -11.019 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.459 0.442 -9.225 1.00 0.00 C ATOM 813 NE1 TRP A 55 1.937 0.569 -11.376 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.890 -0.295 -10.305 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.501 -0.199 -7.967 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.383 -1.591 -10.146 1.00 0.00 C ATOM 817 CZ3 TRP A 55 1.952 -1.483 -7.784 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.390 -2.175 -8.871 1.00 0.00 C ATOM 0 H TRP A 55 0.832 2.905 -7.713 1.00 0.00 H new ATOM 0 HA TRP A 55 3.251 4.556 -7.687 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.110 3.447 -9.678 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.186 2.443 -8.243 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.570 2.642 -11.676 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.617 0.336 -12.316 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.962 0.305 -7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.992 -2.133 -10.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.963 -1.938 -6.805 1.00 0.00 H new ATOM 0 HH2 TRP A 55 0.964 -3.156 -8.724 1.00 0.00 H new ATOM 829 N LYS A 56 2.359 5.785 -9.719 1.00 0.00 N ATOM 830 CA LYS A 56 1.755 6.612 -10.754 1.00 0.00 C ATOM 831 C LYS A 56 1.672 5.738 -12.005 1.00 0.00 C ATOM 832 O LYS A 56 2.611 4.979 -12.269 1.00 0.00 O ATOM 833 CB LYS A 56 2.658 7.850 -10.972 1.00 0.00 C ATOM 834 CG LYS A 56 2.017 8.990 -11.783 1.00 0.00 C ATOM 835 CD LYS A 56 1.109 9.867 -10.920 1.00 0.00 C ATOM 836 CE LYS A 56 0.103 10.762 -11.656 1.00 0.00 C ATOM 837 NZ LYS A 56 0.578 12.070 -12.165 1.00 0.00 N ATOM 0 H LYS A 56 3.297 6.086 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 56 0.760 6.971 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.955 8.240 -9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.569 7.531 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.801 9.605 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.439 8.569 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.553 9.217 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.741 10.505 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.290 10.197 -12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.733 10.950 -10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.238 12.685 -12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.189 12.519 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.117 11.926 -13.042 1.00 0.00 H new ATOM 851 N THR A 57 0.580 5.835 -12.752 1.00 0.00 N ATOM 852 CA THR A 57 0.332 4.994 -13.907 1.00 0.00 C ATOM 853 C THR A 57 -0.068 5.915 -15.052 1.00 0.00 C ATOM 854 O THR A 57 -0.913 6.791 -14.863 1.00 0.00 O ATOM 855 CB THR A 57 -0.753 3.971 -13.536 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.305 3.190 -12.444 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.088 3.029 -14.689 1.00 0.00 C ATOM 0 H THR A 57 -0.164 6.508 -12.568 1.00 0.00 H new ATOM 0 HA THR A 57 1.207 4.425 -14.221 1.00 0.00 H new ATOM 0 HB THR A 57 -1.652 4.534 -13.284 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.662 3.048 -12.518 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.860 2.327 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.450 3.608 -15.539 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.194 2.478 -14.980 1.00 0.00 H new ATOM 865 N GLN A 58 0.544 5.748 -16.227 1.00 0.00 N ATOM 866 CA GLN A 58 0.225 6.568 -17.392 1.00 0.00 C ATOM 867 C GLN A 58 0.769 6.026 -18.720 1.00 0.00 C ATOM 868 O GLN A 58 0.443 6.590 -19.762 1.00 0.00 O ATOM 869 CB GLN A 58 0.747 8.009 -17.196 1.00 0.00 C ATOM 870 CG GLN A 58 2.260 8.124 -16.959 1.00 0.00 C ATOM 871 CD GLN A 58 2.649 8.089 -15.487 1.00 0.00 C ATOM 872 OE1 GLN A 58 2.748 9.242 -14.850 1.00 0.00 O flip ATOM 873 NE2 GLN A 58 2.904 7.039 -14.917 1.00 0.00 N flip ATOM 0 H GLN A 58 1.267 5.048 -16.394 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.863 6.547 -17.463 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.487 8.597 -18.076 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.227 8.456 -16.349 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.764 7.310 -17.479 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.619 9.054 -17.399 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.824 6.154 -15.418 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.197 7.047 -13.940 1.00 0.00 H new ATOM 882 N SER A 59 1.640 5.010 -18.726 1.00 0.00 N ATOM 883 CA SER A 59 2.539 4.647 -19.827 1.00 0.00 C ATOM 884 C SER A 59 3.540 5.762 -20.198 1.00 0.00 C ATOM 885 O SER A 59 4.749 5.527 -20.133 1.00 0.00 O ATOM 886 CB SER A 59 1.775 4.141 -21.064 1.00 0.00 C ATOM 887 OG SER A 59 0.900 3.063 -20.775 1.00 0.00 O ATOM 0 H SER A 59 1.742 4.388 -17.924 1.00 0.00 H new ATOM 0 HA SER A 59 3.135 3.817 -19.447 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.200 4.963 -21.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.492 3.826 -21.823 1.00 0.00 H new ATOM 0 HG SER A 59 0.442 2.785 -21.595 1.00 0.00 H new ATOM 893 N SER A 60 3.070 6.948 -20.605 1.00 0.00 N ATOM 894 CA SER A 60 3.836 8.097 -21.096 1.00 0.00 C ATOM 895 C SER A 60 4.939 7.699 -22.082 1.00 0.00 C ATOM 896 O SER A 60 6.088 8.149 -21.982 1.00 0.00 O ATOM 897 CB SER A 60 4.324 8.971 -19.928 1.00 0.00 C ATOM 898 OG SER A 60 3.954 10.324 -20.142 1.00 0.00 O ATOM 0 H SER A 60 2.069 7.142 -20.598 1.00 0.00 H new ATOM 0 HA SER A 60 3.163 8.719 -21.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.895 8.613 -18.992 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.407 8.893 -19.833 1.00 0.00 H new ATOM 0 HG SER A 60 4.268 10.871 -19.392 1.00 0.00 H new ATOM 904 N SER A 61 4.582 6.863 -23.059 1.00 0.00 N ATOM 905 CA SER A 61 5.471 6.496 -24.146 1.00 0.00 C ATOM 906 C SER A 61 5.955 7.777 -24.838 1.00 0.00 C ATOM 907 O SER A 61 5.157 8.671 -25.137 1.00 0.00 O ATOM 908 CB SER A 61 4.732 5.545 -25.096 1.00 0.00 C ATOM 909 OG SER A 61 5.648 4.928 -25.972 1.00 0.00 O ATOM 0 H SER A 61 3.663 6.424 -23.112 1.00 0.00 H new ATOM 0 HA SER A 61 6.352 5.967 -23.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.198 4.787 -24.522 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.985 6.097 -25.667 1.00 0.00 H new ATOM 0 HG SER A 61 5.168 4.321 -26.574 1.00 0.00 H new ATOM 915 N LYS A 62 7.265 7.899 -25.056 1.00 0.00 N ATOM 916 CA LYS A 62 7.933 8.975 -25.789 1.00 0.00 C ATOM 917 C LYS A 62 9.364 8.504 -26.028 1.00 0.00 C ATOM 918 O LYS A 62 9.790 7.550 -25.378 1.00 0.00 O ATOM 919 CB LYS A 62 7.909 10.270 -24.956 1.00 0.00 C ATOM 920 CG LYS A 62 7.617 11.492 -25.835 1.00 0.00 C ATOM 921 CD LYS A 62 7.363 12.710 -24.947 1.00 0.00 C ATOM 922 CE LYS A 62 7.004 13.932 -25.785 1.00 0.00 C ATOM 923 NZ LYS A 62 6.824 15.122 -24.935 1.00 0.00 N ATOM 0 H LYS A 62 7.928 7.208 -24.704 1.00 0.00 H new ATOM 0 HA LYS A 62 7.435 9.192 -26.734 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.151 10.190 -24.177 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.868 10.401 -24.455 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.458 11.683 -26.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.749 11.301 -26.465 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.555 12.493 -24.249 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.251 12.921 -24.351 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.790 14.119 -26.517 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.088 13.738 -26.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.580 15.940 -25.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.058 14.949 -24.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.707 15.318 -24.421 1.00 0.00 H new ATOM 937 N ARG A 63 10.154 9.142 -26.900 1.00 0.00 N ATOM 938 CA ARG A 63 11.451 8.545 -27.240 1.00 0.00 C ATOM 939 C ARG A 63 12.386 8.392 -26.039 1.00 0.00 C ATOM 940 O ARG A 63 13.181 7.456 -26.028 1.00 0.00 O ATOM 941 CB ARG A 63 12.141 9.274 -28.400 1.00 0.00 C ATOM 942 CG ARG A 63 13.230 8.360 -28.984 1.00 0.00 C ATOM 943 CD ARG A 63 13.715 8.757 -30.378 1.00 0.00 C ATOM 944 NE ARG A 63 14.588 7.688 -30.884 1.00 0.00 N ATOM 945 CZ ARG A 63 14.812 7.349 -32.153 1.00 0.00 C ATOM 946 NH1 ARG A 63 14.392 8.120 -33.145 1.00 0.00 N ATOM 947 NH2 ARG A 63 15.462 6.215 -32.397 1.00 0.00 N ATOM 0 H ARG A 63 9.936 10.025 -27.362 1.00 0.00 H new ATOM 0 HA ARG A 63 11.222 7.534 -27.577 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.413 9.532 -29.169 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.580 10.208 -28.050 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.083 8.354 -28.305 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.847 7.340 -29.024 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.867 8.904 -31.047 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.256 9.702 -30.337 1.00 0.00 H new ATOM 0 HE ARG A 63 15.081 7.140 -30.179 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.891 8.985 -32.942 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.570 7.849 -34.112 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.775 5.630 -31.622 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.648 5.930 -33.359 1.00 0.00 H new ATOM 961 N ASN A 64 12.274 9.235 -25.013 1.00 0.00 N ATOM 962 CA ASN A 64 13.025 9.093 -23.763 1.00 0.00 C ATOM 963 C ASN A 64 12.094 9.294 -22.559 1.00 0.00 C ATOM 964 O ASN A 64 11.024 9.887 -22.715 1.00 0.00 O ATOM 965 CB ASN A 64 14.201 10.089 -23.771 1.00 0.00 C ATOM 966 CG ASN A 64 15.007 10.048 -22.477 1.00 0.00 C ATOM 967 OD1 ASN A 64 15.250 8.986 -21.911 1.00 0.00 O ATOM 968 ND2 ASN A 64 15.379 11.193 -21.939 1.00 0.00 N ATOM 0 H ASN A 64 11.653 10.044 -25.025 1.00 0.00 H new ATOM 0 HA ASN A 64 13.435 8.087 -23.678 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.857 9.865 -24.612 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.818 11.098 -23.925 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.872 11.201 -21.046 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.173 12.071 -22.416 1.00 0.00 H new ATOM 975 N ARG A 65 12.529 8.846 -21.370 1.00 0.00 N ATOM 976 CA ARG A 65 12.051 9.134 -20.009 1.00 0.00 C ATOM 977 C ARG A 65 11.133 7.997 -19.563 1.00 0.00 C ATOM 978 O ARG A 65 9.921 8.034 -19.796 1.00 0.00 O ATOM 979 CB ARG A 65 11.434 10.545 -19.898 1.00 0.00 C ATOM 980 CG ARG A 65 11.254 11.085 -18.474 1.00 0.00 C ATOM 981 CD ARG A 65 10.836 12.561 -18.556 1.00 0.00 C ATOM 982 NE ARG A 65 10.291 13.052 -17.284 1.00 0.00 N ATOM 983 CZ ARG A 65 10.955 13.625 -16.273 1.00 0.00 C ATOM 984 NH1 ARG A 65 12.251 13.912 -16.339 1.00 0.00 N ATOM 985 NH2 ARG A 65 10.298 13.937 -15.169 1.00 0.00 N ATOM 0 H ARG A 65 13.316 8.198 -21.337 1.00 0.00 H new ATOM 0 HA ARG A 65 12.889 9.166 -19.313 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.063 11.241 -20.453 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.460 10.535 -20.388 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.497 10.507 -17.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.183 10.986 -17.912 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.697 13.166 -18.839 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.090 12.683 -19.341 1.00 0.00 H new ATOM 0 HE ARG A 65 9.285 12.943 -17.155 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.779 13.695 -17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.718 14.349 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.300 13.741 -15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.789 14.374 -14.389 1.00 0.00 H new ATOM 999 N ARG A 66 11.702 6.946 -18.974 1.00 0.00 N ATOM 1000 CA ARG A 66 11.021 5.709 -18.590 1.00 0.00 C ATOM 1001 C ARG A 66 11.465 5.348 -17.178 1.00 0.00 C ATOM 1002 O ARG A 66 12.441 4.604 -17.008 1.00 0.00 O ATOM 1003 CB ARG A 66 11.355 4.591 -19.597 1.00 0.00 C ATOM 1004 CG ARG A 66 10.348 4.430 -20.736 1.00 0.00 C ATOM 1005 CD ARG A 66 9.135 3.616 -20.279 1.00 0.00 C ATOM 1006 NE ARG A 66 8.485 2.915 -21.394 1.00 0.00 N ATOM 1007 CZ ARG A 66 7.809 1.765 -21.298 1.00 0.00 C ATOM 1008 NH1 ARG A 66 7.686 1.124 -20.138 1.00 0.00 N ATOM 1009 NH2 ARG A 66 7.241 1.269 -22.385 1.00 0.00 N ATOM 0 H ARG A 66 12.695 6.932 -18.741 1.00 0.00 H new ATOM 0 HA ARG A 66 9.939 5.839 -18.602 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.338 4.789 -20.025 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.427 3.646 -19.058 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.023 5.411 -21.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.825 3.936 -21.582 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.449 2.890 -19.529 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.415 4.279 -19.799 1.00 0.00 H new ATOM 0 HE ARG A 66 8.555 3.341 -22.318 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.113 1.509 -19.295 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.165 0.248 -20.092 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.323 1.762 -23.274 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.721 0.393 -22.334 1.00 0.00 H new ATOM 1023 N HIS A 67 10.775 5.902 -16.183 1.00 0.00 N ATOM 1024 CA HIS A 67 10.912 5.576 -14.775 1.00 0.00 C ATOM 1025 C HIS A 67 9.562 5.820 -14.109 1.00 0.00 C ATOM 1026 O HIS A 67 9.070 6.948 -14.126 1.00 0.00 O ATOM 1027 CB HIS A 67 11.984 6.464 -14.131 1.00 0.00 C ATOM 1028 CG HIS A 67 13.375 5.936 -14.317 1.00 0.00 C ATOM 1029 ND1 HIS A 67 14.305 6.395 -15.218 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.924 4.892 -13.626 1.00 0.00 C ATOM 1031 CE1 HIS A 67 15.395 5.618 -15.090 1.00 0.00 C ATOM 1032 NE2 HIS A 67 15.219 4.706 -14.116 1.00 0.00 N ATOM 0 H HIS A 67 10.074 6.624 -16.350 1.00 0.00 H new ATOM 0 HA HIS A 67 11.215 4.536 -14.653 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.922 7.465 -14.557 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.777 6.558 -13.065 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.446 4.318 -12.846 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.290 5.713 -15.687 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.898 4.015 -13.798 1.00 0.00 H new ATOM 1040 N ILE A 68 8.970 4.792 -13.507 1.00 0.00 N ATOM 1041 CA ILE A 68 7.775 4.889 -12.676 1.00 0.00 C ATOM 1042 C ILE A 68 8.260 4.903 -11.228 1.00 0.00 C ATOM 1043 O ILE A 68 8.977 3.990 -10.807 1.00 0.00 O ATOM 1044 CB ILE A 68 6.855 3.682 -12.950 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.341 3.667 -14.408 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.669 3.644 -11.976 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.039 2.248 -14.907 1.00 0.00 C ATOM 0 H ILE A 68 9.321 3.838 -13.587 1.00 0.00 H new ATOM 0 HA ILE A 68 7.197 5.788 -12.891 1.00 0.00 H new ATOM 0 HB ILE A 68 7.461 2.790 -12.794 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.438 4.274 -14.478 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.086 4.127 -15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.043 2.780 -12.199 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.040 3.569 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.081 4.556 -12.083 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.681 2.292 -15.936 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.947 1.646 -14.864 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.274 1.796 -14.276 1.00 0.00 H new ATOM 1059 N GLU A 69 7.879 5.917 -10.462 1.00 0.00 N ATOM 1060 CA GLU A 69 8.122 6.002 -9.040 1.00 0.00 C ATOM 1061 C GLU A 69 7.057 5.188 -8.306 1.00 0.00 C ATOM 1062 O GLU A 69 5.872 5.524 -8.394 1.00 0.00 O ATOM 1063 CB GLU A 69 8.141 7.474 -8.619 1.00 0.00 C ATOM 1064 CG GLU A 69 8.331 7.549 -7.106 1.00 0.00 C ATOM 1065 CD GLU A 69 8.794 8.923 -6.630 1.00 0.00 C ATOM 1066 OE1 GLU A 69 10.022 9.165 -6.646 1.00 0.00 O ATOM 1067 OE2 GLU A 69 7.931 9.735 -6.218 1.00 0.00 O ATOM 0 H GLU A 69 7.377 6.725 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 69 9.093 5.581 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.948 8.002 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.210 7.961 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.391 7.298 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.061 6.800 -6.800 1.00 0.00 H new ATOM 1074 N LYS A 70 7.476 4.128 -7.608 1.00 0.00 N ATOM 1075 CA LYS A 70 6.616 3.321 -6.746 1.00 0.00 C ATOM 1076 C LYS A 70 6.797 3.767 -5.301 1.00 0.00 C ATOM 1077 O LYS A 70 7.911 4.096 -4.879 1.00 0.00 O ATOM 1078 CB LYS A 70 6.937 1.823 -6.866 1.00 0.00 C ATOM 1079 CG LYS A 70 6.988 1.305 -8.311 1.00 0.00 C ATOM 1080 CD LYS A 70 7.192 -0.212 -8.332 1.00 0.00 C ATOM 1081 CE LYS A 70 7.602 -0.633 -9.747 1.00 0.00 C ATOM 1082 NZ LYS A 70 8.372 -1.887 -9.756 1.00 0.00 N ATOM 0 H LYS A 70 8.443 3.803 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 70 5.583 3.467 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.897 1.629 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.186 1.257 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.063 1.560 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.799 1.794 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.960 -0.500 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.274 -0.721 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.709 -0.753 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.197 0.159 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.627 -2.131 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.238 -1.767 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.796 -2.651 -9.347 1.00 0.00 H new ATOM 1096 N LYS A 71 5.699 3.766 -4.556 1.00 0.00 N ATOM 1097 CA LYS A 71 5.496 4.413 -3.288 1.00 0.00 C ATOM 1098 C LYS A 71 4.742 3.497 -2.321 1.00 0.00 C ATOM 1099 O LYS A 71 4.175 2.485 -2.747 1.00 0.00 O ATOM 1100 CB LYS A 71 4.691 5.666 -3.623 1.00 0.00 C ATOM 1101 CG LYS A 71 5.048 6.708 -2.590 1.00 0.00 C ATOM 1102 CD LYS A 71 4.578 8.078 -3.035 1.00 0.00 C ATOM 1103 CE LYS A 71 4.696 9.041 -1.855 1.00 0.00 C ATOM 1104 NZ LYS A 71 4.016 10.321 -2.110 1.00 0.00 N ATOM 0 H LYS A 71 4.863 3.267 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 71 6.433 4.656 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.928 6.020 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.622 5.454 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.591 6.453 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.127 6.720 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.180 8.431 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.546 8.030 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.270 8.577 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.749 9.227 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.123 10.942 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.438 10.779 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.005 10.148 -2.285 1.00 0.00 H new ATOM 1118 N ILE A 72 4.731 3.838 -1.030 1.00 0.00 N ATOM 1119 CA ILE A 72 4.211 2.999 0.045 1.00 0.00 C ATOM 1120 C ILE A 72 3.274 3.810 0.950 1.00 0.00 C ATOM 1121 O ILE A 72 3.281 5.050 0.978 1.00 0.00 O ATOM 1122 CB ILE A 72 5.400 2.348 0.806 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.179 1.382 -0.122 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.952 1.554 2.045 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.540 1.936 -0.537 1.00 0.00 C ATOM 0 H ILE A 72 5.095 4.731 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 72 3.606 2.188 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 72 6.034 3.173 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.319 0.429 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.585 1.183 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.824 1.122 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.438 2.220 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.275 0.756 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.042 1.219 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.403 2.876 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.148 2.110 0.351 1.00 0.00 H new ATOM 1137 N LEU A 73 2.411 3.084 1.662 1.00 0.00 N ATOM 1138 CA LEU A 73 1.607 3.526 2.785 1.00 0.00 C ATOM 1139 C LEU A 73 1.558 2.392 3.806 1.00 0.00 C ATOM 1140 O LEU A 73 1.295 1.238 3.455 1.00 0.00 O ATOM 1141 CB LEU A 73 0.189 3.899 2.316 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.071 5.410 2.453 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.722 6.027 1.228 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.051 5.681 3.567 1.00 0.00 C ATOM 0 H LEU A 73 2.249 2.100 1.447 1.00 0.00 H new ATOM 0 HA LEU A 73 2.047 4.415 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.058 3.599 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.546 3.348 2.902 1.00 0.00 H new ATOM 0 HG LEU A 73 0.916 5.839 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.875 7.093 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.076 5.885 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.683 5.546 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.222 6.754 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.994 5.179 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.646 5.306 4.507 1.00 0.00 H new ATOM 1156 N THR A 74 1.829 2.728 5.061 1.00 0.00 N ATOM 1157 CA THR A 74 1.680 1.855 6.217 1.00 0.00 C ATOM 1158 C THR A 74 0.235 1.968 6.719 1.00 0.00 C ATOM 1159 O THR A 74 -0.320 3.072 6.709 1.00 0.00 O ATOM 1160 CB THR A 74 2.653 2.357 7.300 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.955 2.548 6.762 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.735 1.434 8.517 1.00 0.00 C ATOM 0 H THR A 74 2.173 3.655 5.311 1.00 0.00 H new ATOM 0 HA THR A 74 1.896 0.815 5.971 1.00 0.00 H new ATOM 0 HB THR A 74 2.249 3.309 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.556 2.869 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.438 1.847 9.240 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.750 1.349 8.976 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.076 0.447 8.203 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.343 0.878 7.232 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.591 0.888 7.988 1.00 0.00 C ATOM 1172 C PHE A 75 -1.506 -0.075 9.161 1.00 0.00 C ATOM 1173 O PHE A 75 -0.679 -0.994 9.177 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.765 0.499 7.084 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.145 1.615 6.147 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.804 2.753 6.650 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.741 1.564 4.803 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -4.080 3.836 5.804 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.018 2.647 3.957 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.691 3.770 4.459 1.00 0.00 C ATOM 0 H PHE A 75 0.056 -0.055 7.129 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.754 1.897 8.368 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.500 -0.386 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.624 0.233 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.097 2.792 7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.221 0.697 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.586 4.711 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.714 2.616 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.913 4.596 3.800 1.00 0.00 H new ATOM 1190 N GLN A 76 -2.390 0.110 10.138 1.00 0.00 N ATOM 1191 CA GLN A 76 -2.467 -0.774 11.281 1.00 0.00 C ATOM 1192 C GLN A 76 -3.175 -2.076 10.951 1.00 0.00 C ATOM 1193 O GLN A 76 -3.730 -2.275 9.871 1.00 0.00 O ATOM 1194 CB GLN A 76 -3.181 -0.056 12.441 1.00 0.00 C ATOM 1195 CG GLN A 76 -2.321 1.001 13.135 1.00 0.00 C ATOM 1196 CD GLN A 76 -1.415 0.376 14.189 1.00 0.00 C ATOM 1197 OE1 GLN A 76 -0.346 -0.283 13.779 1.00 0.00 O flip ATOM 1198 NE2 GLN A 76 -1.707 0.454 15.376 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.066 0.874 10.153 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.449 -1.029 11.576 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.086 0.418 12.061 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.494 -0.797 13.177 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.714 1.522 12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.965 1.747 13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.539 0.970 15.664 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.118 0.003 16.077 1.00 0.00 H new ATOM 1207 N GLY A 77 -3.106 -2.986 11.916 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.621 -4.331 11.780 1.00 0.00 C ATOM 1209 C GLY A 77 -5.131 -4.378 11.953 1.00 0.00 C ATOM 1210 O GLY A 77 -5.711 -3.585 12.690 1.00 0.00 O ATOM 0 H GLY A 77 -2.683 -2.801 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.355 -4.724 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.150 -4.977 12.521 1.00 0.00 H new ATOM 1214 N SER A 78 -5.759 -5.356 11.306 1.00 0.00 N ATOM 1215 CA SER A 78 -7.170 -5.710 11.400 1.00 0.00 C ATOM 1216 C SER A 78 -8.164 -4.628 10.934 1.00 0.00 C ATOM 1217 O SER A 78 -9.360 -4.907 10.829 1.00 0.00 O ATOM 1218 CB SER A 78 -7.459 -6.255 12.810 1.00 0.00 C ATOM 1219 OG SER A 78 -8.630 -7.047 12.839 1.00 0.00 O ATOM 0 H SER A 78 -5.259 -5.964 10.657 1.00 0.00 H new ATOM 0 HA SER A 78 -7.350 -6.497 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.611 -6.849 13.151 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.566 -5.423 13.506 1.00 0.00 H new ATOM 0 HG SER A 78 -9.300 -6.663 12.235 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.719 -3.413 10.602 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.542 -2.463 9.872 1.00 0.00 C ATOM 1227 C LYS A 79 -8.755 -3.024 8.474 1.00 0.00 C ATOM 1228 O LYS A 79 -7.828 -3.598 7.902 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.836 -1.105 9.772 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.833 -0.284 11.067 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.020 -0.902 12.213 1.00 0.00 C ATOM 1232 CE LYS A 79 -6.778 0.047 13.388 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.950 0.175 14.275 1.00 0.00 N ATOM 0 H LYS A 79 -6.787 -3.069 10.832 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.491 -2.316 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.804 -1.270 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.316 -0.519 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.437 0.708 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.862 -0.151 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.540 -1.788 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.058 -1.234 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.927 -0.311 13.968 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.510 1.031 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.728 0.830 15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.757 0.543 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.192 -0.757 14.667 1.00 0.00 H new ATOM 1247 N THR A 80 -9.922 -2.761 7.903 1.00 0.00 N ATOM 1248 CA THR A 80 -10.310 -3.166 6.562 1.00 0.00 C ATOM 1249 C THR A 80 -10.407 -1.980 5.605 1.00 0.00 C ATOM 1250 O THR A 80 -10.883 -2.144 4.479 1.00 0.00 O ATOM 1251 CB THR A 80 -11.593 -4.002 6.627 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.564 -3.445 7.500 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.266 -5.394 7.150 1.00 0.00 C ATOM 0 H THR A 80 -10.654 -2.237 8.383 1.00 0.00 H new ATOM 0 HA THR A 80 -9.526 -3.797 6.143 1.00 0.00 H new ATOM 0 HB THR A 80 -11.999 -4.028 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.363 -4.013 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.178 -5.989 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.552 -5.876 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.833 -5.316 8.147 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.989 -0.785 6.030 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.820 0.349 5.132 1.00 0.00 C ATOM 1263 C HIS A 81 -8.690 1.269 5.579 1.00 0.00 C ATOM 1264 O HIS A 81 -8.179 1.153 6.697 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.125 1.141 4.922 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.790 1.723 6.145 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.886 2.541 6.081 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.447 1.599 7.469 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -13.232 2.875 7.328 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.395 2.309 8.218 1.00 0.00 N ATOM 0 H HIS A 81 -9.760 -0.582 7.003 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.543 -0.074 4.166 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.915 1.958 4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.842 0.484 4.430 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -13.357 2.843 5.228 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.601 1.054 7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -14.067 3.510 7.586 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.307 2.169 4.678 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.283 3.191 4.796 1.00 0.00 C ATOM 1280 C GLY A 82 -7.468 4.160 3.629 1.00 0.00 C ATOM 1281 O GLY A 82 -8.453 4.050 2.899 1.00 0.00 O ATOM 0 H GLY A 82 -8.751 2.200 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.372 3.715 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.289 2.744 4.770 1.00 0.00 H new ATOM 1285 N MET A 83 -6.550 5.104 3.422 1.00 0.00 N ATOM 1286 CA MET A 83 -6.673 6.104 2.362 1.00 0.00 C ATOM 1287 C MET A 83 -5.402 6.194 1.521 1.00 0.00 C ATOM 1288 O MET A 83 -4.351 5.675 1.885 1.00 0.00 O ATOM 1289 CB MET A 83 -7.062 7.464 2.966 1.00 0.00 C ATOM 1290 CG MET A 83 -8.386 7.383 3.734 1.00 0.00 C ATOM 1291 SD MET A 83 -9.214 8.969 3.986 1.00 0.00 S ATOM 1292 CE MET A 83 -10.382 8.873 2.606 1.00 0.00 C ATOM 0 H MET A 83 -5.703 5.197 3.982 1.00 0.00 H new ATOM 0 HA MET A 83 -7.468 5.793 1.684 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.272 7.804 3.636 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.147 8.205 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.062 6.718 3.196 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.198 6.928 4.707 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.044 9.739 2.629 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.833 8.861 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.974 7.962 2.693 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.475 6.904 0.404 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.331 7.376 -0.354 1.00 0.00 C ATOM 1304 C LEU A 84 -4.440 8.899 -0.350 1.00 0.00 C ATOM 1305 O LEU A 84 -5.060 9.436 -1.266 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.339 6.797 -1.785 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.548 5.502 -2.021 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.053 5.672 -1.802 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -4.059 4.334 -1.192 1.00 0.00 C ATOM 0 H LEU A 84 -6.366 7.176 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.387 7.052 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.375 6.617 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.950 7.559 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.713 5.269 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.548 4.723 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.668 6.425 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.869 5.990 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.460 3.448 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.984 4.579 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.101 4.136 -1.445 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.948 9.589 0.693 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.936 11.043 0.770 1.00 0.00 C ATOM 1323 C PRO A 85 -2.658 11.624 0.151 1.00 0.00 C ATOM 1324 O PRO A 85 -1.617 10.964 0.109 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.979 11.326 2.275 1.00 0.00 C ATOM 1326 CG PRO A 85 -3.166 10.177 2.877 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.378 9.015 1.904 1.00 0.00 C ATOM 0 HA PRO A 85 -4.764 11.495 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.542 12.295 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.001 11.336 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.111 10.438 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.514 9.926 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.435 8.512 1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.047 8.268 2.331 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.708 12.892 -0.260 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.565 13.591 -0.831 1.00 0.00 C ATOM 1337 C GLY A 86 -1.202 13.109 -2.237 1.00 0.00 C ATOM 1338 O GLY A 86 -0.110 13.424 -2.713 1.00 0.00 O ATOM 0 H GLY A 86 -3.551 13.463 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.781 14.659 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.704 13.460 -0.176 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.086 12.359 -2.899 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.949 11.904 -4.282 1.00 0.00 C ATOM 1344 C LEU A 87 -2.191 13.088 -5.221 1.00 0.00 C ATOM 1345 O LEU A 87 -2.440 14.200 -4.751 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.949 10.754 -4.522 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.449 9.363 -4.085 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.465 8.762 -5.076 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.799 9.327 -2.699 1.00 0.00 C ATOM 0 H LEU A 87 -2.953 12.039 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.946 11.526 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.873 10.977 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.194 10.720 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.364 8.771 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.144 7.783 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.947 8.656 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.598 9.416 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.477 8.310 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.936 9.992 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.521 9.653 -1.950 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.125 12.881 -6.538 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.342 13.948 -7.512 1.00 0.00 C ATOM 1363 C GLU A 88 -3.632 13.731 -8.309 1.00 0.00 C ATOM 1364 O GLU A 88 -4.000 12.586 -8.597 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.156 14.071 -8.468 1.00 0.00 C ATOM 1366 CG GLU A 88 0.109 14.562 -7.755 1.00 0.00 C ATOM 1367 CD GLU A 88 0.559 15.944 -8.224 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -0.166 16.932 -7.970 1.00 0.00 O ATOM 1369 OE2 GLU A 88 1.657 16.022 -8.834 1.00 0.00 O ATOM 0 H GLU A 88 -1.921 11.973 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.439 14.877 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.960 13.103 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.409 14.761 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.074 14.590 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.915 13.847 -7.922 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.298 14.826 -8.712 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.487 14.775 -9.540 1.00 0.00 C ATOM 1378 C PRO A 89 -5.196 14.334 -10.983 1.00 0.00 C ATOM 1379 O PRO A 89 -4.039 14.215 -11.403 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.108 16.170 -9.475 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.076 17.088 -8.825 1.00 0.00 C ATOM 1382 CD PRO A 89 -3.930 16.192 -8.376 1.00 0.00 C ATOM 0 HA PRO A 89 -6.178 14.018 -9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.365 16.525 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.031 16.155 -8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.727 17.842 -9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.508 17.621 -7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.002 16.475 -8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.760 16.292 -7.304 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.276 14.135 -11.750 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.297 13.847 -13.183 1.00 0.00 C ATOM 1392 C PHE A 90 -5.325 12.721 -13.595 1.00 0.00 C ATOM 1393 O PHE A 90 -4.709 12.772 -14.666 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.111 15.164 -13.965 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.519 15.050 -15.428 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.876 14.929 -15.785 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.537 14.968 -16.435 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.245 14.684 -17.118 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -5.903 14.708 -17.767 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.258 14.560 -18.108 1.00 0.00 C ATOM 0 H PHE A 90 -7.217 14.174 -11.357 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.272 13.438 -13.446 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.699 15.949 -13.489 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.066 15.470 -13.908 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.640 15.025 -15.027 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.496 15.106 -16.182 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.288 14.591 -17.381 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.142 14.622 -18.529 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.539 14.351 -19.130 1.00 0.00 H new ATOM 1410 N SER A 91 -5.166 11.688 -12.768 1.00 0.00 N ATOM 1411 CA SER A 91 -4.120 10.685 -12.927 1.00 0.00 C ATOM 1412 C SER A 91 -4.643 9.282 -12.684 1.00 0.00 C ATOM 1413 O SER A 91 -5.405 9.082 -11.739 1.00 0.00 O ATOM 1414 CB SER A 91 -3.061 10.965 -11.875 1.00 0.00 C ATOM 1415 OG SER A 91 -2.438 12.208 -12.117 1.00 0.00 O ATOM 0 H SER A 91 -5.768 11.525 -11.961 1.00 0.00 H new ATOM 0 HA SER A 91 -3.734 10.741 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.516 10.967 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.315 10.170 -11.882 1.00 0.00 H new ATOM 0 HG SER A 91 -2.883 12.905 -11.591 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.171 8.297 -13.452 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.298 6.903 -13.063 1.00 0.00 C ATOM 1423 C HIS A 92 -3.201 6.602 -12.033 1.00 0.00 C ATOM 1424 O HIS A 92 -2.095 7.143 -12.107 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.192 6.010 -14.314 1.00 0.00 C ATOM 1426 CG HIS A 92 -4.860 4.658 -14.235 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.550 3.576 -15.028 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.006 4.342 -13.557 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.485 2.633 -14.840 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.369 3.044 -13.919 1.00 0.00 N ATOM 0 H HIS A 92 -3.699 8.445 -14.344 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.267 6.699 -12.608 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.619 6.553 -15.158 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.136 5.856 -14.535 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -3.746 3.504 -15.652 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.534 4.982 -12.866 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.521 1.684 -15.354 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.502 5.720 -11.088 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.551 5.101 -10.178 1.00 0.00 C ATOM 1440 C TYR A 93 -2.964 3.634 -10.065 1.00 0.00 C ATOM 1441 O TYR A 93 -4.158 3.312 -10.158 1.00 0.00 O ATOM 1442 CB TYR A 93 -2.597 5.775 -8.797 1.00 0.00 C ATOM 1443 CG TYR A 93 -1.901 7.122 -8.652 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -2.580 8.316 -8.960 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -0.609 7.195 -8.096 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -1.999 9.567 -8.690 1.00 0.00 C ATOM 1447 CE2 TYR A 93 0.000 8.440 -7.861 1.00 0.00 C ATOM 1448 CZ TYR A 93 -0.706 9.634 -8.134 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.151 10.846 -7.872 1.00 0.00 O ATOM 0 H TYR A 93 -4.459 5.404 -10.929 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.531 5.204 -10.549 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.643 5.905 -8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.158 5.089 -8.072 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.561 8.270 -9.410 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.081 6.286 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.542 10.475 -8.908 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.007 8.484 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 93 0.743 10.721 -7.490 1.00 0.00 H new ATOM 1459 N THR A 94 -2.004 2.737 -9.861 1.00 0.00 N ATOM 1460 CA THR A 94 -2.246 1.329 -9.526 1.00 0.00 C ATOM 1461 C THR A 94 -1.694 1.116 -8.115 1.00 0.00 C ATOM 1462 O THR A 94 -0.818 1.864 -7.680 1.00 0.00 O ATOM 1463 CB THR A 94 -1.571 0.403 -10.558 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.762 0.862 -11.889 1.00 0.00 O ATOM 1465 CG2 THR A 94 -2.029 -1.066 -10.509 1.00 0.00 C ATOM 0 H THR A 94 -1.013 2.969 -9.924 1.00 0.00 H new ATOM 0 HA THR A 94 -3.308 1.087 -9.553 1.00 0.00 H new ATOM 0 HB THR A 94 -0.520 0.440 -10.273 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.223 1.667 -12.038 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.499 -1.638 -11.271 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.811 -1.482 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.102 -1.119 -10.696 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.222 0.139 -7.382 1.00 0.00 N ATOM 1474 CA LEU A 95 -1.872 -0.182 -6.004 1.00 0.00 C ATOM 1475 C LEU A 95 -2.108 -1.668 -5.751 1.00 0.00 C ATOM 1476 O LEU A 95 -2.855 -2.314 -6.493 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.637 0.717 -5.011 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.171 0.639 -4.885 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -4.891 0.478 -6.217 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.577 -0.529 -3.959 1.00 0.00 C ATOM 0 H LEU A 95 -2.942 -0.481 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.813 0.021 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.226 0.520 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.390 1.749 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.478 1.596 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.966 0.431 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.663 1.329 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.560 -0.441 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.663 -0.570 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.207 -1.467 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.147 -0.375 -2.969 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.535 -2.188 -4.667 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.902 -3.478 -4.078 1.00 0.00 C ATOM 1494 C ASN A 96 -1.874 -3.354 -2.558 1.00 0.00 C ATOM 1495 O ASN A 96 -1.186 -2.484 -2.020 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.997 -4.627 -4.566 1.00 0.00 C ATOM 1497 CG ASN A 96 0.467 -4.523 -4.127 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.804 -4.638 -2.953 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.388 -4.345 -5.055 1.00 0.00 N ATOM 0 H ASN A 96 -0.786 -1.715 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.910 -3.733 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.404 -5.571 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.033 -4.662 -5.655 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.373 -4.304 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.115 -4.249 -6.033 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.593 -4.232 -1.864 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.622 -4.339 -0.412 1.00 0.00 C ATOM 1508 C VAL A 97 -1.880 -5.629 -0.046 1.00 0.00 C ATOM 1509 O VAL A 97 -1.992 -6.632 -0.755 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.079 -4.338 0.104 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.134 -4.289 1.639 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.903 -3.153 -0.420 1.00 0.00 C ATOM 0 H VAL A 97 -3.196 -4.917 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.135 -3.486 0.060 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.508 -5.268 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.174 -4.290 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.624 -5.161 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.643 -3.382 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.916 -3.210 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.440 -2.219 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.939 -3.188 -1.509 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.138 -5.635 1.061 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.345 -6.782 1.491 1.00 0.00 C ATOM 1524 C ARG A 98 -0.486 -6.941 2.993 1.00 0.00 C ATOM 1525 O ARG A 98 -0.616 -5.945 3.712 1.00 0.00 O ATOM 1526 CB ARG A 98 1.113 -6.537 1.084 1.00 0.00 C ATOM 1527 CG ARG A 98 1.960 -7.808 0.989 1.00 0.00 C ATOM 1528 CD ARG A 98 3.403 -7.433 0.647 1.00 0.00 C ATOM 1529 NE ARG A 98 4.229 -8.632 0.481 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.526 -8.708 0.171 1.00 0.00 C ATOM 1531 NH1 ARG A 98 6.232 -7.611 -0.067 1.00 0.00 N ATOM 1532 NH2 ARG A 98 6.085 -9.909 0.125 1.00 0.00 N ATOM 0 H ARG A 98 -1.071 -4.835 1.690 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.689 -7.703 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.129 -6.030 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.571 -5.861 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.928 -8.351 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.555 -8.472 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.422 -6.843 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.818 -6.807 1.437 1.00 0.00 H new ATOM 0 HE ARG A 98 3.752 -9.523 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.785 -6.696 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.222 -7.683 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.527 -10.739 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.073 -10.003 -0.109 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.442 -8.182 3.470 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.442 -8.463 4.897 1.00 0.00 C ATOM 1548 C VAL A 99 1.005 -8.508 5.378 1.00 0.00 C ATOM 1549 O VAL A 99 1.906 -8.942 4.650 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.235 -9.755 5.204 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.587 -9.785 4.470 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.443 -11.032 4.914 1.00 0.00 C ATOM 0 H VAL A 99 -0.406 -9.014 2.881 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.954 -7.673 5.447 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.423 -9.732 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.112 -10.709 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.190 -8.932 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.418 -9.735 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.056 -11.902 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.168 -11.058 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.459 -11.047 5.525 1.00 0.00 H new ATOM 1562 N VAL A 100 1.200 -8.112 6.629 1.00 0.00 N ATOM 1563 CA VAL A 100 2.489 -8.041 7.301 1.00 0.00 C ATOM 1564 C VAL A 100 2.315 -8.678 8.677 1.00 0.00 C ATOM 1565 O VAL A 100 1.288 -8.488 9.345 1.00 0.00 O ATOM 1566 CB VAL A 100 2.949 -6.572 7.395 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.330 -6.471 8.076 1.00 0.00 C ATOM 1568 CG2 VAL A 100 2.977 -5.878 6.021 1.00 0.00 C ATOM 0 H VAL A 100 0.429 -7.819 7.229 1.00 0.00 H new ATOM 0 HA VAL A 100 3.262 -8.577 6.749 1.00 0.00 H new ATOM 0 HB VAL A 100 2.214 -6.050 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.633 -5.425 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.270 -6.885 9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.063 -7.031 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.307 -4.846 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.666 -6.405 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.977 -5.891 5.587 1.00 0.00 H new ATOM 1578 N ASN A 101 3.288 -9.478 9.098 1.00 0.00 N ATOM 1579 CA ASN A 101 3.290 -10.159 10.382 1.00 0.00 C ATOM 1580 C ASN A 101 4.713 -10.161 10.952 1.00 0.00 C ATOM 1581 O ASN A 101 5.631 -9.628 10.324 1.00 0.00 O ATOM 1582 CB ASN A 101 2.626 -11.548 10.228 1.00 0.00 C ATOM 1583 CG ASN A 101 3.549 -12.723 9.935 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.718 -12.579 9.597 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.014 -13.920 10.048 1.00 0.00 N ATOM 0 H ASN A 101 4.118 -9.674 8.539 1.00 0.00 H new ATOM 0 HA ASN A 101 2.686 -9.637 11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.079 -11.766 11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.891 -11.486 9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.574 -14.750 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.039 -14.018 10.331 1.00 0.00 H new ATOM 1592 N GLY A 102 4.895 -10.716 12.152 1.00 0.00 N ATOM 1593 CA GLY A 102 6.150 -10.665 12.902 1.00 0.00 C ATOM 1594 C GLY A 102 7.309 -11.427 12.259 1.00 0.00 C ATOM 1595 O GLY A 102 8.406 -11.417 12.809 1.00 0.00 O ATOM 0 H GLY A 102 4.157 -11.224 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.442 -9.622 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.978 -11.067 13.900 1.00 0.00 H new ATOM 1599 N LYS A 103 7.086 -12.090 11.125 1.00 0.00 N ATOM 1600 CA LYS A 103 8.039 -12.968 10.463 1.00 0.00 C ATOM 1601 C LYS A 103 8.295 -12.515 9.030 1.00 0.00 C ATOM 1602 O LYS A 103 9.373 -12.792 8.493 1.00 0.00 O ATOM 1603 CB LYS A 103 7.438 -14.377 10.527 1.00 0.00 C ATOM 1604 CG LYS A 103 8.411 -15.521 10.222 1.00 0.00 C ATOM 1605 CD LYS A 103 9.282 -15.780 11.448 1.00 0.00 C ATOM 1606 CE LYS A 103 10.174 -16.997 11.244 1.00 0.00 C ATOM 1607 NZ LYS A 103 10.944 -17.273 12.474 1.00 0.00 N ATOM 0 H LYS A 103 6.199 -12.025 10.625 1.00 0.00 H new ATOM 0 HA LYS A 103 9.012 -12.948 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.023 -14.532 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.607 -14.432 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.859 -16.423 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.035 -15.265 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.898 -14.904 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.648 -15.933 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.566 -17.864 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.855 -16.823 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.220 -18.276 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.797 -16.679 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.358 -17.059 13.306 1.00 0.00 H new ATOM 1621 N GLY A 104 7.340 -11.821 8.405 1.00 0.00 N ATOM 1622 CA GLY A 104 7.471 -11.320 7.053 1.00 0.00 C ATOM 1623 C GLY A 104 6.128 -10.934 6.461 1.00 0.00 C ATOM 1624 O GLY A 104 5.182 -10.589 7.172 1.00 0.00 O ATOM 0 H GLY A 104 6.445 -11.593 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.132 -10.453 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.939 -12.080 6.428 1.00 0.00 H new ATOM 1628 N GLU A 105 6.087 -10.880 5.132 1.00 0.00 N ATOM 1629 CA GLU A 105 5.072 -10.164 4.373 1.00 0.00 C ATOM 1630 C GLU A 105 4.582 -11.103 3.280 1.00 0.00 C ATOM 1631 O GLU A 105 5.388 -11.670 2.537 1.00 0.00 O ATOM 1632 CB GLU A 105 5.661 -8.851 3.825 1.00 0.00 C ATOM 1633 CG GLU A 105 6.172 -7.988 4.988 1.00 0.00 C ATOM 1634 CD GLU A 105 6.626 -6.583 4.608 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.253 -6.391 3.544 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.483 -5.660 5.438 1.00 0.00 O ATOM 0 H GLU A 105 6.776 -11.345 4.541 1.00 0.00 H new ATOM 0 HA GLU A 105 4.222 -9.877 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.476 -9.067 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.902 -8.308 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.381 -7.907 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.006 -8.505 5.463 1.00 0.00 H new ATOM 1643 N GLY A 106 3.274 -11.335 3.227 1.00 0.00 N ATOM 1644 CA GLY A 106 2.701 -12.431 2.453 1.00 0.00 C ATOM 1645 C GLY A 106 2.658 -12.113 0.961 1.00 0.00 C ATOM 1646 O GLY A 106 3.385 -11.235 0.487 1.00 0.00 O ATOM 0 H GLY A 106 2.582 -10.769 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.288 -13.335 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.692 -12.638 2.809 1.00 0.00 H new ATOM 1650 N PRO A 107 1.837 -12.813 0.173 1.00 0.00 N ATOM 1651 CA PRO A 107 1.504 -12.317 -1.150 1.00 0.00 C ATOM 1652 C PRO A 107 0.671 -11.041 -1.017 1.00 0.00 C ATOM 1653 O PRO A 107 0.274 -10.641 0.085 1.00 0.00 O ATOM 1654 CB PRO A 107 0.764 -13.468 -1.815 1.00 0.00 C ATOM 1655 CG PRO A 107 0.062 -14.165 -0.653 1.00 0.00 C ATOM 1656 CD PRO A 107 0.951 -13.900 0.565 1.00 0.00 C ATOM 0 HA PRO A 107 2.366 -12.033 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.051 -13.110 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.450 -14.141 -2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.942 -13.767 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.043 -15.234 -0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.354 -13.625 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.519 -14.790 0.837 1.00 0.00 H new ATOM 1664 N ALA A 108 0.445 -10.378 -2.148 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.323 -9.150 -2.209 1.00 0.00 C ATOM 1666 C ALA A 108 -1.603 -9.396 -3.006 1.00 0.00 C ATOM 1667 O ALA A 108 -1.781 -10.455 -3.617 1.00 0.00 O ATOM 1668 CB ALA A 108 0.558 -8.031 -2.760 1.00 0.00 C ATOM 0 H ALA A 108 0.796 -10.686 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.640 -8.825 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.016 -7.106 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.419 -7.891 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.901 -8.297 -3.760 1.00 0.00 H new ATOM 1674 N SER A 109 -2.524 -8.448 -2.878 1.00 0.00 N ATOM 1675 CA SER A 109 -3.924 -8.576 -3.245 1.00 0.00 C ATOM 1676 C SER A 109 -4.086 -8.695 -4.767 1.00 0.00 C ATOM 1677 O SER A 109 -3.095 -8.622 -5.503 1.00 0.00 O ATOM 1678 CB SER A 109 -4.636 -7.355 -2.637 1.00 0.00 C ATOM 1679 OG SER A 109 -4.252 -6.134 -3.255 1.00 0.00 O ATOM 0 H SER A 109 -2.302 -7.528 -2.498 1.00 0.00 H new ATOM 0 HA SER A 109 -4.373 -9.489 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.714 -7.483 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.415 -7.304 -1.571 1.00 0.00 H new ATOM 0 HG SER A 109 -4.747 -6.022 -4.093 1.00 0.00 H new ATOM 1685 N PRO A 110 -5.319 -8.782 -5.296 1.00 0.00 N ATOM 1686 CA PRO A 110 -5.567 -8.256 -6.627 1.00 0.00 C ATOM 1687 C PRO A 110 -5.035 -6.821 -6.689 1.00 0.00 C ATOM 1688 O PRO A 110 -5.285 -6.037 -5.764 1.00 0.00 O ATOM 1689 CB PRO A 110 -7.083 -8.332 -6.836 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.660 -8.437 -5.424 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.569 -9.182 -4.662 1.00 0.00 C ATOM 0 HA PRO A 110 -5.064 -8.816 -7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.457 -7.448 -7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.357 -9.196 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.854 -7.455 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.604 -8.982 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.576 -8.918 -3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.713 -10.261 -4.722 1.00 0.00 H new ATOM 1699 N ASP A 111 -4.307 -6.470 -7.753 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.980 -5.083 -8.038 1.00 0.00 C ATOM 1701 C ASP A 111 -5.318 -4.381 -8.220 1.00 0.00 C ATOM 1702 O ASP A 111 -6.234 -4.936 -8.845 1.00 0.00 O ATOM 1703 CB ASP A 111 -3.146 -4.886 -9.324 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.147 -5.992 -9.648 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.599 -7.097 -10.041 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.920 -5.759 -9.601 1.00 0.00 O ATOM 0 H ASP A 111 -3.935 -7.136 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.372 -4.689 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.831 -4.784 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.602 -3.945 -9.240 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.432 -3.155 -7.729 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.575 -2.302 -8.015 1.00 0.00 C ATOM 1713 C ARG A 112 -6.102 -1.131 -8.852 1.00 0.00 C ATOM 1714 O ARG A 112 -4.903 -0.906 -9.029 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.277 -1.890 -6.713 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.377 -2.887 -6.346 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.527 -2.876 -7.358 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.727 -4.180 -8.009 1.00 0.00 N ATOM 1719 CZ ARG A 112 -10.232 -4.401 -9.227 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -10.732 -3.404 -9.958 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.237 -5.641 -9.698 1.00 0.00 N ATOM 0 H ARG A 112 -4.735 -2.725 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.328 -2.837 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.548 -1.833 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.706 -0.894 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.953 -3.890 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.765 -2.650 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.447 -2.583 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.328 -2.122 -8.119 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.451 -5.003 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.734 -2.453 -9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.113 -3.593 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -9.861 -6.403 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.617 -5.833 -10.625 1.00 0.00 H new ATOM 1735 N VAL A 113 -7.061 -0.387 -9.379 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.816 0.747 -10.238 1.00 0.00 C ATOM 1737 C VAL A 113 -7.739 1.859 -9.755 1.00 0.00 C ATOM 1738 O VAL A 113 -8.824 1.574 -9.232 1.00 0.00 O ATOM 1739 CB VAL A 113 -7.007 0.345 -11.713 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -6.224 -0.920 -12.102 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -8.473 0.168 -12.085 1.00 0.00 C ATOM 0 H VAL A 113 -8.052 -0.564 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.789 1.109 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.600 1.182 -12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.401 -1.149 -13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.159 -0.752 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.556 -1.757 -11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.550 -0.115 -13.135 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.914 -0.613 -11.465 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.006 1.105 -11.922 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.334 3.111 -9.923 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.144 4.279 -9.617 1.00 0.00 C ATOM 1753 C PHE A 114 -7.627 5.454 -10.435 1.00 0.00 C ATOM 1754 O PHE A 114 -6.411 5.609 -10.596 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.165 4.564 -8.105 1.00 0.00 C ATOM 1756 CG PHE A 114 -6.852 4.897 -7.409 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -5.903 3.890 -7.147 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.623 6.195 -6.914 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -4.744 4.176 -6.402 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.469 6.484 -6.164 1.00 0.00 C ATOM 1761 CZ PHE A 114 -4.526 5.473 -5.902 1.00 0.00 C ATOM 0 H PHE A 114 -6.410 3.346 -10.285 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.183 4.098 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.850 5.394 -7.934 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.591 3.692 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.066 2.890 -7.521 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.341 6.977 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.020 3.398 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.306 7.483 -5.789 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.642 5.691 -5.322 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.534 6.290 -10.946 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.241 7.510 -11.670 1.00 0.00 C ATOM 1773 C ASN A 115 -8.867 8.686 -10.935 1.00 0.00 C ATOM 1774 O ASN A 115 -10.043 8.624 -10.573 1.00 0.00 O ATOM 1775 CB ASN A 115 -8.694 7.436 -13.128 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.202 7.369 -13.345 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -10.855 8.373 -13.593 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -10.795 6.190 -13.305 1.00 0.00 N ATOM 0 H ASN A 115 -9.536 6.119 -10.857 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.161 7.650 -11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.307 8.308 -13.655 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.239 6.558 -13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -11.797 6.117 -13.481 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.251 5.352 -13.098 1.00 0.00 H new ATOM 1785 N THR A 116 -8.071 9.714 -10.664 1.00 0.00 N ATOM 1786 CA THR A 116 -8.495 10.900 -9.935 1.00 0.00 C ATOM 1787 C THR A 116 -9.207 11.879 -10.888 1.00 0.00 C ATOM 1788 O THR A 116 -8.996 11.795 -12.103 1.00 0.00 O ATOM 1789 CB THR A 116 -7.286 11.522 -9.198 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.094 11.459 -9.961 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.037 10.866 -7.837 1.00 0.00 C ATOM 0 H THR A 116 -7.093 9.745 -10.952 1.00 0.00 H new ATOM 0 HA THR A 116 -9.223 10.635 -9.169 1.00 0.00 H new ATOM 0 HB THR A 116 -7.552 12.568 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.357 11.854 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.178 11.336 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.917 10.990 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.838 9.803 -7.976 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.037 12.805 -10.356 1.00 0.00 N ATOM 1800 CA PRO A 117 -10.969 13.611 -11.140 1.00 0.00 C ATOM 1801 C PRO A 117 -10.250 14.607 -12.059 1.00 0.00 C ATOM 1802 O PRO A 117 -9.973 14.258 -13.203 1.00 0.00 O ATOM 1803 CB PRO A 117 -11.950 14.239 -10.137 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.206 14.198 -8.804 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.294 12.995 -8.934 1.00 0.00 C ATOM 0 HA PRO A 117 -11.532 13.004 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.206 15.260 -10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.883 13.678 -10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.639 15.113 -8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.894 14.089 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.362 13.158 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.762 12.109 -8.505 1.00 0.00 H new ATOM 1813 N GLU A 118 -9.955 15.837 -11.620 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.252 16.815 -12.465 1.00 0.00 C ATOM 1815 C GLU A 118 -8.416 17.804 -11.650 1.00 0.00 C ATOM 1816 O GLU A 118 -7.346 18.236 -12.073 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.233 17.553 -13.388 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.453 18.434 -14.378 1.00 0.00 C ATOM 1819 CD GLU A 118 -10.265 18.850 -15.606 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -11.457 19.195 -15.468 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -9.688 18.872 -16.727 1.00 0.00 O ATOM 0 H GLU A 118 -10.190 16.179 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.555 16.250 -13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.846 16.834 -13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.911 18.168 -12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.110 19.330 -13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.564 17.896 -14.707 1.00 0.00 H new ATOM 1828 N GLY A 119 -8.871 18.104 -10.444 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.238 19.025 -9.512 1.00 0.00 C ATOM 1830 C GLY A 119 -8.778 20.447 -9.633 1.00 0.00 C ATOM 1831 O GLY A 119 -9.877 20.680 -10.154 1.00 0.00 O ATOM 0 H GLY A 119 -9.728 17.695 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.391 18.668 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.162 19.033 -9.689 1.00 0.00 H new ATOM 1835 N SER A 120 -7.986 21.380 -9.108 1.00 0.00 N ATOM 1836 CA SER A 120 -8.227 22.810 -9.050 1.00 0.00 C ATOM 1837 C SER A 120 -9.572 23.140 -8.399 1.00 0.00 C ATOM 1838 O SER A 120 -10.518 23.585 -9.053 1.00 0.00 O ATOM 1839 CB SER A 120 -8.007 23.439 -10.438 1.00 0.00 C ATOM 1840 OG SER A 120 -6.877 24.286 -10.395 1.00 0.00 O ATOM 0 H SER A 120 -7.093 21.131 -8.682 1.00 0.00 H new ATOM 0 HA SER A 120 -7.496 23.273 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.862 22.658 -11.185 1.00 0.00 H new ATOM 0 HB3 SER A 120 -8.889 24.006 -10.737 1.00 0.00 H new ATOM 0 HG SER A 120 -6.734 24.686 -11.278 1.00 0.00 H new ATOM 1846 N GLY A 121 -9.642 22.986 -7.077 1.00 0.00 N ATOM 1847 CA GLY A 121 -10.688 23.617 -6.292 1.00 0.00 C ATOM 1848 C GLY A 121 -10.386 23.545 -4.797 1.00 0.00 C ATOM 1849 O GLY A 121 -9.605 22.688 -4.368 1.00 0.00 O ATOM 0 H GLY A 121 -8.984 22.429 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.792 24.659 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.641 23.130 -6.496 1.00 0.00 H new ATOM 1853 N PRO A 122 -10.989 24.431 -3.984 1.00 0.00 N ATOM 1854 CA PRO A 122 -10.687 24.552 -2.564 1.00 0.00 C ATOM 1855 C PRO A 122 -11.283 23.396 -1.757 1.00 0.00 C ATOM 1856 O PRO A 122 -10.620 22.860 -0.868 1.00 0.00 O ATOM 1857 CB PRO A 122 -11.290 25.898 -2.143 1.00 0.00 C ATOM 1858 CG PRO A 122 -12.448 26.110 -3.117 1.00 0.00 C ATOM 1859 CD PRO A 122 -11.924 25.470 -4.399 1.00 0.00 C ATOM 0 HA PRO A 122 -9.614 24.509 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -11.638 25.873 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -10.558 26.702 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.363 25.631 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.674 27.167 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -12.740 25.047 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.429 26.209 -5.029 1.00 0.00 H new ATOM 1867 N SER A 123 -12.531 23.027 -2.044 1.00 0.00 N ATOM 1868 CA SER A 123 -13.292 22.035 -1.306 1.00 0.00 C ATOM 1869 C SER A 123 -14.142 21.303 -2.345 1.00 0.00 C ATOM 1870 O SER A 123 -13.591 20.460 -3.051 1.00 0.00 O ATOM 1871 CB SER A 123 -14.055 22.745 -0.177 1.00 0.00 C ATOM 1872 OG SER A 123 -14.711 21.837 0.678 1.00 0.00 O ATOM 0 H SER A 123 -13.052 23.427 -2.824 1.00 0.00 H new ATOM 0 HA SER A 123 -12.694 21.281 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.359 23.350 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.787 23.427 -0.609 1.00 0.00 H new ATOM 0 HG SER A 123 -15.181 22.331 1.381 1.00 0.00 H new ATOM 1878 N SER A 124 -15.418 21.654 -2.514 1.00 0.00 N ATOM 1879 CA SER A 124 -16.213 21.246 -3.671 1.00 0.00 C ATOM 1880 C SER A 124 -15.635 21.891 -4.939 1.00 0.00 C ATOM 1881 O SER A 124 -15.616 21.286 -6.016 1.00 0.00 O ATOM 1882 CB SER A 124 -17.673 21.675 -3.413 1.00 0.00 C ATOM 1883 OG SER A 124 -18.394 22.010 -4.583 1.00 0.00 O ATOM 0 H SER A 124 -15.930 22.232 -1.848 1.00 0.00 H new ATOM 0 HA SER A 124 -16.185 20.166 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.192 20.866 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 124 -17.674 22.533 -2.741 1.00 0.00 H new ATOM 0 HG SER A 124 -18.458 22.985 -4.660 1.00 0.00 H new ATOM 1889 N GLY A 125 -15.203 23.146 -4.820 1.00 0.00 N ATOM 1890 CA GLY A 125 -15.449 24.130 -5.852 1.00 0.00 C ATOM 1891 C GLY A 125 -16.547 24.970 -5.267 1.00 0.00 C ATOM 1892 O GLY A 125 -17.687 24.469 -5.177 1.00 0.00 O ATOM 0 H GLY A 125 -14.682 23.497 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -14.559 24.722 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -15.754 23.664 -6.789 1.00 0.00 H new TER 1896 GLY A 125