USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 891 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 88 ASN : amide:sc= 2.81 K(o=4.1,f=-2.7!) USER MOD Set 1.2: A 90 THR OG1 : rot -49:sc= 1.25 USER MOD Set 2.1: A 14 MET CE :methyl 178:sc= -1.04 (180deg=-0.775) USER MOD Set 2.2: A 41 CYS SG : rot -6:sc= -0.381 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.138 (180deg=-0.893!) USER MOD Single : A 2 CYS SG : rot 7:sc= 0.159 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 17 SER OG : rot -46:sc= 0.0413 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.031) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc=-0.000668 (180deg=-0.18) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -2:sc= 0.32 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.55) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 42:sc= 1.13 USER MOD Single : A 50 SER OG : rot 95:sc= 0.0188 USER MOD Single : A 51 SER OG : rot 63:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0.147 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 1.09 (180deg=-0.248) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0.854 (180deg=0.524) USER MOD Single : A 61 ASN :FLIP amide:sc= -2.21 F(o=-3!,f=-2.2) USER MOD Single : A 62 THR OG1 : rot -47:sc= 0.129 USER MOD Single : A 63 SER OG : rot 170:sc= 0.464 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 176:sc= 1.58 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.033 K(o=0.033,f=-0.93) USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 1.07 (180deg=-0.31) USER MOD Single : A 86 ASN : amide:sc= 0.0624 X(o=0.062,f=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.151 F(o=-1.7,f=-0.15) USER MOD Single : A 93 SER OG : rot 180:sc= 0.092 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 69:sc= -0.0299 USER MOD Single : A 99 CYS SG : rot 33:sc= 0.528 USER MOD Single : A 104 ASN : amide:sc= -0.0703 K(o=-0.07,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.439 K(o=0.44,f=-1.9) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.509 32.052 -6.588 1.00 43.42 N ATOM 2 CA GLY A 1 -1.669 33.300 -5.840 1.00 50.24 C ATOM 3 C GLY A 1 -1.033 33.154 -4.474 1.00 74.32 C ATOM 4 O GLY A 1 0.174 32.924 -4.388 1.00 52.23 O ATOM 0 H1 GLY A 1 -1.205 32.266 -7.559 1.00 43.42 H new ATOM 0 H2 GLY A 1 -0.792 31.458 -6.124 1.00 43.42 H new ATOM 0 H3 GLY A 1 -2.416 31.544 -6.613 1.00 43.42 H new ATOM 0 HA2 GLY A 1 -1.205 34.124 -6.383 1.00 50.24 H new ATOM 0 HA3 GLY A 1 -2.727 33.542 -5.737 1.00 50.24 H new ATOM 8 N CYS A 2 -1.826 33.296 -3.410 1.00 24.15 N ATOM 9 CA CYS A 2 -1.425 33.101 -2.017 1.00 62.21 C ATOM 10 C CYS A 2 -2.557 32.343 -1.320 1.00 51.24 C ATOM 11 O CYS A 2 -3.109 32.805 -0.325 1.00 54.03 O ATOM 12 CB CYS A 2 -1.141 34.454 -1.341 1.00 72.50 C ATOM 13 SG CYS A 2 0.321 35.258 -2.055 1.00 2.35 S ATOM 0 H CYS A 2 -2.807 33.561 -3.501 1.00 24.15 H new ATOM 0 HA CYS A 2 -0.502 32.525 -1.953 1.00 62.21 H new ATOM 0 HB2 CYS A 2 -2.007 35.106 -1.452 1.00 72.50 H new ATOM 0 HB3 CYS A 2 -0.990 34.304 -0.272 1.00 72.50 H new ATOM 0 HG CYS A 2 0.725 34.583 -3.090 1.00 2.35 H new ATOM 19 N GLU A 3 -2.958 31.225 -1.913 1.00 23.45 N ATOM 20 CA GLU A 3 -4.093 30.412 -1.505 1.00 52.40 C ATOM 21 C GLU A 3 -3.592 29.266 -0.631 1.00 45.10 C ATOM 22 O GLU A 3 -2.463 28.798 -0.798 1.00 64.42 O ATOM 23 CB GLU A 3 -4.888 29.918 -2.732 1.00 50.14 C ATOM 24 CG GLU A 3 -4.079 29.266 -3.871 1.00 52.01 C ATOM 25 CD GLU A 3 -3.187 30.272 -4.603 1.00 52.13 C ATOM 26 OE1 GLU A 3 -3.679 31.272 -5.169 1.00 45.44 O ATOM 27 OE2 GLU A 3 -1.943 30.152 -4.534 1.00 24.55 O ATOM 0 H GLU A 3 -2.478 30.845 -2.728 1.00 23.45 H new ATOM 0 HA GLU A 3 -4.788 31.011 -0.917 1.00 52.40 H new ATOM 0 HB2 GLU A 3 -5.630 29.198 -2.388 1.00 50.14 H new ATOM 0 HB3 GLU A 3 -5.434 30.766 -3.146 1.00 50.14 H new ATOM 0 HG2 GLU A 3 -3.461 28.466 -3.462 1.00 52.01 H new ATOM 0 HG3 GLU A 3 -4.765 28.807 -4.583 1.00 52.01 H new ATOM 34 N LEU A 4 -4.422 28.838 0.322 1.00 64.24 N ATOM 35 CA LEU A 4 -4.119 27.768 1.274 1.00 32.25 C ATOM 36 C LEU A 4 -5.340 26.856 1.455 1.00 21.24 C ATOM 37 O LEU A 4 -5.410 26.095 2.417 1.00 44.12 O ATOM 38 CB LEU A 4 -3.641 28.328 2.634 1.00 45.00 C ATOM 39 CG LEU A 4 -2.272 29.043 2.609 1.00 61.41 C ATOM 40 CD1 LEU A 4 -2.416 30.563 2.445 1.00 22.52 C ATOM 41 CD2 LEU A 4 -1.502 28.780 3.908 1.00 44.12 C ATOM 0 H LEU A 4 -5.351 29.238 0.457 1.00 64.24 H new ATOM 0 HA LEU A 4 -3.299 27.178 0.864 1.00 32.25 H new ATOM 0 HB2 LEU A 4 -4.391 29.027 3.004 1.00 45.00 H new ATOM 0 HB3 LEU A 4 -3.590 27.507 3.349 1.00 45.00 H new ATOM 0 HG LEU A 4 -1.731 28.641 1.752 1.00 61.41 H new ATOM 0 HD11 LEU A 4 -1.428 31.023 2.433 1.00 22.52 H new ATOM 0 HD12 LEU A 4 -2.929 30.781 1.508 1.00 22.52 H new ATOM 0 HD13 LEU A 4 -2.993 30.966 3.277 1.00 22.52 H new ATOM 0 HD21 LEU A 4 -0.540 29.292 3.871 1.00 44.12 H new ATOM 0 HD22 LEU A 4 -2.079 29.152 4.755 1.00 44.12 H new ATOM 0 HD23 LEU A 4 -1.338 27.709 4.023 1.00 44.12 H new ATOM 53 N SER A 5 -6.330 26.928 0.568 1.00 65.33 N ATOM 54 CA SER A 5 -7.524 26.101 0.607 1.00 32.25 C ATOM 55 C SER A 5 -7.947 25.849 -0.842 1.00 25.53 C ATOM 56 O SER A 5 -7.774 26.721 -1.702 1.00 34.45 O ATOM 57 CB SER A 5 -8.577 26.841 1.455 1.00 73.44 C ATOM 58 OG SER A 5 -9.866 26.253 1.443 1.00 5.15 O ATOM 0 H SER A 5 -6.319 27.581 -0.216 1.00 65.33 H new ATOM 0 HA SER A 5 -7.372 25.127 1.073 1.00 32.25 H new ATOM 0 HB2 SER A 5 -8.225 26.890 2.485 1.00 73.44 H new ATOM 0 HB3 SER A 5 -8.657 27.867 1.096 1.00 73.44 H new ATOM 0 HG SER A 5 -10.471 26.781 2.005 1.00 5.15 H new ATOM 64 N ASP A 6 -8.501 24.665 -1.099 1.00 5.41 N ATOM 65 CA ASP A 6 -9.023 24.238 -2.393 1.00 70.31 C ATOM 66 C ASP A 6 -10.134 25.185 -2.867 1.00 61.33 C ATOM 67 O ASP A 6 -10.743 25.868 -2.035 1.00 64.43 O ATOM 68 CB ASP A 6 -9.530 22.788 -2.268 1.00 22.41 C ATOM 69 CG ASP A 6 -8.390 21.807 -2.541 1.00 34.55 C ATOM 70 OD1 ASP A 6 -7.956 21.755 -3.715 1.00 50.21 O ATOM 71 OD2 ASP A 6 -7.888 21.196 -1.566 1.00 70.40 O ATOM 0 H ASP A 6 -8.602 23.948 -0.380 1.00 5.41 H new ATOM 0 HA ASP A 6 -8.232 24.274 -3.143 1.00 70.31 H new ATOM 0 HB2 ASP A 6 -9.933 22.620 -1.269 1.00 22.41 H new ATOM 0 HB3 ASP A 6 -10.344 22.617 -2.973 1.00 22.41 H new ATOM 76 N PRO A 7 -10.449 25.237 -4.176 1.00 23.54 N ATOM 77 CA PRO A 7 -11.429 26.166 -4.729 1.00 61.24 C ATOM 78 C PRO A 7 -12.829 25.897 -4.173 1.00 63.11 C ATOM 79 O PRO A 7 -13.429 26.792 -3.572 1.00 62.11 O ATOM 80 CB PRO A 7 -11.347 26.008 -6.252 1.00 4.44 C ATOM 81 CG PRO A 7 -10.763 24.608 -6.440 1.00 10.21 C ATOM 82 CD PRO A 7 -9.817 24.484 -5.249 1.00 13.15 C ATOM 0 HA PRO A 7 -11.215 27.197 -4.446 1.00 61.24 H new ATOM 0 HB2 PRO A 7 -12.329 26.098 -6.717 1.00 4.44 H new ATOM 0 HB3 PRO A 7 -10.710 26.771 -6.700 1.00 4.44 H new ATOM 0 HG2 PRO A 7 -11.536 23.840 -6.426 1.00 10.21 H new ATOM 0 HG3 PRO A 7 -10.236 24.512 -7.389 1.00 10.21 H new ATOM 0 HD2 PRO A 7 -9.675 23.441 -4.967 1.00 13.15 H new ATOM 0 HD3 PRO A 7 -8.832 24.887 -5.485 1.00 13.15 H new ATOM 90 N ASP A 8 -13.334 24.668 -4.294 1.00 30.52 N ATOM 91 CA ASP A 8 -14.687 24.277 -3.890 1.00 5.23 C ATOM 92 C ASP A 8 -14.703 23.156 -2.846 1.00 54.44 C ATOM 93 O ASP A 8 -15.778 22.652 -2.524 1.00 74.24 O ATOM 94 CB ASP A 8 -15.549 23.940 -5.113 1.00 65.53 C ATOM 95 CG ASP A 8 -15.281 22.558 -5.698 1.00 12.01 C ATOM 96 OD1 ASP A 8 -14.098 22.216 -5.893 1.00 63.44 O ATOM 97 OD2 ASP A 8 -16.260 21.860 -6.059 1.00 54.13 O ATOM 0 H ASP A 8 -12.798 23.894 -4.687 1.00 30.52 H new ATOM 0 HA ASP A 8 -15.130 25.141 -3.396 1.00 5.23 H new ATOM 0 HB2 ASP A 8 -16.600 24.007 -4.833 1.00 65.53 H new ATOM 0 HB3 ASP A 8 -15.376 24.690 -5.885 1.00 65.53 H new ATOM 102 N GLY A 9 -13.551 22.820 -2.258 1.00 4.13 N ATOM 103 CA GLY A 9 -13.464 21.912 -1.116 1.00 14.03 C ATOM 104 C GLY A 9 -13.722 20.461 -1.520 1.00 10.25 C ATOM 105 O GLY A 9 -14.497 19.758 -0.867 1.00 34.51 O ATOM 0 H GLY A 9 -12.646 23.175 -2.566 1.00 4.13 H new ATOM 0 HA2 GLY A 9 -12.476 21.992 -0.663 1.00 14.03 H new ATOM 0 HA3 GLY A 9 -14.188 22.212 -0.358 1.00 14.03 H new ATOM 109 N LEU A 10 -13.070 20.049 -2.609 1.00 12.05 N ATOM 110 CA LEU A 10 -13.040 18.723 -3.194 1.00 22.23 C ATOM 111 C LEU A 10 -12.232 17.764 -2.304 1.00 65.10 C ATOM 112 O LEU A 10 -11.884 18.090 -1.164 1.00 13.02 O ATOM 113 CB LEU A 10 -12.522 18.752 -4.644 1.00 64.30 C ATOM 114 CG LEU A 10 -11.128 19.384 -4.781 1.00 52.13 C ATOM 115 CD1 LEU A 10 -10.274 18.684 -5.841 1.00 2.33 C ATOM 116 CD2 LEU A 10 -11.355 20.850 -5.140 1.00 61.44 C ATOM 0 H LEU A 10 -12.500 20.701 -3.147 1.00 12.05 H new ATOM 0 HA LEU A 10 -14.062 18.347 -3.244 1.00 22.23 H new ATOM 0 HB2 LEU A 10 -12.491 17.734 -5.031 1.00 64.30 H new ATOM 0 HB3 LEU A 10 -13.227 19.307 -5.263 1.00 64.30 H new ATOM 0 HG LEU A 10 -10.574 19.282 -3.848 1.00 52.13 H new ATOM 0 HD11 LEU A 10 -9.299 19.167 -5.900 1.00 2.33 H new ATOM 0 HD12 LEU A 10 -10.144 17.636 -5.570 1.00 2.33 H new ATOM 0 HD13 LEU A 10 -10.770 18.749 -6.809 1.00 2.33 H new ATOM 0 HD21 LEU A 10 -10.393 21.351 -5.250 1.00 61.44 H new ATOM 0 HD22 LEU A 10 -11.907 20.914 -6.078 1.00 61.44 H new ATOM 0 HD23 LEU A 10 -11.927 21.334 -4.349 1.00 61.44 H new ATOM 128 N ALA A 11 -11.923 16.576 -2.817 1.00 64.40 N ATOM 129 CA ALA A 11 -11.141 15.549 -2.159 1.00 32.55 C ATOM 130 C ALA A 11 -9.922 15.225 -3.023 1.00 5.12 C ATOM 131 O ALA A 11 -9.997 14.425 -3.960 1.00 13.03 O ATOM 132 CB ALA A 11 -12.045 14.349 -1.871 1.00 2.22 C ATOM 0 H ALA A 11 -12.229 16.296 -3.749 1.00 64.40 H new ATOM 0 HA ALA A 11 -10.755 15.882 -1.196 1.00 32.55 H new ATOM 0 HB1 ALA A 11 -11.467 13.569 -1.375 1.00 2.22 H new ATOM 0 HB2 ALA A 11 -12.866 14.659 -1.224 1.00 2.22 H new ATOM 0 HB3 ALA A 11 -12.447 13.963 -2.808 1.00 2.22 H new ATOM 138 N ASP A 12 -8.796 15.876 -2.728 1.00 12.25 N ATOM 139 CA ASP A 12 -7.488 15.518 -3.289 1.00 61.21 C ATOM 140 C ASP A 12 -7.071 14.108 -2.860 1.00 63.32 C ATOM 141 O ASP A 12 -7.469 13.676 -1.775 1.00 63.52 O ATOM 142 CB ASP A 12 -6.396 16.521 -2.861 1.00 34.52 C ATOM 143 CG ASP A 12 -5.611 17.112 -4.038 1.00 22.14 C ATOM 144 OD1 ASP A 12 -6.182 17.365 -5.116 1.00 73.51 O ATOM 145 OD2 ASP A 12 -4.364 17.235 -3.918 1.00 10.25 O ATOM 0 H ASP A 12 -8.763 16.671 -2.090 1.00 12.25 H new ATOM 0 HA ASP A 12 -7.590 15.549 -4.374 1.00 61.21 H new ATOM 0 HB2 ASP A 12 -6.859 17.333 -2.300 1.00 34.52 H new ATOM 0 HB3 ASP A 12 -5.701 16.022 -2.185 1.00 34.52 H new ATOM 150 N PRO A 13 -6.240 13.389 -3.632 1.00 30.54 N ATOM 151 CA PRO A 13 -5.647 12.138 -3.175 1.00 62.44 C ATOM 152 C PRO A 13 -4.513 12.409 -2.179 1.00 33.15 C ATOM 153 O PRO A 13 -3.992 13.526 -2.088 1.00 42.34 O ATOM 154 CB PRO A 13 -5.133 11.464 -4.442 1.00 53.40 C ATOM 155 CG PRO A 13 -4.748 12.645 -5.325 1.00 74.41 C ATOM 156 CD PRO A 13 -5.776 13.720 -4.970 1.00 24.41 C ATOM 0 HA PRO A 13 -6.361 11.506 -2.647 1.00 62.44 H new ATOM 0 HB2 PRO A 13 -4.280 10.817 -4.238 1.00 53.40 H new ATOM 0 HB3 PRO A 13 -5.898 10.844 -4.908 1.00 53.40 H new ATOM 0 HG2 PRO A 13 -3.731 12.981 -5.121 1.00 74.41 H new ATOM 0 HG3 PRO A 13 -4.792 12.384 -6.382 1.00 74.41 H new ATOM 0 HD2 PRO A 13 -5.329 14.714 -4.995 1.00 24.41 H new ATOM 0 HD3 PRO A 13 -6.602 13.724 -5.682 1.00 24.41 H new ATOM 164 N MET A 14 -4.117 11.382 -1.425 1.00 13.04 N ATOM 165 CA MET A 14 -3.152 11.519 -0.341 1.00 61.22 C ATOM 166 C MET A 14 -1.750 11.781 -0.873 1.00 1.33 C ATOM 167 O MET A 14 -1.374 11.397 -1.984 1.00 42.02 O ATOM 168 CB MET A 14 -3.154 10.271 0.561 1.00 42.02 C ATOM 169 CG MET A 14 -4.542 9.863 1.072 1.00 5.22 C ATOM 170 SD MET A 14 -4.611 8.292 1.974 1.00 11.22 S ATOM 171 CE MET A 14 -3.448 8.580 3.330 1.00 54.42 C ATOM 0 H MET A 14 -4.460 10.430 -1.552 1.00 13.04 H new ATOM 0 HA MET A 14 -3.455 12.380 0.255 1.00 61.22 H new ATOM 0 HB2 MET A 14 -2.724 9.436 0.007 1.00 42.02 H new ATOM 0 HB3 MET A 14 -2.504 10.455 1.417 1.00 42.02 H new ATOM 0 HG2 MET A 14 -4.917 10.653 1.723 1.00 5.22 H new ATOM 0 HG3 MET A 14 -5.220 9.803 0.221 1.00 5.22 H new ATOM 0 HE1 MET A 14 -3.423 7.705 3.980 1.00 54.42 H new ATOM 0 HE2 MET A 14 -2.452 8.759 2.924 1.00 54.42 H new ATOM 0 HE3 MET A 14 -3.767 9.450 3.904 1.00 54.42 H new ATOM 181 N LYS A 15 -0.962 12.463 -0.036 1.00 2.32 N ATOM 182 CA LYS A 15 0.324 13.011 -0.440 1.00 1.42 C ATOM 183 C LYS A 15 1.389 12.608 0.559 1.00 63.53 C ATOM 184 O LYS A 15 1.206 12.723 1.775 1.00 22.45 O ATOM 185 CB LYS A 15 0.241 14.531 -0.574 1.00 4.32 C ATOM 186 CG LYS A 15 -0.949 15.009 -1.407 1.00 11.44 C ATOM 187 CD LYS A 15 -1.201 16.516 -1.306 1.00 1.12 C ATOM 188 CE LYS A 15 -0.014 17.349 -1.776 1.00 54.21 C ATOM 189 NZ LYS A 15 0.192 17.221 -3.233 1.00 3.41 N ATOM 0 H LYS A 15 -1.203 12.647 0.938 1.00 2.32 H new ATOM 0 HA LYS A 15 0.594 12.607 -1.416 1.00 1.42 H new ATOM 0 HB2 LYS A 15 0.178 14.972 0.421 1.00 4.32 H new ATOM 0 HB3 LYS A 15 1.162 14.898 -1.027 1.00 4.32 H new ATOM 0 HG2 LYS A 15 -0.780 14.746 -2.451 1.00 11.44 H new ATOM 0 HG3 LYS A 15 -1.844 14.477 -1.085 1.00 11.44 H new ATOM 0 HD2 LYS A 15 -2.077 16.773 -1.901 1.00 1.12 H new ATOM 0 HD3 LYS A 15 -1.431 16.772 -0.272 1.00 1.12 H new ATOM 0 HE2 LYS A 15 -0.179 18.396 -1.521 1.00 54.21 H new ATOM 0 HE3 LYS A 15 0.886 17.031 -1.251 1.00 54.21 H new ATOM 0 HZ1 LYS A 15 0.975 17.839 -3.529 1.00 3.41 H new ATOM 0 HZ2 LYS A 15 0.423 16.234 -3.466 1.00 3.41 H new ATOM 0 HZ3 LYS A 15 -0.677 17.500 -3.732 1.00 3.41 H new ATOM 203 N TRP A 16 2.523 12.166 0.041 1.00 72.32 N ATOM 204 CA TRP A 16 3.498 11.368 0.781 1.00 50.20 C ATOM 205 C TRP A 16 4.895 11.930 0.592 1.00 51.30 C ATOM 206 O TRP A 16 5.176 12.611 -0.395 1.00 4.44 O ATOM 207 CB TRP A 16 3.424 9.912 0.324 1.00 32.42 C ATOM 208 CG TRP A 16 2.062 9.297 0.345 1.00 11.41 C ATOM 209 CD1 TRP A 16 1.150 9.475 -0.628 1.00 43.43 C ATOM 210 CD2 TRP A 16 1.454 8.355 1.281 1.00 64.43 C ATOM 211 NE1 TRP A 16 0.012 8.766 -0.342 1.00 31.43 N ATOM 212 CE2 TRP A 16 0.135 8.056 0.824 1.00 50.43 C ATOM 213 CE3 TRP A 16 1.895 7.677 2.435 1.00 10.32 C ATOM 214 CZ2 TRP A 16 -0.716 7.159 1.479 1.00 2.25 C ATOM 215 CZ3 TRP A 16 1.056 6.751 3.084 1.00 21.34 C ATOM 216 CH2 TRP A 16 -0.249 6.506 2.627 1.00 61.43 C ATOM 0 H TRP A 16 2.801 12.353 -0.923 1.00 72.32 H new ATOM 0 HA TRP A 16 3.264 11.410 1.845 1.00 50.20 H new ATOM 0 HB2 TRP A 16 3.816 9.848 -0.691 1.00 32.42 H new ATOM 0 HB3 TRP A 16 4.082 9.317 0.958 1.00 32.42 H new ATOM 0 HD1 TRP A 16 1.293 10.087 -1.506 1.00 43.43 H new ATOM 0 HE1 TRP A 16 -0.824 8.767 -0.926 1.00 31.43 H new ATOM 0 HE3 TRP A 16 2.884 7.869 2.825 1.00 10.32 H new ATOM 0 HZ2 TRP A 16 -1.713 6.974 1.107 1.00 2.25 H new ATOM 0 HZ3 TRP A 16 1.423 6.219 3.949 1.00 21.34 H new ATOM 0 HH2 TRP A 16 -0.890 5.817 3.158 1.00 61.43 H new ATOM 227 N SER A 17 5.775 11.651 1.550 1.00 33.51 N ATOM 228 CA SER A 17 7.132 12.181 1.535 1.00 23.21 C ATOM 229 C SER A 17 8.215 11.211 2.032 1.00 23.45 C ATOM 230 O SER A 17 9.334 11.664 2.279 1.00 1.34 O ATOM 231 CB SER A 17 7.118 13.500 2.311 1.00 5.04 C ATOM 232 OG SER A 17 8.147 14.377 1.899 1.00 71.41 O ATOM 0 H SER A 17 5.568 11.056 2.352 1.00 33.51 H new ATOM 0 HA SER A 17 7.423 12.345 0.497 1.00 23.21 H new ATOM 0 HB2 SER A 17 6.153 13.988 2.176 1.00 5.04 H new ATOM 0 HB3 SER A 17 7.225 13.293 3.376 1.00 5.04 H new ATOM 0 HG SER A 17 8.989 13.881 1.825 1.00 71.41 H new ATOM 238 N LYS A 18 7.933 9.906 2.183 1.00 44.01 N ATOM 239 CA LYS A 18 9.008 8.902 2.440 1.00 23.52 C ATOM 240 C LYS A 18 8.939 7.706 1.512 1.00 53.30 C ATOM 241 O LYS A 18 9.418 6.626 1.835 1.00 3.05 O ATOM 242 CB LYS A 18 9.031 8.457 3.905 1.00 25.21 C ATOM 243 CG LYS A 18 9.468 9.639 4.758 1.00 25.31 C ATOM 244 CD LYS A 18 10.946 10.039 4.653 1.00 22.14 C ATOM 245 CE LYS A 18 11.885 8.846 4.884 1.00 2.15 C ATOM 246 NZ LYS A 18 13.308 9.242 4.869 1.00 14.41 N ATOM 0 H LYS A 18 6.992 9.516 2.135 1.00 44.01 H new ATOM 0 HA LYS A 18 9.947 9.412 2.225 1.00 23.52 H new ATOM 0 HB2 LYS A 18 8.044 8.112 4.212 1.00 25.21 H new ATOM 0 HB3 LYS A 18 9.717 7.620 4.037 1.00 25.21 H new ATOM 0 HG2 LYS A 18 8.859 10.501 4.486 1.00 25.31 H new ATOM 0 HG3 LYS A 18 9.248 9.409 5.801 1.00 25.31 H new ATOM 0 HD2 LYS A 18 11.137 10.465 3.668 1.00 22.14 H new ATOM 0 HD3 LYS A 18 11.163 10.818 5.384 1.00 22.14 H new ATOM 0 HE2 LYS A 18 11.650 8.381 5.841 1.00 2.15 H new ATOM 0 HE3 LYS A 18 11.711 8.095 4.114 1.00 2.15 H new ATOM 0 HZ1 LYS A 18 13.903 8.404 5.029 1.00 14.41 H new ATOM 0 HZ2 LYS A 18 13.542 9.662 3.947 1.00 14.41 H new ATOM 0 HZ3 LYS A 18 13.482 9.939 5.621 1.00 14.41 H new ATOM 260 N VAL A 19 8.324 7.921 0.367 1.00 22.43 N ATOM 261 CA VAL A 19 7.972 6.831 -0.556 1.00 70.54 C ATOM 262 C VAL A 19 9.229 6.092 -1.072 1.00 64.20 C ATOM 263 O VAL A 19 10.311 6.692 -1.128 1.00 11.23 O ATOM 264 CB VAL A 19 7.061 7.325 -1.701 1.00 11.14 C ATOM 265 CG1 VAL A 19 5.798 8.003 -1.146 1.00 73.20 C ATOM 266 CG2 VAL A 19 7.764 8.290 -2.660 1.00 12.24 C ATOM 0 H VAL A 19 8.050 8.847 0.040 1.00 22.43 H new ATOM 0 HA VAL A 19 7.392 6.099 0.006 1.00 70.54 H new ATOM 0 HB VAL A 19 6.791 6.433 -2.266 1.00 11.14 H new ATOM 0 HG11 VAL A 19 5.174 8.342 -1.973 1.00 73.20 H new ATOM 0 HG12 VAL A 19 5.240 7.291 -0.538 1.00 73.20 H new ATOM 0 HG13 VAL A 19 6.083 8.858 -0.533 1.00 73.20 H new ATOM 0 HG21 VAL A 19 7.068 8.599 -3.440 1.00 12.24 H new ATOM 0 HG22 VAL A 19 8.104 9.167 -2.109 1.00 12.24 H new ATOM 0 HG23 VAL A 19 8.621 7.792 -3.114 1.00 12.24 H new ATOM 276 N PRO A 20 9.124 4.796 -1.418 1.00 11.11 N ATOM 277 CA PRO A 20 10.254 3.969 -1.823 1.00 22.53 C ATOM 278 C PRO A 20 10.667 4.199 -3.283 1.00 11.03 C ATOM 279 O PRO A 20 10.047 4.956 -4.032 1.00 45.40 O ATOM 280 CB PRO A 20 9.795 2.524 -1.589 1.00 10.05 C ATOM 281 CG PRO A 20 8.287 2.584 -1.751 1.00 53.30 C ATOM 282 CD PRO A 20 7.931 3.981 -1.271 1.00 53.02 C ATOM 0 HA PRO A 20 11.145 4.218 -1.247 1.00 22.53 H new ATOM 0 HB2 PRO A 20 10.246 1.841 -2.309 1.00 10.05 H new ATOM 0 HB3 PRO A 20 10.076 2.172 -0.596 1.00 10.05 H new ATOM 0 HG2 PRO A 20 7.989 2.428 -2.788 1.00 53.30 H new ATOM 0 HG3 PRO A 20 7.789 1.817 -1.157 1.00 53.30 H new ATOM 0 HD2 PRO A 20 7.108 4.392 -1.856 1.00 53.02 H new ATOM 0 HD3 PRO A 20 7.604 3.960 -0.232 1.00 53.02 H new ATOM 290 N SER A 21 11.731 3.505 -3.687 1.00 1.34 N ATOM 291 CA SER A 21 12.285 3.529 -5.032 1.00 11.32 C ATOM 292 C SER A 21 11.430 2.790 -6.059 1.00 3.44 C ATOM 293 O SER A 21 11.384 3.202 -7.216 1.00 23.32 O ATOM 294 CB SER A 21 13.644 2.840 -4.984 1.00 65.12 C ATOM 295 OG SER A 21 14.523 3.541 -4.134 1.00 65.44 O ATOM 0 H SER A 21 12.247 2.889 -3.059 1.00 1.34 H new ATOM 0 HA SER A 21 12.339 4.572 -5.343 1.00 11.32 H new ATOM 0 HB2 SER A 21 13.527 1.816 -4.631 1.00 65.12 H new ATOM 0 HB3 SER A 21 14.066 2.785 -5.987 1.00 65.12 H new ATOM 0 HG SER A 21 15.390 3.085 -4.113 1.00 65.44 H new ATOM 301 N GLY A 22 10.800 1.677 -5.678 1.00 33.52 N ATOM 302 CA GLY A 22 10.086 0.835 -6.628 1.00 72.22 C ATOM 303 C GLY A 22 8.714 1.391 -6.975 1.00 71.20 C ATOM 304 O GLY A 22 8.119 0.911 -7.937 1.00 3.23 O ATOM 0 H GLY A 22 10.772 1.341 -4.715 1.00 33.52 H new ATOM 0 HA2 GLY A 22 10.677 0.737 -7.539 1.00 72.22 H new ATOM 0 HA3 GLY A 22 9.975 -0.166 -6.211 1.00 72.22 H new ATOM 308 N LEU A 23 8.234 2.388 -6.220 1.00 71.21 N ATOM 309 CA LEU A 23 7.073 3.197 -6.547 1.00 31.52 C ATOM 310 C LEU A 23 7.251 3.803 -7.931 1.00 50.32 C ATOM 311 O LEU A 23 8.115 4.651 -8.146 1.00 54.24 O ATOM 312 CB LEU A 23 6.842 4.280 -5.483 1.00 14.13 C ATOM 313 CG LEU A 23 5.593 5.131 -5.821 1.00 3.13 C ATOM 314 CD1 LEU A 23 4.648 5.188 -4.623 1.00 41.03 C ATOM 315 CD2 LEU A 23 5.957 6.560 -6.237 1.00 13.05 C ATOM 0 H LEU A 23 8.665 2.656 -5.335 1.00 71.21 H new ATOM 0 HA LEU A 23 6.186 2.564 -6.557 1.00 31.52 H new ATOM 0 HB2 LEU A 23 6.716 3.814 -4.506 1.00 14.13 H new ATOM 0 HB3 LEU A 23 7.719 4.924 -5.418 1.00 14.13 H new ATOM 0 HG LEU A 23 5.102 4.646 -6.665 1.00 3.13 H new ATOM 0 HD11 LEU A 23 3.775 5.790 -4.876 1.00 41.03 H new ATOM 0 HD12 LEU A 23 4.330 4.179 -4.362 1.00 41.03 H new ATOM 0 HD13 LEU A 23 5.164 5.636 -3.774 1.00 41.03 H new ATOM 0 HD21 LEU A 23 5.047 7.116 -6.464 1.00 13.05 H new ATOM 0 HD22 LEU A 23 6.489 7.052 -5.423 1.00 13.05 H new ATOM 0 HD23 LEU A 23 6.594 6.531 -7.121 1.00 13.05 H new ATOM 327 N LYS A 24 6.407 3.357 -8.849 1.00 42.44 N ATOM 328 CA LYS A 24 6.354 3.752 -10.241 1.00 12.12 C ATOM 329 C LYS A 24 4.890 4.065 -10.494 1.00 2.32 C ATOM 330 O LYS A 24 4.094 3.162 -10.757 1.00 12.22 O ATOM 331 CB LYS A 24 6.894 2.601 -11.107 1.00 5.05 C ATOM 332 CG LYS A 24 8.424 2.460 -10.988 1.00 2.01 C ATOM 333 CD LYS A 24 8.914 1.037 -11.280 1.00 43.20 C ATOM 334 CE LYS A 24 10.442 1.004 -11.150 1.00 31.42 C ATOM 335 NZ LYS A 24 10.984 -0.360 -11.315 1.00 45.10 N ATOM 0 H LYS A 24 5.695 2.663 -8.622 1.00 42.44 H new ATOM 0 HA LYS A 24 6.967 4.619 -10.488 1.00 12.12 H new ATOM 0 HB2 LYS A 24 6.419 1.667 -10.806 1.00 5.05 H new ATOM 0 HB3 LYS A 24 6.626 2.774 -12.149 1.00 5.05 H new ATOM 0 HG2 LYS A 24 8.903 3.153 -11.679 1.00 2.01 H new ATOM 0 HG3 LYS A 24 8.734 2.747 -9.983 1.00 2.01 H new ATOM 0 HD2 LYS A 24 8.461 0.331 -10.584 1.00 43.20 H new ATOM 0 HD3 LYS A 24 8.614 0.733 -12.283 1.00 43.20 H new ATOM 0 HE2 LYS A 24 10.883 1.662 -11.898 1.00 31.42 H new ATOM 0 HE3 LYS A 24 10.731 1.393 -10.174 1.00 31.42 H new ATOM 0 HZ1 LYS A 24 12.019 -0.336 -11.220 1.00 45.10 H new ATOM 0 HZ2 LYS A 24 10.583 -0.983 -10.585 1.00 45.10 H new ATOM 0 HZ3 LYS A 24 10.731 -0.722 -12.257 1.00 45.10 H new ATOM 349 N ASN A 25 4.498 5.329 -10.299 1.00 65.34 N ATOM 350 CA ASN A 25 3.117 5.815 -10.429 1.00 54.04 C ATOM 351 C ASN A 25 2.110 5.092 -9.510 1.00 74.23 C ATOM 352 O ASN A 25 0.905 5.151 -9.755 1.00 12.21 O ATOM 353 CB ASN A 25 2.699 5.742 -11.910 1.00 5.23 C ATOM 354 CG ASN A 25 1.602 6.722 -12.286 1.00 71.31 C ATOM 355 OD1 ASN A 25 1.894 7.818 -12.749 1.00 3.25 O ATOM 356 ND2 ASN A 25 0.341 6.342 -12.193 1.00 44.03 N ATOM 0 H ASN A 25 5.153 6.066 -10.038 1.00 65.34 H new ATOM 0 HA ASN A 25 3.098 6.851 -10.090 1.00 54.04 H new ATOM 0 HB2 ASN A 25 3.572 5.932 -12.534 1.00 5.23 H new ATOM 0 HB3 ASN A 25 2.361 4.730 -12.133 1.00 5.23 H new ATOM 0 HD21 ASN A 25 -0.404 6.964 -12.509 1.00 44.03 H new ATOM 0 HD22 ASN A 25 0.111 5.427 -11.806 1.00 44.03 H new ATOM 363 N GLY A 26 2.576 4.384 -8.476 1.00 12.41 N ATOM 364 CA GLY A 26 1.749 3.610 -7.551 1.00 21.23 C ATOM 365 C GLY A 26 1.900 2.099 -7.744 1.00 44.31 C ATOM 366 O GLY A 26 1.606 1.336 -6.823 1.00 23.25 O ATOM 0 H GLY A 26 3.570 4.334 -8.255 1.00 12.41 H new ATOM 0 HA2 GLY A 26 2.017 3.870 -6.527 1.00 21.23 H new ATOM 0 HA3 GLY A 26 0.703 3.887 -7.687 1.00 21.23 H new ATOM 370 N GLU A 27 2.423 1.641 -8.884 1.00 13.41 N ATOM 371 CA GLU A 27 2.842 0.257 -9.062 1.00 21.54 C ATOM 372 C GLU A 27 4.151 0.091 -8.281 1.00 24.51 C ATOM 373 O GLU A 27 4.984 0.999 -8.298 1.00 30.23 O ATOM 374 CB GLU A 27 3.031 -0.048 -10.561 1.00 42.33 C ATOM 375 CG GLU A 27 2.841 -1.539 -10.878 1.00 71.21 C ATOM 376 CD GLU A 27 3.257 -1.885 -12.315 1.00 74.32 C ATOM 377 OE1 GLU A 27 2.420 -1.743 -13.239 1.00 11.02 O ATOM 378 OE2 GLU A 27 4.400 -2.351 -12.542 1.00 1.05 O ATOM 0 H GLU A 27 2.566 2.224 -9.709 1.00 13.41 H new ATOM 0 HA GLU A 27 2.093 -0.443 -8.691 1.00 21.54 H new ATOM 0 HB2 GLU A 27 2.319 0.539 -11.142 1.00 42.33 H new ATOM 0 HB3 GLU A 27 4.029 0.263 -10.870 1.00 42.33 H new ATOM 0 HG2 GLU A 27 3.427 -2.135 -10.179 1.00 71.21 H new ATOM 0 HG3 GLU A 27 1.796 -1.810 -10.729 1.00 71.21 H new ATOM 385 N LEU A 28 4.349 -1.019 -7.563 1.00 54.23 N ATOM 386 CA LEU A 28 5.598 -1.316 -6.859 1.00 74.41 C ATOM 387 C LEU A 28 6.049 -2.704 -7.283 1.00 32.21 C ATOM 388 O LEU A 28 5.483 -3.718 -6.867 1.00 72.11 O ATOM 389 CB LEU A 28 5.512 -1.185 -5.323 1.00 21.51 C ATOM 390 CG LEU A 28 5.586 0.270 -4.814 1.00 44.04 C ATOM 391 CD1 LEU A 28 4.320 1.121 -4.972 1.00 41.00 C ATOM 392 CD2 LEU A 28 5.922 0.362 -3.329 1.00 14.01 C ATOM 0 H LEU A 28 3.639 -1.743 -7.454 1.00 54.23 H new ATOM 0 HA LEU A 28 6.334 -0.563 -7.142 1.00 74.41 H new ATOM 0 HB2 LEU A 28 4.578 -1.632 -4.982 1.00 21.51 H new ATOM 0 HB3 LEU A 28 6.323 -1.758 -4.873 1.00 21.51 H new ATOM 0 HG LEU A 28 6.369 0.663 -5.462 1.00 44.04 H new ATOM 0 HD11 LEU A 28 4.502 2.120 -4.577 1.00 41.00 H new ATOM 0 HD12 LEU A 28 4.058 1.190 -6.028 1.00 41.00 H new ATOM 0 HD13 LEU A 28 3.500 0.658 -4.424 1.00 41.00 H new ATOM 0 HD21 LEU A 28 5.960 1.409 -3.029 1.00 14.01 H new ATOM 0 HD22 LEU A 28 5.156 -0.154 -2.750 1.00 14.01 H new ATOM 0 HD23 LEU A 28 6.890 -0.104 -3.146 1.00 14.01 H new ATOM 404 N LYS A 29 7.058 -2.755 -8.150 1.00 44.43 N ATOM 405 CA LYS A 29 7.598 -4.017 -8.638 1.00 42.22 C ATOM 406 C LYS A 29 8.540 -4.609 -7.600 1.00 44.01 C ATOM 407 O LYS A 29 9.479 -3.935 -7.161 1.00 24.54 O ATOM 408 CB LYS A 29 8.291 -3.795 -9.987 1.00 30.52 C ATOM 409 CG LYS A 29 8.902 -5.073 -10.578 1.00 50.10 C ATOM 410 CD LYS A 29 7.834 -6.126 -10.921 1.00 54.21 C ATOM 411 CE LYS A 29 7.938 -6.619 -12.370 1.00 24.11 C ATOM 412 NZ LYS A 29 7.694 -5.526 -13.336 1.00 25.24 N ATOM 0 H LYS A 29 7.520 -1.929 -8.530 1.00 44.43 H new ATOM 0 HA LYS A 29 6.792 -4.733 -8.796 1.00 42.22 H new ATOM 0 HB2 LYS A 29 7.570 -3.386 -10.694 1.00 30.52 H new ATOM 0 HB3 LYS A 29 9.076 -3.049 -9.865 1.00 30.52 H new ATOM 0 HG2 LYS A 29 9.464 -4.822 -11.478 1.00 50.10 H new ATOM 0 HG3 LYS A 29 9.611 -5.496 -9.867 1.00 50.10 H new ATOM 0 HD2 LYS A 29 7.935 -6.974 -10.244 1.00 54.21 H new ATOM 0 HD3 LYS A 29 6.844 -5.702 -10.755 1.00 54.21 H new ATOM 0 HE2 LYS A 29 8.928 -7.042 -12.541 1.00 24.11 H new ATOM 0 HE3 LYS A 29 7.217 -7.419 -12.535 1.00 24.11 H new ATOM 0 HZ1 LYS A 29 7.437 -5.930 -14.259 1.00 25.24 H new ATOM 0 HZ2 LYS A 29 6.918 -4.926 -12.992 1.00 25.24 H new ATOM 0 HZ3 LYS A 29 8.556 -4.953 -13.437 1.00 25.24 H new ATOM 426 N VAL A 30 8.313 -5.871 -7.254 1.00 54.02 N ATOM 427 CA VAL A 30 9.045 -6.642 -6.266 1.00 4.42 C ATOM 428 C VAL A 30 9.463 -7.935 -6.943 1.00 73.24 C ATOM 429 O VAL A 30 8.735 -8.486 -7.775 1.00 2.02 O ATOM 430 CB VAL A 30 8.144 -6.908 -5.046 1.00 12.01 C ATOM 431 CG1 VAL A 30 8.932 -7.430 -3.844 1.00 24.12 C ATOM 432 CG2 VAL A 30 7.391 -5.643 -4.587 1.00 63.30 C ATOM 0 H VAL A 30 7.565 -6.414 -7.685 1.00 54.02 H new ATOM 0 HA VAL A 30 9.925 -6.109 -5.905 1.00 4.42 H new ATOM 0 HB VAL A 30 7.434 -7.663 -5.384 1.00 12.01 H new ATOM 0 HG11 VAL A 30 8.252 -7.602 -3.010 1.00 24.12 H new ATOM 0 HG12 VAL A 30 9.424 -8.366 -4.110 1.00 24.12 H new ATOM 0 HG13 VAL A 30 9.683 -6.695 -3.554 1.00 24.12 H new ATOM 0 HG21 VAL A 30 6.769 -5.883 -3.724 1.00 63.30 H new ATOM 0 HG22 VAL A 30 8.110 -4.871 -4.313 1.00 63.30 H new ATOM 0 HG23 VAL A 30 6.761 -5.280 -5.399 1.00 63.30 H new ATOM 442 N GLU A 31 10.647 -8.417 -6.583 1.00 5.33 N ATOM 443 CA GLU A 31 11.109 -9.700 -7.081 1.00 74.33 C ATOM 444 C GLU A 31 10.447 -10.823 -6.277 1.00 50.04 C ATOM 445 O GLU A 31 9.765 -10.584 -5.274 1.00 14.44 O ATOM 446 CB GLU A 31 12.638 -9.758 -7.032 1.00 33.35 C ATOM 447 CG GLU A 31 13.179 -9.791 -5.602 1.00 31.43 C ATOM 448 CD GLU A 31 14.692 -9.632 -5.600 1.00 52.20 C ATOM 449 OE1 GLU A 31 15.365 -10.499 -6.202 1.00 70.31 O ATOM 450 OE2 GLU A 31 15.146 -8.613 -5.032 1.00 43.22 O ATOM 0 H GLU A 31 11.296 -7.942 -5.955 1.00 5.33 H new ATOM 0 HA GLU A 31 10.821 -9.831 -8.124 1.00 74.33 H new ATOM 0 HB2 GLU A 31 12.982 -10.643 -7.567 1.00 33.35 H new ATOM 0 HB3 GLU A 31 13.048 -8.892 -7.552 1.00 33.35 H new ATOM 0 HG2 GLU A 31 12.723 -8.993 -5.016 1.00 31.43 H new ATOM 0 HG3 GLU A 31 12.906 -10.732 -5.125 1.00 31.43 H new ATOM 457 N ALA A 32 10.701 -12.064 -6.683 1.00 5.33 N ATOM 458 CA ALA A 32 10.158 -13.249 -6.045 1.00 70.52 C ATOM 459 C ALA A 32 10.655 -13.478 -4.613 1.00 63.50 C ATOM 460 O ALA A 32 10.182 -14.410 -3.982 1.00 73.53 O ATOM 461 CB ALA A 32 10.500 -14.450 -6.918 1.00 12.33 C ATOM 0 H ALA A 32 11.302 -12.273 -7.480 1.00 5.33 H new ATOM 0 HA ALA A 32 9.081 -13.108 -5.953 1.00 70.52 H new ATOM 0 HB1 ALA A 32 10.103 -15.357 -6.461 1.00 12.33 H new ATOM 0 HB2 ALA A 32 10.059 -14.319 -7.906 1.00 12.33 H new ATOM 0 HB3 ALA A 32 11.583 -14.535 -7.012 1.00 12.33 H new ATOM 467 N GLU A 33 11.570 -12.667 -4.083 1.00 50.43 N ATOM 468 CA GLU A 33 12.142 -12.810 -2.740 1.00 71.43 C ATOM 469 C GLU A 33 11.554 -11.793 -1.770 1.00 24.51 C ATOM 470 O GLU A 33 11.682 -11.921 -0.556 1.00 42.23 O ATOM 471 CB GLU A 33 13.658 -12.679 -2.792 1.00 42.30 C ATOM 472 CG GLU A 33 14.244 -13.706 -3.766 1.00 24.52 C ATOM 473 CD GLU A 33 15.358 -14.533 -3.127 1.00 50.22 C ATOM 474 OE1 GLU A 33 15.060 -15.344 -2.217 1.00 70.42 O ATOM 475 OE2 GLU A 33 16.521 -14.410 -3.565 1.00 54.42 O ATOM 0 H GLU A 33 11.947 -11.867 -4.591 1.00 50.43 H new ATOM 0 HA GLU A 33 11.885 -13.804 -2.374 1.00 71.43 H new ATOM 0 HB2 GLU A 33 13.933 -11.672 -3.105 1.00 42.30 H new ATOM 0 HB3 GLU A 33 14.078 -12.829 -1.797 1.00 42.30 H new ATOM 0 HG2 GLU A 33 13.452 -14.371 -4.111 1.00 24.52 H new ATOM 0 HG3 GLU A 33 14.633 -13.191 -4.644 1.00 24.52 H new ATOM 482 N GLY A 34 10.875 -10.797 -2.317 1.00 71.33 N ATOM 483 CA GLY A 34 10.231 -9.765 -1.555 1.00 70.44 C ATOM 484 C GLY A 34 11.209 -8.634 -1.252 1.00 13.14 C ATOM 485 O GLY A 34 12.371 -8.652 -1.668 1.00 53.11 O ATOM 0 H GLY A 34 10.760 -10.691 -3.325 1.00 71.33 H new ATOM 0 HA2 GLY A 34 9.376 -9.376 -2.108 1.00 70.44 H new ATOM 0 HA3 GLY A 34 9.846 -10.180 -0.623 1.00 70.44 H new ATOM 489 N GLY A 35 10.696 -7.644 -0.535 1.00 25.24 N ATOM 490 CA GLY A 35 11.430 -6.604 0.165 1.00 70.50 C ATOM 491 C GLY A 35 10.465 -5.806 1.045 1.00 71.53 C ATOM 492 O GLY A 35 9.314 -6.205 1.242 1.00 63.10 O ATOM 0 H GLY A 35 9.688 -7.541 -0.421 1.00 25.24 H new ATOM 0 HA2 GLY A 35 12.216 -7.047 0.777 1.00 70.50 H new ATOM 0 HA3 GLY A 35 11.918 -5.943 -0.551 1.00 70.50 H new ATOM 496 N SER A 36 10.919 -4.681 1.593 1.00 22.42 N ATOM 497 CA SER A 36 10.166 -3.879 2.554 1.00 10.45 C ATOM 498 C SER A 36 10.098 -2.426 2.068 1.00 31.55 C ATOM 499 O SER A 36 10.921 -2.013 1.246 1.00 45.20 O ATOM 500 CB SER A 36 10.787 -4.064 3.947 1.00 65.12 C ATOM 501 OG SER A 36 12.210 -4.096 3.914 1.00 11.43 O ATOM 0 H SER A 36 11.838 -4.294 1.377 1.00 22.42 H new ATOM 0 HA SER A 36 9.130 -4.208 2.635 1.00 10.45 H new ATOM 0 HB2 SER A 36 10.461 -3.252 4.597 1.00 65.12 H new ATOM 0 HB3 SER A 36 10.417 -4.991 4.385 1.00 65.12 H new ATOM 0 HG SER A 36 12.556 -4.214 4.823 1.00 11.43 H new ATOM 507 N SER A 37 9.107 -1.650 2.520 1.00 1.11 N ATOM 508 CA SER A 37 8.830 -0.312 2.029 1.00 31.12 C ATOM 509 C SER A 37 8.170 0.521 3.132 1.00 23.21 C ATOM 510 O SER A 37 7.411 -0.015 3.949 1.00 50.31 O ATOM 511 CB SER A 37 7.948 -0.422 0.778 1.00 45.00 C ATOM 512 OG SER A 37 6.874 -1.336 0.933 1.00 53.44 O ATOM 0 H SER A 37 8.465 -1.949 3.254 1.00 1.11 H new ATOM 0 HA SER A 37 9.753 0.197 1.753 1.00 31.12 H new ATOM 0 HB2 SER A 37 7.547 0.562 0.535 1.00 45.00 H new ATOM 0 HB3 SER A 37 8.563 -0.733 -0.067 1.00 45.00 H new ATOM 0 HG SER A 37 6.922 -1.749 1.820 1.00 53.44 H new ATOM 518 N LEU A 38 8.460 1.822 3.158 1.00 22.41 N ATOM 519 CA LEU A 38 7.966 2.795 4.131 1.00 5.22 C ATOM 520 C LEU A 38 7.237 3.904 3.364 1.00 14.24 C ATOM 521 O LEU A 38 7.644 4.230 2.247 1.00 23.52 O ATOM 522 CB LEU A 38 9.181 3.338 4.918 1.00 11.44 C ATOM 523 CG LEU A 38 8.813 4.357 6.008 1.00 61.51 C ATOM 524 CD1 LEU A 38 7.976 3.698 7.116 1.00 72.24 C ATOM 525 CD2 LEU A 38 10.033 5.024 6.645 1.00 45.12 C ATOM 0 H LEU A 38 9.077 2.247 2.466 1.00 22.41 H new ATOM 0 HA LEU A 38 7.266 2.353 4.840 1.00 5.22 H new ATOM 0 HB2 LEU A 38 9.706 2.501 5.379 1.00 11.44 H new ATOM 0 HB3 LEU A 38 9.875 3.804 4.219 1.00 11.44 H new ATOM 0 HG LEU A 38 8.233 5.130 5.504 1.00 61.51 H new ATOM 0 HD11 LEU A 38 7.729 4.440 7.875 1.00 72.24 H new ATOM 0 HD12 LEU A 38 7.057 3.296 6.688 1.00 72.24 H new ATOM 0 HD13 LEU A 38 8.548 2.889 7.572 1.00 72.24 H new ATOM 0 HD21 LEU A 38 9.705 5.732 7.406 1.00 45.12 H new ATOM 0 HD22 LEU A 38 10.665 4.264 7.105 1.00 45.12 H new ATOM 0 HD23 LEU A 38 10.600 5.552 5.879 1.00 45.12 H new ATOM 537 N PHE A 39 6.185 4.497 3.930 1.00 74.40 N ATOM 538 CA PHE A 39 5.394 5.536 3.282 1.00 51.22 C ATOM 539 C PHE A 39 4.907 6.519 4.342 1.00 62.24 C ATOM 540 O PHE A 39 3.995 6.202 5.107 1.00 2.34 O ATOM 541 CB PHE A 39 4.197 4.930 2.535 1.00 2.04 C ATOM 542 CG PHE A 39 4.521 3.786 1.608 1.00 23.43 C ATOM 543 CD1 PHE A 39 4.533 2.474 2.117 1.00 62.52 C ATOM 544 CD2 PHE A 39 4.754 4.020 0.240 1.00 70.52 C ATOM 545 CE1 PHE A 39 4.787 1.395 1.260 1.00 24.25 C ATOM 546 CE2 PHE A 39 4.997 2.934 -0.618 1.00 63.42 C ATOM 547 CZ PHE A 39 5.029 1.624 -0.103 1.00 64.32 C ATOM 0 H PHE A 39 5.856 4.263 4.867 1.00 74.40 H new ATOM 0 HA PHE A 39 6.016 6.054 2.552 1.00 51.22 H new ATOM 0 HB2 PHE A 39 3.470 4.584 3.270 1.00 2.04 H new ATOM 0 HB3 PHE A 39 3.715 5.718 1.956 1.00 2.04 H new ATOM 0 HD1 PHE A 39 4.347 2.299 3.166 1.00 62.52 H new ATOM 0 HD2 PHE A 39 4.746 5.028 -0.148 1.00 70.52 H new ATOM 0 HE1 PHE A 39 4.797 0.387 1.648 1.00 24.25 H new ATOM 0 HE2 PHE A 39 5.159 3.104 -1.672 1.00 63.42 H new ATOM 0 HZ PHE A 39 5.241 0.793 -0.759 1.00 64.32 H new ATOM 557 N ALA A 40 5.498 7.713 4.379 1.00 5.42 N ATOM 558 CA ALA A 40 5.107 8.747 5.333 1.00 24.22 C ATOM 559 C ALA A 40 4.098 9.615 4.623 1.00 45.33 C ATOM 560 O ALA A 40 4.450 10.225 3.605 1.00 61.43 O ATOM 561 CB ALA A 40 6.274 9.609 5.824 1.00 13.02 C ATOM 0 H ALA A 40 6.255 7.988 3.753 1.00 5.42 H new ATOM 0 HA ALA A 40 4.706 8.269 6.227 1.00 24.22 H new ATOM 0 HB1 ALA A 40 5.905 10.354 6.529 1.00 13.02 H new ATOM 0 HB2 ALA A 40 7.011 8.976 6.318 1.00 13.02 H new ATOM 0 HB3 ALA A 40 6.738 10.111 4.975 1.00 13.02 H new ATOM 567 N CYS A 41 2.862 9.650 5.102 1.00 73.12 N ATOM 568 CA CYS A 41 1.877 10.557 4.567 1.00 24.14 C ATOM 569 C CYS A 41 2.226 11.920 5.145 1.00 43.14 C ATOM 570 O CYS A 41 2.213 12.127 6.361 1.00 23.14 O ATOM 571 CB CYS A 41 0.457 10.106 4.899 1.00 5.43 C ATOM 572 SG CYS A 41 -0.622 10.824 3.634 1.00 24.34 S ATOM 0 H CYS A 41 2.525 9.057 5.861 1.00 73.12 H new ATOM 0 HA CYS A 41 1.897 10.589 3.478 1.00 24.14 H new ATOM 0 HB2 CYS A 41 0.385 9.018 4.898 1.00 5.43 H new ATOM 0 HB3 CYS A 41 0.166 10.443 5.894 1.00 5.43 H new ATOM 0 HG CYS A 41 0.071 11.618 2.873 1.00 24.34 H new ATOM 578 N LYS A 42 2.620 12.848 4.274 1.00 21.53 N ATOM 579 CA LYS A 42 2.919 14.199 4.720 1.00 32.22 C ATOM 580 C LYS A 42 1.616 14.927 5.034 1.00 53.44 C ATOM 581 O LYS A 42 1.604 15.845 5.845 1.00 24.22 O ATOM 582 CB LYS A 42 3.732 14.952 3.654 1.00 14.32 C ATOM 583 CG LYS A 42 4.566 16.055 4.323 1.00 22.24 C ATOM 584 CD LYS A 42 4.750 17.332 3.499 1.00 41.14 C ATOM 585 CE LYS A 42 5.860 18.148 4.178 1.00 73.41 C ATOM 586 NZ LYS A 42 5.620 19.602 4.167 1.00 2.04 N ATOM 0 H LYS A 42 2.737 12.689 3.273 1.00 21.53 H new ATOM 0 HA LYS A 42 3.525 14.156 5.625 1.00 32.22 H new ATOM 0 HB2 LYS A 42 4.386 14.259 3.124 1.00 14.32 H new ATOM 0 HB3 LYS A 42 3.062 15.388 2.913 1.00 14.32 H new ATOM 0 HG2 LYS A 42 4.095 16.319 5.270 1.00 22.24 H new ATOM 0 HG3 LYS A 42 5.550 15.650 4.558 1.00 22.24 H new ATOM 0 HD2 LYS A 42 5.022 17.092 2.471 1.00 41.14 H new ATOM 0 HD3 LYS A 42 3.822 17.902 3.459 1.00 41.14 H new ATOM 0 HE2 LYS A 42 5.964 17.814 5.210 1.00 73.41 H new ATOM 0 HE3 LYS A 42 6.807 17.942 3.679 1.00 73.41 H new ATOM 0 HZ1 LYS A 42 6.408 20.088 4.641 1.00 2.04 H new ATOM 0 HZ2 LYS A 42 5.549 19.935 3.184 1.00 2.04 H new ATOM 0 HZ3 LYS A 42 4.733 19.811 4.668 1.00 2.04 H new ATOM 600 N ASN A 43 0.512 14.524 4.401 1.00 70.14 N ATOM 601 CA ASN A 43 -0.667 15.376 4.201 1.00 30.53 C ATOM 602 C ASN A 43 -1.908 14.837 4.913 1.00 4.42 C ATOM 603 O ASN A 43 -2.951 15.483 4.904 1.00 42.14 O ATOM 604 CB ASN A 43 -0.880 15.501 2.691 1.00 34.13 C ATOM 605 CG ASN A 43 -2.146 16.247 2.283 1.00 65.21 C ATOM 606 OD1 ASN A 43 -2.204 17.469 2.354 1.00 52.01 O ATOM 607 ND2 ASN A 43 -3.125 15.547 1.739 1.00 13.03 N ATOM 0 H ASN A 43 0.408 13.588 4.008 1.00 70.14 H new ATOM 0 HA ASN A 43 -0.496 16.357 4.645 1.00 30.53 H new ATOM 0 HB2 ASN A 43 -0.019 16.011 2.258 1.00 34.13 H new ATOM 0 HB3 ASN A 43 -0.909 14.501 2.258 1.00 34.13 H new ATOM 0 HD21 ASN A 43 -3.948 16.023 1.369 1.00 13.03 H new ATOM 0 HD22 ASN A 43 -3.058 14.530 1.689 1.00 13.03 H new ATOM 614 N TYR A 44 -1.799 13.666 5.537 1.00 71.42 N ATOM 615 CA TYR A 44 -2.840 13.054 6.340 1.00 13.25 C ATOM 616 C TYR A 44 -2.182 12.410 7.560 1.00 63.20 C ATOM 617 O TYR A 44 -1.004 12.050 7.490 1.00 33.53 O ATOM 618 CB TYR A 44 -3.599 12.048 5.461 1.00 44.12 C ATOM 619 CG TYR A 44 -4.755 12.691 4.727 1.00 33.24 C ATOM 620 CD1 TYR A 44 -5.852 13.142 5.473 1.00 4.04 C ATOM 621 CD2 TYR A 44 -4.720 12.910 3.337 1.00 71.22 C ATOM 622 CE1 TYR A 44 -6.899 13.829 4.857 1.00 11.12 C ATOM 623 CE2 TYR A 44 -5.773 13.597 2.700 1.00 42.41 C ATOM 624 CZ TYR A 44 -6.870 14.062 3.469 1.00 2.13 C ATOM 625 OH TYR A 44 -7.908 14.745 2.917 1.00 34.12 O ATOM 0 H TYR A 44 -0.950 13.102 5.492 1.00 71.42 H new ATOM 0 HA TYR A 44 -3.567 13.780 6.704 1.00 13.25 H new ATOM 0 HB2 TYR A 44 -2.912 11.608 4.739 1.00 44.12 H new ATOM 0 HB3 TYR A 44 -3.973 11.234 6.082 1.00 44.12 H new ATOM 0 HD1 TYR A 44 -5.888 12.956 6.536 1.00 4.04 H new ATOM 0 HD2 TYR A 44 -3.883 12.550 2.757 1.00 71.22 H new ATOM 0 HE1 TYR A 44 -7.733 14.182 5.446 1.00 11.12 H new ATOM 0 HE2 TYR A 44 -5.745 13.768 1.634 1.00 42.41 H new ATOM 0 HH TYR A 44 -7.762 14.838 1.952 1.00 34.12 H new ATOM 635 N LYS A 45 -2.914 12.299 8.674 1.00 32.53 N ATOM 636 CA LYS A 45 -2.465 11.806 9.987 1.00 74.20 C ATOM 637 C LYS A 45 -3.591 11.010 10.659 1.00 14.44 C ATOM 638 O LYS A 45 -3.795 11.043 11.874 1.00 62.50 O ATOM 639 CB LYS A 45 -1.992 13.009 10.823 1.00 51.12 C ATOM 640 CG LYS A 45 -0.479 13.199 10.666 1.00 72.51 C ATOM 641 CD LYS A 45 -0.055 14.649 10.913 1.00 14.42 C ATOM 642 CE LYS A 45 1.407 14.873 10.517 1.00 64.42 C ATOM 643 NZ LYS A 45 1.781 16.295 10.655 1.00 21.34 N ATOM 0 H LYS A 45 -3.898 12.567 8.687 1.00 32.53 H new ATOM 0 HA LYS A 45 -1.624 11.120 9.884 1.00 74.20 H new ATOM 0 HB2 LYS A 45 -2.514 13.911 10.504 1.00 51.12 H new ATOM 0 HB3 LYS A 45 -2.239 12.852 11.873 1.00 51.12 H new ATOM 0 HG2 LYS A 45 0.043 12.545 11.364 1.00 72.51 H new ATOM 0 HG3 LYS A 45 -0.178 12.899 9.662 1.00 72.51 H new ATOM 0 HD2 LYS A 45 -0.696 15.321 10.342 1.00 14.42 H new ATOM 0 HD3 LYS A 45 -0.191 14.896 11.966 1.00 14.42 H new ATOM 0 HE2 LYS A 45 2.055 14.260 11.144 1.00 64.42 H new ATOM 0 HE3 LYS A 45 1.562 14.551 9.487 1.00 64.42 H new ATOM 0 HZ1 LYS A 45 2.776 16.420 10.381 1.00 21.34 H new ATOM 0 HZ2 LYS A 45 1.176 16.874 10.038 1.00 21.34 H new ATOM 0 HZ3 LYS A 45 1.654 16.593 11.643 1.00 21.34 H new ATOM 657 N SER A 46 -4.404 10.376 9.834 1.00 44.34 N ATOM 658 CA SER A 46 -5.483 9.457 10.133 1.00 21.45 C ATOM 659 C SER A 46 -5.877 8.912 8.766 1.00 5.35 C ATOM 660 O SER A 46 -6.034 9.691 7.824 1.00 30.45 O ATOM 661 CB SER A 46 -6.655 10.179 10.812 1.00 62.32 C ATOM 662 OG SER A 46 -6.425 10.346 12.198 1.00 23.55 O ATOM 0 H SER A 46 -4.312 10.509 8.827 1.00 44.34 H new ATOM 0 HA SER A 46 -5.191 8.671 10.829 1.00 21.45 H new ATOM 0 HB2 SER A 46 -6.803 11.153 10.346 1.00 62.32 H new ATOM 0 HB3 SER A 46 -7.572 9.610 10.660 1.00 62.32 H new ATOM 0 HG SER A 46 -5.493 10.611 12.345 1.00 23.55 H new ATOM 668 N PHE A 47 -5.911 7.592 8.625 1.00 1.34 N ATOM 669 CA PHE A 47 -6.294 6.865 7.421 1.00 10.42 C ATOM 670 C PHE A 47 -6.370 5.386 7.780 1.00 45.04 C ATOM 671 O PHE A 47 -5.878 4.979 8.844 1.00 43.44 O ATOM 672 CB PHE A 47 -5.324 7.109 6.246 1.00 45.01 C ATOM 673 CG PHE A 47 -3.877 6.714 6.457 1.00 22.13 C ATOM 674 CD1 PHE A 47 -3.030 7.514 7.248 1.00 53.44 C ATOM 675 CD2 PHE A 47 -3.353 5.589 5.793 1.00 34.42 C ATOM 676 CE1 PHE A 47 -1.684 7.161 7.416 1.00 70.52 C ATOM 677 CE2 PHE A 47 -1.997 5.254 5.934 1.00 54.40 C ATOM 678 CZ PHE A 47 -1.172 6.026 6.768 1.00 33.42 C ATOM 0 H PHE A 47 -5.658 6.966 9.390 1.00 1.34 H new ATOM 0 HA PHE A 47 -7.263 7.226 7.076 1.00 10.42 H new ATOM 0 HB2 PHE A 47 -5.700 6.568 5.378 1.00 45.01 H new ATOM 0 HB3 PHE A 47 -5.353 8.170 5.997 1.00 45.01 H new ATOM 0 HD1 PHE A 47 -3.418 8.401 7.726 1.00 53.44 H new ATOM 0 HD2 PHE A 47 -3.996 4.982 5.173 1.00 34.42 H new ATOM 0 HE1 PHE A 47 -1.042 7.761 8.043 1.00 70.52 H new ATOM 0 HE2 PHE A 47 -1.590 4.406 5.403 1.00 54.40 H new ATOM 0 HZ PHE A 47 -0.139 5.745 6.911 1.00 33.42 H new ATOM 688 N TRP A 48 -6.993 4.591 6.912 1.00 42.31 N ATOM 689 CA TRP A 48 -7.312 3.208 7.206 1.00 12.32 C ATOM 690 C TRP A 48 -7.233 2.297 5.996 1.00 30.21 C ATOM 691 O TRP A 48 -7.060 2.733 4.860 1.00 12.32 O ATOM 692 CB TRP A 48 -8.717 3.134 7.817 1.00 12.24 C ATOM 693 CG TRP A 48 -9.833 3.690 6.997 1.00 32.35 C ATOM 694 CD1 TRP A 48 -10.411 3.041 5.967 1.00 12.01 C ATOM 695 CD2 TRP A 48 -10.584 4.928 7.169 1.00 21.41 C ATOM 696 NE1 TRP A 48 -11.444 3.793 5.459 1.00 21.33 N ATOM 697 CE2 TRP A 48 -11.597 4.974 6.164 1.00 21.35 C ATOM 698 CE3 TRP A 48 -10.549 5.985 8.107 1.00 34.43 C ATOM 699 CZ2 TRP A 48 -12.507 6.039 6.083 1.00 30.25 C ATOM 700 CZ3 TRP A 48 -11.477 7.043 8.047 1.00 71.13 C ATOM 701 CH2 TRP A 48 -12.445 7.077 7.028 1.00 41.04 C ATOM 0 H TRP A 48 -7.289 4.895 5.984 1.00 42.31 H new ATOM 0 HA TRP A 48 -6.560 2.851 7.910 1.00 12.32 H new ATOM 0 HB2 TRP A 48 -8.940 2.089 8.032 1.00 12.24 H new ATOM 0 HB3 TRP A 48 -8.701 3.660 8.772 1.00 12.24 H new ATOM 0 HD1 TRP A 48 -10.108 2.073 5.596 1.00 12.01 H new ATOM 0 HE1 TRP A 48 -12.022 3.516 4.666 1.00 21.33 H new ATOM 0 HE3 TRP A 48 -9.798 5.981 8.883 1.00 34.43 H new ATOM 0 HZ2 TRP A 48 -13.250 6.061 5.300 1.00 30.25 H new ATOM 0 HZ3 TRP A 48 -11.445 7.830 8.786 1.00 71.13 H new ATOM 0 HH2 TRP A 48 -13.141 7.901 6.972 1.00 41.04 H new ATOM 712 N ILE A 49 -7.405 1.008 6.285 1.00 45.44 N ATOM 713 CA ILE A 49 -7.493 -0.079 5.334 1.00 25.14 C ATOM 714 C ILE A 49 -8.980 -0.328 5.127 1.00 63.54 C ATOM 715 O ILE A 49 -9.690 -0.627 6.091 1.00 23.51 O ATOM 716 CB ILE A 49 -6.825 -1.355 5.874 1.00 5.41 C ATOM 717 CG1 ILE A 49 -5.456 -1.060 6.521 1.00 53.32 C ATOM 718 CG2 ILE A 49 -6.730 -2.406 4.742 1.00 13.41 C ATOM 719 CD1 ILE A 49 -4.330 -0.680 5.560 1.00 62.20 C ATOM 0 H ILE A 49 -7.491 0.684 7.248 1.00 45.44 H new ATOM 0 HA ILE A 49 -6.981 0.178 4.407 1.00 25.14 H new ATOM 0 HB ILE A 49 -7.444 -1.766 6.672 1.00 5.41 H new ATOM 0 HG12 ILE A 49 -5.583 -0.250 7.239 1.00 53.32 H new ATOM 0 HG13 ILE A 49 -5.145 -1.940 7.084 1.00 53.32 H new ATOM 0 HG21 ILE A 49 -6.257 -3.310 5.124 1.00 13.41 H new ATOM 0 HG22 ILE A 49 -7.731 -2.644 4.382 1.00 13.41 H new ATOM 0 HG23 ILE A 49 -6.135 -2.004 3.921 1.00 13.41 H new ATOM 0 HD11 ILE A 49 -3.416 -0.495 6.125 1.00 62.20 H new ATOM 0 HD12 ILE A 49 -4.163 -1.495 4.855 1.00 62.20 H new ATOM 0 HD13 ILE A 49 -4.607 0.221 5.013 1.00 62.20 H new ATOM 731 N SER A 50 -9.459 -0.244 3.893 1.00 42.10 N ATOM 732 CA SER A 50 -10.761 -0.778 3.540 1.00 12.43 C ATOM 733 C SER A 50 -10.745 -1.559 2.225 1.00 21.53 C ATOM 734 O SER A 50 -11.808 -1.990 1.773 1.00 5.24 O ATOM 735 CB SER A 50 -11.839 0.310 3.619 1.00 30.41 C ATOM 736 OG SER A 50 -12.943 -0.204 4.355 1.00 71.23 O ATOM 0 H SER A 50 -8.960 0.192 3.118 1.00 42.10 H new ATOM 0 HA SER A 50 -11.031 -1.526 4.285 1.00 12.43 H new ATOM 0 HB2 SER A 50 -11.443 1.202 4.104 1.00 30.41 H new ATOM 0 HB3 SER A 50 -12.155 0.605 2.618 1.00 30.41 H new ATOM 0 HG SER A 50 -12.859 0.058 5.296 1.00 71.23 H new ATOM 742 N SER A 51 -9.574 -1.789 1.616 1.00 53.01 N ATOM 743 CA SER A 51 -9.496 -2.490 0.347 1.00 5.12 C ATOM 744 C SER A 51 -8.179 -3.243 0.214 1.00 3.15 C ATOM 745 O SER A 51 -7.110 -2.636 0.327 1.00 11.34 O ATOM 746 CB SER A 51 -9.722 -1.440 -0.748 1.00 43.01 C ATOM 747 OG SER A 51 -9.489 -1.883 -2.069 1.00 72.31 O ATOM 0 H SER A 51 -8.672 -1.495 1.990 1.00 53.01 H new ATOM 0 HA SER A 51 -10.259 -3.264 0.263 1.00 5.12 H new ATOM 0 HB2 SER A 51 -10.749 -1.082 -0.679 1.00 43.01 H new ATOM 0 HB3 SER A 51 -9.073 -0.587 -0.549 1.00 43.01 H new ATOM 0 HG SER A 51 -10.116 -2.604 -2.287 1.00 72.31 H new ATOM 753 N VAL A 52 -8.255 -4.546 -0.068 1.00 54.22 N ATOM 754 CA VAL A 52 -7.104 -5.407 -0.315 1.00 62.14 C ATOM 755 C VAL A 52 -7.420 -6.485 -1.369 1.00 25.34 C ATOM 756 O VAL A 52 -8.542 -6.981 -1.503 1.00 51.33 O ATOM 757 CB VAL A 52 -6.575 -5.958 1.030 1.00 10.43 C ATOM 758 CG1 VAL A 52 -7.603 -6.772 1.827 1.00 2.24 C ATOM 759 CG2 VAL A 52 -5.290 -6.784 0.882 1.00 65.40 C ATOM 0 H VAL A 52 -9.144 -5.041 -0.132 1.00 54.22 H new ATOM 0 HA VAL A 52 -6.293 -4.828 -0.756 1.00 62.14 H new ATOM 0 HB VAL A 52 -6.353 -5.054 1.597 1.00 10.43 H new ATOM 0 HG11 VAL A 52 -7.150 -7.121 2.755 1.00 2.24 H new ATOM 0 HG12 VAL A 52 -8.465 -6.145 2.056 1.00 2.24 H new ATOM 0 HG13 VAL A 52 -7.925 -7.629 1.236 1.00 2.24 H new ATOM 0 HG21 VAL A 52 -4.972 -7.141 1.862 1.00 65.40 H new ATOM 0 HG22 VAL A 52 -5.478 -7.636 0.229 1.00 65.40 H new ATOM 0 HG23 VAL A 52 -4.506 -6.162 0.450 1.00 65.40 H new ATOM 769 N LYS A 53 -6.393 -6.871 -2.127 1.00 21.44 N ATOM 770 CA LYS A 53 -6.386 -7.878 -3.188 1.00 4.32 C ATOM 771 C LYS A 53 -5.065 -8.630 -3.086 1.00 32.52 C ATOM 772 O LYS A 53 -4.082 -8.021 -2.684 1.00 45.23 O ATOM 773 CB LYS A 53 -6.555 -7.132 -4.524 1.00 42.30 C ATOM 774 CG LYS A 53 -5.995 -7.829 -5.776 1.00 71.44 C ATOM 775 CD LYS A 53 -6.446 -7.124 -7.067 1.00 23.53 C ATOM 776 CE LYS A 53 -7.929 -7.373 -7.330 1.00 12.32 C ATOM 777 NZ LYS A 53 -8.403 -6.803 -8.605 1.00 25.45 N ATOM 0 H LYS A 53 -5.470 -6.454 -2.005 1.00 21.44 H new ATOM 0 HA LYS A 53 -7.193 -8.606 -3.107 1.00 4.32 H new ATOM 0 HB2 LYS A 53 -7.618 -6.951 -4.681 1.00 42.30 H new ATOM 0 HB3 LYS A 53 -6.076 -6.157 -4.433 1.00 42.30 H new ATOM 0 HG2 LYS A 53 -4.906 -7.842 -5.729 1.00 71.44 H new ATOM 0 HG3 LYS A 53 -6.326 -8.867 -5.793 1.00 71.44 H new ATOM 0 HD2 LYS A 53 -6.261 -6.053 -6.986 1.00 23.53 H new ATOM 0 HD3 LYS A 53 -5.857 -7.486 -7.909 1.00 23.53 H new ATOM 0 HE2 LYS A 53 -8.115 -8.447 -7.330 1.00 12.32 H new ATOM 0 HE3 LYS A 53 -8.511 -6.948 -6.512 1.00 12.32 H new ATOM 0 HZ1 LYS A 53 -9.224 -6.190 -8.427 1.00 25.45 H new ATOM 0 HZ2 LYS A 53 -7.641 -6.244 -9.040 1.00 25.45 H new ATOM 0 HZ3 LYS A 53 -8.679 -7.572 -9.248 1.00 25.45 H new ATOM 791 N GLU A 54 -5.037 -9.914 -3.453 1.00 53.40 N ATOM 792 CA GLU A 54 -3.872 -10.811 -3.344 1.00 50.04 C ATOM 793 C GLU A 54 -3.927 -11.917 -4.403 1.00 62.31 C ATOM 794 O GLU A 54 -3.175 -12.891 -4.317 1.00 70.40 O ATOM 795 CB GLU A 54 -3.752 -11.392 -1.917 1.00 23.22 C ATOM 796 CG GLU A 54 -5.045 -12.055 -1.438 1.00 65.42 C ATOM 797 CD GLU A 54 -4.901 -12.982 -0.223 1.00 13.34 C ATOM 798 OE1 GLU A 54 -4.271 -12.626 0.799 1.00 13.34 O ATOM 799 OE2 GLU A 54 -5.565 -14.045 -0.248 1.00 4.34 O ATOM 0 H GLU A 54 -5.853 -10.380 -3.850 1.00 53.40 H new ATOM 0 HA GLU A 54 -2.974 -10.224 -3.534 1.00 50.04 H new ATOM 0 HB2 GLU A 54 -2.944 -12.123 -1.894 1.00 23.22 H new ATOM 0 HB3 GLU A 54 -3.480 -10.594 -1.226 1.00 23.22 H new ATOM 0 HG2 GLU A 54 -5.765 -11.274 -1.194 1.00 65.42 H new ATOM 0 HG3 GLU A 54 -5.466 -12.629 -2.263 1.00 65.42 H new ATOM 806 N GLU A 55 -4.856 -11.829 -5.366 1.00 24.53 N ATOM 807 CA GLU A 55 -5.191 -12.993 -6.181 1.00 32.31 C ATOM 808 C GLU A 55 -6.049 -12.642 -7.403 1.00 53.01 C ATOM 809 O GLU A 55 -6.945 -13.382 -7.806 1.00 43.11 O ATOM 810 CB GLU A 55 -5.854 -14.025 -5.243 1.00 45.40 C ATOM 811 CG GLU A 55 -5.223 -15.392 -5.468 1.00 10.05 C ATOM 812 CD GLU A 55 -6.032 -16.142 -6.518 1.00 12.35 C ATOM 813 OE1 GLU A 55 -7.101 -16.662 -6.113 1.00 25.43 O ATOM 814 OE2 GLU A 55 -5.634 -16.168 -7.706 1.00 72.11 O ATOM 0 H GLU A 55 -5.376 -10.981 -5.592 1.00 24.53 H new ATOM 0 HA GLU A 55 -4.288 -13.418 -6.620 1.00 32.31 H new ATOM 0 HB2 GLU A 55 -5.729 -13.721 -4.204 1.00 45.40 H new ATOM 0 HB3 GLU A 55 -6.926 -14.071 -5.435 1.00 45.40 H new ATOM 0 HG2 GLU A 55 -4.190 -15.281 -5.797 1.00 10.05 H new ATOM 0 HG3 GLU A 55 -5.202 -15.955 -4.535 1.00 10.05 H new ATOM 821 N GLY A 56 -5.869 -11.438 -7.945 1.00 21.25 N ATOM 822 CA GLY A 56 -6.672 -10.903 -9.043 1.00 42.34 C ATOM 823 C GLY A 56 -8.087 -10.515 -8.610 1.00 1.25 C ATOM 824 O GLY A 56 -8.767 -9.765 -9.310 1.00 2.35 O ATOM 0 H GLY A 56 -5.145 -10.794 -7.626 1.00 21.25 H new ATOM 0 HA2 GLY A 56 -6.172 -10.029 -9.460 1.00 42.34 H new ATOM 0 HA3 GLY A 56 -6.731 -11.646 -9.839 1.00 42.34 H new ATOM 828 N LYS A 57 -8.505 -10.913 -7.407 1.00 5.42 N ATOM 829 CA LYS A 57 -9.804 -10.658 -6.802 1.00 5.34 C ATOM 830 C LYS A 57 -9.590 -9.935 -5.486 1.00 72.51 C ATOM 831 O LYS A 57 -8.468 -9.907 -4.967 1.00 1.15 O ATOM 832 CB LYS A 57 -10.568 -11.978 -6.597 1.00 10.03 C ATOM 833 CG LYS A 57 -9.748 -13.051 -5.850 1.00 41.04 C ATOM 834 CD LYS A 57 -10.543 -13.714 -4.724 1.00 23.44 C ATOM 835 CE LYS A 57 -9.831 -14.965 -4.176 1.00 44.02 C ATOM 836 NZ LYS A 57 -9.713 -16.062 -5.165 1.00 1.32 N ATOM 0 H LYS A 57 -7.901 -11.458 -6.792 1.00 5.42 H new ATOM 0 HA LYS A 57 -10.408 -10.033 -7.460 1.00 5.34 H new ATOM 0 HB2 LYS A 57 -11.483 -11.777 -6.039 1.00 10.03 H new ATOM 0 HB3 LYS A 57 -10.867 -12.371 -7.569 1.00 10.03 H new ATOM 0 HG2 LYS A 57 -9.422 -13.813 -6.558 1.00 41.04 H new ATOM 0 HG3 LYS A 57 -8.849 -12.594 -5.436 1.00 41.04 H new ATOM 0 HD2 LYS A 57 -10.693 -12.998 -3.916 1.00 23.44 H new ATOM 0 HD3 LYS A 57 -11.531 -13.991 -5.092 1.00 23.44 H new ATOM 0 HE2 LYS A 57 -8.834 -14.685 -3.836 1.00 44.02 H new ATOM 0 HE3 LYS A 57 -10.375 -15.330 -3.305 1.00 44.02 H new ATOM 0 HZ1 LYS A 57 -10.065 -16.946 -4.746 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 -10.275 -15.830 -6.009 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 -8.716 -16.180 -5.435 1.00 1.32 H new ATOM 850 N PHE A 58 -10.651 -9.335 -4.960 1.00 2.15 N ATOM 851 CA PHE A 58 -10.592 -8.735 -3.642 1.00 71.30 C ATOM 852 C PHE A 58 -10.659 -9.838 -2.583 1.00 42.12 C ATOM 853 O PHE A 58 -11.244 -10.906 -2.772 1.00 2.03 O ATOM 854 CB PHE A 58 -11.705 -7.691 -3.476 1.00 71.21 C ATOM 855 CG PHE A 58 -11.339 -6.278 -3.909 1.00 12.32 C ATOM 856 CD1 PHE A 58 -10.580 -6.025 -5.073 1.00 32.12 C ATOM 857 CD2 PHE A 58 -11.764 -5.192 -3.120 1.00 10.21 C ATOM 858 CE1 PHE A 58 -10.257 -4.707 -5.440 1.00 24.32 C ATOM 859 CE2 PHE A 58 -11.442 -3.877 -3.488 1.00 5.12 C ATOM 860 CZ PHE A 58 -10.688 -3.633 -4.646 1.00 53.43 C ATOM 0 H PHE A 58 -11.555 -9.254 -5.426 1.00 2.15 H new ATOM 0 HA PHE A 58 -9.648 -8.205 -3.515 1.00 71.30 H new ATOM 0 HB2 PHE A 58 -12.574 -8.016 -4.049 1.00 71.21 H new ATOM 0 HB3 PHE A 58 -12.005 -7.667 -2.428 1.00 71.21 H new ATOM 0 HD1 PHE A 58 -10.246 -6.850 -5.685 1.00 32.12 H new ATOM 0 HD2 PHE A 58 -12.342 -5.372 -2.226 1.00 10.21 H new ATOM 0 HE1 PHE A 58 -9.678 -4.521 -6.332 1.00 24.32 H new ATOM 0 HE2 PHE A 58 -11.775 -3.050 -2.878 1.00 5.12 H new ATOM 0 HZ PHE A 58 -10.440 -2.620 -4.926 1.00 53.43 H new ATOM 870 N LYS A 59 -10.017 -9.561 -1.463 1.00 73.32 N ATOM 871 CA LYS A 59 -10.215 -10.140 -0.141 1.00 5.05 C ATOM 872 C LYS A 59 -11.429 -9.518 0.529 1.00 45.32 C ATOM 873 O LYS A 59 -12.196 -8.760 -0.073 1.00 11.13 O ATOM 874 CB LYS A 59 -8.932 -9.859 0.672 1.00 2.02 C ATOM 875 CG LYS A 59 -7.844 -10.880 0.387 1.00 62.32 C ATOM 876 CD LYS A 59 -8.037 -12.202 1.144 1.00 11.33 C ATOM 877 CE LYS A 59 -6.998 -12.377 2.254 1.00 63.20 C ATOM 878 NZ LYS A 59 -6.560 -13.778 2.373 1.00 52.12 N ATOM 0 H LYS A 59 -9.275 -8.861 -1.452 1.00 73.32 H new ATOM 0 HA LYS A 59 -10.397 -11.213 -0.206 1.00 5.05 H new ATOM 0 HB2 LYS A 59 -8.564 -8.861 0.435 1.00 2.02 H new ATOM 0 HB3 LYS A 59 -9.168 -9.868 1.736 1.00 2.02 H new ATOM 0 HG2 LYS A 59 -7.818 -11.083 -0.684 1.00 62.32 H new ATOM 0 HG3 LYS A 59 -6.877 -10.454 0.655 1.00 62.32 H new ATOM 0 HD2 LYS A 59 -9.038 -12.232 1.575 1.00 11.33 H new ATOM 0 HD3 LYS A 59 -7.966 -13.035 0.445 1.00 11.33 H new ATOM 0 HE2 LYS A 59 -6.136 -11.742 2.049 1.00 63.20 H new ATOM 0 HE3 LYS A 59 -7.420 -12.045 3.203 1.00 63.20 H new ATOM 0 HZ1 LYS A 59 -5.741 -13.833 3.011 1.00 52.12 H new ATOM 0 HZ2 LYS A 59 -7.337 -14.353 2.757 1.00 52.12 H new ATOM 0 HZ3 LYS A 59 -6.292 -14.139 1.435 1.00 52.12 H new ATOM 892 N GLU A 60 -11.598 -9.903 1.779 1.00 25.21 N ATOM 893 CA GLU A 60 -12.385 -9.204 2.777 1.00 42.30 C ATOM 894 C GLU A 60 -11.429 -8.418 3.685 1.00 63.34 C ATOM 895 O GLU A 60 -10.234 -8.713 3.686 1.00 42.01 O ATOM 896 CB GLU A 60 -13.149 -10.255 3.573 1.00 43.43 C ATOM 897 CG GLU A 60 -14.170 -10.997 2.716 1.00 31.25 C ATOM 898 CD GLU A 60 -15.228 -11.629 3.611 1.00 43.14 C ATOM 899 OE1 GLU A 60 -16.137 -10.905 4.071 1.00 22.55 O ATOM 900 OE2 GLU A 60 -15.066 -12.828 3.951 1.00 2.33 O ATOM 0 H GLU A 60 -11.169 -10.753 2.144 1.00 25.21 H new ATOM 0 HA GLU A 60 -13.089 -8.505 2.326 1.00 42.30 H new ATOM 0 HB2 GLU A 60 -12.444 -10.971 3.997 1.00 43.43 H new ATOM 0 HB3 GLU A 60 -13.658 -9.776 4.409 1.00 43.43 H new ATOM 0 HG2 GLU A 60 -14.639 -10.308 2.013 1.00 31.25 H new ATOM 0 HG3 GLU A 60 -13.673 -11.766 2.125 1.00 31.25 H new ATOM 907 N ASN A 61 -11.926 -7.467 4.480 1.00 32.31 N ATOM 908 CA ASN A 61 -11.146 -6.572 5.338 1.00 70.44 C ATOM 909 C ASN A 61 -11.719 -6.602 6.746 1.00 73.54 C ATOM 910 O ASN A 61 -12.907 -6.322 6.914 1.00 45.23 O ATOM 911 CB ASN A 61 -11.207 -5.124 4.820 1.00 32.22 C ATOM 912 CG ASN A 61 -9.838 -4.515 4.669 1.00 3.24 C ATOM 913 OD1 ASN A 61 -9.259 -4.019 5.744 1.00 73.31 O flip ATOM 914 ND2 ASN A 61 -9.294 -4.492 3.573 1.00 50.33 N flip ATOM 0 H ASN A 61 -12.929 -7.292 4.546 1.00 32.31 H new ATOM 0 HA ASN A 61 -10.110 -6.911 5.334 1.00 70.44 H new ATOM 0 HB2 ASN A 61 -11.719 -5.106 3.858 1.00 32.22 H new ATOM 0 HB3 ASN A 61 -11.798 -4.519 5.507 1.00 32.22 H new ATOM 0 HD21 ASN A 61 -9.769 -4.884 2.760 1.00 50.33 H new ATOM 0 HD22 ASN A 61 -8.366 -4.081 3.473 1.00 50.33 H new ATOM 921 N THR A 62 -10.894 -6.868 7.756 1.00 44.13 N ATOM 922 CA THR A 62 -11.330 -7.021 9.145 1.00 44.21 C ATOM 923 C THR A 62 -10.479 -6.160 10.095 1.00 45.12 C ATOM 924 O THR A 62 -10.462 -6.357 11.309 1.00 74.21 O ATOM 925 CB THR A 62 -11.421 -8.520 9.470 1.00 2.31 C ATOM 926 OG1 THR A 62 -12.093 -8.754 10.685 1.00 25.41 O ATOM 927 CG2 THR A 62 -10.041 -9.176 9.474 1.00 10.43 C ATOM 0 H THR A 62 -9.888 -6.985 7.632 1.00 44.13 H new ATOM 0 HA THR A 62 -12.334 -6.626 9.297 1.00 44.21 H new ATOM 0 HB THR A 62 -12.009 -8.981 8.677 1.00 2.31 H new ATOM 0 HG1 THR A 62 -11.744 -8.150 11.374 1.00 25.41 H new ATOM 0 HG21 THR A 62 -10.143 -10.236 9.707 1.00 10.43 H new ATOM 0 HG22 THR A 62 -9.582 -9.063 8.492 1.00 10.43 H new ATOM 0 HG23 THR A 62 -9.413 -8.698 10.225 1.00 10.43 H new ATOM 935 N SER A 63 -9.797 -5.145 9.567 1.00 31.11 N ATOM 936 CA SER A 63 -9.265 -4.065 10.375 1.00 12.41 C ATOM 937 C SER A 63 -9.334 -2.796 9.540 1.00 43.21 C ATOM 938 O SER A 63 -9.502 -2.836 8.318 1.00 14.25 O ATOM 939 CB SER A 63 -7.843 -4.415 10.856 1.00 10.31 C ATOM 940 OG SER A 63 -7.201 -3.349 11.556 1.00 53.01 O ATOM 0 H SER A 63 -9.602 -5.054 8.570 1.00 31.11 H new ATOM 0 HA SER A 63 -9.848 -3.908 11.283 1.00 12.41 H new ATOM 0 HB2 SER A 63 -7.892 -5.288 11.506 1.00 10.31 H new ATOM 0 HB3 SER A 63 -7.235 -4.692 9.995 1.00 10.31 H new ATOM 0 HG SER A 63 -6.378 -3.680 11.972 1.00 53.01 H new ATOM 946 N TYR A 64 -9.173 -1.676 10.233 1.00 32.22 N ATOM 947 CA TYR A 64 -9.027 -0.340 9.712 1.00 61.52 C ATOM 948 C TYR A 64 -7.597 0.175 9.919 1.00 2.23 C ATOM 949 O TYR A 64 -7.349 1.303 9.524 1.00 44.04 O ATOM 950 CB TYR A 64 -10.104 0.568 10.347 1.00 43.42 C ATOM 951 CG TYR A 64 -11.259 0.974 9.447 1.00 42.03 C ATOM 952 CD1 TYR A 64 -11.996 0.003 8.745 1.00 32.11 C ATOM 953 CD2 TYR A 64 -11.622 2.331 9.339 1.00 43.20 C ATOM 954 CE1 TYR A 64 -13.094 0.381 7.949 1.00 64.32 C ATOM 955 CE2 TYR A 64 -12.700 2.719 8.524 1.00 22.53 C ATOM 956 CZ TYR A 64 -13.445 1.743 7.828 1.00 23.53 C ATOM 957 OH TYR A 64 -14.495 2.125 7.050 1.00 3.33 O ATOM 0 H TYR A 64 -9.140 -1.689 11.252 1.00 32.22 H new ATOM 0 HA TYR A 64 -9.186 -0.336 8.634 1.00 61.52 H new ATOM 0 HB2 TYR A 64 -10.513 0.056 11.218 1.00 43.42 H new ATOM 0 HB3 TYR A 64 -9.618 1.474 10.709 1.00 43.42 H new ATOM 0 HD1 TYR A 64 -11.718 -1.038 8.817 1.00 32.11 H new ATOM 0 HD2 TYR A 64 -11.068 3.079 9.887 1.00 43.20 H new ATOM 0 HE1 TYR A 64 -13.669 -0.372 7.430 1.00 64.32 H new ATOM 0 HE2 TYR A 64 -12.958 3.764 8.431 1.00 22.53 H new ATOM 0 HH TYR A 64 -14.591 3.100 7.086 1.00 3.33 H new ATOM 967 N LYS A 65 -6.623 -0.557 10.479 1.00 21.12 N ATOM 968 CA LYS A 65 -5.226 -0.074 10.515 1.00 4.04 C ATOM 969 C LYS A 65 -4.187 -1.163 10.273 1.00 23.35 C ATOM 970 O LYS A 65 -3.003 -0.840 10.183 1.00 53.00 O ATOM 971 CB LYS A 65 -4.933 0.715 11.814 1.00 21.24 C ATOM 972 CG LYS A 65 -5.174 2.224 11.608 1.00 34.52 C ATOM 973 CD LYS A 65 -5.072 3.067 12.878 1.00 44.04 C ATOM 974 CE LYS A 65 -3.660 3.089 13.466 1.00 11.22 C ATOM 975 NZ LYS A 65 -3.604 3.866 14.721 1.00 72.13 N ATOM 0 H LYS A 65 -6.768 -1.471 10.908 1.00 21.12 H new ATOM 0 HA LYS A 65 -5.131 0.609 9.671 1.00 4.04 H new ATOM 0 HB2 LYS A 65 -5.570 0.348 12.619 1.00 21.24 H new ATOM 0 HB3 LYS A 65 -3.901 0.546 12.122 1.00 21.24 H new ATOM 0 HG2 LYS A 65 -4.452 2.597 10.882 1.00 34.52 H new ATOM 0 HG3 LYS A 65 -6.164 2.364 11.174 1.00 34.52 H new ATOM 0 HD2 LYS A 65 -5.384 4.088 12.657 1.00 44.04 H new ATOM 0 HD3 LYS A 65 -5.765 2.677 13.624 1.00 44.04 H new ATOM 0 HE2 LYS A 65 -3.328 2.068 13.655 1.00 11.22 H new ATOM 0 HE3 LYS A 65 -2.970 3.519 12.740 1.00 11.22 H new ATOM 0 HZ1 LYS A 65 -2.632 3.859 15.091 1.00 72.13 H new ATOM 0 HZ2 LYS A 65 -3.897 4.847 14.536 1.00 72.13 H new ATOM 0 HZ3 LYS A 65 -4.244 3.440 15.422 1.00 72.13 H new ATOM 989 N GLU A 66 -4.570 -2.426 10.141 1.00 51.24 N ATOM 990 CA GLU A 66 -3.641 -3.525 9.954 1.00 24.51 C ATOM 991 C GLU A 66 -4.196 -4.427 8.852 1.00 2.23 C ATOM 992 O GLU A 66 -5.386 -4.352 8.546 1.00 50.41 O ATOM 993 CB GLU A 66 -3.519 -4.218 11.318 1.00 71.54 C ATOM 994 CG GLU A 66 -2.411 -5.269 11.399 1.00 52.20 C ATOM 995 CD GLU A 66 -2.288 -5.891 12.796 1.00 10.02 C ATOM 996 OE1 GLU A 66 -3.055 -5.544 13.726 1.00 11.41 O ATOM 997 OE2 GLU A 66 -1.384 -6.737 12.980 1.00 4.04 O ATOM 0 H GLU A 66 -5.548 -2.716 10.161 1.00 51.24 H new ATOM 0 HA GLU A 66 -2.645 -3.218 9.634 1.00 24.51 H new ATOM 0 HB2 GLU A 66 -3.340 -3.461 12.081 1.00 71.54 H new ATOM 0 HB3 GLU A 66 -4.471 -4.693 11.556 1.00 71.54 H new ATOM 0 HG2 GLU A 66 -2.608 -6.056 10.671 1.00 52.20 H new ATOM 0 HG3 GLU A 66 -1.461 -4.811 11.124 1.00 52.20 H new ATOM 1004 N PHE A 67 -3.358 -5.274 8.254 1.00 10.41 N ATOM 1005 CA PHE A 67 -3.789 -6.477 7.552 1.00 54.42 C ATOM 1006 C PHE A 67 -2.577 -7.400 7.480 1.00 65.10 C ATOM 1007 O PHE A 67 -1.472 -6.936 7.188 1.00 10.25 O ATOM 1008 CB PHE A 67 -4.288 -6.136 6.139 1.00 25.34 C ATOM 1009 CG PHE A 67 -5.108 -7.232 5.485 1.00 13.25 C ATOM 1010 CD1 PHE A 67 -4.486 -8.295 4.804 1.00 62.52 C ATOM 1011 CD2 PHE A 67 -6.512 -7.181 5.540 1.00 4.01 C ATOM 1012 CE1 PHE A 67 -5.245 -9.271 4.137 1.00 53.42 C ATOM 1013 CE2 PHE A 67 -7.266 -8.129 4.838 1.00 72.44 C ATOM 1014 CZ PHE A 67 -6.644 -9.177 4.142 1.00 41.30 C ATOM 0 H PHE A 67 -2.347 -5.139 8.245 1.00 10.41 H new ATOM 0 HA PHE A 67 -4.617 -6.955 8.076 1.00 54.42 H new ATOM 0 HB2 PHE A 67 -4.890 -5.228 6.188 1.00 25.34 H new ATOM 0 HB3 PHE A 67 -3.428 -5.915 5.506 1.00 25.34 H new ATOM 0 HD1 PHE A 67 -3.408 -8.361 4.794 1.00 62.52 H new ATOM 0 HD2 PHE A 67 -7.006 -6.415 6.120 1.00 4.01 H new ATOM 0 HE1 PHE A 67 -4.755 -10.086 3.625 1.00 53.42 H new ATOM 0 HE2 PHE A 67 -8.343 -8.053 4.832 1.00 72.44 H new ATOM 0 HZ PHE A 67 -7.239 -9.907 3.613 1.00 41.30 H new ATOM 1024 N ASP A 68 -2.744 -8.701 7.682 1.00 30.42 N ATOM 1025 CA ASP A 68 -1.675 -9.683 7.836 1.00 14.33 C ATOM 1026 C ASP A 68 -1.939 -10.890 6.937 1.00 12.23 C ATOM 1027 O ASP A 68 -2.121 -12.016 7.388 1.00 74.31 O ATOM 1028 CB ASP A 68 -1.487 -10.028 9.326 1.00 62.12 C ATOM 1029 CG ASP A 68 -2.785 -10.289 10.108 1.00 62.52 C ATOM 1030 OD1 ASP A 68 -3.820 -10.676 9.520 1.00 64.10 O ATOM 1031 OD2 ASP A 68 -2.810 -10.006 11.327 1.00 52.20 O ATOM 0 H ASP A 68 -3.671 -9.121 7.746 1.00 30.42 H new ATOM 0 HA ASP A 68 -0.723 -9.268 7.504 1.00 14.33 H new ATOM 0 HB2 ASP A 68 -0.853 -10.912 9.400 1.00 62.12 H new ATOM 0 HB3 ASP A 68 -0.951 -9.210 9.807 1.00 62.12 H new ATOM 1036 N GLY A 69 -1.890 -10.659 5.624 1.00 1.23 N ATOM 1037 CA GLY A 69 -2.151 -11.619 4.581 1.00 73.14 C ATOM 1038 C GLY A 69 -0.875 -12.386 4.314 1.00 70.11 C ATOM 1039 O GLY A 69 -0.266 -12.251 3.255 1.00 14.41 O ATOM 0 H GLY A 69 -1.652 -9.740 5.252 1.00 1.23 H new ATOM 0 HA2 GLY A 69 -2.948 -12.300 4.882 1.00 73.14 H new ATOM 0 HA3 GLY A 69 -2.488 -11.114 3.675 1.00 73.14 H new ATOM 1043 N GLY A 70 -0.454 -13.145 5.321 1.00 4.32 N ATOM 1044 CA GLY A 70 0.406 -14.298 5.189 1.00 31.12 C ATOM 1045 C GLY A 70 1.861 -14.031 4.819 1.00 50.01 C ATOM 1046 O GLY A 70 2.766 -14.224 5.631 1.00 23.15 O ATOM 0 H GLY A 70 -0.718 -12.959 6.288 1.00 4.32 H new ATOM 0 HA2 GLY A 70 0.390 -14.844 6.132 1.00 31.12 H new ATOM 0 HA3 GLY A 70 -0.022 -14.956 4.433 1.00 31.12 H new ATOM 1050 N TRP A 71 2.114 -13.608 3.587 1.00 4.32 N ATOM 1051 CA TRP A 71 3.440 -13.297 3.067 1.00 13.33 C ATOM 1052 C TRP A 71 3.651 -11.782 2.966 1.00 64.42 C ATOM 1053 O TRP A 71 4.656 -11.334 2.415 1.00 53.24 O ATOM 1054 CB TRP A 71 3.637 -14.044 1.739 1.00 12.32 C ATOM 1055 CG TRP A 71 2.658 -13.787 0.635 1.00 52.02 C ATOM 1056 CD1 TRP A 71 1.481 -14.436 0.461 1.00 45.42 C ATOM 1057 CD2 TRP A 71 2.787 -12.874 -0.499 1.00 72.44 C ATOM 1058 NE1 TRP A 71 0.888 -14.008 -0.709 1.00 44.23 N ATOM 1059 CE2 TRP A 71 1.693 -13.112 -1.375 1.00 3.11 C ATOM 1060 CE3 TRP A 71 3.716 -11.893 -0.909 1.00 4.24 C ATOM 1061 CZ2 TRP A 71 1.562 -12.455 -2.600 1.00 45.04 C ATOM 1062 CZ3 TRP A 71 3.554 -11.183 -2.119 1.00 25.52 C ATOM 1063 CH2 TRP A 71 2.485 -11.470 -2.983 1.00 62.21 C ATOM 0 H TRP A 71 1.375 -13.467 2.898 1.00 4.32 H new ATOM 0 HA TRP A 71 4.212 -13.643 3.755 1.00 13.33 H new ATOM 0 HB2 TRP A 71 4.632 -13.803 1.365 1.00 12.32 H new ATOM 0 HB3 TRP A 71 3.626 -15.113 1.952 1.00 12.32 H new ATOM 0 HD1 TRP A 71 1.071 -15.174 1.134 1.00 45.42 H new ATOM 0 HE1 TRP A 71 -0.027 -14.315 -1.037 1.00 44.23 H new ATOM 0 HE3 TRP A 71 4.570 -11.681 -0.283 1.00 4.24 H new ATOM 0 HZ2 TRP A 71 0.744 -12.707 -3.258 1.00 45.04 H new ATOM 0 HZ3 TRP A 71 4.261 -10.410 -2.383 1.00 25.52 H new ATOM 0 HH2 TRP A 71 2.376 -10.945 -3.920 1.00 62.21 H new ATOM 1074 N TYR A 72 2.728 -10.971 3.487 1.00 23.45 N ATOM 1075 CA TYR A 72 2.628 -9.554 3.224 1.00 71.54 C ATOM 1076 C TYR A 72 1.995 -8.977 4.485 1.00 13.42 C ATOM 1077 O TYR A 72 1.082 -9.587 5.067 1.00 65.53 O ATOM 1078 CB TYR A 72 1.761 -9.391 1.964 1.00 3.44 C ATOM 1079 CG TYR A 72 1.581 -7.985 1.421 1.00 63.51 C ATOM 1080 CD1 TYR A 72 0.499 -7.209 1.859 1.00 71.24 C ATOM 1081 CD2 TYR A 72 2.405 -7.498 0.389 1.00 53.32 C ATOM 1082 CE1 TYR A 72 0.252 -5.943 1.312 1.00 71.40 C ATOM 1083 CE2 TYR A 72 2.167 -6.229 -0.175 1.00 64.43 C ATOM 1084 CZ TYR A 72 1.088 -5.445 0.295 1.00 11.12 C ATOM 1085 OH TYR A 72 0.835 -4.212 -0.217 1.00 45.01 O ATOM 0 H TYR A 72 2.008 -11.307 4.126 1.00 23.45 H new ATOM 0 HA TYR A 72 3.569 -9.040 3.027 1.00 71.54 H new ATOM 0 HB2 TYR A 72 2.194 -10.005 1.174 1.00 3.44 H new ATOM 0 HB3 TYR A 72 0.773 -9.799 2.179 1.00 3.44 H new ATOM 0 HD1 TYR A 72 -0.154 -7.593 2.629 1.00 71.24 H new ATOM 0 HD2 TYR A 72 3.225 -8.101 0.027 1.00 53.32 H new ATOM 0 HE1 TYR A 72 -0.577 -5.351 1.670 1.00 71.40 H new ATOM 0 HE2 TYR A 72 2.806 -5.857 -0.962 1.00 64.43 H new ATOM 0 HH TYR A 72 1.533 -3.977 -0.864 1.00 45.01 H new ATOM 1095 N LEU A 73 2.473 -7.828 4.957 1.00 54.32 N ATOM 1096 CA LEU A 73 2.046 -7.238 6.223 1.00 12.05 C ATOM 1097 C LEU A 73 1.794 -5.754 5.993 1.00 42.03 C ATOM 1098 O LEU A 73 2.690 -5.083 5.476 1.00 14.12 O ATOM 1099 CB LEU A 73 3.134 -7.458 7.303 1.00 10.32 C ATOM 1100 CG LEU A 73 2.633 -7.739 8.735 1.00 33.23 C ATOM 1101 CD1 LEU A 73 1.355 -6.993 9.114 1.00 23.42 C ATOM 1102 CD2 LEU A 73 2.339 -9.224 8.931 1.00 31.22 C ATOM 0 H LEU A 73 3.175 -7.275 4.466 1.00 54.32 H new ATOM 0 HA LEU A 73 1.130 -7.711 6.577 1.00 12.05 H new ATOM 0 HB2 LEU A 73 3.761 -8.293 6.991 1.00 10.32 H new ATOM 0 HB3 LEU A 73 3.771 -6.574 7.331 1.00 10.32 H new ATOM 0 HG LEU A 73 3.446 -7.390 9.372 1.00 33.23 H new ATOM 0 HD11 LEU A 73 1.074 -7.248 10.136 1.00 23.42 H new ATOM 0 HD12 LEU A 73 1.526 -5.919 9.042 1.00 23.42 H new ATOM 0 HD13 LEU A 73 0.552 -7.279 8.435 1.00 23.42 H new ATOM 0 HD21 LEU A 73 1.988 -9.394 9.949 1.00 31.22 H new ATOM 0 HD22 LEU A 73 1.571 -9.539 8.225 1.00 31.22 H new ATOM 0 HD23 LEU A 73 3.248 -9.801 8.760 1.00 31.22 H new ATOM 1114 N VAL A 74 0.641 -5.230 6.413 1.00 42.31 N ATOM 1115 CA VAL A 74 0.315 -3.808 6.399 1.00 74.14 C ATOM 1116 C VAL A 74 0.172 -3.357 7.843 1.00 33.53 C ATOM 1117 O VAL A 74 -0.517 -4.004 8.635 1.00 23.14 O ATOM 1118 CB VAL A 74 -0.972 -3.489 5.600 1.00 21.44 C ATOM 1119 CG1 VAL A 74 -1.030 -1.977 5.379 1.00 70.44 C ATOM 1120 CG2 VAL A 74 -0.963 -4.170 4.228 1.00 13.45 C ATOM 0 H VAL A 74 -0.115 -5.806 6.784 1.00 42.31 H new ATOM 0 HA VAL A 74 1.116 -3.270 5.893 1.00 74.14 H new ATOM 0 HB VAL A 74 -1.831 -3.853 6.163 1.00 21.44 H new ATOM 0 HG11 VAL A 74 -1.930 -1.726 4.817 1.00 70.44 H new ATOM 0 HG12 VAL A 74 -1.051 -1.469 6.343 1.00 70.44 H new ATOM 0 HG13 VAL A 74 -0.151 -1.657 4.819 1.00 70.44 H new ATOM 0 HG21 VAL A 74 -1.881 -3.925 3.694 1.00 13.45 H new ATOM 0 HG22 VAL A 74 -0.105 -3.820 3.654 1.00 13.45 H new ATOM 0 HG23 VAL A 74 -0.897 -5.250 4.358 1.00 13.45 H new ATOM 1130 N LYS A 75 0.818 -2.242 8.171 1.00 42.23 N ATOM 1131 CA LYS A 75 0.749 -1.573 9.457 1.00 53.04 C ATOM 1132 C LYS A 75 0.619 -0.097 9.152 1.00 51.30 C ATOM 1133 O LYS A 75 1.498 0.450 8.482 1.00 44.32 O ATOM 1134 CB LYS A 75 2.003 -1.876 10.295 1.00 11.24 C ATOM 1135 CG LYS A 75 1.789 -3.107 11.188 1.00 63.33 C ATOM 1136 CD LYS A 75 3.094 -3.787 11.631 1.00 72.41 C ATOM 1137 CE LYS A 75 3.753 -4.567 10.483 1.00 5.43 C ATOM 1138 NZ LYS A 75 4.790 -5.500 10.971 1.00 45.14 N ATOM 0 H LYS A 75 1.432 -1.761 7.513 1.00 42.23 H new ATOM 0 HA LYS A 75 -0.098 -1.919 10.049 1.00 53.04 H new ATOM 0 HB2 LYS A 75 2.853 -2.046 9.634 1.00 11.24 H new ATOM 0 HB3 LYS A 75 2.248 -1.013 10.914 1.00 11.24 H new ATOM 0 HG2 LYS A 75 1.227 -2.809 12.073 1.00 63.33 H new ATOM 0 HG3 LYS A 75 1.177 -3.832 10.651 1.00 63.33 H new ATOM 0 HD2 LYS A 75 3.788 -3.033 12.003 1.00 72.41 H new ATOM 0 HD3 LYS A 75 2.887 -4.465 12.459 1.00 72.41 H new ATOM 0 HE2 LYS A 75 2.991 -5.125 9.939 1.00 5.43 H new ATOM 0 HE3 LYS A 75 4.199 -3.866 9.778 1.00 5.43 H new ATOM 0 HZ1 LYS A 75 5.209 -6.006 10.165 1.00 45.14 H new ATOM 0 HZ2 LYS A 75 5.531 -4.966 11.468 1.00 45.14 H new ATOM 0 HZ3 LYS A 75 4.360 -6.186 11.624 1.00 45.14 H new ATOM 1152 N ILE A 76 -0.482 0.515 9.574 1.00 53.44 N ATOM 1153 CA ILE A 76 -0.659 1.957 9.580 1.00 65.34 C ATOM 1154 C ILE A 76 -0.366 2.395 11.002 1.00 12.45 C ATOM 1155 O ILE A 76 -1.073 2.019 11.943 1.00 22.43 O ATOM 1156 CB ILE A 76 -2.079 2.370 9.140 1.00 10.14 C ATOM 1157 CG1 ILE A 76 -2.275 2.090 7.640 1.00 61.41 C ATOM 1158 CG2 ILE A 76 -2.314 3.865 9.441 1.00 32.54 C ATOM 1159 CD1 ILE A 76 -3.712 2.295 7.147 1.00 52.30 C ATOM 0 H ILE A 76 -1.293 0.008 9.929 1.00 53.44 H new ATOM 0 HA ILE A 76 0.009 2.438 8.865 1.00 65.34 H new ATOM 0 HB ILE A 76 -2.805 1.781 9.701 1.00 10.14 H new ATOM 0 HG12 ILE A 76 -1.611 2.740 7.070 1.00 61.41 H new ATOM 0 HG13 ILE A 76 -1.973 1.064 7.431 1.00 61.41 H new ATOM 0 HG21 ILE A 76 -3.319 4.146 9.127 1.00 32.54 H new ATOM 0 HG22 ILE A 76 -2.206 4.042 10.511 1.00 32.54 H new ATOM 0 HG23 ILE A 76 -1.583 4.465 8.898 1.00 32.54 H new ATOM 0 HD11 ILE A 76 -3.765 2.077 6.080 1.00 52.30 H new ATOM 0 HD12 ILE A 76 -4.381 1.626 7.688 1.00 52.30 H new ATOM 0 HD13 ILE A 76 -4.013 3.328 7.322 1.00 52.30 H new ATOM 1171 N GLU A 77 0.644 3.236 11.156 1.00 21.45 N ATOM 1172 CA GLU A 77 0.848 4.009 12.360 1.00 53.21 C ATOM 1173 C GLU A 77 0.453 5.460 12.069 1.00 33.32 C ATOM 1174 O GLU A 77 -0.212 5.736 11.069 1.00 1.14 O ATOM 1175 CB GLU A 77 2.278 3.772 12.858 1.00 23.23 C ATOM 1176 CG GLU A 77 2.486 2.270 13.133 1.00 44.11 C ATOM 1177 CD GLU A 77 3.689 2.012 14.029 1.00 12.11 C ATOM 1178 OE1 GLU A 77 4.835 2.317 13.626 1.00 64.50 O ATOM 1179 OE2 GLU A 77 3.519 1.351 15.073 1.00 54.44 O ATOM 0 H GLU A 77 1.350 3.399 10.438 1.00 21.45 H new ATOM 0 HA GLU A 77 0.213 3.702 13.191 1.00 53.21 H new ATOM 0 HB2 GLU A 77 2.995 4.119 12.114 1.00 23.23 H new ATOM 0 HB3 GLU A 77 2.458 4.347 13.766 1.00 23.23 H new ATOM 0 HG2 GLU A 77 1.591 1.861 13.602 1.00 44.11 H new ATOM 0 HG3 GLU A 77 2.619 1.744 12.188 1.00 44.11 H new ATOM 1186 N ASP A 78 0.841 6.371 12.955 1.00 23.24 N ATOM 1187 CA ASP A 78 0.369 7.753 13.087 1.00 23.41 C ATOM 1188 C ASP A 78 0.262 8.457 11.737 1.00 31.15 C ATOM 1189 O ASP A 78 -0.814 8.901 11.326 1.00 22.22 O ATOM 1190 CB ASP A 78 1.409 8.469 13.953 1.00 13.12 C ATOM 1191 CG ASP A 78 1.084 9.929 14.214 1.00 32.51 C ATOM 1192 OD1 ASP A 78 0.444 10.219 15.249 1.00 22.43 O ATOM 1193 OD2 ASP A 78 1.667 10.782 13.509 1.00 51.10 O ATOM 0 H ASP A 78 1.548 6.149 13.656 1.00 23.24 H new ATOM 0 HA ASP A 78 -0.629 7.768 13.525 1.00 23.41 H new ATOM 0 HB2 ASP A 78 1.495 7.949 14.907 1.00 13.12 H new ATOM 0 HB3 ASP A 78 2.382 8.404 13.466 1.00 13.12 H new ATOM 1198 N ASN A 79 1.379 8.488 11.022 1.00 42.04 N ATOM 1199 CA ASN A 79 1.476 8.915 9.642 1.00 2.11 C ATOM 1200 C ASN A 79 2.571 8.133 8.919 1.00 43.24 C ATOM 1201 O ASN A 79 3.037 8.581 7.870 1.00 10.02 O ATOM 1202 CB ASN A 79 1.706 10.420 9.560 1.00 71.30 C ATOM 1203 CG ASN A 79 3.131 10.835 9.884 1.00 12.42 C ATOM 1204 OD1 ASN A 79 3.806 10.290 10.751 1.00 41.12 O ATOM 1205 ND2 ASN A 79 3.619 11.843 9.195 1.00 52.12 N ATOM 0 H ASN A 79 2.278 8.203 11.410 1.00 42.04 H new ATOM 0 HA ASN A 79 0.532 8.703 9.140 1.00 2.11 H new ATOM 0 HB2 ASN A 79 1.456 10.763 8.556 1.00 71.30 H new ATOM 0 HB3 ASN A 79 1.025 10.921 10.248 1.00 71.30 H new ATOM 0 HD21 ASN A 79 4.565 12.177 9.380 1.00 52.12 H new ATOM 0 HD22 ASN A 79 3.052 12.291 8.476 1.00 52.12 H new ATOM 1212 N GLU A 80 2.969 6.960 9.422 1.00 62.44 N ATOM 1213 CA GLU A 80 3.931 6.061 8.789 1.00 64.34 C ATOM 1214 C GLU A 80 3.230 4.730 8.501 1.00 73.42 C ATOM 1215 O GLU A 80 2.973 3.943 9.411 1.00 31.33 O ATOM 1216 CB GLU A 80 5.198 5.876 9.648 1.00 12.22 C ATOM 1217 CG GLU A 80 6.087 7.138 9.730 1.00 62.14 C ATOM 1218 CD GLU A 80 7.580 6.829 9.574 1.00 10.14 C ATOM 1219 OE1 GLU A 80 8.089 5.917 10.264 1.00 42.22 O ATOM 1220 OE2 GLU A 80 8.211 7.472 8.698 1.00 30.35 O ATOM 0 H GLU A 80 2.617 6.601 10.310 1.00 62.44 H new ATOM 0 HA GLU A 80 4.275 6.498 7.851 1.00 64.34 H new ATOM 0 HB2 GLU A 80 4.903 5.585 10.656 1.00 12.22 H new ATOM 0 HB3 GLU A 80 5.786 5.055 9.239 1.00 12.22 H new ATOM 0 HG2 GLU A 80 5.784 7.841 8.954 1.00 62.14 H new ATOM 0 HG3 GLU A 80 5.922 7.631 10.688 1.00 62.14 H new ATOM 1227 N LEU A 81 2.887 4.496 7.234 1.00 65.30 N ATOM 1228 CA LEU A 81 2.422 3.222 6.695 1.00 5.02 C ATOM 1229 C LEU A 81 3.660 2.417 6.305 1.00 73.44 C ATOM 1230 O LEU A 81 4.631 2.982 5.792 1.00 33.51 O ATOM 1231 CB LEU A 81 1.515 3.502 5.478 1.00 52.01 C ATOM 1232 CG LEU A 81 1.224 2.317 4.536 1.00 41.02 C ATOM 1233 CD1 LEU A 81 0.214 1.359 5.157 1.00 25.32 C ATOM 1234 CD2 LEU A 81 0.675 2.822 3.198 1.00 10.24 C ATOM 0 H LEU A 81 2.929 5.226 6.523 1.00 65.30 H new ATOM 0 HA LEU A 81 1.839 2.655 7.421 1.00 5.02 H new ATOM 0 HB2 LEU A 81 0.563 3.884 5.846 1.00 52.01 H new ATOM 0 HB3 LEU A 81 1.973 4.298 4.890 1.00 52.01 H new ATOM 0 HG LEU A 81 2.162 1.787 4.372 1.00 41.02 H new ATOM 0 HD11 LEU A 81 0.027 0.533 4.471 1.00 25.32 H new ATOM 0 HD12 LEU A 81 0.611 0.970 6.095 1.00 25.32 H new ATOM 0 HD13 LEU A 81 -0.719 1.889 5.350 1.00 25.32 H new ATOM 0 HD21 LEU A 81 0.474 1.974 2.544 1.00 10.24 H new ATOM 0 HD22 LEU A 81 -0.249 3.375 3.369 1.00 10.24 H new ATOM 0 HD23 LEU A 81 1.408 3.477 2.728 1.00 10.24 H new ATOM 1246 N LYS A 82 3.633 1.100 6.513 1.00 74.21 N ATOM 1247 CA LYS A 82 4.700 0.190 6.122 1.00 42.42 C ATOM 1248 C LYS A 82 4.090 -0.989 5.390 1.00 64.20 C ATOM 1249 O LYS A 82 3.043 -1.482 5.818 1.00 10.34 O ATOM 1250 CB LYS A 82 5.471 -0.339 7.343 1.00 43.41 C ATOM 1251 CG LYS A 82 5.810 0.690 8.436 1.00 74.50 C ATOM 1252 CD LYS A 82 4.700 0.962 9.466 1.00 4.42 C ATOM 1253 CE LYS A 82 5.135 1.992 10.510 1.00 14.13 C ATOM 1254 NZ LYS A 82 6.233 1.510 11.371 1.00 52.21 N ATOM 0 H LYS A 82 2.850 0.630 6.968 1.00 74.21 H new ATOM 0 HA LYS A 82 5.396 0.736 5.485 1.00 42.42 H new ATOM 0 HB2 LYS A 82 4.886 -1.139 7.796 1.00 43.41 H new ATOM 0 HB3 LYS A 82 6.402 -0.785 6.993 1.00 43.41 H new ATOM 0 HG2 LYS A 82 6.698 0.348 8.968 1.00 74.50 H new ATOM 0 HG3 LYS A 82 6.071 1.632 7.954 1.00 74.50 H new ATOM 0 HD2 LYS A 82 3.807 1.319 8.953 1.00 4.42 H new ATOM 0 HD3 LYS A 82 4.430 0.031 9.964 1.00 4.42 H new ATOM 0 HE2 LYS A 82 5.451 2.904 10.003 1.00 14.13 H new ATOM 0 HE3 LYS A 82 4.280 2.254 11.133 1.00 14.13 H new ATOM 0 HZ1 LYS A 82 6.000 1.696 12.367 1.00 52.21 H new ATOM 0 HZ2 LYS A 82 6.361 0.487 11.231 1.00 52.21 H new ATOM 0 HZ3 LYS A 82 7.113 2.006 11.122 1.00 52.21 H new ATOM 1268 N VAL A 83 4.797 -1.508 4.389 1.00 32.23 N ATOM 1269 CA VAL A 83 4.502 -2.789 3.766 1.00 45.22 C ATOM 1270 C VAL A 83 5.801 -3.592 3.754 1.00 54.43 C ATOM 1271 O VAL A 83 6.813 -3.132 3.214 1.00 42.30 O ATOM 1272 CB VAL A 83 3.875 -2.599 2.369 1.00 12.13 C ATOM 1273 CG1 VAL A 83 3.829 -3.921 1.596 1.00 42.33 C ATOM 1274 CG2 VAL A 83 2.449 -2.039 2.470 1.00 52.32 C ATOM 0 H VAL A 83 5.606 -1.038 3.983 1.00 32.23 H new ATOM 0 HA VAL A 83 3.751 -3.344 4.329 1.00 45.22 H new ATOM 0 HB VAL A 83 4.507 -1.889 1.835 1.00 12.13 H new ATOM 0 HG11 VAL A 83 3.382 -3.754 0.616 1.00 42.33 H new ATOM 0 HG12 VAL A 83 4.841 -4.306 1.472 1.00 42.33 H new ATOM 0 HG13 VAL A 83 3.231 -4.645 2.149 1.00 42.33 H new ATOM 0 HG21 VAL A 83 2.035 -1.916 1.469 1.00 52.32 H new ATOM 0 HG22 VAL A 83 1.826 -2.730 3.039 1.00 52.32 H new ATOM 0 HG23 VAL A 83 2.472 -1.073 2.974 1.00 52.32 H new ATOM 1284 N ILE A 84 5.771 -4.783 4.351 1.00 13.22 N ATOM 1285 CA ILE A 84 6.849 -5.761 4.344 1.00 12.45 C ATOM 1286 C ILE A 84 6.329 -6.986 3.590 1.00 10.24 C ATOM 1287 O ILE A 84 5.157 -7.347 3.726 1.00 50.41 O ATOM 1288 CB ILE A 84 7.299 -6.040 5.797 1.00 13.12 C ATOM 1289 CG1 ILE A 84 7.913 -4.763 6.424 1.00 63.52 C ATOM 1290 CG2 ILE A 84 8.344 -7.167 5.864 1.00 52.23 C ATOM 1291 CD1 ILE A 84 6.934 -3.933 7.261 1.00 10.35 C ATOM 0 H ILE A 84 4.957 -5.103 4.875 1.00 13.22 H new ATOM 0 HA ILE A 84 7.745 -5.410 3.832 1.00 12.45 H new ATOM 0 HB ILE A 84 6.413 -6.347 6.352 1.00 13.12 H new ATOM 0 HG12 ILE A 84 8.755 -5.051 7.053 1.00 63.52 H new ATOM 0 HG13 ILE A 84 8.311 -4.137 5.626 1.00 63.52 H new ATOM 0 HG21 ILE A 84 8.634 -7.333 6.901 1.00 52.23 H new ATOM 0 HG22 ILE A 84 7.918 -8.083 5.456 1.00 52.23 H new ATOM 0 HG23 ILE A 84 9.221 -6.885 5.282 1.00 52.23 H new ATOM 0 HD11 ILE A 84 7.448 -3.059 7.661 1.00 10.35 H new ATOM 0 HD12 ILE A 84 6.103 -3.610 6.634 1.00 10.35 H new ATOM 0 HD13 ILE A 84 6.554 -4.539 8.084 1.00 10.35 H new ATOM 1303 N ILE A 85 7.181 -7.581 2.751 1.00 52.01 N ATOM 1304 CA ILE A 85 6.827 -8.597 1.767 1.00 62.13 C ATOM 1305 C ILE A 85 7.882 -9.700 1.849 1.00 44.12 C ATOM 1306 O ILE A 85 9.082 -9.407 1.872 1.00 44.31 O ATOM 1307 CB ILE A 85 6.763 -7.987 0.342 1.00 32.32 C ATOM 1308 CG1 ILE A 85 6.023 -6.628 0.327 1.00 41.40 C ATOM 1309 CG2 ILE A 85 6.119 -8.998 -0.625 1.00 13.44 C ATOM 1310 CD1 ILE A 85 5.991 -5.933 -1.031 1.00 52.13 C ATOM 0 H ILE A 85 8.176 -7.356 2.742 1.00 52.01 H new ATOM 0 HA ILE A 85 5.839 -9.005 1.978 1.00 62.13 H new ATOM 0 HB ILE A 85 7.780 -7.783 0.008 1.00 32.32 H new ATOM 0 HG12 ILE A 85 4.998 -6.784 0.664 1.00 41.40 H new ATOM 0 HG13 ILE A 85 6.498 -5.963 1.049 1.00 41.40 H new ATOM 0 HG21 ILE A 85 6.075 -8.567 -1.625 1.00 13.44 H new ATOM 0 HG22 ILE A 85 6.716 -9.910 -0.648 1.00 13.44 H new ATOM 0 HG23 ILE A 85 5.110 -9.233 -0.287 1.00 13.44 H new ATOM 0 HD11 ILE A 85 5.452 -4.989 -0.944 1.00 52.13 H new ATOM 0 HD12 ILE A 85 7.010 -5.739 -1.365 1.00 52.13 H new ATOM 0 HD13 ILE A 85 5.487 -6.573 -1.755 1.00 52.13 H new ATOM 1322 N ASN A 86 7.411 -10.946 1.885 1.00 1.14 N ATOM 1323 CA ASN A 86 8.212 -12.158 1.996 1.00 51.41 C ATOM 1324 C ASN A 86 8.573 -12.705 0.620 1.00 3.21 C ATOM 1325 O ASN A 86 8.057 -12.257 -0.406 1.00 71.41 O ATOM 1326 CB ASN A 86 7.429 -13.242 2.764 1.00 44.02 C ATOM 1327 CG ASN A 86 7.466 -13.022 4.257 1.00 1.05 C ATOM 1328 OD1 ASN A 86 8.207 -13.695 4.967 1.00 14.02 O ATOM 1329 ND2 ASN A 86 6.692 -12.083 4.766 1.00 31.51 N ATOM 0 H ASN A 86 6.412 -11.144 1.835 1.00 1.14 H new ATOM 0 HA ASN A 86 9.126 -11.902 2.532 1.00 51.41 H new ATOM 0 HB2 ASN A 86 6.393 -13.248 2.425 1.00 44.02 H new ATOM 0 HB3 ASN A 86 7.846 -14.222 2.532 1.00 44.02 H new ATOM 0 HD21 ASN A 86 6.701 -11.903 5.770 1.00 31.51 H new ATOM 0 HD22 ASN A 86 6.084 -11.537 4.156 1.00 31.51 H new ATOM 1336 N ARG A 87 9.415 -13.737 0.620 1.00 3.24 N ATOM 1337 CA ARG A 87 9.740 -14.548 -0.541 1.00 13.03 C ATOM 1338 C ARG A 87 8.549 -15.410 -0.954 1.00 14.23 C ATOM 1339 O ARG A 87 7.880 -16.005 -0.101 1.00 31.53 O ATOM 1340 CB ARG A 87 11.005 -15.362 -0.211 1.00 41.21 C ATOM 1341 CG ARG A 87 11.465 -16.246 -1.378 1.00 33.33 C ATOM 1342 CD ARG A 87 10.934 -17.677 -1.304 1.00 12.04 C ATOM 1343 NE ARG A 87 12.020 -18.634 -1.060 1.00 3.34 N ATOM 1344 CZ ARG A 87 12.044 -19.623 -0.165 1.00 43.31 C ATOM 1345 NH1 ARG A 87 10.994 -19.880 0.609 1.00 62.41 N ATOM 1346 NH2 ARG A 87 13.144 -20.357 -0.042 1.00 45.30 N ATOM 0 H ARG A 87 9.905 -14.038 1.462 1.00 3.24 H new ATOM 0 HA ARG A 87 9.953 -13.923 -1.409 1.00 13.03 H new ATOM 0 HB2 ARG A 87 11.810 -14.679 0.061 1.00 41.21 H new ATOM 0 HB3 ARG A 87 10.811 -15.989 0.659 1.00 41.21 H new ATOM 0 HG2 ARG A 87 11.141 -15.794 -2.316 1.00 33.33 H new ATOM 0 HG3 ARG A 87 12.555 -16.272 -1.397 1.00 33.33 H new ATOM 0 HD2 ARG A 87 10.194 -17.752 -0.508 1.00 12.04 H new ATOM 0 HD3 ARG A 87 10.427 -17.928 -2.236 1.00 12.04 H new ATOM 0 HE ARG A 87 12.852 -18.531 -1.641 1.00 3.34 H new ATOM 0 HH11 ARG A 87 10.148 -19.316 0.525 1.00 62.41 H new ATOM 0 HH12 ARG A 87 11.034 -20.641 1.287 1.00 62.41 H new ATOM 0 HH21 ARG A 87 13.956 -20.161 -0.628 1.00 45.30 H new ATOM 0 HH22 ARG A 87 13.177 -21.116 0.638 1.00 45.30 H new ATOM 1360 N ASN A 88 8.327 -15.514 -2.261 1.00 45.24 N ATOM 1361 CA ASN A 88 7.324 -16.317 -2.942 1.00 14.02 C ATOM 1362 C ASN A 88 7.791 -17.758 -3.053 1.00 74.12 C ATOM 1363 O ASN A 88 8.748 -18.024 -3.772 1.00 73.30 O ATOM 1364 CB ASN A 88 7.096 -15.768 -4.366 1.00 32.35 C ATOM 1365 CG ASN A 88 5.982 -16.477 -5.125 1.00 31.51 C ATOM 1366 OD1 ASN A 88 5.362 -17.419 -4.640 1.00 64.10 O ATOM 1367 ND2 ASN A 88 5.695 -16.036 -6.337 1.00 3.11 N ATOM 0 H ASN A 88 8.896 -14.991 -2.926 1.00 45.24 H new ATOM 0 HA ASN A 88 6.399 -16.273 -2.367 1.00 14.02 H new ATOM 0 HB2 ASN A 88 6.861 -14.705 -4.303 1.00 32.35 H new ATOM 0 HB3 ASN A 88 8.023 -15.856 -4.933 1.00 32.35 H new ATOM 0 HD21 ASN A 88 4.953 -16.479 -6.878 1.00 3.11 H new ATOM 0 HD22 ASN A 88 6.216 -15.253 -6.731 1.00 3.11 H new ATOM 1374 N GLU A 89 7.135 -18.702 -2.383 1.00 50.23 N ATOM 1375 CA GLU A 89 7.518 -20.111 -2.470 1.00 43.23 C ATOM 1376 C GLU A 89 6.880 -20.838 -3.666 1.00 11.41 C ATOM 1377 O GLU A 89 6.853 -22.070 -3.669 1.00 42.24 O ATOM 1378 CB GLU A 89 7.272 -20.828 -1.132 1.00 42.04 C ATOM 1379 CG GLU A 89 5.806 -20.918 -0.689 1.00 34.53 C ATOM 1380 CD GLU A 89 5.641 -21.966 0.416 1.00 74.30 C ATOM 1381 OE1 GLU A 89 6.389 -21.918 1.420 1.00 53.31 O ATOM 1382 OE2 GLU A 89 4.772 -22.860 0.277 1.00 31.42 O ATOM 0 H GLU A 89 6.337 -18.519 -1.775 1.00 50.23 H new ATOM 0 HA GLU A 89 8.590 -20.142 -2.665 1.00 43.23 H new ATOM 0 HB2 GLU A 89 7.675 -21.839 -1.202 1.00 42.04 H new ATOM 0 HB3 GLU A 89 7.837 -20.313 -0.355 1.00 42.04 H new ATOM 0 HG2 GLU A 89 5.469 -19.946 -0.329 1.00 34.53 H new ATOM 0 HG3 GLU A 89 5.178 -21.178 -1.541 1.00 34.53 H new ATOM 1389 N THR A 90 6.354 -20.127 -4.670 1.00 14.41 N ATOM 1390 CA THR A 90 5.687 -20.746 -5.812 1.00 31.23 C ATOM 1391 C THR A 90 6.213 -20.225 -7.148 1.00 65.42 C ATOM 1392 O THR A 90 6.789 -19.139 -7.259 1.00 70.11 O ATOM 1393 CB THR A 90 4.161 -20.584 -5.709 1.00 42.10 C ATOM 1394 OG1 THR A 90 3.770 -19.227 -5.755 1.00 51.41 O ATOM 1395 CG2 THR A 90 3.585 -21.223 -4.449 1.00 72.24 C ATOM 0 H THR A 90 6.381 -19.108 -4.710 1.00 14.41 H new ATOM 0 HA THR A 90 5.921 -21.810 -5.781 1.00 31.23 H new ATOM 0 HB THR A 90 3.757 -21.105 -6.577 1.00 42.10 H new ATOM 0 HG1 THR A 90 4.315 -18.708 -5.127 1.00 51.41 H new ATOM 0 HG21 THR A 90 2.505 -21.078 -4.429 1.00 72.24 H new ATOM 0 HG22 THR A 90 3.808 -22.290 -4.448 1.00 72.24 H new ATOM 0 HG23 THR A 90 4.030 -20.758 -3.569 1.00 72.24 H new ATOM 1403 N ASN A 91 5.953 -21.010 -8.192 1.00 70.24 N ATOM 1404 CA ASN A 91 6.368 -20.760 -9.567 1.00 32.34 C ATOM 1405 C ASN A 91 5.484 -19.768 -10.320 1.00 23.43 C ATOM 1406 O ASN A 91 5.690 -19.575 -11.510 1.00 70.34 O ATOM 1407 CB ASN A 91 6.442 -22.095 -10.322 1.00 1.45 C ATOM 1408 CG ASN A 91 5.137 -22.795 -10.703 1.00 31.15 C ATOM 1409 OD1 ASN A 91 3.953 -22.302 -10.369 1.00 65.43 O flip ATOM 1410 ND2 ASN A 91 5.198 -23.885 -11.256 1.00 52.24 N flip ATOM 0 H ASN A 91 5.423 -21.876 -8.096 1.00 70.24 H new ATOM 0 HA ASN A 91 7.350 -20.289 -9.517 1.00 32.34 H new ATOM 0 HB2 ASN A 91 7.006 -21.926 -11.239 1.00 1.45 H new ATOM 0 HB3 ASN A 91 7.023 -22.788 -9.713 1.00 1.45 H new ATOM 0 HD21 ASN A 91 6.104 -24.274 -11.518 1.00 52.24 H new ATOM 0 HD22 ASN A 91 4.343 -24.404 -11.455 1.00 52.24 H new ATOM 1417 N ALA A 92 4.483 -19.175 -9.664 1.00 22.11 N ATOM 1418 CA ALA A 92 3.527 -18.278 -10.295 1.00 42.04 C ATOM 1419 C ALA A 92 3.701 -16.890 -9.690 1.00 32.52 C ATOM 1420 O ALA A 92 3.713 -16.747 -8.461 1.00 33.41 O ATOM 1421 CB ALA A 92 2.103 -18.806 -10.106 1.00 54.41 C ATOM 0 H ALA A 92 4.317 -19.310 -8.667 1.00 22.11 H new ATOM 0 HA ALA A 92 3.706 -18.221 -11.369 1.00 42.04 H new ATOM 0 HB1 ALA A 92 1.397 -18.126 -10.583 1.00 54.41 H new ATOM 0 HB2 ALA A 92 2.018 -19.794 -10.559 1.00 54.41 H new ATOM 0 HB3 ALA A 92 1.879 -18.875 -9.042 1.00 54.41 H new ATOM 1427 N SER A 93 3.855 -15.887 -10.552 1.00 21.45 N ATOM 1428 CA SER A 93 3.878 -14.486 -10.171 1.00 22.53 C ATOM 1429 C SER A 93 2.469 -14.061 -9.748 1.00 4.43 C ATOM 1430 O SER A 93 1.471 -14.658 -10.169 1.00 50.40 O ATOM 1431 CB SER A 93 4.414 -13.628 -11.332 1.00 73.13 C ATOM 1432 OG SER A 93 4.437 -14.284 -12.595 1.00 45.10 O ATOM 0 H SER A 93 3.969 -16.034 -11.555 1.00 21.45 H new ATOM 0 HA SER A 93 4.550 -14.337 -9.325 1.00 22.53 H new ATOM 0 HB2 SER A 93 3.801 -12.730 -11.415 1.00 73.13 H new ATOM 0 HB3 SER A 93 5.425 -13.302 -11.088 1.00 73.13 H new ATOM 0 HG SER A 93 4.788 -13.672 -13.275 1.00 45.10 H new ATOM 1438 N ARG A 94 2.376 -13.029 -8.908 1.00 30.22 N ATOM 1439 CA ARG A 94 1.108 -12.578 -8.354 1.00 12.05 C ATOM 1440 C ARG A 94 1.186 -11.099 -8.011 1.00 51.42 C ATOM 1441 O ARG A 94 2.153 -10.429 -8.381 1.00 54.14 O ATOM 1442 CB ARG A 94 0.709 -13.498 -7.185 1.00 51.13 C ATOM 1443 CG ARG A 94 1.735 -13.596 -6.043 1.00 11.04 C ATOM 1444 CD ARG A 94 1.359 -14.740 -5.095 1.00 13.12 C ATOM 1445 NE ARG A 94 -0.032 -14.644 -4.609 1.00 74.31 N ATOM 1446 CZ ARG A 94 -0.657 -15.559 -3.863 1.00 30.22 C ATOM 1447 NH1 ARG A 94 -0.058 -16.716 -3.590 1.00 14.12 N ATOM 1448 NH2 ARG A 94 -1.865 -15.289 -3.376 1.00 51.03 N ATOM 0 H ARG A 94 3.180 -12.485 -8.595 1.00 30.22 H new ATOM 0 HA ARG A 94 0.304 -12.658 -9.086 1.00 12.05 H new ATOM 0 HB2 ARG A 94 -0.236 -13.144 -6.772 1.00 51.13 H new ATOM 0 HB3 ARG A 94 0.530 -14.499 -7.577 1.00 51.13 H new ATOM 0 HG2 ARG A 94 2.731 -13.765 -6.452 1.00 11.04 H new ATOM 0 HG3 ARG A 94 1.771 -12.655 -5.494 1.00 11.04 H new ATOM 0 HD2 ARG A 94 1.495 -15.692 -5.609 1.00 13.12 H new ATOM 0 HD3 ARG A 94 2.038 -14.738 -4.243 1.00 13.12 H new ATOM 0 HE ARG A 94 -0.560 -13.809 -4.864 1.00 74.31 H new ATOM 0 HH11 ARG A 94 0.878 -16.903 -3.950 1.00 14.12 H new ATOM 0 HH12 ARG A 94 -0.535 -17.415 -3.020 1.00 14.12 H new ATOM 0 HH21 ARG A 94 -2.305 -14.390 -3.573 1.00 51.03 H new ATOM 0 HH22 ARG A 94 -2.351 -15.981 -2.805 1.00 51.03 H new ATOM 1462 N SER A 95 0.153 -10.556 -7.378 1.00 70.34 N ATOM 1463 CA SER A 95 0.120 -9.148 -7.023 1.00 23.54 C ATOM 1464 C SER A 95 -0.812 -8.888 -5.856 1.00 42.22 C ATOM 1465 O SER A 95 -1.812 -9.590 -5.654 1.00 45.03 O ATOM 1466 CB SER A 95 -0.322 -8.302 -8.227 1.00 25.12 C ATOM 1467 OG SER A 95 -1.379 -8.960 -8.914 1.00 11.25 O ATOM 0 H SER A 95 -0.678 -11.077 -7.099 1.00 70.34 H new ATOM 0 HA SER A 95 1.130 -8.864 -6.727 1.00 23.54 H new ATOM 0 HB2 SER A 95 -0.651 -7.318 -7.891 1.00 25.12 H new ATOM 0 HB3 SER A 95 0.520 -8.144 -8.901 1.00 25.12 H new ATOM 0 HG SER A 95 -1.659 -8.417 -9.680 1.00 11.25 H new ATOM 1473 N PHE A 96 -0.505 -7.837 -5.119 1.00 65.14 N ATOM 1474 CA PHE A 96 -1.352 -7.239 -4.125 1.00 54.02 C ATOM 1475 C PHE A 96 -1.926 -5.965 -4.723 1.00 3.12 C ATOM 1476 O PHE A 96 -1.398 -5.382 -5.676 1.00 43.20 O ATOM 1477 CB PHE A 96 -0.562 -6.964 -2.835 1.00 24.54 C ATOM 1478 CG PHE A 96 -0.744 -8.029 -1.778 1.00 42.42 C ATOM 1479 CD1 PHE A 96 0.089 -9.163 -1.760 1.00 4.32 C ATOM 1480 CD2 PHE A 96 -1.751 -7.877 -0.806 1.00 2.03 C ATOM 1481 CE1 PHE A 96 -0.103 -10.133 -0.759 1.00 44.32 C ATOM 1482 CE2 PHE A 96 -1.953 -8.866 0.170 1.00 71.12 C ATOM 1483 CZ PHE A 96 -1.128 -10.000 0.191 1.00 1.02 C ATOM 0 H PHE A 96 0.391 -7.358 -5.209 1.00 65.14 H new ATOM 0 HA PHE A 96 -2.164 -7.911 -3.849 1.00 54.02 H new ATOM 0 HB2 PHE A 96 0.497 -6.882 -3.078 1.00 24.54 H new ATOM 0 HB3 PHE A 96 -0.871 -6.002 -2.427 1.00 24.54 H new ATOM 0 HD1 PHE A 96 0.863 -9.287 -2.503 1.00 4.32 H new ATOM 0 HD2 PHE A 96 -2.372 -6.994 -0.811 1.00 2.03 H new ATOM 0 HE1 PHE A 96 0.549 -10.994 -0.721 1.00 44.32 H new ATOM 0 HE2 PHE A 96 -2.740 -8.754 0.901 1.00 71.12 H new ATOM 0 HZ PHE A 96 -1.281 -10.768 0.935 1.00 1.02 H new ATOM 1493 N THR A 97 -2.997 -5.480 -4.124 1.00 30.23 N ATOM 1494 CA THR A 97 -3.382 -4.091 -4.258 1.00 5.03 C ATOM 1495 C THR A 97 -3.853 -3.683 -2.879 1.00 72.32 C ATOM 1496 O THR A 97 -4.540 -4.464 -2.214 1.00 11.25 O ATOM 1497 CB THR A 97 -4.455 -3.899 -5.342 1.00 50.31 C ATOM 1498 OG1 THR A 97 -4.169 -4.688 -6.481 1.00 50.13 O ATOM 1499 CG2 THR A 97 -4.569 -2.438 -5.779 1.00 71.43 C ATOM 0 H THR A 97 -3.619 -6.034 -3.536 1.00 30.23 H new ATOM 0 HA THR A 97 -2.556 -3.463 -4.590 1.00 5.03 H new ATOM 0 HB THR A 97 -5.401 -4.212 -4.900 1.00 50.31 H new ATOM 0 HG1 THR A 97 -4.284 -5.636 -6.260 1.00 50.13 H new ATOM 0 HG21 THR A 97 -5.338 -2.347 -6.546 1.00 71.43 H new ATOM 0 HG22 THR A 97 -4.837 -1.821 -4.921 1.00 71.43 H new ATOM 0 HG23 THR A 97 -3.613 -2.103 -6.182 1.00 71.43 H new ATOM 1507 N VAL A 98 -3.456 -2.497 -2.446 1.00 21.21 N ATOM 1508 CA VAL A 98 -3.828 -1.927 -1.169 1.00 65.10 C ATOM 1509 C VAL A 98 -4.315 -0.521 -1.489 1.00 30.43 C ATOM 1510 O VAL A 98 -3.577 0.253 -2.099 1.00 61.11 O ATOM 1511 CB VAL A 98 -2.636 -1.981 -0.187 1.00 12.21 C ATOM 1512 CG1 VAL A 98 -2.405 -3.400 0.353 1.00 1.24 C ATOM 1513 CG2 VAL A 98 -1.311 -1.510 -0.792 1.00 21.14 C ATOM 0 H VAL A 98 -2.847 -1.889 -2.994 1.00 21.21 H new ATOM 0 HA VAL A 98 -4.618 -2.479 -0.659 1.00 65.10 H new ATOM 0 HB VAL A 98 -2.924 -1.297 0.612 1.00 12.21 H new ATOM 0 HG11 VAL A 98 -1.558 -3.395 1.040 1.00 1.24 H new ATOM 0 HG12 VAL A 98 -3.297 -3.739 0.880 1.00 1.24 H new ATOM 0 HG13 VAL A 98 -2.195 -4.075 -0.476 1.00 1.24 H new ATOM 0 HG21 VAL A 98 -0.524 -1.578 -0.041 1.00 21.14 H new ATOM 0 HG22 VAL A 98 -1.055 -2.140 -1.644 1.00 21.14 H new ATOM 0 HG23 VAL A 98 -1.409 -0.476 -1.123 1.00 21.14 H new ATOM 1523 N CYS A 99 -5.573 -0.216 -1.169 1.00 42.11 N ATOM 1524 CA CYS A 99 -6.121 1.120 -1.300 1.00 34.14 C ATOM 1525 C CYS A 99 -6.553 1.558 0.082 1.00 12.03 C ATOM 1526 O CYS A 99 -7.361 0.887 0.730 1.00 71.34 O ATOM 1527 CB CYS A 99 -7.250 1.165 -2.332 1.00 70.20 C ATOM 1528 SG CYS A 99 -7.936 2.847 -2.473 1.00 4.11 S ATOM 0 H CYS A 99 -6.239 -0.899 -0.810 1.00 42.11 H new ATOM 0 HA CYS A 99 -5.374 1.817 -1.681 1.00 34.14 H new ATOM 0 HB2 CYS A 99 -6.875 0.839 -3.302 1.00 70.20 H new ATOM 0 HB3 CYS A 99 -8.038 0.469 -2.045 1.00 70.20 H new ATOM 0 HG CYS A 99 -6.993 3.719 -2.272 1.00 4.11 H new ATOM 1534 N VAL A 100 -6.017 2.692 0.506 1.00 5.05 N ATOM 1535 CA VAL A 100 -6.273 3.312 1.787 1.00 10.21 C ATOM 1536 C VAL A 100 -7.188 4.509 1.540 1.00 53.14 C ATOM 1537 O VAL A 100 -7.133 5.109 0.461 1.00 30.11 O ATOM 1538 CB VAL A 100 -4.929 3.688 2.451 1.00 1.03 C ATOM 1539 CG1 VAL A 100 -4.111 2.424 2.767 1.00 5.44 C ATOM 1540 CG2 VAL A 100 -4.037 4.616 1.606 1.00 64.32 C ATOM 0 H VAL A 100 -5.361 3.226 -0.064 1.00 5.05 H new ATOM 0 HA VAL A 100 -6.776 2.639 2.482 1.00 10.21 H new ATOM 0 HB VAL A 100 -5.211 4.228 3.355 1.00 1.03 H new ATOM 0 HG11 VAL A 100 -3.168 2.708 3.234 1.00 5.44 H new ATOM 0 HG12 VAL A 100 -4.675 1.786 3.447 1.00 5.44 H new ATOM 0 HG13 VAL A 100 -3.909 1.881 1.844 1.00 5.44 H new ATOM 0 HG21 VAL A 100 -3.116 4.828 2.148 1.00 64.32 H new ATOM 0 HG22 VAL A 100 -3.798 4.129 0.661 1.00 64.32 H new ATOM 0 HG23 VAL A 100 -4.565 5.549 1.410 1.00 64.32 H new ATOM 1550 N GLU A 101 -8.015 4.876 2.520 1.00 63.52 N ATOM 1551 CA GLU A 101 -8.707 6.159 2.493 1.00 1.05 C ATOM 1552 C GLU A 101 -8.405 6.904 3.787 1.00 11.43 C ATOM 1553 O GLU A 101 -8.176 6.291 4.836 1.00 53.43 O ATOM 1554 CB GLU A 101 -10.222 6.008 2.279 1.00 5.44 C ATOM 1555 CG GLU A 101 -10.589 5.247 1.004 1.00 43.24 C ATOM 1556 CD GLU A 101 -12.099 5.222 0.732 1.00 63.54 C ATOM 1557 OE1 GLU A 101 -12.840 6.136 1.163 1.00 3.45 O ATOM 1558 OE2 GLU A 101 -12.542 4.250 0.074 1.00 12.45 O ATOM 0 H GLU A 101 -8.220 4.303 3.339 1.00 63.52 H new ATOM 0 HA GLU A 101 -8.341 6.731 1.640 1.00 1.05 H new ATOM 0 HB2 GLU A 101 -10.652 5.491 3.137 1.00 5.44 H new ATOM 0 HB3 GLU A 101 -10.676 6.998 2.244 1.00 5.44 H new ATOM 0 HG2 GLU A 101 -10.080 5.705 0.156 1.00 43.24 H new ATOM 0 HG3 GLU A 101 -10.223 4.223 1.081 1.00 43.24 H new ATOM 1565 N ALA A 102 -8.436 8.234 3.711 1.00 44.22 N ATOM 1566 CA ALA A 102 -8.185 9.152 4.818 1.00 53.02 C ATOM 1567 C ALA A 102 -9.431 9.993 5.104 1.00 31.52 C ATOM 1568 O ALA A 102 -9.325 11.146 5.536 1.00 72.41 O ATOM 1569 CB ALA A 102 -6.962 10.016 4.499 1.00 30.15 C ATOM 0 H ALA A 102 -8.646 8.720 2.839 1.00 44.22 H new ATOM 0 HA ALA A 102 -7.967 8.588 5.725 1.00 53.02 H new ATOM 0 HB1 ALA A 102 -6.775 10.701 5.326 1.00 30.15 H new ATOM 0 HB2 ALA A 102 -6.092 9.376 4.354 1.00 30.15 H new ATOM 0 HB3 ALA A 102 -7.147 10.587 3.589 1.00 30.15 H new ATOM 1575 N GLY A 103 -10.614 9.456 4.800 1.00 3.11 N ATOM 1576 CA GLY A 103 -11.843 10.217 4.701 1.00 61.11 C ATOM 1577 C GLY A 103 -11.941 10.773 3.288 1.00 4.21 C ATOM 1578 O GLY A 103 -12.103 10.002 2.341 1.00 62.24 O ATOM 0 H GLY A 103 -10.738 8.461 4.614 1.00 3.11 H new ATOM 0 HA2 GLY A 103 -12.702 9.583 4.921 1.00 61.11 H new ATOM 0 HA3 GLY A 103 -11.849 11.027 5.430 1.00 61.11 H new ATOM 1582 N ASN A 104 -11.797 12.090 3.159 1.00 51.43 N ATOM 1583 CA ASN A 104 -11.908 12.906 1.947 1.00 25.33 C ATOM 1584 C ASN A 104 -10.656 12.747 1.062 1.00 23.14 C ATOM 1585 O ASN A 104 -10.161 13.737 0.525 1.00 51.42 O ATOM 1586 CB ASN A 104 -12.101 14.384 2.318 1.00 34.53 C ATOM 1587 CG ASN A 104 -13.278 14.647 3.249 1.00 50.30 C ATOM 1588 OD1 ASN A 104 -13.357 14.142 4.371 1.00 43.20 O ATOM 1589 ND2 ASN A 104 -14.225 15.434 2.798 1.00 33.15 N ATOM 0 H ASN A 104 -11.580 12.667 3.972 1.00 51.43 H new ATOM 0 HA ASN A 104 -12.776 12.562 1.384 1.00 25.33 H new ATOM 0 HB2 ASN A 104 -11.190 14.750 2.791 1.00 34.53 H new ATOM 0 HB3 ASN A 104 -12.240 14.961 1.404 1.00 34.53 H new ATOM 0 HD21 ASN A 104 -15.040 15.635 3.377 1.00 33.15 H new ATOM 0 HD22 ASN A 104 -14.147 15.845 1.868 1.00 33.15 H new ATOM 1596 N ALA A 105 -10.050 11.557 1.005 1.00 42.31 N ATOM 1597 CA ALA A 105 -8.935 11.241 0.124 1.00 54.30 C ATOM 1598 C ALA A 105 -8.790 9.731 0.004 1.00 13.11 C ATOM 1599 O ALA A 105 -9.205 8.987 0.898 1.00 74.44 O ATOM 1600 CB ALA A 105 -7.626 11.795 0.688 1.00 43.24 C ATOM 0 H ALA A 105 -10.333 10.770 1.588 1.00 42.31 H new ATOM 0 HA ALA A 105 -9.136 11.690 -0.849 1.00 54.30 H new ATOM 0 HB1 ALA A 105 -6.806 11.548 0.014 1.00 43.24 H new ATOM 0 HB2 ALA A 105 -7.701 12.878 0.786 1.00 43.24 H new ATOM 0 HB3 ALA A 105 -7.436 11.355 1.667 1.00 43.24 H new ATOM 1606 N PHE A 106 -8.082 9.315 -1.043 1.00 4.15 N ATOM 1607 CA PHE A 106 -7.741 7.943 -1.372 1.00 41.02 C ATOM 1608 C PHE A 106 -6.272 7.917 -1.780 1.00 34.32 C ATOM 1609 O PHE A 106 -5.768 8.926 -2.285 1.00 63.30 O ATOM 1610 CB PHE A 106 -8.556 7.474 -2.588 1.00 22.24 C ATOM 1611 CG PHE A 106 -10.064 7.588 -2.501 1.00 44.40 C ATOM 1612 CD1 PHE A 106 -10.697 8.830 -2.710 1.00 74.23 C ATOM 1613 CD2 PHE A 106 -10.838 6.437 -2.278 1.00 62.53 C ATOM 1614 CE1 PHE A 106 -12.100 8.913 -2.712 1.00 65.24 C ATOM 1615 CE2 PHE A 106 -12.241 6.522 -2.292 1.00 5.02 C ATOM 1616 CZ PHE A 106 -12.875 7.758 -2.508 1.00 72.12 C ATOM 0 H PHE A 106 -7.709 9.975 -1.726 1.00 4.15 H new ATOM 0 HA PHE A 106 -7.945 7.301 -0.515 1.00 41.02 H new ATOM 0 HB2 PHE A 106 -8.224 8.044 -3.456 1.00 22.24 H new ATOM 0 HB3 PHE A 106 -8.307 6.430 -2.778 1.00 22.24 H new ATOM 0 HD1 PHE A 106 -10.104 9.718 -2.869 1.00 74.23 H new ATOM 0 HD2 PHE A 106 -10.356 5.488 -2.096 1.00 62.53 H new ATOM 0 HE1 PHE A 106 -12.583 9.866 -2.871 1.00 65.24 H new ATOM 0 HE2 PHE A 106 -12.835 5.633 -2.136 1.00 5.02 H new ATOM 0 HZ PHE A 106 -13.953 7.820 -2.517 1.00 72.12 H new ATOM 1626 N ASP A 107 -5.636 6.754 -1.681 1.00 14.23 N ATOM 1627 CA ASP A 107 -4.440 6.405 -2.442 1.00 65.41 C ATOM 1628 C ASP A 107 -4.487 4.895 -2.675 1.00 53.34 C ATOM 1629 O ASP A 107 -5.099 4.178 -1.877 1.00 50.11 O ATOM 1630 CB ASP A 107 -3.169 6.822 -1.683 1.00 64.31 C ATOM 1631 CG ASP A 107 -2.249 7.701 -2.531 1.00 73.32 C ATOM 1632 OD1 ASP A 107 -2.697 8.722 -3.091 1.00 64.22 O ATOM 1633 OD2 ASP A 107 -1.026 7.465 -2.544 1.00 10.33 O ATOM 0 H ASP A 107 -5.945 6.010 -1.055 1.00 14.23 H new ATOM 0 HA ASP A 107 -4.414 6.933 -3.395 1.00 65.41 H new ATOM 0 HB2 ASP A 107 -3.449 7.361 -0.778 1.00 64.31 H new ATOM 0 HB3 ASP A 107 -2.627 5.930 -1.368 1.00 64.31 H new ATOM 1638 N GLU A 108 -3.869 4.386 -3.741 1.00 22.15 N ATOM 1639 CA GLU A 108 -3.810 2.956 -4.028 1.00 21.13 C ATOM 1640 C GLU A 108 -2.428 2.618 -4.556 1.00 22.15 C ATOM 1641 O GLU A 108 -1.850 3.397 -5.320 1.00 61.41 O ATOM 1642 CB GLU A 108 -4.926 2.549 -5.006 1.00 43.41 C ATOM 1643 CG GLU A 108 -4.925 1.066 -5.421 1.00 50.31 C ATOM 1644 CD GLU A 108 -4.336 0.805 -6.817 1.00 45.00 C ATOM 1645 OE1 GLU A 108 -3.104 0.862 -7.008 1.00 23.21 O ATOM 1646 OE2 GLU A 108 -5.123 0.487 -7.742 1.00 3.32 O ATOM 0 H GLU A 108 -3.392 4.961 -4.435 1.00 22.15 H new ATOM 0 HA GLU A 108 -3.978 2.385 -3.115 1.00 21.13 H new ATOM 0 HB2 GLU A 108 -5.889 2.782 -4.551 1.00 43.41 H new ATOM 0 HB3 GLU A 108 -4.841 3.161 -5.904 1.00 43.41 H new ATOM 0 HG2 GLU A 108 -4.357 0.495 -4.686 1.00 50.31 H new ATOM 0 HG3 GLU A 108 -5.948 0.692 -5.394 1.00 50.31 H new ATOM 1653 N PHE A 109 -1.922 1.458 -4.138 1.00 4.04 N ATOM 1654 CA PHE A 109 -0.611 0.965 -4.493 1.00 70.50 C ATOM 1655 C PHE A 109 -0.754 -0.476 -4.989 1.00 70.50 C ATOM 1656 O PHE A 109 -1.310 -1.323 -4.277 1.00 62.41 O ATOM 1657 CB PHE A 109 0.314 1.083 -3.273 1.00 43.00 C ATOM 1658 CG PHE A 109 0.348 2.451 -2.617 1.00 52.12 C ATOM 1659 CD1 PHE A 109 1.234 3.433 -3.100 1.00 30.41 C ATOM 1660 CD2 PHE A 109 -0.509 2.751 -1.535 1.00 43.24 C ATOM 1661 CE1 PHE A 109 1.274 4.702 -2.499 1.00 11.21 C ATOM 1662 CE2 PHE A 109 -0.471 4.024 -0.941 1.00 13.11 C ATOM 1663 CZ PHE A 109 0.425 4.995 -1.419 1.00 34.11 C ATOM 0 H PHE A 109 -2.436 0.824 -3.526 1.00 4.04 H new ATOM 0 HA PHE A 109 -0.164 1.552 -5.296 1.00 70.50 H new ATOM 0 HB2 PHE A 109 0.003 0.349 -2.529 1.00 43.00 H new ATOM 0 HB3 PHE A 109 1.327 0.819 -3.578 1.00 43.00 H new ATOM 0 HD1 PHE A 109 1.884 3.210 -3.934 1.00 30.41 H new ATOM 0 HD2 PHE A 109 -1.193 2.002 -1.164 1.00 43.24 H new ATOM 0 HE1 PHE A 109 1.958 5.453 -2.867 1.00 11.21 H new ATOM 0 HE2 PHE A 109 -1.130 4.256 -0.118 1.00 13.11 H new ATOM 0 HZ PHE A 109 0.461 5.969 -0.955 1.00 34.11 H new ATOM 1673 N LYS A 110 -0.233 -0.762 -6.188 1.00 14.05 N ATOM 1674 CA LYS A 110 -0.316 -2.058 -6.855 1.00 14.24 C ATOM 1675 C LYS A 110 1.012 -2.810 -6.825 1.00 30.31 C ATOM 1676 O LYS A 110 1.880 -2.611 -7.680 1.00 51.04 O ATOM 1677 CB LYS A 110 -0.874 -1.849 -8.272 1.00 32.31 C ATOM 1678 CG LYS A 110 -1.909 -2.927 -8.631 1.00 54.32 C ATOM 1679 CD LYS A 110 -3.051 -2.283 -9.416 1.00 13.32 C ATOM 1680 CE LYS A 110 -4.212 -3.239 -9.700 1.00 73.14 C ATOM 1681 NZ LYS A 110 -5.299 -2.517 -10.397 1.00 2.45 N ATOM 0 H LYS A 110 0.276 -0.069 -6.737 1.00 14.05 H new ATOM 0 HA LYS A 110 -1.004 -2.706 -6.312 1.00 14.24 H new ATOM 0 HB2 LYS A 110 -1.334 -0.863 -8.342 1.00 32.31 H new ATOM 0 HB3 LYS A 110 -0.057 -1.872 -8.993 1.00 32.31 H new ATOM 0 HG2 LYS A 110 -1.442 -3.714 -9.224 1.00 54.32 H new ATOM 0 HG3 LYS A 110 -2.293 -3.396 -7.725 1.00 54.32 H new ATOM 0 HD2 LYS A 110 -3.426 -1.425 -8.858 1.00 13.32 H new ATOM 0 HD3 LYS A 110 -2.663 -1.904 -10.362 1.00 13.32 H new ATOM 0 HE2 LYS A 110 -3.867 -4.073 -10.311 1.00 73.14 H new ATOM 0 HE3 LYS A 110 -4.584 -3.661 -8.766 1.00 73.14 H new ATOM 0 HZ1 LYS A 110 -6.084 -3.172 -10.587 1.00 2.45 H new ATOM 0 HZ2 LYS A 110 -5.636 -1.736 -9.799 1.00 2.45 H new ATOM 0 HZ3 LYS A 110 -4.941 -2.135 -11.296 1.00 2.45 H new ATOM 1695 N PHE A 111 1.193 -3.671 -5.826 1.00 34.15 N ATOM 1696 CA PHE A 111 2.449 -4.378 -5.632 1.00 53.43 C ATOM 1697 C PHE A 111 2.417 -5.621 -6.497 1.00 52.44 C ATOM 1698 O PHE A 111 1.429 -6.349 -6.470 1.00 1.11 O ATOM 1699 CB PHE A 111 2.623 -4.797 -4.169 1.00 25.53 C ATOM 1700 CG PHE A 111 2.876 -3.678 -3.185 1.00 21.54 C ATOM 1701 CD1 PHE A 111 1.803 -2.912 -2.698 1.00 72.50 C ATOM 1702 CD2 PHE A 111 4.182 -3.419 -2.730 1.00 45.44 C ATOM 1703 CE1 PHE A 111 2.044 -1.881 -1.779 1.00 24.22 C ATOM 1704 CE2 PHE A 111 4.412 -2.417 -1.771 1.00 61.40 C ATOM 1705 CZ PHE A 111 3.340 -1.643 -1.297 1.00 72.52 C ATOM 0 H PHE A 111 0.477 -3.895 -5.135 1.00 34.15 H new ATOM 0 HA PHE A 111 3.278 -3.724 -5.902 1.00 53.43 H new ATOM 0 HB2 PHE A 111 1.727 -5.333 -3.856 1.00 25.53 H new ATOM 0 HB3 PHE A 111 3.453 -5.501 -4.110 1.00 25.53 H new ATOM 0 HD1 PHE A 111 0.796 -3.117 -3.031 1.00 72.50 H new ATOM 0 HD2 PHE A 111 5.011 -3.992 -3.119 1.00 45.44 H new ATOM 0 HE1 PHE A 111 1.225 -1.265 -1.439 1.00 24.22 H new ATOM 0 HE2 PHE A 111 5.411 -2.243 -1.399 1.00 61.40 H new ATOM 0 HZ PHE A 111 3.513 -0.868 -0.565 1.00 72.52 H new ATOM 1715 N VAL A 112 3.505 -5.958 -7.173 1.00 61.20 N ATOM 1716 CA VAL A 112 3.576 -7.157 -8.003 1.00 43.23 C ATOM 1717 C VAL A 112 4.759 -7.969 -7.490 1.00 65.22 C ATOM 1718 O VAL A 112 5.829 -7.395 -7.279 1.00 11.43 O ATOM 1719 CB VAL A 112 3.681 -6.746 -9.485 1.00 22.41 C ATOM 1720 CG1 VAL A 112 3.638 -7.969 -10.409 1.00 10.45 C ATOM 1721 CG2 VAL A 112 2.574 -5.757 -9.895 1.00 63.10 C ATOM 0 H VAL A 112 4.365 -5.410 -7.163 1.00 61.20 H new ATOM 0 HA VAL A 112 2.683 -7.779 -7.940 1.00 43.23 H new ATOM 0 HB VAL A 112 4.644 -6.247 -9.594 1.00 22.41 H new ATOM 0 HG11 VAL A 112 3.714 -7.644 -11.447 1.00 10.45 H new ATOM 0 HG12 VAL A 112 4.471 -8.632 -10.174 1.00 10.45 H new ATOM 0 HG13 VAL A 112 2.698 -8.502 -10.264 1.00 10.45 H new ATOM 0 HG21 VAL A 112 2.690 -5.497 -10.947 1.00 63.10 H new ATOM 0 HG22 VAL A 112 1.599 -6.218 -9.740 1.00 63.10 H new ATOM 0 HG23 VAL A 112 2.649 -4.855 -9.288 1.00 63.10 H new ATOM 1731 N GLN A 113 4.564 -9.263 -7.221 1.00 41.03 N ATOM 1732 CA GLN A 113 5.630 -10.184 -6.854 1.00 23.15 C ATOM 1733 C GLN A 113 5.868 -11.158 -8.001 1.00 33.15 C ATOM 1734 O GLN A 113 4.933 -11.783 -8.510 1.00 51.44 O ATOM 1735 CB GLN A 113 5.306 -10.927 -5.547 1.00 1.31 C ATOM 1736 CG GLN A 113 6.444 -11.905 -5.207 1.00 71.33 C ATOM 1737 CD GLN A 113 6.648 -12.126 -3.715 1.00 52.30 C ATOM 1738 OE1 GLN A 113 5.889 -12.839 -3.079 1.00 23.12 O ATOM 1739 NE2 GLN A 113 7.709 -11.573 -3.152 1.00 62.53 N ATOM 0 H GLN A 113 3.644 -9.702 -7.254 1.00 41.03 H new ATOM 0 HA GLN A 113 6.543 -9.616 -6.674 1.00 23.15 H new ATOM 0 HB2 GLN A 113 5.174 -10.212 -4.735 1.00 1.31 H new ATOM 0 HB3 GLN A 113 4.366 -11.470 -5.650 1.00 1.31 H new ATOM 0 HG2 GLN A 113 6.238 -12.865 -5.681 1.00 71.33 H new ATOM 0 HG3 GLN A 113 7.372 -11.530 -5.638 1.00 71.33 H new ATOM 0 HE21 GLN A 113 8.329 -10.981 -3.704 1.00 62.53 H new ATOM 0 HE22 GLN A 113 7.907 -11.739 -2.165 1.00 62.53 H new ATOM 1748 N ASP A 114 7.132 -11.296 -8.393 1.00 53.44 N ATOM 1749 CA ASP A 114 7.524 -12.279 -9.405 1.00 14.14 C ATOM 1750 C ASP A 114 7.377 -13.725 -8.912 1.00 30.31 C ATOM 1751 O ASP A 114 7.185 -13.999 -7.724 1.00 52.41 O ATOM 1752 CB ASP A 114 8.950 -12.023 -9.912 1.00 71.50 C ATOM 1753 CG ASP A 114 9.073 -12.248 -11.426 1.00 22.55 C ATOM 1754 OD1 ASP A 114 8.245 -12.975 -12.027 1.00 2.24 O ATOM 1755 OD2 ASP A 114 10.021 -11.702 -12.036 1.00 74.32 O ATOM 0 H ASP A 114 7.904 -10.740 -8.026 1.00 53.44 H new ATOM 0 HA ASP A 114 6.833 -12.152 -10.238 1.00 14.14 H new ATOM 0 HB2 ASP A 114 9.241 -11.000 -9.673 1.00 71.50 H new ATOM 0 HB3 ASP A 114 9.644 -12.682 -9.390 1.00 71.50 H new ATOM 1760 N ALA A 115 7.477 -14.670 -9.843 1.00 25.32 N ATOM 1761 CA ALA A 115 7.543 -16.099 -9.583 1.00 1.35 C ATOM 1762 C ALA A 115 8.940 -16.480 -9.124 1.00 1.35 C ATOM 1763 O ALA A 115 9.932 -16.009 -9.697 1.00 53.23 O ATOM 1764 CB ALA A 115 7.280 -16.827 -10.895 1.00 13.03 C ATOM 0 H ALA A 115 7.516 -14.449 -10.838 1.00 25.32 H new ATOM 0 HA ALA A 115 6.814 -16.363 -8.817 1.00 1.35 H new ATOM 0 HB1 ALA A 115 7.324 -17.903 -10.729 1.00 13.03 H new ATOM 0 HB2 ALA A 115 6.292 -16.557 -11.269 1.00 13.03 H new ATOM 0 HB3 ALA A 115 8.036 -16.542 -11.627 1.00 13.03 H new ATOM 1770 N ALA A 116 9.030 -17.410 -8.175 1.00 42.13 N ATOM 1771 CA ALA A 116 10.302 -18.040 -7.879 1.00 54.00 C ATOM 1772 C ALA A 116 10.678 -18.950 -9.038 1.00 42.13 C ATOM 1773 O ALA A 116 9.815 -19.562 -9.673 1.00 11.15 O ATOM 1774 CB ALA A 116 10.197 -18.816 -6.573 1.00 22.33 C ATOM 0 H ALA A 116 8.247 -17.736 -7.609 1.00 42.13 H new ATOM 0 HA ALA A 116 11.082 -17.288 -7.758 1.00 54.00 H new ATOM 0 HB1 ALA A 116 11.154 -19.289 -6.353 1.00 22.33 H new ATOM 0 HB2 ALA A 116 9.935 -18.134 -5.764 1.00 22.33 H new ATOM 0 HB3 ALA A 116 9.427 -19.582 -6.666 1.00 22.33 H new ATOM 1780 N LYS A 117 11.975 -19.028 -9.305 1.00 61.32 N ATOM 1781 CA LYS A 117 12.572 -19.841 -10.349 1.00 11.33 C ATOM 1782 C LYS A 117 13.379 -20.904 -9.637 1.00 61.32 C ATOM 1783 O LYS A 117 14.518 -20.644 -9.245 1.00 42.42 O ATOM 1784 CB LYS A 117 13.419 -18.952 -11.266 1.00 53.41 C ATOM 1785 CG LYS A 117 14.176 -19.757 -12.335 1.00 10.34 C ATOM 1786 CD LYS A 117 14.572 -18.864 -13.515 1.00 73.13 C ATOM 1787 CE LYS A 117 13.410 -18.810 -14.513 1.00 70.33 C ATOM 1788 NZ LYS A 117 13.519 -17.682 -15.456 1.00 52.33 N ATOM 0 H LYS A 117 12.668 -18.501 -8.774 1.00 61.32 H new ATOM 0 HA LYS A 117 11.835 -20.319 -10.995 1.00 11.33 H new ATOM 0 HB2 LYS A 117 12.774 -18.222 -11.755 1.00 53.41 H new ATOM 0 HB3 LYS A 117 14.134 -18.392 -10.664 1.00 53.41 H new ATOM 0 HG2 LYS A 117 15.069 -20.203 -11.896 1.00 10.34 H new ATOM 0 HG3 LYS A 117 13.551 -20.577 -12.688 1.00 10.34 H new ATOM 0 HD2 LYS A 117 14.813 -17.861 -13.163 1.00 73.13 H new ATOM 0 HD3 LYS A 117 15.466 -19.255 -14.000 1.00 73.13 H new ATOM 0 HE2 LYS A 117 13.375 -19.744 -15.074 1.00 70.33 H new ATOM 0 HE3 LYS A 117 12.471 -18.731 -13.966 1.00 70.33 H new ATOM 0 HZ1 LYS A 117 12.708 -17.694 -16.107 1.00 52.33 H new ATOM 0 HZ2 LYS A 117 13.525 -16.787 -14.927 1.00 52.33 H new ATOM 0 HZ3 LYS A 117 14.401 -17.768 -16.000 1.00 52.33 H new ATOM 1802 N GLN A 118 12.752 -22.041 -9.374 1.00 34.33 N ATOM 1803 CA GLN A 118 13.396 -23.199 -8.782 1.00 65.40 C ATOM 1804 C GLN A 118 13.130 -24.380 -9.712 1.00 65.54 C ATOM 1805 O GLN A 118 13.159 -24.162 -10.948 1.00 43.04 O ATOM 1806 CB GLN A 118 12.937 -23.383 -7.315 1.00 23.52 C ATOM 1807 CG GLN A 118 13.000 -22.088 -6.484 1.00 71.32 C ATOM 1808 CD GLN A 118 13.214 -22.308 -4.985 1.00 42.01 C ATOM 1809 OE1 GLN A 118 14.324 -22.115 -4.493 1.00 43.23 O ATOM 1810 NE2 GLN A 118 12.206 -22.665 -4.211 1.00 10.05 N ATOM 0 H GLN A 118 11.762 -22.185 -9.571 1.00 34.33 H new ATOM 0 HA GLN A 118 14.477 -23.087 -8.700 1.00 65.40 H new ATOM 0 HB2 GLN A 118 11.915 -23.761 -7.307 1.00 23.52 H new ATOM 0 HB3 GLN A 118 13.560 -24.141 -6.840 1.00 23.52 H new ATOM 0 HG2 GLN A 118 13.808 -21.465 -6.866 1.00 71.32 H new ATOM 0 HG3 GLN A 118 12.073 -21.533 -6.629 1.00 71.32 H new ATOM 0 HE21 GLN A 118 11.284 -22.826 -4.616 1.00 10.05 H new ATOM 0 HE22 GLN A 118 12.349 -22.780 -3.208 1.00 10.05 H new TER 1819 GLN A 118