USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 73 THR OG1 : rot 147:sc= -0.362 USER MOD Set 1.2: A 200 CHO O7 : rot -125:sc= -4.03! USER MOD Set 1.3: A 201 CHO OT2 : rot 160:sc= -0.783 USER MOD Set 2.1: A 97 TYR OH : rot 15:sc= -0.0116 USER MOD Set 2.2: A 99 HIS : no HD1:sc= -1.68 K(o=-0.99,f=-6.3!) USER MOD Set 2.3: A 112 SER OG : rot -84:sc= 0.705 USER MOD Set 3.1: A 96 ASN : amide:sc= 0.0756 K(o=0.076,f=-3) USER MOD Set 3.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 52 HIS : no HD1:sc= 1.4 K(o=1.8,f=-3.5!) USER MOD Set 4.2: A 58 THR OG1 : rot 119:sc= 0.44 USER MOD Set 5.1: A 3 THR OG1 : rot 156:sc= 0.685 USER MOD Set 5.2: A 42 GLN : amide:sc= 0.983 K(o=1.7,f=-0.46) USER MOD Set 6.1: A 38 THR OG1 : rot 160:sc= 0.31 USER MOD Set 6.2: A 51 GLN : amide:sc= 0.197 K(o=0.51,f=-0.79!) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0238 (180deg=-0.149) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 163:sc= 0.322 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.586 K(o=0.59,f=-2.4!) USER MOD Single : A 14 TYR OH : rot -142:sc= 0.8 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 2.01 (180deg=1.87) USER MOD Single : A 30 MET CE :methyl 134:sc= -0.669 (180deg=-0.952) USER MOD Single : A 33 ASN : amide:sc=-0.00698 X(o=-0.007,f=-0.37) USER MOD Single : A 34 CYS SG : rot 50:sc= -2 USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0245 (180deg=-0.219) USER MOD Single : A 43 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.31) USER MOD Single : A 45 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 29:sc= -2.1! USER MOD Single : A 50 THR OG1 : rot 94:sc= 0.786 USER MOD Single : A 59 THR OG1 : rot -140:sc= 0.039 USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 61 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.347 USER MOD Single : A 64 THR OG1 : rot 26:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= 1.3 (180deg=-0.311) USER MOD Single : A 71 MET CE :methyl -165:sc= -1.88 (180deg=-2.78) USER MOD Single : A 74 MET CE :methyl -125:sc= -0.12 (180deg=-2.01!) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.19) USER MOD Single : A 80 LYS NZ :NH3+ -109:sc= 2.07 (180deg=-1.57) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 178:sc= -1.13 (180deg=-1.18) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 1.06 (180deg=-0.217!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 104 SER OG : rot 49:sc= 0.103 USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.14) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 114 SER OG : rot -122:sc= 1.84 USER MOD Single : A 119 TYR OH : rot 35:sc= 0.738 USER MOD Single : A 120 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.17) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -125:sc= 1.55 (180deg=-0.396) USER MOD Single : A 125 LYS NZ :NH3+ -154:sc= 0.864 (180deg=-0.00415!) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO OT2 : rot 179:sc= 0 USER MOD Single : A 201 CHO O3 : rot 154:sc= 0.635 USER MOD Single : A 201 CHO O7 : rot -45:sc= -2.93! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.014 -7.249 -4.877 1.00 1.11 N ATOM 2 CA ALA A 1 -13.196 -8.435 -4.542 1.00 0.53 C ATOM 3 C ALA A 1 -11.899 -8.024 -3.853 1.00 0.42 C ATOM 4 O ALA A 1 -10.860 -8.655 -4.045 1.00 0.51 O ATOM 5 CB ALA A 1 -12.894 -9.247 -5.791 1.00 1.00 C ATOM 0 H1 ALA A 1 -14.784 -7.528 -5.518 1.00 1.11 H new ATOM 0 H2 ALA A 1 -14.417 -6.848 -4.006 1.00 1.11 H new ATOM 0 H3 ALA A 1 -13.417 -6.536 -5.343 1.00 1.11 H new ATOM 0 HA ALA A 1 -13.769 -9.055 -3.853 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.291 -10.115 -5.524 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.828 -9.579 -6.244 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -12.345 -8.630 -6.502 1.00 1.00 H new ATOM 11 N PHE A 2 -11.966 -6.971 -3.043 1.00 0.35 N ATOM 12 CA PHE A 2 -10.794 -6.481 -2.330 1.00 0.27 C ATOM 13 C PHE A 2 -10.585 -7.277 -1.050 1.00 0.23 C ATOM 14 O PHE A 2 -9.468 -7.370 -0.545 1.00 0.25 O ATOM 15 CB PHE A 2 -10.945 -4.991 -2.002 1.00 0.33 C ATOM 16 CG PHE A 2 -10.696 -4.082 -3.170 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.410 -3.685 -3.487 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.746 -3.630 -3.951 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.172 -2.854 -4.562 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.516 -2.799 -5.028 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.229 -2.412 -5.335 1.00 0.36 C ATOM 0 H PHE A 2 -12.820 -6.442 -2.865 1.00 0.35 H new ATOM 0 HA PHE A 2 -9.923 -6.609 -2.973 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -11.952 -4.813 -1.624 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.253 -4.734 -1.200 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.582 -4.030 -2.886 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -12.756 -3.931 -3.715 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.163 -2.550 -4.799 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.343 -2.452 -5.630 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.047 -1.764 -6.179 1.00 0.36 H new ATOM 31 N THR A 3 -11.667 -7.847 -0.538 1.00 0.20 N ATOM 32 CA THR A 3 -11.622 -8.642 0.679 1.00 0.19 C ATOM 33 C THR A 3 -10.724 -9.863 0.516 1.00 0.19 C ATOM 34 O THR A 3 -10.729 -10.519 -0.528 1.00 0.26 O ATOM 35 CB THR A 3 -13.025 -9.109 1.066 1.00 0.21 C ATOM 36 OG1 THR A 3 -13.970 -8.080 0.748 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.087 -9.429 2.548 1.00 0.26 C ATOM 0 H THR A 3 -12.596 -7.771 -0.953 1.00 0.20 H new ATOM 0 HA THR A 3 -11.213 -8.006 1.464 1.00 0.19 H new ATOM 0 HB THR A 3 -13.267 -10.013 0.508 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.858 -8.477 0.628 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.093 -9.760 2.807 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.374 -10.220 2.780 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.839 -8.537 3.123 1.00 0.26 H new ATOM 45 N GLY A 4 -9.956 -10.165 1.550 1.00 0.19 N ATOM 46 CA GLY A 4 -9.068 -11.300 1.494 1.00 0.21 C ATOM 47 C GLY A 4 -7.692 -10.970 2.005 1.00 0.19 C ATOM 48 O GLY A 4 -7.396 -9.810 2.303 1.00 0.21 O ATOM 0 H GLY A 4 -9.933 -9.643 2.426 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.487 -12.116 2.083 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -8.997 -11.653 0.465 1.00 0.21 H new ATOM 52 N LYS A 5 -6.863 -11.988 2.142 1.00 0.20 N ATOM 53 CA LYS A 5 -5.499 -11.799 2.584 1.00 0.20 C ATOM 54 C LYS A 5 -4.608 -11.766 1.347 1.00 0.18 C ATOM 55 O LYS A 5 -4.855 -12.484 0.373 1.00 0.19 O ATOM 56 CB LYS A 5 -5.080 -12.907 3.566 1.00 0.23 C ATOM 57 CG LYS A 5 -4.048 -13.871 3.010 1.00 0.28 C ATOM 58 CD LYS A 5 -3.994 -15.173 3.792 1.00 0.31 C ATOM 59 CE LYS A 5 -3.832 -14.939 5.285 1.00 0.56 C ATOM 60 NZ LYS A 5 -3.872 -16.215 6.050 1.00 1.54 N ATOM 0 H LYS A 5 -7.115 -12.958 1.952 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.401 -10.859 3.127 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.681 -12.445 4.469 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.966 -13.470 3.861 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.280 -14.086 1.967 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.066 -13.398 3.028 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.907 -15.741 3.612 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.164 -15.779 3.429 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.886 -14.431 5.473 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -4.624 -14.278 5.638 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -3.758 -16.015 7.064 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -4.785 -16.687 5.890 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -3.101 -16.835 5.731 1.00 1.54 H new ATOM 74 N TYR A 6 -3.605 -10.920 1.363 1.00 0.19 N ATOM 75 CA TYR A 6 -2.720 -10.799 0.223 1.00 0.19 C ATOM 76 C TYR A 6 -1.279 -10.975 0.637 1.00 0.19 C ATOM 77 O TYR A 6 -0.863 -10.489 1.686 1.00 0.23 O ATOM 78 CB TYR A 6 -2.906 -9.441 -0.456 1.00 0.22 C ATOM 79 CG TYR A 6 -4.291 -9.231 -1.016 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.626 -9.711 -2.274 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.263 -8.558 -0.289 1.00 1.25 C ATOM 82 CE1 TYR A 6 -5.893 -9.530 -2.790 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.530 -8.371 -0.799 1.00 1.29 C ATOM 84 CZ TYR A 6 -6.839 -8.861 -2.047 1.00 0.35 C ATOM 85 OH TYR A 6 -8.101 -8.687 -2.553 1.00 0.44 O ATOM 0 H TYR A 6 -3.380 -10.307 2.147 1.00 0.19 H new ATOM 0 HA TYR A 6 -2.974 -11.588 -0.485 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.691 -8.652 0.264 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.179 -9.344 -1.262 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -3.884 -10.234 -2.858 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.023 -8.175 0.692 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.141 -9.911 -3.770 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.275 -7.843 -0.223 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.715 -8.450 -1.827 1.00 0.44 H new ATOM 95 N GLU A 7 -0.538 -11.685 -0.188 1.00 0.19 N ATOM 96 CA GLU A 7 0.870 -11.926 0.049 1.00 0.21 C ATOM 97 C GLU A 7 1.664 -11.422 -1.143 1.00 0.19 C ATOM 98 O GLU A 7 1.207 -11.531 -2.285 1.00 0.22 O ATOM 99 CB GLU A 7 1.138 -13.416 0.274 1.00 0.26 C ATOM 100 CG GLU A 7 0.726 -13.917 1.650 1.00 0.33 C ATOM 101 CD GLU A 7 0.666 -15.430 1.722 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.320 -16.101 0.892 1.00 1.41 O ATOM 103 OE2 GLU A 7 -0.033 -15.959 2.610 1.00 1.20 O ATOM 0 H GLU A 7 -0.895 -12.112 -1.043 1.00 0.19 H new ATOM 0 HA GLU A 7 1.178 -11.393 0.949 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.605 -13.989 -0.485 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.201 -13.609 0.131 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.432 -13.549 2.394 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.250 -13.505 1.906 1.00 0.33 H new ATOM 110 N PHE A 8 2.834 -10.859 -0.868 1.00 0.23 N ATOM 111 CA PHE A 8 3.707 -10.328 -1.908 1.00 0.25 C ATOM 112 C PHE A 8 3.890 -11.339 -3.040 1.00 0.24 C ATOM 113 O PHE A 8 4.180 -12.515 -2.802 1.00 0.33 O ATOM 114 CB PHE A 8 5.066 -9.959 -1.311 1.00 0.33 C ATOM 115 CG PHE A 8 5.692 -8.749 -1.937 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.089 -8.768 -3.264 1.00 1.32 C ATOM 117 CD2 PHE A 8 5.888 -7.594 -1.200 1.00 1.55 C ATOM 118 CE1 PHE A 8 6.669 -7.660 -3.845 1.00 1.57 C ATOM 119 CE2 PHE A 8 6.468 -6.478 -1.773 1.00 1.86 C ATOM 120 CZ PHE A 8 6.859 -6.510 -3.099 1.00 1.49 C ATOM 0 H PHE A 8 3.203 -10.758 0.077 1.00 0.23 H new ATOM 0 HA PHE A 8 3.240 -9.434 -2.322 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.947 -9.783 -0.242 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.743 -10.806 -1.422 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.942 -9.662 -3.851 1.00 1.32 H new ATOM 0 HD2 PHE A 8 5.584 -7.564 -0.164 1.00 1.55 H new ATOM 0 HE1 PHE A 8 6.974 -7.690 -4.880 1.00 1.57 H new ATOM 0 HE2 PHE A 8 6.615 -5.583 -1.187 1.00 1.86 H new ATOM 0 HZ PHE A 8 7.311 -5.640 -3.551 1.00 1.49 H new ATOM 130 N GLU A 9 3.690 -10.880 -4.264 1.00 0.25 N ATOM 131 CA GLU A 9 3.834 -11.733 -5.429 1.00 0.26 C ATOM 132 C GLU A 9 4.847 -11.144 -6.400 1.00 0.28 C ATOM 133 O GLU A 9 5.822 -11.795 -6.775 1.00 0.34 O ATOM 134 CB GLU A 9 2.489 -11.909 -6.140 1.00 0.27 C ATOM 135 CG GLU A 9 2.541 -12.900 -7.290 1.00 0.35 C ATOM 136 CD GLU A 9 2.164 -14.305 -6.864 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.859 -14.875 -5.997 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.171 -14.843 -7.395 1.00 1.19 O ATOM 0 H GLU A 9 3.427 -9.918 -4.476 1.00 0.25 H new ATOM 0 HA GLU A 9 4.187 -12.707 -5.090 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.745 -12.242 -5.417 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.157 -10.942 -6.518 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.866 -12.570 -8.080 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.546 -12.909 -7.712 1.00 0.35 H new ATOM 145 N SER A 10 4.620 -9.906 -6.802 1.00 0.26 N ATOM 146 CA SER A 10 5.500 -9.238 -7.741 1.00 0.29 C ATOM 147 C SER A 10 5.532 -7.739 -7.476 1.00 0.27 C ATOM 148 O SER A 10 4.679 -7.214 -6.764 1.00 0.32 O ATOM 149 CB SER A 10 5.028 -9.515 -9.171 1.00 0.34 C ATOM 150 OG SER A 10 5.262 -10.865 -9.534 1.00 1.01 O ATOM 0 H SER A 10 3.830 -9.342 -6.490 1.00 0.26 H new ATOM 0 HA SER A 10 6.511 -9.626 -7.614 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.964 -9.292 -9.256 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.549 -8.854 -9.864 1.00 0.34 H new ATOM 0 HG SER A 10 4.950 -11.016 -10.451 1.00 1.01 H new ATOM 156 N ASP A 11 6.515 -7.061 -8.049 1.00 0.28 N ATOM 157 CA ASP A 11 6.665 -5.626 -7.885 1.00 0.28 C ATOM 158 C ASP A 11 7.334 -5.042 -9.119 1.00 0.28 C ATOM 159 O ASP A 11 7.982 -5.759 -9.886 1.00 0.34 O ATOM 160 CB ASP A 11 7.493 -5.296 -6.635 1.00 0.32 C ATOM 161 CG ASP A 11 8.968 -5.607 -6.807 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.365 -6.773 -6.592 1.00 1.72 O ATOM 163 OD2 ASP A 11 9.732 -4.688 -7.163 1.00 1.71 O ATOM 0 H ASP A 11 7.228 -7.490 -8.639 1.00 0.28 H new ATOM 0 HA ASP A 11 5.675 -5.186 -7.760 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.375 -4.239 -6.395 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.104 -5.861 -5.788 1.00 0.32 H new ATOM 168 N GLU A 12 7.161 -3.749 -9.312 1.00 0.26 N ATOM 169 CA GLU A 12 7.738 -3.058 -10.446 1.00 0.27 C ATOM 170 C GLU A 12 8.128 -1.642 -10.050 1.00 0.25 C ATOM 171 O GLU A 12 7.394 -0.961 -9.331 1.00 0.26 O ATOM 172 CB GLU A 12 6.751 -3.047 -11.617 1.00 0.32 C ATOM 173 CG GLU A 12 7.028 -1.987 -12.670 1.00 0.38 C ATOM 174 CD GLU A 12 6.466 -2.360 -14.025 1.00 0.57 C ATOM 175 OE1 GLU A 12 7.126 -3.125 -14.753 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.361 -1.891 -14.371 1.00 1.44 O ATOM 0 H GLU A 12 6.618 -3.151 -8.689 1.00 0.26 H new ATOM 0 HA GLU A 12 8.637 -3.585 -10.765 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.764 -4.027 -12.095 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.745 -2.897 -11.225 1.00 0.32 H new ATOM 0 HG2 GLU A 12 6.597 -1.039 -12.349 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.104 -1.835 -12.755 1.00 0.38 H new ATOM 183 N ASN A 13 9.291 -1.227 -10.534 1.00 0.25 N ATOM 184 CA ASN A 13 9.851 0.099 -10.258 1.00 0.25 C ATOM 185 C ASN A 13 10.043 0.327 -8.761 1.00 0.23 C ATOM 186 O ASN A 13 9.774 1.413 -8.252 1.00 0.30 O ATOM 187 CB ASN A 13 8.950 1.201 -10.826 1.00 0.29 C ATOM 188 CG ASN A 13 9.375 1.663 -12.205 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.478 1.364 -12.665 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.503 2.400 -12.874 1.00 0.84 N ATOM 0 H ASN A 13 9.881 -1.802 -11.135 1.00 0.25 H new ATOM 0 HA ASN A 13 10.825 0.141 -10.745 1.00 0.25 H new ATOM 0 HB2 ASN A 13 7.924 0.836 -10.872 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.955 2.053 -10.146 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.734 2.743 -13.807 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.600 2.625 -12.457 1.00 0.84 H new ATOM 197 N TYR A 14 10.522 -0.693 -8.057 1.00 0.23 N ATOM 198 CA TYR A 14 10.731 -0.581 -6.618 1.00 0.25 C ATOM 199 C TYR A 14 11.919 0.325 -6.298 1.00 0.23 C ATOM 200 O TYR A 14 11.768 1.323 -5.591 1.00 0.22 O ATOM 201 CB TYR A 14 10.944 -1.960 -5.978 1.00 0.32 C ATOM 202 CG TYR A 14 10.518 -2.018 -4.523 1.00 0.44 C ATOM 203 CD1 TYR A 14 10.975 -1.077 -3.612 1.00 1.30 C ATOM 204 CD2 TYR A 14 9.639 -2.997 -4.069 1.00 1.28 C ATOM 205 CE1 TYR A 14 10.573 -1.107 -2.290 1.00 1.36 C ATOM 206 CE2 TYR A 14 9.227 -3.025 -2.747 1.00 1.39 C ATOM 207 CZ TYR A 14 9.699 -2.079 -1.863 1.00 0.78 C ATOM 208 OH TYR A 14 9.276 -2.082 -0.555 1.00 0.98 O ATOM 0 H TYR A 14 10.771 -1.599 -8.455 1.00 0.23 H new ATOM 0 HA TYR A 14 9.829 -0.135 -6.198 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.385 -2.706 -6.543 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.998 -2.228 -6.052 1.00 0.32 H new ATOM 0 HD1 TYR A 14 11.657 -0.307 -3.942 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.273 -3.745 -4.757 1.00 1.28 H new ATOM 0 HE1 TYR A 14 10.944 -0.369 -1.594 1.00 1.36 H new ATOM 0 HE2 TYR A 14 8.538 -3.786 -2.410 1.00 1.39 H new ATOM 0 HH TYR A 14 9.207 -3.006 -0.236 1.00 0.98 H new ATOM 218 N ASP A 15 13.091 -0.024 -6.820 1.00 0.25 N ATOM 219 CA ASP A 15 14.312 0.745 -6.569 1.00 0.26 C ATOM 220 C ASP A 15 14.190 2.177 -7.073 1.00 0.25 C ATOM 221 O ASP A 15 14.680 3.109 -6.441 1.00 0.26 O ATOM 222 CB ASP A 15 15.518 0.086 -7.233 1.00 0.33 C ATOM 223 CG ASP A 15 15.760 -1.329 -6.747 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.115 -2.261 -7.267 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.593 -1.518 -5.836 1.00 1.30 O ATOM 0 H ASP A 15 13.224 -0.837 -7.422 1.00 0.25 H new ATOM 0 HA ASP A 15 14.454 0.764 -5.489 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.370 0.073 -8.313 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.406 0.688 -7.040 1.00 0.33 H new ATOM 230 N ASP A 16 13.545 2.349 -8.213 1.00 0.25 N ATOM 231 CA ASP A 16 13.368 3.677 -8.785 1.00 0.26 C ATOM 232 C ASP A 16 12.489 4.526 -7.883 1.00 0.25 C ATOM 233 O ASP A 16 12.752 5.709 -7.661 1.00 0.29 O ATOM 234 CB ASP A 16 12.743 3.584 -10.174 1.00 0.29 C ATOM 235 CG ASP A 16 13.611 4.229 -11.234 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.032 5.388 -11.040 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.888 3.575 -12.262 1.00 1.20 O ATOM 0 H ASP A 16 13.136 1.592 -8.761 1.00 0.25 H new ATOM 0 HA ASP A 16 14.349 4.145 -8.871 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.580 2.537 -10.428 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.765 4.066 -10.164 1.00 0.29 H new ATOM 242 N PHE A 17 11.454 3.899 -7.352 1.00 0.21 N ATOM 243 CA PHE A 17 10.514 4.560 -6.464 1.00 0.21 C ATOM 244 C PHE A 17 11.203 4.992 -5.179 1.00 0.20 C ATOM 245 O PHE A 17 11.128 6.155 -4.777 1.00 0.23 O ATOM 246 CB PHE A 17 9.371 3.600 -6.136 1.00 0.21 C ATOM 247 CG PHE A 17 8.297 4.176 -5.263 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.458 5.172 -5.734 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.116 3.709 -3.971 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.462 5.693 -4.931 1.00 1.19 C ATOM 251 CE2 PHE A 17 7.122 4.224 -3.167 1.00 1.24 C ATOM 252 CZ PHE A 17 6.295 5.215 -3.646 1.00 0.38 C ATOM 0 H PHE A 17 11.241 2.916 -7.525 1.00 0.21 H new ATOM 0 HA PHE A 17 10.123 5.447 -6.962 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.919 3.263 -7.069 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.785 2.719 -5.646 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.584 5.545 -6.740 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.762 2.932 -3.589 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.816 6.472 -5.307 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.992 3.850 -2.162 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.516 5.619 -3.017 1.00 0.38 H new ATOM 262 N VAL A 18 11.897 4.052 -4.553 1.00 0.19 N ATOM 263 CA VAL A 18 12.586 4.316 -3.303 1.00 0.21 C ATOM 264 C VAL A 18 13.705 5.339 -3.478 1.00 0.23 C ATOM 265 O VAL A 18 13.921 6.178 -2.602 1.00 0.26 O ATOM 266 CB VAL A 18 13.140 3.030 -2.664 1.00 0.23 C ATOM 267 CG1 VAL A 18 12.000 2.107 -2.276 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.104 2.321 -3.596 1.00 0.23 C ATOM 0 H VAL A 18 11.996 3.096 -4.894 1.00 0.19 H new ATOM 0 HA VAL A 18 11.840 4.735 -2.627 1.00 0.21 H new ATOM 0 HB VAL A 18 13.692 3.309 -1.766 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.403 1.200 -1.825 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.351 2.611 -1.560 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.425 1.845 -3.164 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.477 1.417 -3.115 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.588 2.055 -4.519 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.940 2.981 -3.825 1.00 0.23 H new ATOM 278 N LYS A 19 14.414 5.278 -4.601 1.00 0.24 N ATOM 279 CA LYS A 19 15.483 6.232 -4.857 1.00 0.29 C ATOM 280 C LYS A 19 14.908 7.633 -5.047 1.00 0.30 C ATOM 281 O LYS A 19 15.532 8.630 -4.677 1.00 0.34 O ATOM 282 CB LYS A 19 16.296 5.825 -6.089 1.00 0.33 C ATOM 283 CG LYS A 19 17.438 4.858 -5.790 1.00 0.41 C ATOM 284 CD LYS A 19 18.697 5.583 -5.324 1.00 0.54 C ATOM 285 CE LYS A 19 18.743 5.733 -3.807 1.00 0.87 C ATOM 286 NZ LYS A 19 20.055 6.252 -3.337 1.00 1.18 N ATOM 0 H LYS A 19 14.270 4.588 -5.338 1.00 0.24 H new ATOM 0 HA LYS A 19 16.148 6.236 -3.994 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.627 5.366 -6.817 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.706 6.722 -6.553 1.00 0.33 H new ATOM 0 HG2 LYS A 19 17.122 4.151 -5.023 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.664 4.278 -6.684 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.577 5.034 -5.661 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.740 6.569 -5.787 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.950 6.408 -3.485 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.548 4.767 -3.341 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.043 6.339 -2.301 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.810 5.595 -3.621 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.231 7.185 -3.760 1.00 1.18 H new ATOM 300 N LYS A 20 13.704 7.696 -5.605 1.00 0.29 N ATOM 301 CA LYS A 20 13.031 8.964 -5.847 1.00 0.32 C ATOM 302 C LYS A 20 12.518 9.574 -4.560 1.00 0.31 C ATOM 303 O LYS A 20 12.806 10.729 -4.248 1.00 0.36 O ATOM 304 CB LYS A 20 11.864 8.768 -6.797 1.00 0.35 C ATOM 305 CG LYS A 20 12.016 9.545 -8.075 1.00 0.58 C ATOM 306 CD LYS A 20 11.830 11.038 -7.860 1.00 0.73 C ATOM 307 CE LYS A 20 11.510 11.749 -9.166 1.00 0.71 C ATOM 308 NZ LYS A 20 12.653 11.750 -10.117 1.00 0.88 N ATOM 0 H LYS A 20 13.172 6.877 -5.899 1.00 0.29 H new ATOM 0 HA LYS A 20 13.762 9.641 -6.289 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.766 7.708 -7.031 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.942 9.071 -6.300 1.00 0.35 H new ATOM 0 HG2 LYS A 20 13.004 9.360 -8.496 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.287 9.190 -8.804 1.00 0.58 H new ATOM 0 HD2 LYS A 20 11.025 11.207 -7.145 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.736 11.461 -7.426 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.653 11.267 -9.636 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.220 12.778 -8.953 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.379 12.247 -10.988 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.465 12.234 -9.683 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.915 10.770 -10.345 1.00 0.88 H new ATOM 322 N ILE A 21 11.743 8.795 -3.820 1.00 0.28 N ATOM 323 CA ILE A 21 11.184 9.263 -2.554 1.00 0.30 C ATOM 324 C ILE A 21 12.276 9.442 -1.499 1.00 0.32 C ATOM 325 O ILE A 21 12.009 9.904 -0.388 1.00 0.39 O ATOM 326 CB ILE A 21 10.099 8.308 -2.015 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.686 6.921 -1.752 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.937 8.220 -2.999 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.869 6.084 -0.793 1.00 0.30 C ATOM 0 H ILE A 21 11.486 7.840 -4.070 1.00 0.28 H new ATOM 0 HA ILE A 21 10.722 10.229 -2.757 1.00 0.30 H new ATOM 0 HB ILE A 21 9.726 8.705 -1.071 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.775 6.389 -2.699 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.694 7.033 -1.354 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.178 7.543 -2.607 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.503 9.210 -3.139 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.298 7.844 -3.956 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.349 5.115 -0.657 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.801 6.594 0.168 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.868 5.939 -1.198 1.00 0.30 H new ATOM 341 N GLY A 22 13.503 9.081 -1.858 1.00 0.31 N ATOM 342 CA GLY A 22 14.627 9.223 -0.949 1.00 0.36 C ATOM 343 C GLY A 22 14.540 8.312 0.256 1.00 0.34 C ATOM 344 O GLY A 22 14.894 8.708 1.373 1.00 0.39 O ATOM 0 H GLY A 22 13.741 8.690 -2.769 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.551 9.013 -1.489 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.683 10.258 -0.611 1.00 0.36 H new ATOM 348 N LEU A 23 14.078 7.091 0.036 1.00 0.28 N ATOM 349 CA LEU A 23 13.957 6.111 1.104 1.00 0.27 C ATOM 350 C LEU A 23 15.339 5.592 1.501 1.00 0.28 C ATOM 351 O LEU A 23 16.171 5.319 0.637 1.00 0.28 O ATOM 352 CB LEU A 23 13.083 4.939 0.642 1.00 0.24 C ATOM 353 CG LEU A 23 12.550 4.024 1.749 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.528 4.750 2.602 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.925 2.773 1.154 1.00 0.25 C ATOM 0 H LEU A 23 13.779 6.754 -0.879 1.00 0.28 H new ATOM 0 HA LEU A 23 13.493 6.589 1.967 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.234 5.340 0.089 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.661 4.333 -0.056 1.00 0.24 H new ATOM 0 HG LEU A 23 13.392 3.735 2.379 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.163 4.081 3.381 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.992 5.623 3.061 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.693 5.069 1.978 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.552 2.136 1.956 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.099 3.054 0.501 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.675 2.230 0.578 1.00 0.25 H new ATOM 367 N PRO A 24 15.622 5.497 2.810 1.00 0.30 N ATOM 368 CA PRO A 24 16.905 4.983 3.297 1.00 0.32 C ATOM 369 C PRO A 24 17.072 3.501 2.970 1.00 0.30 C ATOM 370 O PRO A 24 16.113 2.731 3.057 1.00 0.28 O ATOM 371 CB PRO A 24 16.823 5.183 4.812 1.00 0.37 C ATOM 372 CG PRO A 24 15.373 5.283 5.118 1.00 0.36 C ATOM 373 CD PRO A 24 14.733 5.903 3.911 1.00 0.33 C ATOM 0 HA PRO A 24 17.754 5.490 2.838 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.280 4.349 5.344 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.353 6.085 5.119 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.949 4.300 5.322 1.00 0.36 H new ATOM 0 HG3 PRO A 24 15.203 5.893 6.005 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.717 5.538 3.763 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.673 6.988 4.000 1.00 0.33 H new ATOM 381 N ALA A 25 18.296 3.113 2.616 1.00 0.32 N ATOM 382 CA ALA A 25 18.610 1.726 2.264 1.00 0.34 C ATOM 383 C ALA A 25 18.168 0.756 3.351 1.00 0.35 C ATOM 384 O ALA A 25 17.689 -0.343 3.061 1.00 0.36 O ATOM 385 CB ALA A 25 20.100 1.576 2.013 1.00 0.39 C ATOM 0 H ALA A 25 19.095 3.745 2.565 1.00 0.32 H new ATOM 0 HA ALA A 25 18.061 1.483 1.355 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.323 0.541 1.752 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.398 2.229 1.193 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.650 1.850 2.913 1.00 0.39 H new ATOM 391 N ASP A 26 18.326 1.186 4.599 1.00 0.37 N ATOM 392 CA ASP A 26 17.947 0.389 5.754 1.00 0.40 C ATOM 393 C ASP A 26 16.489 -0.047 5.664 1.00 0.38 C ATOM 394 O ASP A 26 16.154 -1.184 5.981 1.00 0.42 O ATOM 395 CB ASP A 26 18.178 1.191 7.040 1.00 0.46 C ATOM 396 CG ASP A 26 17.436 0.621 8.236 1.00 1.27 C ATOM 397 OD1 ASP A 26 17.877 -0.407 8.785 1.00 2.03 O ATOM 398 OD2 ASP A 26 16.417 1.216 8.646 1.00 2.03 O ATOM 0 H ASP A 26 18.720 2.097 4.835 1.00 0.37 H new ATOM 0 HA ASP A 26 18.568 -0.506 5.771 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.245 1.216 7.260 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.862 2.222 6.881 1.00 0.46 H new ATOM 403 N LYS A 27 15.626 0.854 5.207 1.00 0.35 N ATOM 404 CA LYS A 27 14.207 0.549 5.095 1.00 0.36 C ATOM 405 C LYS A 27 13.889 -0.072 3.741 1.00 0.32 C ATOM 406 O LYS A 27 12.998 -0.910 3.631 1.00 0.33 O ATOM 407 CB LYS A 27 13.359 1.806 5.316 1.00 0.39 C ATOM 408 CG LYS A 27 13.566 2.452 6.680 1.00 0.41 C ATOM 409 CD LYS A 27 13.287 1.471 7.814 1.00 0.48 C ATOM 410 CE LYS A 27 13.539 2.095 9.180 1.00 0.72 C ATOM 411 NZ LYS A 27 14.068 1.103 10.158 1.00 0.94 N ATOM 0 H LYS A 27 15.883 1.795 4.910 1.00 0.35 H new ATOM 0 HA LYS A 27 13.960 -0.175 5.872 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.595 2.534 4.540 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.306 1.548 5.202 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.590 2.818 6.758 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.910 3.317 6.777 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.253 1.133 7.755 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.918 0.590 7.695 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.248 2.917 9.078 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.611 2.520 9.561 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 14.003 1.495 11.119 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 13.509 0.228 10.102 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 15.062 0.893 9.936 1.00 0.94 H new ATOM 425 N ILE A 28 14.631 0.341 2.720 1.00 0.30 N ATOM 426 CA ILE A 28 14.429 -0.158 1.363 1.00 0.29 C ATOM 427 C ILE A 28 14.558 -1.681 1.304 1.00 0.34 C ATOM 428 O ILE A 28 13.609 -2.385 0.956 1.00 0.37 O ATOM 429 CB ILE A 28 15.453 0.446 0.375 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.201 1.936 0.154 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.419 -0.295 -0.955 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.260 2.609 -0.693 1.00 0.26 C ATOM 0 H ILE A 28 15.383 1.025 2.807 1.00 0.30 H new ATOM 0 HA ILE A 28 13.421 0.142 1.076 1.00 0.29 H new ATOM 0 HB ILE A 28 16.443 0.331 0.816 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.229 2.065 -0.323 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.150 2.435 1.122 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.147 0.146 -1.636 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.663 -1.345 -0.793 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.422 -0.217 -1.390 1.00 0.35 H new ATOM 0 HD11 ILE A 28 16.017 3.665 -0.808 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.231 2.511 -0.207 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.296 2.136 -1.674 1.00 0.26 H new ATOM 444 N GLU A 29 15.740 -2.177 1.660 1.00 0.37 N ATOM 445 CA GLU A 29 16.021 -3.607 1.624 1.00 0.44 C ATOM 446 C GLU A 29 15.200 -4.354 2.667 1.00 0.43 C ATOM 447 O GLU A 29 14.862 -5.525 2.490 1.00 0.47 O ATOM 448 CB GLU A 29 17.514 -3.859 1.843 1.00 0.52 C ATOM 449 CG GLU A 29 18.402 -3.121 0.855 1.00 0.55 C ATOM 450 CD GLU A 29 18.230 -3.614 -0.567 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.893 -4.606 -0.940 1.00 1.73 O ATOM 452 OE2 GLU A 29 17.439 -3.007 -1.319 1.00 1.41 O ATOM 0 H GLU A 29 16.522 -1.605 1.978 1.00 0.37 H new ATOM 0 HA GLU A 29 15.739 -3.983 0.640 1.00 0.44 H new ATOM 0 HB2 GLU A 29 17.781 -3.557 2.856 1.00 0.52 H new ATOM 0 HB3 GLU A 29 17.709 -4.929 1.767 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.176 -2.055 0.896 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.444 -3.238 1.152 1.00 0.55 H new ATOM 459 N MET A 30 14.888 -3.669 3.750 1.00 0.41 N ATOM 460 CA MET A 30 14.101 -4.243 4.822 1.00 0.43 C ATOM 461 C MET A 30 12.672 -4.499 4.356 1.00 0.40 C ATOM 462 O MET A 30 12.090 -5.536 4.661 1.00 0.41 O ATOM 463 CB MET A 30 14.112 -3.294 6.026 1.00 0.45 C ATOM 464 CG MET A 30 13.427 -3.835 7.268 1.00 0.46 C ATOM 465 SD MET A 30 14.313 -5.204 8.031 1.00 0.63 S ATOM 466 CE MET A 30 13.184 -6.542 7.667 1.00 0.97 C ATOM 0 H MET A 30 15.172 -2.703 3.911 1.00 0.41 H new ATOM 0 HA MET A 30 14.537 -5.198 5.115 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.146 -3.055 6.273 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.629 -2.360 5.739 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.320 -3.030 7.995 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.421 -4.163 7.006 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.744 -7.398 7.289 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.654 -6.828 8.575 1.00 0.97 H new ATOM 0 HE3 MET A 30 12.465 -6.217 6.914 1.00 0.97 H new ATOM 476 N GLY A 31 12.125 -3.565 3.586 1.00 0.39 N ATOM 477 CA GLY A 31 10.767 -3.705 3.106 1.00 0.39 C ATOM 478 C GLY A 31 10.687 -4.258 1.701 1.00 0.43 C ATOM 479 O GLY A 31 9.695 -4.054 1.008 1.00 0.51 O ATOM 0 H GLY A 31 12.600 -2.713 3.287 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.216 -4.361 3.780 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.276 -2.732 3.135 1.00 0.39 H new ATOM 483 N ARG A 32 11.699 -4.996 1.282 1.00 0.43 N ATOM 484 CA ARG A 32 11.711 -5.550 -0.062 1.00 0.50 C ATOM 485 C ARG A 32 11.904 -7.057 -0.017 1.00 0.44 C ATOM 486 O ARG A 32 12.587 -7.580 0.868 1.00 0.49 O ATOM 487 CB ARG A 32 12.802 -4.894 -0.918 1.00 0.60 C ATOM 488 CG ARG A 32 14.155 -5.593 -0.847 1.00 0.78 C ATOM 489 CD ARG A 32 15.175 -4.940 -1.762 1.00 0.71 C ATOM 490 NE ARG A 32 14.759 -4.946 -3.160 1.00 1.31 N ATOM 491 CZ ARG A 32 15.181 -4.056 -4.058 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.045 -3.112 -3.702 1.00 1.65 N ATOM 493 NH2 ARG A 32 14.741 -4.117 -5.309 1.00 2.27 N ATOM 0 H ARG A 32 12.517 -5.225 1.846 1.00 0.43 H new ATOM 0 HA ARG A 32 10.746 -5.338 -0.523 1.00 0.50 H new ATOM 0 HB2 ARG A 32 12.470 -4.873 -1.956 1.00 0.60 H new ATOM 0 HB3 ARG A 32 12.923 -3.858 -0.601 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.521 -5.572 0.179 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.038 -6.641 -1.123 1.00 0.78 H new ATOM 0 HD2 ARG A 32 15.341 -3.912 -1.440 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.128 -5.461 -1.668 1.00 0.71 H new ATOM 0 HE ARG A 32 14.110 -5.671 -3.467 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.385 -3.068 -2.742 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.368 -2.431 -4.389 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.080 -4.845 -5.582 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.063 -3.436 -5.997 1.00 2.27 H new ATOM 507 N ASN A 33 11.268 -7.748 -0.965 1.00 0.53 N ATOM 508 CA ASN A 33 11.357 -9.207 -1.078 1.00 0.67 C ATOM 509 C ASN A 33 10.893 -9.886 0.205 1.00 0.59 C ATOM 510 O ASN A 33 11.316 -10.999 0.523 1.00 0.69 O ATOM 511 CB ASN A 33 12.793 -9.640 -1.411 1.00 0.80 C ATOM 512 CG ASN A 33 13.341 -8.966 -2.653 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.600 -8.635 -3.575 1.00 1.72 O ATOM 514 ND2 ASN A 33 14.647 -8.756 -2.682 1.00 1.78 N ATOM 0 H ASN A 33 10.678 -7.314 -1.675 1.00 0.53 H new ATOM 0 HA ASN A 33 10.699 -9.517 -1.890 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.441 -9.412 -0.565 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.818 -10.721 -1.550 1.00 0.80 H new ATOM 0 HD21 ASN A 33 15.073 -8.304 -3.491 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.228 -9.046 -1.895 1.00 1.78 H new ATOM 521 N CYS A 34 10.019 -9.215 0.934 1.00 0.47 N ATOM 522 CA CYS A 34 9.504 -9.740 2.185 1.00 0.41 C ATOM 523 C CYS A 34 8.055 -10.195 2.021 1.00 0.41 C ATOM 524 O CYS A 34 7.346 -9.721 1.132 1.00 0.48 O ATOM 525 CB CYS A 34 9.620 -8.674 3.273 1.00 0.38 C ATOM 526 SG CYS A 34 9.231 -7.012 2.703 1.00 1.16 S ATOM 0 H CYS A 34 9.649 -8.299 0.678 1.00 0.47 H new ATOM 0 HA CYS A 34 10.094 -10.608 2.478 1.00 0.41 H new ATOM 0 HB2 CYS A 34 8.952 -8.932 4.095 1.00 0.38 H new ATOM 0 HB3 CYS A 34 10.634 -8.684 3.672 1.00 0.38 H new ATOM 0 HG CYS A 34 8.097 -7.025 2.068 1.00 1.16 H new ATOM 532 N LYS A 35 7.615 -11.105 2.881 1.00 0.39 N ATOM 533 CA LYS A 35 6.256 -11.626 2.807 1.00 0.42 C ATOM 534 C LYS A 35 5.267 -10.716 3.538 1.00 0.38 C ATOM 535 O LYS A 35 4.958 -10.916 4.711 1.00 0.40 O ATOM 536 CB LYS A 35 6.185 -13.058 3.360 1.00 0.47 C ATOM 537 CG LYS A 35 6.798 -13.227 4.744 1.00 0.48 C ATOM 538 CD LYS A 35 8.209 -13.795 4.681 1.00 1.13 C ATOM 539 CE LYS A 35 8.210 -15.275 4.319 1.00 1.64 C ATOM 540 NZ LYS A 35 7.616 -16.116 5.392 1.00 2.49 N ATOM 0 H LYS A 35 8.178 -11.497 3.636 1.00 0.39 H new ATOM 0 HA LYS A 35 5.972 -11.650 1.755 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.141 -13.369 3.398 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.693 -13.728 2.666 1.00 0.47 H new ATOM 0 HG2 LYS A 35 6.819 -12.262 5.251 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.168 -13.887 5.341 1.00 0.48 H new ATOM 0 HD2 LYS A 35 8.791 -13.241 3.945 1.00 1.13 H new ATOM 0 HD3 LYS A 35 8.699 -13.657 5.645 1.00 1.13 H new ATOM 0 HE2 LYS A 35 7.652 -15.421 3.394 1.00 1.64 H new ATOM 0 HE3 LYS A 35 9.233 -15.600 4.129 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 7.875 -17.111 5.237 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.976 -15.805 6.317 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 6.580 -16.021 5.374 1.00 2.49 H new ATOM 554 N ILE A 36 4.800 -9.697 2.836 1.00 0.36 N ATOM 555 CA ILE A 36 3.829 -8.767 3.396 1.00 0.34 C ATOM 556 C ILE A 36 2.427 -9.346 3.287 1.00 0.33 C ATOM 557 O ILE A 36 1.971 -9.676 2.193 1.00 0.41 O ATOM 558 CB ILE A 36 3.841 -7.407 2.665 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.259 -6.843 2.583 1.00 0.65 C ATOM 560 CG2 ILE A 36 2.910 -6.420 3.364 1.00 0.32 C ATOM 561 CD1 ILE A 36 5.889 -6.587 3.927 1.00 0.66 C ATOM 0 H ILE A 36 5.077 -9.491 1.876 1.00 0.36 H new ATOM 0 HA ILE A 36 4.107 -8.612 4.439 1.00 0.34 H new ATOM 0 HB ILE A 36 3.482 -7.563 1.648 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.885 -7.539 2.025 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.237 -5.911 2.019 1.00 0.65 H new ATOM 0 HG21 ILE A 36 2.929 -5.466 2.837 1.00 0.32 H new ATOM 0 HG22 ILE A 36 1.894 -6.815 3.363 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.241 -6.273 4.392 1.00 0.32 H new ATOM 0 HD11 ILE A 36 6.894 -6.188 3.788 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.286 -5.867 4.480 1.00 0.66 H new ATOM 0 HD13 ILE A 36 5.944 -7.521 4.487 1.00 0.66 H new ATOM 573 N VAL A 37 1.751 -9.474 4.416 1.00 0.29 N ATOM 574 CA VAL A 37 0.396 -10.007 4.423 1.00 0.29 C ATOM 575 C VAL A 37 -0.603 -8.880 4.610 1.00 0.30 C ATOM 576 O VAL A 37 -0.507 -8.105 5.555 1.00 0.37 O ATOM 577 CB VAL A 37 0.178 -11.062 5.527 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.046 -11.915 5.215 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.415 -11.932 5.693 1.00 0.32 C ATOM 0 H VAL A 37 2.113 -9.219 5.335 1.00 0.29 H new ATOM 0 HA VAL A 37 0.245 -10.497 3.461 1.00 0.29 H new ATOM 0 HB VAL A 37 0.002 -10.542 6.469 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.185 -12.654 6.004 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.928 -11.278 5.155 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.901 -12.424 4.262 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.239 -12.669 6.477 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.628 -12.444 4.755 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.265 -11.307 5.967 1.00 0.32 H new ATOM 589 N THR A 38 -1.545 -8.781 3.696 1.00 0.25 N ATOM 590 CA THR A 38 -2.564 -7.746 3.761 1.00 0.26 C ATOM 591 C THR A 38 -3.950 -8.349 3.962 1.00 0.24 C ATOM 592 O THR A 38 -4.481 -9.002 3.071 1.00 0.23 O ATOM 593 CB THR A 38 -2.554 -6.880 2.486 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.211 -6.461 2.206 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.457 -5.663 2.642 1.00 0.30 C ATOM 0 H THR A 38 -1.629 -9.406 2.894 1.00 0.25 H new ATOM 0 HA THR A 38 -2.331 -7.114 4.618 1.00 0.26 H new ATOM 0 HB THR A 38 -2.934 -7.477 1.657 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.140 -6.198 1.265 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.430 -5.070 1.727 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.479 -5.990 2.833 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.109 -5.056 3.478 1.00 0.30 H new ATOM 603 N GLU A 39 -4.520 -8.148 5.140 1.00 0.25 N ATOM 604 CA GLU A 39 -5.847 -8.670 5.439 1.00 0.25 C ATOM 605 C GLU A 39 -6.894 -7.574 5.276 1.00 0.24 C ATOM 606 O GLU A 39 -6.941 -6.618 6.058 1.00 0.28 O ATOM 607 CB GLU A 39 -5.890 -9.253 6.850 1.00 0.28 C ATOM 608 CG GLU A 39 -4.884 -10.370 7.069 1.00 0.38 C ATOM 609 CD GLU A 39 -5.053 -11.046 8.411 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.511 -10.534 9.412 1.00 1.39 O ATOM 611 OE2 GLU A 39 -5.725 -12.096 8.473 1.00 1.24 O ATOM 0 H GLU A 39 -4.087 -7.629 5.904 1.00 0.25 H new ATOM 0 HA GLU A 39 -6.072 -9.471 4.735 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.701 -8.457 7.570 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.892 -9.632 7.049 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.990 -11.111 6.277 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.875 -9.966 6.994 1.00 0.38 H new ATOM 618 N VAL A 40 -7.718 -7.719 4.251 1.00 0.20 N ATOM 619 CA VAL A 40 -8.760 -6.753 3.947 1.00 0.20 C ATOM 620 C VAL A 40 -10.134 -7.316 4.262 1.00 0.21 C ATOM 621 O VAL A 40 -10.478 -8.406 3.806 1.00 0.20 O ATOM 622 CB VAL A 40 -8.742 -6.365 2.454 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.886 -5.417 2.120 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.402 -5.758 2.069 1.00 0.22 C ATOM 0 H VAL A 40 -7.683 -8.509 3.607 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.563 -5.876 4.563 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.882 -7.274 1.869 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.849 -5.160 1.061 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.837 -5.901 2.343 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.793 -4.510 2.717 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.413 -5.492 1.012 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.223 -4.864 2.666 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.608 -6.482 2.253 1.00 0.22 H new ATOM 634 N VAL A 41 -10.906 -6.587 5.051 1.00 0.24 N ATOM 635 CA VAL A 41 -12.262 -7.002 5.375 1.00 0.27 C ATOM 636 C VAL A 41 -13.259 -6.010 4.767 1.00 0.29 C ATOM 637 O VAL A 41 -13.038 -4.797 4.796 1.00 0.31 O ATOM 638 CB VAL A 41 -12.492 -7.136 6.905 1.00 0.31 C ATOM 639 CG1 VAL A 41 -12.481 -5.784 7.600 1.00 0.70 C ATOM 640 CG2 VAL A 41 -13.796 -7.871 7.186 1.00 0.95 C ATOM 0 H VAL A 41 -10.618 -5.707 5.478 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.418 -7.992 4.947 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.665 -7.718 7.311 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -12.645 -5.923 8.669 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -11.517 -5.301 7.441 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.273 -5.157 7.190 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -13.941 -7.956 8.263 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -14.627 -7.317 6.750 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -13.754 -8.867 6.746 1.00 0.95 H new ATOM 650 N GLN A 42 -14.331 -6.526 4.180 1.00 0.31 N ATOM 651 CA GLN A 42 -15.337 -5.669 3.565 1.00 0.36 C ATOM 652 C GLN A 42 -16.361 -5.188 4.588 1.00 0.30 C ATOM 653 O GLN A 42 -17.141 -5.972 5.129 1.00 0.42 O ATOM 654 CB GLN A 42 -16.037 -6.380 2.401 1.00 0.53 C ATOM 655 CG GLN A 42 -16.476 -7.805 2.705 1.00 1.14 C ATOM 656 CD GLN A 42 -17.192 -8.448 1.534 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.563 -9.035 0.651 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.509 -8.343 1.518 1.00 1.59 N ATOM 0 H GLN A 42 -14.526 -7.525 4.117 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.818 -4.796 3.170 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -16.911 -5.798 2.109 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.364 -6.396 1.544 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -15.604 -8.403 2.968 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -17.134 -7.803 3.574 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.990 -7.848 2.269 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -19.044 -8.757 0.755 1.00 1.59 H new ATOM 667 N ASN A 43 -16.339 -3.894 4.853 1.00 0.30 N ATOM 668 CA ASN A 43 -17.262 -3.283 5.795 1.00 0.37 C ATOM 669 C ASN A 43 -17.997 -2.121 5.125 1.00 0.34 C ATOM 670 O ASN A 43 -17.699 -0.954 5.380 1.00 0.37 O ATOM 671 CB ASN A 43 -16.489 -2.785 7.023 1.00 0.53 C ATOM 672 CG ASN A 43 -17.380 -2.151 8.074 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.480 -2.636 8.344 1.00 1.44 O ATOM 674 ND2 ASN A 43 -16.912 -1.063 8.666 1.00 1.73 N ATOM 0 H ASN A 43 -15.685 -3.239 4.424 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.996 -4.023 6.114 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.951 -3.621 7.469 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.742 -2.059 6.704 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.469 -0.590 9.378 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.995 -0.697 8.410 1.00 1.73 H new ATOM 681 N GLY A 44 -18.944 -2.444 4.245 1.00 0.35 N ATOM 682 CA GLY A 44 -19.684 -1.417 3.540 1.00 0.37 C ATOM 683 C GLY A 44 -18.790 -0.705 2.556 1.00 0.34 C ATOM 684 O GLY A 44 -18.484 -1.233 1.486 1.00 0.40 O ATOM 0 H GLY A 44 -19.210 -3.400 4.010 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.529 -1.864 3.016 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.094 -0.701 4.253 1.00 0.37 H new ATOM 688 N ASN A 45 -18.360 0.489 2.917 1.00 0.31 N ATOM 689 CA ASN A 45 -17.459 1.255 2.073 1.00 0.29 C ATOM 690 C ASN A 45 -16.173 1.519 2.833 1.00 0.28 C ATOM 691 O ASN A 45 -15.315 2.292 2.401 1.00 0.29 O ATOM 692 CB ASN A 45 -18.107 2.555 1.606 1.00 0.32 C ATOM 693 CG ASN A 45 -18.387 2.526 0.116 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.278 3.540 -0.573 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.751 1.355 -0.394 1.00 0.43 N ATOM 0 H ASN A 45 -18.619 0.951 3.789 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.231 0.679 1.176 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.038 2.716 2.150 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.452 3.395 1.839 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.952 1.273 -1.391 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.830 0.538 0.211 1.00 0.43 H new ATOM 702 N ASP A 46 -16.058 0.852 3.969 1.00 0.30 N ATOM 703 CA ASP A 46 -14.891 0.963 4.827 1.00 0.29 C ATOM 704 C ASP A 46 -14.017 -0.275 4.658 1.00 0.28 C ATOM 705 O ASP A 46 -14.390 -1.370 5.078 1.00 0.36 O ATOM 706 CB ASP A 46 -15.335 1.104 6.291 1.00 0.33 C ATOM 707 CG ASP A 46 -14.184 1.305 7.256 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.473 2.323 7.136 1.00 1.29 O ATOM 709 OD2 ASP A 46 -14.009 0.460 8.162 1.00 1.36 O ATOM 0 H ASP A 46 -16.773 0.217 4.323 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.316 1.846 4.548 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -16.020 1.948 6.375 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.890 0.212 6.581 1.00 0.33 H new ATOM 714 N PHE A 47 -12.870 -0.112 4.027 1.00 0.23 N ATOM 715 CA PHE A 47 -11.959 -1.219 3.820 1.00 0.23 C ATOM 716 C PHE A 47 -10.758 -1.097 4.741 1.00 0.23 C ATOM 717 O PHE A 47 -10.135 -0.036 4.836 1.00 0.24 O ATOM 718 CB PHE A 47 -11.509 -1.266 2.361 1.00 0.25 C ATOM 719 CG PHE A 47 -12.631 -1.573 1.406 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.411 -0.553 0.876 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.904 -2.880 1.035 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.441 -0.835 -0.003 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.931 -3.165 0.157 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.699 -2.142 -0.362 1.00 0.34 C ATOM 0 H PHE A 47 -12.547 0.779 3.649 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.480 -2.147 4.055 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.064 -0.308 2.093 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.730 -2.021 2.251 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.211 0.471 1.153 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.307 -3.685 1.437 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.042 -0.034 -0.407 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.133 -4.188 -0.124 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.502 -2.365 -1.049 1.00 0.34 H new ATOM 734 N THR A 48 -10.443 -2.174 5.432 1.00 0.26 N ATOM 735 CA THR A 48 -9.322 -2.171 6.346 1.00 0.27 C ATOM 736 C THR A 48 -8.056 -2.627 5.647 1.00 0.28 C ATOM 737 O THR A 48 -8.002 -3.734 5.110 1.00 0.38 O ATOM 738 CB THR A 48 -9.581 -3.095 7.541 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.782 -4.433 7.071 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.799 -2.636 8.320 1.00 0.56 C ATOM 0 H THR A 48 -10.947 -3.059 5.377 1.00 0.26 H new ATOM 0 HA THR A 48 -9.199 -1.147 6.700 1.00 0.27 H new ATOM 0 HB THR A 48 -8.717 -3.063 8.204 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.289 -4.563 6.234 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.965 -3.306 9.164 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.635 -1.623 8.687 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.673 -2.649 7.669 1.00 0.56 H new ATOM 748 N TRP A 49 -7.047 -1.783 5.635 1.00 0.23 N ATOM 749 CA TRP A 49 -5.796 -2.148 5.019 1.00 0.23 C ATOM 750 C TRP A 49 -4.825 -2.562 6.117 1.00 0.23 C ATOM 751 O TRP A 49 -4.256 -1.717 6.809 1.00 0.24 O ATOM 752 CB TRP A 49 -5.238 -0.976 4.211 1.00 0.25 C ATOM 753 CG TRP A 49 -4.828 -1.328 2.813 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.567 -1.278 2.292 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.684 -1.774 1.754 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.585 -1.665 0.976 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.872 -1.973 0.620 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.057 -2.022 1.651 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.387 -2.408 -0.597 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.567 -2.456 0.443 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.732 -2.646 -0.668 1.00 0.42 C ATOM 0 H TRP A 49 -7.070 -0.848 6.042 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.946 -2.979 4.330 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.991 -0.189 4.169 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.376 -0.565 4.737 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.684 -0.978 2.837 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.772 -1.715 0.362 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.707 -1.877 2.501 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.747 -2.553 -1.455 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.625 -2.652 0.352 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.160 -2.987 -1.599 1.00 0.42 H new ATOM 772 N THR A 50 -4.673 -3.859 6.293 1.00 0.22 N ATOM 773 CA THR A 50 -3.785 -4.389 7.314 1.00 0.24 C ATOM 774 C THR A 50 -2.530 -4.967 6.683 1.00 0.25 C ATOM 775 O THR A 50 -2.613 -5.910 5.908 1.00 0.35 O ATOM 776 CB THR A 50 -4.487 -5.499 8.115 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.875 -5.173 8.288 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.824 -5.706 9.469 1.00 0.28 C ATOM 0 H THR A 50 -5.154 -4.570 5.741 1.00 0.22 H new ATOM 0 HA THR A 50 -3.517 -3.568 7.979 1.00 0.24 H new ATOM 0 HB THR A 50 -4.402 -6.430 7.554 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.400 -5.588 7.572 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.343 -6.497 10.011 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.781 -5.989 9.324 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.872 -4.781 10.043 1.00 0.28 H new ATOM 786 N GLN A 51 -1.378 -4.403 7.008 1.00 0.22 N ATOM 787 CA GLN A 51 -0.125 -4.885 6.464 1.00 0.23 C ATOM 788 C GLN A 51 0.723 -5.521 7.554 1.00 0.22 C ATOM 789 O GLN A 51 1.112 -4.862 8.521 1.00 0.24 O ATOM 790 CB GLN A 51 0.655 -3.744 5.818 1.00 0.27 C ATOM 791 CG GLN A 51 0.628 -3.768 4.302 1.00 0.56 C ATOM 792 CD GLN A 51 -0.579 -3.060 3.729 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.037 -2.052 4.264 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.118 -3.601 2.652 1.00 0.82 N ATOM 0 H GLN A 51 -1.288 -3.612 7.645 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.356 -5.634 5.707 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.247 -2.795 6.165 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.691 -3.788 6.155 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.535 -3.300 3.919 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.634 -4.803 3.959 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.705 -4.438 2.241 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -1.947 -3.182 2.231 1.00 0.82 H new ATOM 803 N HIS A 52 1.017 -6.795 7.385 1.00 0.22 N ATOM 804 CA HIS A 52 1.822 -7.527 8.348 1.00 0.23 C ATOM 805 C HIS A 52 3.240 -7.685 7.845 1.00 0.23 C ATOM 806 O HIS A 52 3.469 -8.138 6.720 1.00 0.26 O ATOM 807 CB HIS A 52 1.214 -8.902 8.636 1.00 0.24 C ATOM 808 CG HIS A 52 -0.165 -8.848 9.208 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.406 -8.315 10.449 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.334 -9.258 8.665 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.711 -8.418 10.636 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.315 -8.986 9.581 1.00 0.35 N ATOM 0 H HIS A 52 0.709 -7.349 6.586 1.00 0.22 H new ATOM 0 HA HIS A 52 1.838 -6.954 9.275 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.191 -9.479 7.711 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.863 -9.437 9.329 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.468 -9.713 7.695 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -2.226 -8.087 11.526 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.312 -9.178 9.481 1.00 0.35 H new ATOM 820 N PHE A 53 4.184 -7.297 8.680 1.00 0.25 N ATOM 821 CA PHE A 53 5.588 -7.386 8.341 1.00 0.27 C ATOM 822 C PHE A 53 6.221 -8.600 9.018 1.00 0.31 C ATOM 823 O PHE A 53 6.117 -8.761 10.237 1.00 0.34 O ATOM 824 CB PHE A 53 6.298 -6.101 8.766 1.00 0.24 C ATOM 825 CG PHE A 53 7.537 -5.816 7.985 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.540 -5.936 6.610 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.696 -5.434 8.623 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.682 -5.678 5.884 1.00 1.13 C ATOM 829 CE2 PHE A 53 9.842 -5.175 7.905 1.00 1.23 C ATOM 830 CZ PHE A 53 9.833 -5.298 6.532 1.00 0.34 C ATOM 0 H PHE A 53 4.000 -6.914 9.607 1.00 0.25 H new ATOM 0 HA PHE A 53 5.691 -7.507 7.263 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.610 -5.263 8.658 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.553 -6.170 9.824 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.638 -6.235 6.098 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.706 -5.336 9.699 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.673 -5.774 4.808 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.745 -4.876 8.416 1.00 1.23 H new ATOM 0 HZ PHE A 53 10.730 -5.096 5.966 1.00 0.34 H new ATOM 840 N PRO A 54 6.873 -9.476 8.232 1.00 0.35 N ATOM 841 CA PRO A 54 7.519 -10.687 8.757 1.00 0.41 C ATOM 842 C PRO A 54 8.629 -10.359 9.747 1.00 0.39 C ATOM 843 O PRO A 54 9.644 -9.764 9.382 1.00 0.37 O ATOM 844 CB PRO A 54 8.121 -11.348 7.514 1.00 0.46 C ATOM 845 CG PRO A 54 8.188 -10.273 6.485 1.00 0.45 C ATOM 846 CD PRO A 54 7.041 -9.353 6.776 1.00 0.39 C ATOM 0 HA PRO A 54 6.811 -11.317 9.295 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.111 -11.752 7.725 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.504 -12.179 7.174 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.138 -9.741 6.537 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.110 -10.689 5.480 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.263 -8.327 6.481 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.140 -9.651 6.240 1.00 0.39 H new ATOM 854 N GLY A 55 8.427 -10.764 10.992 1.00 0.43 N ATOM 855 CA GLY A 55 9.406 -10.510 12.032 1.00 0.46 C ATOM 856 C GLY A 55 9.582 -9.030 12.328 1.00 0.41 C ATOM 857 O GLY A 55 10.577 -8.634 12.930 1.00 0.43 O ATOM 0 H GLY A 55 7.597 -11.268 11.303 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.102 -11.024 12.944 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.365 -10.932 11.732 1.00 0.46 H new ATOM 861 N GLY A 56 8.616 -8.219 11.915 1.00 0.37 N ATOM 862 CA GLY A 56 8.706 -6.791 12.137 1.00 0.34 C ATOM 863 C GLY A 56 7.413 -6.192 12.644 1.00 0.35 C ATOM 864 O GLY A 56 6.475 -6.919 12.994 1.00 0.41 O ATOM 0 H GLY A 56 7.772 -8.526 11.430 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.500 -6.589 12.856 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.987 -6.300 11.205 1.00 0.34 H new ATOM 868 N ARG A 57 7.357 -4.867 12.666 1.00 0.34 N ATOM 869 CA ARG A 57 6.183 -4.152 13.147 1.00 0.38 C ATOM 870 C ARG A 57 5.029 -4.226 12.154 1.00 0.31 C ATOM 871 O ARG A 57 5.233 -4.175 10.942 1.00 0.28 O ATOM 872 CB ARG A 57 6.533 -2.682 13.436 1.00 0.45 C ATOM 873 CG ARG A 57 6.898 -1.860 12.202 1.00 0.43 C ATOM 874 CD ARG A 57 5.737 -0.983 11.736 1.00 0.53 C ATOM 875 NE ARG A 57 5.665 0.283 12.471 1.00 1.58 N ATOM 876 CZ ARG A 57 4.589 1.074 12.501 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.480 0.729 11.855 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.623 2.211 13.183 1.00 3.34 N ATOM 0 H ARG A 57 8.117 -4.262 12.354 1.00 0.34 H new ATOM 0 HA ARG A 57 5.862 -4.635 14.070 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.684 -2.211 13.932 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.368 -2.652 14.136 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.760 -1.232 12.427 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.194 -2.530 11.394 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.845 -0.776 10.671 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.801 -1.527 11.861 1.00 0.53 H new ATOM 0 HE ARG A 57 6.490 0.579 12.993 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.446 -0.146 11.331 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.663 1.339 11.883 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.470 2.480 13.684 1.00 3.34 H new ATOM 0 HH22 ARG A 57 3.802 2.816 13.207 1.00 3.34 H new ATOM 892 N THR A 58 3.820 -4.349 12.673 1.00 0.36 N ATOM 893 CA THR A 58 2.643 -4.409 11.834 1.00 0.31 C ATOM 894 C THR A 58 2.131 -2.998 11.572 1.00 0.28 C ATOM 895 O THR A 58 2.433 -2.066 12.320 1.00 0.33 O ATOM 896 CB THR A 58 1.534 -5.274 12.476 1.00 0.35 C ATOM 897 OG1 THR A 58 0.508 -5.546 11.515 1.00 0.34 O ATOM 898 CG2 THR A 58 0.927 -4.588 13.691 1.00 0.39 C ATOM 0 H THR A 58 3.631 -4.409 13.673 1.00 0.36 H new ATOM 0 HA THR A 58 2.918 -4.877 10.889 1.00 0.31 H new ATOM 0 HB THR A 58 1.988 -6.209 12.804 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.442 -6.513 11.372 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.151 -5.223 14.118 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.703 -4.413 14.436 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.491 -3.635 13.391 1.00 0.39 H new ATOM 906 N THR A 59 1.391 -2.833 10.493 1.00 0.25 N ATOM 907 CA THR A 59 0.847 -1.535 10.142 1.00 0.27 C ATOM 908 C THR A 59 -0.572 -1.687 9.618 1.00 0.24 C ATOM 909 O THR A 59 -0.806 -2.375 8.629 1.00 0.36 O ATOM 910 CB THR A 59 1.716 -0.840 9.079 1.00 0.32 C ATOM 911 OG1 THR A 59 3.107 -0.993 9.407 1.00 0.49 O ATOM 912 CG2 THR A 59 1.373 0.641 8.979 1.00 0.48 C ATOM 0 H THR A 59 1.152 -3.582 9.843 1.00 0.25 H new ATOM 0 HA THR A 59 0.840 -0.919 11.041 1.00 0.27 H new ATOM 0 HB THR A 59 1.515 -1.308 8.115 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.582 -0.157 9.216 1.00 0.49 H new ATOM 0 HG21 THR A 59 2.001 1.109 8.221 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.325 0.754 8.702 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.548 1.121 9.942 1.00 0.48 H new ATOM 920 N THR A 60 -1.526 -1.077 10.300 1.00 0.26 N ATOM 921 CA THR A 60 -2.916 -1.154 9.890 1.00 0.23 C ATOM 922 C THR A 60 -3.543 0.228 9.758 1.00 0.22 C ATOM 923 O THR A 60 -3.443 1.059 10.661 1.00 0.26 O ATOM 924 CB THR A 60 -3.745 -1.982 10.887 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.013 -3.152 11.279 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.082 -2.389 10.275 1.00 0.24 C ATOM 0 H THR A 60 -1.363 -0.523 11.141 1.00 0.26 H new ATOM 0 HA THR A 60 -2.924 -1.642 8.915 1.00 0.23 H new ATOM 0 HB THR A 60 -3.940 -1.366 11.765 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.546 -3.673 11.915 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.650 -2.973 10.998 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.646 -1.496 10.007 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.906 -2.989 9.382 1.00 0.24 H new ATOM 934 N ASN A 61 -4.165 0.467 8.612 1.00 0.25 N ATOM 935 CA ASN A 61 -4.861 1.717 8.345 1.00 0.26 C ATOM 936 C ASN A 61 -6.159 1.430 7.627 1.00 0.29 C ATOM 937 O ASN A 61 -6.176 0.928 6.504 1.00 0.51 O ATOM 938 CB ASN A 61 -4.009 2.716 7.538 1.00 0.36 C ATOM 939 CG ASN A 61 -3.064 2.091 6.517 1.00 0.87 C ATOM 940 OD1 ASN A 61 -1.945 2.564 6.337 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.511 1.062 5.818 1.00 1.72 N ATOM 0 H ASN A 61 -4.201 -0.200 7.841 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.064 2.189 9.306 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.678 3.401 7.017 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.421 3.313 8.235 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -2.921 0.636 5.103 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -4.446 0.694 5.993 1.00 1.72 H new ATOM 948 N SER A 62 -7.243 1.748 8.286 1.00 0.21 N ATOM 949 CA SER A 62 -8.562 1.531 7.742 1.00 0.25 C ATOM 950 C SER A 62 -9.087 2.822 7.135 1.00 0.23 C ATOM 951 O SER A 62 -8.784 3.908 7.632 1.00 0.29 O ATOM 952 CB SER A 62 -9.472 1.026 8.852 1.00 0.34 C ATOM 953 OG SER A 62 -8.940 -0.142 9.447 1.00 1.04 O ATOM 0 H SER A 62 -7.238 2.166 9.217 1.00 0.21 H new ATOM 0 HA SER A 62 -8.529 0.783 6.950 1.00 0.25 H new ATOM 0 HB2 SER A 62 -9.595 1.801 9.608 1.00 0.34 H new ATOM 0 HB3 SER A 62 -10.462 0.815 8.448 1.00 0.34 H new ATOM 0 HG SER A 62 -9.540 -0.449 10.159 1.00 1.04 H new ATOM 959 N PHE A 63 -9.873 2.715 6.072 1.00 0.18 N ATOM 960 CA PHE A 63 -10.388 3.899 5.396 1.00 0.17 C ATOM 961 C PHE A 63 -11.774 3.674 4.820 1.00 0.18 C ATOM 962 O PHE A 63 -12.121 2.569 4.410 1.00 0.24 O ATOM 963 CB PHE A 63 -9.436 4.320 4.266 1.00 0.17 C ATOM 964 CG PHE A 63 -9.218 3.249 3.228 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.210 2.310 3.381 1.00 0.86 C ATOM 966 CD2 PHE A 63 -10.034 3.173 2.113 1.00 0.88 C ATOM 967 CE1 PHE A 63 -8.021 1.318 2.440 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.854 2.181 1.171 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.847 1.252 1.334 1.00 0.23 C ATOM 0 H PHE A 63 -10.166 1.828 5.662 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.457 4.688 6.145 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.835 5.210 3.779 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.474 4.597 4.697 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.565 2.355 4.246 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.822 3.899 1.978 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.229 0.595 2.568 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.500 2.132 0.307 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.704 0.474 0.598 1.00 0.23 H new ATOM 979 N THR A 64 -12.552 4.741 4.781 1.00 0.17 N ATOM 980 CA THR A 64 -13.888 4.698 4.235 1.00 0.19 C ATOM 981 C THR A 64 -13.950 5.544 2.969 1.00 0.18 C ATOM 982 O THR A 64 -13.487 6.684 2.957 1.00 0.19 O ATOM 983 CB THR A 64 -14.923 5.212 5.257 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.013 4.314 6.372 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.295 5.375 4.617 1.00 0.22 C ATOM 0 H THR A 64 -12.272 5.658 5.128 1.00 0.17 H new ATOM 0 HA THR A 64 -14.129 3.662 3.998 1.00 0.19 H new ATOM 0 HB THR A 64 -14.587 6.188 5.607 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.167 3.828 6.470 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.003 5.738 5.362 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.231 6.091 3.797 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.634 4.413 4.233 1.00 0.22 H new ATOM 993 N ILE A 65 -14.472 4.968 1.893 1.00 0.18 N ATOM 994 CA ILE A 65 -14.604 5.680 0.628 1.00 0.18 C ATOM 995 C ILE A 65 -15.400 6.973 0.810 1.00 0.21 C ATOM 996 O ILE A 65 -16.517 6.954 1.335 1.00 0.24 O ATOM 997 CB ILE A 65 -15.284 4.809 -0.452 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.508 3.502 -0.656 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.380 5.579 -1.761 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.065 3.708 -1.068 1.00 0.19 C ATOM 0 H ILE A 65 -14.812 4.007 1.871 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.595 5.920 0.294 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.291 4.561 -0.116 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.534 2.926 0.269 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.012 2.906 -1.416 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.861 4.956 -2.515 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.969 6.484 -1.609 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.379 5.850 -2.098 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.581 2.740 -1.193 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.030 4.256 -2.010 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.544 4.277 -0.298 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.789 8.082 0.386 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.377 9.420 0.468 1.00 0.23 C ATOM 1014 C ASP A 66 -15.307 9.947 1.900 1.00 0.23 C ATOM 1015 O ASP A 66 -16.071 10.828 2.300 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.822 9.422 -0.045 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.230 10.745 -0.656 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.345 11.577 -0.943 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.441 10.954 -0.868 1.00 1.10 O ATOM 0 H ASP A 66 -13.858 8.075 -0.030 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.797 10.085 -0.172 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.939 8.633 -0.788 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.495 9.186 0.779 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.384 9.390 2.670 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.181 9.790 4.050 1.00 0.22 C ATOM 1026 C LYS A 67 -12.685 9.877 4.359 1.00 0.21 C ATOM 1027 O LYS A 67 -11.897 9.078 3.851 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.865 8.792 4.994 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.465 8.935 6.456 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.846 10.297 7.026 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.168 10.542 8.363 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.248 11.964 8.792 1.00 1.59 N ATOM 0 H LYS A 67 -13.757 8.650 2.354 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.625 10.774 4.202 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.945 8.914 4.912 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.632 7.780 4.663 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.946 8.151 7.041 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.389 8.791 6.552 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.563 11.080 6.323 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -15.928 10.353 7.148 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.630 9.911 9.122 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.121 10.245 8.296 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -13.307 12.402 8.721 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.915 12.475 8.178 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -14.578 12.011 9.777 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.304 10.876 5.148 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.917 11.053 5.561 1.00 0.26 C ATOM 1048 C GLU A 68 -10.551 9.941 6.546 1.00 0.23 C ATOM 1049 O GLU A 68 -11.319 9.635 7.457 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.727 12.455 6.170 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.751 12.520 7.334 1.00 1.35 C ATOM 1052 CD GLU A 68 -10.454 12.480 8.676 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -11.645 12.867 8.743 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -9.825 12.060 9.669 1.00 2.51 O ATOM 0 H GLU A 68 -12.943 11.581 5.517 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.249 10.983 4.703 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -10.383 13.131 5.388 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.696 12.824 6.506 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -9.053 11.686 7.267 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -9.163 13.435 7.261 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.395 9.329 6.359 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.982 8.233 7.219 1.00 0.18 C ATOM 1063 C ALA A 69 -7.600 8.451 7.820 1.00 0.21 C ATOM 1064 O ALA A 69 -6.759 9.142 7.239 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.004 6.933 6.435 1.00 0.18 C ATOM 0 H ALA A 69 -8.729 9.570 5.625 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.689 8.185 8.047 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.694 6.113 7.082 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.014 6.745 6.070 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.320 7.006 5.589 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.386 7.845 8.983 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.117 7.923 9.697 1.00 0.24 C ATOM 1073 C ASP A 70 -5.187 6.826 9.206 1.00 0.22 C ATOM 1074 O ASP A 70 -5.494 5.638 9.340 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.342 7.766 11.202 1.00 0.31 C ATOM 1076 CG ASP A 70 -6.546 9.090 11.906 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.666 9.641 11.833 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -5.594 9.583 12.539 1.00 1.95 O ATOM 0 H ASP A 70 -8.092 7.283 9.459 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.667 8.897 9.507 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.213 7.132 11.370 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.486 7.254 11.641 1.00 0.31 H new ATOM 1083 N MET A 71 -4.058 7.212 8.641 1.00 0.20 N ATOM 1084 CA MET A 71 -3.115 6.245 8.113 1.00 0.20 C ATOM 1085 C MET A 71 -1.736 6.388 8.745 1.00 0.22 C ATOM 1086 O MET A 71 -1.444 7.374 9.425 1.00 0.26 O ATOM 1087 CB MET A 71 -2.987 6.411 6.608 1.00 0.22 C ATOM 1088 CG MET A 71 -4.320 6.430 5.899 1.00 0.19 C ATOM 1089 SD MET A 71 -4.311 7.466 4.433 1.00 0.20 S ATOM 1090 CE MET A 71 -6.069 7.662 4.215 1.00 0.20 C ATOM 0 H MET A 71 -3.773 8.186 8.536 1.00 0.20 H new ATOM 0 HA MET A 71 -3.501 5.255 8.354 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.455 7.338 6.395 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.381 5.597 6.209 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.592 5.413 5.618 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.087 6.787 6.586 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.271 8.047 3.216 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.561 6.697 4.338 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.452 8.362 4.958 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.895 5.401 8.488 1.00 0.24 N ATOM 1101 CA GLU A 72 0.468 5.375 8.986 1.00 0.25 C ATOM 1102 C GLU A 72 1.297 4.490 8.068 1.00 0.26 C ATOM 1103 O GLU A 72 0.794 3.490 7.563 1.00 0.29 O ATOM 1104 CB GLU A 72 0.509 4.833 10.427 1.00 0.28 C ATOM 1105 CG GLU A 72 1.887 4.340 10.861 1.00 0.30 C ATOM 1106 CD GLU A 72 1.868 3.572 12.167 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.426 2.404 12.170 1.00 1.47 O ATOM 1108 OE2 GLU A 72 2.324 4.122 13.193 1.00 1.32 O ATOM 0 H GLU A 72 -1.142 4.589 7.923 1.00 0.24 H new ATOM 0 HA GLU A 72 0.874 6.387 8.998 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.182 5.617 11.110 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.205 4.014 10.518 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.299 3.702 10.079 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.556 5.195 10.961 1.00 0.30 H new ATOM 1115 N THR A 73 2.539 4.865 7.822 1.00 0.26 N ATOM 1116 CA THR A 73 3.404 4.064 6.971 1.00 0.28 C ATOM 1117 C THR A 73 4.297 3.185 7.824 1.00 0.30 C ATOM 1118 O THR A 73 4.367 3.350 9.045 1.00 0.36 O ATOM 1119 CB THR A 73 4.292 4.931 6.058 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.325 5.562 6.827 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.474 5.990 5.344 1.00 0.32 C ATOM 0 H THR A 73 2.970 5.711 8.195 1.00 0.26 H new ATOM 0 HA THR A 73 2.755 3.457 6.339 1.00 0.28 H new ATOM 0 HB THR A 73 4.741 4.277 5.310 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.132 5.654 6.278 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.127 6.586 4.707 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.711 5.509 4.732 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.995 6.637 6.079 1.00 0.32 H new ATOM 1129 N MET A 74 5.002 2.267 7.183 1.00 0.32 N ATOM 1130 CA MET A 74 5.908 1.377 7.894 1.00 0.34 C ATOM 1131 C MET A 74 7.151 2.136 8.328 1.00 0.31 C ATOM 1132 O MET A 74 7.928 1.657 9.155 1.00 0.37 O ATOM 1133 CB MET A 74 6.295 0.188 7.015 1.00 0.42 C ATOM 1134 CG MET A 74 5.243 -0.902 6.966 1.00 0.76 C ATOM 1135 SD MET A 74 5.732 -2.290 5.922 1.00 0.93 S ATOM 1136 CE MET A 74 4.455 -3.483 6.319 1.00 1.05 C ATOM 0 H MET A 74 4.965 2.118 6.175 1.00 0.32 H new ATOM 0 HA MET A 74 5.397 0.998 8.779 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.485 0.543 6.002 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.229 -0.237 7.384 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.051 -1.262 7.977 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.308 -0.483 6.593 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.916 -4.413 6.652 1.00 1.05 H new ATOM 0 HE2 MET A 74 3.822 -3.088 7.113 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.849 -3.675 5.434 1.00 1.05 H new ATOM 1146 N GLY A 75 7.335 3.322 7.754 1.00 0.28 N ATOM 1147 CA GLY A 75 8.472 4.148 8.099 1.00 0.31 C ATOM 1148 C GLY A 75 8.244 4.898 9.395 1.00 0.35 C ATOM 1149 O GLY A 75 9.187 5.353 10.038 1.00 0.48 O ATOM 0 H GLY A 75 6.712 3.724 7.053 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.361 3.524 8.191 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.663 4.859 7.295 1.00 0.31 H new ATOM 1153 N GLY A 76 6.978 5.019 9.773 1.00 0.34 N ATOM 1154 CA GLY A 76 6.625 5.709 10.997 1.00 0.39 C ATOM 1155 C GLY A 76 6.048 7.087 10.743 1.00 0.38 C ATOM 1156 O GLY A 76 6.333 8.033 11.476 1.00 0.48 O ATOM 0 H GLY A 76 6.185 4.649 9.249 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.900 5.112 11.550 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.510 5.800 11.627 1.00 0.39 H new ATOM 1160 N ARG A 77 5.237 7.205 9.702 1.00 0.38 N ATOM 1161 CA ARG A 77 4.628 8.480 9.360 1.00 0.38 C ATOM 1162 C ARG A 77 3.168 8.514 9.782 1.00 0.37 C ATOM 1163 O ARG A 77 2.400 7.618 9.441 1.00 0.36 O ATOM 1164 CB ARG A 77 4.723 8.733 7.855 1.00 0.37 C ATOM 1165 CG ARG A 77 6.087 8.464 7.273 1.00 0.39 C ATOM 1166 CD ARG A 77 6.102 8.721 5.782 1.00 0.43 C ATOM 1167 NE ARG A 77 6.580 10.064 5.458 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.630 10.316 4.678 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.359 9.321 4.191 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.963 11.574 4.407 1.00 0.85 N ATOM 0 H ARG A 77 4.986 6.435 9.082 1.00 0.38 H new ATOM 0 HA ARG A 77 5.171 9.260 9.894 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.992 8.106 7.345 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.451 9.769 7.653 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.826 9.098 7.762 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.373 7.431 7.470 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.739 7.983 5.294 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.097 8.589 5.382 1.00 0.43 H new ATOM 0 HE ARG A 77 6.078 10.858 5.854 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.117 8.355 4.413 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.162 9.521 3.594 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.415 12.342 4.796 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.766 11.772 3.810 1.00 0.85 H new ATOM 1184 N LYS A 78 2.797 9.544 10.530 1.00 0.42 N ATOM 1185 CA LYS A 78 1.422 9.714 10.986 1.00 0.43 C ATOM 1186 C LYS A 78 0.735 10.748 10.109 1.00 0.39 C ATOM 1187 O LYS A 78 1.210 11.880 9.998 1.00 0.44 O ATOM 1188 CB LYS A 78 1.392 10.172 12.447 1.00 0.57 C ATOM 1189 CG LYS A 78 2.259 9.338 13.374 1.00 0.75 C ATOM 1190 CD LYS A 78 1.665 7.963 13.621 1.00 1.12 C ATOM 1191 CE LYS A 78 2.426 7.227 14.714 1.00 1.69 C ATOM 1192 NZ LYS A 78 1.789 5.929 15.053 1.00 1.76 N ATOM 0 H LYS A 78 3.433 10.280 10.836 1.00 0.42 H new ATOM 0 HA LYS A 78 0.901 8.759 10.915 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.718 11.211 12.498 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.363 10.143 12.805 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.254 9.231 12.942 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.378 9.858 14.325 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.618 8.062 13.906 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.691 7.381 12.700 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.452 7.054 14.389 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.475 7.851 15.606 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.365 5.435 15.765 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 0.837 6.099 15.435 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.719 5.343 14.197 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.373 10.367 9.482 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.086 11.285 8.599 1.00 0.31 C ATOM 1208 C PHE A 79 -2.522 10.840 8.340 1.00 0.28 C ATOM 1209 O PHE A 79 -2.940 9.751 8.732 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.322 11.390 7.273 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.230 10.085 6.538 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.794 9.201 6.819 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.166 9.739 5.578 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.886 7.996 6.162 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.080 8.532 4.914 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.054 7.656 5.203 1.00 0.26 C ATOM 0 H PHE A 79 -0.793 9.441 9.566 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.138 12.257 9.089 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.814 12.125 6.635 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.684 11.761 7.469 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.532 9.459 7.564 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.971 10.420 5.346 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.691 7.315 6.394 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.816 8.273 4.168 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.016 6.711 4.685 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.269 11.708 7.679 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.654 11.441 7.341 1.00 0.33 C ATOM 1228 C LYS A 80 -4.942 11.937 5.936 1.00 0.27 C ATOM 1229 O LYS A 80 -4.491 13.017 5.548 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.587 12.114 8.344 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.491 11.528 9.740 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.408 12.613 10.795 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.756 13.292 11.005 1.00 1.64 C ATOM 1234 NZ LYS A 80 -7.809 12.330 11.436 1.00 2.55 N ATOM 0 H LYS A 80 -2.931 12.617 7.362 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.828 10.366 7.381 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.355 13.178 8.388 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.614 12.025 7.990 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.360 10.899 9.932 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.612 10.887 9.807 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.066 12.182 11.736 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.668 13.356 10.497 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.653 14.076 11.755 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -7.065 13.776 10.079 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.485 12.185 10.659 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -7.368 11.422 11.686 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -8.310 12.711 12.264 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.685 11.149 5.185 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.015 11.492 3.815 1.00 0.20 C ATOM 1250 C ALA A 81 -7.399 10.983 3.437 1.00 0.19 C ATOM 1251 O ALA A 81 -7.967 10.127 4.120 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.969 10.922 2.871 1.00 0.21 C ATOM 0 H ALA A 81 -6.074 10.261 5.502 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.023 12.579 3.729 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.224 11.184 1.844 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.991 11.335 3.119 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.940 9.837 2.972 1.00 0.21 H new ATOM 1258 N THR A 82 -7.947 11.523 2.365 1.00 0.19 N ATOM 1259 CA THR A 82 -9.256 11.106 1.891 1.00 0.19 C ATOM 1260 C THR A 82 -9.103 10.065 0.793 1.00 0.20 C ATOM 1261 O THR A 82 -8.232 10.180 -0.072 1.00 0.28 O ATOM 1262 CB THR A 82 -10.072 12.293 1.353 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.645 13.502 1.999 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.565 12.080 1.588 1.00 0.25 C ATOM 0 H THR A 82 -7.507 12.252 1.804 1.00 0.19 H new ATOM 0 HA THR A 82 -9.791 10.680 2.739 1.00 0.19 H new ATOM 0 HB THR A 82 -9.903 12.371 0.279 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.164 14.258 1.654 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.120 12.933 1.199 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.888 11.173 1.077 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.755 11.981 2.657 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.947 9.047 0.832 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.892 7.988 -0.149 1.00 0.15 C ATOM 1274 C VAL A 83 -11.223 7.881 -0.870 1.00 0.16 C ATOM 1275 O VAL A 83 -12.271 8.023 -0.256 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.564 6.638 0.515 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.438 5.553 -0.529 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.289 6.734 1.329 1.00 0.19 C ATOM 0 H VAL A 83 -10.677 8.936 1.535 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.104 8.228 -0.862 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.382 6.383 1.188 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.206 4.605 -0.043 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.378 5.461 -1.073 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.639 5.809 -1.225 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.077 5.769 1.789 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.462 7.015 0.677 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.410 7.488 2.107 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.177 7.652 -2.171 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.389 7.513 -2.964 1.00 0.19 C ATOM 1290 C LYS A 84 -12.258 6.311 -3.896 1.00 0.19 C ATOM 1291 O LYS A 84 -11.226 5.640 -3.908 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.670 8.797 -3.752 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.507 9.241 -4.618 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.614 10.702 -5.021 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.398 11.146 -5.825 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.563 12.520 -6.371 1.00 1.14 N ATOM 0 H LYS A 84 -10.312 7.558 -2.703 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.235 7.345 -2.297 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.545 8.642 -4.384 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.918 9.596 -3.053 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.573 9.083 -4.078 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.466 8.621 -5.514 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.518 10.853 -5.611 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.709 11.321 -4.129 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.512 11.112 -5.191 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -10.231 10.448 -6.645 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.714 12.783 -6.911 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -11.393 12.548 -6.996 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -10.697 13.191 -5.588 1.00 1.14 H new ATOM 1310 N MET A 85 -13.297 6.033 -4.664 1.00 0.21 N ATOM 1311 CA MET A 85 -13.284 4.898 -5.575 1.00 0.22 C ATOM 1312 C MET A 85 -13.679 5.326 -6.982 1.00 0.28 C ATOM 1313 O MET A 85 -14.627 6.090 -7.162 1.00 0.41 O ATOM 1314 CB MET A 85 -14.234 3.809 -5.070 1.00 0.23 C ATOM 1315 CG MET A 85 -13.539 2.506 -4.709 1.00 0.21 C ATOM 1316 SD MET A 85 -14.681 1.254 -4.094 1.00 0.26 S ATOM 1317 CE MET A 85 -13.547 0.186 -3.211 1.00 0.25 C ATOM 0 H MET A 85 -14.160 6.576 -4.676 1.00 0.21 H new ATOM 0 HA MET A 85 -12.270 4.499 -5.611 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.765 4.181 -4.194 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.983 3.610 -5.836 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.022 2.120 -5.587 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.779 2.702 -3.952 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.103 -0.624 -2.739 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.821 -0.231 -3.909 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.025 0.762 -2.446 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.938 4.846 -7.970 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.216 5.173 -9.360 1.00 0.32 C ATOM 1329 C GLU A 86 -13.251 3.905 -10.214 1.00 0.29 C ATOM 1330 O GLU A 86 -12.213 3.320 -10.521 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.176 6.159 -9.906 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.740 5.808 -9.541 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.735 6.457 -10.466 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.397 7.641 -10.255 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -9.276 5.784 -11.413 1.00 2.46 O ATOM 0 H GLU A 86 -12.138 4.228 -7.834 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.196 5.649 -9.407 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.265 6.201 -10.992 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.403 7.156 -9.529 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.542 6.121 -8.516 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.614 4.726 -9.574 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.456 3.468 -10.562 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.614 2.282 -11.386 1.00 0.46 C ATOM 1344 C GLY A 87 -14.076 1.023 -10.723 1.00 0.38 C ATOM 1345 O GLY A 87 -13.410 0.214 -11.369 1.00 0.36 O ATOM 0 H GLY A 87 -15.330 3.916 -10.287 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.671 2.143 -11.614 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.100 2.434 -12.335 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.358 0.861 -9.433 1.00 0.36 N ATOM 1350 CA GLY A 88 -13.899 -0.314 -8.705 1.00 0.33 C ATOM 1351 C GLY A 88 -12.430 -0.241 -8.327 1.00 0.27 C ATOM 1352 O GLY A 88 -11.807 -1.260 -8.036 1.00 0.32 O ATOM 0 H GLY A 88 -14.898 1.523 -8.876 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.496 -0.430 -7.800 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.068 -1.202 -9.315 1.00 0.33 H new ATOM 1356 N LYS A 89 -11.886 0.968 -8.327 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.485 1.189 -7.981 1.00 0.19 C ATOM 1358 C LYS A 89 -10.396 2.179 -6.833 1.00 0.17 C ATOM 1359 O LYS A 89 -10.973 3.263 -6.898 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.694 1.737 -9.177 1.00 0.24 C ATOM 1361 CG LYS A 89 -9.831 0.923 -10.445 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.468 1.735 -11.687 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.068 2.335 -11.609 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.115 1.642 -12.514 1.00 1.76 N ATOM 0 H LYS A 89 -12.397 1.818 -8.564 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.054 0.231 -7.690 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.023 2.757 -9.377 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.640 1.789 -8.906 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.187 0.046 -10.384 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.855 0.561 -10.535 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.536 1.095 -12.567 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -10.195 2.536 -11.818 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -8.112 3.393 -11.869 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -7.704 2.274 -10.583 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -6.143 1.788 -12.173 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.328 0.624 -12.528 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.206 2.028 -13.475 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.695 1.799 -5.784 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.531 2.668 -4.635 1.00 0.16 C ATOM 1380 C ILE A 90 -8.418 3.672 -4.911 1.00 0.17 C ATOM 1381 O ILE A 90 -7.264 3.294 -5.071 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.198 1.869 -3.357 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.087 0.618 -3.260 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.377 2.755 -2.143 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.337 0.126 -1.843 1.00 0.20 C ATOM 0 H ILE A 90 -9.230 0.895 -5.703 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.475 3.187 -4.470 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.160 1.540 -3.399 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.047 0.833 -3.730 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.624 -0.186 -3.833 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.141 2.189 -1.242 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.709 3.613 -2.217 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.409 3.101 -2.094 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -10.973 -0.759 -1.872 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.387 -0.125 -1.372 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.831 0.909 -1.268 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.769 4.945 -4.984 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.790 5.981 -5.260 1.00 0.17 C ATOM 1399 C VAL A 91 -7.646 6.946 -4.082 1.00 0.16 C ATOM 1400 O VAL A 91 -8.636 7.366 -3.473 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.151 6.753 -6.554 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.563 7.300 -6.483 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.161 7.875 -6.824 1.00 0.25 C ATOM 0 H VAL A 91 -9.722 5.285 -4.856 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.828 5.490 -5.408 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.095 6.047 -7.382 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.792 7.838 -7.403 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.266 6.477 -6.359 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.648 7.980 -5.635 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.443 8.397 -7.739 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.169 8.576 -5.989 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.160 7.458 -6.938 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.404 7.277 -3.758 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.102 8.186 -2.661 1.00 0.19 C ATOM 1415 C ALA A 92 -5.386 9.428 -3.180 1.00 0.20 C ATOM 1416 O ALA A 92 -4.638 9.356 -4.160 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.258 7.474 -1.614 1.00 0.22 C ATOM 0 H ALA A 92 -5.580 6.925 -4.246 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.036 8.503 -2.197 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.036 8.161 -0.797 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.806 6.615 -1.227 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.326 7.136 -2.067 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.619 10.559 -2.527 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.003 11.818 -2.935 1.00 0.26 C ATOM 1425 C ASP A 93 -3.903 12.234 -1.970 1.00 0.22 C ATOM 1426 O ASP A 93 -4.135 12.380 -0.767 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.054 12.919 -3.036 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.435 14.289 -3.227 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.736 14.499 -4.244 1.00 1.19 O ATOM 1430 OD2 ASP A 93 -5.647 15.166 -2.364 1.00 0.88 O ATOM 0 H ASP A 93 -6.229 10.632 -1.713 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.554 11.664 -3.916 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.722 12.705 -3.870 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.663 12.921 -2.132 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.710 12.425 -2.506 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.560 12.813 -1.704 1.00 0.21 C ATOM 1437 C PHE A 94 -0.677 13.793 -2.464 1.00 0.24 C ATOM 1438 O PHE A 94 -0.649 13.785 -3.696 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.733 11.579 -1.332 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.351 10.724 -0.274 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.170 11.023 1.064 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.123 9.629 -0.617 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.748 10.243 2.043 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.704 8.846 0.360 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.517 9.154 1.689 1.00 0.25 C ATOM 0 H PHE A 94 -2.511 12.317 -3.500 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.930 13.294 -0.798 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.579 10.976 -2.227 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.251 11.903 -0.993 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.570 11.876 1.345 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.273 9.384 -1.658 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.599 10.484 3.085 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.305 7.993 0.082 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.972 8.543 2.454 1.00 0.25 H new ATOM 1455 N PRO A 95 0.061 14.648 -1.740 1.00 0.26 N ATOM 1456 CA PRO A 95 0.959 15.626 -2.359 1.00 0.29 C ATOM 1457 C PRO A 95 2.152 14.945 -3.025 1.00 0.26 C ATOM 1458 O PRO A 95 2.983 14.333 -2.351 1.00 0.27 O ATOM 1459 CB PRO A 95 1.416 16.493 -1.183 1.00 0.36 C ATOM 1460 CG PRO A 95 1.233 15.649 0.028 1.00 0.32 C ATOM 1461 CD PRO A 95 0.071 14.739 -0.265 1.00 0.28 C ATOM 0 HA PRO A 95 0.471 16.198 -3.148 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.457 16.793 -1.298 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.826 17.407 -1.117 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.134 15.073 0.241 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.033 16.265 0.905 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.203 13.760 0.196 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.864 15.148 0.117 1.00 0.28 H new ATOM 1469 N ASN A 96 2.215 15.046 -4.355 1.00 0.27 N ATOM 1470 CA ASN A 96 3.292 14.436 -5.146 1.00 0.29 C ATOM 1471 C ASN A 96 3.268 12.914 -5.008 1.00 0.28 C ATOM 1472 O ASN A 96 4.262 12.237 -5.273 1.00 0.37 O ATOM 1473 CB ASN A 96 4.661 14.982 -4.719 1.00 0.35 C ATOM 1474 CG ASN A 96 5.686 14.959 -5.841 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.518 14.267 -6.847 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.759 15.716 -5.675 1.00 1.50 N ATOM 0 H ASN A 96 1.526 15.550 -4.913 1.00 0.27 H new ATOM 0 HA ASN A 96 3.127 14.695 -6.192 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.543 16.006 -4.363 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.035 14.394 -3.881 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.482 15.740 -6.394 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.863 16.275 -4.828 1.00 1.50 H new ATOM 1483 N TYR A 97 2.123 12.381 -4.598 1.00 0.23 N ATOM 1484 CA TYR A 97 1.966 10.948 -4.420 1.00 0.21 C ATOM 1485 C TYR A 97 0.565 10.519 -4.856 1.00 0.21 C ATOM 1486 O TYR A 97 -0.435 11.100 -4.441 1.00 0.24 O ATOM 1487 CB TYR A 97 2.210 10.586 -2.950 1.00 0.22 C ATOM 1488 CG TYR A 97 2.542 9.129 -2.701 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.577 8.138 -2.824 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.826 8.751 -2.320 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.879 6.812 -2.578 1.00 1.14 C ATOM 1492 CE2 TYR A 97 4.135 7.428 -2.074 1.00 1.31 C ATOM 1493 CZ TYR A 97 3.158 6.461 -2.201 1.00 0.32 C ATOM 1494 OH TYR A 97 3.462 5.141 -1.951 1.00 0.38 O ATOM 0 H TYR A 97 1.288 12.925 -4.382 1.00 0.23 H new ATOM 0 HA TYR A 97 2.694 10.421 -5.037 1.00 0.21 H new ATOM 0 HB2 TYR A 97 3.026 11.200 -2.570 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.321 10.845 -2.374 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.573 8.408 -3.117 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.593 9.504 -2.215 1.00 1.28 H new ATOM 0 HE1 TYR A 97 1.117 6.054 -2.681 1.00 1.14 H new ATOM 0 HE2 TYR A 97 5.137 7.151 -1.783 1.00 1.31 H new ATOM 0 HH TYR A 97 2.752 4.568 -2.309 1.00 0.38 H new ATOM 1504 N HIS A 98 0.504 9.516 -5.709 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.766 9.008 -6.207 1.00 0.22 C ATOM 1506 C HIS A 98 -0.845 7.512 -5.955 1.00 0.21 C ATOM 1507 O HIS A 98 -0.063 6.750 -6.515 1.00 0.24 O ATOM 1508 CB HIS A 98 -0.912 9.307 -7.704 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.330 9.324 -8.183 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.093 10.470 -8.222 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.127 8.331 -8.647 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.295 10.183 -8.685 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.343 8.893 -8.951 1.00 1.09 N ATOM 0 H HIS A 98 1.323 9.031 -6.076 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.582 9.504 -5.681 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.455 10.273 -7.918 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.356 8.559 -8.270 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.856 7.291 -8.757 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.103 10.886 -8.823 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.151 8.393 -9.322 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.770 7.098 -5.104 1.00 0.21 N ATOM 1523 CA HIS A 99 -1.914 5.688 -4.779 1.00 0.22 C ATOM 1524 C HIS A 99 -3.271 5.152 -5.228 1.00 0.21 C ATOM 1525 O HIS A 99 -4.318 5.646 -4.804 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.741 5.480 -3.271 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.363 4.081 -2.881 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.050 3.710 -2.717 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.160 3.018 -2.606 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.076 2.440 -2.345 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.331 1.979 -2.266 1.00 0.49 N ATOM 0 H HIS A 99 -2.429 7.714 -4.628 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.140 5.136 -5.312 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -0.976 6.166 -2.907 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.672 5.746 -2.770 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.239 2.994 -2.647 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.803 1.850 -2.132 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.616 1.036 -2.003 1.00 0.49 H new ATOM 1539 N THR A 100 -3.241 4.162 -6.108 1.00 0.22 N ATOM 1540 CA THR A 100 -4.453 3.528 -6.606 1.00 0.22 C ATOM 1541 C THR A 100 -4.377 2.023 -6.397 1.00 0.23 C ATOM 1542 O THR A 100 -3.363 1.400 -6.718 1.00 0.31 O ATOM 1543 CB THR A 100 -4.673 3.815 -8.105 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.470 3.542 -8.833 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.089 5.258 -8.324 1.00 0.24 C ATOM 0 H THR A 100 -2.380 3.777 -6.496 1.00 0.22 H new ATOM 0 HA THR A 100 -5.291 3.945 -6.048 1.00 0.22 H new ATOM 0 HB THR A 100 -5.472 3.167 -8.466 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.615 3.724 -9.785 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.238 5.436 -9.389 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.019 5.454 -7.790 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.309 5.922 -7.951 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.433 1.454 -5.840 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.486 0.024 -5.595 1.00 0.23 C ATOM 1555 C ALA A 101 -6.611 -0.608 -6.395 1.00 0.22 C ATOM 1556 O ALA A 101 -7.690 -0.029 -6.521 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.660 -0.259 -4.112 1.00 0.26 C ATOM 0 H ALA A 101 -6.267 1.963 -5.548 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.543 -0.417 -5.918 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.697 -1.336 -3.949 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.820 0.162 -3.560 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.588 0.193 -3.762 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.363 -1.793 -6.932 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.361 -2.481 -7.732 1.00 0.23 C ATOM 1565 C GLU A 102 -7.045 -3.965 -7.834 1.00 0.24 C ATOM 1566 O GLU A 102 -5.973 -4.415 -7.420 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.435 -1.868 -9.132 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.112 -1.897 -9.875 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.017 -0.809 -10.919 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.684 -0.930 -11.967 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.290 0.181 -10.699 1.00 1.38 O ATOM 0 H GLU A 102 -5.482 -2.296 -6.828 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.327 -2.365 -7.240 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.183 -2.404 -9.716 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.775 -0.835 -9.051 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.295 -1.786 -9.162 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -5.988 -2.868 -10.353 1.00 0.33 H new ATOM 1578 N ILE A 103 -7.979 -4.715 -8.396 1.00 0.27 N ATOM 1579 CA ILE A 103 -7.822 -6.150 -8.564 1.00 0.29 C ATOM 1580 C ILE A 103 -7.698 -6.497 -10.044 1.00 0.31 C ATOM 1581 O ILE A 103 -8.623 -6.260 -10.822 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.018 -6.917 -7.959 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.242 -6.511 -6.496 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -8.801 -8.417 -8.073 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.150 -6.975 -5.551 1.00 0.37 C ATOM 0 H ILE A 103 -8.864 -4.348 -8.747 1.00 0.27 H new ATOM 0 HA ILE A 103 -6.914 -6.448 -8.039 1.00 0.29 H new ATOM 0 HB ILE A 103 -9.913 -6.655 -8.523 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.320 -5.425 -6.439 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.196 -6.917 -6.159 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.653 -8.942 -7.642 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.699 -8.691 -9.123 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -7.894 -8.695 -7.536 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.383 -6.648 -4.538 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.085 -8.063 -5.576 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.196 -6.548 -5.860 1.00 0.37 H new ATOM 1597 N SER A 104 -6.555 -7.042 -10.428 1.00 0.34 N ATOM 1598 CA SER A 104 -6.314 -7.420 -11.810 1.00 0.38 C ATOM 1599 C SER A 104 -6.217 -8.940 -11.947 1.00 0.48 C ATOM 1600 O SER A 104 -5.166 -9.531 -11.689 1.00 0.88 O ATOM 1601 CB SER A 104 -5.033 -6.751 -12.322 1.00 0.55 C ATOM 1602 OG SER A 104 -3.980 -6.865 -11.378 1.00 1.37 O ATOM 0 H SER A 104 -5.776 -7.233 -9.798 1.00 0.34 H new ATOM 0 HA SER A 104 -7.154 -7.079 -12.415 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.732 -7.210 -13.264 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.227 -5.698 -12.528 1.00 0.55 H new ATOM 0 HG SER A 104 -3.905 -7.796 -11.082 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.326 -9.572 -12.320 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.342 -11.014 -12.491 1.00 0.64 C ATOM 1610 C GLY A 105 -7.264 -11.757 -11.172 1.00 0.63 C ATOM 1611 O GLY A 105 -6.687 -12.840 -11.093 1.00 0.96 O ATOM 0 H GLY A 105 -8.216 -9.110 -12.507 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -8.253 -11.304 -13.014 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.504 -11.311 -13.121 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.846 -11.174 -10.135 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.826 -11.807 -8.831 1.00 0.50 C ATOM 1617 C GLY A 106 -6.576 -11.475 -8.036 1.00 0.44 C ATOM 1618 O GLY A 106 -6.294 -12.109 -7.019 1.00 0.48 O ATOM 0 H GLY A 106 -8.330 -10.277 -10.172 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.704 -11.494 -8.266 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.896 -12.888 -8.955 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.819 -10.490 -8.500 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.607 -10.073 -7.811 1.00 0.35 C ATOM 1624 C LYS A 107 -4.681 -8.598 -7.450 1.00 0.32 C ATOM 1625 O LYS A 107 -5.155 -7.780 -8.235 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.374 -10.331 -8.678 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.696 -11.660 -8.395 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.973 -12.191 -9.622 1.00 0.66 C ATOM 1629 CE LYS A 107 -0.755 -13.008 -9.232 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.122 -14.334 -8.664 1.00 1.22 N ATOM 0 H LYS A 107 -6.023 -9.965 -9.351 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.521 -10.660 -6.896 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.666 -10.298 -9.728 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.656 -9.526 -8.521 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -1.986 -11.540 -7.577 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.440 -12.386 -8.067 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.654 -12.807 -10.210 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.668 -11.358 -10.256 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.122 -13.153 -10.107 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.167 -12.453 -8.502 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.330 -14.701 -8.099 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -1.961 -14.232 -8.059 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -1.331 -14.997 -9.437 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.218 -8.274 -6.261 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.210 -6.904 -5.778 1.00 0.28 C ATOM 1646 C LEU A 108 -2.966 -6.198 -6.280 1.00 0.27 C ATOM 1647 O LEU A 108 -1.849 -6.668 -6.078 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.256 -6.904 -4.243 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.387 -5.542 -3.541 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.029 -4.878 -3.387 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.349 -4.625 -4.278 1.00 0.76 C ATOM 0 H LEU A 108 -3.836 -8.951 -5.600 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.085 -6.372 -6.152 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.095 -7.526 -3.931 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.349 -7.385 -3.878 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.796 -5.725 -2.547 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.149 -3.916 -2.888 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.377 -5.517 -2.792 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.586 -4.723 -4.371 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.417 -3.672 -3.754 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -4.986 -4.456 -5.292 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.335 -5.088 -4.318 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.164 -5.084 -6.945 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.056 -4.315 -7.465 1.00 0.29 C ATOM 1665 C VAL A 109 -2.190 -2.857 -7.054 1.00 0.29 C ATOM 1666 O VAL A 109 -3.208 -2.212 -7.313 1.00 0.33 O ATOM 1667 CB VAL A 109 -1.946 -4.447 -9.002 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.289 -4.197 -9.671 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.877 -3.513 -9.556 1.00 0.32 C ATOM 0 H VAL A 109 -4.084 -4.689 -7.139 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.137 -4.716 -7.038 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.646 -5.470 -9.228 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.182 -4.296 -10.751 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.016 -4.924 -9.310 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.633 -3.191 -9.432 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.821 -3.626 -10.639 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.133 -2.482 -9.312 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.088 -3.762 -9.114 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.177 -2.363 -6.368 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.162 -0.983 -5.914 1.00 0.30 C ATOM 1681 C GLU A 110 -0.152 -0.180 -6.712 1.00 0.28 C ATOM 1682 O GLU A 110 0.994 -0.600 -6.883 1.00 0.34 O ATOM 1683 CB GLU A 110 -0.822 -0.905 -4.427 1.00 0.34 C ATOM 1684 CG GLU A 110 -1.968 -1.304 -3.512 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.512 -1.525 -2.088 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -0.933 -2.596 -1.808 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -1.713 -0.623 -1.250 1.00 1.69 O ATOM 0 H GLU A 110 -0.348 -2.900 -6.111 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.157 -0.564 -6.067 1.00 0.30 H new ATOM 0 HB2 GLU A 110 0.033 -1.551 -4.225 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.516 0.113 -4.187 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -2.733 -0.527 -3.530 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.431 -2.216 -3.889 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.591 0.955 -7.222 1.00 0.26 N ATOM 1695 CA ILE A 111 0.270 1.830 -7.990 1.00 0.24 C ATOM 1696 C ILE A 111 0.517 3.112 -7.209 1.00 0.25 C ATOM 1697 O ILE A 111 -0.419 3.715 -6.685 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.327 2.174 -9.375 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.467 0.919 -10.243 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.544 3.199 -10.082 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.799 0.217 -10.093 1.00 0.37 C ATOM 0 H ILE A 111 -1.547 1.293 -7.116 1.00 0.26 H new ATOM 0 HA ILE A 111 1.208 1.302 -8.160 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.321 2.594 -9.219 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.328 1.195 -11.288 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.331 0.222 -9.988 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.113 3.433 -11.056 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.598 4.107 -9.481 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.547 2.793 -10.217 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.822 -0.661 -10.738 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -1.933 -0.091 -9.056 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.603 0.897 -10.376 1.00 0.37 H new ATOM 1713 N SER A 112 1.775 3.514 -7.131 1.00 0.23 N ATOM 1714 CA SER A 112 2.156 4.713 -6.405 1.00 0.24 C ATOM 1715 C SER A 112 3.044 5.602 -7.264 1.00 0.22 C ATOM 1716 O SER A 112 4.198 5.270 -7.533 1.00 0.25 O ATOM 1717 CB SER A 112 2.891 4.349 -5.114 1.00 0.28 C ATOM 1718 OG SER A 112 2.354 3.180 -4.522 1.00 0.37 O ATOM 0 H SER A 112 2.555 3.022 -7.566 1.00 0.23 H new ATOM 0 HA SER A 112 1.245 5.257 -6.155 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.949 4.197 -5.327 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.824 5.178 -4.410 1.00 0.28 H new ATOM 0 HG SER A 112 1.580 3.419 -3.970 1.00 0.37 H new ATOM 1724 N THR A 113 2.500 6.719 -7.710 1.00 0.22 N ATOM 1725 CA THR A 113 3.252 7.652 -8.529 1.00 0.22 C ATOM 1726 C THR A 113 3.954 8.693 -7.669 1.00 0.23 C ATOM 1727 O THR A 113 3.340 9.299 -6.789 1.00 0.26 O ATOM 1728 CB THR A 113 2.337 8.377 -9.524 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.148 7.607 -9.752 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.055 8.615 -10.839 1.00 0.27 C ATOM 0 H THR A 113 1.539 7.003 -7.519 1.00 0.22 H new ATOM 0 HA THR A 113 3.994 7.069 -9.075 1.00 0.22 H new ATOM 0 HB THR A 113 2.064 9.342 -9.097 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.570 8.079 -10.387 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.388 9.130 -11.530 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.940 9.227 -10.665 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.354 7.659 -11.269 1.00 0.27 H new ATOM 1738 N SER A 114 5.240 8.890 -7.921 1.00 0.25 N ATOM 1739 CA SER A 114 6.018 9.863 -7.176 1.00 0.30 C ATOM 1740 C SER A 114 6.881 10.699 -8.114 1.00 0.29 C ATOM 1741 O SER A 114 7.893 10.225 -8.634 1.00 0.30 O ATOM 1742 CB SER A 114 6.900 9.162 -6.145 1.00 0.38 C ATOM 1743 OG SER A 114 7.580 8.063 -6.726 1.00 1.43 O ATOM 0 H SER A 114 5.765 8.387 -8.637 1.00 0.25 H new ATOM 0 HA SER A 114 5.325 10.526 -6.658 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.623 9.869 -5.738 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.288 8.817 -5.311 1.00 0.38 H new ATOM 0 HG SER A 114 7.352 7.243 -6.240 1.00 1.43 H new ATOM 1749 N SER A 115 6.450 11.932 -8.358 1.00 0.37 N ATOM 1750 CA SER A 115 7.177 12.859 -9.227 1.00 0.47 C ATOM 1751 C SER A 115 7.408 12.281 -10.630 1.00 0.47 C ATOM 1752 O SER A 115 8.342 12.679 -11.327 1.00 0.57 O ATOM 1753 CB SER A 115 8.511 13.239 -8.579 1.00 0.54 C ATOM 1754 OG SER A 115 8.317 13.652 -7.239 1.00 0.63 O ATOM 0 H SER A 115 5.592 12.318 -7.963 1.00 0.37 H new ATOM 0 HA SER A 115 6.562 13.751 -9.347 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.190 12.387 -8.607 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.982 14.041 -9.147 1.00 0.54 H new ATOM 0 HG SER A 115 9.181 13.889 -6.842 1.00 0.63 H new ATOM 1760 N GLY A 116 6.551 11.354 -11.045 1.00 0.42 N ATOM 1761 CA GLY A 116 6.685 10.760 -12.359 1.00 0.46 C ATOM 1762 C GLY A 116 6.931 9.266 -12.308 1.00 0.40 C ATOM 1763 O GLY A 116 6.496 8.535 -13.194 1.00 0.46 O ATOM 0 H GLY A 116 5.767 11.005 -10.494 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.780 10.955 -12.934 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.508 11.241 -12.887 1.00 0.46 H new ATOM 1767 N VAL A 117 7.624 8.803 -11.274 1.00 0.33 N ATOM 1768 CA VAL A 117 7.916 7.379 -11.143 1.00 0.29 C ATOM 1769 C VAL A 117 6.672 6.610 -10.714 1.00 0.28 C ATOM 1770 O VAL A 117 6.094 6.880 -9.661 1.00 0.29 O ATOM 1771 CB VAL A 117 9.057 7.113 -10.136 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.218 5.619 -9.869 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.360 7.695 -10.648 1.00 0.53 C ATOM 0 H VAL A 117 7.991 9.385 -10.521 1.00 0.33 H new ATOM 0 HA VAL A 117 8.239 7.031 -12.124 1.00 0.29 H new ATOM 0 HB VAL A 117 8.796 7.601 -9.197 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.028 5.462 -9.157 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.291 5.221 -9.457 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.451 5.106 -10.802 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.154 7.499 -9.927 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.614 7.234 -11.602 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.250 8.771 -10.783 1.00 0.53 H new ATOM 1783 N VAL A 118 6.256 5.668 -11.547 1.00 0.27 N ATOM 1784 CA VAL A 118 5.091 4.849 -11.260 1.00 0.27 C ATOM 1785 C VAL A 118 5.503 3.524 -10.635 1.00 0.25 C ATOM 1786 O VAL A 118 6.057 2.655 -11.309 1.00 0.29 O ATOM 1787 CB VAL A 118 4.276 4.570 -12.536 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.070 3.701 -12.230 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.842 5.873 -13.174 1.00 0.86 C ATOM 0 H VAL A 118 6.713 5.452 -12.433 1.00 0.27 H new ATOM 0 HA VAL A 118 4.471 5.406 -10.557 1.00 0.27 H new ATOM 0 HB VAL A 118 4.912 4.030 -13.238 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.511 3.518 -13.148 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.403 2.751 -11.813 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.429 4.209 -11.510 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.266 5.663 -14.075 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.225 6.434 -12.472 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.722 6.461 -13.434 1.00 0.86 H new ATOM 1799 N TYR A 119 5.249 3.394 -9.345 1.00 0.22 N ATOM 1800 CA TYR A 119 5.570 2.175 -8.612 1.00 0.21 C ATOM 1801 C TYR A 119 4.382 1.224 -8.643 1.00 0.22 C ATOM 1802 O TYR A 119 3.233 1.658 -8.598 1.00 0.29 O ATOM 1803 CB TYR A 119 5.931 2.512 -7.164 1.00 0.22 C ATOM 1804 CG TYR A 119 6.036 1.314 -6.245 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.038 0.366 -6.410 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.130 1.138 -5.209 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.131 -0.725 -5.568 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.218 0.049 -4.362 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.217 -0.879 -4.545 1.00 0.34 C ATOM 1810 OH TYR A 119 6.308 -1.962 -3.701 1.00 0.43 O ATOM 0 H TYR A 119 4.818 4.123 -8.776 1.00 0.22 H new ATOM 0 HA TYR A 119 6.425 1.693 -9.085 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.882 3.044 -7.155 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.180 3.194 -6.766 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.755 0.484 -7.209 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.343 1.863 -5.062 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.915 -1.454 -5.709 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.505 -0.073 -3.560 1.00 1.22 H new ATOM 0 HH TYR A 119 7.251 -2.192 -3.564 1.00 0.43 H new ATOM 1820 N LYS A 120 4.661 -0.068 -8.745 1.00 0.21 N ATOM 1821 CA LYS A 120 3.623 -1.080 -8.779 1.00 0.23 C ATOM 1822 C LYS A 120 3.996 -2.270 -7.906 1.00 0.24 C ATOM 1823 O LYS A 120 5.162 -2.658 -7.834 1.00 0.29 O ATOM 1824 CB LYS A 120 3.403 -1.560 -10.208 1.00 0.28 C ATOM 1825 CG LYS A 120 2.599 -0.605 -11.065 1.00 0.31 C ATOM 1826 CD LYS A 120 3.331 -0.262 -12.353 1.00 0.46 C ATOM 1827 CE LYS A 120 2.401 -0.315 -13.552 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.161 -0.347 -14.827 1.00 1.17 N ATOM 0 H LYS A 120 5.609 -0.439 -8.806 1.00 0.21 H new ATOM 0 HA LYS A 120 2.706 -0.632 -8.396 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.373 -1.724 -10.678 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.894 -2.524 -10.182 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.633 -1.052 -11.302 1.00 0.31 H new ATOM 0 HG3 LYS A 120 2.399 0.308 -10.505 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.765 0.734 -12.272 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.156 -0.958 -12.500 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.766 -1.198 -13.483 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.742 0.553 -13.541 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.512 -0.553 -15.613 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.614 0.576 -14.984 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.890 -1.087 -14.778 1.00 1.17 H new ATOM 1842 N ARG A 121 3.005 -2.836 -7.235 1.00 0.25 N ATOM 1843 CA ARG A 121 3.213 -4.009 -6.399 1.00 0.28 C ATOM 1844 C ARG A 121 1.994 -4.923 -6.490 1.00 0.28 C ATOM 1845 O ARG A 121 0.871 -4.505 -6.212 1.00 0.34 O ATOM 1846 CB ARG A 121 3.499 -3.622 -4.942 1.00 0.36 C ATOM 1847 CG ARG A 121 2.471 -2.684 -4.332 1.00 0.59 C ATOM 1848 CD ARG A 121 1.854 -3.278 -3.077 1.00 0.84 C ATOM 1849 NE ARG A 121 2.805 -3.331 -1.963 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.497 -3.022 -0.700 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.256 -2.669 -0.372 1.00 1.88 N ATOM 1852 NH2 ARG A 121 3.431 -3.079 0.244 1.00 2.48 N ATOM 0 H ARG A 121 2.042 -2.500 -7.253 1.00 0.25 H new ATOM 0 HA ARG A 121 4.090 -4.542 -6.765 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.548 -4.529 -4.340 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.480 -3.151 -4.889 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.943 -1.731 -4.091 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.688 -2.476 -5.061 1.00 0.59 H new ATOM 0 HD2 ARG A 121 0.988 -2.685 -2.785 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.494 -4.284 -3.293 1.00 0.84 H new ATOM 0 HE ARG A 121 3.762 -3.622 -2.164 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.530 -2.633 -1.088 1.00 1.88 H new ATOM 0 HH12 ARG A 121 1.031 -2.435 0.595 1.00 1.88 H new ATOM 0 HH21 ARG A 121 4.382 -3.358 0.004 1.00 2.48 H new ATOM 0 HH22 ARG A 121 3.197 -2.843 1.208 1.00 2.48 H new ATOM 1866 N THR A 122 2.222 -6.155 -6.910 1.00 0.27 N ATOM 1867 CA THR A 122 1.155 -7.127 -7.059 1.00 0.27 C ATOM 1868 C THR A 122 1.175 -8.150 -5.924 1.00 0.25 C ATOM 1869 O THR A 122 2.224 -8.711 -5.591 1.00 0.29 O ATOM 1870 CB THR A 122 1.280 -7.862 -8.408 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.417 -6.913 -9.472 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.070 -8.744 -8.664 1.00 0.34 C ATOM 0 H THR A 122 3.147 -6.508 -7.156 1.00 0.27 H new ATOM 0 HA THR A 122 0.210 -6.584 -7.025 1.00 0.27 H new ATOM 0 HB THR A 122 2.166 -8.495 -8.367 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.498 -7.388 -10.325 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.185 -9.250 -9.622 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.014 -9.486 -7.870 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.830 -8.130 -8.684 1.00 0.34 H new ATOM 1880 N SER A 123 0.013 -8.387 -5.342 1.00 0.24 N ATOM 1881 CA SER A 123 -0.121 -9.336 -4.257 1.00 0.23 C ATOM 1882 C SER A 123 -1.184 -10.367 -4.605 1.00 0.23 C ATOM 1883 O SER A 123 -2.241 -10.025 -5.144 1.00 0.25 O ATOM 1884 CB SER A 123 -0.486 -8.604 -2.969 1.00 0.25 C ATOM 1885 OG SER A 123 0.357 -7.484 -2.770 1.00 0.38 O ATOM 0 H SER A 123 -0.859 -7.929 -5.608 1.00 0.24 H new ATOM 0 HA SER A 123 0.828 -9.850 -4.106 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.526 -8.279 -3.012 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.400 -9.285 -2.122 1.00 0.25 H new ATOM 0 HG SER A 123 0.105 -7.028 -1.940 1.00 0.38 H new ATOM 1891 N LYS A 124 -0.898 -11.627 -4.319 1.00 0.23 N ATOM 1892 CA LYS A 124 -1.833 -12.702 -4.611 1.00 0.25 C ATOM 1893 C LYS A 124 -2.925 -12.757 -3.544 1.00 0.22 C ATOM 1894 O LYS A 124 -2.723 -12.304 -2.419 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.097 -14.043 -4.693 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.317 -14.378 -3.437 1.00 0.31 C ATOM 1897 CD LYS A 124 0.450 -15.684 -3.579 1.00 0.43 C ATOM 1898 CE LYS A 124 1.673 -15.716 -2.676 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.900 -15.237 -3.374 1.00 1.45 N ATOM 0 H LYS A 124 -0.026 -11.931 -3.885 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.299 -12.505 -5.576 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -1.821 -14.835 -4.885 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.414 -14.023 -5.542 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.380 -13.570 -3.216 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.002 -14.449 -2.592 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.205 -16.520 -3.335 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.759 -15.814 -4.616 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.491 -15.096 -1.798 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.833 -16.734 -2.320 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.642 -15.962 -3.308 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.682 -15.055 -4.374 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 3.233 -14.359 -2.927 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.079 -13.306 -3.902 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.197 -13.409 -2.967 1.00 0.23 C ATOM 1915 C LYS A 125 -5.282 -14.809 -2.383 1.00 0.25 C ATOM 1916 O LYS A 125 -5.427 -15.791 -3.105 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.515 -13.058 -3.651 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.521 -12.384 -2.726 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.085 -13.347 -1.695 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.501 -13.771 -2.045 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.408 -12.603 -2.198 1.00 1.45 N ATOM 0 H LYS A 125 -4.267 -13.686 -4.830 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.020 -12.697 -2.160 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.312 -12.399 -4.496 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -6.959 -13.968 -4.055 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.041 -11.549 -2.216 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.337 -11.970 -3.319 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.446 -14.228 -1.630 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.078 -12.875 -0.713 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.489 -14.345 -2.971 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.886 -14.430 -1.266 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.386 -12.894 -1.998 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.126 -11.855 -1.532 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.347 -12.241 -3.171 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.193 -14.881 -1.073 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.257 -16.137 -0.352 1.00 0.28 C ATOM 1937 C ILE A 126 -6.063 -15.937 0.925 1.00 0.30 C ATOM 1938 O ILE A 126 -6.410 -14.805 1.266 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.850 -16.685 0.011 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.732 -15.947 -0.743 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.782 -18.168 -0.286 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.262 -14.684 -0.062 1.00 0.27 C ATOM 0 H ILE A 126 -5.073 -14.065 -0.473 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.735 -16.868 -1.004 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.695 -16.515 1.077 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.883 -16.620 -0.863 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.086 -15.698 -1.744 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.792 -18.546 -0.029 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.535 -18.692 0.303 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.970 -18.336 -1.346 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.473 -14.222 -0.656 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.097 -13.990 0.034 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.876 -14.927 0.928 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.440 -17.023 1.582 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.176 -16.931 2.832 1.00 0.44 C ATOM 1956 C ALA A 127 -6.620 -17.938 3.825 1.00 0.67 C ATOM 1957 O ALA A 127 -6.625 -19.146 3.506 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.671 -17.140 2.618 1.00 0.46 C ATOM 0 H ALA A 127 -6.249 -17.975 1.271 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.050 -15.926 3.236 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.189 -17.064 3.574 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.051 -16.378 1.938 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.843 -18.127 2.189 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.245 -0.047 -0.387 1.00 0.35 C HETATM 1966 C2 CHO A 200 4.846 -0.142 0.225 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.098 1.181 0.055 1.00 0.45 C HETATM 1968 O3 CHO A 200 2.812 1.075 0.672 1.00 0.51 O HETATM 1969 C4 CHO A 200 4.889 2.302 0.734 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.289 2.399 0.124 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.052 3.542 0.797 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.257 3.220 2.278 1.00 0.33 C HETATM 1973 O7 CHO A 200 5.986 3.122 2.928 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.008 1.899 2.441 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.231 0.767 1.761 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.045 1.077 0.275 1.00 0.31 C HETATM 1977 C11 CHO A 200 7.936 -0.577 1.963 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.152 -0.878 3.448 1.00 0.23 C HETATM 1979 C13 CHO A 200 8.965 0.263 4.062 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.181 1.564 3.922 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.092 2.518 4.696 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.498 1.684 5.916 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.073 0.251 5.586 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.342 0.392 3.407 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.411 1.192 -0.406 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.066 -0.791 6.107 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.596 -2.204 5.759 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.240 -0.648 7.620 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.242 -1.680 8.145 1.00 0.41 C HETATM 1990 C24 CHO A 200 11.516 -1.478 9.636 1.00 0.54 C HETATM 1991 O24 CHO A 200 11.904 -0.394 10.069 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.313 -2.554 10.394 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.534 -2.537 11.847 1.00 0.58 C HETATM 1994 C27 CHO A 200 11.117 -3.879 12.450 1.00 1.20 C HETATM 1995 OT1 CHO A 200 10.121 -3.880 13.205 1.00 2.01 O HETATM 1996 OT2 CHO A 200 11.809 -4.875 12.154 1.00 1.99 O HETATM 0 H262 CHO A 200 12.585 -2.342 12.062 1.00 0.58 H new HETATM 0 H261 CHO A 200 10.960 -1.729 12.302 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.855 -2.685 7.977 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.175 -1.601 7.587 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.586 0.358 7.859 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.279 -0.780 8.117 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.622 -2.386 6.214 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.515 -2.304 4.677 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.315 -2.930 6.138 1.00 0.31 H new HETATM 0 H193 CHO A 200 8.950 0.250 -0.302 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.273 1.416 -1.464 1.00 0.32 H new HETATM 0 H191 CHO A 200 8.985 1.992 0.062 1.00 0.32 H new HETATM 0 H183 CHO A 200 10.897 -0.536 3.542 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.221 0.591 2.342 1.00 0.22 H new HETATM 0 H181 CHO A 200 10.890 1.213 3.870 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.572 1.745 6.094 1.00 0.24 H new HETATM 0 H161 CHO A 200 9.004 2.042 6.819 1.00 0.24 H new HETATM 0 H152 CHO A 200 9.957 2.819 4.106 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.570 3.430 4.985 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.194 -0.977 3.958 1.00 0.23 H new HETATM 0 H121 CHO A 200 8.677 -1.825 3.570 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.342 -1.372 1.512 1.00 0.25 H new HETATM 0 H111 CHO A 200 8.897 -0.566 1.449 1.00 0.25 H new HETATM 0 HOT CHO A 200 11.453 -5.667 12.608 1.00 1.99 H new HETATM 0 HO7 CHO A 200 5.963 3.731 3.696 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.328 1.921 0.568 1.00 0.51 H new HETATM 0 HN CHO A 200 10.994 -3.417 9.953 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.246 0.693 2.222 1.00 0.27 H new HETATM 0 H8 CHO A 200 8.989 2.003 1.977 1.00 0.25 H new HETATM 0 H7 CHO A 200 7.845 4.020 2.729 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.016 3.686 0.309 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.498 4.475 0.691 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.201 2.604 -0.943 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.365 3.251 0.616 1.00 0.41 H new HETATM 0 H41 CHO A 200 4.962 2.110 1.804 1.00 0.41 H new HETATM 0 H3 CHO A 200 3.983 1.404 -1.006 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.287 -0.947 -0.253 1.00 0.40 H new HETATM 0 H21 CHO A 200 4.921 -0.391 1.284 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.029 -0.620 5.626 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.139 -0.037 6.068 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.160 1.574 4.303 1.00 0.23 H new HETATM 0 H12 CHO A 200 6.768 -0.995 -0.263 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.168 0.136 -1.459 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.419 4.490 0.054 1.00 0.22 C HETATM 2040 C2 CHO A 201 -5.239 3.277 -0.862 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.715 2.003 -0.160 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.510 0.886 -1.030 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.907 1.803 1.124 1.00 0.29 C HETATM 2044 C5 CHO A 201 -5.091 3.015 2.042 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.326 2.793 3.349 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.820 2.756 3.070 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.520 1.633 2.238 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.372 4.038 2.370 1.00 0.21 C HETATM 2049 C9 CHO A 201 -3.137 4.219 1.055 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.634 4.302 1.354 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.667 5.477 0.318 1.00 0.21 C HETATM 2052 C12 CHO A 201 -1.149 5.496 0.111 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.477 5.348 1.475 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.875 4.000 2.065 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.039 3.990 3.290 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.380 4.262 2.605 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.048 5.213 1.448 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.904 6.471 2.423 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.891 5.489 2.284 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.719 6.575 1.625 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.308 7.541 0.513 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.242 6.431 1.675 1.00 0.28 C HETATM 2063 C23 CHO A 201 3.902 7.791 1.918 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.421 7.665 2.046 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.157 8.608 1.759 1.00 0.67 O HETATM 2066 N25 CHO A 201 5.859 6.488 2.486 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.289 6.202 2.669 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.572 5.953 4.153 1.00 0.50 C HETATM 2069 OT1 CHO A 201 8.357 6.742 4.722 1.00 1.23 O HETATM 2070 OT2 CHO A 201 6.998 4.981 4.691 1.00 1.08 O HETATM 0 H262 CHO A 201 7.575 5.329 2.082 1.00 0.33 H new HETATM 0 H261 CHO A 201 7.888 7.039 2.309 1.00 0.33 H new HETATM 0 H232 CHO A 201 3.660 8.465 1.096 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.495 8.236 2.826 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.522 5.738 2.468 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.604 6.007 0.738 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.603 7.131 -0.453 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.227 7.680 0.533 1.00 0.27 H new HETATM 0 H211 CHO A 201 1.801 8.501 0.665 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.569 6.409 1.797 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.956 5.551 2.509 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.331 5.354 3.210 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.621 7.434 1.997 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.985 6.439 2.561 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.411 6.341 3.386 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.092 4.714 3.296 1.00 0.27 H new HETATM 0 H161 CHO A 201 1.832 3.339 2.241 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.225 4.759 4.016 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.023 3.036 3.817 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.846 4.685 -0.552 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.842 6.428 -0.364 1.00 0.22 H new HETATM 0 H112 CHO A 201 -3.164 5.535 -0.650 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.966 6.360 0.884 1.00 0.21 H new HETATM 0 HOT CHO A 201 7.477 4.730 5.508 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -2.998 0.844 2.569 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -5.407 0.070 -0.496 1.00 0.35 H new HETATM 0 HN CHO A 201 5.179 5.759 2.704 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.942 3.364 0.408 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.581 4.872 3.040 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.290 2.670 4.018 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.555 3.591 4.055 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.642 1.858 3.812 1.00 0.28 H new HETATM 0 H5 CHO A 201 -6.152 3.124 2.268 1.00 0.25 H new HETATM 0 H42 CHO A 201 -5.233 0.896 1.633 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.852 1.672 0.885 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.774 2.088 0.085 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.801 3.423 -1.784 1.00 0.26 H new HETATM 0 H21 CHO A 201 -4.190 3.176 -1.141 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.382 6.989 2.575 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.413 4.828 0.496 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.755 3.104 1.456 1.00 0.23 H new HETATM 0 H12 CHO A 201 -5.079 5.391 -0.456 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.477 4.630 0.278 1.00 0.22 H new