USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN : amide:sc= 0.431 K(o=1.1,f=2.5) USER MOD Set 1.2: A 59 TYR OH : rot 101:sc= 0.709 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0.0709 USER MOD Set 2.2: A 34 GLN : amide:sc= -0.102 X(o=-0.031,f=0.011) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.032) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.0594 (180deg=-0.277) USER MOD Single : A 2 GLN : amide:sc= -0.0624 K(o=-0.062,f=-2.2!) USER MOD Single : A 7 SER OG : rot 114:sc= 1.14 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.44) USER MOD Single : A 10 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.263 (180deg=-0.727) USER MOD Single : A 21 THR OG1 : rot -6:sc= 0.17 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -1.47 USER MOD Single : A 29 GLN : amide:sc= -2.77 K(o=-2.8,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.196 K(o=0.2,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -31:sc= 0.464 USER MOD Single : A 51 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2!) USER MOD Single : A 52 HIS : no HD1:sc= -4.15 X(o=-4.1,f=-4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 54 ASN : amide:sc= -0.435 K(o=-0.43,f=-3.1!) USER MOD Single : A 61 GLN : amide:sc= -4.48! C(o=-4.5!,f=-5!) USER MOD Single : A 62 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1.3!) USER MOD Single : A 64 THR OG1 : rot -83:sc= 0.421! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -120:sc= -0.351 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.78! C(o=-2.8!,f=-2.9!) USER MOD Single : A 90 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.36) USER MOD Single : A 91 SER OG : rot 98:sc= 0.836 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.82) USER MOD Single : A 105 GLN : amide:sc= -0.0695 K(o=-0.069,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.303 45.980 6.215 1.00 18.33 N ATOM 2 CA ALA A 1 16.270 45.126 5.468 1.00 16.52 C ATOM 3 C ALA A 1 15.563 44.482 4.272 1.00 15.03 C ATOM 4 O ALA A 1 14.355 44.364 4.243 1.00 16.00 O ATOM 5 CB ALA A 1 16.807 44.033 6.394 1.00 17.21 C ATOM 0 H1 ALA A 1 15.651 46.960 6.239 1.00 18.33 H new ATOM 0 H2 ALA A 1 14.378 45.953 5.741 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.204 45.624 7.187 1.00 18.33 H new ATOM 0 HA ALA A 1 17.098 45.739 5.113 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.514 43.408 5.848 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.310 44.492 7.245 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.980 43.419 6.750 1.00 17.21 H new ATOM 13 N GLN A 2 16.310 44.063 3.288 1.00 14.70 N ATOM 14 CA GLN A 2 15.686 43.425 2.093 1.00 14.58 C ATOM 15 C GLN A 2 16.774 42.730 1.271 1.00 12.38 C ATOM 16 O GLN A 2 16.998 41.542 1.397 1.00 12.11 O ATOM 17 CB GLN A 2 15.005 44.495 1.238 1.00 17.38 C ATOM 18 CG GLN A 2 14.421 43.850 -0.020 1.00 22.60 C ATOM 19 CD GLN A 2 13.442 44.820 -0.685 1.00 24.11 C ATOM 20 OE1 GLN A 2 13.003 45.773 -0.073 1.00 29.77 O ATOM 21 NE2 GLN A 2 13.081 44.616 -1.922 1.00 23.75 N ATOM 0 H GLN A 2 17.327 44.135 3.259 1.00 14.70 H new ATOM 0 HA GLN A 2 14.943 42.694 2.413 1.00 14.58 H new ATOM 0 HB2 GLN A 2 14.215 44.983 1.809 1.00 17.38 H new ATOM 0 HB3 GLN A 2 15.723 45.267 0.963 1.00 17.38 H new ATOM 0 HG2 GLN A 2 15.221 43.592 -0.714 1.00 22.60 H new ATOM 0 HG3 GLN A 2 13.911 42.922 0.238 1.00 22.60 H new ATOM 0 HE21 GLN A 2 13.450 43.816 -2.436 1.00 23.75 H new ATOM 0 HE22 GLN A 2 12.430 45.257 -2.376 1.00 23.75 H new ATOM 30 N GLU A 3 17.456 43.463 0.436 1.00 0.00 N ATOM 31 CA GLU A 3 18.535 42.849 -0.386 1.00 0.00 C ATOM 32 C GLU A 3 19.582 42.228 0.543 1.00 0.00 C ATOM 33 O GLU A 3 20.502 41.564 0.108 1.00 0.00 O ATOM 34 CB GLU A 3 19.192 43.927 -1.251 1.00 0.00 C ATOM 35 CG GLU A 3 19.625 45.100 -0.369 1.00 0.00 C ATOM 36 CD GLU A 3 20.150 46.236 -1.249 1.00 0.00 C ATOM 37 OE1 GLU A 3 21.021 45.975 -2.062 1.00 0.00 O ATOM 38 OE2 GLU A 3 19.672 47.348 -1.095 1.00 0.00 O ATOM 0 H GLU A 3 17.312 44.462 0.287 1.00 0.00 H new ATOM 0 HA GLU A 3 18.114 42.077 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.055 43.513 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.494 44.271 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.783 45.449 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.399 44.778 0.328 1.00 0.00 H new ATOM 45 N PHE A 4 19.449 42.450 1.822 1.00 11.75 N ATOM 46 CA PHE A 4 20.431 41.891 2.793 1.00 10.29 C ATOM 47 C PHE A 4 20.415 40.359 2.757 1.00 10.97 C ATOM 48 O PHE A 4 21.371 39.732 2.348 1.00 7.53 O ATOM 49 CB PHE A 4 20.065 42.374 4.202 1.00 11.72 C ATOM 50 CG PHE A 4 20.966 43.519 4.613 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.101 44.640 3.784 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.664 43.460 5.827 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.931 45.701 4.169 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.494 44.520 6.211 1.00 19.72 C ATOM 55 CZ PHE A 4 22.628 45.640 5.382 1.00 20.03 C ATOM 0 H PHE A 4 18.697 42.999 2.238 1.00 11.75 H new ATOM 0 HA PHE A 4 21.431 42.232 2.525 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.024 42.695 4.225 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.161 41.553 4.912 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.565 44.686 2.848 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.561 42.596 6.467 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.033 46.566 3.530 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.031 44.474 7.147 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.269 46.457 5.678 1.00 20.03 H new ATOM 65 N VAL A 5 19.349 39.753 3.205 1.00 10.96 N ATOM 66 CA VAL A 5 19.291 38.262 3.222 1.00 12.03 C ATOM 67 C VAL A 5 19.111 37.718 1.803 1.00 12.91 C ATOM 68 O VAL A 5 19.675 36.704 1.445 1.00 10.57 O ATOM 69 CB VAL A 5 18.115 37.810 4.094 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.059 38.668 5.360 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.805 37.970 3.318 1.00 9.23 C ATOM 0 H VAL A 5 18.517 40.224 3.560 1.00 10.96 H new ATOM 0 HA VAL A 5 20.226 37.877 3.630 1.00 12.03 H new ATOM 0 HB VAL A 5 18.251 36.763 4.365 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.222 38.347 5.981 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.989 38.555 5.918 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.926 39.714 5.085 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.971 37.648 3.941 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.670 39.016 3.044 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.840 37.360 2.415 1.00 9.23 H new ATOM 81 N ASN A 6 18.328 38.372 0.994 1.00 13.95 N ATOM 82 CA ASN A 6 18.118 37.875 -0.389 1.00 13.93 C ATOM 83 C ASN A 6 19.472 37.712 -1.084 1.00 14.98 C ATOM 84 O ASN A 6 19.682 36.787 -1.842 1.00 13.88 O ATOM 85 CB ASN A 6 17.264 38.881 -1.157 1.00 19.23 C ATOM 86 CG ASN A 6 15.850 38.901 -0.575 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.445 39.871 0.036 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.078 37.864 -0.741 1.00 26.59 N ATOM 0 H ASN A 6 17.826 39.228 1.231 1.00 13.95 H new ATOM 0 HA ASN A 6 17.611 36.911 -0.361 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.709 39.874 -1.094 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.230 38.614 -2.213 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.133 37.865 -0.358 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.419 37.051 -1.254 1.00 26.59 H new ATOM 95 N SER A 7 20.393 38.603 -0.833 1.00 0.00 N ATOM 96 CA SER A 7 21.730 38.494 -1.482 1.00 0.00 C ATOM 97 C SER A 7 22.544 37.379 -0.819 1.00 0.00 C ATOM 98 O SER A 7 23.574 36.972 -1.318 1.00 0.00 O ATOM 99 CB SER A 7 22.474 39.822 -1.334 1.00 0.00 C ATOM 100 OG SER A 7 21.694 40.863 -1.904 1.00 0.00 O ATOM 0 H SER A 7 20.277 39.400 -0.207 1.00 0.00 H new ATOM 0 HA SER A 7 21.598 38.260 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.665 40.030 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.444 39.766 -1.829 1.00 0.00 H new ATOM 0 HG SER A 7 21.399 41.475 -1.198 1.00 0.00 H new ATOM 106 N LYS A 8 22.104 36.894 0.311 1.00 13.50 N ATOM 107 CA LYS A 8 22.871 35.821 1.013 1.00 11.83 C ATOM 108 C LYS A 8 22.296 34.438 0.689 1.00 12.94 C ATOM 109 O LYS A 8 23.026 33.511 0.401 1.00 11.22 O ATOM 110 CB LYS A 8 22.797 36.062 2.520 1.00 13.35 C ATOM 111 CG LYS A 8 23.506 37.377 2.857 1.00 9.72 C ATOM 112 CD LYS A 8 23.326 37.694 4.343 1.00 17.72 C ATOM 113 CE LYS A 8 23.652 39.167 4.598 1.00 15.70 C ATOM 114 NZ LYS A 8 24.986 39.488 4.016 1.00 22.87 N ATOM 0 H LYS A 8 21.248 37.193 0.779 1.00 13.50 H new ATOM 0 HA LYS A 8 23.907 35.850 0.676 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.757 36.103 2.843 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.264 35.236 3.056 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.567 37.301 2.617 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.099 38.186 2.251 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.302 37.480 4.649 1.00 17.72 H new ATOM 0 HD3 LYS A 8 23.978 37.058 4.942 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.886 39.802 4.153 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.652 39.371 5.669 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.360 40.351 4.460 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.640 38.698 4.189 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.890 39.640 2.992 1.00 22.87 H new ATOM 128 N ILE A 9 21.000 34.279 0.742 1.00 11.05 N ATOM 129 CA ILE A 9 20.409 32.940 0.446 1.00 13.61 C ATOM 130 C ILE A 9 20.360 32.715 -1.067 1.00 12.23 C ATOM 131 O ILE A 9 19.988 33.588 -1.828 1.00 12.72 O ATOM 132 CB ILE A 9 18.993 32.858 1.023 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.158 34.013 0.461 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.059 32.937 2.553 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.088 34.446 1.469 1.00 25.19 C ATOM 0 H ILE A 9 20.329 35.011 0.975 1.00 11.05 H new ATOM 0 HA ILE A 9 21.030 32.170 0.904 1.00 13.61 H new ATOM 0 HB ILE A 9 18.528 31.913 0.743 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.807 34.857 0.226 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.684 33.706 -0.471 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.051 32.879 2.964 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.655 32.108 2.935 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.518 33.880 2.849 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.506 35.267 1.051 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.428 33.605 1.683 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.568 34.774 2.391 1.00 25.19 H new ATOM 147 N GLN A 10 20.735 31.542 -1.502 1.00 11.13 N ATOM 148 CA GLN A 10 20.721 31.230 -2.959 1.00 10.86 C ATOM 149 C GLN A 10 20.383 29.740 -3.143 1.00 10.00 C ATOM 150 O GLN A 10 20.651 28.946 -2.265 1.00 10.42 O ATOM 151 CB GLN A 10 22.107 31.518 -3.555 1.00 14.27 C ATOM 152 CG GLN A 10 22.200 32.988 -3.972 1.00 22.05 C ATOM 153 CD GLN A 10 21.294 33.237 -5.179 1.00 30.84 C ATOM 154 OE1 GLN A 10 21.694 33.026 -6.307 1.00 32.99 O ATOM 155 NE2 GLN A 10 20.082 33.681 -4.989 1.00 34.61 N ATOM 0 H GLN A 10 21.053 30.780 -0.904 1.00 11.13 H new ATOM 0 HA GLN A 10 19.976 31.845 -3.465 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.882 31.289 -2.823 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.282 30.875 -4.417 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.904 33.631 -3.143 1.00 22.05 H new ATOM 0 HG3 GLN A 10 23.231 33.242 -4.220 1.00 22.05 H new ATOM 0 HE21 GLN A 10 19.746 33.858 -4.042 1.00 34.61 H new ATOM 0 HE22 GLN A 10 19.470 33.851 -5.787 1.00 34.61 H new ATOM 164 N PRO A 11 19.807 29.397 -4.274 1.00 6.53 N ATOM 165 CA PRO A 11 19.436 28.000 -4.560 1.00 7.75 C ATOM 166 C PRO A 11 20.670 27.097 -4.489 1.00 6.33 C ATOM 167 O PRO A 11 21.702 27.387 -5.061 1.00 9.49 O ATOM 168 CB PRO A 11 18.854 28.024 -5.982 1.00 8.32 C ATOM 169 CG PRO A 11 18.856 29.498 -6.461 1.00 7.94 C ATOM 170 CD PRO A 11 19.482 30.353 -5.348 1.00 11.72 C ATOM 0 HA PRO A 11 18.720 27.606 -3.838 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.450 27.403 -6.651 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.842 27.620 -5.989 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.425 29.598 -7.385 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.840 29.832 -6.674 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.375 30.869 -5.701 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.788 31.118 -5.000 1.00 11.72 H new ATOM 178 N GLY A 12 20.565 26.002 -3.792 1.00 5.64 N ATOM 179 CA GLY A 12 21.721 25.074 -3.681 1.00 8.39 C ATOM 180 C GLY A 12 22.787 25.686 -2.771 1.00 7.67 C ATOM 181 O GLY A 12 23.960 25.396 -2.895 1.00 10.24 O ATOM 0 H GLY A 12 19.725 25.709 -3.293 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.393 24.115 -3.279 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.140 24.879 -4.668 1.00 8.39 H new ATOM 185 N LYS A 13 22.390 26.532 -1.857 1.00 9.66 N ATOM 186 CA LYS A 13 23.382 27.164 -0.938 1.00 10.29 C ATOM 187 C LYS A 13 22.799 27.223 0.474 1.00 10.20 C ATOM 188 O LYS A 13 21.653 27.582 0.664 1.00 6.89 O ATOM 189 CB LYS A 13 23.688 28.583 -1.422 1.00 9.77 C ATOM 190 CG LYS A 13 24.889 29.137 -0.654 1.00 10.63 C ATOM 191 CD LYS A 13 25.123 30.595 -1.051 1.00 12.04 C ATOM 192 CE LYS A 13 26.445 31.079 -0.454 1.00 19.12 C ATOM 193 NZ LYS A 13 26.643 30.454 0.886 1.00 25.36 N ATOM 0 H LYS A 13 21.421 26.813 -1.707 1.00 9.66 H new ATOM 0 HA LYS A 13 24.299 26.576 -0.929 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.899 28.576 -2.491 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.820 29.225 -1.272 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.712 29.066 0.419 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.777 28.543 -0.870 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.146 30.688 -2.137 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.301 31.217 -0.695 1.00 12.04 H new ATOM 0 HE2 LYS A 13 27.272 30.818 -1.115 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.440 32.165 -0.363 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 27.318 31.021 1.437 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 25.733 30.414 1.388 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.016 29.490 0.768 1.00 25.36 H new ATOM 207 N VAL A 14 23.575 26.873 1.467 1.00 10.89 N ATOM 208 CA VAL A 14 23.061 26.908 2.862 1.00 9.99 C ATOM 209 C VAL A 14 23.595 28.146 3.583 1.00 5.01 C ATOM 210 O VAL A 14 24.762 28.473 3.501 1.00 6.68 O ATOM 211 CB VAL A 14 23.515 25.652 3.605 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.968 25.681 5.032 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.981 24.413 2.883 1.00 5.86 C ATOM 0 H VAL A 14 24.542 26.565 1.369 1.00 10.89 H new ATOM 0 HA VAL A 14 21.972 26.947 2.840 1.00 9.99 H new ATOM 0 HB VAL A 14 24.604 25.618 3.631 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.291 24.786 5.564 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.344 26.565 5.548 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.879 25.713 5.004 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.304 23.516 3.412 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.892 24.447 2.859 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.366 24.392 1.864 1.00 5.86 H new ATOM 223 N VAL A 15 22.748 28.829 4.300 1.00 3.11 N ATOM 224 CA VAL A 15 23.191 30.041 5.047 1.00 10.10 C ATOM 225 C VAL A 15 22.446 30.067 6.382 1.00 9.35 C ATOM 226 O VAL A 15 21.289 29.703 6.457 1.00 11.00 O ATOM 227 CB VAL A 15 22.881 31.303 4.212 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.794 32.153 4.884 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.150 32.148 4.065 1.00 10.96 C ATOM 0 H VAL A 15 21.760 28.599 4.402 1.00 3.11 H new ATOM 0 HA VAL A 15 24.265 30.018 5.231 1.00 10.10 H new ATOM 0 HB VAL A 15 22.525 30.983 3.233 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.594 33.035 4.276 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.881 31.565 4.981 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.133 32.463 5.872 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.928 33.038 3.475 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.505 32.446 5.052 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.921 31.563 3.563 1.00 10.96 H new ATOM 239 N VAL A 16 23.098 30.471 7.438 1.00 8.87 N ATOM 240 CA VAL A 16 22.422 30.490 8.764 1.00 5.41 C ATOM 241 C VAL A 16 22.516 31.873 9.404 1.00 6.62 C ATOM 242 O VAL A 16 23.588 32.406 9.609 1.00 8.94 O ATOM 243 CB VAL A 16 23.096 29.475 9.685 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.295 29.355 10.981 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.147 28.111 8.998 1.00 5.31 C ATOM 0 H VAL A 16 24.068 30.788 7.439 1.00 8.87 H new ATOM 0 HA VAL A 16 21.371 30.239 8.620 1.00 5.41 H new ATOM 0 HB VAL A 16 24.110 29.808 9.907 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.775 28.631 11.639 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.256 30.325 11.476 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.282 29.023 10.753 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.628 27.389 9.658 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.133 27.778 8.774 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.716 28.191 8.071 1.00 5.31 H new ATOM 255 N PHE A 17 21.395 32.441 9.758 1.00 5.51 N ATOM 256 CA PHE A 17 21.408 33.768 10.426 1.00 5.80 C ATOM 257 C PHE A 17 21.488 33.520 11.931 1.00 7.23 C ATOM 258 O PHE A 17 20.690 32.794 12.489 1.00 5.39 O ATOM 259 CB PHE A 17 20.127 34.523 10.073 1.00 5.73 C ATOM 260 CG PHE A 17 20.177 34.914 8.615 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.853 33.975 7.628 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.555 36.211 8.249 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.908 34.334 6.277 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.611 36.569 6.898 1.00 5.88 C ATOM 265 CZ PHE A 17 20.286 35.631 5.911 1.00 5.73 C ATOM 0 H PHE A 17 20.469 32.039 9.612 1.00 5.51 H new ATOM 0 HA PHE A 17 22.257 34.368 10.100 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.255 33.898 10.266 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.028 35.410 10.698 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.561 32.974 7.910 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.804 36.936 9.010 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.659 33.610 5.516 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.905 37.569 6.616 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.327 35.908 4.868 1.00 5.73 H new ATOM 275 N ILE A 18 22.473 34.072 12.586 1.00 8.64 N ATOM 276 CA ILE A 18 22.632 33.817 14.048 1.00 6.83 C ATOM 277 C ILE A 18 22.887 35.111 14.809 1.00 10.62 C ATOM 278 O ILE A 18 22.899 36.193 14.259 1.00 6.74 O ATOM 279 CB ILE A 18 23.834 32.889 14.243 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.077 33.522 13.604 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.557 31.534 13.574 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.320 32.735 14.022 1.00 8.36 C ATOM 0 H ILE A 18 23.174 34.688 12.174 1.00 8.64 H new ATOM 0 HA ILE A 18 21.715 33.368 14.430 1.00 6.83 H new ATOM 0 HB ILE A 18 24.003 32.740 15.309 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.981 33.522 12.518 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.170 34.562 13.916 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.415 30.876 13.715 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.674 31.080 14.024 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.385 31.683 12.508 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.204 33.183 13.569 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.417 32.758 15.107 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.226 31.702 13.688 1.00 8.36 H new ATOM 294 N LYS A 19 23.119 34.978 16.081 1.00 12.12 N ATOM 295 CA LYS A 19 23.413 36.150 16.943 1.00 15.62 C ATOM 296 C LYS A 19 24.429 35.675 17.991 1.00 16.36 C ATOM 297 O LYS A 19 24.042 35.122 19.001 1.00 13.35 O ATOM 298 CB LYS A 19 22.127 36.620 17.648 1.00 18.25 C ATOM 299 CG LYS A 19 21.343 37.595 16.743 1.00 25.24 C ATOM 300 CD LYS A 19 20.725 38.718 17.586 1.00 30.64 C ATOM 301 CE LYS A 19 19.620 38.147 18.475 1.00 31.75 C ATOM 302 NZ LYS A 19 18.832 39.263 19.070 1.00 38.73 N ATOM 0 H LYS A 19 23.117 34.083 16.571 1.00 12.12 H new ATOM 0 HA LYS A 19 23.802 36.982 16.356 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.504 35.760 17.893 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.379 37.109 18.589 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.008 38.019 15.990 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.559 37.057 16.209 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.492 39.189 18.200 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.318 39.492 16.936 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.967 37.499 17.890 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.055 37.534 19.264 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.070 38.873 19.661 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.456 39.855 19.655 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.419 39.841 18.310 1.00 38.73 H new ATOM 316 N PRO A 20 25.700 35.862 17.710 1.00 17.46 N ATOM 317 CA PRO A 20 26.766 35.408 18.615 1.00 20.12 C ATOM 318 C PRO A 20 26.463 35.809 20.059 1.00 24.12 C ATOM 319 O PRO A 20 26.983 36.775 20.578 1.00 24.58 O ATOM 320 CB PRO A 20 28.041 36.071 18.082 1.00 20.63 C ATOM 321 CG PRO A 20 27.702 36.667 16.691 1.00 18.08 C ATOM 322 CD PRO A 20 26.180 36.548 16.493 1.00 17.14 C ATOM 0 HA PRO A 20 26.865 34.323 18.635 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.382 36.852 18.762 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.848 35.343 18.002 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.015 37.709 16.634 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.234 36.131 15.905 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.717 37.528 16.381 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.940 35.978 15.595 1.00 17.14 H new ATOM 330 N THR A 21 25.621 35.050 20.705 1.00 24.78 N ATOM 331 CA THR A 21 25.258 35.341 22.116 1.00 27.36 C ATOM 332 C THR A 21 24.350 34.221 22.633 1.00 24.99 C ATOM 333 O THR A 21 24.436 33.821 23.777 1.00 26.49 O ATOM 334 CB THR A 21 24.514 36.680 22.194 1.00 28.64 C ATOM 335 OG1 THR A 21 25.411 37.742 21.905 1.00 30.99 O ATOM 336 CG2 THR A 21 23.937 36.872 23.599 1.00 34.82 C ATOM 0 H THR A 21 25.164 34.230 20.307 1.00 24.78 H new ATOM 0 HA THR A 21 26.161 35.400 22.724 1.00 27.36 H new ATOM 0 HB THR A 21 23.702 36.680 21.466 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.321 37.388 21.820 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.410 37.825 23.649 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.243 36.061 23.821 1.00 34.82 H new ATOM 0 HG23 THR A 21 24.747 36.867 24.329 1.00 34.82 H new ATOM 344 N CYS A 22 23.476 33.713 21.798 1.00 21.46 N ATOM 345 CA CYS A 22 22.560 32.622 22.247 1.00 17.23 C ATOM 346 C CYS A 22 23.107 31.253 21.793 1.00 14.71 C ATOM 347 O CYS A 22 23.429 31.085 20.632 1.00 13.71 O ATOM 348 CB CYS A 22 21.171 32.857 21.648 1.00 15.71 C ATOM 349 SG CYS A 22 19.919 32.349 22.855 1.00 9.78 S ATOM 0 H CYS A 22 23.359 34.007 20.828 1.00 21.46 H new ATOM 0 HA CYS A 22 22.493 32.626 23.335 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.044 33.909 21.393 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.057 32.289 20.725 1.00 15.71 H new ATOM 354 N PRO A 23 23.210 30.312 22.716 1.00 13.86 N ATOM 355 CA PRO A 23 23.729 28.963 22.405 1.00 13.47 C ATOM 356 C PRO A 23 22.858 28.231 21.376 1.00 8.59 C ATOM 357 O PRO A 23 23.268 27.237 20.812 1.00 10.79 O ATOM 358 CB PRO A 23 23.712 28.211 23.737 1.00 11.94 C ATOM 359 CG PRO A 23 23.221 29.190 24.824 1.00 7.24 C ATOM 360 CD PRO A 23 22.832 30.507 24.131 1.00 12.58 C ATOM 0 HA PRO A 23 24.725 29.023 21.966 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.054 27.344 23.678 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.708 27.839 23.979 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.367 28.772 25.357 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.003 29.364 25.563 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.765 30.708 24.232 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.359 31.355 24.568 1.00 12.58 H new ATOM 368 N TYR A 24 21.668 28.697 21.120 1.00 0.00 N ATOM 369 CA TYR A 24 20.813 27.993 20.121 1.00 0.00 C ATOM 370 C TYR A 24 21.417 28.183 18.734 1.00 0.00 C ATOM 371 O TYR A 24 21.544 27.250 17.967 1.00 0.00 O ATOM 372 CB TYR A 24 19.390 28.559 20.156 1.00 0.00 C ATOM 373 CG TYR A 24 18.595 27.844 21.221 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.768 28.174 22.569 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.690 26.840 20.853 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.035 27.499 23.552 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.956 26.167 21.836 1.00 0.00 C ATOM 378 CZ TYR A 24 17.129 26.496 23.185 1.00 0.00 C ATOM 379 OH TYR A 24 16.410 25.828 24.154 1.00 0.00 O ATOM 0 H TYR A 24 21.253 29.523 21.552 1.00 0.00 H new ATOM 0 HA TYR A 24 20.769 26.930 20.360 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.417 29.629 20.363 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.913 28.434 19.184 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.466 28.948 22.851 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.559 26.586 19.812 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.168 27.752 24.594 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.256 25.394 21.554 1.00 0.00 H new ATOM 0 HH TYR A 24 15.827 25.165 23.730 1.00 0.00 H new ATOM 389 N SER A 25 21.807 29.378 18.414 1.00 0.00 N ATOM 390 CA SER A 25 22.426 29.623 17.085 1.00 0.00 C ATOM 391 C SER A 25 23.779 28.904 17.026 1.00 0.00 C ATOM 392 O SER A 25 24.231 28.486 15.980 1.00 0.00 O ATOM 393 CB SER A 25 22.636 31.127 16.905 1.00 0.00 C ATOM 394 OG SER A 25 21.875 31.823 17.881 1.00 0.00 O ATOM 0 H SER A 25 21.725 30.199 19.014 1.00 0.00 H new ATOM 0 HA SER A 25 21.778 29.247 16.293 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.693 31.374 17.006 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.332 31.432 15.904 1.00 0.00 H new ATOM 0 HG SER A 25 22.234 32.728 17.991 1.00 0.00 H new ATOM 400 N ARG A 26 24.425 28.771 18.149 1.00 16.21 N ATOM 401 CA ARG A 26 25.755 28.091 18.186 1.00 15.67 C ATOM 402 C ARG A 26 25.611 26.616 17.790 1.00 13.70 C ATOM 403 O ARG A 26 26.265 26.151 16.879 1.00 12.41 O ATOM 404 CB ARG A 26 26.331 28.199 19.605 1.00 22.04 C ATOM 405 CG ARG A 26 27.727 27.564 19.665 1.00 31.64 C ATOM 406 CD ARG A 26 28.686 28.305 18.719 1.00 43.08 C ATOM 407 NE ARG A 26 30.038 28.446 19.354 1.00 52.93 N ATOM 408 CZ ARG A 26 30.183 28.967 20.545 1.00 57.80 C ATOM 409 NH1 ARG A 26 29.151 29.446 21.187 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.370 29.029 21.085 1.00 59.59 N ATOM 0 H ARG A 26 24.089 29.106 19.052 1.00 16.21 H new ATOM 0 HA ARG A 26 26.428 28.573 17.477 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.388 29.246 19.903 1.00 22.04 H new ATOM 0 HB3 ARG A 26 25.668 27.702 20.313 1.00 22.04 H new ATOM 0 HG2 ARG A 26 28.109 27.602 20.685 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.669 26.512 19.386 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.773 27.760 17.779 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.284 29.290 18.481 1.00 43.08 H new ATOM 0 HE ARG A 26 30.863 28.128 18.845 1.00 52.93 H new ATOM 0 HH11 ARG A 26 28.225 29.415 20.760 1.00 58.61 H new ATOM 0 HH12 ARG A 26 29.271 29.851 22.115 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.180 28.672 20.578 1.00 59.59 H new ATOM 0 HH22 ARG A 26 31.487 29.435 22.014 1.00 59.59 H new ATOM 424 N ARG A 27 24.775 25.865 18.459 1.00 0.00 N ATOM 425 CA ARG A 27 24.635 24.427 18.086 1.00 0.00 C ATOM 426 C ARG A 27 24.404 24.321 16.579 1.00 0.00 C ATOM 427 O ARG A 27 24.882 23.411 15.932 1.00 0.00 O ATOM 428 CB ARG A 27 23.462 23.791 18.837 1.00 0.00 C ATOM 429 CG ARG A 27 22.209 24.649 18.673 1.00 0.00 C ATOM 430 CD ARG A 27 20.988 23.839 19.107 1.00 0.00 C ATOM 431 NE ARG A 27 21.225 23.299 20.474 1.00 0.00 N ATOM 432 CZ ARG A 27 20.238 22.794 21.158 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.046 22.730 20.632 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.444 22.347 22.366 1.00 0.00 N ATOM 0 H ARG A 27 24.192 26.179 19.235 1.00 0.00 H new ATOM 0 HA ARG A 27 25.547 23.896 18.358 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.277 22.787 18.456 1.00 0.00 H new ATOM 0 HB3 ARG A 27 23.708 23.691 19.894 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.292 25.555 19.274 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.102 24.964 17.635 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.097 24.467 19.100 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.809 23.024 18.406 1.00 0.00 H new ATOM 0 HE ARG A 27 22.162 23.324 20.876 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.887 23.075 19.685 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.273 22.335 21.167 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.377 22.393 22.775 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.672 21.952 22.902 1.00 0.00 H new ATOM 448 N ALA A 28 23.691 25.253 16.009 1.00 0.00 N ATOM 449 CA ALA A 28 23.457 25.204 14.543 1.00 0.00 C ATOM 450 C ALA A 28 24.812 25.315 13.844 1.00 0.00 C ATOM 451 O ALA A 28 25.062 24.688 12.835 1.00 0.00 O ATOM 452 CB ALA A 28 22.559 26.369 14.123 1.00 0.00 C ATOM 0 H ALA A 28 23.263 26.042 16.494 1.00 0.00 H new ATOM 0 HA ALA A 28 22.965 24.271 14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.390 26.329 13.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.604 26.298 14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.042 27.312 14.379 1.00 0.00 H new ATOM 458 N GLN A 29 25.691 26.107 14.392 1.00 19.83 N ATOM 459 CA GLN A 29 27.043 26.269 13.792 1.00 20.83 C ATOM 460 C GLN A 29 27.861 24.996 14.015 1.00 20.95 C ATOM 461 O GLN A 29 28.482 24.474 13.111 1.00 22.85 O ATOM 462 CB GLN A 29 27.754 27.446 14.472 1.00 21.33 C ATOM 463 CG GLN A 29 27.080 28.772 14.089 1.00 34.02 C ATOM 464 CD GLN A 29 28.125 29.892 14.073 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.058 30.813 14.863 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.096 29.848 13.202 1.00 45.49 N ATOM 0 H GLN A 29 25.528 26.654 15.238 1.00 19.83 H new ATOM 0 HA GLN A 29 26.946 26.456 12.723 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.730 27.318 15.554 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.803 27.465 14.177 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.611 28.684 13.109 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.289 29.009 14.801 1.00 34.02 H new ATOM 0 HE21 GLN A 29 29.152 29.075 12.539 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.799 30.587 13.184 1.00 45.49 H new ATOM 475 N GLU A 30 27.879 24.511 15.223 1.00 22.87 N ATOM 476 CA GLU A 30 28.670 23.288 15.539 1.00 23.32 C ATOM 477 C GLU A 30 28.058 22.049 14.872 1.00 22.32 C ATOM 478 O GLU A 30 28.761 21.122 14.524 1.00 25.42 O ATOM 479 CB GLU A 30 28.697 23.088 17.058 1.00 24.18 C ATOM 480 CG GLU A 30 29.617 24.132 17.698 1.00 32.27 C ATOM 481 CD GLU A 30 29.827 23.796 19.177 1.00 34.97 C ATOM 482 OE1 GLU A 30 29.174 22.883 19.656 1.00 34.69 O ATOM 483 OE2 GLU A 30 30.639 24.456 19.804 1.00 32.92 O ATOM 0 H GLU A 30 27.375 24.912 16.014 1.00 22.87 H new ATOM 0 HA GLU A 30 29.682 23.418 15.156 1.00 23.32 H new ATOM 0 HB2 GLU A 30 27.690 23.178 17.465 1.00 24.18 H new ATOM 0 HB3 GLU A 30 29.048 22.084 17.296 1.00 24.18 H new ATOM 0 HG2 GLU A 30 30.576 24.153 17.180 1.00 32.27 H new ATOM 0 HG3 GLU A 30 29.180 25.126 17.599 1.00 32.27 H new ATOM 490 N ILE A 31 26.764 22.006 14.698 1.00 0.00 N ATOM 491 CA ILE A 31 26.150 20.799 14.065 1.00 0.00 C ATOM 492 C ILE A 31 26.355 20.852 12.544 1.00 0.00 C ATOM 493 O ILE A 31 26.903 19.940 11.958 1.00 0.00 O ATOM 494 CB ILE A 31 24.654 20.727 14.423 1.00 0.00 C ATOM 495 CG1 ILE A 31 24.142 19.286 14.260 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.839 21.665 13.533 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.379 18.782 12.831 1.00 0.00 C ATOM 0 H ILE A 31 26.111 22.744 14.962 1.00 0.00 H new ATOM 0 HA ILE A 31 26.634 19.899 14.444 1.00 0.00 H new ATOM 0 HB ILE A 31 24.535 21.039 15.461 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.649 18.633 14.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 23.078 19.245 14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.785 21.598 13.803 1.00 0.00 H new ATOM 0 HG22 ILE A 31 24.185 22.689 13.671 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.965 21.377 12.489 1.00 0.00 H new ATOM 0 HD11 ILE A 31 24.009 17.761 12.739 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.851 19.424 12.126 1.00 0.00 H new ATOM 0 HD13 ILE A 31 25.446 18.802 12.610 1.00 0.00 H new ATOM 509 N LEU A 32 25.939 21.907 11.894 1.00 16.72 N ATOM 510 CA LEU A 32 26.136 21.987 10.424 1.00 15.05 C ATOM 511 C LEU A 32 27.629 21.911 10.114 1.00 15.55 C ATOM 512 O LEU A 32 28.029 21.552 9.025 1.00 17.28 O ATOM 513 CB LEU A 32 25.553 23.304 9.900 1.00 12.57 C ATOM 514 CG LEU A 32 24.093 23.094 9.471 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.322 24.408 9.601 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.051 22.629 8.011 1.00 12.45 C ATOM 0 H LEU A 32 25.475 22.710 12.318 1.00 16.72 H new ATOM 0 HA LEU A 32 25.625 21.157 9.936 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.607 24.070 10.674 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.142 23.662 9.055 1.00 12.57 H new ATOM 0 HG LEU A 32 23.637 22.339 10.112 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.287 24.254 9.296 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.348 24.744 10.637 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.780 25.163 8.963 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.015 22.480 7.706 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.511 23.385 7.375 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.597 21.691 7.912 1.00 12.45 H new ATOM 528 N SER A 33 28.457 22.232 11.067 1.00 16.31 N ATOM 529 CA SER A 33 29.921 22.160 10.824 1.00 18.98 C ATOM 530 C SER A 33 30.302 20.699 10.582 1.00 18.49 C ATOM 531 O SER A 33 31.274 20.397 9.919 1.00 21.34 O ATOM 532 CB SER A 33 30.671 22.687 12.048 1.00 19.20 C ATOM 533 OG SER A 33 31.981 22.136 12.071 1.00 24.11 O ATOM 0 H SER A 33 28.184 22.540 12.000 1.00 16.31 H new ATOM 0 HA SER A 33 30.185 22.765 9.957 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.723 23.775 12.016 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.136 22.420 12.959 1.00 19.20 H new ATOM 0 HG SER A 33 32.464 22.473 12.854 1.00 24.11 H new ATOM 539 N GLN A 34 29.535 19.789 11.127 1.00 20.00 N ATOM 540 CA GLN A 34 29.834 18.341 10.949 1.00 24.71 C ATOM 541 C GLN A 34 29.107 17.793 9.713 1.00 23.33 C ATOM 542 O GLN A 34 29.168 16.612 9.428 1.00 26.27 O ATOM 543 CB GLN A 34 29.359 17.576 12.184 1.00 28.15 C ATOM 544 CG GLN A 34 29.970 18.194 13.443 1.00 37.01 C ATOM 545 CD GLN A 34 31.495 18.099 13.371 1.00 41.74 C ATOM 546 OE1 GLN A 34 32.065 17.061 13.645 1.00 44.07 O ATOM 547 NE2 GLN A 34 32.186 19.147 13.012 1.00 41.20 N ATOM 0 H GLN A 34 28.710 19.991 11.691 1.00 20.00 H new ATOM 0 HA GLN A 34 30.909 18.216 10.816 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.271 17.605 12.245 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.646 16.527 12.106 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.664 19.236 13.534 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.604 17.676 14.329 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.708 20.018 12.782 1.00 41.20 H new ATOM 0 HE22 GLN A 34 33.203 19.094 12.962 1.00 41.20 H new ATOM 556 N LEU A 35 28.413 18.626 8.977 1.00 19.63 N ATOM 557 CA LEU A 35 27.690 18.125 7.774 1.00 15.93 C ATOM 558 C LEU A 35 28.605 18.240 6.539 1.00 13.36 C ATOM 559 O LEU A 35 29.145 19.298 6.284 1.00 16.12 O ATOM 560 CB LEU A 35 26.423 18.972 7.560 1.00 13.69 C ATOM 561 CG LEU A 35 25.268 18.450 8.437 1.00 11.57 C ATOM 562 CD1 LEU A 35 24.024 19.330 8.233 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.923 17.004 8.046 1.00 16.28 C ATOM 0 H LEU A 35 28.318 19.625 9.158 1.00 19.63 H new ATOM 0 HA LEU A 35 27.412 17.081 7.919 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.630 20.014 7.804 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.132 18.942 6.510 1.00 13.69 H new ATOM 0 HG LEU A 35 25.578 18.482 9.481 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.209 18.958 8.854 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.255 20.357 8.514 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.724 19.299 7.185 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.106 16.643 8.671 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.621 16.972 6.999 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.797 16.370 8.190 1.00 16.28 H new ATOM 575 N PRO A 36 28.760 17.154 5.805 1.00 16.38 N ATOM 576 CA PRO A 36 29.615 17.147 4.603 1.00 17.59 C ATOM 577 C PRO A 36 29.023 18.079 3.545 1.00 19.11 C ATOM 578 O PRO A 36 28.548 17.653 2.513 1.00 21.54 O ATOM 579 CB PRO A 36 29.604 15.689 4.119 1.00 16.71 C ATOM 580 CG PRO A 36 28.518 14.949 4.929 1.00 16.59 C ATOM 581 CD PRO A 36 28.112 15.861 6.097 1.00 15.74 C ATOM 0 HA PRO A 36 30.628 17.495 4.803 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.389 15.639 3.052 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.579 15.226 4.270 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.656 14.725 4.300 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.898 13.997 5.300 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.029 15.966 6.159 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.449 15.456 7.051 1.00 15.74 H new ATOM 589 N ILE A 37 29.050 19.350 3.804 1.00 0.00 N ATOM 590 CA ILE A 37 28.497 20.329 2.826 1.00 0.00 C ATOM 591 C ILE A 37 29.555 20.625 1.763 1.00 0.00 C ATOM 592 O ILE A 37 30.741 20.530 2.011 1.00 0.00 O ATOM 593 CB ILE A 37 28.121 21.622 3.553 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.989 21.329 4.554 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.669 22.670 2.528 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.625 21.431 3.862 1.00 0.00 C ATOM 0 H ILE A 37 29.433 19.760 4.656 1.00 0.00 H new ATOM 0 HA ILE A 37 27.608 19.914 2.352 1.00 0.00 H new ATOM 0 HB ILE A 37 28.984 22.009 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 37 27.117 20.332 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 37 27.037 22.034 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.401 23.592 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.481 22.869 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.803 22.295 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.835 21.221 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.494 22.437 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.575 20.708 3.048 1.00 0.00 H new ATOM 608 N LYS A 38 29.137 20.972 0.577 1.00 12.68 N ATOM 609 CA LYS A 38 30.118 21.264 -0.504 1.00 12.78 C ATOM 610 C LYS A 38 31.125 22.310 -0.023 1.00 14.66 C ATOM 611 O LYS A 38 31.162 22.660 1.139 1.00 13.94 O ATOM 612 CB LYS A 38 29.372 21.787 -1.733 1.00 11.68 C ATOM 613 CG LYS A 38 28.721 20.617 -2.479 1.00 12.28 C ATOM 614 CD LYS A 38 29.771 19.873 -3.316 1.00 13.74 C ATOM 615 CE LYS A 38 29.078 19.090 -4.433 1.00 20.88 C ATOM 616 NZ LYS A 38 30.072 18.216 -5.120 1.00 29.41 N ATOM 0 H LYS A 38 28.157 21.066 0.310 1.00 12.68 H new ATOM 0 HA LYS A 38 30.655 20.352 -0.765 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.611 22.506 -1.430 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.062 22.313 -2.393 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.261 19.932 -1.766 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.925 20.986 -3.125 1.00 12.28 H new ATOM 0 HD2 LYS A 38 30.480 20.583 -3.742 1.00 13.74 H new ATOM 0 HD3 LYS A 38 30.341 19.194 -2.682 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.270 18.485 -4.020 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.628 19.778 -5.148 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 29.600 17.684 -5.879 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 30.828 18.803 -5.527 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 30.482 17.550 -4.434 1.00 29.41 H new ATOM 630 N GLN A 39 31.950 22.794 -0.912 1.00 0.00 N ATOM 631 CA GLN A 39 32.975 23.809 -0.529 1.00 0.00 C ATOM 632 C GLN A 39 32.332 24.967 0.244 1.00 0.00 C ATOM 633 O GLN A 39 31.638 24.773 1.221 1.00 0.00 O ATOM 634 CB GLN A 39 33.655 24.349 -1.794 1.00 0.00 C ATOM 635 CG GLN A 39 34.324 23.196 -2.567 1.00 0.00 C ATOM 636 CD GLN A 39 33.633 23.004 -3.921 1.00 0.00 C ATOM 637 OE1 GLN A 39 32.445 22.755 -3.980 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.332 23.113 -5.018 1.00 0.00 N ATOM 0 H GLN A 39 31.958 22.527 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 39 33.714 23.333 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.920 24.845 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.400 25.098 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.382 23.413 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.266 22.276 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.329 23.322 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.881 22.989 -5.924 1.00 0.00 H new ATOM 647 N GLY A 40 32.579 26.178 -0.176 1.00 11.96 N ATOM 648 CA GLY A 40 32.007 27.353 0.540 1.00 8.67 C ATOM 649 C GLY A 40 30.489 27.389 0.381 1.00 10.51 C ATOM 650 O GLY A 40 29.919 28.407 0.041 1.00 15.27 O ATOM 0 H GLY A 40 33.154 26.404 -0.987 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.267 27.304 1.597 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.442 28.272 0.148 1.00 8.67 H new ATOM 654 N LEU A 41 29.827 26.295 0.629 1.00 8.78 N ATOM 655 CA LEU A 41 28.337 26.282 0.494 1.00 6.78 C ATOM 656 C LEU A 41 27.694 26.460 1.873 1.00 7.45 C ATOM 657 O LEU A 41 26.517 26.738 1.984 1.00 2.18 O ATOM 658 CB LEU A 41 27.881 24.952 -0.129 1.00 6.98 C ATOM 659 CG LEU A 41 27.025 25.213 -1.386 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.928 25.303 -2.618 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.015 24.071 -1.579 1.00 6.68 C ATOM 0 H LEU A 41 30.246 25.411 0.918 1.00 8.78 H new ATOM 0 HA LEU A 41 28.027 27.102 -0.154 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.750 24.349 -0.392 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.305 24.381 0.599 1.00 6.98 H new ATOM 0 HG LEU A 41 26.488 26.153 -1.258 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.319 25.487 -3.503 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.638 26.120 -2.490 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.471 24.366 -2.740 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.415 24.263 -2.468 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.550 23.129 -1.698 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.363 24.010 -0.707 1.00 6.68 H new ATOM 673 N LEU A 42 28.458 26.313 2.921 1.00 7.13 N ATOM 674 CA LEU A 42 27.894 26.486 4.293 1.00 6.20 C ATOM 675 C LEU A 42 28.420 27.798 4.875 1.00 5.03 C ATOM 676 O LEU A 42 29.608 28.050 4.865 1.00 5.38 O ATOM 677 CB LEU A 42 28.341 25.318 5.176 1.00 3.82 C ATOM 678 CG LEU A 42 27.880 25.545 6.622 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.361 25.756 6.662 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.243 24.320 7.465 1.00 2.48 C ATOM 0 H LEU A 42 29.450 26.080 2.888 1.00 7.13 H new ATOM 0 HA LEU A 42 26.805 26.508 4.251 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.926 24.385 4.796 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.426 25.221 5.143 1.00 3.82 H new ATOM 0 HG LEU A 42 28.374 26.431 7.021 1.00 3.80 H new ATOM 0 HD11 LEU A 42 26.043 25.916 7.692 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.099 26.627 6.062 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.861 24.875 6.261 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.917 24.477 8.493 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.748 23.438 7.058 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.323 24.171 7.445 1.00 2.48 H new ATOM 692 N GLU A 43 27.556 28.641 5.376 1.00 5.92 N ATOM 693 CA GLU A 43 28.034 29.937 5.944 1.00 7.54 C ATOM 694 C GLU A 43 27.236 30.297 7.201 1.00 6.00 C ATOM 695 O GLU A 43 26.185 29.747 7.468 1.00 4.97 O ATOM 696 CB GLU A 43 27.858 31.043 4.895 1.00 8.77 C ATOM 697 CG GLU A 43 28.941 32.116 5.078 1.00 16.17 C ATOM 698 CD GLU A 43 30.191 31.726 4.284 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.111 31.697 3.067 1.00 19.19 O ATOM 700 OE2 GLU A 43 31.207 31.463 4.907 1.00 22.03 O ATOM 0 H GLU A 43 26.548 28.491 5.417 1.00 5.92 H new ATOM 0 HA GLU A 43 29.086 29.840 6.212 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.920 30.619 3.893 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.869 31.492 4.990 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.570 33.083 4.739 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.187 32.222 6.135 1.00 16.17 H new ATOM 707 N PHE A 44 27.732 31.237 7.960 1.00 7.78 N ATOM 708 CA PHE A 44 27.029 31.682 9.198 1.00 9.60 C ATOM 709 C PHE A 44 26.903 33.206 9.141 1.00 6.71 C ATOM 710 O PHE A 44 27.885 33.920 9.165 1.00 6.85 O ATOM 711 CB PHE A 44 27.843 31.264 10.425 1.00 12.09 C ATOM 712 CG PHE A 44 28.201 29.800 10.306 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.217 28.821 10.490 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.515 29.422 10.004 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.547 27.466 10.373 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.844 28.067 9.888 1.00 16.33 C ATOM 717 CZ PHE A 44 28.861 27.089 10.073 1.00 10.85 C ATOM 0 H PHE A 44 28.609 31.723 7.771 1.00 7.78 H new ATOM 0 HA PHE A 44 26.041 31.227 9.268 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.748 31.867 10.499 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.268 31.438 11.335 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.203 29.112 10.722 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.275 30.176 9.861 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.788 26.711 10.514 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.858 27.776 9.655 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.116 26.043 9.984 1.00 10.85 H new ATOM 727 N VAL A 45 25.704 33.710 9.020 1.00 6.10 N ATOM 728 CA VAL A 45 25.519 35.187 8.908 1.00 6.58 C ATOM 729 C VAL A 45 25.185 35.811 10.266 1.00 6.12 C ATOM 730 O VAL A 45 24.084 35.689 10.766 1.00 5.14 O ATOM 731 CB VAL A 45 24.373 35.463 7.933 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.019 36.952 7.958 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.803 35.057 6.522 1.00 2.33 C ATOM 0 H VAL A 45 24.844 33.163 8.994 1.00 6.10 H new ATOM 0 HA VAL A 45 26.449 35.630 8.550 1.00 6.58 H new ATOM 0 HB VAL A 45 23.497 34.885 8.228 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.202 37.144 7.262 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.712 37.236 8.965 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.890 37.538 7.665 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.989 35.252 5.823 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.679 35.635 6.228 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.047 33.995 6.508 1.00 2.33 H new ATOM 743 N ASP A 46 26.123 36.510 10.847 1.00 6.79 N ATOM 744 CA ASP A 46 25.863 37.179 12.151 1.00 6.49 C ATOM 745 C ASP A 46 25.140 38.505 11.883 1.00 9.11 C ATOM 746 O ASP A 46 25.743 39.477 11.474 1.00 7.52 O ATOM 747 CB ASP A 46 27.196 37.450 12.850 1.00 7.84 C ATOM 748 CG ASP A 46 27.956 36.134 13.028 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.442 35.264 13.711 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.040 36.020 12.480 1.00 15.32 O ATOM 0 H ASP A 46 27.062 36.646 10.471 1.00 6.79 H new ATOM 0 HA ASP A 46 25.247 36.544 12.788 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.791 38.149 12.263 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.022 37.916 13.820 1.00 7.84 H new ATOM 755 N ILE A 47 23.851 38.549 12.084 1.00 8.21 N ATOM 756 CA ILE A 47 23.095 39.808 11.814 1.00 8.33 C ATOM 757 C ILE A 47 23.567 40.933 12.738 1.00 10.92 C ATOM 758 O ILE A 47 23.143 42.064 12.610 1.00 9.40 O ATOM 759 CB ILE A 47 21.601 39.565 12.028 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.369 38.977 13.421 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.095 38.581 10.976 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.867 38.921 13.708 1.00 7.93 C ATOM 0 H ILE A 47 23.288 37.769 12.423 1.00 8.21 H new ATOM 0 HA ILE A 47 23.277 40.106 10.781 1.00 8.33 H new ATOM 0 HB ILE A 47 21.064 40.510 11.939 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.799 37.977 13.482 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.871 39.586 14.173 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.030 38.405 11.125 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.259 38.996 9.981 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.635 37.639 11.069 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.702 38.502 14.701 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.451 39.927 13.665 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.377 38.294 12.963 1.00 7.93 H new ATOM 774 N THR A 48 24.435 40.645 13.668 1.00 13.41 N ATOM 775 CA THR A 48 24.914 41.718 14.588 1.00 16.67 C ATOM 776 C THR A 48 26.227 42.296 14.056 1.00 16.58 C ATOM 777 O THR A 48 26.593 43.414 14.362 1.00 18.03 O ATOM 778 CB THR A 48 25.136 41.134 15.987 1.00 15.80 C ATOM 779 OG1 THR A 48 25.268 42.193 16.923 1.00 21.06 O ATOM 780 CG2 THR A 48 26.407 40.283 15.998 1.00 21.72 C ATOM 0 H THR A 48 24.832 39.720 13.831 1.00 13.41 H new ATOM 0 HA THR A 48 24.167 42.510 14.644 1.00 16.67 H new ATOM 0 HB THR A 48 24.284 40.510 16.257 1.00 15.80 H new ATOM 0 HG1 THR A 48 25.409 41.822 17.819 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.560 39.870 16.995 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.306 39.469 15.280 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.262 40.902 15.727 1.00 21.72 H new ATOM 788 N ALA A 49 26.937 41.546 13.260 1.00 15.36 N ATOM 789 CA ALA A 49 28.223 42.055 12.709 1.00 18.08 C ATOM 790 C ALA A 49 27.941 43.026 11.559 1.00 20.63 C ATOM 791 O ALA A 49 28.800 43.305 10.747 1.00 22.45 O ATOM 792 CB ALA A 49 29.058 40.882 12.192 1.00 18.76 C ATOM 0 H ALA A 49 26.682 40.603 12.967 1.00 15.36 H new ATOM 0 HA ALA A 49 28.772 42.574 13.495 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.999 41.255 11.789 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.262 40.192 13.011 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.508 40.362 11.408 1.00 18.76 H new ATOM 798 N THR A 50 26.741 43.538 11.476 1.00 22.30 N ATOM 799 CA THR A 50 26.410 44.485 10.369 1.00 25.27 C ATOM 800 C THR A 50 25.446 45.564 10.869 1.00 24.34 C ATOM 801 O THR A 50 25.087 46.466 10.142 1.00 25.49 O ATOM 802 CB THR A 50 25.752 43.711 9.223 1.00 22.85 C ATOM 803 OG1 THR A 50 25.535 44.587 8.127 1.00 23.28 O ATOM 804 CG2 THR A 50 24.413 43.136 9.691 1.00 25.63 C ATOM 0 H THR A 50 25.978 43.343 12.124 1.00 22.30 H new ATOM 0 HA THR A 50 27.327 44.960 10.020 1.00 25.27 H new ATOM 0 HB THR A 50 26.406 42.895 8.915 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.365 45.493 8.461 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.947 42.586 8.873 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.580 42.463 10.532 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.757 43.949 10.001 1.00 25.63 H new ATOM 812 N ASN A 51 25.023 45.477 12.101 1.00 0.00 N ATOM 813 CA ASN A 51 24.081 46.498 12.646 1.00 0.00 C ATOM 814 C ASN A 51 22.684 46.248 12.070 1.00 0.00 C ATOM 815 O ASN A 51 22.465 45.299 11.343 1.00 0.00 O ATOM 816 CB ASN A 51 24.555 47.910 12.275 1.00 0.00 C ATOM 817 CG ASN A 51 26.084 47.949 12.242 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.735 47.553 13.188 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.689 48.416 11.183 1.00 0.00 N ATOM 0 H ASN A 51 25.289 44.741 12.755 1.00 0.00 H new ATOM 0 HA ASN A 51 24.050 46.418 13.733 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.153 48.195 11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.179 48.632 12.999 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.708 48.448 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.143 48.749 10.389 1.00 0.00 H new ATOM 826 N HIS A 52 21.736 47.084 12.389 1.00 0.00 N ATOM 827 CA HIS A 52 20.359 46.878 11.856 1.00 0.00 C ATOM 828 C HIS A 52 19.890 45.472 12.237 1.00 0.00 C ATOM 829 O HIS A 52 19.087 44.866 11.559 1.00 0.00 O ATOM 830 CB HIS A 52 20.363 47.024 10.325 1.00 0.00 C ATOM 831 CG HIS A 52 21.559 47.826 9.887 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.536 47.300 9.055 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.945 49.118 10.147 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.452 48.263 8.844 1.00 0.00 C ATOM 835 NE2 HIS A 52 23.141 49.392 9.488 1.00 0.00 N ATOM 0 H HIS A 52 21.853 47.898 12.993 1.00 0.00 H new ATOM 0 HA HIS A 52 19.685 47.623 12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.384 46.039 9.858 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.446 47.513 9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.403 49.816 10.768 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.331 48.139 8.229 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.666 50.266 9.495 1.00 0.00 H new ATOM 843 N THR A 53 20.396 44.947 13.315 1.00 18.27 N ATOM 844 CA THR A 53 19.997 43.576 13.745 1.00 16.01 C ATOM 845 C THR A 53 18.478 43.401 13.614 1.00 16.57 C ATOM 846 O THR A 53 18.003 42.532 12.911 1.00 18.87 O ATOM 847 CB THR A 53 20.415 43.372 15.209 1.00 15.02 C ATOM 848 OG1 THR A 53 21.392 44.343 15.558 1.00 13.32 O ATOM 849 CG2 THR A 53 21.001 41.971 15.395 1.00 9.59 C ATOM 0 H THR A 53 21.073 45.409 13.922 1.00 18.27 H new ATOM 0 HA THR A 53 20.490 42.839 13.111 1.00 16.01 H new ATOM 0 HB THR A 53 19.541 43.481 15.851 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.660 44.217 16.492 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.295 41.835 16.436 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.252 41.225 15.129 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.874 41.854 14.753 1.00 9.59 H new ATOM 857 N ASN A 54 17.717 44.209 14.299 1.00 13.94 N ATOM 858 CA ASN A 54 16.231 44.081 14.238 1.00 18.93 C ATOM 859 C ASN A 54 15.727 44.222 12.797 1.00 16.34 C ATOM 860 O ASN A 54 14.702 43.674 12.443 1.00 15.61 O ATOM 861 CB ASN A 54 15.595 45.168 15.104 1.00 24.12 C ATOM 862 CG ASN A 54 16.114 45.047 16.538 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.903 44.174 16.840 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.701 45.893 17.442 1.00 37.58 N ATOM 0 H ASN A 54 18.061 44.957 14.902 1.00 13.94 H new ATOM 0 HA ASN A 54 15.953 43.094 14.607 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.832 46.153 14.702 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.509 45.071 15.089 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.041 45.821 18.401 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.039 46.626 17.189 1.00 37.58 H new ATOM 871 N GLU A 55 16.416 44.950 11.962 1.00 16.09 N ATOM 872 CA GLU A 55 15.929 45.105 10.560 1.00 15.04 C ATOM 873 C GLU A 55 15.952 43.746 9.857 1.00 15.56 C ATOM 874 O GLU A 55 15.013 43.375 9.182 1.00 18.95 O ATOM 875 CB GLU A 55 16.818 46.091 9.801 1.00 18.55 C ATOM 876 CG GLU A 55 16.489 47.517 10.247 1.00 23.55 C ATOM 877 CD GLU A 55 15.114 47.919 9.709 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.953 47.932 8.500 1.00 31.49 O ATOM 879 OE2 GLU A 55 14.246 48.207 10.516 1.00 33.02 O ATOM 0 H GLU A 55 17.283 45.439 12.184 1.00 16.09 H new ATOM 0 HA GLU A 55 14.909 45.489 10.578 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.869 45.872 9.991 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.660 45.988 8.727 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.497 47.579 11.335 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.249 48.207 9.882 1.00 23.55 H new ATOM 886 N ILE A 56 17.009 42.995 10.006 1.00 9.56 N ATOM 887 CA ILE A 56 17.061 41.666 9.336 1.00 8.91 C ATOM 888 C ILE A 56 16.005 40.743 9.952 1.00 7.70 C ATOM 889 O ILE A 56 15.181 40.189 9.255 1.00 9.84 O ATOM 890 CB ILE A 56 18.453 41.049 9.498 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.447 41.774 8.577 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.400 39.566 9.117 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.058 42.967 9.313 1.00 8.03 C ATOM 0 H ILE A 56 17.831 43.241 10.557 1.00 9.56 H new ATOM 0 HA ILE A 56 16.856 41.792 8.273 1.00 8.91 H new ATOM 0 HB ILE A 56 18.776 41.150 10.534 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.233 41.087 8.262 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.940 42.113 7.674 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.390 39.125 9.232 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.695 39.048 9.767 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.077 39.468 8.081 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.762 43.478 8.656 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.267 43.658 9.605 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.581 42.617 10.203 1.00 8.03 H new ATOM 905 N GLN A 57 16.007 40.578 11.249 1.00 7.49 N ATOM 906 CA GLN A 57 14.982 39.692 11.872 1.00 6.88 C ATOM 907 C GLN A 57 13.614 40.209 11.460 1.00 9.50 C ATOM 908 O GLN A 57 12.723 39.457 11.118 1.00 11.03 O ATOM 909 CB GLN A 57 15.095 39.747 13.395 1.00 11.02 C ATOM 910 CG GLN A 57 16.570 39.849 13.797 1.00 12.13 C ATOM 911 CD GLN A 57 16.812 39.052 15.083 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.974 37.849 15.044 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.846 39.677 16.229 1.00 17.84 N ATOM 0 H GLN A 57 16.665 41.012 11.896 1.00 7.49 H new ATOM 0 HA GLN A 57 15.130 38.663 11.546 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.542 40.604 13.780 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.648 38.856 13.835 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.202 39.466 12.996 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.844 40.893 13.948 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.710 40.687 16.263 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.008 39.155 17.090 1.00 17.84 H new ATOM 922 N ASP A 58 13.453 41.500 11.466 1.00 13.48 N ATOM 923 CA ASP A 58 12.157 42.079 11.048 1.00 13.94 C ATOM 924 C ASP A 58 11.860 41.560 9.647 1.00 13.32 C ATOM 925 O ASP A 58 10.727 41.318 9.282 1.00 14.28 O ATOM 926 CB ASP A 58 12.268 43.605 11.025 1.00 12.80 C ATOM 927 CG ASP A 58 12.109 44.152 12.444 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.123 43.357 13.369 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.976 45.358 12.582 1.00 18.84 O ATOM 0 H ASP A 58 14.164 42.176 11.743 1.00 13.48 H new ATOM 0 HA ASP A 58 11.361 41.799 11.737 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.233 43.903 10.615 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.502 44.026 10.374 1.00 12.80 H new ATOM 934 N TYR A 59 12.888 41.364 8.869 1.00 12.69 N ATOM 935 CA TYR A 59 12.690 40.831 7.492 1.00 10.10 C ATOM 936 C TYR A 59 12.439 39.324 7.576 1.00 7.75 C ATOM 937 O TYR A 59 11.516 38.806 6.979 1.00 5.81 O ATOM 938 CB TYR A 59 13.929 41.098 6.639 1.00 12.40 C ATOM 939 CG TYR A 59 13.631 40.732 5.205 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.059 41.676 4.343 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.926 39.447 4.737 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.783 41.334 3.014 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.650 39.105 3.407 1.00 10.94 C ATOM 944 CZ TYR A 59 13.080 40.049 2.546 1.00 9.37 C ATOM 945 OH TYR A 59 12.808 39.712 1.235 1.00 12.99 O ATOM 0 H TYR A 59 13.857 41.550 9.127 1.00 12.69 H new ATOM 0 HA TYR A 59 11.836 41.327 7.031 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.213 42.148 6.708 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.772 40.515 7.008 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.831 42.668 4.704 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.367 38.718 5.401 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.341 42.062 2.350 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.877 38.113 3.046 1.00 10.94 H new ATOM 0 HH TYR A 59 13.635 39.746 0.710 1.00 12.99 H new ATOM 955 N LEU A 60 13.247 38.614 8.322 1.00 10.71 N ATOM 956 CA LEU A 60 13.035 37.144 8.445 1.00 11.04 C ATOM 957 C LEU A 60 11.599 36.906 8.898 1.00 10.32 C ATOM 958 O LEU A 60 10.950 35.962 8.496 1.00 14.61 O ATOM 959 CB LEU A 60 13.992 36.558 9.489 1.00 7.24 C ATOM 960 CG LEU A 60 15.441 36.916 9.146 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.372 36.330 10.212 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.807 36.335 7.777 1.00 7.23 C ATOM 0 H LEU A 60 14.038 38.987 8.847 1.00 10.71 H new ATOM 0 HA LEU A 60 13.223 36.664 7.485 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.740 36.941 10.478 1.00 7.24 H new ATOM 0 HB3 LEU A 60 13.878 35.475 9.529 1.00 7.24 H new ATOM 0 HG LEU A 60 15.549 38.000 9.118 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.405 36.582 9.972 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.115 36.744 11.187 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.260 35.246 10.237 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.839 36.592 7.537 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.699 35.251 7.801 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.144 36.748 7.017 1.00 7.23 H new ATOM 974 N GLN A 61 11.105 37.769 9.735 1.00 10.78 N ATOM 975 CA GLN A 61 9.712 37.627 10.235 1.00 11.72 C ATOM 976 C GLN A 61 8.739 37.627 9.050 1.00 14.05 C ATOM 977 O GLN A 61 7.895 36.764 8.928 1.00 14.24 O ATOM 978 CB GLN A 61 9.414 38.812 11.165 1.00 17.47 C ATOM 979 CG GLN A 61 7.908 38.963 11.393 1.00 25.06 C ATOM 980 CD GLN A 61 7.395 37.804 12.244 1.00 31.26 C ATOM 981 OE1 GLN A 61 8.067 37.360 13.154 1.00 40.45 O ATOM 982 NE2 GLN A 61 6.222 37.296 11.986 1.00 30.05 N ATOM 0 H GLN A 61 11.612 38.576 10.099 1.00 10.78 H new ATOM 0 HA GLN A 61 9.595 36.690 10.779 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.917 38.665 12.121 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.814 39.729 10.732 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.699 39.911 11.889 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.386 38.982 10.436 1.00 25.06 H new ATOM 0 HE21 GLN A 61 5.661 37.671 11.221 1.00 30.05 H new ATOM 0 HE22 GLN A 61 5.866 36.523 12.549 1.00 30.05 H new ATOM 991 N GLN A 62 8.837 38.599 8.188 1.00 15.71 N ATOM 992 CA GLN A 62 7.901 38.666 7.028 1.00 18.54 C ATOM 993 C GLN A 62 8.132 37.494 6.064 1.00 19.36 C ATOM 994 O GLN A 62 7.208 36.794 5.699 1.00 19.52 O ATOM 995 CB GLN A 62 8.118 39.981 6.278 1.00 25.59 C ATOM 996 CG GLN A 62 6.942 40.228 5.331 1.00 34.08 C ATOM 997 CD GLN A 62 7.261 41.408 4.412 1.00 38.28 C ATOM 998 OE1 GLN A 62 8.402 41.625 4.055 1.00 41.81 O ATOM 999 NE2 GLN A 62 6.292 42.184 4.013 1.00 36.81 N ATOM 0 H GLN A 62 9.524 39.351 8.235 1.00 15.71 H new ATOM 0 HA GLN A 62 6.880 38.609 7.406 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.208 40.805 6.986 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.050 39.941 5.715 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.746 39.335 4.738 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.038 40.435 5.904 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.335 42.000 4.314 1.00 36.81 H new ATOM 0 HE22 GLN A 62 6.491 42.975 3.400 1.00 36.81 H new ATOM 1008 N LEU A 63 9.344 37.291 5.624 1.00 17.09 N ATOM 1009 CA LEU A 63 9.607 36.181 4.657 1.00 16.00 C ATOM 1010 C LEU A 63 9.329 34.822 5.301 1.00 11.34 C ATOM 1011 O LEU A 63 8.932 33.886 4.638 1.00 10.68 O ATOM 1012 CB LEU A 63 11.067 36.229 4.193 1.00 19.91 C ATOM 1013 CG LEU A 63 11.298 35.173 3.096 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.878 35.836 1.843 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.276 34.107 3.601 1.00 19.51 C ATOM 0 H LEU A 63 10.161 37.841 5.889 1.00 17.09 H new ATOM 0 HA LEU A 63 8.943 36.309 3.803 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.305 37.222 3.811 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.733 36.044 5.036 1.00 19.91 H new ATOM 0 HG LEU A 63 10.344 34.708 2.850 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.038 35.081 1.073 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.181 36.589 1.474 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.828 36.310 2.089 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.436 33.362 2.822 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.226 34.576 3.855 1.00 19.51 H new ATOM 0 HD23 LEU A 63 11.862 33.623 4.486 1.00 19.51 H new ATOM 1027 N THR A 64 9.542 34.700 6.581 1.00 10.04 N ATOM 1028 CA THR A 64 9.299 33.388 7.260 1.00 8.87 C ATOM 1029 C THR A 64 8.112 33.510 8.216 1.00 10.75 C ATOM 1030 O THR A 64 7.052 32.961 7.982 1.00 11.38 O ATOM 1031 CB THR A 64 10.545 32.979 8.057 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.646 33.786 9.221 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.800 33.157 7.198 1.00 6.96 C ATOM 0 H THR A 64 9.873 35.449 7.189 1.00 10.04 H new ATOM 0 HA THR A 64 9.082 32.633 6.504 1.00 8.87 H new ATOM 0 HB THR A 64 10.458 31.931 8.344 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.069 34.640 8.992 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.679 32.864 7.773 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.723 32.532 6.308 1.00 6.96 H new ATOM 0 HG23 THR A 64 11.892 34.202 6.901 1.00 6.96 H new ATOM 1041 N GLY A 65 8.286 34.218 9.296 1.00 10.19 N ATOM 1042 CA GLY A 65 7.178 34.376 10.283 1.00 13.28 C ATOM 1043 C GLY A 65 7.771 34.449 11.689 1.00 14.66 C ATOM 1044 O GLY A 65 7.367 35.252 12.505 1.00 14.79 O ATOM 0 H GLY A 65 9.152 34.697 9.540 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.608 35.280 10.067 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.486 33.537 10.209 1.00 13.28 H new ATOM 1048 N ALA A 66 8.725 33.609 11.977 1.00 12.02 N ATOM 1049 CA ALA A 66 9.357 33.616 13.328 1.00 9.85 C ATOM 1050 C ALA A 66 10.673 34.394 13.288 1.00 14.04 C ATOM 1051 O ALA A 66 11.512 34.180 12.435 1.00 17.81 O ATOM 1052 CB ALA A 66 9.631 32.177 13.764 1.00 13.74 C ATOM 0 H ALA A 66 9.097 32.913 11.331 1.00 12.02 H new ATOM 0 HA ALA A 66 8.682 34.095 14.037 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.093 32.178 14.751 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.693 31.624 13.803 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.303 31.702 13.049 1.00 13.74 H new ATOM 1058 N ARG A 67 10.860 35.286 14.221 1.00 15.81 N ATOM 1059 CA ARG A 67 12.117 36.082 14.274 1.00 16.07 C ATOM 1060 C ARG A 67 13.048 35.473 15.328 1.00 14.37 C ATOM 1061 O ARG A 67 13.786 36.168 15.999 1.00 14.43 O ATOM 1062 CB ARG A 67 11.773 37.521 14.667 1.00 15.97 C ATOM 1063 CG ARG A 67 10.875 37.524 15.920 1.00 17.12 C ATOM 1064 CD ARG A 67 11.595 38.210 17.083 1.00 22.31 C ATOM 1065 NE ARG A 67 12.079 39.553 16.655 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.408 40.439 17.554 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.291 40.154 18.821 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.851 41.611 17.188 1.00 21.50 N ATOM 0 H ARG A 67 10.187 35.499 14.957 1.00 15.81 H new ATOM 0 HA ARG A 67 12.610 36.074 13.302 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.687 38.082 14.863 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.263 38.020 13.843 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.940 38.041 15.705 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.617 36.501 16.194 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.919 38.310 17.933 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.435 37.599 17.414 1.00 22.31 H new ATOM 0 HE ARG A 67 12.153 39.778 15.663 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.943 39.239 19.108 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.548 40.846 19.525 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.941 41.836 16.197 1.00 21.50 H new ATOM 0 HH22 ARG A 67 13.108 42.302 17.893 1.00 21.50 H new ATOM 1082 N THR A 68 12.999 34.179 15.489 1.00 13.52 N ATOM 1083 CA THR A 68 13.854 33.507 16.512 1.00 14.97 C ATOM 1084 C THR A 68 15.270 33.271 15.968 1.00 12.85 C ATOM 1085 O THR A 68 15.554 33.509 14.811 1.00 10.80 O ATOM 1086 CB THR A 68 13.207 32.163 16.880 1.00 13.06 C ATOM 1087 OG1 THR A 68 11.956 32.054 16.216 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.987 32.089 18.391 1.00 14.06 C ATOM 0 H THR A 68 12.399 33.553 14.952 1.00 13.52 H new ATOM 0 HA THR A 68 13.933 34.144 17.393 1.00 14.97 H new ATOM 0 HB THR A 68 13.863 31.348 16.574 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.538 31.198 16.445 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.528 31.134 18.645 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.945 32.179 18.903 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.331 32.901 18.703 1.00 14.06 H new ATOM 1096 N VAL A 69 16.157 32.795 16.812 1.00 8.20 N ATOM 1097 CA VAL A 69 17.566 32.524 16.378 1.00 5.92 C ATOM 1098 C VAL A 69 17.882 31.044 16.646 1.00 5.25 C ATOM 1099 O VAL A 69 17.534 30.539 17.690 1.00 5.78 O ATOM 1100 CB VAL A 69 18.529 33.385 17.208 1.00 4.36 C ATOM 1101 CG1 VAL A 69 19.909 33.402 16.554 1.00 2.07 C ATOM 1102 CG2 VAL A 69 17.991 34.814 17.316 1.00 4.08 C ATOM 0 H VAL A 69 15.963 32.581 17.790 1.00 8.20 H new ATOM 0 HA VAL A 69 17.679 32.757 15.319 1.00 5.92 H new ATOM 0 HB VAL A 69 18.612 32.958 18.207 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.586 34.015 17.149 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.297 32.385 16.496 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.831 33.818 15.550 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.680 35.418 17.906 1.00 4.08 H new ATOM 0 HG22 VAL A 69 17.895 35.243 16.319 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.015 34.800 17.800 1.00 4.08 H new ATOM 1112 N PRO A 70 18.529 30.375 15.719 1.00 5.33 N ATOM 1113 CA PRO A 70 18.980 30.938 14.430 1.00 6.04 C ATOM 1114 C PRO A 70 17.848 30.876 13.414 1.00 7.79 C ATOM 1115 O PRO A 70 16.749 30.461 13.715 1.00 7.15 O ATOM 1116 CB PRO A 70 20.078 29.964 13.989 1.00 3.22 C ATOM 1117 CG PRO A 70 19.778 28.622 14.699 1.00 6.88 C ATOM 1118 CD PRO A 70 18.878 28.954 15.903 1.00 6.17 C ATOM 0 HA PRO A 70 19.306 31.975 14.511 1.00 6.04 H new ATOM 0 HB2 PRO A 70 20.076 29.840 12.906 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.064 30.338 14.265 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.279 27.928 14.022 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.700 28.141 15.025 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.988 28.325 15.919 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.400 28.792 16.846 1.00 6.17 H new ATOM 1126 N ARG A 71 18.141 31.220 12.198 1.00 6.15 N ATOM 1127 CA ARG A 71 17.131 31.122 11.114 1.00 7.10 C ATOM 1128 C ARG A 71 17.872 30.521 9.924 1.00 4.23 C ATOM 1129 O ARG A 71 18.666 31.171 9.273 1.00 6.47 O ATOM 1130 CB ARG A 71 16.568 32.512 10.770 1.00 10.23 C ATOM 1131 CG ARG A 71 15.187 32.704 11.419 1.00 15.67 C ATOM 1132 CD ARG A 71 14.137 31.833 10.700 1.00 20.29 C ATOM 1133 NE ARG A 71 13.080 31.347 11.658 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.380 30.798 12.808 1.00 19.78 C ATOM 1135 NH1 ARG A 71 14.617 30.617 13.152 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.424 30.404 13.610 1.00 23.53 N ATOM 0 H ARG A 71 19.052 31.571 11.903 1.00 6.15 H new ATOM 0 HA ARG A 71 16.278 30.509 11.406 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.252 33.286 11.119 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.488 32.622 9.689 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.232 32.436 12.474 1.00 15.67 H new ATOM 0 HG3 ARG A 71 14.896 33.753 11.369 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.670 32.408 9.901 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.628 30.979 10.233 1.00 20.29 H new ATOM 0 HE ARG A 71 12.098 31.449 11.402 1.00 26.05 H new ATOM 0 HH11 ARG A 71 15.368 30.903 12.524 1.00 22.60 H new ATOM 0 HH12 ARG A 71 14.839 30.188 14.051 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.448 30.525 13.338 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.655 29.976 14.507 1.00 23.53 H new ATOM 1150 N VAL A 72 17.664 29.259 9.682 1.00 4.55 N ATOM 1151 CA VAL A 72 18.402 28.572 8.589 1.00 6.53 C ATOM 1152 C VAL A 72 17.666 28.690 7.255 1.00 8.68 C ATOM 1153 O VAL A 72 16.477 28.935 7.201 1.00 6.48 O ATOM 1154 CB VAL A 72 18.546 27.101 8.960 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.231 26.362 7.816 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.385 26.978 10.237 1.00 3.35 C ATOM 0 H VAL A 72 17.010 28.670 10.198 1.00 4.55 H new ATOM 0 HA VAL A 72 19.378 29.043 8.472 1.00 6.53 H new ATOM 0 HB VAL A 72 17.563 26.665 9.135 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.337 25.309 8.075 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.630 26.454 6.911 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.217 26.794 7.642 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.489 25.926 10.504 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.372 27.409 10.067 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.891 27.511 11.049 1.00 3.35 H new ATOM 1166 N PHE A 73 18.384 28.514 6.173 1.00 5.39 N ATOM 1167 CA PHE A 73 17.756 28.610 4.826 1.00 6.90 C ATOM 1168 C PHE A 73 18.405 27.617 3.856 1.00 7.16 C ATOM 1169 O PHE A 73 19.309 27.970 3.125 1.00 14.07 O ATOM 1170 CB PHE A 73 17.964 30.018 4.269 1.00 6.44 C ATOM 1171 CG PHE A 73 17.016 30.985 4.932 1.00 9.57 C ATOM 1172 CD1 PHE A 73 15.750 31.212 4.380 1.00 12.42 C ATOM 1173 CD2 PHE A 73 17.407 31.664 6.090 1.00 3.78 C ATOM 1174 CE1 PHE A 73 14.874 32.118 4.988 1.00 11.45 C ATOM 1175 CE2 PHE A 73 16.533 32.571 6.696 1.00 6.98 C ATOM 1176 CZ PHE A 73 15.266 32.798 6.146 1.00 7.54 C ATOM 0 H PHE A 73 19.383 28.307 6.169 1.00 5.39 H new ATOM 0 HA PHE A 73 16.694 28.384 4.927 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.994 30.335 4.436 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.801 30.019 3.191 1.00 6.44 H new ATOM 0 HD1 PHE A 73 15.449 30.688 3.485 1.00 12.42 H new ATOM 0 HD2 PHE A 73 18.384 31.488 6.516 1.00 3.78 H new ATOM 0 HE1 PHE A 73 13.896 32.292 4.564 1.00 11.45 H new ATOM 0 HE2 PHE A 73 16.836 33.097 7.589 1.00 6.98 H new ATOM 0 HZ PHE A 73 14.591 33.498 6.616 1.00 7.54 H new ATOM 1186 N ILE A 74 17.940 26.398 3.794 1.00 5.91 N ATOM 1187 CA ILE A 74 18.543 25.456 2.809 1.00 7.08 C ATOM 1188 C ILE A 74 18.077 25.931 1.436 1.00 8.52 C ATOM 1189 O ILE A 74 16.913 25.832 1.104 1.00 6.64 O ATOM 1190 CB ILE A 74 18.057 24.020 3.054 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.795 23.420 4.254 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.347 23.166 1.818 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.704 24.374 5.439 1.00 9.34 C ATOM 0 H ILE A 74 17.186 26.020 4.368 1.00 5.91 H new ATOM 0 HA ILE A 74 19.630 25.447 2.893 1.00 7.08 H new ATOM 0 HB ILE A 74 16.985 24.036 3.253 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.360 22.456 4.516 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.839 23.240 3.999 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.002 22.147 1.991 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.826 23.584 0.957 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.420 23.158 1.625 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.230 23.945 6.292 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.160 25.328 5.174 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.657 24.532 5.700 1.00 9.34 H new ATOM 1205 N GLY A 75 18.950 26.501 0.656 1.00 9.27 N ATOM 1206 CA GLY A 75 18.499 27.032 -0.654 1.00 9.68 C ATOM 1207 C GLY A 75 17.588 28.220 -0.350 1.00 12.42 C ATOM 1208 O GLY A 75 17.696 28.829 0.696 1.00 11.15 O ATOM 0 H GLY A 75 19.941 26.620 0.866 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.350 27.341 -1.261 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.965 26.268 -1.219 1.00 9.68 H new ATOM 1212 N LYS A 76 16.682 28.556 -1.220 1.00 14.40 N ATOM 1213 CA LYS A 76 15.778 29.700 -0.914 1.00 16.68 C ATOM 1214 C LYS A 76 14.623 29.211 -0.032 1.00 16.27 C ATOM 1215 O LYS A 76 13.786 29.981 0.392 1.00 14.00 O ATOM 1216 CB LYS A 76 15.219 30.277 -2.215 1.00 23.46 C ATOM 1217 CG LYS A 76 16.374 30.779 -3.083 1.00 30.10 C ATOM 1218 CD LYS A 76 15.828 31.639 -4.231 1.00 38.66 C ATOM 1219 CE LYS A 76 15.261 32.955 -3.685 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.321 33.997 -4.748 1.00 44.86 N ATOM 0 H LYS A 76 16.527 28.097 -2.118 1.00 14.40 H new ATOM 0 HA LYS A 76 16.337 30.474 -0.389 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.651 29.515 -2.750 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.531 31.094 -1.998 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.068 31.362 -2.478 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.933 29.934 -3.484 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.622 31.847 -4.949 1.00 38.66 H new ATOM 0 HD3 LYS A 76 15.050 31.094 -4.765 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.231 32.812 -3.358 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.831 33.276 -2.813 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 14.937 34.891 -4.380 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 16.309 34.139 -5.040 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 14.759 33.690 -5.567 1.00 44.86 H new ATOM 1234 N ASP A 77 14.570 27.932 0.240 1.00 0.00 N ATOM 1235 CA ASP A 77 13.465 27.385 1.088 1.00 0.00 C ATOM 1236 C ASP A 77 13.859 27.411 2.570 1.00 0.00 C ATOM 1237 O ASP A 77 14.789 26.747 2.985 1.00 0.00 O ATOM 1238 CB ASP A 77 13.177 25.941 0.674 1.00 0.00 C ATOM 1239 CG ASP A 77 13.081 25.857 -0.850 1.00 0.00 C ATOM 1240 OD1 ASP A 77 14.114 25.932 -1.494 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.975 25.720 -1.347 1.00 0.00 O ATOM 0 H ASP A 77 15.245 27.241 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 77 12.578 28.002 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.967 25.283 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.246 25.600 1.127 1.00 0.00 H new ATOM 1246 N SER A 78 13.150 28.158 3.376 1.00 0.00 N ATOM 1247 CA SER A 78 13.479 28.205 4.832 1.00 0.00 C ATOM 1248 C SER A 78 13.060 26.889 5.490 1.00 0.00 C ATOM 1249 O SER A 78 12.150 26.226 5.037 1.00 0.00 O ATOM 1250 CB SER A 78 12.725 29.355 5.497 1.00 0.00 C ATOM 1251 OG SER A 78 13.046 29.384 6.882 1.00 0.00 O ATOM 0 H SER A 78 12.360 28.736 3.090 1.00 0.00 H new ATOM 0 HA SER A 78 14.552 28.356 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.995 30.302 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.651 29.228 5.363 1.00 0.00 H new ATOM 0 HG SER A 78 12.566 30.121 7.314 1.00 0.00 H new ATOM 1257 N ILE A 79 13.707 26.508 6.563 1.00 14.84 N ATOM 1258 CA ILE A 79 13.326 25.237 7.251 1.00 16.24 C ATOM 1259 C ILE A 79 12.745 25.554 8.631 1.00 13.64 C ATOM 1260 O ILE A 79 11.917 24.828 9.145 1.00 15.36 O ATOM 1261 CB ILE A 79 14.553 24.330 7.399 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.704 25.087 8.086 1.00 18.59 C ATOM 1263 CG2 ILE A 79 15.003 23.865 6.013 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.549 24.104 8.908 1.00 20.45 C ATOM 0 H ILE A 79 14.479 27.020 6.991 1.00 14.84 H new ATOM 0 HA ILE A 79 12.575 24.720 6.654 1.00 16.24 H new ATOM 0 HB ILE A 79 14.286 23.470 8.013 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.326 25.580 7.339 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.304 25.868 8.733 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.876 23.219 6.111 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.195 23.312 5.534 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.260 24.732 5.404 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.363 24.642 9.394 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.924 23.632 9.666 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.961 23.339 8.249 1.00 20.45 H new ATOM 1276 N GLY A 80 13.167 26.634 9.235 1.00 12.42 N ATOM 1277 CA GLY A 80 12.632 26.997 10.580 1.00 13.73 C ATOM 1278 C GLY A 80 13.754 27.592 11.430 1.00 12.94 C ATOM 1279 O GLY A 80 14.531 28.403 10.967 1.00 13.82 O ATOM 0 H GLY A 80 13.859 27.280 8.855 1.00 12.42 H new ATOM 0 HA2 GLY A 80 11.818 27.715 10.478 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.219 26.115 11.069 1.00 13.73 H new ATOM 1283 N GLY A 81 13.844 27.194 12.671 1.00 12.24 N ATOM 1284 CA GLY A 81 14.915 27.732 13.560 1.00 10.24 C ATOM 1285 C GLY A 81 15.862 26.599 13.961 1.00 11.98 C ATOM 1286 O GLY A 81 16.119 25.695 13.192 1.00 12.42 O ATOM 0 H GLY A 81 13.219 26.517 13.109 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.468 28.518 13.046 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.473 28.182 14.449 1.00 10.24 H new ATOM 1290 N SER A 82 16.386 26.641 15.155 1.00 0.00 N ATOM 1291 CA SER A 82 17.320 25.565 15.594 1.00 0.00 C ATOM 1292 C SER A 82 16.544 24.270 15.828 1.00 0.00 C ATOM 1293 O SER A 82 16.825 23.251 15.233 1.00 0.00 O ATOM 1294 CB SER A 82 18.012 25.984 16.892 1.00 0.00 C ATOM 1295 OG SER A 82 18.211 24.840 17.713 1.00 0.00 O ATOM 0 H SER A 82 16.209 27.372 15.844 1.00 0.00 H new ATOM 0 HA SER A 82 18.068 25.403 14.818 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.969 26.457 16.670 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.406 26.722 17.418 1.00 0.00 H new ATOM 0 HG SER A 82 17.744 24.964 18.565 1.00 0.00 H new ATOM 1301 N SER A 83 15.574 24.306 16.693 1.00 0.00 N ATOM 1302 CA SER A 83 14.776 23.079 16.975 1.00 0.00 C ATOM 1303 C SER A 83 14.254 22.505 15.660 1.00 0.00 C ATOM 1304 O SER A 83 14.029 21.319 15.532 1.00 0.00 O ATOM 1305 CB SER A 83 13.598 23.432 17.884 1.00 0.00 C ATOM 1306 OG SER A 83 12.634 22.389 17.829 1.00 0.00 O ATOM 0 H SER A 83 15.296 25.134 17.220 1.00 0.00 H new ATOM 0 HA SER A 83 15.405 22.340 17.472 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.943 23.570 18.909 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.150 24.374 17.569 1.00 0.00 H new ATOM 0 HG SER A 83 11.878 22.611 18.412 1.00 0.00 H new ATOM 1312 N ASP A 84 14.067 23.340 14.679 1.00 12.98 N ATOM 1313 CA ASP A 84 13.570 22.849 13.364 1.00 14.53 C ATOM 1314 C ASP A 84 14.699 22.104 12.649 1.00 11.28 C ATOM 1315 O ASP A 84 14.525 21.003 12.165 1.00 12.09 O ATOM 1316 CB ASP A 84 13.114 24.037 12.511 1.00 17.72 C ATOM 1317 CG ASP A 84 12.143 23.552 11.431 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.546 22.730 10.625 1.00 21.94 O ATOM 1319 OD2 ASP A 84 11.012 24.011 11.430 1.00 27.06 O ATOM 0 H ASP A 84 14.237 24.344 14.730 1.00 12.98 H new ATOM 0 HA ASP A 84 12.727 22.175 13.518 1.00 14.53 H new ATOM 0 HB2 ASP A 84 12.630 24.785 13.140 1.00 17.72 H new ATOM 0 HB3 ASP A 84 13.976 24.518 12.049 1.00 17.72 H new ATOM 1324 N LEU A 85 15.858 22.701 12.580 1.00 11.34 N ATOM 1325 CA LEU A 85 17.006 22.035 11.898 1.00 11.04 C ATOM 1326 C LEU A 85 17.203 20.634 12.478 1.00 12.09 C ATOM 1327 O LEU A 85 17.125 19.643 11.781 1.00 11.43 O ATOM 1328 CB LEU A 85 18.285 22.851 12.130 1.00 9.45 C ATOM 1329 CG LEU A 85 19.337 22.497 11.065 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.598 23.339 11.288 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.705 21.011 11.166 1.00 15.31 C ATOM 0 H LEU A 85 16.060 23.623 12.967 1.00 11.34 H new ATOM 0 HA LEU A 85 16.797 21.968 10.830 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.059 23.916 12.089 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.680 22.647 13.125 1.00 9.45 H new ATOM 0 HG LEU A 85 18.923 22.703 10.078 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.342 23.087 10.533 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.347 24.397 11.211 1.00 12.34 H new ATOM 0 HD13 LEU A 85 21.003 23.133 12.279 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.450 20.768 10.409 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.112 20.803 12.155 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.814 20.404 11.006 1.00 15.31 H new ATOM 1343 N VAL A 86 17.478 20.548 13.748 1.00 0.00 N ATOM 1344 CA VAL A 86 17.707 19.211 14.366 1.00 0.00 C ATOM 1345 C VAL A 86 16.556 18.269 14.006 1.00 0.00 C ATOM 1346 O VAL A 86 16.777 17.163 13.567 1.00 0.00 O ATOM 1347 CB VAL A 86 17.819 19.347 15.897 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.294 19.310 16.307 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.200 20.674 16.355 1.00 0.00 C ATOM 0 H VAL A 86 17.554 21.342 14.384 1.00 0.00 H new ATOM 0 HA VAL A 86 18.639 18.797 13.981 1.00 0.00 H new ATOM 0 HB VAL A 86 17.284 18.521 16.366 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.373 19.406 17.390 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.735 18.364 15.994 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.825 20.134 15.830 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.284 20.760 17.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.727 21.503 15.883 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.148 20.703 16.070 1.00 0.00 H new ATOM 1359 N SER A 87 15.334 18.687 14.177 1.00 14.12 N ATOM 1360 CA SER A 87 14.195 17.786 13.836 1.00 14.37 C ATOM 1361 C SER A 87 14.403 17.188 12.439 1.00 13.29 C ATOM 1362 O SER A 87 14.267 15.998 12.237 1.00 11.18 O ATOM 1363 CB SER A 87 12.888 18.585 13.857 1.00 13.30 C ATOM 1364 OG SER A 87 11.800 17.697 14.082 1.00 21.79 O ATOM 0 H SER A 87 15.074 19.606 14.535 1.00 14.12 H new ATOM 0 HA SER A 87 14.145 16.980 14.568 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.923 19.342 14.641 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.754 19.111 12.912 1.00 13.30 H new ATOM 0 HG SER A 87 10.962 18.204 14.098 1.00 21.79 H new ATOM 1370 N LEU A 88 14.720 18.004 11.472 1.00 0.00 N ATOM 1371 CA LEU A 88 14.922 17.486 10.087 1.00 0.00 C ATOM 1372 C LEU A 88 16.202 16.647 9.996 1.00 0.00 C ATOM 1373 O LEU A 88 16.246 15.646 9.310 1.00 0.00 O ATOM 1374 CB LEU A 88 15.037 18.665 9.121 1.00 0.00 C ATOM 1375 CG LEU A 88 13.809 19.568 9.257 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.016 20.833 8.423 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.563 18.828 8.758 1.00 0.00 C ATOM 0 H LEU A 88 14.848 19.010 11.580 1.00 0.00 H new ATOM 0 HA LEU A 88 14.070 16.858 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.943 19.233 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.121 18.301 8.097 1.00 0.00 H new ATOM 0 HG LEU A 88 13.673 19.836 10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.143 21.478 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.899 21.363 8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.154 20.560 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.691 19.475 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.696 18.556 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.414 17.926 9.351 1.00 0.00 H new ATOM 1389 N GLN A 89 17.250 17.061 10.650 1.00 0.00 N ATOM 1390 CA GLN A 89 18.531 16.301 10.564 1.00 0.00 C ATOM 1391 C GLN A 89 18.353 14.875 11.099 1.00 0.00 C ATOM 1392 O GLN A 89 18.615 13.911 10.407 1.00 0.00 O ATOM 1393 CB GLN A 89 19.604 17.025 11.384 1.00 0.00 C ATOM 1394 CG GLN A 89 20.997 16.609 10.898 1.00 0.00 C ATOM 1395 CD GLN A 89 21.148 15.090 10.990 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.098 14.527 12.066 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.334 14.397 9.899 1.00 0.00 N ATOM 0 H GLN A 89 17.277 17.892 11.241 1.00 0.00 H new ATOM 0 HA GLN A 89 18.836 16.243 9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.482 18.104 11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.491 16.785 12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.145 16.936 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.763 17.097 11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.376 14.869 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.437 13.384 9.950 1.00 0.00 H new ATOM 1406 N GLN A 90 17.928 14.727 12.323 1.00 0.00 N ATOM 1407 CA GLN A 90 17.759 13.352 12.881 1.00 0.00 C ATOM 1408 C GLN A 90 16.703 12.607 12.069 1.00 0.00 C ATOM 1409 O GLN A 90 16.679 11.393 12.021 1.00 0.00 O ATOM 1410 CB GLN A 90 17.342 13.408 14.364 1.00 0.00 C ATOM 1411 CG GLN A 90 17.000 14.841 14.770 1.00 0.00 C ATOM 1412 CD GLN A 90 16.648 14.885 16.257 1.00 0.00 C ATOM 1413 OE1 GLN A 90 15.945 14.028 16.754 1.00 0.00 O ATOM 1414 NE2 GLN A 90 17.112 15.858 16.993 1.00 0.00 N ATOM 0 H GLN A 90 17.692 15.490 12.958 1.00 0.00 H new ATOM 0 HA GLN A 90 18.712 12.826 12.818 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.481 12.761 14.530 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.150 13.030 14.990 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.845 15.498 14.567 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.162 15.207 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.702 16.577 16.575 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.884 15.899 17.986 1.00 0.00 H new ATOM 1423 N SER A 91 15.832 13.327 11.429 1.00 0.00 N ATOM 1424 CA SER A 91 14.773 12.667 10.613 1.00 0.00 C ATOM 1425 C SER A 91 15.344 12.288 9.245 1.00 0.00 C ATOM 1426 O SER A 91 14.840 11.412 8.570 1.00 0.00 O ATOM 1427 CB SER A 91 13.599 13.627 10.430 1.00 0.00 C ATOM 1428 OG SER A 91 12.854 13.693 11.639 1.00 0.00 O ATOM 0 H SER A 91 15.804 14.347 11.433 1.00 0.00 H new ATOM 0 HA SER A 91 14.429 11.767 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.963 14.618 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.961 13.288 9.614 1.00 0.00 H new ATOM 0 HG SER A 91 13.122 14.488 12.146 1.00 0.00 H new ATOM 1434 N GLY A 92 16.399 12.937 8.837 1.00 19.34 N ATOM 1435 CA GLY A 92 17.017 12.614 7.518 1.00 19.37 C ATOM 1436 C GLY A 92 16.391 13.479 6.425 1.00 22.29 C ATOM 1437 O GLY A 92 16.866 13.521 5.307 1.00 25.64 O ATOM 0 H GLY A 92 16.862 13.680 9.361 1.00 19.34 H new ATOM 0 HA2 GLY A 92 18.093 12.786 7.559 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.871 11.559 7.287 1.00 19.37 H new ATOM 1441 N GLU A 93 15.329 14.169 6.733 1.00 22.54 N ATOM 1442 CA GLU A 93 14.682 15.026 5.706 1.00 24.53 C ATOM 1443 C GLU A 93 15.608 16.196 5.363 1.00 23.48 C ATOM 1444 O GLU A 93 15.616 16.693 4.255 1.00 22.85 O ATOM 1445 CB GLU A 93 13.357 15.569 6.248 1.00 27.50 C ATOM 1446 CG GLU A 93 12.781 16.577 5.252 1.00 36.43 C ATOM 1447 CD GLU A 93 11.302 16.820 5.561 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.998 17.135 6.699 1.00 50.26 O ATOM 1449 OE2 GLU A 93 10.498 16.688 4.652 1.00 42.86 O ATOM 0 H GLU A 93 14.883 14.176 7.650 1.00 22.54 H new ATOM 0 HA GLU A 93 14.491 14.435 4.810 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.653 14.752 6.405 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.514 16.045 7.216 1.00 27.50 H new ATOM 0 HG2 GLU A 93 13.333 17.515 5.309 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.893 16.202 4.235 1.00 36.43 H new ATOM 1456 N LEU A 94 16.381 16.645 6.311 1.00 24.17 N ATOM 1457 CA LEU A 94 17.301 17.789 6.048 1.00 22.19 C ATOM 1458 C LEU A 94 18.246 17.458 4.898 1.00 22.62 C ATOM 1459 O LEU A 94 18.271 18.132 3.888 1.00 21.76 O ATOM 1460 CB LEU A 94 18.124 18.073 7.302 1.00 23.15 C ATOM 1461 CG LEU A 94 18.712 19.491 7.232 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.667 20.518 7.690 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.947 19.577 8.140 1.00 21.18 C ATOM 0 H LEU A 94 16.417 16.269 7.259 1.00 24.17 H new ATOM 0 HA LEU A 94 16.707 18.663 5.781 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.498 17.973 8.189 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.927 17.341 7.394 1.00 23.15 H new ATOM 0 HG LEU A 94 18.997 19.709 6.203 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.094 21.520 7.637 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.792 20.461 7.042 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.372 20.304 8.717 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.365 20.582 8.091 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.660 19.353 9.167 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.694 18.857 7.807 1.00 21.18 H new ATOM 1475 N LEU A 95 19.036 16.433 5.047 1.00 0.00 N ATOM 1476 CA LEU A 95 19.990 16.082 3.963 1.00 0.00 C ATOM 1477 C LEU A 95 19.210 15.899 2.671 1.00 0.00 C ATOM 1478 O LEU A 95 19.685 16.190 1.592 1.00 0.00 O ATOM 1479 CB LEU A 95 20.735 14.791 4.337 1.00 0.00 C ATOM 1480 CG LEU A 95 19.988 13.551 3.815 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.309 13.320 2.326 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.424 12.325 4.622 1.00 0.00 C ATOM 0 H LEU A 95 19.062 15.827 5.867 1.00 0.00 H new ATOM 0 HA LEU A 95 20.725 16.876 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.742 14.815 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.839 14.728 5.420 1.00 0.00 H new ATOM 0 HG LEU A 95 18.915 13.710 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.774 12.440 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.000 14.191 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.381 13.166 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.898 11.443 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.498 12.179 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.187 12.479 5.675 1.00 0.00 H new ATOM 1494 N THR A 96 18.008 15.433 2.780 1.00 15.75 N ATOM 1495 CA THR A 96 17.181 15.247 1.561 1.00 17.89 C ATOM 1496 C THR A 96 16.939 16.621 0.943 1.00 14.96 C ATOM 1497 O THR A 96 17.061 16.807 -0.248 1.00 17.84 O ATOM 1498 CB THR A 96 15.851 14.582 1.933 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.985 13.174 1.807 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.731 15.071 1.009 1.00 28.03 C ATOM 0 H THR A 96 17.559 15.172 3.658 1.00 15.75 H new ATOM 0 HA THR A 96 17.691 14.603 0.845 1.00 17.89 H new ATOM 0 HB THR A 96 15.597 14.844 2.960 1.00 19.42 H new ATOM 0 HG1 THR A 96 15.138 12.742 2.045 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.794 14.589 1.287 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.626 16.152 1.105 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.976 14.821 -0.023 1.00 28.03 H new ATOM 1508 N ARG A 97 16.610 17.589 1.756 1.00 12.39 N ATOM 1509 CA ARG A 97 16.368 18.960 1.231 1.00 13.82 C ATOM 1510 C ARG A 97 17.659 19.458 0.581 1.00 14.98 C ATOM 1511 O ARG A 97 17.643 20.116 -0.438 1.00 16.48 O ATOM 1512 CB ARG A 97 15.969 19.878 2.399 1.00 18.70 C ATOM 1513 CG ARG A 97 14.803 20.792 1.998 1.00 27.27 C ATOM 1514 CD ARG A 97 14.099 21.296 3.261 1.00 36.05 C ATOM 1515 NE ARG A 97 13.302 22.515 2.947 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.370 22.910 3.772 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.129 22.227 4.858 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.677 23.986 3.513 1.00 40.96 N ATOM 0 H ARG A 97 16.499 17.487 2.765 1.00 12.39 H new ATOM 0 HA ARG A 97 15.565 18.959 0.494 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.685 19.275 3.261 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.824 20.483 2.701 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.171 21.634 1.412 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.099 20.248 1.368 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.448 20.518 3.659 1.00 36.05 H new ATOM 0 HD3 ARG A 97 14.835 21.521 4.033 1.00 36.05 H new ATOM 0 HE ARG A 97 13.484 23.039 2.091 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.668 21.386 5.062 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.401 22.535 5.503 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.863 24.520 2.664 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.950 24.292 4.159 1.00 40.96 H new ATOM 1532 N LEU A 98 18.779 19.130 1.156 1.00 12.44 N ATOM 1533 CA LEU A 98 20.074 19.549 0.568 1.00 12.45 C ATOM 1534 C LEU A 98 20.312 18.733 -0.709 1.00 14.25 C ATOM 1535 O LEU A 98 20.902 19.197 -1.664 1.00 12.19 O ATOM 1536 CB LEU A 98 21.190 19.258 1.580 1.00 13.23 C ATOM 1537 CG LEU A 98 21.275 20.380 2.623 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.147 20.225 3.645 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.620 20.297 3.347 1.00 15.05 C ATOM 0 H LEU A 98 18.851 18.585 2.015 1.00 12.44 H new ATOM 0 HA LEU A 98 20.064 20.613 0.331 1.00 12.45 H new ATOM 0 HB2 LEU A 98 21.000 18.306 2.076 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.144 19.163 1.061 1.00 13.23 H new ATOM 0 HG LEU A 98 21.181 21.343 2.122 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.212 21.024 4.383 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.185 20.279 3.136 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.239 19.261 4.145 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.684 21.093 4.089 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.707 19.331 3.843 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.429 20.408 2.625 1.00 15.05 H new ATOM 1551 N LYS A 99 19.866 17.506 -0.705 1.00 0.00 N ATOM 1552 CA LYS A 99 20.059 16.606 -1.881 1.00 0.00 C ATOM 1553 C LYS A 99 19.285 17.109 -3.111 1.00 0.00 C ATOM 1554 O LYS A 99 19.852 17.301 -4.168 1.00 0.00 O ATOM 1555 CB LYS A 99 19.563 15.206 -1.510 1.00 0.00 C ATOM 1556 CG LYS A 99 20.181 14.169 -2.452 1.00 0.00 C ATOM 1557 CD LYS A 99 19.422 12.842 -2.324 1.00 0.00 C ATOM 1558 CE LYS A 99 18.229 12.833 -3.283 1.00 0.00 C ATOM 1559 NZ LYS A 99 17.488 11.550 -3.136 1.00 0.00 N ATOM 0 H LYS A 99 19.367 17.081 0.077 1.00 0.00 H new ATOM 0 HA LYS A 99 21.119 16.589 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.830 14.978 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.476 15.167 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.139 14.526 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.233 14.023 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.088 12.009 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.077 12.707 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.569 13.674 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.573 12.952 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.677 11.541 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.121 10.756 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.148 11.455 -2.158 1.00 0.00 H new ATOM 1573 N GLN A 100 17.994 17.288 -2.998 1.00 18.17 N ATOM 1574 CA GLN A 100 17.197 17.736 -4.181 1.00 18.02 C ATOM 1575 C GLN A 100 17.872 18.931 -4.862 1.00 18.05 C ATOM 1576 O GLN A 100 17.799 19.082 -6.065 1.00 19.19 O ATOM 1577 CB GLN A 100 15.774 18.122 -3.744 1.00 20.45 C ATOM 1578 CG GLN A 100 15.794 18.642 -2.305 1.00 29.25 C ATOM 1579 CD GLN A 100 14.596 19.565 -2.066 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.499 20.621 -2.660 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.673 19.207 -1.215 1.00 38.64 N ATOM 0 H GLN A 100 17.458 17.144 -2.142 1.00 18.17 H new ATOM 0 HA GLN A 100 17.143 16.912 -4.892 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.374 18.886 -4.411 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.114 17.257 -3.818 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.764 17.806 -1.607 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.722 19.181 -2.117 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.755 18.321 -0.717 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.870 19.814 -1.048 1.00 38.64 H new ATOM 1590 N ILE A 101 18.526 19.783 -4.117 1.00 0.00 N ATOM 1591 CA ILE A 101 19.193 20.959 -4.748 1.00 0.00 C ATOM 1592 C ILE A 101 20.694 20.690 -4.874 1.00 0.00 C ATOM 1593 O ILE A 101 21.414 21.425 -5.522 1.00 0.00 O ATOM 1594 CB ILE A 101 18.954 22.201 -3.892 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.459 21.953 -2.470 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.454 22.508 -3.852 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.135 23.167 -1.595 1.00 0.00 C ATOM 0 H ILE A 101 18.627 19.716 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 101 18.777 21.125 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 101 19.491 23.046 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.992 21.059 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.534 21.775 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.280 23.394 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.092 22.688 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.921 21.661 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.495 22.991 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.623 24.051 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.057 23.324 -1.575 1.00 0.00 H new ATOM 1609 N GLY A 102 21.168 19.634 -4.275 1.00 11.15 N ATOM 1610 CA GLY A 102 22.620 19.306 -4.376 1.00 12.21 C ATOM 1611 C GLY A 102 23.441 20.244 -3.491 1.00 14.73 C ATOM 1612 O GLY A 102 24.494 20.712 -3.879 1.00 18.54 O ATOM 0 H GLY A 102 20.614 18.983 -3.719 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.788 18.272 -4.075 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.948 19.393 -5.412 1.00 12.21 H new ATOM 1616 N ALA A 103 22.978 20.518 -2.307 1.00 10.84 N ATOM 1617 CA ALA A 103 23.746 21.422 -1.401 1.00 9.88 C ATOM 1618 C ALA A 103 24.789 20.603 -0.640 1.00 9.21 C ATOM 1619 O ALA A 103 25.715 21.136 -0.061 1.00 7.47 O ATOM 1620 CB ALA A 103 22.790 22.081 -0.406 1.00 4.30 C ATOM 0 H ALA A 103 22.104 20.158 -1.925 1.00 10.84 H new ATOM 0 HA ALA A 103 24.243 22.194 -1.989 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.351 22.741 0.255 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.043 22.661 -0.948 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.293 21.312 0.185 1.00 4.30 H new ATOM 1626 N LEU A 104 24.645 19.306 -0.645 1.00 0.00 N ATOM 1627 CA LEU A 104 25.624 18.432 0.067 1.00 0.00 C ATOM 1628 C LEU A 104 26.650 17.892 -0.936 1.00 0.00 C ATOM 1629 O LEU A 104 26.673 18.284 -2.086 1.00 0.00 O ATOM 1630 CB LEU A 104 24.882 17.266 0.738 1.00 0.00 C ATOM 1631 CG LEU A 104 24.001 16.522 -0.285 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.750 15.307 -0.838 1.00 0.00 C ATOM 1633 CD2 LEU A 104 22.714 16.045 0.396 1.00 0.00 C ATOM 0 H LEU A 104 23.887 18.810 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 104 26.141 19.011 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.601 16.575 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.264 17.642 1.553 1.00 0.00 H new ATOM 0 HG LEU A 104 23.760 17.203 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 104 24.119 14.788 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 104 25.666 15.636 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 104 24.999 14.630 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 104 22.092 15.519 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.964 15.372 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 104 22.169 16.904 0.786 1.00 0.00 H new ATOM 1645 N GLN A 105 27.502 16.995 -0.511 1.00 0.00 N ATOM 1646 CA GLN A 105 28.526 16.435 -1.439 1.00 0.00 C ATOM 1647 C GLN A 105 27.879 15.394 -2.355 1.00 0.00 C ATOM 1648 O GLN A 105 27.366 15.784 -3.391 1.00 0.00 O ATOM 1649 CB GLN A 105 29.636 15.769 -0.622 1.00 0.00 C ATOM 1650 CG GLN A 105 30.526 16.840 0.008 1.00 0.00 C ATOM 1651 CD GLN A 105 31.814 16.195 0.520 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.371 15.329 -0.125 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.313 16.582 1.662 1.00 0.00 N ATOM 1654 OXT GLN A 105 27.907 14.226 -2.004 1.00 0.00 O ATOM 0 H GLN A 105 27.532 16.627 0.440 1.00 0.00 H new ATOM 0 HA GLN A 105 28.944 17.239 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.201 15.140 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.231 15.118 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.760 17.612 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.000 17.329 0.828 1.00 0.00 H new ATOM 0 HE21 GLN A 105 31.845 17.309 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.171 16.157 2.014 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.383 27.253 19.258 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.145 28.541 18.551 1.00 0.00 C HETATM 1666 C1 GSH A 106 13.753 28.257 17.101 1.00 0.00 C HETATM 1667 O11 GSH A 106 12.986 29.030 16.553 1.00 0.00 O HETATM 1668 O12 GSH A 106 14.226 27.268 16.565 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.423 29.385 18.583 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.768 29.745 20.035 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.054 31.243 20.153 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.674 31.841 19.297 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.641 31.843 21.232 1.00 0.00 N HETATM 1674 CA2 GSH A 106 15.968 33.279 21.459 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.341 34.142 20.357 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.428 33.823 19.189 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.493 33.465 21.452 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.308 31.874 21.743 1.00 0.00 S HETATM 1679 N3 GSH A 106 14.972 35.348 20.696 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.599 36.340 19.648 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.552 37.737 20.270 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.455 38.202 20.533 1.00 0.00 O HETATM 1683 O32 GSH A 106 15.602 38.213 20.669 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.655 27.254 20.241 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.274 26.370 18.759 1.00 0.00 H new HETATM 0 HG13 GSH A 106 14.942 29.472 20.691 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.637 29.174 20.362 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.813 33.878 20.496 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.785 34.179 22.222 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.246 28.833 18.129 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.286 30.293 17.996 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.323 36.316 18.834 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.629 36.087 19.220 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.939 35.612 21.681 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.093 31.330 21.923 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.566 33.588 22.424 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.341 29.086 19.045 1.00 0.00 H new