USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 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 90 GLN : amide:sc= -8.17! C(o=-8.3!,f=-7.4!) USER MOD Set 1.2: A 91 SER OG : rot 126:sc= -0.0961 USER MOD Set 2.1: A 6 ASN : amide:sc= -0.816 K(o=-0.4,f=-1.6!) USER MOD Set 2.2: A 59 TYR OH : rot 94:sc= 0.413 USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= 0.0287 USER MOD Set 3.2: A 54 ASN : amide:sc= -0.974! C(o=-0.95!,f=-5!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.071) USER MOD Single : A 7 SER OG : rot 112:sc= 1.03 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.141 (180deg=-0.916) USER MOD Single : A 10 GLN : amide:sc= -0.0203 K(o=-0.02,f=-0.63) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -44:sc= -0.291! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -130:sc= -0.939 USER MOD Single : A 29 GLN : amide:sc= -9.57! C(o=-9.6!,f=-10!) USER MOD Single : A 33 SER OG : rot 88:sc= 0.86 USER MOD Single : A 34 GLN : amide:sc= -0.645 K(o=-0.64,f=-0.11) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.11) USER MOD Single : A 48 THR OG1 : rot -31:sc= 0.0484 USER MOD Single : A 50 THR OG1 : rot -44:sc= 0.403 USER MOD Single : A 51 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.83) USER MOD Single : A 52 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.84) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 61 GLN : amide:sc= -3.5! C(o=-3.5!,f=-7.9!) USER MOD Single : A 62 GLN : amide:sc= -2.15! C(o=-2.1!,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot -113:sc= -2.42! USER MOD Single : A 68 THR OG1 : rot 157:sc= -0.643 USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= -3.06 (180deg=-4.03!) USER MOD Single : A 78 SER OG : rot -120:sc=-0.00844 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00805 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= -2.55! C(o=-2.6!,f=-2.5!) 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= -0.441 K(o=-0.44,f=-1.8!) USER MOD Single : A 105 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.609 46.171 4.441 1.00 18.33 N ATOM 2 CA ALA A 1 17.333 44.873 4.333 1.00 16.52 C ATOM 3 C ALA A 1 17.004 44.207 2.998 1.00 15.03 C ATOM 4 O ALA A 1 17.821 44.175 2.101 1.00 16.00 O ATOM 5 CB ALA A 1 16.904 43.967 5.483 1.00 17.21 C ATOM 0 H1 ALA A 1 16.836 46.620 5.351 1.00 18.33 H new ATOM 0 H2 ALA A 1 16.901 46.797 3.663 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.584 46.003 4.384 1.00 18.33 H new ATOM 0 HA ALA A 1 18.408 45.047 4.385 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.429 43.015 5.411 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.146 44.445 6.432 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.829 43.794 5.428 1.00 17.21 H new ATOM 13 N GLN A 2 15.816 43.676 2.868 1.00 14.70 N ATOM 14 CA GLN A 2 15.414 43.006 1.588 1.00 14.58 C ATOM 15 C GLN A 2 16.627 42.389 0.875 1.00 12.38 C ATOM 16 O GLN A 2 16.921 41.221 1.042 1.00 12.11 O ATOM 17 CB GLN A 2 14.769 44.041 0.661 1.00 17.38 C ATOM 18 CG GLN A 2 13.576 44.701 1.365 1.00 22.60 C ATOM 19 CD GLN A 2 12.630 45.287 0.314 1.00 24.11 C ATOM 20 OE1 GLN A 2 11.507 45.632 0.619 1.00 29.77 O ATOM 21 NE2 GLN A 2 13.037 45.408 -0.921 1.00 23.75 N ATOM 0 H GLN A 2 15.101 43.676 3.595 1.00 14.70 H new ATOM 0 HA GLN A 2 14.710 42.209 1.827 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.502 44.798 0.381 1.00 17.38 H new ATOM 0 HB3 GLN A 2 14.439 43.561 -0.260 1.00 17.38 H new ATOM 0 HG2 GLN A 2 13.049 43.969 1.977 1.00 22.60 H new ATOM 0 HG3 GLN A 2 13.924 45.486 2.036 1.00 22.60 H new ATOM 0 HE21 GLN A 2 13.981 45.118 -1.178 1.00 23.75 H new ATOM 0 HE22 GLN A 2 12.411 45.792 -1.629 1.00 23.75 H new ATOM 30 N GLU A 3 17.319 43.156 0.067 1.00 0.00 N ATOM 31 CA GLU A 3 18.491 42.606 -0.675 1.00 0.00 C ATOM 32 C GLU A 3 19.500 42.004 0.299 1.00 0.00 C ATOM 33 O GLU A 3 20.425 41.324 -0.102 1.00 0.00 O ATOM 34 CB GLU A 3 19.166 43.730 -1.474 1.00 0.00 C ATOM 35 CG GLU A 3 19.888 44.692 -0.525 1.00 0.00 C ATOM 36 CD GLU A 3 20.286 45.950 -1.301 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.438 45.851 -2.507 1.00 0.00 O ATOM 38 OE2 GLU A 3 20.433 46.990 -0.678 1.00 0.00 O ATOM 0 H GLU A 3 17.120 44.141 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 3 18.143 41.827 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.876 43.306 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.420 44.272 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.239 44.954 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.772 44.213 -0.104 1.00 0.00 H new ATOM 45 N PHE A 4 19.346 42.256 1.561 1.00 11.75 N ATOM 46 CA PHE A 4 20.313 41.712 2.549 1.00 10.29 C ATOM 47 C PHE A 4 20.262 40.184 2.569 1.00 10.97 C ATOM 48 O PHE A 4 21.184 39.519 2.142 1.00 7.53 O ATOM 49 CB PHE A 4 19.974 42.255 3.943 1.00 11.72 C ATOM 50 CG PHE A 4 20.837 43.457 4.252 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.807 44.577 3.411 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.662 43.454 5.385 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.603 45.693 3.703 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.457 44.567 5.674 1.00 19.72 C ATOM 55 CZ PHE A 4 22.428 45.688 4.836 1.00 20.03 C ATOM 0 H PHE A 4 18.591 42.817 1.955 1.00 11.75 H new ATOM 0 HA PHE A 4 21.318 42.022 2.264 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.921 42.532 3.989 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.133 41.480 4.693 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.171 44.580 2.538 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.684 42.592 6.035 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.581 46.557 3.055 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.095 44.562 6.546 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.041 46.548 5.062 1.00 20.03 H new ATOM 65 N VAL A 5 19.210 39.619 3.089 1.00 10.96 N ATOM 66 CA VAL A 5 19.133 38.133 3.162 1.00 12.03 C ATOM 67 C VAL A 5 18.848 37.542 1.782 1.00 12.91 C ATOM 68 O VAL A 5 19.403 36.531 1.406 1.00 10.57 O ATOM 69 CB VAL A 5 18.021 37.726 4.136 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.051 38.649 5.356 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.657 37.833 3.445 1.00 9.23 C ATOM 0 H VAL A 5 18.404 40.118 3.465 1.00 10.96 H new ATOM 0 HA VAL A 5 20.090 37.749 3.515 1.00 12.03 H new ATOM 0 HB VAL A 5 18.180 36.695 4.453 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.261 38.361 6.050 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.018 38.565 5.852 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.896 39.679 5.037 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.872 37.542 4.143 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.493 38.861 3.121 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.635 37.172 2.579 1.00 9.23 H new ATOM 81 N ASN A 6 17.981 38.155 1.030 1.00 13.95 N ATOM 82 CA ASN A 6 17.663 37.614 -0.315 1.00 13.93 C ATOM 83 C ASN A 6 18.954 37.455 -1.120 1.00 14.98 C ATOM 84 O ASN A 6 19.105 36.524 -1.886 1.00 13.88 O ATOM 85 CB ASN A 6 16.727 38.584 -1.026 1.00 19.23 C ATOM 86 CG ASN A 6 15.516 38.876 -0.137 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.032 39.990 -0.098 1.00 28.33 O ATOM 88 ND2 ASN A 6 14.999 37.918 0.587 1.00 26.59 N ATOM 0 H ASN A 6 17.480 39.005 1.289 1.00 13.95 H new ATOM 0 HA ASN A 6 17.181 36.641 -0.221 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.254 39.510 -1.256 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.400 38.159 -1.975 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.192 38.107 1.182 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.402 36.982 0.557 1.00 26.59 H new ATOM 95 N SER A 7 19.890 38.352 -0.953 1.00 0.00 N ATOM 96 CA SER A 7 21.168 38.239 -1.708 1.00 0.00 C ATOM 97 C SER A 7 22.026 37.130 -1.094 1.00 0.00 C ATOM 98 O SER A 7 23.012 36.710 -1.664 1.00 0.00 O ATOM 99 CB SER A 7 21.928 39.564 -1.643 1.00 0.00 C ATOM 100 OG SER A 7 21.151 40.584 -2.259 1.00 0.00 O ATOM 0 H SER A 7 19.823 39.155 -0.328 1.00 0.00 H new ATOM 0 HA SER A 7 20.950 38.000 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.136 39.826 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 7 22.890 39.470 -2.147 1.00 0.00 H new ATOM 0 HG SER A 7 20.845 41.219 -1.578 1.00 0.00 H new ATOM 106 N LYS A 8 21.667 36.667 0.074 1.00 13.50 N ATOM 107 CA LYS A 8 22.471 35.598 0.734 1.00 11.83 C ATOM 108 C LYS A 8 21.858 34.221 0.465 1.00 12.94 C ATOM 109 O LYS A 8 22.543 33.299 0.070 1.00 11.22 O ATOM 110 CB LYS A 8 22.511 35.855 2.241 1.00 13.35 C ATOM 111 CG LYS A 8 23.304 37.136 2.514 1.00 9.72 C ATOM 112 CD LYS A 8 23.232 37.481 4.004 1.00 17.72 C ATOM 113 CE LYS A 8 23.564 38.962 4.207 1.00 15.70 C ATOM 114 NZ LYS A 8 24.587 39.385 3.208 1.00 22.87 N ATOM 0 H LYS A 8 20.852 36.983 0.599 1.00 13.50 H new ATOM 0 HA LYS A 8 23.482 35.614 0.327 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.498 35.950 2.633 1.00 13.35 H new ATOM 0 HB3 LYS A 8 22.973 35.011 2.753 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.343 37.003 2.212 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.902 37.957 1.921 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.235 37.266 4.389 1.00 17.72 H new ATOM 0 HD3 LYS A 8 23.932 36.861 4.565 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.663 39.566 4.098 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.938 39.126 5.218 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.057 40.252 3.538 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.293 38.630 3.094 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.125 39.568 2.294 1.00 22.87 H new ATOM 128 N ILE A 9 20.580 34.064 0.682 1.00 11.05 N ATOM 129 CA ILE A 9 19.951 32.733 0.441 1.00 13.61 C ATOM 130 C ILE A 9 19.715 32.535 -1.055 1.00 12.23 C ATOM 131 O ILE A 9 19.103 33.350 -1.717 1.00 12.72 O ATOM 132 CB ILE A 9 18.612 32.647 1.176 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.724 33.809 0.722 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.854 32.707 2.688 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.753 34.215 1.837 1.00 25.19 C ATOM 0 H ILE A 9 19.948 34.793 1.013 1.00 11.05 H new ATOM 0 HA ILE A 9 20.620 31.956 0.812 1.00 13.61 H new ATOM 0 HB ILE A 9 18.113 31.706 0.945 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.345 34.661 0.445 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.164 33.520 -0.167 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.900 32.646 3.212 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.487 31.872 2.989 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.347 33.646 2.941 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.131 35.042 1.495 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.119 33.366 2.094 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.318 34.526 2.716 1.00 25.19 H new ATOM 147 N GLN A 10 20.194 31.447 -1.585 1.00 11.13 N ATOM 148 CA GLN A 10 20.006 31.160 -3.031 1.00 10.86 C ATOM 149 C GLN A 10 19.909 29.634 -3.214 1.00 10.00 C ATOM 150 O GLN A 10 20.373 28.893 -2.372 1.00 10.42 O ATOM 151 CB GLN A 10 21.191 31.748 -3.823 1.00 14.27 C ATOM 152 CG GLN A 10 22.180 30.648 -4.227 1.00 22.05 C ATOM 153 CD GLN A 10 23.460 31.289 -4.769 1.00 30.84 C ATOM 154 OE1 GLN A 10 23.981 32.219 -4.187 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.991 30.829 -5.869 1.00 34.61 N ATOM 0 H GLN A 10 20.714 30.736 -1.071 1.00 11.13 H new ATOM 0 HA GLN A 10 19.091 31.618 -3.406 1.00 10.86 H new ATOM 0 HB2 GLN A 10 20.822 32.255 -4.714 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.702 32.497 -3.218 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.411 30.018 -3.368 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.734 30.003 -4.984 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.554 30.048 -6.358 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.843 31.251 -6.239 1.00 34.61 H new ATOM 164 N PRO A 11 19.298 29.204 -4.293 1.00 6.53 N ATOM 165 CA PRO A 11 19.126 27.765 -4.566 1.00 7.75 C ATOM 166 C PRO A 11 20.473 27.032 -4.560 1.00 6.33 C ATOM 167 O PRO A 11 21.417 27.430 -5.213 1.00 9.49 O ATOM 168 CB PRO A 11 18.473 27.701 -5.958 1.00 8.32 C ATOM 169 CG PRO A 11 18.219 29.159 -6.422 1.00 7.94 C ATOM 170 CD PRO A 11 18.740 30.098 -5.324 1.00 11.72 C ATOM 0 HA PRO A 11 18.518 27.279 -3.803 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.123 27.182 -6.663 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.537 27.143 -5.917 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.729 29.354 -7.365 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.156 29.325 -6.594 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.500 30.776 -5.712 1.00 11.72 H new ATOM 0 HD3 PRO A 11 17.938 30.716 -4.919 1.00 11.72 H new ATOM 178 N GLY A 12 20.550 25.947 -3.839 1.00 5.64 N ATOM 179 CA GLY A 12 21.811 25.155 -3.795 1.00 8.39 C ATOM 180 C GLY A 12 22.823 25.789 -2.835 1.00 7.67 C ATOM 181 O GLY A 12 24.013 25.585 -2.964 1.00 10.24 O ATOM 0 H GLY A 12 19.787 25.573 -3.274 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.593 24.135 -3.478 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.241 25.094 -4.795 1.00 8.39 H new ATOM 185 N LYS A 13 22.372 26.548 -1.872 1.00 9.66 N ATOM 186 CA LYS A 13 23.332 27.175 -0.915 1.00 10.29 C ATOM 187 C LYS A 13 22.727 27.202 0.488 1.00 10.20 C ATOM 188 O LYS A 13 21.578 27.553 0.670 1.00 6.89 O ATOM 189 CB LYS A 13 23.640 28.604 -1.361 1.00 9.77 C ATOM 190 CG LYS A 13 24.778 29.171 -0.509 1.00 10.63 C ATOM 191 CD LYS A 13 24.957 30.658 -0.818 1.00 12.04 C ATOM 192 CE LYS A 13 25.912 31.279 0.202 1.00 19.12 C ATOM 193 NZ LYS A 13 25.973 32.753 -0.007 1.00 25.36 N ATOM 0 H LYS A 13 21.388 26.760 -1.706 1.00 9.66 H new ATOM 0 HA LYS A 13 24.251 26.590 -0.899 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.920 28.615 -2.414 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.751 29.227 -1.261 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.557 29.033 0.549 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.703 28.632 -0.714 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.351 30.786 -1.826 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.993 31.166 -0.786 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.573 31.058 1.214 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.906 30.845 0.097 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.623 33.175 0.687 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.315 32.953 -0.968 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.024 33.160 0.115 1.00 25.36 H new ATOM 207 N VAL A 14 23.496 26.844 1.485 1.00 10.89 N ATOM 208 CA VAL A 14 22.970 26.860 2.876 1.00 9.99 C ATOM 209 C VAL A 14 23.504 28.095 3.603 1.00 5.01 C ATOM 210 O VAL A 14 24.663 28.441 3.488 1.00 6.68 O ATOM 211 CB VAL A 14 23.420 25.596 3.608 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.974 25.668 5.069 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.785 24.375 2.942 1.00 5.86 C ATOM 0 H VAL A 14 24.466 26.542 1.392 1.00 10.89 H new ATOM 0 HA VAL A 14 21.881 26.893 2.855 1.00 9.99 H new ATOM 0 HB VAL A 14 24.506 25.514 3.564 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.294 24.767 5.592 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.421 26.541 5.543 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.888 25.747 5.114 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.103 23.471 3.461 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.699 24.458 2.990 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.099 24.325 1.899 1.00 5.86 H new ATOM 223 N VAL A 15 22.670 28.762 4.351 1.00 3.11 N ATOM 224 CA VAL A 15 23.127 29.976 5.087 1.00 10.10 C ATOM 225 C VAL A 15 22.419 30.024 6.444 1.00 9.35 C ATOM 226 O VAL A 15 21.272 29.642 6.566 1.00 11.00 O ATOM 227 CB VAL A 15 22.807 31.231 4.248 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.669 32.040 4.881 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.052 32.117 4.153 1.00 10.96 C ATOM 0 H VAL A 15 21.689 28.519 4.485 1.00 3.11 H new ATOM 0 HA VAL A 15 24.204 29.942 5.254 1.00 10.10 H new ATOM 0 HB VAL A 15 22.498 30.905 3.255 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.464 32.919 4.270 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.773 31.422 4.941 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.960 32.355 5.883 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.824 33.003 3.560 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.360 32.420 5.154 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.859 31.560 3.677 1.00 10.96 H new ATOM 239 N VAL A 16 23.100 30.472 7.466 1.00 8.87 N ATOM 240 CA VAL A 16 22.477 30.522 8.816 1.00 5.41 C ATOM 241 C VAL A 16 22.565 31.936 9.396 1.00 6.62 C ATOM 242 O VAL A 16 23.637 32.474 9.588 1.00 8.94 O ATOM 243 CB VAL A 16 23.214 29.552 9.743 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.488 29.469 11.087 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.251 28.163 9.100 1.00 5.31 C ATOM 0 H VAL A 16 24.063 30.806 7.421 1.00 8.87 H new ATOM 0 HA VAL A 16 21.427 30.241 8.732 1.00 5.41 H new ATOM 0 HB VAL A 16 24.231 29.910 9.903 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.016 28.778 11.744 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.460 30.457 11.547 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.470 29.114 10.929 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.776 27.471 9.759 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.233 27.809 8.939 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.771 28.218 8.144 1.00 5.31 H new ATOM 255 N PHE A 17 21.442 32.527 9.707 1.00 5.51 N ATOM 256 CA PHE A 17 21.454 33.888 10.309 1.00 5.80 C ATOM 257 C PHE A 17 21.517 33.719 11.825 1.00 7.23 C ATOM 258 O PHE A 17 20.696 33.042 12.411 1.00 5.39 O ATOM 259 CB PHE A 17 20.175 34.628 9.922 1.00 5.73 C ATOM 260 CG PHE A 17 20.211 34.953 8.450 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.823 33.988 7.515 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.637 36.215 8.021 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.857 34.285 6.149 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.672 36.512 6.654 1.00 5.88 C ATOM 265 CZ PHE A 17 20.282 35.546 5.717 1.00 5.73 C ATOM 0 H PHE A 17 20.516 32.123 9.569 1.00 5.51 H new ATOM 0 HA PHE A 17 22.309 34.463 9.953 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.303 34.014 10.149 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.081 35.544 10.506 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.497 33.014 7.848 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.938 36.959 8.744 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.555 33.541 5.427 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.000 37.486 6.321 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.309 35.775 4.662 1.00 5.73 H new ATOM 275 N ILE A 18 22.502 34.289 12.466 1.00 8.64 N ATOM 276 CA ILE A 18 22.622 34.106 13.941 1.00 6.83 C ATOM 277 C ILE A 18 22.892 35.426 14.653 1.00 10.62 C ATOM 278 O ILE A 18 22.883 36.491 14.074 1.00 6.74 O ATOM 279 CB ILE A 18 23.786 33.157 14.224 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.089 33.757 13.690 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.531 31.810 13.540 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.258 32.839 14.055 1.00 8.36 C ATOM 0 H ILE A 18 23.223 34.869 12.036 1.00 8.64 H new ATOM 0 HA ILE A 18 21.680 33.702 14.311 1.00 6.83 H new ATOM 0 HB ILE A 18 23.870 33.010 15.301 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.031 33.877 12.608 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.246 34.749 14.113 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.363 31.135 13.744 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.609 31.375 13.925 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.440 31.960 12.464 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.187 33.265 13.676 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.320 32.742 15.139 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.101 31.856 13.611 1.00 8.36 H new ATOM 294 N LYS A 19 23.156 35.324 15.921 1.00 12.12 N ATOM 295 CA LYS A 19 23.466 36.511 16.755 1.00 15.62 C ATOM 296 C LYS A 19 24.527 36.059 17.767 1.00 16.36 C ATOM 297 O LYS A 19 24.187 35.459 18.766 1.00 13.35 O ATOM 298 CB LYS A 19 22.202 36.962 17.509 1.00 18.25 C ATOM 299 CG LYS A 19 21.351 37.899 16.630 1.00 25.24 C ATOM 300 CD LYS A 19 20.648 38.944 17.507 1.00 30.64 C ATOM 301 CE LYS A 19 19.636 38.253 18.424 1.00 31.75 C ATOM 302 NZ LYS A 19 19.085 39.243 19.393 1.00 38.73 N ATOM 0 H LYS A 19 23.170 34.439 16.429 1.00 12.12 H new ATOM 0 HA LYS A 19 23.818 37.343 16.145 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.614 36.091 17.797 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.484 37.474 18.429 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.984 38.396 15.894 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.612 37.320 16.076 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.382 39.486 18.103 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.142 39.678 16.880 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.830 37.820 17.832 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.115 37.433 18.959 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.397 38.773 20.016 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.859 39.636 19.966 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.614 40.011 18.874 1.00 38.73 H new ATOM 316 N PRO A 20 25.784 36.312 17.470 1.00 17.46 N ATOM 317 CA PRO A 20 26.887 35.878 18.346 1.00 20.12 C ATOM 318 C PRO A 20 26.635 36.321 19.787 1.00 24.12 C ATOM 319 O PRO A 20 27.240 37.248 20.289 1.00 24.58 O ATOM 320 CB PRO A 20 28.143 36.525 17.748 1.00 20.63 C ATOM 321 CG PRO A 20 27.747 37.106 16.368 1.00 18.08 C ATOM 322 CD PRO A 20 26.212 37.051 16.265 1.00 17.14 C ATOM 0 HA PRO A 20 26.989 34.794 18.391 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.519 37.311 18.403 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.941 35.790 17.641 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.101 38.132 16.268 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.206 36.531 15.564 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.780 38.052 16.239 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.894 36.543 15.355 1.00 17.14 H new ATOM 330 N THR A 21 25.741 35.646 20.452 1.00 24.78 N ATOM 331 CA THR A 21 25.422 35.987 21.861 1.00 27.36 C ATOM 332 C THR A 21 24.524 34.893 22.440 1.00 24.99 C ATOM 333 O THR A 21 24.581 34.589 23.615 1.00 26.49 O ATOM 334 CB THR A 21 24.685 37.331 21.915 1.00 28.64 C ATOM 335 OG1 THR A 21 25.311 38.252 21.033 1.00 30.99 O ATOM 336 CG2 THR A 21 24.725 37.880 23.342 1.00 34.82 C ATOM 0 H THR A 21 25.211 34.862 20.072 1.00 24.78 H new ATOM 0 HA THR A 21 26.343 36.061 22.439 1.00 27.36 H new ATOM 0 HB THR A 21 23.648 37.188 21.612 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.284 38.193 21.135 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.201 38.835 23.379 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.241 37.174 24.017 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.761 38.023 23.648 1.00 34.82 H new ATOM 344 N CYS A 22 23.687 34.301 21.624 1.00 21.46 N ATOM 345 CA CYS A 22 22.779 33.231 22.131 1.00 17.23 C ATOM 346 C CYS A 22 23.390 31.842 21.833 1.00 14.71 C ATOM 347 O CYS A 22 23.746 31.567 20.704 1.00 13.71 O ATOM 348 CB CYS A 22 21.417 33.373 21.443 1.00 15.71 C ATOM 349 SG CYS A 22 20.108 33.086 22.661 1.00 9.78 S ATOM 0 H CYS A 22 23.595 34.513 20.631 1.00 21.46 H new ATOM 0 HA CYS A 22 22.653 33.328 23.209 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.316 34.368 21.009 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.333 32.658 20.624 1.00 15.71 H new ATOM 354 N PRO A 23 23.509 31.007 22.851 1.00 13.86 N ATOM 355 CA PRO A 23 24.096 29.654 22.699 1.00 13.47 C ATOM 356 C PRO A 23 23.312 28.777 21.710 1.00 8.59 C ATOM 357 O PRO A 23 23.771 27.723 21.318 1.00 10.79 O ATOM 358 CB PRO A 23 24.040 29.038 24.102 1.00 11.94 C ATOM 359 CG PRO A 23 23.479 30.105 25.064 1.00 7.24 C ATOM 360 CD PRO A 23 23.084 31.334 24.228 1.00 12.58 C ATOM 0 HA PRO A 23 25.107 29.718 22.298 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.407 28.151 24.105 1.00 11.94 H new ATOM 0 HB3 PRO A 23 25.033 28.722 24.420 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.615 29.716 25.603 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.225 30.375 25.811 1.00 7.24 H new ATOM 0 HD2 PRO A 23 22.011 31.518 24.278 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.579 32.235 24.591 1.00 12.58 H new ATOM 368 N TYR A 24 22.139 29.179 21.311 1.00 0.00 N ATOM 369 CA TYR A 24 21.355 28.329 20.363 1.00 0.00 C ATOM 370 C TYR A 24 21.993 28.388 18.976 1.00 0.00 C ATOM 371 O TYR A 24 22.168 27.379 18.321 1.00 0.00 O ATOM 372 CB TYR A 24 19.913 28.834 20.291 1.00 0.00 C ATOM 373 CG TYR A 24 19.101 28.181 21.381 1.00 0.00 C ATOM 374 CD1 TYR A 24 19.157 28.680 22.687 1.00 0.00 C ATOM 375 CD2 TYR A 24 18.294 27.075 21.085 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.405 28.075 23.700 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.541 26.470 22.099 1.00 0.00 C ATOM 378 CZ TYR A 24 17.597 26.970 23.406 1.00 0.00 C ATOM 379 OH TYR A 24 16.856 26.374 24.405 1.00 0.00 O ATOM 0 H TYR A 24 21.689 30.050 21.594 1.00 0.00 H new ATOM 0 HA TYR A 24 21.356 27.298 20.716 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.889 29.918 20.404 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.484 28.605 19.315 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.781 29.532 22.913 1.00 0.00 H new ATOM 0 HD2 TYR A 24 18.253 26.690 20.077 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.448 28.460 24.708 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.917 25.618 21.873 1.00 0.00 H new ATOM 0 HH TYR A 24 16.350 25.622 24.033 1.00 0.00 H new ATOM 389 N SER A 25 22.351 29.552 18.525 1.00 0.00 N ATOM 390 CA SER A 25 22.988 29.653 17.184 1.00 0.00 C ATOM 391 C SER A 25 24.316 28.904 17.228 1.00 0.00 C ATOM 392 O SER A 25 24.698 28.243 16.282 1.00 0.00 O ATOM 393 CB SER A 25 23.233 31.119 16.828 1.00 0.00 C ATOM 394 OG SER A 25 24.595 31.289 16.453 1.00 0.00 O ATOM 0 H SER A 25 22.232 30.435 19.022 1.00 0.00 H new ATOM 0 HA SER A 25 22.334 29.219 16.428 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.578 31.421 16.011 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.996 31.757 17.679 1.00 0.00 H new ATOM 0 HG SER A 25 24.979 32.043 16.947 1.00 0.00 H new ATOM 400 N ARG A 26 25.009 28.968 18.331 1.00 16.21 N ATOM 401 CA ARG A 26 26.287 28.219 18.433 1.00 15.67 C ATOM 402 C ARG A 26 25.953 26.748 18.194 1.00 13.70 C ATOM 403 O ARG A 26 26.719 25.995 17.628 1.00 12.41 O ATOM 404 CB ARG A 26 26.874 28.404 19.843 1.00 22.04 C ATOM 405 CG ARG A 26 28.144 29.260 19.782 1.00 31.64 C ATOM 406 CD ARG A 26 29.329 28.385 19.372 1.00 43.08 C ATOM 407 NE ARG A 26 30.485 29.250 19.009 1.00 52.93 N ATOM 408 CZ ARG A 26 31.681 28.736 18.930 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.862 27.469 19.181 1.00 58.61 N ATOM 410 NH2 ARG A 26 32.695 29.489 18.603 1.00 59.59 N ATOM 0 H ARG A 26 24.746 29.503 19.159 1.00 16.21 H new ATOM 0 HA ARG A 26 27.019 28.574 17.708 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.138 28.879 20.491 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.103 27.432 20.279 1.00 22.04 H new ATOM 0 HG2 ARG A 26 28.014 30.073 19.067 1.00 31.64 H new ATOM 0 HG3 ARG A 26 28.334 29.717 20.753 1.00 31.64 H new ATOM 0 HD2 ARG A 26 29.603 27.719 20.190 1.00 43.08 H new ATOM 0 HD3 ARG A 26 29.054 27.755 18.526 1.00 43.08 H new ATOM 0 HE ARG A 26 30.342 30.243 18.822 1.00 52.93 H new ATOM 0 HH11 ARG A 26 31.069 26.882 19.439 1.00 58.61 H new ATOM 0 HH12 ARG A 26 32.797 27.065 19.120 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.553 30.480 18.409 1.00 59.59 H new ATOM 0 HH22 ARG A 26 33.630 29.087 18.541 1.00 59.59 H new ATOM 424 N ARG A 27 24.786 26.357 18.621 1.00 0.00 N ATOM 425 CA ARG A 27 24.327 24.957 18.435 1.00 0.00 C ATOM 426 C ARG A 27 24.302 24.615 16.941 1.00 0.00 C ATOM 427 O ARG A 27 24.966 23.702 16.492 1.00 0.00 O ATOM 428 CB ARG A 27 22.914 24.840 19.019 1.00 0.00 C ATOM 429 CG ARG A 27 22.730 23.485 19.703 1.00 0.00 C ATOM 430 CD ARG A 27 21.371 23.452 20.418 1.00 0.00 C ATOM 431 NE ARG A 27 21.531 22.866 21.786 1.00 0.00 N ATOM 432 CZ ARG A 27 22.251 21.791 21.980 1.00 0.00 C ATOM 433 NH1 ARG A 27 22.771 21.151 20.967 1.00 0.00 N ATOM 434 NH2 ARG A 27 22.429 21.339 23.191 1.00 0.00 N ATOM 0 H ARG A 27 24.119 26.962 19.100 1.00 0.00 H new ATOM 0 HA ARG A 27 25.003 24.266 18.939 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.743 25.643 19.736 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.175 24.958 18.226 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.785 22.683 18.966 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.534 23.315 20.419 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.963 24.460 20.490 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.660 22.861 19.840 1.00 0.00 H new ATOM 0 HE ARG A 27 21.071 23.312 22.580 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.617 21.489 20.017 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.331 20.314 21.126 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.007 21.824 23.983 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.990 20.501 23.345 1.00 0.00 H new ATOM 448 N ALA A 28 23.533 25.340 16.172 1.00 0.00 N ATOM 449 CA ALA A 28 23.452 25.056 14.709 1.00 0.00 C ATOM 450 C ALA A 28 24.850 25.129 14.101 1.00 0.00 C ATOM 451 O ALA A 28 25.160 24.447 13.145 1.00 0.00 O ATOM 452 CB ALA A 28 22.552 26.093 14.037 1.00 0.00 C ATOM 0 H ALA A 28 22.957 26.118 16.494 1.00 0.00 H new ATOM 0 HA ALA A 28 23.037 24.060 14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.493 25.886 12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.554 26.045 14.472 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.967 27.089 14.191 1.00 0.00 H new ATOM 458 N GLN A 29 25.700 25.947 14.650 1.00 19.83 N ATOM 459 CA GLN A 29 27.078 26.056 14.107 1.00 20.83 C ATOM 460 C GLN A 29 27.826 24.752 14.392 1.00 20.95 C ATOM 461 O GLN A 29 28.672 24.324 13.633 1.00 22.85 O ATOM 462 CB GLN A 29 27.797 27.223 14.794 1.00 21.33 C ATOM 463 CG GLN A 29 27.401 28.553 14.128 1.00 34.02 C ATOM 464 CD GLN A 29 28.539 29.042 13.227 1.00 40.49 C ATOM 465 OE1 GLN A 29 29.334 28.255 12.750 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.653 30.317 12.972 1.00 45.49 N ATOM 0 H GLN A 29 25.499 26.545 15.452 1.00 19.83 H new ATOM 0 HA GLN A 29 27.046 26.233 13.032 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.539 27.247 15.853 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.876 27.083 14.732 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.492 28.420 13.541 1.00 34.02 H new ATOM 0 HG3 GLN A 29 27.182 29.301 14.890 1.00 34.02 H new ATOM 0 HE21 GLN A 29 27.987 30.978 13.371 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.408 30.652 12.373 1.00 45.49 H new ATOM 475 N GLU A 30 27.517 24.127 15.493 1.00 22.87 N ATOM 476 CA GLU A 30 28.199 22.853 15.861 1.00 23.32 C ATOM 477 C GLU A 30 27.744 21.703 14.953 1.00 22.32 C ATOM 478 O GLU A 30 28.533 20.866 14.562 1.00 25.42 O ATOM 479 CB GLU A 30 27.862 22.511 17.313 1.00 24.18 C ATOM 480 CG GLU A 30 28.599 23.470 18.251 1.00 32.27 C ATOM 481 CD GLU A 30 30.070 23.061 18.343 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.326 21.883 18.532 1.00 32.92 O ATOM 483 OE2 GLU A 30 30.915 23.933 18.223 1.00 34.69 O ATOM 0 H GLU A 30 26.815 24.446 16.160 1.00 22.87 H new ATOM 0 HA GLU A 30 29.274 22.984 15.739 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.786 22.584 17.474 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.148 21.482 17.531 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.517 24.492 17.882 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.142 23.451 19.241 1.00 32.27 H new ATOM 490 N ILE A 31 26.477 21.631 14.637 1.00 0.00 N ATOM 491 CA ILE A 31 25.988 20.505 13.783 1.00 0.00 C ATOM 492 C ILE A 31 26.335 20.743 12.306 1.00 0.00 C ATOM 493 O ILE A 31 27.009 19.943 11.689 1.00 0.00 O ATOM 494 CB ILE A 31 24.463 20.343 13.964 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.839 19.630 12.752 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.802 21.707 14.139 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.447 18.234 12.591 1.00 0.00 C ATOM 0 H ILE A 31 25.763 22.298 14.930 1.00 0.00 H new ATOM 0 HA ILE A 31 26.485 19.587 14.096 1.00 0.00 H new ATOM 0 HB ILE A 31 24.295 19.739 14.856 1.00 0.00 H new ATOM 0 HG12 ILE A 31 22.760 19.552 12.882 1.00 0.00 H new ATOM 0 HG13 ILE A 31 24.009 20.216 11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.727 21.577 14.265 1.00 0.00 H new ATOM 0 HG22 ILE A 31 24.214 22.201 15.019 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.992 22.319 13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.998 17.739 11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 31 25.523 18.321 12.439 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.254 17.647 13.489 1.00 0.00 H new ATOM 509 N LEU A 32 25.870 21.812 11.725 1.00 16.72 N ATOM 510 CA LEU A 32 26.165 22.060 10.291 1.00 15.05 C ATOM 511 C LEU A 32 27.676 22.090 10.060 1.00 15.55 C ATOM 512 O LEU A 32 28.147 21.863 8.963 1.00 17.28 O ATOM 513 CB LEU A 32 25.533 23.392 9.876 1.00 12.57 C ATOM 514 CG LEU A 32 24.116 23.146 9.336 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.273 24.413 9.501 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.188 22.774 7.850 1.00 12.45 C ATOM 0 H LEU A 32 25.299 22.523 12.182 1.00 16.72 H new ATOM 0 HA LEU A 32 25.745 21.256 9.686 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.495 24.069 10.729 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.145 23.874 9.113 1.00 12.57 H new ATOM 0 HG LEU A 32 23.658 22.330 9.894 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.269 24.234 9.117 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.216 24.677 10.557 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.733 25.231 8.947 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.182 22.600 7.469 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.651 23.589 7.293 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.783 21.869 7.730 1.00 12.45 H new ATOM 528 N SER A 33 28.442 22.357 11.076 1.00 16.31 N ATOM 529 CA SER A 33 29.917 22.384 10.893 1.00 18.98 C ATOM 530 C SER A 33 30.408 20.970 10.569 1.00 18.49 C ATOM 531 O SER A 33 31.361 20.784 9.837 1.00 21.34 O ATOM 532 CB SER A 33 30.581 22.879 12.180 1.00 19.20 C ATOM 533 OG SER A 33 30.547 24.300 12.207 1.00 24.11 O ATOM 0 H SER A 33 28.114 22.557 12.021 1.00 16.31 H new ATOM 0 HA SER A 33 30.176 23.056 10.075 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.063 22.474 13.049 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.611 22.527 12.230 1.00 19.20 H new ATOM 0 HG SER A 33 29.710 24.599 12.620 1.00 24.11 H new ATOM 539 N GLN A 34 29.770 19.972 11.121 1.00 20.00 N ATOM 540 CA GLN A 34 30.200 18.568 10.864 1.00 24.71 C ATOM 541 C GLN A 34 29.395 17.947 9.713 1.00 23.33 C ATOM 542 O GLN A 34 29.482 16.761 9.467 1.00 26.27 O ATOM 543 CB GLN A 34 29.987 17.745 12.138 1.00 28.15 C ATOM 544 CG GLN A 34 31.117 18.031 13.133 1.00 37.01 C ATOM 545 CD GLN A 34 30.580 17.969 14.566 1.00 41.74 C ATOM 546 OE1 GLN A 34 30.295 16.903 15.075 1.00 44.07 O ATOM 547 NE2 GLN A 34 30.429 19.076 15.241 1.00 41.20 N ATOM 0 H GLN A 34 28.966 20.070 11.741 1.00 20.00 H new ATOM 0 HA GLN A 34 31.253 18.568 10.582 1.00 24.71 H new ATOM 0 HB2 GLN A 34 29.024 17.992 12.585 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.963 16.682 11.896 1.00 28.15 H new ATOM 0 HG2 GLN A 34 31.919 17.304 13.004 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.544 19.015 12.938 1.00 37.01 H new ATOM 0 HE21 GLN A 34 30.668 19.971 14.814 1.00 41.20 H new ATOM 0 HE22 GLN A 34 30.072 19.046 16.196 1.00 41.20 H new ATOM 556 N LEU A 35 28.613 18.719 9.000 1.00 19.63 N ATOM 557 CA LEU A 35 27.825 18.131 7.878 1.00 15.93 C ATOM 558 C LEU A 35 28.662 18.206 6.584 1.00 13.36 C ATOM 559 O LEU A 35 29.256 19.229 6.307 1.00 16.12 O ATOM 560 CB LEU A 35 26.523 18.930 7.696 1.00 13.69 C ATOM 561 CG LEU A 35 25.449 18.494 8.716 1.00 11.57 C ATOM 562 CD1 LEU A 35 24.121 19.179 8.374 1.00 11.03 C ATOM 563 CD2 LEU A 35 25.237 16.973 8.673 1.00 16.28 C ATOM 0 H LEU A 35 28.488 19.721 9.145 1.00 19.63 H new ATOM 0 HA LEU A 35 27.583 17.092 8.099 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.728 19.994 7.813 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.145 18.787 6.684 1.00 13.69 H new ATOM 0 HG LEU A 35 25.786 18.779 9.712 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.359 18.874 9.091 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.248 20.261 8.417 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.810 18.890 7.370 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.476 16.691 9.401 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.912 16.679 7.675 1.00 16.28 H new ATOM 0 HD23 LEU A 35 26.173 16.468 8.913 1.00 16.28 H new ATOM 575 N PRO A 36 28.696 17.124 5.826 1.00 16.38 N ATOM 576 CA PRO A 36 29.470 17.078 4.569 1.00 17.59 C ATOM 577 C PRO A 36 28.879 18.054 3.547 1.00 19.11 C ATOM 578 O PRO A 36 28.393 17.668 2.503 1.00 21.54 O ATOM 579 CB PRO A 36 29.342 15.627 4.082 1.00 16.71 C ATOM 580 CG PRO A 36 28.264 14.946 4.955 1.00 16.59 C ATOM 581 CD PRO A 36 27.980 15.874 6.145 1.00 15.74 C ATOM 0 HA PRO A 36 30.511 17.368 4.709 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.060 15.598 3.030 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.295 15.106 4.171 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.356 14.774 4.378 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.610 13.973 5.302 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.911 16.050 6.264 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.337 15.441 7.079 1.00 15.74 H new ATOM 589 N ILE A 37 28.924 19.315 3.845 1.00 0.00 N ATOM 590 CA ILE A 37 28.379 20.331 2.901 1.00 0.00 C ATOM 591 C ILE A 37 29.452 20.678 1.868 1.00 0.00 C ATOM 592 O ILE A 37 30.628 20.716 2.173 1.00 0.00 O ATOM 593 CB ILE A 37 27.990 21.590 3.677 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.857 21.246 4.664 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.543 22.681 2.691 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.494 21.388 3.984 1.00 0.00 C ATOM 0 H ILE A 37 29.317 19.693 4.707 1.00 0.00 H new ATOM 0 HA ILE A 37 27.499 19.932 2.397 1.00 0.00 H new ATOM 0 HB ILE A 37 28.845 21.963 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.983 20.227 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.908 21.905 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.265 23.579 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.361 22.913 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.685 22.326 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.705 21.141 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.364 22.414 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.440 20.710 3.132 1.00 0.00 H new ATOM 608 N LYS A 38 29.064 20.921 0.646 1.00 12.68 N ATOM 609 CA LYS A 38 30.075 21.252 -0.394 1.00 12.78 C ATOM 610 C LYS A 38 30.909 22.451 0.054 1.00 14.66 C ATOM 611 O LYS A 38 30.477 23.278 0.833 1.00 13.94 O ATOM 612 CB LYS A 38 29.390 21.565 -1.722 1.00 11.68 C ATOM 613 CG LYS A 38 28.253 20.569 -1.959 1.00 12.28 C ATOM 614 CD LYS A 38 27.751 20.685 -3.405 1.00 13.74 C ATOM 615 CE LYS A 38 28.637 19.849 -4.336 1.00 20.88 C ATOM 616 NZ LYS A 38 28.037 19.825 -5.700 1.00 29.41 N ATOM 0 H LYS A 38 28.096 20.905 0.325 1.00 12.68 H new ATOM 0 HA LYS A 38 30.729 20.391 -0.531 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.999 22.583 -1.711 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.112 21.510 -2.537 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.600 19.554 -1.766 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.436 20.764 -1.264 1.00 12.28 H new ATOM 0 HD2 LYS A 38 26.718 20.343 -3.469 1.00 13.74 H new ATOM 0 HD3 LYS A 38 27.761 21.729 -3.720 1.00 13.74 H new ATOM 0 HE2 LYS A 38 29.641 20.271 -4.376 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.732 18.834 -3.951 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 28.637 19.258 -6.333 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.087 19.404 -5.654 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 27.968 20.796 -6.066 1.00 29.41 H new ATOM 630 N GLN A 39 32.109 22.530 -0.432 1.00 0.00 N ATOM 631 CA GLN A 39 33.022 23.648 -0.056 1.00 0.00 C ATOM 632 C GLN A 39 32.390 25.014 -0.354 1.00 0.00 C ATOM 633 O GLN A 39 31.803 25.230 -1.396 1.00 0.00 O ATOM 634 CB GLN A 39 34.326 23.515 -0.847 1.00 0.00 C ATOM 635 CG GLN A 39 34.953 22.147 -0.571 1.00 0.00 C ATOM 636 CD GLN A 39 35.388 22.070 0.893 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.074 21.121 1.584 1.00 0.00 O ATOM 638 NE2 GLN A 39 36.103 23.037 1.399 1.00 0.00 N ATOM 0 H GLN A 39 32.508 21.857 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 39 33.214 23.588 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 39 34.130 23.629 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 39 35.018 24.308 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.236 21.356 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.811 21.990 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.367 23.834 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.398 22.996 2.374 1.00 0.00 H new ATOM 647 N GLY A 40 32.549 25.948 0.548 1.00 11.96 N ATOM 648 CA GLY A 40 32.014 27.325 0.328 1.00 8.67 C ATOM 649 C GLY A 40 30.488 27.331 0.213 1.00 10.51 C ATOM 650 O GLY A 40 29.905 28.306 -0.217 1.00 15.27 O ATOM 0 H GLY A 40 33.032 25.814 1.437 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.319 27.969 1.153 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.448 27.743 -0.580 1.00 8.67 H new ATOM 654 N LEU A 41 29.830 26.270 0.585 1.00 8.78 N ATOM 655 CA LEU A 41 28.337 26.256 0.482 1.00 6.78 C ATOM 656 C LEU A 41 27.721 26.492 1.858 1.00 7.45 C ATOM 657 O LEU A 41 26.583 26.902 1.977 1.00 2.18 O ATOM 658 CB LEU A 41 27.870 24.901 -0.067 1.00 6.98 C ATOM 659 CG LEU A 41 26.974 25.108 -1.296 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.839 25.339 -2.538 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.102 23.866 -1.505 1.00 6.68 C ATOM 0 H LEU A 41 30.252 25.417 0.953 1.00 8.78 H new ATOM 0 HA LEU A 41 28.017 27.049 -0.194 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.733 24.292 -0.336 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.323 24.357 0.703 1.00 6.98 H new ATOM 0 HG LEU A 41 26.339 25.979 -1.135 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.197 25.485 -3.407 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.458 26.224 -2.391 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.479 24.472 -2.702 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.465 24.011 -2.377 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.740 22.996 -1.662 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.480 23.706 -0.624 1.00 6.68 H new ATOM 673 N LEU A 42 28.458 26.234 2.898 1.00 7.13 N ATOM 674 CA LEU A 42 27.914 26.438 4.268 1.00 6.20 C ATOM 675 C LEU A 42 28.480 27.732 4.851 1.00 5.03 C ATOM 676 O LEU A 42 29.676 27.942 4.867 1.00 5.38 O ATOM 677 CB LEU A 42 28.326 25.260 5.150 1.00 3.82 C ATOM 678 CG LEU A 42 27.881 25.506 6.595 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.370 25.759 6.640 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.221 24.276 7.441 1.00 2.48 C ATOM 0 H LEU A 42 29.417 25.889 2.860 1.00 7.13 H new ATOM 0 HA LEU A 42 26.827 26.504 4.227 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.878 24.340 4.775 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.407 25.127 5.111 1.00 3.82 H new ATOM 0 HG LEU A 42 28.399 26.380 6.990 1.00 3.80 H new ATOM 0 HD11 LEU A 42 26.061 25.933 7.671 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.129 26.634 6.036 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.844 24.890 6.245 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.907 24.445 8.471 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.702 23.405 7.041 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.297 24.102 7.414 1.00 2.48 H new ATOM 692 N GLU A 43 27.633 28.602 5.330 1.00 5.92 N ATOM 693 CA GLU A 43 28.131 29.882 5.910 1.00 7.54 C ATOM 694 C GLU A 43 27.283 30.267 7.124 1.00 6.00 C ATOM 695 O GLU A 43 26.197 29.761 7.328 1.00 4.97 O ATOM 696 CB GLU A 43 28.036 30.986 4.850 1.00 8.77 C ATOM 697 CG GLU A 43 28.815 32.226 5.308 1.00 16.17 C ATOM 698 CD GLU A 43 30.302 31.888 5.437 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.875 31.439 4.458 1.00 19.19 O ATOM 700 OE2 GLU A 43 30.842 32.086 6.513 1.00 22.03 O ATOM 0 H GLU A 43 26.620 28.482 5.345 1.00 5.92 H new ATOM 0 HA GLU A 43 29.168 29.759 6.223 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.435 30.626 3.902 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.992 31.246 4.678 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.678 33.037 4.593 1.00 16.17 H new ATOM 0 HG3 GLU A 43 28.428 32.576 6.265 1.00 16.17 H new ATOM 707 N PHE A 44 27.773 31.181 7.915 1.00 7.78 N ATOM 708 CA PHE A 44 27.019 31.648 9.114 1.00 9.60 C ATOM 709 C PHE A 44 26.916 33.171 9.023 1.00 6.71 C ATOM 710 O PHE A 44 27.909 33.871 9.045 1.00 6.85 O ATOM 711 CB PHE A 44 27.771 31.238 10.383 1.00 12.09 C ATOM 712 CG PHE A 44 28.235 29.806 10.243 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.397 28.751 10.631 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.503 29.532 9.714 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.827 27.427 10.490 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.933 28.206 9.576 1.00 16.33 C ATOM 717 CZ PHE A 44 29.095 27.154 9.963 1.00 10.85 C ATOM 0 H PHE A 44 28.678 31.631 7.780 1.00 7.78 H new ATOM 0 HA PHE A 44 26.024 31.204 9.151 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.625 31.896 10.543 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.123 31.340 11.253 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.419 28.960 11.039 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.149 30.343 9.413 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.180 26.615 10.788 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.912 27.995 9.171 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.426 26.132 9.855 1.00 10.85 H new ATOM 727 N VAL A 45 25.727 33.686 8.866 1.00 6.10 N ATOM 728 CA VAL A 45 25.564 35.161 8.710 1.00 6.58 C ATOM 729 C VAL A 45 25.238 35.835 10.045 1.00 6.12 C ATOM 730 O VAL A 45 24.114 35.818 10.504 1.00 5.14 O ATOM 731 CB VAL A 45 24.425 35.424 7.722 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.070 36.914 7.719 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.864 34.999 6.318 1.00 2.33 C ATOM 0 H VAL A 45 24.860 33.149 8.839 1.00 6.10 H new ATOM 0 HA VAL A 45 26.502 35.577 8.343 1.00 6.58 H new ATOM 0 HB VAL A 45 23.548 34.850 8.022 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.259 37.093 7.013 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.755 37.215 8.718 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.943 37.495 7.423 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.055 35.185 5.612 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.743 35.572 6.022 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.108 33.937 6.319 1.00 2.33 H new ATOM 743 N ASP A 46 26.208 36.466 10.648 1.00 6.79 N ATOM 744 CA ASP A 46 25.952 37.184 11.924 1.00 6.49 C ATOM 745 C ASP A 46 25.315 38.534 11.579 1.00 9.11 C ATOM 746 O ASP A 46 25.977 39.444 11.122 1.00 7.52 O ATOM 747 CB ASP A 46 27.275 37.398 12.659 1.00 7.84 C ATOM 748 CG ASP A 46 28.018 36.065 12.773 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.529 35.088 12.229 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.062 36.043 13.403 1.00 15.32 O ATOM 0 H ASP A 46 27.169 36.514 10.309 1.00 6.79 H new ATOM 0 HA ASP A 46 25.287 36.609 12.568 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.888 38.123 12.123 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.089 37.809 13.651 1.00 7.84 H new ATOM 755 N ILE A 47 24.028 38.656 11.754 1.00 8.21 N ATOM 756 CA ILE A 47 23.337 39.931 11.393 1.00 8.33 C ATOM 757 C ILE A 47 23.866 41.107 12.218 1.00 10.92 C ATOM 758 O ILE A 47 23.441 42.231 12.039 1.00 9.40 O ATOM 759 CB ILE A 47 21.834 39.774 11.621 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.576 39.278 13.045 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.281 38.757 10.623 1.00 3.40 C ATOM 762 CD1 ILE A 47 20.101 39.482 13.396 1.00 7.93 C ATOM 0 H ILE A 47 23.422 37.928 12.132 1.00 8.21 H new ATOM 0 HA ILE A 47 23.535 40.143 10.342 1.00 8.33 H new ATOM 0 HB ILE A 47 21.342 40.737 11.481 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.838 38.223 13.127 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.207 39.819 13.750 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.209 38.640 10.780 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.463 39.108 9.607 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.776 37.797 10.769 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.916 39.129 14.411 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.855 40.542 13.330 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.480 38.921 12.698 1.00 7.93 H new ATOM 774 N THR A 48 24.790 40.878 13.111 1.00 13.41 N ATOM 775 CA THR A 48 25.326 42.014 13.919 1.00 16.67 C ATOM 776 C THR A 48 26.573 42.574 13.232 1.00 16.58 C ATOM 777 O THR A 48 27.044 43.647 13.554 1.00 18.03 O ATOM 778 CB THR A 48 25.682 41.529 15.327 1.00 15.80 C ATOM 779 OG1 THR A 48 25.977 42.650 16.148 1.00 21.06 O ATOM 780 CG2 THR A 48 26.898 40.605 15.270 1.00 21.72 C ATOM 0 H THR A 48 25.194 39.964 13.316 1.00 13.41 H new ATOM 0 HA THR A 48 24.570 42.795 13.996 1.00 16.67 H new ATOM 0 HB THR A 48 24.837 40.980 15.742 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.370 43.362 15.601 1.00 21.06 H new ATOM 0 HG21 THR A 48 27.144 40.265 16.276 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.672 39.744 14.641 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.747 41.146 14.852 1.00 21.72 H new ATOM 788 N ALA A 49 27.107 41.855 12.282 1.00 15.36 N ATOM 789 CA ALA A 49 28.319 42.343 11.567 1.00 18.08 C ATOM 790 C ALA A 49 27.918 43.414 10.550 1.00 20.63 C ATOM 791 O ALA A 49 28.722 43.860 9.756 1.00 22.45 O ATOM 792 CB ALA A 49 28.985 41.174 10.838 1.00 18.76 C ATOM 0 H ALA A 49 26.755 40.950 11.970 1.00 15.36 H new ATOM 0 HA ALA A 49 29.017 42.770 12.287 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.872 41.530 10.314 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.272 40.410 11.561 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.286 40.748 10.119 1.00 18.76 H new ATOM 798 N THR A 50 26.678 43.827 10.561 1.00 22.30 N ATOM 799 CA THR A 50 26.228 44.865 9.586 1.00 25.27 C ATOM 800 C THR A 50 25.206 45.794 10.247 1.00 24.34 C ATOM 801 O THR A 50 24.705 46.713 9.629 1.00 25.49 O ATOM 802 CB THR A 50 25.578 44.179 8.380 1.00 22.85 C ATOM 803 OG1 THR A 50 25.333 45.142 7.365 1.00 23.28 O ATOM 804 CG2 THR A 50 24.255 43.535 8.806 1.00 25.63 C ATOM 0 H THR A 50 25.958 43.492 11.201 1.00 22.30 H new ATOM 0 HA THR A 50 27.089 45.449 9.262 1.00 25.27 H new ATOM 0 HB THR A 50 26.247 43.408 7.997 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.952 45.951 7.766 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.794 43.048 7.947 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.444 42.796 9.584 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.584 44.303 9.191 1.00 25.63 H new ATOM 812 N ASN A 51 24.884 45.562 11.490 1.00 0.00 N ATOM 813 CA ASN A 51 23.887 46.434 12.172 1.00 0.00 C ATOM 814 C ASN A 51 22.515 46.191 11.542 1.00 0.00 C ATOM 815 O ASN A 51 22.284 45.172 10.922 1.00 0.00 O ATOM 816 CB ASN A 51 24.287 47.907 12.007 1.00 0.00 C ATOM 817 CG ASN A 51 23.754 48.721 13.189 1.00 0.00 C ATOM 818 OD1 ASN A 51 24.124 48.482 14.322 1.00 0.00 O ATOM 819 ND2 ASN A 51 22.896 49.679 12.972 1.00 0.00 N ATOM 0 H ASN A 51 25.267 44.809 12.061 1.00 0.00 H new ATOM 0 HA ASN A 51 23.852 46.200 13.236 1.00 0.00 H new ATOM 0 HB2 ASN A 51 25.372 47.995 11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.887 48.300 11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.536 50.227 13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.585 49.880 12.021 1.00 0.00 H new ATOM 826 N HIS A 52 21.601 47.112 11.683 1.00 0.00 N ATOM 827 CA HIS A 52 20.257 46.905 11.075 1.00 0.00 C ATOM 828 C HIS A 52 19.688 45.580 11.591 1.00 0.00 C ATOM 829 O HIS A 52 18.768 45.023 11.027 1.00 0.00 O ATOM 830 CB HIS A 52 20.406 46.849 9.544 1.00 0.00 C ATOM 831 CG HIS A 52 19.621 47.961 8.896 1.00 0.00 C ATOM 832 ND1 HIS A 52 19.001 47.801 7.666 1.00 0.00 N ATOM 833 CD2 HIS A 52 19.354 49.251 9.285 1.00 0.00 C ATOM 834 CE1 HIS A 52 18.399 48.965 7.360 1.00 0.00 C ATOM 835 NE2 HIS A 52 18.583 49.883 8.313 1.00 0.00 N ATOM 0 H HIS A 52 21.725 47.990 12.187 1.00 0.00 H new ATOM 0 HA HIS A 52 19.585 47.721 11.342 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.458 46.932 9.272 1.00 0.00 H new ATOM 0 HB3 HIS A 52 20.056 45.885 9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.691 49.706 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 52 17.836 49.136 6.454 1.00 0.00 H new ATOM 0 HE2 HIS A 52 18.234 50.841 8.326 1.00 0.00 H new ATOM 843 N THR A 53 20.244 45.069 12.654 1.00 18.27 N ATOM 844 CA THR A 53 19.762 43.774 13.214 1.00 16.01 C ATOM 845 C THR A 53 18.230 43.717 13.192 1.00 16.57 C ATOM 846 O THR A 53 17.643 42.835 12.599 1.00 18.87 O ATOM 847 CB THR A 53 20.255 43.638 14.662 1.00 15.02 C ATOM 848 OG1 THR A 53 20.410 44.931 15.228 1.00 13.32 O ATOM 849 CG2 THR A 53 21.600 42.907 14.687 1.00 9.59 C ATOM 0 H THR A 53 21.018 45.496 13.163 1.00 18.27 H new ATOM 0 HA THR A 53 20.152 42.958 12.606 1.00 16.01 H new ATOM 0 HB THR A 53 19.527 43.068 15.239 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.723 44.848 16.153 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.944 42.814 15.717 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.483 41.914 14.252 1.00 9.59 H new ATOM 0 HG23 THR A 53 22.332 43.472 14.110 1.00 9.59 H new ATOM 857 N ASN A 54 17.581 44.638 13.846 1.00 13.94 N ATOM 858 CA ASN A 54 16.089 44.619 13.882 1.00 18.93 C ATOM 859 C ASN A 54 15.513 44.561 12.466 1.00 16.34 C ATOM 860 O ASN A 54 14.507 43.926 12.232 1.00 15.61 O ATOM 861 CB ASN A 54 15.583 45.882 14.583 1.00 24.12 C ATOM 862 CG ASN A 54 16.448 46.167 15.812 1.00 35.27 C ATOM 863 OD1 ASN A 54 17.254 45.348 16.207 1.00 45.21 O ATOM 864 ND2 ASN A 54 16.314 47.304 16.439 1.00 37.58 N ATOM 0 H ASN A 54 18.017 45.405 14.358 1.00 13.94 H new ATOM 0 HA ASN A 54 15.765 43.732 14.427 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.617 46.729 13.898 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.542 45.753 14.880 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.886 47.504 17.260 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.638 47.992 16.108 1.00 37.58 H new ATOM 871 N GLU A 55 16.125 45.219 11.523 1.00 16.09 N ATOM 872 CA GLU A 55 15.579 45.192 10.135 1.00 15.04 C ATOM 873 C GLU A 55 15.660 43.774 9.562 1.00 15.56 C ATOM 874 O GLU A 55 14.718 43.287 8.969 1.00 18.95 O ATOM 875 CB GLU A 55 16.375 46.153 9.252 1.00 18.55 C ATOM 876 CG GLU A 55 15.945 47.588 9.557 1.00 23.55 C ATOM 877 CD GLU A 55 14.564 47.847 8.951 1.00 30.41 C ATOM 878 OE1 GLU A 55 13.583 47.595 9.632 1.00 33.02 O ATOM 879 OE2 GLU A 55 14.510 48.292 7.817 1.00 31.49 O ATOM 0 H GLU A 55 16.973 45.771 11.649 1.00 16.09 H new ATOM 0 HA GLU A 55 14.534 45.502 10.159 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.443 46.034 9.435 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.204 45.925 8.200 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.917 47.749 10.635 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.671 48.291 9.148 1.00 23.55 H new ATOM 886 N ILE A 56 16.769 43.104 9.724 1.00 9.56 N ATOM 887 CA ILE A 56 16.879 41.725 9.171 1.00 8.91 C ATOM 888 C ILE A 56 15.899 40.796 9.896 1.00 7.70 C ATOM 889 O ILE A 56 15.068 40.165 9.276 1.00 9.84 O ATOM 890 CB ILE A 56 18.309 41.204 9.340 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.224 41.858 8.291 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.323 39.681 9.150 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.795 43.165 8.844 1.00 8.03 C ATOM 0 H ILE A 56 17.596 43.449 10.211 1.00 9.56 H new ATOM 0 HA ILE A 56 16.634 41.748 8.109 1.00 8.91 H new ATOM 0 HB ILE A 56 18.669 41.451 10.339 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.035 41.179 8.028 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.663 42.053 7.377 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.340 39.309 9.270 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.676 39.216 9.894 1.00 2.31 H new ATOM 0 HG23 ILE A 56 17.962 39.436 8.151 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.442 43.624 8.097 1.00 8.03 H new ATOM 0 HD12 ILE A 56 18.978 43.846 9.084 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.372 42.958 9.745 1.00 8.03 H new ATOM 905 N GLN A 57 15.975 40.704 11.199 1.00 7.49 N ATOM 906 CA GLN A 57 15.026 39.805 11.918 1.00 6.88 C ATOM 907 C GLN A 57 13.617 40.226 11.542 1.00 9.50 C ATOM 908 O GLN A 57 12.764 39.410 11.254 1.00 11.03 O ATOM 909 CB GLN A 57 15.200 39.949 13.430 1.00 11.02 C ATOM 910 CG GLN A 57 16.683 40.140 13.763 1.00 12.13 C ATOM 911 CD GLN A 57 17.022 39.407 15.065 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.500 38.291 15.040 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.791 39.993 16.208 1.00 17.84 N ATOM 0 H GLN A 57 16.642 41.204 11.787 1.00 7.49 H new ATOM 0 HA GLN A 57 15.216 38.768 11.642 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.623 40.800 13.793 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.815 39.064 13.936 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.300 39.759 12.949 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.909 41.202 13.863 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.390 40.930 16.229 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.012 39.514 17.081 1.00 17.84 H new ATOM 922 N ASP A 58 13.376 41.504 11.516 1.00 13.48 N ATOM 923 CA ASP A 58 12.032 41.985 11.126 1.00 13.94 C ATOM 924 C ASP A 58 11.731 41.402 9.753 1.00 13.32 C ATOM 925 O ASP A 58 10.611 41.052 9.438 1.00 14.28 O ATOM 926 CB ASP A 58 12.036 43.513 11.049 1.00 12.80 C ATOM 927 CG ASP A 58 11.902 44.100 12.455 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.466 43.525 13.372 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.235 45.112 12.592 1.00 18.84 O ATOM 0 H ASP A 58 14.052 42.232 11.748 1.00 13.48 H new ATOM 0 HA ASP A 58 11.280 41.678 11.853 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.959 43.861 10.586 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.214 43.857 10.421 1.00 12.80 H new ATOM 934 N TYR A 59 12.745 41.274 8.942 1.00 12.69 N ATOM 935 CA TYR A 59 12.544 40.686 7.590 1.00 10.10 C ATOM 936 C TYR A 59 12.417 39.168 7.726 1.00 7.75 C ATOM 937 O TYR A 59 11.531 38.559 7.160 1.00 5.81 O ATOM 938 CB TYR A 59 13.727 41.025 6.684 1.00 12.40 C ATOM 939 CG TYR A 59 13.382 40.646 5.264 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.719 41.558 4.435 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.718 39.378 4.780 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.394 41.202 3.121 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.395 39.020 3.466 1.00 10.94 C ATOM 944 CZ TYR A 59 12.732 39.932 2.636 1.00 9.37 C ATOM 945 OH TYR A 59 12.411 39.580 1.341 1.00 12.99 O ATOM 0 H TYR A 59 13.703 41.551 9.158 1.00 12.69 H new ATOM 0 HA TYR A 59 11.638 41.098 7.146 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.955 42.089 6.745 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.618 40.489 7.011 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.458 42.537 4.809 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.228 38.674 5.421 1.00 6.81 H new ATOM 0 HE1 TYR A 59 11.883 41.906 2.481 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.657 38.041 3.093 1.00 10.94 H new ATOM 0 HH TYR A 59 13.172 39.767 0.753 1.00 12.99 H new ATOM 955 N LEU A 60 13.285 38.547 8.487 1.00 10.71 N ATOM 956 CA LEU A 60 13.184 37.070 8.660 1.00 11.04 C ATOM 957 C LEU A 60 11.768 36.752 9.119 1.00 10.32 C ATOM 958 O LEU A 60 11.180 35.759 8.740 1.00 14.61 O ATOM 959 CB LEU A 60 14.179 36.586 9.722 1.00 7.24 C ATOM 960 CG LEU A 60 15.613 36.943 9.312 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.593 36.408 10.363 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.935 36.317 7.949 1.00 7.23 C ATOM 0 H LEU A 60 14.050 38.996 8.990 1.00 10.71 H new ATOM 0 HA LEU A 60 13.413 36.570 7.719 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.945 37.042 10.684 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.088 35.507 9.850 1.00 7.24 H new ATOM 0 HG LEU A 60 15.707 38.027 9.242 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.612 36.661 10.072 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.369 36.857 11.331 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.495 35.325 10.434 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.955 36.574 7.663 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.838 35.233 8.014 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.241 36.699 7.200 1.00 7.23 H new ATOM 974 N GLN A 61 11.215 37.608 9.926 1.00 10.78 N ATOM 975 CA GLN A 61 9.832 37.397 10.415 1.00 11.72 C ATOM 976 C GLN A 61 8.878 37.379 9.217 1.00 14.05 C ATOM 977 O GLN A 61 8.153 36.430 9.001 1.00 14.24 O ATOM 978 CB GLN A 61 9.468 38.553 11.349 1.00 17.47 C ATOM 979 CG GLN A 61 8.071 38.338 11.932 1.00 25.06 C ATOM 980 CD GLN A 61 8.149 37.389 13.130 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.218 36.948 13.502 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.053 37.057 13.755 1.00 30.05 N ATOM 0 H GLN A 61 11.669 38.454 10.271 1.00 10.78 H new ATOM 0 HA GLN A 61 9.755 36.451 10.951 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.199 38.624 12.154 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.502 39.496 10.803 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.645 39.293 12.240 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.409 37.924 11.171 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.155 37.427 13.442 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.094 36.427 14.556 1.00 30.05 H new ATOM 991 N GLN A 62 8.872 38.426 8.438 1.00 15.71 N ATOM 992 CA GLN A 62 7.965 38.480 7.259 1.00 18.54 C ATOM 993 C GLN A 62 8.372 37.418 6.233 1.00 19.36 C ATOM 994 O GLN A 62 7.541 36.849 5.554 1.00 19.52 O ATOM 995 CB GLN A 62 8.058 39.869 6.624 1.00 25.59 C ATOM 996 CG GLN A 62 7.014 40.007 5.512 1.00 34.08 C ATOM 997 CD GLN A 62 7.552 39.396 4.215 1.00 38.28 C ATOM 998 OE1 GLN A 62 8.742 39.405 3.972 1.00 41.81 O ATOM 999 NE2 GLN A 62 6.717 38.864 3.366 1.00 36.81 N ATOM 0 H GLN A 62 9.459 39.250 8.569 1.00 15.71 H new ATOM 0 HA GLN A 62 6.941 38.285 7.579 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.898 40.636 7.382 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.057 40.026 6.218 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.090 39.507 5.804 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.772 41.058 5.356 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.718 38.856 3.570 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.063 38.455 2.498 1.00 36.81 H new ATOM 1008 N LEU A 63 9.643 37.149 6.107 1.00 17.09 N ATOM 1009 CA LEU A 63 10.092 36.127 5.117 1.00 16.00 C ATOM 1010 C LEU A 63 9.569 34.749 5.519 1.00 11.34 C ATOM 1011 O LEU A 63 8.956 34.052 4.735 1.00 10.68 O ATOM 1012 CB LEU A 63 11.623 36.097 5.067 1.00 19.91 C ATOM 1013 CG LEU A 63 12.094 35.079 4.020 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.714 35.558 2.613 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.615 34.929 4.113 1.00 19.51 C ATOM 0 H LEU A 63 10.389 37.591 6.645 1.00 17.09 H new ATOM 0 HA LEU A 63 9.700 36.387 4.134 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.007 37.087 4.822 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.022 35.834 6.047 1.00 19.91 H new ATOM 0 HG LEU A 63 11.614 34.119 4.210 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.052 34.829 1.877 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.631 35.666 2.545 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.188 36.520 2.416 1.00 21.25 H new ATOM 0 HD21 LEU A 63 13.955 34.207 3.371 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.088 35.893 3.925 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.886 34.581 5.110 1.00 19.51 H new ATOM 1027 N THR A 64 9.819 34.352 6.733 1.00 10.04 N ATOM 1028 CA THR A 64 9.352 33.012 7.202 1.00 8.87 C ATOM 1029 C THR A 64 8.227 33.189 8.223 1.00 10.75 C ATOM 1030 O THR A 64 7.113 32.751 8.014 1.00 11.38 O ATOM 1031 CB THR A 64 10.523 32.262 7.854 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.491 32.465 9.260 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.849 32.783 7.294 1.00 6.96 C ATOM 0 H THR A 64 10.329 34.898 7.427 1.00 10.04 H new ATOM 0 HA THR A 64 8.981 32.440 6.352 1.00 8.87 H new ATOM 0 HB THR A 64 10.434 31.198 7.636 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.270 32.994 9.532 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.676 32.248 7.760 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.876 32.625 6.216 1.00 6.96 H new ATOM 0 HG23 THR A 64 11.940 33.848 7.507 1.00 6.96 H new ATOM 1041 N GLY A 65 8.508 33.825 9.329 1.00 10.19 N ATOM 1042 CA GLY A 65 7.452 34.026 10.362 1.00 13.28 C ATOM 1043 C GLY A 65 8.096 34.120 11.745 1.00 14.66 C ATOM 1044 O GLY A 65 7.668 34.884 12.588 1.00 14.79 O ATOM 0 H GLY A 65 9.422 34.213 9.561 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.890 34.935 10.149 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.742 33.199 10.336 1.00 13.28 H new ATOM 1048 N ALA A 66 9.117 33.342 11.991 1.00 12.02 N ATOM 1049 CA ALA A 66 9.784 33.377 13.326 1.00 9.85 C ATOM 1050 C ALA A 66 11.081 34.184 13.259 1.00 14.04 C ATOM 1051 O ALA A 66 11.921 33.974 12.407 1.00 17.81 O ATOM 1052 CB ALA A 66 10.102 31.949 13.771 1.00 13.74 C ATOM 0 H ALA A 66 9.518 32.683 11.324 1.00 12.02 H new ATOM 0 HA ALA A 66 9.111 33.851 14.041 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.589 31.972 14.746 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.178 31.375 13.840 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.766 31.481 13.044 1.00 13.74 H new ATOM 1058 N ARG A 67 11.247 35.096 14.175 1.00 15.81 N ATOM 1059 CA ARG A 67 12.481 35.926 14.218 1.00 16.07 C ATOM 1060 C ARG A 67 13.424 35.326 15.265 1.00 14.37 C ATOM 1061 O ARG A 67 14.085 36.028 16.004 1.00 14.43 O ATOM 1062 CB ARG A 67 12.093 37.350 14.625 1.00 15.97 C ATOM 1063 CG ARG A 67 11.197 37.312 15.881 1.00 17.12 C ATOM 1064 CD ARG A 67 11.879 38.043 17.039 1.00 22.31 C ATOM 1065 NE ARG A 67 11.851 39.511 16.790 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.074 40.342 17.771 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.320 39.887 18.969 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.051 41.629 17.555 1.00 21.50 N ATOM 0 H ARG A 67 10.568 35.304 14.907 1.00 15.81 H new ATOM 0 HA ARG A 67 12.974 35.947 13.246 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.989 37.937 14.825 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.566 37.841 13.807 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.235 37.776 15.664 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.996 36.278 16.162 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.372 37.813 17.976 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.909 37.701 17.142 1.00 22.31 H new ATOM 0 HE ARG A 67 11.658 39.866 15.854 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.338 38.881 19.139 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.494 40.537 19.736 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.859 41.986 16.619 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.225 42.278 18.322 1.00 21.50 H new ATOM 1082 N THR A 68 13.453 34.024 15.351 1.00 13.52 N ATOM 1083 CA THR A 68 14.305 33.344 16.369 1.00 14.97 C ATOM 1084 C THR A 68 15.753 33.186 15.883 1.00 12.85 C ATOM 1085 O THR A 68 16.069 33.376 14.725 1.00 10.80 O ATOM 1086 CB THR A 68 13.707 31.955 16.646 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.593 31.747 15.791 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.251 31.855 18.104 1.00 14.06 C ATOM 0 H THR A 68 12.917 33.395 14.753 1.00 13.52 H new ATOM 0 HA THR A 68 14.324 33.952 17.273 1.00 14.97 H new ATOM 0 HB THR A 68 14.467 31.197 16.460 1.00 13.06 H new ATOM 0 HG1 THR A 68 12.433 30.785 15.690 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.830 30.866 18.286 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.104 32.013 18.764 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.494 32.614 18.301 1.00 14.06 H new ATOM 1096 N VAL A 69 16.623 32.808 16.787 1.00 8.20 N ATOM 1097 CA VAL A 69 18.061 32.587 16.451 1.00 5.92 C ATOM 1098 C VAL A 69 18.387 31.125 16.798 1.00 5.25 C ATOM 1099 O VAL A 69 18.077 30.693 17.887 1.00 5.78 O ATOM 1100 CB VAL A 69 18.927 33.513 17.318 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.353 33.575 16.768 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.325 34.921 17.328 1.00 4.08 C ATOM 0 H VAL A 69 16.389 32.640 17.766 1.00 8.20 H new ATOM 0 HA VAL A 69 18.255 32.794 15.399 1.00 5.92 H new ATOM 0 HB VAL A 69 18.954 33.118 18.333 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.955 34.235 17.392 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.788 32.576 16.771 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.333 33.959 15.748 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.941 35.576 17.944 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.289 35.309 16.310 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.316 34.882 17.737 1.00 4.08 H new ATOM 1112 N PRO A 70 18.976 30.379 15.893 1.00 5.33 N ATOM 1113 CA PRO A 70 19.388 30.835 14.546 1.00 6.04 C ATOM 1114 C PRO A 70 18.192 30.960 13.598 1.00 7.79 C ATOM 1115 O PRO A 70 17.043 30.903 13.988 1.00 7.15 O ATOM 1116 CB PRO A 70 20.304 29.704 14.042 1.00 3.22 C ATOM 1117 CG PRO A 70 20.026 28.468 14.929 1.00 6.88 C ATOM 1118 CD PRO A 70 19.279 28.965 16.174 1.00 6.17 C ATOM 0 HA PRO A 70 19.862 31.816 14.583 1.00 6.04 H new ATOM 0 HB2 PRO A 70 20.101 29.481 12.995 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.352 29.998 14.108 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.429 27.733 14.389 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.958 27.977 15.209 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.368 28.392 16.343 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.891 28.862 17.070 1.00 6.17 H new ATOM 1126 N ARG A 71 18.495 31.094 12.340 1.00 6.15 N ATOM 1127 CA ARG A 71 17.457 31.186 11.282 1.00 7.10 C ATOM 1128 C ARG A 71 18.083 30.554 10.037 1.00 4.23 C ATOM 1129 O ARG A 71 18.768 31.202 9.271 1.00 6.47 O ATOM 1130 CB ARG A 71 17.096 32.659 11.033 1.00 10.23 C ATOM 1131 CG ARG A 71 15.639 32.917 11.441 1.00 15.67 C ATOM 1132 CD ARG A 71 14.686 32.096 10.558 1.00 20.29 C ATOM 1133 NE ARG A 71 13.815 31.256 11.429 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.745 30.694 10.937 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.444 30.854 9.678 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.978 29.969 11.705 1.00 23.53 N ATOM 0 H ARG A 71 19.452 31.145 11.991 1.00 6.15 H new ATOM 0 HA ARG A 71 16.535 30.676 11.560 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.762 33.307 11.603 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.237 32.904 9.980 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.495 32.652 12.488 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.410 33.978 11.346 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.076 32.760 9.945 1.00 20.29 H new ATOM 0 HD3 ARG A 71 15.256 31.465 9.876 1.00 20.29 H new ATOM 0 HE ARG A 71 14.056 31.120 12.411 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.045 31.419 9.078 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.608 30.415 9.294 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.215 29.842 12.689 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.141 29.529 11.321 1.00 23.53 H new ATOM 1150 N VAL A 72 17.911 29.271 9.880 1.00 4.55 N ATOM 1151 CA VAL A 72 18.555 28.552 8.743 1.00 6.53 C ATOM 1152 C VAL A 72 17.715 28.633 7.466 1.00 8.68 C ATOM 1153 O VAL A 72 16.514 28.815 7.500 1.00 6.48 O ATOM 1154 CB VAL A 72 18.729 27.089 9.145 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.365 26.321 7.991 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.627 27.000 10.386 1.00 3.35 C ATOM 0 H VAL A 72 17.347 28.684 10.495 1.00 4.55 H new ATOM 0 HA VAL A 72 19.516 29.021 8.531 1.00 6.53 H new ATOM 0 HB VAL A 72 17.756 26.655 9.376 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.491 25.276 8.275 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.721 26.384 7.114 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.338 26.753 7.759 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.750 25.955 10.672 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.602 27.432 10.161 1.00 3.35 H new ATOM 0 HG23 VAL A 72 19.167 27.549 11.208 1.00 3.35 H new ATOM 1166 N PHE A 73 18.362 28.501 6.331 1.00 5.39 N ATOM 1167 CA PHE A 73 17.637 28.569 5.029 1.00 6.90 C ATOM 1168 C PHE A 73 18.273 27.618 4.008 1.00 7.16 C ATOM 1169 O PHE A 73 19.146 28.015 3.262 1.00 14.07 O ATOM 1170 CB PHE A 73 17.741 29.986 4.459 1.00 6.44 C ATOM 1171 CG PHE A 73 16.816 30.927 5.188 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.270 31.613 6.318 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.513 31.133 4.719 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.422 32.505 6.981 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.664 32.024 5.386 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.119 32.711 6.516 1.00 7.54 C ATOM 0 H PHE A 73 19.368 28.348 6.255 1.00 5.39 H new ATOM 0 HA PHE A 73 16.598 28.290 5.206 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.768 30.342 4.542 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.493 29.975 3.398 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.275 31.454 6.679 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.163 30.605 3.844 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.773 33.036 7.853 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.657 32.181 5.028 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.465 33.400 7.029 1.00 7.54 H new ATOM 1186 N ILE A 74 17.834 26.391 3.913 1.00 5.91 N ATOM 1187 CA ILE A 74 18.433 25.510 2.870 1.00 7.08 C ATOM 1188 C ILE A 74 17.898 26.023 1.539 1.00 8.52 C ATOM 1189 O ILE A 74 16.712 25.969 1.283 1.00 6.64 O ATOM 1190 CB ILE A 74 18.013 24.045 3.058 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.729 23.436 4.268 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.409 23.255 1.808 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.584 24.356 5.476 1.00 9.34 C ATOM 0 H ILE A 74 17.108 25.970 4.494 1.00 5.91 H new ATOM 0 HA ILE A 74 19.521 25.538 2.925 1.00 7.08 H new ATOM 0 HB ILE A 74 16.936 24.001 3.219 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.309 22.456 4.494 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.784 23.286 4.039 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.116 22.212 1.929 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.905 23.675 0.937 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.488 23.315 1.667 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.096 23.916 6.332 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.025 25.327 5.249 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.527 24.484 5.711 1.00 9.34 H new ATOM 1205 N GLY A 75 18.734 26.574 0.708 1.00 9.27 N ATOM 1206 CA GLY A 75 18.207 27.136 -0.560 1.00 9.68 C ATOM 1207 C GLY A 75 17.256 28.268 -0.171 1.00 12.42 C ATOM 1208 O GLY A 75 17.398 28.859 0.880 1.00 11.15 O ATOM 0 H GLY A 75 19.741 26.659 0.848 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.018 27.508 -1.186 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.685 26.372 -1.136 1.00 9.68 H new ATOM 1212 N LYS A 76 16.279 28.573 -0.974 1.00 14.40 N ATOM 1213 CA LYS A 76 15.335 29.659 -0.585 1.00 16.68 C ATOM 1214 C LYS A 76 14.261 29.081 0.343 1.00 16.27 C ATOM 1215 O LYS A 76 13.375 29.779 0.795 1.00 14.00 O ATOM 1216 CB LYS A 76 14.670 30.244 -1.835 1.00 23.46 C ATOM 1217 CG LYS A 76 15.706 31.015 -2.669 1.00 30.10 C ATOM 1218 CD LYS A 76 15.021 32.176 -3.399 1.00 38.66 C ATOM 1219 CE LYS A 76 15.882 32.622 -4.584 1.00 42.17 C ATOM 1220 NZ LYS A 76 17.251 32.966 -4.106 1.00 44.86 N ATOM 0 H LYS A 76 16.092 28.126 -1.872 1.00 14.40 H new ATOM 0 HA LYS A 76 15.882 30.449 -0.071 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.232 29.444 -2.432 1.00 23.46 H new ATOM 0 HB3 LYS A 76 13.856 30.909 -1.547 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.497 31.395 -2.023 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.177 30.347 -3.390 1.00 30.10 H new ATOM 0 HD2 LYS A 76 14.036 31.867 -3.749 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.869 33.010 -2.714 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.935 31.827 -5.328 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.429 33.485 -5.072 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 17.946 32.728 -4.842 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 17.301 33.984 -3.899 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 17.463 32.427 -3.242 1.00 44.86 H new ATOM 1234 N ASP A 77 14.326 27.804 0.621 1.00 0.00 N ATOM 1235 CA ASP A 77 13.304 27.170 1.507 1.00 0.00 C ATOM 1236 C ASP A 77 13.734 27.251 2.977 1.00 0.00 C ATOM 1237 O ASP A 77 14.718 26.662 3.379 1.00 0.00 O ATOM 1238 CB ASP A 77 13.142 25.702 1.112 1.00 0.00 C ATOM 1239 CG ASP A 77 12.840 25.608 -0.384 1.00 0.00 C ATOM 1240 OD1 ASP A 77 13.783 25.523 -1.154 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.672 25.623 -0.734 1.00 0.00 O ATOM 0 H ASP A 77 15.045 27.171 0.271 1.00 0.00 H new ATOM 0 HA ASP A 77 12.360 27.701 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.052 25.149 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.335 25.247 1.686 1.00 0.00 H new ATOM 1246 N SER A 78 12.992 27.961 3.785 1.00 0.00 N ATOM 1247 CA SER A 78 13.344 28.063 5.232 1.00 0.00 C ATOM 1248 C SER A 78 13.008 26.743 5.934 1.00 0.00 C ATOM 1249 O SER A 78 12.100 26.040 5.539 1.00 0.00 O ATOM 1250 CB SER A 78 12.541 29.193 5.876 1.00 0.00 C ATOM 1251 OG SER A 78 12.877 29.281 7.255 1.00 0.00 O ATOM 0 H SER A 78 12.157 28.475 3.505 1.00 0.00 H new ATOM 0 HA SER A 78 14.410 28.270 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.756 30.138 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.473 29.007 5.761 1.00 0.00 H new ATOM 0 HG SER A 78 12.073 29.139 7.797 1.00 0.00 H new ATOM 1257 N ILE A 79 13.723 26.405 6.980 1.00 14.84 N ATOM 1258 CA ILE A 79 13.427 25.134 7.710 1.00 16.24 C ATOM 1259 C ILE A 79 12.999 25.454 9.146 1.00 13.64 C ATOM 1260 O ILE A 79 12.272 24.702 9.765 1.00 15.36 O ATOM 1261 CB ILE A 79 14.667 24.234 7.735 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.875 24.997 8.315 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.987 23.770 6.311 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.702 24.059 9.205 1.00 20.45 C ATOM 0 H ILE A 79 14.496 26.953 7.358 1.00 14.84 H new ATOM 0 HA ILE A 79 12.621 24.612 7.195 1.00 16.24 H new ATOM 0 HB ILE A 79 14.464 23.370 8.367 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.494 25.386 7.506 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.532 25.854 8.894 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.869 23.130 6.327 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.140 23.212 5.911 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.180 24.638 5.680 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.555 24.602 9.613 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.081 23.692 10.022 1.00 20.45 H new ATOM 0 HD13 ILE A 79 17.058 23.216 8.613 1.00 20.45 H new ATOM 1276 N GLY A 80 13.441 26.563 9.682 1.00 12.42 N ATOM 1277 CA GLY A 80 13.053 26.927 11.078 1.00 13.73 C ATOM 1278 C GLY A 80 14.268 27.479 11.829 1.00 12.94 C ATOM 1279 O GLY A 80 15.114 28.141 11.261 1.00 13.82 O ATOM 0 H GLY A 80 14.053 27.231 9.214 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.256 27.671 11.061 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.661 26.052 11.596 1.00 13.73 H new ATOM 1283 N GLY A 81 14.355 27.213 13.108 1.00 12.24 N ATOM 1284 CA GLY A 81 15.507 27.722 13.914 1.00 10.24 C ATOM 1285 C GLY A 81 16.439 26.568 14.280 1.00 11.98 C ATOM 1286 O GLY A 81 16.646 25.653 13.508 1.00 12.42 O ATOM 0 H GLY A 81 13.674 26.662 13.631 1.00 12.24 H new ATOM 0 HA2 GLY A 81 16.053 28.476 13.347 1.00 10.24 H new ATOM 0 HA3 GLY A 81 15.142 28.207 14.819 1.00 10.24 H new ATOM 1290 N SER A 82 17.012 26.613 15.451 1.00 0.00 N ATOM 1291 CA SER A 82 17.944 25.531 15.873 1.00 0.00 C ATOM 1292 C SER A 82 17.164 24.247 16.149 1.00 0.00 C ATOM 1293 O SER A 82 17.362 23.236 15.506 1.00 0.00 O ATOM 1294 CB SER A 82 18.674 25.963 17.144 1.00 0.00 C ATOM 1295 OG SER A 82 18.993 24.814 17.918 1.00 0.00 O ATOM 0 H SER A 82 16.874 27.356 16.136 1.00 0.00 H new ATOM 0 HA SER A 82 18.664 25.347 15.076 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.583 26.506 16.888 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.049 26.643 17.723 1.00 0.00 H new ATOM 0 HG SER A 82 19.463 25.089 18.733 1.00 0.00 H new ATOM 1301 N SER A 83 16.284 24.281 17.106 1.00 0.00 N ATOM 1302 CA SER A 83 15.492 23.062 17.438 1.00 0.00 C ATOM 1303 C SER A 83 14.814 22.533 16.176 1.00 0.00 C ATOM 1304 O SER A 83 14.515 21.361 16.063 1.00 0.00 O ATOM 1305 CB SER A 83 14.432 23.410 18.484 1.00 0.00 C ATOM 1306 OG SER A 83 13.422 22.411 18.480 1.00 0.00 O ATOM 0 H SER A 83 16.076 25.101 17.676 1.00 0.00 H new ATOM 0 HA SER A 83 16.156 22.296 17.838 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.888 23.478 19.472 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.996 24.385 18.266 1.00 0.00 H new ATOM 0 HG SER A 83 12.742 22.631 19.151 1.00 0.00 H new ATOM 1312 N ASP A 84 14.574 23.386 15.224 1.00 12.98 N ATOM 1313 CA ASP A 84 13.925 22.930 13.963 1.00 14.53 C ATOM 1314 C ASP A 84 14.944 22.152 13.128 1.00 11.28 C ATOM 1315 O ASP A 84 14.664 21.084 12.621 1.00 12.09 O ATOM 1316 CB ASP A 84 13.437 24.144 13.171 1.00 17.72 C ATOM 1317 CG ASP A 84 12.315 24.842 13.942 1.00 19.35 C ATOM 1318 OD1 ASP A 84 11.338 24.182 14.254 1.00 21.94 O ATOM 1319 OD2 ASP A 84 12.453 26.025 14.207 1.00 27.06 O ATOM 0 H ASP A 84 14.798 24.380 15.262 1.00 12.98 H new ATOM 0 HA ASP A 84 13.076 22.288 14.199 1.00 14.53 H new ATOM 0 HB2 ASP A 84 14.262 24.837 13.003 1.00 17.72 H new ATOM 0 HB3 ASP A 84 13.078 23.831 12.190 1.00 17.72 H new ATOM 1324 N LEU A 85 16.124 22.687 12.985 1.00 11.34 N ATOM 1325 CA LEU A 85 17.177 21.997 12.185 1.00 11.04 C ATOM 1326 C LEU A 85 17.384 20.575 12.712 1.00 12.09 C ATOM 1327 O LEU A 85 17.233 19.605 11.995 1.00 11.43 O ATOM 1328 CB LEU A 85 18.493 22.772 12.314 1.00 9.45 C ATOM 1329 CG LEU A 85 19.461 22.357 11.195 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.702 23.255 11.230 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.887 20.896 11.387 1.00 15.31 C ATOM 0 H LEU A 85 16.407 23.579 13.390 1.00 11.34 H new ATOM 0 HA LEU A 85 16.866 21.955 11.141 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.300 23.843 12.260 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.945 22.578 13.287 1.00 9.45 H new ATOM 0 HG LEU A 85 18.959 22.463 10.233 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.388 22.959 10.436 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.404 24.293 11.084 1.00 12.34 H new ATOM 0 HD13 LEU A 85 21.199 23.152 12.195 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.573 20.609 10.590 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.384 20.786 12.351 1.00 15.31 H new ATOM 0 HD23 LEU A 85 19.007 20.253 11.357 1.00 15.31 H new ATOM 1343 N VAL A 86 17.754 20.450 13.955 1.00 0.00 N ATOM 1344 CA VAL A 86 18.008 19.095 14.532 1.00 0.00 C ATOM 1345 C VAL A 86 16.825 18.165 14.256 1.00 0.00 C ATOM 1346 O VAL A 86 17.004 17.054 13.805 1.00 0.00 O ATOM 1347 CB VAL A 86 18.236 19.204 16.050 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.735 19.126 16.351 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.689 20.538 16.565 1.00 0.00 C ATOM 0 H VAL A 86 17.893 21.228 14.600 1.00 0.00 H new ATOM 0 HA VAL A 86 18.899 18.681 14.061 1.00 0.00 H new ATOM 0 HB VAL A 86 17.718 18.384 16.546 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.895 19.203 17.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.129 18.175 15.993 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.250 19.944 15.848 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.854 20.608 17.640 1.00 0.00 H new ATOM 0 HG22 VAL A 86 18.202 21.359 16.065 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.621 20.598 16.357 1.00 0.00 H new ATOM 1359 N SER A 87 15.625 18.592 14.520 1.00 14.12 N ATOM 1360 CA SER A 87 14.460 17.699 14.266 1.00 14.37 C ATOM 1361 C SER A 87 14.555 17.135 12.845 1.00 13.29 C ATOM 1362 O SER A 87 14.314 15.967 12.610 1.00 11.18 O ATOM 1363 CB SER A 87 13.162 18.498 14.413 1.00 13.30 C ATOM 1364 OG SER A 87 12.083 17.602 14.644 1.00 21.79 O ATOM 0 H SER A 87 15.399 19.512 14.897 1.00 14.12 H new ATOM 0 HA SER A 87 14.464 16.880 14.985 1.00 14.37 H new ATOM 0 HB2 SER A 87 13.247 19.204 15.239 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.978 19.083 13.512 1.00 13.30 H new ATOM 0 HG SER A 87 11.251 18.110 14.740 1.00 21.79 H new ATOM 1370 N LEU A 88 14.891 17.963 11.896 1.00 0.00 N ATOM 1371 CA LEU A 88 14.992 17.496 10.484 1.00 0.00 C ATOM 1372 C LEU A 88 16.253 16.651 10.262 1.00 0.00 C ATOM 1373 O LEU A 88 16.253 15.723 9.478 1.00 0.00 O ATOM 1374 CB LEU A 88 15.039 18.713 9.563 1.00 0.00 C ATOM 1375 CG LEU A 88 13.823 19.604 9.826 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.004 20.934 9.095 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.551 18.913 9.320 1.00 0.00 C ATOM 0 H LEU A 88 15.102 18.951 12.038 1.00 0.00 H new ATOM 0 HA LEU A 88 14.123 16.876 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.957 19.275 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.049 18.393 8.521 1.00 0.00 H new ATOM 0 HG LEU A 88 13.732 19.782 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.139 21.571 9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.904 21.429 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.097 20.751 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.689 19.553 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.638 18.730 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.421 17.964 9.841 1.00 0.00 H new ATOM 1389 N GLN A 89 17.335 16.977 10.913 1.00 0.00 N ATOM 1390 CA GLN A 89 18.592 16.201 10.696 1.00 0.00 C ATOM 1391 C GLN A 89 18.377 14.729 11.062 1.00 0.00 C ATOM 1392 O GLN A 89 18.518 13.850 10.235 1.00 0.00 O ATOM 1393 CB GLN A 89 19.713 16.787 11.563 1.00 0.00 C ATOM 1394 CG GLN A 89 21.076 16.390 10.985 1.00 0.00 C ATOM 1395 CD GLN A 89 21.202 14.866 10.951 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.245 14.225 11.982 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.264 14.254 9.800 1.00 0.00 N ATOM 0 H GLN A 89 17.405 17.743 11.583 1.00 0.00 H new ATOM 0 HA GLN A 89 18.870 16.266 9.644 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.626 17.873 11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.622 16.424 12.587 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.187 16.795 9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.876 16.817 11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.228 14.792 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.348 13.238 9.766 1.00 0.00 H new ATOM 1406 N GLN A 90 18.054 14.450 12.293 1.00 0.00 N ATOM 1407 CA GLN A 90 17.852 13.036 12.704 1.00 0.00 C ATOM 1408 C GLN A 90 16.692 12.422 11.921 1.00 0.00 C ATOM 1409 O GLN A 90 16.572 11.218 11.814 1.00 0.00 O ATOM 1410 CB GLN A 90 17.562 12.968 14.206 1.00 0.00 C ATOM 1411 CG GLN A 90 16.463 13.964 14.587 1.00 0.00 C ATOM 1412 CD GLN A 90 15.093 13.395 14.216 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.974 12.236 13.874 1.00 0.00 O ATOM 1414 NE2 GLN A 90 14.046 14.172 14.271 1.00 0.00 N ATOM 0 H GLN A 90 17.921 15.141 13.032 1.00 0.00 H new ATOM 0 HA GLN A 90 18.760 12.472 12.489 1.00 0.00 H new ATOM 0 HB2 GLN A 90 17.255 11.958 14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.470 13.187 14.768 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.503 14.171 15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.624 14.911 14.073 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.148 15.145 14.559 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.126 13.806 14.027 1.00 0.00 H new ATOM 1423 N SER A 91 15.839 13.238 11.374 1.00 0.00 N ATOM 1424 CA SER A 91 14.686 12.696 10.597 1.00 0.00 C ATOM 1425 C SER A 91 15.137 12.359 9.173 1.00 0.00 C ATOM 1426 O SER A 91 14.538 11.545 8.498 1.00 0.00 O ATOM 1427 CB SER A 91 13.571 13.739 10.548 1.00 0.00 C ATOM 1428 OG SER A 91 13.111 13.996 11.868 1.00 0.00 O ATOM 0 H SER A 91 15.887 14.255 11.429 1.00 0.00 H new ATOM 0 HA SER A 91 14.317 11.792 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.937 14.659 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.750 13.381 9.927 1.00 0.00 H new ATOM 0 HG SER A 91 13.156 14.958 12.049 1.00 0.00 H new ATOM 1434 N GLY A 92 16.195 12.969 8.719 1.00 19.34 N ATOM 1435 CA GLY A 92 16.700 12.678 7.344 1.00 19.37 C ATOM 1436 C GLY A 92 16.055 13.622 6.327 1.00 22.29 C ATOM 1437 O GLY A 92 16.493 13.720 5.198 1.00 25.64 O ATOM 0 H GLY A 92 16.735 13.659 9.241 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.784 12.790 7.317 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.479 11.644 7.080 1.00 19.37 H new ATOM 1441 N GLU A 93 15.025 14.322 6.710 1.00 22.54 N ATOM 1442 CA GLU A 93 14.371 15.255 5.754 1.00 24.53 C ATOM 1443 C GLU A 93 15.328 16.414 5.467 1.00 23.48 C ATOM 1444 O GLU A 93 15.297 17.021 4.415 1.00 22.85 O ATOM 1445 CB GLU A 93 13.079 15.790 6.372 1.00 27.50 C ATOM 1446 CG GLU A 93 12.330 16.633 5.341 1.00 36.43 C ATOM 1447 CD GLU A 93 11.806 15.731 4.221 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.931 14.927 4.495 1.00 50.26 O ATOM 1449 OE2 GLU A 93 12.288 15.862 3.108 1.00 42.86 O ATOM 0 H GLU A 93 14.609 14.288 7.641 1.00 22.54 H new ATOM 0 HA GLU A 93 14.133 14.736 4.825 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.453 14.962 6.704 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.306 16.391 7.252 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.501 17.156 5.818 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.992 17.394 4.929 1.00 36.43 H new ATOM 1456 N LEU A 94 16.179 16.720 6.403 1.00 24.17 N ATOM 1457 CA LEU A 94 17.152 17.831 6.209 1.00 22.19 C ATOM 1458 C LEU A 94 18.038 17.553 5.002 1.00 22.62 C ATOM 1459 O LEU A 94 18.022 18.270 4.022 1.00 21.76 O ATOM 1460 CB LEU A 94 18.037 17.933 7.443 1.00 23.15 C ATOM 1461 CG LEU A 94 18.900 19.198 7.364 1.00 23.80 C ATOM 1462 CD1 LEU A 94 18.018 20.449 7.491 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.937 19.171 8.494 1.00 21.18 C ATOM 0 H LEU A 94 16.244 16.244 7.303 1.00 24.17 H new ATOM 0 HA LEU A 94 16.603 18.759 6.049 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.421 17.958 8.342 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.674 17.052 7.518 1.00 23.15 H new ATOM 0 HG LEU A 94 19.410 19.229 6.401 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.642 21.341 7.434 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.288 20.463 6.681 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.497 20.431 8.448 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.554 20.068 8.443 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.426 19.136 9.456 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.569 18.289 8.387 1.00 21.18 H new ATOM 1475 N LEU A 95 18.829 16.521 5.079 1.00 0.00 N ATOM 1476 CA LEU A 95 19.741 16.204 3.950 1.00 0.00 C ATOM 1477 C LEU A 95 18.922 16.105 2.674 1.00 0.00 C ATOM 1478 O LEU A 95 19.390 16.402 1.592 1.00 0.00 O ATOM 1479 CB LEU A 95 20.459 14.877 4.241 1.00 0.00 C ATOM 1480 CG LEU A 95 19.664 13.681 3.687 1.00 0.00 C ATOM 1481 CD1 LEU A 95 19.999 13.462 2.200 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.033 12.423 4.481 1.00 0.00 C ATOM 0 H LEU A 95 18.883 15.885 5.874 1.00 0.00 H new ATOM 0 HA LEU A 95 20.491 16.986 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.454 14.893 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.593 14.761 5.317 1.00 0.00 H new ATOM 0 HG LEU A 95 18.597 13.885 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.430 12.613 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.739 14.356 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.065 13.262 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.473 11.571 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.101 12.231 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.787 12.571 5.532 1.00 0.00 H new ATOM 1494 N THR A 96 17.697 15.707 2.798 1.00 15.75 N ATOM 1495 CA THR A 96 16.834 15.606 1.593 1.00 17.89 C ATOM 1496 C THR A 96 16.664 17.006 1.004 1.00 14.96 C ATOM 1497 O THR A 96 16.821 17.210 -0.181 1.00 17.84 O ATOM 1498 CB THR A 96 15.469 15.018 1.970 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.530 13.601 1.886 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.389 15.538 1.016 1.00 28.03 C ATOM 0 H THR A 96 17.252 15.447 3.678 1.00 15.75 H new ATOM 0 HA THR A 96 17.295 14.948 0.857 1.00 17.89 H new ATOM 0 HB THR A 96 15.219 15.319 2.987 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.660 13.221 2.128 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.424 15.114 1.293 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.340 16.625 1.080 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.634 15.246 -0.005 1.00 28.03 H new ATOM 1508 N ARG A 97 16.363 17.977 1.827 1.00 12.39 N ATOM 1509 CA ARG A 97 16.199 19.362 1.307 1.00 13.82 C ATOM 1510 C ARG A 97 17.515 19.778 0.650 1.00 14.98 C ATOM 1511 O ARG A 97 17.537 20.434 -0.369 1.00 16.48 O ATOM 1512 CB ARG A 97 15.869 20.307 2.473 1.00 18.70 C ATOM 1513 CG ARG A 97 14.361 20.591 2.507 1.00 27.27 C ATOM 1514 CD ARG A 97 13.984 21.584 1.396 1.00 36.05 C ATOM 1515 NE ARG A 97 13.141 22.683 1.963 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.139 22.419 2.760 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.808 21.182 3.014 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.451 23.395 3.286 1.00 40.96 N ATOM 0 H ARG A 97 16.225 17.869 2.832 1.00 12.39 H new ATOM 0 HA ARG A 97 15.388 19.409 0.580 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.185 19.859 3.415 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.421 21.240 2.363 1.00 18.70 H new ATOM 0 HG2 ARG A 97 13.805 19.662 2.379 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.082 20.998 3.479 1.00 27.27 H new ATOM 0 HD2 ARG A 97 14.885 22.000 0.946 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.441 21.069 0.604 1.00 36.05 H new ATOM 0 HE ARG A 97 13.351 23.652 1.724 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.332 20.416 2.590 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.025 20.981 3.637 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.695 24.363 3.075 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.669 23.190 3.908 1.00 40.96 H new ATOM 1532 N LEU A 98 18.613 19.377 1.223 1.00 12.44 N ATOM 1533 CA LEU A 98 19.932 19.711 0.634 1.00 12.45 C ATOM 1534 C LEU A 98 20.124 18.874 -0.637 1.00 14.25 C ATOM 1535 O LEU A 98 20.736 19.299 -1.596 1.00 12.19 O ATOM 1536 CB LEU A 98 21.024 19.357 1.648 1.00 13.23 C ATOM 1537 CG LEU A 98 21.134 20.449 2.719 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.018 20.279 3.753 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.485 20.330 3.424 1.00 15.05 C ATOM 0 H LEU A 98 18.651 18.828 2.082 1.00 12.44 H new ATOM 0 HA LEU A 98 19.987 20.772 0.390 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.797 18.400 2.118 1.00 13.23 H new ATOM 0 HB3 LEU A 98 21.980 19.242 1.137 1.00 13.23 H new ATOM 0 HG LEU A 98 21.044 21.426 2.244 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.102 21.058 4.511 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.049 20.356 3.259 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.107 19.301 4.227 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.567 21.105 4.186 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.565 19.349 3.893 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.287 20.451 2.696 1.00 15.05 H new ATOM 1551 N LYS A 99 19.614 17.671 -0.624 1.00 0.00 N ATOM 1552 CA LYS A 99 19.759 16.755 -1.793 1.00 0.00 C ATOM 1553 C LYS A 99 19.026 17.293 -3.032 1.00 0.00 C ATOM 1554 O LYS A 99 19.615 17.462 -4.081 1.00 0.00 O ATOM 1555 CB LYS A 99 19.179 15.390 -1.418 1.00 0.00 C ATOM 1556 CG LYS A 99 19.601 14.345 -2.451 1.00 0.00 C ATOM 1557 CD LYS A 99 18.702 13.115 -2.322 1.00 0.00 C ATOM 1558 CE LYS A 99 19.200 12.015 -3.259 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.285 10.842 -3.172 1.00 0.00 N ATOM 0 H LYS A 99 19.094 17.278 0.161 1.00 0.00 H new ATOM 0 HA LYS A 99 20.818 16.675 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.527 15.097 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.092 15.448 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.527 14.760 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.643 14.066 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.703 12.758 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.673 13.377 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.240 12.385 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.214 11.721 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.621 10.091 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.269 10.486 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.325 11.129 -3.452 1.00 0.00 H new ATOM 1573 N GLN A 100 17.743 17.530 -2.936 1.00 18.17 N ATOM 1574 CA GLN A 100 16.984 18.015 -4.128 1.00 18.02 C ATOM 1575 C GLN A 100 17.726 19.172 -4.808 1.00 18.05 C ATOM 1576 O GLN A 100 17.689 19.306 -6.015 1.00 19.19 O ATOM 1577 CB GLN A 100 15.576 18.467 -3.708 1.00 20.45 C ATOM 1578 CG GLN A 100 15.596 18.958 -2.259 1.00 29.25 C ATOM 1579 CD GLN A 100 14.461 19.960 -2.032 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.559 21.106 -2.423 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.381 19.573 -1.409 1.00 38.64 N ATOM 0 H GLN A 100 17.190 17.409 -2.088 1.00 18.17 H new ATOM 0 HA GLN A 100 16.898 17.194 -4.840 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.229 19.264 -4.366 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.873 17.640 -3.811 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.489 18.113 -1.578 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.555 19.426 -2.038 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.299 18.611 -1.081 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.619 20.233 -1.251 1.00 38.64 H new ATOM 1590 N ILE A 101 18.402 20.006 -4.062 1.00 0.00 N ATOM 1591 CA ILE A 101 19.138 21.137 -4.701 1.00 0.00 C ATOM 1592 C ILE A 101 20.620 20.778 -4.812 1.00 0.00 C ATOM 1593 O ILE A 101 21.380 21.436 -5.494 1.00 0.00 O ATOM 1594 CB ILE A 101 18.977 22.401 -3.858 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.464 22.135 -2.434 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.503 22.807 -3.824 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.239 23.384 -1.582 1.00 0.00 C ATOM 0 H ILE A 101 18.476 19.954 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 101 18.731 21.318 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 101 19.567 23.205 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.928 21.288 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.522 21.872 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.388 23.709 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.155 23.001 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.914 22.001 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.585 23.198 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.795 24.220 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.176 23.626 -1.565 1.00 0.00 H new ATOM 1609 N GLY A 102 21.030 19.728 -4.159 1.00 11.15 N ATOM 1610 CA GLY A 102 22.458 19.310 -4.236 1.00 12.21 C ATOM 1611 C GLY A 102 23.321 20.213 -3.356 1.00 14.73 C ATOM 1612 O GLY A 102 24.407 20.607 -3.733 1.00 18.54 O ATOM 0 H GLY A 102 20.437 19.139 -3.574 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.559 18.273 -3.915 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.803 19.359 -5.269 1.00 12.21 H new ATOM 1616 N ALA A 103 22.854 20.542 -2.187 1.00 10.84 N ATOM 1617 CA ALA A 103 23.661 21.416 -1.288 1.00 9.88 C ATOM 1618 C ALA A 103 24.662 20.557 -0.516 1.00 9.21 C ATOM 1619 O ALA A 103 25.589 21.055 0.090 1.00 7.47 O ATOM 1620 CB ALA A 103 22.740 22.136 -0.305 1.00 4.30 C ATOM 0 H ALA A 103 21.952 20.246 -1.814 1.00 10.84 H new ATOM 0 HA ALA A 103 24.196 22.155 -1.884 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.334 22.773 0.350 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.026 22.748 -0.857 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.202 21.401 0.294 1.00 4.30 H new ATOM 1626 N LEU A 104 24.485 19.265 -0.548 1.00 0.00 N ATOM 1627 CA LEU A 104 25.427 18.356 0.165 1.00 0.00 C ATOM 1628 C LEU A 104 26.453 17.821 -0.841 1.00 0.00 C ATOM 1629 O LEU A 104 26.477 18.228 -1.986 1.00 0.00 O ATOM 1630 CB LEU A 104 24.650 17.189 0.795 1.00 0.00 C ATOM 1631 CG LEU A 104 23.756 16.500 -0.254 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.434 15.225 -0.761 1.00 0.00 C ATOM 1633 CD2 LEU A 104 22.411 16.128 0.381 1.00 0.00 C ATOM 0 H LEU A 104 23.724 18.797 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 104 25.939 18.901 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.348 16.466 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.037 17.556 1.618 1.00 0.00 H new ATOM 0 HG LEU A 104 23.597 17.185 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.796 14.744 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 104 25.391 15.478 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 104 24.598 14.544 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 104 21.780 15.641 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.579 15.448 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 104 21.917 17.030 0.741 1.00 0.00 H new ATOM 1645 N GLN A 105 27.299 16.914 -0.432 1.00 0.00 N ATOM 1646 CA GLN A 105 28.314 16.364 -1.376 1.00 0.00 C ATOM 1647 C GLN A 105 27.652 15.339 -2.300 1.00 0.00 C ATOM 1648 O GLN A 105 27.226 15.727 -3.375 1.00 0.00 O ATOM 1649 CB GLN A 105 29.430 15.681 -0.581 1.00 0.00 C ATOM 1650 CG GLN A 105 30.358 16.738 0.024 1.00 0.00 C ATOM 1651 CD GLN A 105 31.689 16.089 0.410 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.646 16.772 0.716 1.00 0.00 O ATOM 1653 NE2 GLN A 105 31.790 14.788 0.411 1.00 0.00 N ATOM 1654 OXT GLN A 105 27.581 14.183 -1.915 1.00 0.00 O ATOM 0 H GLN A 105 27.331 16.531 0.513 1.00 0.00 H new ATOM 0 HA GLN A 105 28.731 17.176 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.001 15.065 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 105 29.997 15.015 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.528 17.541 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 105 29.892 17.187 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 105 30.987 14.214 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 105 32.672 14.345 0.669 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.878 27.447 19.563 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.685 28.616 18.661 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.298 28.125 17.266 1.00 0.00 C HETATM 1667 O11 GSH A 106 13.546 28.819 16.602 1.00 0.00 O HETATM 1668 O12 GSH A 106 14.758 27.061 16.886 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.988 29.419 18.585 1.00 0.00 C HETATM 1670 CG1 GSH A 106 16.363 29.923 19.985 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.363 31.454 20.019 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.798 32.107 19.092 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.939 32.029 21.110 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.071 33.505 21.272 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.329 34.226 20.142 1.00 0.00 C HETATM 1676 O2 GSH A 106 14.240 33.841 19.768 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.561 33.877 21.240 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.558 32.402 21.573 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.786 35.401 19.790 1.00 0.00 N HETATM 1680 CA3 GSH A 106 15.001 36.274 18.865 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.881 37.675 19.466 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.846 37.962 20.045 1.00 0.00 O HETATM 1683 O32 GSH A 106 15.795 38.459 19.275 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.141 27.593 20.538 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.747 26.500 19.206 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.656 29.537 20.719 1.00 0.00 H new HETATM 0 HG12 GSH A 106 17.348 29.547 20.262 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.822 34.294 20.267 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.771 34.646 21.983 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.788 28.796 18.185 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.869 30.261 17.904 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.490 36.325 17.892 1.00 0.00 H new HETATM 0 HA31 GSH A 106 14.010 35.851 18.701 1.00 0.00 H new HETATM 0 HN3 GSH A 106 16.684 35.723 20.150 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.518 31.470 21.852 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.635 33.809 22.224 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.891 29.252 19.051 1.00 0.00 H new