USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 90 GLN : amide:sc= -8.73! C(o=-6.7!,f=-9.4!) USER MOD Set 1.2: A 91 SER OG : rot 70:sc= 1.98 USER MOD Set 2.1: A 6 ASN : amide:sc= 0.142 K(o=1.1,f=-1.8!) USER MOD Set 2.2: A 59 TYR OH : rot 165:sc= 0.965 USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= 0.0297 USER MOD Set 3.2: A 54 ASN : amide:sc= -4.45! K(o=-4.4!,f=-0.81) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 7 SER OG : rot 115:sc= 1.1 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0671) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.478 (180deg=-1.03) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -35:sc= 0.692 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 84:sc= 1.35 USER MOD Single : A 29 GLN : amide:sc= 0.471 K(o=0.47,f=-0.56) USER MOD Single : A 33 SER OG : rot 81:sc= 0.733 USER MOD Single : A 34 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0.459 (180deg=0.432) USER MOD Single : A 39 GLN : amide:sc= -3.91! C(o=-3.9!,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00657 USER MOD Single : A 50 THR OG1 : rot -38:sc= 0.439 USER MOD Single : A 51 ASN : amide:sc= -4.02! K(o=-4!,f=-1.2) USER MOD Single : A 52 HIS : no HD1:sc= -2.55 X(o=-2.5,f=-2.7) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -4.3! C(o=-4.3!,f=-5!) USER MOD Single : A 62 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.4!) USER MOD Single : A 64 THR OG1 : rot 160:sc= -0.812! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -130:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 91:sc= 0.155 USER MOD Single : A 89 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= -0.226 (180deg=-1.2!) USER MOD Single : A 100 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.2) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.466 45.542 4.861 1.00 18.33 N ATOM 2 CA ALA A 1 16.533 44.510 4.730 1.00 16.52 C ATOM 3 C ALA A 1 16.114 43.472 3.687 1.00 15.03 C ATOM 4 O ALA A 1 16.165 42.282 3.926 1.00 16.00 O ATOM 5 CB ALA A 1 16.742 43.819 6.080 1.00 17.21 C ATOM 0 H1 ALA A 1 15.751 46.248 5.570 1.00 18.33 H new ATOM 0 H2 ALA A 1 15.322 46.011 3.944 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.579 45.089 5.161 1.00 18.33 H new ATOM 0 HA ALA A 1 17.462 44.986 4.416 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.522 43.064 5.985 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.040 44.557 6.824 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.813 43.343 6.393 1.00 17.21 H new ATOM 13 N GLN A 2 15.699 43.912 2.532 1.00 14.70 N ATOM 14 CA GLN A 2 15.277 42.949 1.476 1.00 14.58 C ATOM 15 C GLN A 2 16.518 42.375 0.787 1.00 12.38 C ATOM 16 O GLN A 2 16.810 41.201 0.891 1.00 12.11 O ATOM 17 CB GLN A 2 14.405 43.674 0.445 1.00 17.38 C ATOM 18 CG GLN A 2 13.549 44.728 1.150 1.00 22.60 C ATOM 19 CD GLN A 2 12.521 45.291 0.166 1.00 24.11 C ATOM 20 OE1 GLN A 2 12.790 45.401 -1.014 1.00 29.77 O ATOM 21 NE2 GLN A 2 11.346 45.655 0.603 1.00 23.75 N ATOM 0 H GLN A 2 15.634 44.896 2.273 1.00 14.70 H new ATOM 0 HA GLN A 2 14.705 42.138 1.927 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.033 44.146 -0.310 1.00 17.38 H new ATOM 0 HB3 GLN A 2 13.766 42.959 -0.074 1.00 17.38 H new ATOM 0 HG2 GLN A 2 13.043 44.286 2.008 1.00 22.60 H new ATOM 0 HG3 GLN A 2 14.181 45.530 1.531 1.00 22.60 H new ATOM 0 HE21 GLN A 2 11.119 45.563 1.593 1.00 23.75 H new ATOM 0 HE22 GLN A 2 10.655 46.031 -0.046 1.00 23.75 H new ATOM 30 N GLU A 3 17.246 43.197 0.083 1.00 0.00 N ATOM 31 CA GLU A 3 18.468 42.705 -0.616 1.00 0.00 C ATOM 32 C GLU A 3 19.454 42.130 0.404 1.00 0.00 C ATOM 33 O GLU A 3 20.404 41.460 0.052 1.00 0.00 O ATOM 34 CB GLU A 3 19.130 43.869 -1.360 1.00 0.00 C ATOM 35 CG GLU A 3 18.052 44.764 -1.972 1.00 0.00 C ATOM 36 CD GLU A 3 18.693 45.712 -2.987 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.296 46.685 -2.563 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.570 45.450 -4.173 1.00 0.00 O ATOM 0 H GLU A 3 17.048 44.190 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 3 18.188 41.926 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.751 44.446 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.788 43.488 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.291 44.154 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.551 45.335 -1.190 1.00 0.00 H new ATOM 45 N PHE A 4 19.249 42.401 1.661 1.00 11.75 N ATOM 46 CA PHE A 4 20.186 41.887 2.697 1.00 10.29 C ATOM 47 C PHE A 4 20.205 40.357 2.690 1.00 10.97 C ATOM 48 O PHE A 4 21.143 39.741 2.224 1.00 7.53 O ATOM 49 CB PHE A 4 19.734 42.390 4.075 1.00 11.72 C ATOM 50 CG PHE A 4 20.594 43.557 4.512 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.621 44.732 3.751 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.361 43.461 5.678 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.415 45.810 4.159 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.155 44.538 6.085 1.00 19.72 C ATOM 55 CZ PHE A 4 22.183 45.713 5.325 1.00 20.03 C ATOM 0 H PHE A 4 18.472 42.957 2.017 1.00 11.75 H new ATOM 0 HA PHE A 4 21.191 42.248 2.480 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.688 42.694 4.034 1.00 11.72 H new ATOM 0 HB3 PHE A 4 19.803 41.584 4.805 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.030 44.806 2.850 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.340 42.554 6.264 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.435 46.717 3.574 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.746 44.463 6.986 1.00 19.72 H new ATOM 0 HZ PHE A 4 22.797 46.544 5.638 1.00 20.03 H new ATOM 65 N VAL A 5 19.190 39.738 3.222 1.00 10.96 N ATOM 66 CA VAL A 5 19.172 38.250 3.262 1.00 12.03 C ATOM 67 C VAL A 5 18.883 37.697 1.865 1.00 12.91 C ATOM 68 O VAL A 5 19.413 36.677 1.471 1.00 10.57 O ATOM 69 CB VAL A 5 18.092 37.779 4.242 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.094 38.680 5.480 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.714 37.841 3.574 1.00 9.23 C ATOM 0 H VAL A 5 18.375 40.196 3.630 1.00 10.96 H new ATOM 0 HA VAL A 5 20.144 37.885 3.593 1.00 12.03 H new ATOM 0 HB VAL A 5 18.304 36.751 4.535 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.325 38.344 6.176 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.069 38.630 5.965 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.889 39.708 5.182 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.953 37.504 4.278 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.501 38.867 3.273 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.706 37.196 2.695 1.00 9.23 H new ATOM 81 N ASN A 6 18.046 38.356 1.117 1.00 13.95 N ATOM 82 CA ASN A 6 17.720 37.865 -0.246 1.00 13.93 C ATOM 83 C ASN A 6 19.003 37.712 -1.062 1.00 14.98 C ATOM 84 O ASN A 6 19.148 36.787 -1.837 1.00 13.88 O ATOM 85 CB ASN A 6 16.789 38.864 -0.932 1.00 19.23 C ATOM 86 CG ASN A 6 15.477 38.962 -0.151 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.280 38.255 0.818 1.00 28.33 O ATOM 88 ND2 ASN A 6 14.565 39.814 -0.533 1.00 26.59 N ATOM 0 H ASN A 6 17.573 39.216 1.393 1.00 13.95 H new ATOM 0 HA ASN A 6 17.227 36.896 -0.175 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.266 39.843 -0.986 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.592 38.548 -1.956 1.00 19.23 H new ATOM 0 HD21 ASN A 6 13.687 39.886 -0.018 1.00 26.59 H new ATOM 0 HD22 ASN A 6 14.730 40.407 -1.346 1.00 26.59 H new ATOM 95 N SER A 7 19.935 38.611 -0.904 1.00 0.00 N ATOM 96 CA SER A 7 21.201 38.506 -1.680 1.00 0.00 C ATOM 97 C SER A 7 22.069 37.383 -1.109 1.00 0.00 C ATOM 98 O SER A 7 23.048 36.984 -1.707 1.00 0.00 O ATOM 99 CB SER A 7 21.965 39.828 -1.594 1.00 0.00 C ATOM 100 OG SER A 7 21.169 40.869 -2.144 1.00 0.00 O ATOM 0 H SER A 7 19.875 39.411 -0.274 1.00 0.00 H new ATOM 0 HA SER A 7 20.964 38.286 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.210 40.052 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 7 22.908 39.752 -2.135 1.00 0.00 H new ATOM 0 HG SER A 7 20.939 41.511 -1.440 1.00 0.00 H new ATOM 106 N LYS A 8 21.736 36.882 0.051 1.00 13.50 N ATOM 107 CA LYS A 8 22.565 35.800 0.662 1.00 11.83 C ATOM 108 C LYS A 8 21.951 34.422 0.382 1.00 12.94 C ATOM 109 O LYS A 8 22.646 33.495 0.014 1.00 11.22 O ATOM 110 CB LYS A 8 22.661 36.038 2.170 1.00 13.35 C ATOM 111 CG LYS A 8 23.462 37.318 2.421 1.00 9.72 C ATOM 112 CD LYS A 8 23.712 37.489 3.920 1.00 17.72 C ATOM 113 CE LYS A 8 24.403 38.831 4.176 1.00 15.70 C ATOM 114 NZ LYS A 8 25.817 38.761 3.710 1.00 22.87 N ATOM 0 H LYS A 8 20.928 37.174 0.601 1.00 13.50 H new ATOM 0 HA LYS A 8 23.562 35.820 0.222 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.664 36.127 2.602 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.144 35.190 2.655 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.412 37.274 1.888 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.918 38.180 2.033 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.768 37.445 4.464 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.332 36.673 4.291 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.876 39.629 3.653 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.371 39.071 5.239 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 26.327 39.613 4.020 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 26.274 37.918 4.113 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 25.838 38.703 2.672 1.00 22.87 H new ATOM 128 N ILE A 9 20.664 34.269 0.549 1.00 11.05 N ATOM 129 CA ILE A 9 20.041 32.936 0.288 1.00 13.61 C ATOM 130 C ILE A 9 19.845 32.733 -1.211 1.00 12.23 C ATOM 131 O ILE A 9 19.297 33.569 -1.902 1.00 12.72 O ATOM 132 CB ILE A 9 18.680 32.827 0.979 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.813 34.024 0.581 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.880 32.784 2.496 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.817 34.350 1.701 1.00 25.19 C ATOM 0 H ILE A 9 20.021 35.001 0.852 1.00 11.05 H new ATOM 0 HA ILE A 9 20.709 32.171 0.684 1.00 13.61 H new ATOM 0 HB ILE A 9 18.177 31.911 0.669 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.444 34.890 0.382 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.275 33.803 -0.341 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.911 32.706 2.989 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.491 31.920 2.758 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.381 33.695 2.823 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.205 35.203 1.407 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.175 33.487 1.879 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.362 34.591 2.614 1.00 25.19 H new ATOM 147 N GLN A 10 20.271 31.609 -1.706 1.00 11.13 N ATOM 148 CA GLN A 10 20.101 31.302 -3.147 1.00 10.86 C ATOM 149 C GLN A 10 19.985 29.774 -3.298 1.00 10.00 C ATOM 150 O GLN A 10 20.421 29.046 -2.429 1.00 10.42 O ATOM 151 CB GLN A 10 21.297 31.868 -3.934 1.00 14.27 C ATOM 152 CG GLN A 10 22.262 30.757 -4.349 1.00 22.05 C ATOM 153 CD GLN A 10 23.529 31.387 -4.929 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.351 31.911 -4.202 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.720 31.363 -6.218 1.00 34.61 N ATOM 0 H GLN A 10 20.736 30.880 -1.165 1.00 11.13 H new ATOM 0 HA GLN A 10 19.199 31.764 -3.548 1.00 10.86 H new ATOM 0 HB2 GLN A 10 20.938 32.391 -4.820 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.824 32.601 -3.323 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.511 30.134 -3.490 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.793 30.108 -5.088 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.030 30.923 -6.828 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.559 31.784 -6.617 1.00 34.61 H new ATOM 164 N PRO A 11 19.387 29.332 -4.377 1.00 6.53 N ATOM 165 CA PRO A 11 19.190 27.892 -4.624 1.00 7.75 C ATOM 166 C PRO A 11 20.518 27.131 -4.608 1.00 6.33 C ATOM 167 O PRO A 11 21.476 27.503 -5.256 1.00 9.49 O ATOM 168 CB PRO A 11 18.536 27.814 -6.013 1.00 8.32 C ATOM 169 CG PRO A 11 18.356 29.264 -6.527 1.00 7.94 C ATOM 170 CD PRO A 11 18.866 30.215 -5.435 1.00 11.72 C ATOM 0 HA PRO A 11 18.575 27.434 -3.849 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.159 27.239 -6.698 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.573 27.306 -5.955 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.911 29.413 -7.453 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.308 29.464 -6.748 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.644 30.875 -5.818 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.065 30.851 -5.060 1.00 11.72 H new ATOM 178 N GLY A 12 20.563 26.046 -3.888 1.00 5.64 N ATOM 179 CA GLY A 12 21.801 25.223 -3.840 1.00 8.39 C ATOM 180 C GLY A 12 22.838 25.843 -2.900 1.00 7.67 C ATOM 181 O GLY A 12 24.016 25.562 -3.003 1.00 10.24 O ATOM 0 H GLY A 12 19.789 25.692 -3.326 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.558 24.215 -3.505 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.221 25.133 -4.842 1.00 8.39 H new ATOM 185 N LYS A 13 22.423 26.669 -1.980 1.00 9.66 N ATOM 186 CA LYS A 13 23.405 27.281 -1.039 1.00 10.29 C ATOM 187 C LYS A 13 22.802 27.329 0.364 1.00 10.20 C ATOM 188 O LYS A 13 21.672 27.738 0.552 1.00 6.89 O ATOM 189 CB LYS A 13 23.752 28.699 -1.496 1.00 9.77 C ATOM 190 CG LYS A 13 24.924 29.222 -0.664 1.00 10.63 C ATOM 191 CD LYS A 13 25.304 30.626 -1.134 1.00 12.04 C ATOM 192 CE LYS A 13 26.250 31.265 -0.116 1.00 19.12 C ATOM 193 NZ LYS A 13 25.514 31.527 1.153 1.00 25.36 N ATOM 0 H LYS A 13 21.452 26.946 -1.839 1.00 9.66 H new ATOM 0 HA LYS A 13 24.313 26.679 -1.026 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.013 28.699 -2.554 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.888 29.353 -1.380 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.653 29.242 0.391 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.778 28.552 -0.760 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.784 30.577 -2.111 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.409 31.237 -1.249 1.00 12.04 H new ATOM 0 HE2 LYS A 13 27.097 30.606 0.072 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.653 32.196 -0.514 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 25.769 32.468 1.515 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 24.490 31.491 0.974 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.768 30.805 1.857 1.00 25.36 H new ATOM 207 N VAL A 14 23.547 26.911 1.351 1.00 10.89 N ATOM 208 CA VAL A 14 23.026 26.929 2.741 1.00 9.99 C ATOM 209 C VAL A 14 23.567 28.158 3.470 1.00 5.01 C ATOM 210 O VAL A 14 24.742 28.466 3.406 1.00 6.68 O ATOM 211 CB VAL A 14 23.471 25.659 3.470 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.910 25.662 4.894 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.946 24.433 2.719 1.00 5.86 C ATOM 0 H VAL A 14 24.498 26.557 1.250 1.00 10.89 H new ATOM 0 HA VAL A 14 21.937 26.970 2.722 1.00 9.99 H new ATOM 0 HB VAL A 14 24.560 25.626 3.510 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.228 24.757 5.412 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.281 26.536 5.429 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.821 25.695 4.856 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.262 23.527 3.236 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.857 24.468 2.681 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.345 24.429 1.705 1.00 5.86 H new ATOM 223 N VAL A 15 22.714 28.863 4.161 1.00 3.11 N ATOM 224 CA VAL A 15 23.161 30.077 4.902 1.00 10.10 C ATOM 225 C VAL A 15 22.448 30.116 6.252 1.00 9.35 C ATOM 226 O VAL A 15 21.301 29.732 6.368 1.00 11.00 O ATOM 227 CB VAL A 15 22.836 31.332 4.072 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.654 32.098 4.681 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.063 32.248 4.040 1.00 10.96 C ATOM 0 H VAL A 15 21.720 28.649 4.245 1.00 3.11 H new ATOM 0 HA VAL A 15 24.238 30.048 5.070 1.00 10.10 H new ATOM 0 HB VAL A 15 22.569 31.021 3.062 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.443 32.981 4.078 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.775 31.454 4.702 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.904 32.404 5.697 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.837 33.138 3.453 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.325 32.541 5.057 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.901 31.718 3.587 1.00 10.96 H new ATOM 239 N VAL A 16 23.127 30.551 7.279 1.00 8.87 N ATOM 240 CA VAL A 16 22.503 30.583 8.630 1.00 5.41 C ATOM 241 C VAL A 16 22.597 31.981 9.251 1.00 6.62 C ATOM 242 O VAL A 16 23.664 32.549 9.372 1.00 8.94 O ATOM 243 CB VAL A 16 23.242 29.592 9.532 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.531 29.479 10.890 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.280 28.220 8.852 1.00 5.31 C ATOM 0 H VAL A 16 24.090 30.886 7.239 1.00 8.87 H new ATOM 0 HA VAL A 16 21.450 30.317 8.535 1.00 5.41 H new ATOM 0 HB VAL A 16 24.259 29.947 9.698 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.066 28.771 11.523 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.512 30.456 11.373 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.510 29.130 10.738 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.806 27.511 9.492 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.262 27.870 8.682 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.799 28.301 7.897 1.00 5.31 H new ATOM 255 N PHE A 17 21.483 32.521 9.679 1.00 5.51 N ATOM 256 CA PHE A 17 21.494 33.858 10.336 1.00 5.80 C ATOM 257 C PHE A 17 21.580 33.638 11.847 1.00 7.23 C ATOM 258 O PHE A 17 20.714 33.026 12.441 1.00 5.39 O ATOM 259 CB PHE A 17 20.212 34.606 9.976 1.00 5.73 C ATOM 260 CG PHE A 17 20.260 34.966 8.513 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.895 34.020 7.548 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.687 36.239 8.120 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.956 34.349 6.189 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.751 36.568 6.762 1.00 5.88 C ATOM 265 CZ PHE A 17 20.385 35.623 5.796 1.00 5.73 C ATOM 0 H PHE A 17 20.563 32.088 9.600 1.00 5.51 H new ATOM 0 HA PHE A 17 22.345 34.452 10.001 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.341 33.985 10.184 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.115 35.506 10.584 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.567 33.037 7.852 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.967 36.968 8.866 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.672 33.621 5.444 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.082 37.550 6.459 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.433 35.877 4.747 1.00 5.73 H new ATOM 275 N ILE A 18 22.640 34.088 12.469 1.00 8.64 N ATOM 276 CA ILE A 18 22.806 33.855 13.938 1.00 6.83 C ATOM 277 C ILE A 18 23.094 35.157 14.683 1.00 10.62 C ATOM 278 O ILE A 18 23.047 36.246 14.143 1.00 6.74 O ATOM 279 CB ILE A 18 23.997 32.913 14.149 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.216 33.460 13.393 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.659 31.509 13.631 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.479 32.750 13.884 1.00 8.36 C ATOM 0 H ILE A 18 23.398 34.606 12.025 1.00 8.64 H new ATOM 0 HA ILE A 18 21.880 33.428 14.324 1.00 6.83 H new ATOM 0 HB ILE A 18 24.221 32.852 15.214 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.092 33.306 12.321 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.304 34.535 13.552 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.512 30.849 13.786 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.796 31.120 14.171 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.428 31.560 12.567 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.346 33.137 13.348 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.604 32.927 14.952 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.389 31.679 13.702 1.00 8.36 H new ATOM 294 N LYS A 19 23.412 35.012 15.935 1.00 12.12 N ATOM 295 CA LYS A 19 23.745 36.163 16.807 1.00 15.62 C ATOM 296 C LYS A 19 24.748 35.633 17.832 1.00 16.36 C ATOM 297 O LYS A 19 24.347 35.166 18.876 1.00 13.35 O ATOM 298 CB LYS A 19 22.483 36.640 17.542 1.00 18.25 C ATOM 299 CG LYS A 19 21.626 37.518 16.613 1.00 25.24 C ATOM 300 CD LYS A 19 21.068 38.716 17.389 1.00 30.64 C ATOM 301 CE LYS A 19 20.034 38.235 18.404 1.00 31.75 C ATOM 302 NZ LYS A 19 19.483 39.408 19.137 1.00 38.73 N ATOM 0 H LYS A 19 23.456 34.108 16.405 1.00 12.12 H new ATOM 0 HA LYS A 19 24.146 36.998 16.232 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.903 35.781 17.879 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.763 37.204 18.431 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.227 37.867 15.773 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.807 36.930 16.197 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.876 39.240 17.899 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.612 39.427 16.700 1.00 30.64 H new ATOM 0 HE2 LYS A 19 19.232 37.699 17.897 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.492 37.536 19.104 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.778 39.085 19.830 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.253 39.901 19.632 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 19.032 40.059 18.462 1.00 38.73 H new ATOM 316 N PRO A 20 26.015 35.667 17.493 1.00 17.46 N ATOM 317 CA PRO A 20 27.066 35.131 18.373 1.00 20.12 C ATOM 318 C PRO A 20 26.878 35.624 19.809 1.00 24.12 C ATOM 319 O PRO A 20 27.613 36.453 20.305 1.00 24.58 O ATOM 320 CB PRO A 20 28.378 35.612 17.746 1.00 20.63 C ATOM 321 CG PRO A 20 28.039 36.120 16.320 1.00 18.08 C ATOM 322 CD PRO A 20 26.509 36.254 16.230 1.00 17.14 C ATOM 0 HA PRO A 20 27.045 34.044 18.448 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.822 36.408 18.344 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.105 34.801 17.704 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.520 37.080 16.130 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.408 35.424 15.567 1.00 18.08 H new ATOM 0 HD2 PRO A 20 26.206 37.296 16.131 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.114 35.724 15.364 1.00 17.14 H new ATOM 330 N THR A 21 25.890 35.093 20.472 1.00 24.78 N ATOM 331 CA THR A 21 25.607 35.480 21.878 1.00 27.36 C ATOM 332 C THR A 21 24.726 34.398 22.498 1.00 24.99 C ATOM 333 O THR A 21 24.856 34.053 23.657 1.00 26.49 O ATOM 334 CB THR A 21 24.858 36.818 21.904 1.00 28.64 C ATOM 335 OG1 THR A 21 23.764 36.761 20.999 1.00 30.99 O ATOM 336 CG2 THR A 21 25.799 37.954 21.495 1.00 34.82 C ATOM 0 H THR A 21 25.255 34.393 20.089 1.00 24.78 H new ATOM 0 HA THR A 21 26.538 35.583 22.435 1.00 27.36 H new ATOM 0 HB THR A 21 24.493 37.005 22.914 1.00 28.64 H new ATOM 0 HG1 THR A 21 24.012 36.222 20.219 1.00 30.99 H new ATOM 0 HG21 THR A 21 25.258 38.900 21.516 1.00 34.82 H new ATOM 0 HG22 THR A 21 26.638 38.000 22.190 1.00 34.82 H new ATOM 0 HG23 THR A 21 26.172 37.772 20.487 1.00 34.82 H new ATOM 344 N CYS A 22 23.825 33.861 21.719 1.00 21.46 N ATOM 345 CA CYS A 22 22.917 32.797 22.231 1.00 17.23 C ATOM 346 C CYS A 22 23.448 31.409 21.789 1.00 14.71 C ATOM 347 O CYS A 22 23.735 31.215 20.623 1.00 13.71 O ATOM 348 CB CYS A 22 21.522 33.046 21.652 1.00 15.71 C ATOM 349 SG CYS A 22 20.260 32.643 22.883 1.00 9.78 S ATOM 0 H CYS A 22 23.679 34.117 20.742 1.00 21.46 H new ATOM 0 HA CYS A 22 22.873 32.817 23.320 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.426 34.089 21.349 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.377 32.439 20.758 1.00 15.71 H new ATOM 354 N PRO A 23 23.566 30.487 22.727 1.00 13.86 N ATOM 355 CA PRO A 23 24.066 29.121 22.440 1.00 13.47 C ATOM 356 C PRO A 23 23.234 28.401 21.362 1.00 8.59 C ATOM 357 O PRO A 23 23.725 27.506 20.702 1.00 10.79 O ATOM 358 CB PRO A 23 23.967 28.378 23.777 1.00 11.94 C ATOM 359 CG PRO A 23 23.547 29.401 24.852 1.00 7.24 C ATOM 360 CD PRO A 23 23.225 30.726 24.143 1.00 12.58 C ATOM 0 HA PRO A 23 25.082 29.154 22.045 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.238 27.570 23.712 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.924 27.924 24.034 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.677 29.041 25.402 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.347 29.542 25.578 1.00 7.24 H new ATOM 0 HD2 PRO A 23 22.174 30.991 24.258 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.808 31.548 24.557 1.00 12.58 H new ATOM 368 N TYR A 24 21.991 28.762 21.167 1.00 0.00 N ATOM 369 CA TYR A 24 21.183 28.057 20.122 1.00 0.00 C ATOM 370 C TYR A 24 21.765 28.378 18.755 1.00 0.00 C ATOM 371 O TYR A 24 21.894 27.523 17.899 1.00 0.00 O ATOM 372 CB TYR A 24 19.732 28.535 20.157 1.00 0.00 C ATOM 373 CG TYR A 24 18.963 27.782 21.212 1.00 0.00 C ATOM 374 CD1 TYR A 24 19.061 28.161 22.553 1.00 0.00 C ATOM 375 CD2 TYR A 24 18.139 26.714 20.839 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.331 27.472 23.527 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.411 26.022 21.812 1.00 0.00 C ATOM 378 CZ TYR A 24 17.506 26.402 23.157 1.00 0.00 C ATOM 379 OH TYR A 24 16.783 25.726 24.118 1.00 0.00 O ATOM 0 H TYR A 24 21.506 29.501 21.676 1.00 0.00 H new ATOM 0 HA TYR A 24 21.212 26.985 20.314 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.698 29.604 20.365 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.268 28.386 19.182 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.699 28.985 22.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 18.065 26.425 19.801 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.403 27.765 24.564 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.776 25.196 21.527 1.00 0.00 H new ATOM 0 HH TYR A 24 16.262 25.013 23.694 1.00 0.00 H new ATOM 389 N SER A 25 22.130 29.606 18.551 1.00 0.00 N ATOM 390 CA SER A 25 22.724 29.992 17.251 1.00 0.00 C ATOM 391 C SER A 25 24.023 29.217 17.099 1.00 0.00 C ATOM 392 O SER A 25 24.327 28.685 16.051 1.00 0.00 O ATOM 393 CB SER A 25 23.005 31.498 17.245 1.00 0.00 C ATOM 394 OG SER A 25 22.455 32.082 18.420 1.00 0.00 O ATOM 0 H SER A 25 22.042 30.361 19.231 1.00 0.00 H new ATOM 0 HA SER A 25 22.047 29.766 16.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.079 31.679 17.203 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.569 31.958 16.358 1.00 0.00 H new ATOM 0 HG SER A 25 23.084 31.975 19.164 1.00 0.00 H new ATOM 400 N ARG A 26 24.777 29.118 18.157 1.00 16.21 N ATOM 401 CA ARG A 26 26.038 28.341 18.090 1.00 15.67 C ATOM 402 C ARG A 26 25.677 26.898 17.744 1.00 13.70 C ATOM 403 O ARG A 26 26.386 26.216 17.032 1.00 12.41 O ATOM 404 CB ARG A 26 26.736 28.385 19.451 1.00 22.04 C ATOM 405 CG ARG A 26 27.358 29.770 19.668 1.00 31.64 C ATOM 406 CD ARG A 26 28.518 29.986 18.686 1.00 43.08 C ATOM 407 NE ARG A 26 29.711 30.518 19.414 1.00 52.93 N ATOM 408 CZ ARG A 26 29.595 31.489 20.280 1.00 57.80 C ATOM 409 NH1 ARG A 26 28.441 32.064 20.478 1.00 58.61 N ATOM 410 NH2 ARG A 26 30.646 31.899 20.934 1.00 59.59 N ATOM 0 H ARG A 26 24.573 29.542 19.062 1.00 16.21 H new ATOM 0 HA ARG A 26 26.708 28.757 17.338 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.021 28.168 20.245 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.508 27.617 19.500 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.603 30.543 19.526 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.717 29.859 20.693 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.770 29.046 18.196 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.218 30.683 17.904 1.00 43.08 H new ATOM 0 HE ARG A 26 30.630 30.116 19.231 1.00 52.93 H new ATOM 0 HH11 ARG A 26 27.621 31.756 19.955 1.00 58.61 H new ATOM 0 HH12 ARG A 26 28.358 32.822 21.156 1.00 58.61 H new ATOM 0 HH21 ARG A 26 31.553 31.462 20.768 1.00 59.59 H new ATOM 0 HH22 ARG A 26 30.562 32.657 21.611 1.00 59.59 H new ATOM 424 N ARG A 27 24.561 26.437 18.239 1.00 0.00 N ATOM 425 CA ARG A 27 24.121 25.048 17.944 1.00 0.00 C ATOM 426 C ARG A 27 24.077 24.849 16.428 1.00 0.00 C ATOM 427 O ARG A 27 24.586 23.880 15.901 1.00 0.00 O ATOM 428 CB ARG A 27 22.723 24.841 18.536 1.00 0.00 C ATOM 429 CG ARG A 27 22.517 23.373 18.930 1.00 0.00 C ATOM 430 CD ARG A 27 21.194 23.234 19.693 1.00 0.00 C ATOM 431 NE ARG A 27 21.400 22.407 20.922 1.00 0.00 N ATOM 432 CZ ARG A 27 22.068 21.285 20.873 1.00 0.00 C ATOM 433 NH1 ARG A 27 22.496 20.823 19.731 1.00 0.00 N ATOM 434 NH2 ARG A 27 22.286 20.614 21.969 1.00 0.00 N ATOM 0 H ARG A 27 23.932 26.969 18.840 1.00 0.00 H new ATOM 0 HA ARG A 27 24.814 24.329 18.381 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.594 25.480 19.410 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.967 25.138 17.810 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.505 22.744 18.040 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.346 23.031 19.550 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.816 24.219 19.966 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.442 22.771 19.054 1.00 0.00 H new ATOM 0 HE ARG A 27 21.013 22.723 21.811 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.310 21.338 18.870 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.017 19.947 19.698 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.936 20.965 22.860 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.807 19.738 21.935 1.00 0.00 H new ATOM 448 N ALA A 28 23.474 25.767 15.722 1.00 0.00 N ATOM 449 CA ALA A 28 23.401 25.633 14.242 1.00 0.00 C ATOM 450 C ALA A 28 24.820 25.603 13.679 1.00 0.00 C ATOM 451 O ALA A 28 25.110 24.916 12.721 1.00 0.00 O ATOM 452 CB ALA A 28 22.640 26.825 13.656 1.00 0.00 C ATOM 0 H ALA A 28 23.030 26.601 16.106 1.00 0.00 H new ATOM 0 HA ALA A 28 22.879 24.713 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.587 26.726 12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.631 26.850 14.068 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.159 27.749 13.911 1.00 0.00 H new ATOM 458 N GLN A 29 25.707 26.348 14.275 1.00 19.83 N ATOM 459 CA GLN A 29 27.110 26.372 13.789 1.00 20.83 C ATOM 460 C GLN A 29 27.793 25.042 14.115 1.00 20.95 C ATOM 461 O GLN A 29 28.543 24.503 13.327 1.00 22.85 O ATOM 462 CB GLN A 29 27.865 27.509 14.488 1.00 21.33 C ATOM 463 CG GLN A 29 27.334 28.867 14.013 1.00 34.02 C ATOM 464 CD GLN A 29 28.444 29.918 14.117 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.820 30.319 15.201 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.986 30.381 13.025 1.00 45.49 N ATOM 0 H GLN A 29 25.518 26.943 15.081 1.00 19.83 H new ATOM 0 HA GLN A 29 27.117 26.528 12.710 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.749 27.422 15.568 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.931 27.432 14.275 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.985 28.792 12.983 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.478 29.166 14.618 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.670 30.044 12.116 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.726 31.080 13.080 1.00 45.49 H new ATOM 475 N GLU A 30 27.555 24.530 15.286 1.00 22.87 N ATOM 476 CA GLU A 30 28.200 23.252 15.703 1.00 23.32 C ATOM 477 C GLU A 30 27.614 22.058 14.940 1.00 22.32 C ATOM 478 O GLU A 30 28.315 21.122 14.611 1.00 25.42 O ATOM 479 CB GLU A 30 27.975 23.052 17.202 1.00 24.18 C ATOM 480 CG GLU A 30 28.759 24.111 17.981 1.00 32.27 C ATOM 481 CD GLU A 30 28.382 24.038 19.461 1.00 34.97 C ATOM 482 OE1 GLU A 30 27.203 23.910 19.746 1.00 32.92 O ATOM 483 OE2 GLU A 30 29.279 24.111 20.285 1.00 34.69 O ATOM 0 H GLU A 30 26.935 24.945 15.982 1.00 22.87 H new ATOM 0 HA GLU A 30 29.265 23.310 15.478 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.913 23.126 17.434 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.297 22.054 17.499 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.830 23.949 17.859 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.540 25.104 17.587 1.00 32.27 H new ATOM 490 N ILE A 31 26.336 22.061 14.679 1.00 0.00 N ATOM 491 CA ILE A 31 25.726 20.899 13.967 1.00 0.00 C ATOM 492 C ILE A 31 26.059 20.950 12.471 1.00 0.00 C ATOM 493 O ILE A 31 26.645 20.032 11.933 1.00 0.00 O ATOM 494 CB ILE A 31 24.204 20.911 14.191 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.572 19.609 13.662 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.571 22.123 13.504 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.691 19.514 12.134 1.00 0.00 C ATOM 0 H ILE A 31 25.690 22.811 14.925 1.00 0.00 H new ATOM 0 HA ILE A 31 26.137 19.972 14.366 1.00 0.00 H new ATOM 0 HB ILE A 31 24.015 20.980 15.262 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.063 18.751 14.121 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.522 19.568 13.951 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.494 22.116 13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.997 23.038 13.916 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.771 22.080 12.433 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.236 18.585 11.791 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.178 20.360 11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.743 19.530 11.849 1.00 0.00 H new ATOM 509 N LEU A 32 25.691 21.996 11.785 1.00 16.72 N ATOM 510 CA LEU A 32 25.991 22.063 10.330 1.00 15.05 C ATOM 511 C LEU A 32 27.497 21.952 10.103 1.00 15.55 C ATOM 512 O LEU A 32 27.946 21.569 9.042 1.00 17.28 O ATOM 513 CB LEU A 32 25.467 23.389 9.766 1.00 12.57 C ATOM 514 CG LEU A 32 24.043 23.198 9.213 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.207 24.451 9.492 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.109 22.951 7.698 1.00 12.45 C ATOM 0 H LEU A 32 25.198 22.803 12.168 1.00 16.72 H new ATOM 0 HA LEU A 32 25.500 21.235 9.818 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.464 24.150 10.546 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.128 23.745 8.976 1.00 12.57 H new ATOM 0 HG LEU A 32 23.580 22.341 9.701 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.200 24.311 9.099 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.156 24.623 10.567 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.669 25.312 9.009 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.101 22.816 7.307 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.576 23.807 7.210 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.698 22.055 7.501 1.00 12.45 H new ATOM 528 N SER A 33 28.282 22.271 11.086 1.00 16.31 N ATOM 529 CA SER A 33 29.751 22.165 10.908 1.00 18.98 C ATOM 530 C SER A 33 30.119 20.693 10.705 1.00 18.49 C ATOM 531 O SER A 33 31.126 20.371 10.106 1.00 21.34 O ATOM 532 CB SER A 33 30.456 22.702 12.153 1.00 19.20 C ATOM 533 OG SER A 33 30.489 24.123 12.100 1.00 24.11 O ATOM 0 H SER A 33 27.973 22.599 12.001 1.00 16.31 H new ATOM 0 HA SER A 33 30.063 22.747 10.041 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.934 22.372 13.051 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.470 22.305 12.210 1.00 19.20 H new ATOM 0 HG SER A 33 29.625 24.481 12.392 1.00 24.11 H new ATOM 539 N GLN A 34 29.309 19.797 11.208 1.00 20.00 N ATOM 540 CA GLN A 34 29.605 18.345 11.054 1.00 24.71 C ATOM 541 C GLN A 34 28.905 17.795 9.806 1.00 23.33 C ATOM 542 O GLN A 34 29.035 16.631 9.476 1.00 26.27 O ATOM 543 CB GLN A 34 29.111 17.602 12.296 1.00 28.15 C ATOM 544 CG GLN A 34 29.928 18.044 13.514 1.00 37.01 C ATOM 545 CD GLN A 34 31.380 17.585 13.357 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.693 16.433 13.582 1.00 44.07 O ATOM 547 NE2 GLN A 34 32.286 18.445 12.978 1.00 41.20 N ATOM 0 H GLN A 34 28.453 20.011 11.720 1.00 20.00 H new ATOM 0 HA GLN A 34 30.680 18.202 10.943 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.053 17.809 12.460 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.207 16.526 12.151 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.889 19.128 13.616 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.500 17.622 14.423 1.00 37.01 H new ATOM 0 HE21 GLN A 34 32.024 19.412 12.789 1.00 41.20 H new ATOM 0 HE22 GLN A 34 33.256 18.150 12.871 1.00 41.20 H new ATOM 556 N LEU A 35 28.175 18.616 9.099 1.00 19.63 N ATOM 557 CA LEU A 35 27.486 18.124 7.874 1.00 15.93 C ATOM 558 C LEU A 35 28.450 18.266 6.682 1.00 13.36 C ATOM 559 O LEU A 35 29.039 19.314 6.502 1.00 16.12 O ATOM 560 CB LEU A 35 26.233 18.972 7.620 1.00 13.69 C ATOM 561 CG LEU A 35 25.071 18.488 8.501 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.843 19.367 8.250 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.720 17.027 8.172 1.00 16.28 C ATOM 0 H LEU A 35 28.027 19.602 9.317 1.00 19.63 H new ATOM 0 HA LEU A 35 27.195 17.081 7.999 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.446 20.020 7.832 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.951 18.910 6.569 1.00 13.69 H new ATOM 0 HG LEU A 35 25.372 18.555 9.546 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.017 19.025 8.874 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.080 20.402 8.496 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.556 19.300 7.201 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.895 16.700 8.805 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.427 16.950 7.125 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.589 16.394 8.353 1.00 16.28 H new ATOM 575 N PRO A 36 28.599 17.211 5.904 1.00 16.38 N ATOM 576 CA PRO A 36 29.508 17.225 4.742 1.00 17.59 C ATOM 577 C PRO A 36 28.977 18.163 3.654 1.00 19.11 C ATOM 578 O PRO A 36 28.621 17.745 2.571 1.00 21.54 O ATOM 579 CB PRO A 36 29.523 15.773 4.246 1.00 16.71 C ATOM 580 CG PRO A 36 28.358 15.041 4.950 1.00 16.59 C ATOM 581 CD PRO A 36 27.891 15.930 6.110 1.00 15.74 C ATOM 0 HA PRO A 36 30.505 17.584 4.999 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.404 15.734 3.163 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.475 15.296 4.479 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.541 14.860 4.252 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.683 14.068 5.319 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.810 16.067 6.094 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.142 15.488 7.074 1.00 15.74 H new ATOM 589 N ILE A 37 28.936 19.428 3.932 1.00 0.00 N ATOM 590 CA ILE A 37 28.447 20.396 2.915 1.00 0.00 C ATOM 591 C ILE A 37 29.588 20.686 1.938 1.00 0.00 C ATOM 592 O ILE A 37 30.748 20.650 2.299 1.00 0.00 O ATOM 593 CB ILE A 37 28.008 21.689 3.607 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.742 21.405 4.443 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.734 22.768 2.544 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.484 21.674 3.612 1.00 0.00 C ATOM 0 H ILE A 37 29.220 19.838 4.821 1.00 0.00 H new ATOM 0 HA ILE A 37 27.595 19.982 2.377 1.00 0.00 H new ATOM 0 HB ILE A 37 28.793 22.051 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.747 20.369 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.738 22.033 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.421 23.690 3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.642 22.952 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.944 22.427 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.599 21.469 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.474 22.717 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.483 21.028 2.734 1.00 0.00 H new ATOM 608 N LYS A 38 29.275 20.944 0.701 1.00 12.68 N ATOM 609 CA LYS A 38 30.346 21.205 -0.298 1.00 12.78 C ATOM 610 C LYS A 38 31.266 22.337 0.168 1.00 14.66 C ATOM 611 O LYS A 38 31.267 22.726 1.318 1.00 13.94 O ATOM 612 CB LYS A 38 29.713 21.576 -1.634 1.00 11.68 C ATOM 613 CG LYS A 38 28.721 20.482 -2.041 1.00 12.28 C ATOM 614 CD LYS A 38 28.463 20.535 -3.555 1.00 13.74 C ATOM 615 CE LYS A 38 26.970 20.737 -3.815 1.00 20.88 C ATOM 616 NZ LYS A 38 26.692 20.544 -5.265 1.00 29.41 N ATOM 0 H LYS A 38 28.323 20.986 0.338 1.00 12.68 H new ATOM 0 HA LYS A 38 30.945 20.301 -0.409 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.202 22.536 -1.554 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.484 21.687 -2.397 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.115 19.504 -1.766 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.783 20.612 -1.500 1.00 12.28 H new ATOM 0 HD2 LYS A 38 29.034 21.349 -4.003 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.802 19.612 -4.024 1.00 13.74 H new ATOM 0 HE2 LYS A 38 26.387 20.030 -3.224 1.00 20.88 H new ATOM 0 HE3 LYS A 38 26.667 21.737 -3.505 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 25.664 20.529 -5.422 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.114 21.325 -5.806 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 27.104 19.642 -5.580 1.00 29.41 H new ATOM 630 N GLN A 39 32.067 22.841 -0.732 1.00 0.00 N ATOM 631 CA GLN A 39 33.030 23.933 -0.392 1.00 0.00 C ATOM 632 C GLN A 39 32.337 25.117 0.290 1.00 0.00 C ATOM 633 O GLN A 39 31.597 24.965 1.242 1.00 0.00 O ATOM 634 CB GLN A 39 33.715 24.416 -1.674 1.00 0.00 C ATOM 635 CG GLN A 39 34.312 23.219 -2.420 1.00 0.00 C ATOM 636 CD GLN A 39 33.235 22.566 -3.287 1.00 0.00 C ATOM 637 OE1 GLN A 39 33.030 21.370 -3.225 1.00 0.00 O ATOM 638 NE2 GLN A 39 32.531 23.308 -4.096 1.00 0.00 N ATOM 0 H GLN A 39 32.096 22.538 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 39 33.763 23.529 0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.996 24.932 -2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.499 25.134 -1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.146 23.544 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.709 22.495 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 39 32.704 24.312 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 39 31.808 22.884 -4.677 1.00 0.00 H new ATOM 647 N GLY A 40 32.607 26.306 -0.182 1.00 11.96 N ATOM 648 CA GLY A 40 32.010 27.524 0.434 1.00 8.67 C ATOM 649 C GLY A 40 30.497 27.539 0.233 1.00 10.51 C ATOM 650 O GLY A 40 29.927 28.528 -0.184 1.00 15.27 O ATOM 0 H GLY A 40 33.222 26.485 -0.976 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.241 27.551 1.499 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.451 28.416 -0.010 1.00 8.67 H new ATOM 654 N LEU A 41 29.840 26.457 0.536 1.00 8.78 N ATOM 655 CA LEU A 41 28.355 26.413 0.375 1.00 6.78 C ATOM 656 C LEU A 41 27.708 26.693 1.726 1.00 7.45 C ATOM 657 O LEU A 41 26.624 27.234 1.815 1.00 2.18 O ATOM 658 CB LEU A 41 27.932 25.013 -0.089 1.00 6.98 C ATOM 659 CG LEU A 41 27.075 25.101 -1.355 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.980 25.299 -2.574 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.279 23.800 -1.509 1.00 6.68 C ATOM 0 H LEU A 41 30.264 25.599 0.889 1.00 8.78 H new ATOM 0 HA LEU A 41 28.043 27.155 -0.360 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.816 24.406 -0.283 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.371 24.516 0.702 1.00 6.98 H new ATOM 0 HG LEU A 41 26.389 25.945 -1.279 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.369 25.361 -3.474 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.550 26.221 -2.458 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.666 24.456 -2.659 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.665 23.853 -2.408 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.968 22.959 -1.589 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.637 23.661 -0.639 1.00 6.68 H new ATOM 673 N LEU A 42 28.375 26.316 2.774 1.00 7.13 N ATOM 674 CA LEU A 42 27.827 26.533 4.136 1.00 6.20 C ATOM 675 C LEU A 42 28.404 27.825 4.706 1.00 5.03 C ATOM 676 O LEU A 42 29.589 28.078 4.618 1.00 5.38 O ATOM 677 CB LEU A 42 28.234 25.350 5.015 1.00 3.82 C ATOM 678 CG LEU A 42 27.771 25.570 6.458 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.248 25.734 6.494 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.176 24.358 7.303 1.00 2.48 C ATOM 0 H LEU A 42 29.288 25.861 2.745 1.00 7.13 H new ATOM 0 HA LEU A 42 26.740 26.611 4.103 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.798 24.431 4.623 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.317 25.226 4.989 1.00 3.82 H new ATOM 0 HG LEU A 42 28.236 26.471 6.858 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.923 25.890 7.523 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.960 26.593 5.888 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.776 24.835 6.097 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.850 24.507 8.332 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.707 23.460 6.900 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.260 24.243 7.279 1.00 2.48 H new ATOM 692 N GLU A 43 27.577 28.652 5.280 1.00 5.92 N ATOM 693 CA GLU A 43 28.083 29.934 5.843 1.00 7.54 C ATOM 694 C GLU A 43 27.343 30.264 7.140 1.00 6.00 C ATOM 695 O GLU A 43 26.400 29.600 7.522 1.00 4.97 O ATOM 696 CB GLU A 43 27.847 31.054 4.825 1.00 8.77 C ATOM 697 CG GLU A 43 28.393 32.376 5.373 1.00 16.17 C ATOM 698 CD GLU A 43 28.663 33.339 4.215 1.00 21.65 C ATOM 699 OE1 GLU A 43 27.733 34.009 3.799 1.00 22.03 O ATOM 700 OE2 GLU A 43 29.795 33.389 3.764 1.00 19.19 O ATOM 0 H GLU A 43 26.574 28.496 5.384 1.00 5.92 H new ATOM 0 HA GLU A 43 29.148 29.840 6.055 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.337 30.810 3.882 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.782 31.149 4.615 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.677 32.817 6.067 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.311 32.198 5.933 1.00 16.17 H new ATOM 707 N PHE A 44 27.763 31.303 7.805 1.00 7.78 N ATOM 708 CA PHE A 44 27.101 31.727 9.070 1.00 9.60 C ATOM 709 C PHE A 44 26.967 33.249 9.029 1.00 6.71 C ATOM 710 O PHE A 44 27.945 33.970 9.055 1.00 6.85 O ATOM 711 CB PHE A 44 27.954 31.297 10.264 1.00 12.09 C ATOM 712 CG PHE A 44 28.321 29.840 10.109 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.376 28.845 10.391 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.604 29.483 9.676 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.716 27.496 10.241 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.943 28.133 9.528 1.00 16.33 C ATOM 717 CZ PHE A 44 28.999 27.140 9.811 1.00 10.85 C ATOM 0 H PHE A 44 28.550 31.886 7.521 1.00 7.78 H new ATOM 0 HA PHE A 44 26.119 31.265 9.172 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.855 31.908 10.322 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.405 31.450 11.193 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.386 29.119 10.724 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.332 30.250 9.456 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.987 26.729 10.457 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.933 27.858 9.195 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.261 26.098 9.698 1.00 10.85 H new ATOM 727 N VAL A 45 25.765 33.740 8.906 1.00 6.10 N ATOM 728 CA VAL A 45 25.563 35.214 8.793 1.00 6.58 C ATOM 729 C VAL A 45 25.230 35.851 10.148 1.00 6.12 C ATOM 730 O VAL A 45 24.122 35.757 10.638 1.00 5.14 O ATOM 731 CB VAL A 45 24.415 35.465 7.813 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.056 36.950 7.806 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.850 35.038 6.408 1.00 2.33 C ATOM 0 H VAL A 45 24.911 33.183 8.879 1.00 6.10 H new ATOM 0 HA VAL A 45 26.488 35.668 8.439 1.00 6.58 H new ATOM 0 HB VAL A 45 23.543 34.888 8.120 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.238 37.123 7.107 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.749 37.255 8.806 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.925 37.533 7.500 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.036 35.215 5.706 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.722 35.617 6.105 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.102 33.978 6.412 1.00 2.33 H new ATOM 743 N ASP A 46 26.183 36.530 10.735 1.00 6.79 N ATOM 744 CA ASP A 46 25.938 37.215 12.035 1.00 6.49 C ATOM 745 C ASP A 46 25.242 38.552 11.757 1.00 9.11 C ATOM 746 O ASP A 46 25.858 39.507 11.326 1.00 7.52 O ATOM 747 CB ASP A 46 27.278 37.460 12.728 1.00 7.84 C ATOM 748 CG ASP A 46 28.042 36.138 12.832 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.579 35.164 12.261 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.076 36.122 13.479 1.00 15.32 O ATOM 0 H ASP A 46 27.127 36.638 10.364 1.00 6.79 H new ATOM 0 HA ASP A 46 25.308 36.601 12.679 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.863 38.188 12.167 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.116 37.879 13.721 1.00 7.84 H new ATOM 755 N ILE A 47 23.957 38.618 11.972 1.00 8.21 N ATOM 756 CA ILE A 47 23.212 39.881 11.689 1.00 8.33 C ATOM 757 C ILE A 47 23.682 41.027 12.594 1.00 10.92 C ATOM 758 O ILE A 47 23.217 42.143 12.470 1.00 9.40 O ATOM 759 CB ILE A 47 21.716 39.646 11.886 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.450 39.118 13.298 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.233 38.619 10.864 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.963 39.276 13.621 1.00 7.93 C ATOM 0 H ILE A 47 23.388 37.852 12.332 1.00 8.21 H new ATOM 0 HA ILE A 47 23.410 40.168 10.656 1.00 8.33 H new ATOM 0 HB ILE A 47 21.183 40.587 11.751 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.740 38.070 13.368 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.052 39.665 14.023 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.165 38.446 10.999 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.416 38.994 9.857 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.773 37.683 11.006 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.767 38.902 14.626 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.689 40.330 13.567 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.372 38.710 12.901 1.00 7.93 H new ATOM 774 N THR A 48 24.598 40.780 13.493 1.00 13.41 N ATOM 775 CA THR A 48 25.077 41.886 14.378 1.00 16.67 C ATOM 776 C THR A 48 26.316 42.520 13.745 1.00 16.58 C ATOM 777 O THR A 48 26.702 43.624 14.075 1.00 18.03 O ATOM 778 CB THR A 48 25.436 41.334 15.764 1.00 15.80 C ATOM 779 OG1 THR A 48 26.442 42.152 16.350 1.00 21.06 O ATOM 780 CG2 THR A 48 25.955 39.902 15.633 1.00 21.72 C ATOM 0 H THR A 48 25.032 39.871 13.653 1.00 13.41 H new ATOM 0 HA THR A 48 24.289 42.631 14.490 1.00 16.67 H new ATOM 0 HB THR A 48 24.547 41.336 16.395 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.672 41.803 17.236 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.208 39.515 16.620 1.00 21.72 H new ATOM 0 HG22 THR A 48 25.184 39.275 15.184 1.00 21.72 H new ATOM 0 HG23 THR A 48 26.843 39.893 15.001 1.00 21.72 H new ATOM 788 N ALA A 49 26.935 41.828 12.829 1.00 15.36 N ATOM 789 CA ALA A 49 28.143 42.381 12.157 1.00 18.08 C ATOM 790 C ALA A 49 27.715 43.385 11.083 1.00 20.63 C ATOM 791 O ALA A 49 28.498 43.777 10.242 1.00 22.45 O ATOM 792 CB ALA A 49 28.928 41.243 11.503 1.00 18.76 C ATOM 0 H ALA A 49 26.654 40.899 12.516 1.00 15.36 H new ATOM 0 HA ALA A 49 28.771 42.881 12.894 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.813 41.647 11.011 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.233 40.526 12.265 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.299 40.744 10.766 1.00 18.76 H new ATOM 798 N THR A 50 26.475 43.798 11.099 1.00 22.30 N ATOM 799 CA THR A 50 25.998 44.770 10.070 1.00 25.27 C ATOM 800 C THR A 50 25.013 45.757 10.704 1.00 24.34 C ATOM 801 O THR A 50 24.507 46.644 10.047 1.00 25.49 O ATOM 802 CB THR A 50 25.297 44.009 8.941 1.00 22.85 C ATOM 803 OG1 THR A 50 24.987 44.910 7.888 1.00 23.28 O ATOM 804 CG2 THR A 50 24.009 43.374 9.470 1.00 25.63 C ATOM 0 H THR A 50 25.773 43.505 11.778 1.00 22.30 H new ATOM 0 HA THR A 50 26.851 45.319 9.671 1.00 25.27 H new ATOM 0 HB THR A 50 25.956 43.225 8.567 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.711 45.771 8.265 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.512 42.833 8.664 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.249 42.682 10.277 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.347 44.154 9.846 1.00 25.63 H new ATOM 812 N ASN A 51 24.737 45.609 11.971 1.00 0.00 N ATOM 813 CA ASN A 51 23.785 46.538 12.645 1.00 0.00 C ATOM 814 C ASN A 51 22.378 46.327 12.082 1.00 0.00 C ATOM 815 O ASN A 51 22.134 45.409 11.325 1.00 0.00 O ATOM 816 CB ASN A 51 24.217 47.990 12.413 1.00 0.00 C ATOM 817 CG ASN A 51 25.723 48.121 12.649 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.149 48.526 13.712 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.554 47.795 11.697 1.00 0.00 N ATOM 0 H ASN A 51 25.131 44.883 12.570 1.00 0.00 H new ATOM 0 HA ASN A 51 23.784 46.332 13.715 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.970 48.296 11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.674 48.654 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.559 47.880 11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.198 47.455 10.804 1.00 0.00 H new ATOM 826 N HIS A 52 21.452 47.172 12.446 1.00 0.00 N ATOM 827 CA HIS A 52 20.060 47.025 11.933 1.00 0.00 C ATOM 828 C HIS A 52 19.537 45.628 12.274 1.00 0.00 C ATOM 829 O HIS A 52 18.749 45.055 11.549 1.00 0.00 O ATOM 830 CB HIS A 52 20.041 47.220 10.411 1.00 0.00 C ATOM 831 CG HIS A 52 21.200 48.081 9.990 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.093 47.683 9.007 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.619 49.324 10.396 1.00 0.00 C ATOM 834 CE1 HIS A 52 22.994 48.670 8.855 1.00 0.00 C ATOM 835 NE2 HIS A 52 22.752 49.694 9.677 1.00 0.00 N ATOM 0 H HIS A 52 21.600 47.959 13.078 1.00 0.00 H new ATOM 0 HA HIS A 52 19.425 47.778 12.399 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.095 46.253 9.911 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.103 47.684 10.107 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.142 49.923 11.157 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.814 48.638 8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.283 50.561 9.760 1.00 0.00 H new ATOM 843 N THR A 53 19.974 45.070 13.368 1.00 18.27 N ATOM 844 CA THR A 53 19.505 43.707 13.748 1.00 16.01 C ATOM 845 C THR A 53 17.985 43.620 13.594 1.00 16.57 C ATOM 846 O THR A 53 17.468 42.739 12.939 1.00 18.87 O ATOM 847 CB THR A 53 19.886 43.428 15.210 1.00 15.02 C ATOM 848 OG1 THR A 53 19.996 44.660 15.909 1.00 13.32 O ATOM 849 CG2 THR A 53 21.224 42.689 15.266 1.00 9.59 C ATOM 0 H THR A 53 20.635 45.498 14.016 1.00 18.27 H new ATOM 0 HA THR A 53 19.975 42.969 13.098 1.00 16.01 H new ATOM 0 HB THR A 53 19.116 42.810 15.672 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.237 44.486 16.843 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.489 42.494 16.305 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.140 41.744 14.729 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.998 43.302 14.803 1.00 9.59 H new ATOM 857 N ASN A 54 17.269 44.520 14.206 1.00 13.94 N ATOM 858 CA ASN A 54 15.781 44.484 14.119 1.00 18.93 C ATOM 859 C ASN A 54 15.322 44.481 12.661 1.00 16.34 C ATOM 860 O ASN A 54 14.354 43.836 12.315 1.00 15.61 O ATOM 861 CB ASN A 54 15.203 45.710 14.828 1.00 24.12 C ATOM 862 CG ASN A 54 15.808 45.830 16.228 1.00 35.27 C ATOM 863 OD1 ASN A 54 15.521 46.764 16.949 1.00 45.21 O ATOM 864 ND2 ASN A 54 16.641 44.917 16.646 1.00 37.58 N ATOM 0 H ASN A 54 17.651 45.283 14.765 1.00 13.94 H new ATOM 0 HA ASN A 54 15.427 43.571 14.598 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.416 46.610 14.251 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.118 45.625 14.896 1.00 24.12 H new ATOM 0 HD21 ASN A 54 17.050 44.988 17.578 1.00 37.58 H new ATOM 0 HD22 ASN A 54 16.883 44.132 16.041 1.00 37.58 H new ATOM 871 N GLU A 55 15.988 45.199 11.804 1.00 16.09 N ATOM 872 CA GLU A 55 15.555 45.232 10.380 1.00 15.04 C ATOM 873 C GLU A 55 15.644 43.832 9.769 1.00 15.56 C ATOM 874 O GLU A 55 14.731 43.381 9.106 1.00 18.95 O ATOM 875 CB GLU A 55 16.458 46.189 9.599 1.00 18.55 C ATOM 876 CG GLU A 55 16.083 47.639 9.922 1.00 23.55 C ATOM 877 CD GLU A 55 15.975 47.823 11.437 1.00 30.41 C ATOM 878 OE1 GLU A 55 16.992 47.711 12.101 1.00 31.49 O ATOM 879 OE2 GLU A 55 14.876 48.066 11.907 1.00 33.02 O ATOM 0 H GLU A 55 16.809 45.762 12.025 1.00 16.09 H new ATOM 0 HA GLU A 55 14.522 45.575 10.329 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.502 46.008 9.855 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.356 46.007 8.529 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.834 48.317 9.517 1.00 23.55 H new ATOM 0 HG3 GLU A 55 15.135 47.893 9.447 1.00 23.55 H new ATOM 886 N ILE A 56 16.730 43.138 9.969 1.00 9.56 N ATOM 887 CA ILE A 56 16.847 41.778 9.373 1.00 8.91 C ATOM 888 C ILE A 56 15.836 40.829 10.021 1.00 7.70 C ATOM 889 O ILE A 56 15.042 40.211 9.341 1.00 9.84 O ATOM 890 CB ILE A 56 18.269 41.242 9.564 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.219 41.953 8.585 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.289 39.733 9.292 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.785 43.218 9.239 1.00 8.03 C ATOM 0 H ILE A 56 17.534 43.450 10.514 1.00 9.56 H new ATOM 0 HA ILE A 56 16.634 41.842 8.306 1.00 8.91 H new ATOM 0 HB ILE A 56 18.594 41.429 10.587 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.032 41.284 8.302 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.686 42.213 7.670 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.301 39.352 9.428 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.616 39.229 9.985 1.00 2.31 H new ATOM 0 HG23 ILE A 56 17.965 39.543 8.269 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.457 43.718 8.542 1.00 8.03 H new ATOM 0 HD12 ILE A 56 18.967 43.890 9.500 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.334 42.947 10.141 1.00 8.03 H new ATOM 905 N GLN A 57 15.837 40.701 11.321 1.00 7.49 N ATOM 906 CA GLN A 57 14.849 39.779 11.949 1.00 6.88 C ATOM 907 C GLN A 57 13.465 40.224 11.519 1.00 9.50 C ATOM 908 O GLN A 57 12.612 39.425 11.187 1.00 11.03 O ATOM 909 CB GLN A 57 14.938 39.852 13.470 1.00 11.02 C ATOM 910 CG GLN A 57 16.399 39.992 13.895 1.00 12.13 C ATOM 911 CD GLN A 57 16.626 39.224 15.200 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.152 38.129 15.194 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.245 39.759 16.328 1.00 17.84 N ATOM 0 H GLN A 57 16.465 41.184 11.963 1.00 7.49 H new ATOM 0 HA GLN A 57 15.053 38.755 11.637 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.360 40.700 13.837 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.505 38.955 13.913 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.055 39.606 13.114 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.650 41.044 14.031 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.803 40.678 16.333 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.389 39.258 17.205 1.00 17.84 H new ATOM 922 N ASP A 58 13.248 41.505 11.497 1.00 13.48 N ATOM 923 CA ASP A 58 11.930 42.012 11.059 1.00 13.94 C ATOM 924 C ASP A 58 11.661 41.419 9.684 1.00 13.32 C ATOM 925 O ASP A 58 10.542 41.104 9.331 1.00 14.28 O ATOM 926 CB ASP A 58 11.975 43.540 10.966 1.00 12.80 C ATOM 927 CG ASP A 58 11.790 44.148 12.359 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.153 43.495 13.323 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.288 45.257 12.436 1.00 18.84 O ATOM 0 H ASP A 58 13.926 42.219 11.763 1.00 13.48 H new ATOM 0 HA ASP A 58 11.146 41.733 11.763 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.927 43.860 10.543 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.192 43.896 10.296 1.00 12.80 H new ATOM 934 N TYR A 59 12.701 41.244 8.915 1.00 12.69 N ATOM 935 CA TYR A 59 12.537 40.645 7.562 1.00 10.10 C ATOM 936 C TYR A 59 12.415 39.123 7.691 1.00 7.75 C ATOM 937 O TYR A 59 11.528 38.515 7.125 1.00 5.81 O ATOM 938 CB TYR A 59 13.739 40.994 6.685 1.00 12.40 C ATOM 939 CG TYR A 59 13.433 40.610 5.257 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.712 39.316 4.806 1.00 6.81 C ATOM 941 CD2 TYR A 59 12.859 41.546 4.388 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.423 38.956 3.484 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.568 41.187 3.067 1.00 8.47 C ATOM 944 CZ TYR A 59 12.849 39.892 2.615 1.00 9.37 C ATOM 945 OH TYR A 59 12.561 39.539 1.313 1.00 12.99 O ATOM 0 H TYR A 59 13.658 41.491 9.167 1.00 12.69 H new ATOM 0 HA TYR A 59 11.635 41.045 7.099 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.956 42.060 6.750 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.626 40.466 7.035 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.151 38.593 5.478 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.641 42.545 4.737 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.643 37.958 3.135 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.127 41.909 2.396 1.00 8.47 H new ATOM 0 HH TYR A 59 11.960 40.205 0.919 1.00 12.99 H new ATOM 955 N LEU A 60 13.294 38.498 8.437 1.00 10.71 N ATOM 956 CA LEU A 60 13.207 37.016 8.594 1.00 11.04 C ATOM 957 C LEU A 60 11.794 36.665 9.040 1.00 10.32 C ATOM 958 O LEU A 60 11.248 35.638 8.688 1.00 14.61 O ATOM 959 CB LEU A 60 14.198 36.536 9.662 1.00 7.24 C ATOM 960 CG LEU A 60 15.621 36.968 9.303 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.585 36.482 10.388 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.023 36.360 7.955 1.00 7.23 C ATOM 0 H LEU A 60 14.060 38.947 8.939 1.00 10.71 H new ATOM 0 HA LEU A 60 13.447 36.534 7.646 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.921 36.945 10.634 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.152 35.450 9.748 1.00 7.24 H new ATOM 0 HG LEU A 60 15.662 38.055 9.233 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.600 36.788 10.136 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.303 36.917 11.347 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.539 35.395 10.455 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.037 36.671 7.704 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.982 35.273 8.020 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.336 36.704 7.182 1.00 7.23 H new ATOM 974 N GLN A 61 11.201 37.525 9.812 1.00 10.78 N ATOM 975 CA GLN A 61 9.821 37.276 10.297 1.00 11.72 C ATOM 976 C GLN A 61 8.874 37.139 9.100 1.00 14.05 C ATOM 977 O GLN A 61 8.163 36.166 8.967 1.00 14.24 O ATOM 978 CB GLN A 61 9.398 38.464 11.170 1.00 17.47 C ATOM 979 CG GLN A 61 7.877 38.500 11.335 1.00 25.06 C ATOM 980 CD GLN A 61 7.401 37.199 11.976 1.00 31.26 C ATOM 981 OE1 GLN A 61 6.674 36.440 11.369 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.783 36.911 13.190 1.00 30.05 N ATOM 0 H GLN A 61 11.618 38.399 10.131 1.00 10.78 H new ATOM 0 HA GLN A 61 9.782 36.355 10.879 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.873 38.390 12.148 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.742 39.394 10.718 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.588 39.349 11.954 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.399 38.636 10.365 1.00 25.06 H new ATOM 0 HE21 GLN A 61 8.394 37.551 13.698 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.471 36.046 13.631 1.00 30.05 H new ATOM 991 N GLN A 62 8.851 38.112 8.235 1.00 15.71 N ATOM 992 CA GLN A 62 7.941 38.047 7.057 1.00 18.54 C ATOM 993 C GLN A 62 8.382 36.931 6.104 1.00 19.36 C ATOM 994 O GLN A 62 7.570 36.204 5.564 1.00 19.52 O ATOM 995 CB GLN A 62 7.988 39.389 6.321 1.00 25.59 C ATOM 996 CG GLN A 62 6.745 39.549 5.446 1.00 34.08 C ATOM 997 CD GLN A 62 6.785 38.527 4.310 1.00 38.28 C ATOM 998 OE1 GLN A 62 5.904 37.698 4.190 1.00 41.81 O ATOM 999 NE2 GLN A 62 7.777 38.553 3.463 1.00 36.81 N ATOM 0 H GLN A 62 9.425 38.953 8.292 1.00 15.71 H new ATOM 0 HA GLN A 62 6.927 37.838 7.397 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.044 40.206 7.040 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.886 39.444 5.705 1.00 25.59 H new ATOM 0 HG2 GLN A 62 5.845 39.408 6.045 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.702 40.559 5.039 1.00 34.08 H new ATOM 0 HE21 GLN A 62 8.516 39.249 3.564 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.814 37.878 2.700 1.00 36.81 H new ATOM 1008 N LEU A 63 9.659 36.807 5.876 1.00 17.09 N ATOM 1009 CA LEU A 63 10.157 35.759 4.937 1.00 16.00 C ATOM 1010 C LEU A 63 9.810 34.365 5.456 1.00 11.34 C ATOM 1011 O LEU A 63 9.326 33.525 4.725 1.00 10.68 O ATOM 1012 CB LEU A 63 11.678 35.890 4.794 1.00 19.91 C ATOM 1013 CG LEU A 63 12.197 34.886 3.753 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.821 35.350 2.341 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.722 34.781 3.862 1.00 19.51 C ATOM 0 H LEU A 63 10.383 37.387 6.300 1.00 17.09 H new ATOM 0 HA LEU A 63 9.679 35.898 3.967 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.937 36.905 4.493 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.159 35.710 5.756 1.00 19.91 H new ATOM 0 HG LEU A 63 11.745 33.912 3.942 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.193 34.632 1.611 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.737 35.422 2.258 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.265 36.327 2.149 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.091 34.069 3.124 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.168 35.758 3.678 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.993 34.441 4.862 1.00 19.51 H new ATOM 1027 N THR A 64 10.062 34.108 6.705 1.00 10.04 N ATOM 1028 CA THR A 64 9.758 32.759 7.270 1.00 8.87 C ATOM 1029 C THR A 64 8.566 32.856 8.219 1.00 10.75 C ATOM 1030 O THR A 64 7.527 32.268 7.991 1.00 11.38 O ATOM 1031 CB THR A 64 10.977 32.239 8.041 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.892 32.655 9.397 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.258 32.792 7.416 1.00 6.96 C ATOM 0 H THR A 64 10.466 34.773 7.365 1.00 10.04 H new ATOM 0 HA THR A 64 9.520 32.074 6.456 1.00 8.87 H new ATOM 0 HB THR A 64 10.996 31.150 7.994 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.464 32.083 9.951 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.122 32.420 7.967 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.324 32.470 6.377 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.243 33.881 7.458 1.00 6.96 H new ATOM 1041 N GLY A 65 8.707 33.588 9.288 1.00 10.19 N ATOM 1042 CA GLY A 65 7.584 33.717 10.255 1.00 13.28 C ATOM 1043 C GLY A 65 8.146 33.885 11.666 1.00 14.66 C ATOM 1044 O GLY A 65 7.630 34.641 12.463 1.00 14.79 O ATOM 0 H GLY A 65 9.553 34.103 9.534 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.962 34.574 9.995 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.946 32.834 10.208 1.00 13.28 H new ATOM 1048 N ALA A 66 9.198 33.181 11.984 1.00 12.02 N ATOM 1049 CA ALA A 66 9.793 33.295 13.347 1.00 9.85 C ATOM 1050 C ALA A 66 10.988 34.247 13.318 1.00 14.04 C ATOM 1051 O ALA A 66 11.780 34.240 12.398 1.00 17.81 O ATOM 1052 CB ALA A 66 10.255 31.916 13.813 1.00 13.74 C ATOM 0 H ALA A 66 9.672 32.530 11.358 1.00 12.02 H new ATOM 0 HA ALA A 66 9.042 33.685 14.034 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.691 31.996 14.809 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.402 31.238 13.843 1.00 13.74 H new ATOM 0 HB3 ALA A 66 11.002 31.529 13.120 1.00 13.74 H new ATOM 1058 N ARG A 67 11.126 35.057 14.331 1.00 15.81 N ATOM 1059 CA ARG A 67 12.268 36.009 14.396 1.00 16.07 C ATOM 1060 C ARG A 67 13.266 35.500 15.439 1.00 14.37 C ATOM 1061 O ARG A 67 14.012 36.255 16.030 1.00 14.43 O ATOM 1062 CB ARG A 67 11.743 37.383 14.810 1.00 15.97 C ATOM 1063 CG ARG A 67 10.926 37.272 16.111 1.00 17.12 C ATOM 1064 CD ARG A 67 11.676 37.953 17.259 1.00 22.31 C ATOM 1065 NE ARG A 67 12.049 39.336 16.852 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.426 40.198 17.753 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.470 39.847 19.008 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.760 41.409 17.399 1.00 21.50 N ATOM 0 H ARG A 67 10.488 35.099 15.126 1.00 15.81 H new ATOM 0 HA ARG A 67 12.758 36.087 13.426 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.577 38.071 14.953 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.121 37.797 14.016 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.949 37.737 15.978 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.750 36.224 16.352 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.051 37.981 18.151 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.570 37.383 17.513 1.00 22.31 H new ATOM 0 HE ARG A 67 12.009 39.608 15.870 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.210 38.900 19.282 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.765 40.520 19.716 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.726 41.681 16.416 1.00 21.50 H new ATOM 0 HH22 ARG A 67 13.055 42.084 18.105 1.00 21.50 H new ATOM 1082 N THR A 68 13.251 34.218 15.681 1.00 13.52 N ATOM 1083 CA THR A 68 14.156 33.611 16.701 1.00 14.97 C ATOM 1084 C THR A 68 15.551 33.346 16.109 1.00 12.85 C ATOM 1085 O THR A 68 15.757 33.410 14.913 1.00 10.80 O ATOM 1086 CB THR A 68 13.537 32.276 17.142 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.264 32.128 16.534 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.377 32.233 18.661 1.00 14.06 C ATOM 0 H THR A 68 12.639 33.553 15.207 1.00 13.52 H new ATOM 0 HA THR A 68 14.266 34.295 17.543 1.00 14.97 H new ATOM 0 HB THR A 68 14.197 31.465 16.835 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.866 31.276 16.811 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.937 31.280 18.954 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.353 32.342 19.133 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.726 33.047 18.981 1.00 14.06 H new ATOM 1096 N VAL A 69 16.501 33.017 16.951 1.00 8.20 N ATOM 1097 CA VAL A 69 17.883 32.713 16.467 1.00 5.92 C ATOM 1098 C VAL A 69 18.144 31.215 16.666 1.00 5.25 C ATOM 1099 O VAL A 69 17.881 30.703 17.729 1.00 5.78 O ATOM 1100 CB VAL A 69 18.905 33.483 17.312 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.281 33.425 16.647 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.475 34.942 17.457 1.00 4.08 C ATOM 0 H VAL A 69 16.376 32.946 17.961 1.00 8.20 H new ATOM 0 HA VAL A 69 17.974 32.996 15.418 1.00 5.92 H new ATOM 0 HB VAL A 69 18.958 33.023 18.299 1.00 4.36 H new ATOM 0 HG11 VAL A 69 21.001 33.974 17.253 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.599 32.386 16.558 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.225 33.873 15.655 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.208 35.479 18.059 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.408 35.401 16.471 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.501 34.988 17.945 1.00 4.08 H new ATOM 1112 N PRO A 70 18.673 30.543 15.675 1.00 5.33 N ATOM 1113 CA PRO A 70 19.025 31.104 14.353 1.00 6.04 C ATOM 1114 C PRO A 70 17.833 31.078 13.385 1.00 7.79 C ATOM 1115 O PRO A 70 16.693 30.867 13.754 1.00 7.15 O ATOM 1116 CB PRO A 70 20.086 30.123 13.831 1.00 3.22 C ATOM 1117 CG PRO A 70 19.918 28.808 14.633 1.00 6.88 C ATOM 1118 CD PRO A 70 19.012 29.121 15.831 1.00 6.17 C ATOM 0 HA PRO A 70 19.350 32.142 14.429 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.954 29.944 12.764 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.088 30.531 13.964 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.477 28.031 14.009 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.886 28.436 14.969 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.118 28.497 15.826 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.525 28.936 16.775 1.00 6.17 H new ATOM 1126 N ARG A 71 18.146 31.240 12.130 1.00 6.15 N ATOM 1127 CA ARG A 71 17.138 31.183 11.038 1.00 7.10 C ATOM 1128 C ARG A 71 17.861 30.542 9.846 1.00 4.23 C ATOM 1129 O ARG A 71 18.594 31.195 9.128 1.00 6.47 O ATOM 1130 CB ARG A 71 16.646 32.596 10.675 1.00 10.23 C ATOM 1131 CG ARG A 71 15.210 32.523 10.124 1.00 15.67 C ATOM 1132 CD ARG A 71 14.197 32.695 11.262 1.00 20.29 C ATOM 1133 NE ARG A 71 14.048 31.412 12.000 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.557 31.413 13.207 1.00 19.78 C ATOM 1135 NH1 ARG A 71 13.220 32.539 13.769 1.00 22.60 N ATOM 1136 NH2 ARG A 71 13.410 30.289 13.854 1.00 23.53 N ATOM 0 H ARG A 71 19.097 31.416 11.806 1.00 6.15 H new ATOM 0 HA ARG A 71 16.258 30.612 11.333 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.675 33.238 11.555 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.308 33.042 9.933 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.061 33.300 9.374 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.051 31.566 9.628 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.529 33.480 11.942 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.234 33.008 10.860 1.00 20.29 H new ATOM 0 HE ARG A 71 14.329 30.534 11.563 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.341 33.417 13.264 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.835 32.542 14.714 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.680 29.409 13.415 1.00 23.53 H new ATOM 0 HH22 ARG A 71 13.026 30.291 14.799 1.00 23.53 H new ATOM 1150 N VAL A 72 17.715 29.254 9.678 1.00 4.55 N ATOM 1151 CA VAL A 72 18.447 28.537 8.585 1.00 6.53 C ATOM 1152 C VAL A 72 17.686 28.600 7.261 1.00 8.68 C ATOM 1153 O VAL A 72 16.488 28.801 7.225 1.00 6.48 O ATOM 1154 CB VAL A 72 18.625 27.077 9.003 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.342 26.304 7.893 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.454 27.018 10.293 1.00 3.35 C ATOM 0 H VAL A 72 17.117 28.662 10.254 1.00 4.55 H new ATOM 0 HA VAL A 72 19.412 29.020 8.433 1.00 6.53 H new ATOM 0 HB VAL A 72 17.648 26.626 9.176 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.466 25.264 8.196 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.750 26.347 6.979 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.321 26.749 7.713 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.584 25.979 10.595 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.431 27.470 10.119 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.937 27.564 11.083 1.00 3.35 H new ATOM 1166 N PHE A 73 18.391 28.440 6.163 1.00 5.39 N ATOM 1167 CA PHE A 73 17.727 28.504 4.829 1.00 6.90 C ATOM 1168 C PHE A 73 18.362 27.525 3.837 1.00 7.16 C ATOM 1169 O PHE A 73 19.265 27.887 3.109 1.00 14.07 O ATOM 1170 CB PHE A 73 17.894 29.908 4.249 1.00 6.44 C ATOM 1171 CG PHE A 73 17.021 30.888 4.984 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.514 31.556 6.109 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.723 31.142 4.527 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.708 32.480 6.780 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.915 32.064 5.199 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.408 32.735 6.325 1.00 7.54 C ATOM 0 H PHE A 73 19.396 28.268 6.138 1.00 5.39 H new ATOM 0 HA PHE A 73 16.677 28.248 4.973 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.937 30.216 4.321 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.635 29.904 3.190 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.516 31.358 6.459 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.346 30.626 3.656 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.087 32.997 7.649 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.912 32.259 4.850 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.785 33.450 6.843 1.00 7.54 H new ATOM 1186 N ILE A 74 17.874 26.320 3.734 1.00 5.91 N ATOM 1187 CA ILE A 74 18.451 25.410 2.707 1.00 7.08 C ATOM 1188 C ILE A 74 17.964 25.962 1.372 1.00 8.52 C ATOM 1189 O ILE A 74 16.775 26.030 1.129 1.00 6.64 O ATOM 1190 CB ILE A 74 17.939 23.975 2.895 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.723 23.697 4.387 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.959 22.980 2.316 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.021 23.942 5.161 1.00 9.34 C ATOM 0 H ILE A 74 17.120 25.933 4.301 1.00 5.91 H new ATOM 0 HA ILE A 74 19.538 25.370 2.773 1.00 7.08 H new ATOM 0 HB ILE A 74 16.991 23.857 2.370 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.933 24.340 4.774 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.394 22.667 4.529 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.592 21.963 2.451 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.097 23.178 1.253 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.912 23.094 2.833 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.857 23.742 6.220 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.800 23.280 4.783 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.331 24.979 5.032 1.00 9.34 H new ATOM 1205 N GLY A 75 18.838 26.430 0.529 1.00 9.27 N ATOM 1206 CA GLY A 75 18.340 27.043 -0.730 1.00 9.68 C ATOM 1207 C GLY A 75 17.402 28.173 -0.298 1.00 12.42 C ATOM 1208 O GLY A 75 17.515 28.671 0.803 1.00 11.15 O ATOM 0 H GLY A 75 19.851 26.416 0.651 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.164 27.427 -1.331 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.814 26.310 -1.341 1.00 9.68 H new ATOM 1212 N LYS A 76 16.467 28.577 -1.106 1.00 14.40 N ATOM 1213 CA LYS A 76 15.548 29.657 -0.644 1.00 16.68 C ATOM 1214 C LYS A 76 14.468 29.033 0.249 1.00 16.27 C ATOM 1215 O LYS A 76 13.534 29.690 0.665 1.00 14.00 O ATOM 1216 CB LYS A 76 14.886 30.339 -1.845 1.00 23.46 C ATOM 1217 CG LYS A 76 15.931 31.126 -2.644 1.00 30.10 C ATOM 1218 CD LYS A 76 15.242 32.270 -3.397 1.00 38.66 C ATOM 1219 CE LYS A 76 16.277 33.063 -4.200 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.736 34.420 -4.495 1.00 44.86 N ATOM 0 H LYS A 76 16.298 28.218 -2.046 1.00 14.40 H new ATOM 0 HA LYS A 76 16.114 30.403 -0.087 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.415 29.592 -2.484 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.097 31.009 -1.504 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.693 31.524 -1.974 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.439 30.467 -3.348 1.00 30.10 H new ATOM 0 HD2 LYS A 76 14.479 31.870 -4.065 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.734 32.928 -2.691 1.00 38.66 H new ATOM 0 HE2 LYS A 76 17.207 33.144 -3.637 1.00 42.17 H new ATOM 0 HE3 LYS A 76 16.511 32.542 -5.129 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 16.436 34.962 -5.040 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.860 34.332 -5.048 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.534 34.915 -3.603 1.00 44.86 H new ATOM 1234 N ASP A 77 14.586 27.761 0.532 1.00 0.00 N ATOM 1235 CA ASP A 77 13.569 27.071 1.382 1.00 0.00 C ATOM 1236 C ASP A 77 13.948 27.161 2.866 1.00 0.00 C ATOM 1237 O ASP A 77 14.940 26.609 3.299 1.00 0.00 O ATOM 1238 CB ASP A 77 13.493 25.599 0.968 1.00 0.00 C ATOM 1239 CG ASP A 77 13.300 25.505 -0.547 1.00 0.00 C ATOM 1240 OD1 ASP A 77 13.564 26.487 -1.220 1.00 0.00 O ATOM 1241 OD2 ASP A 77 12.892 24.451 -1.008 1.00 0.00 O ATOM 0 H ASP A 77 15.349 27.166 0.208 1.00 0.00 H new ATOM 0 HA ASP A 77 12.603 27.556 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.405 25.080 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.667 25.108 1.482 1.00 0.00 H new ATOM 1246 N SER A 78 13.152 27.842 3.650 1.00 0.00 N ATOM 1247 CA SER A 78 13.442 27.958 5.111 1.00 0.00 C ATOM 1248 C SER A 78 13.044 26.659 5.821 1.00 0.00 C ATOM 1249 O SER A 78 12.035 26.061 5.505 1.00 0.00 O ATOM 1250 CB SER A 78 12.632 29.115 5.694 1.00 0.00 C ATOM 1251 OG SER A 78 12.992 29.304 7.057 1.00 0.00 O ATOM 0 H SER A 78 12.309 28.325 3.339 1.00 0.00 H new ATOM 0 HA SER A 78 14.507 28.140 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.820 30.027 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.566 28.904 5.614 1.00 0.00 H new ATOM 0 HG SER A 78 12.182 29.345 7.607 1.00 0.00 H new ATOM 1257 N ILE A 79 13.812 26.228 6.792 1.00 14.84 N ATOM 1258 CA ILE A 79 13.450 24.976 7.530 1.00 16.24 C ATOM 1259 C ILE A 79 13.006 25.339 8.950 1.00 13.64 C ATOM 1260 O ILE A 79 12.372 24.556 9.630 1.00 15.36 O ATOM 1261 CB ILE A 79 14.657 24.038 7.619 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.912 24.834 8.022 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.883 23.353 6.269 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.717 24.035 9.054 1.00 20.45 C ATOM 0 H ILE A 79 14.669 26.685 7.104 1.00 14.84 H new ATOM 0 HA ILE A 79 12.644 24.475 6.994 1.00 16.24 H new ATOM 0 HB ILE A 79 14.463 23.278 8.375 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.525 25.035 7.144 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.625 25.800 8.438 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.743 22.687 6.338 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.998 22.776 6.001 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.069 24.108 5.505 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.605 24.599 9.339 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.102 23.857 9.936 1.00 20.45 H new ATOM 0 HD13 ILE A 79 17.017 23.080 8.622 1.00 20.45 H new ATOM 1276 N GLY A 80 13.334 26.522 9.403 1.00 12.42 N ATOM 1277 CA GLY A 80 12.930 26.941 10.781 1.00 13.73 C ATOM 1278 C GLY A 80 14.155 27.424 11.564 1.00 12.94 C ATOM 1279 O GLY A 80 15.170 27.780 10.997 1.00 13.82 O ATOM 0 H GLY A 80 13.865 27.217 8.878 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.188 27.737 10.725 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.462 26.105 11.301 1.00 13.73 H new ATOM 1283 N GLY A 81 14.059 27.445 12.866 1.00 12.24 N ATOM 1284 CA GLY A 81 15.204 27.912 13.699 1.00 10.24 C ATOM 1285 C GLY A 81 16.120 26.738 14.035 1.00 11.98 C ATOM 1286 O GLY A 81 16.271 25.810 13.265 1.00 12.42 O ATOM 0 H GLY A 81 13.233 27.157 13.391 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.764 28.679 13.164 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.834 28.369 14.617 1.00 10.24 H new ATOM 1290 N SER A 82 16.742 26.781 15.180 1.00 0.00 N ATOM 1291 CA SER A 82 17.665 25.682 15.574 1.00 0.00 C ATOM 1292 C SER A 82 16.868 24.425 15.908 1.00 0.00 C ATOM 1293 O SER A 82 17.029 23.391 15.290 1.00 0.00 O ATOM 1294 CB SER A 82 18.474 26.115 16.799 1.00 0.00 C ATOM 1295 OG SER A 82 18.798 24.971 17.580 1.00 0.00 O ATOM 0 H SER A 82 16.650 27.534 15.862 1.00 0.00 H new ATOM 0 HA SER A 82 18.339 25.465 14.745 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.385 26.625 16.485 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.901 26.825 17.395 1.00 0.00 H new ATOM 0 HG SER A 82 19.317 25.247 18.364 1.00 0.00 H new ATOM 1301 N SER A 83 16.011 24.506 16.882 1.00 0.00 N ATOM 1302 CA SER A 83 15.204 23.316 17.267 1.00 0.00 C ATOM 1303 C SER A 83 14.537 22.738 16.022 1.00 0.00 C ATOM 1304 O SER A 83 14.229 21.565 15.955 1.00 0.00 O ATOM 1305 CB SER A 83 14.141 23.732 18.285 1.00 0.00 C ATOM 1306 OG SER A 83 13.013 22.876 18.166 1.00 0.00 O ATOM 0 H SER A 83 15.833 25.347 17.431 1.00 0.00 H new ATOM 0 HA SER A 83 15.849 22.559 17.714 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.548 23.678 19.295 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.845 24.767 18.116 1.00 0.00 H new ATOM 0 HG SER A 83 12.331 23.140 18.819 1.00 0.00 H new ATOM 1312 N ASP A 84 14.325 23.552 15.031 1.00 12.98 N ATOM 1313 CA ASP A 84 13.693 23.055 13.779 1.00 14.53 C ATOM 1314 C ASP A 84 14.725 22.251 12.984 1.00 11.28 C ATOM 1315 O ASP A 84 14.461 21.159 12.524 1.00 12.09 O ATOM 1316 CB ASP A 84 13.208 24.243 12.946 1.00 17.72 C ATOM 1317 CG ASP A 84 11.929 24.813 13.565 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.042 25.613 14.480 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.859 24.441 13.113 1.00 21.94 O ATOM 0 H ASP A 84 14.562 24.544 15.032 1.00 12.98 H new ATOM 0 HA ASP A 84 12.842 22.418 14.021 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.979 25.012 12.906 1.00 17.72 H new ATOM 0 HB3 ASP A 84 13.019 23.928 11.920 1.00 17.72 H new ATOM 1324 N LEU A 85 15.900 22.792 12.821 1.00 11.34 N ATOM 1325 CA LEU A 85 16.964 22.077 12.057 1.00 11.04 C ATOM 1326 C LEU A 85 17.177 20.677 12.640 1.00 12.09 C ATOM 1327 O LEU A 85 17.043 19.680 11.959 1.00 11.43 O ATOM 1328 CB LEU A 85 18.273 22.865 12.165 1.00 9.45 C ATOM 1329 CG LEU A 85 19.259 22.404 11.082 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.490 23.319 11.081 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.698 20.958 11.353 1.00 15.31 C ATOM 0 H LEU A 85 16.172 23.705 13.186 1.00 11.34 H new ATOM 0 HA LEU A 85 16.660 21.991 11.014 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.074 23.931 12.056 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.712 22.721 13.152 1.00 9.45 H new ATOM 0 HG LEU A 85 18.767 22.454 10.111 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.188 22.989 10.311 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.181 24.344 10.876 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.977 23.275 12.055 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.397 20.639 10.580 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.184 20.902 12.327 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.825 20.305 11.344 1.00 15.31 H new ATOM 1343 N VAL A 86 17.533 20.601 13.892 1.00 0.00 N ATOM 1344 CA VAL A 86 17.788 19.271 14.524 1.00 0.00 C ATOM 1345 C VAL A 86 16.612 18.331 14.273 1.00 0.00 C ATOM 1346 O VAL A 86 16.792 17.220 13.821 1.00 0.00 O ATOM 1347 CB VAL A 86 17.979 19.440 16.038 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.470 19.382 16.387 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.414 20.791 16.477 1.00 0.00 C ATOM 0 H VAL A 86 17.659 21.404 14.509 1.00 0.00 H new ATOM 0 HA VAL A 86 18.690 18.847 14.084 1.00 0.00 H new ATOM 0 HB VAL A 86 17.455 18.635 16.553 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.597 19.503 17.463 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.879 18.419 16.079 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.997 20.183 15.868 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.550 20.910 17.552 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.937 21.591 15.954 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.351 20.836 16.238 1.00 0.00 H new ATOM 1359 N SER A 87 15.415 18.755 14.562 1.00 14.12 N ATOM 1360 CA SER A 87 14.249 17.857 14.337 1.00 14.37 C ATOM 1361 C SER A 87 14.365 17.230 12.946 1.00 13.29 C ATOM 1362 O SER A 87 13.975 16.102 12.724 1.00 11.18 O ATOM 1363 CB SER A 87 12.954 18.671 14.432 1.00 13.30 C ATOM 1364 OG SER A 87 12.635 18.894 15.802 1.00 21.79 O ATOM 0 H SER A 87 15.194 19.676 14.941 1.00 14.12 H new ATOM 0 HA SER A 87 14.234 17.071 15.092 1.00 14.37 H new ATOM 0 HB2 SER A 87 13.071 19.623 13.915 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.140 18.139 13.940 1.00 13.30 H new ATOM 0 HG SER A 87 13.038 19.737 16.099 1.00 21.79 H new ATOM 1370 N LEU A 88 14.891 17.962 12.005 1.00 0.00 N ATOM 1371 CA LEU A 88 15.032 17.426 10.620 1.00 0.00 C ATOM 1372 C LEU A 88 16.288 16.552 10.473 1.00 0.00 C ATOM 1373 O LEU A 88 16.278 15.558 9.774 1.00 0.00 O ATOM 1374 CB LEU A 88 15.101 18.599 9.644 1.00 0.00 C ATOM 1375 CG LEU A 88 13.854 19.471 9.822 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.041 20.797 9.083 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.625 18.739 9.266 1.00 0.00 C ATOM 0 H LEU A 88 15.232 18.915 12.135 1.00 0.00 H new ATOM 0 HA LEU A 88 14.168 16.798 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.001 19.187 9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.161 18.233 8.619 1.00 0.00 H new ATOM 0 HG LEU A 88 13.705 19.669 10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.152 21.414 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.908 21.320 9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.197 20.603 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.741 19.363 9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.773 18.533 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.488 17.800 9.802 1.00 0.00 H new ATOM 1389 N GLN A 89 17.379 16.926 11.087 1.00 0.00 N ATOM 1390 CA GLN A 89 18.634 16.128 10.931 1.00 0.00 C ATOM 1391 C GLN A 89 18.430 14.693 11.430 1.00 0.00 C ATOM 1392 O GLN A 89 18.610 13.744 10.693 1.00 0.00 O ATOM 1393 CB GLN A 89 19.766 16.791 11.725 1.00 0.00 C ATOM 1394 CG GLN A 89 21.124 16.355 11.162 1.00 0.00 C ATOM 1395 CD GLN A 89 21.189 14.829 11.082 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.163 14.155 12.093 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.268 14.251 9.915 1.00 0.00 N ATOM 0 H GLN A 89 17.457 17.746 11.688 1.00 0.00 H new ATOM 0 HA GLN A 89 18.895 16.095 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.672 17.876 11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.693 16.516 12.777 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.272 16.786 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.928 16.729 11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.290 14.816 9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.308 13.234 9.851 1.00 0.00 H new ATOM 1406 N GLN A 90 18.077 14.520 12.672 1.00 0.00 N ATOM 1407 CA GLN A 90 17.888 13.143 13.196 1.00 0.00 C ATOM 1408 C GLN A 90 16.762 12.454 12.432 1.00 0.00 C ATOM 1409 O GLN A 90 16.655 11.243 12.419 1.00 0.00 O ATOM 1410 CB GLN A 90 17.563 13.194 14.691 1.00 0.00 C ATOM 1411 CG GLN A 90 16.441 14.199 14.961 1.00 0.00 C ATOM 1412 CD GLN A 90 15.106 13.627 14.484 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.213 14.364 14.125 1.00 0.00 O ATOM 1414 NE2 GLN A 90 14.930 12.336 14.467 1.00 0.00 N ATOM 0 H GLN A 90 17.912 15.270 13.343 1.00 0.00 H new ATOM 0 HA GLN A 90 18.808 12.575 13.059 1.00 0.00 H new ATOM 0 HB2 GLN A 90 17.265 12.205 15.038 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.454 13.474 15.254 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.391 14.424 16.026 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.649 15.137 14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 90 15.681 11.715 14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.042 11.947 14.152 1.00 0.00 H new ATOM 1423 N SER A 91 15.929 13.213 11.782 1.00 0.00 N ATOM 1424 CA SER A 91 14.818 12.599 11.002 1.00 0.00 C ATOM 1425 C SER A 91 15.355 12.137 9.647 1.00 0.00 C ATOM 1426 O SER A 91 15.087 11.039 9.202 1.00 0.00 O ATOM 1427 CB SER A 91 13.699 13.619 10.797 1.00 0.00 C ATOM 1428 OG SER A 91 13.047 13.854 12.038 1.00 0.00 O ATOM 0 H SER A 91 15.968 14.232 11.756 1.00 0.00 H new ATOM 0 HA SER A 91 14.417 11.745 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.107 14.551 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.984 13.250 10.061 1.00 0.00 H new ATOM 0 HG SER A 91 13.646 14.351 12.634 1.00 0.00 H new ATOM 1434 N GLY A 92 16.124 12.967 8.996 1.00 19.34 N ATOM 1435 CA GLY A 92 16.705 12.588 7.670 1.00 19.37 C ATOM 1436 C GLY A 92 16.085 13.435 6.557 1.00 22.29 C ATOM 1437 O GLY A 92 16.556 13.443 5.437 1.00 25.64 O ATOM 0 H GLY A 92 16.378 13.898 9.326 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.786 12.730 7.685 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.525 11.531 7.475 1.00 19.37 H new ATOM 1441 N GLU A 93 15.042 14.155 6.851 1.00 22.54 N ATOM 1442 CA GLU A 93 14.412 15.004 5.805 1.00 24.53 C ATOM 1443 C GLU A 93 15.369 16.151 5.476 1.00 23.48 C ATOM 1444 O GLU A 93 15.352 16.713 4.399 1.00 22.85 O ATOM 1445 CB GLU A 93 13.093 15.564 6.343 1.00 27.50 C ATOM 1446 CG GLU A 93 12.374 16.338 5.241 1.00 36.43 C ATOM 1447 CD GLU A 93 11.896 15.367 4.160 1.00 44.30 C ATOM 1448 OE1 GLU A 93 11.348 14.337 4.516 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.087 15.670 2.993 1.00 50.26 O ATOM 0 H GLU A 93 14.599 14.193 7.769 1.00 22.54 H new ATOM 0 HA GLU A 93 14.211 14.421 4.906 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.461 14.751 6.701 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.285 16.218 7.194 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.525 16.880 5.658 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.044 17.080 4.807 1.00 36.43 H new ATOM 1456 N LEU A 94 16.204 16.492 6.416 1.00 24.17 N ATOM 1457 CA LEU A 94 17.185 17.596 6.214 1.00 22.19 C ATOM 1458 C LEU A 94 18.113 17.290 5.043 1.00 22.62 C ATOM 1459 O LEU A 94 18.098 17.958 4.028 1.00 21.76 O ATOM 1460 CB LEU A 94 18.031 17.739 7.474 1.00 23.15 C ATOM 1461 CG LEU A 94 18.873 19.018 7.394 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.967 20.255 7.464 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.876 19.039 8.557 1.00 21.18 C ATOM 0 H LEU A 94 16.250 16.045 7.332 1.00 24.17 H new ATOM 0 HA LEU A 94 16.637 18.515 6.003 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.387 17.771 8.353 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.681 16.871 7.587 1.00 23.15 H new ATOM 0 HG LEU A 94 19.412 19.034 6.447 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.577 21.156 7.406 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.264 20.239 6.631 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.416 20.250 8.404 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.476 19.947 8.503 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.336 19.016 9.504 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.528 18.168 8.491 1.00 21.18 H new ATOM 1475 N LEU A 95 18.943 16.297 5.193 1.00 0.00 N ATOM 1476 CA LEU A 95 19.902 15.964 4.108 1.00 0.00 C ATOM 1477 C LEU A 95 19.130 15.807 2.811 1.00 0.00 C ATOM 1478 O LEU A 95 19.626 16.086 1.737 1.00 0.00 O ATOM 1479 CB LEU A 95 20.641 14.669 4.471 1.00 0.00 C ATOM 1480 CG LEU A 95 19.901 13.434 3.928 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.248 13.212 2.446 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.314 12.198 4.742 1.00 0.00 C ATOM 0 H LEU A 95 18.998 15.703 6.020 1.00 0.00 H new ATOM 0 HA LEU A 95 20.640 16.757 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.652 14.698 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.735 14.592 5.554 1.00 0.00 H new ATOM 0 HG LEU A 95 18.827 13.595 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.717 12.335 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.951 14.087 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.322 13.057 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.792 11.320 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.390 12.047 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.053 12.349 5.790 1.00 0.00 H new ATOM 1494 N THR A 96 17.907 15.393 2.907 1.00 15.75 N ATOM 1495 CA THR A 96 17.084 15.254 1.679 1.00 17.89 C ATOM 1496 C THR A 96 16.896 16.647 1.082 1.00 14.96 C ATOM 1497 O THR A 96 17.070 16.855 -0.100 1.00 17.84 O ATOM 1498 CB THR A 96 15.719 14.639 2.021 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.778 13.233 1.827 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.625 15.230 1.121 1.00 28.03 C ATOM 0 H THR A 96 17.439 15.144 3.779 1.00 15.75 H new ATOM 0 HA THR A 96 17.580 14.597 0.964 1.00 17.89 H new ATOM 0 HB THR A 96 15.480 14.864 3.060 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.909 12.836 2.046 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.664 14.784 1.376 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.575 16.309 1.269 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.858 15.018 0.078 1.00 28.03 H new ATOM 1508 N ARG A 97 16.550 17.607 1.902 1.00 12.39 N ATOM 1509 CA ARG A 97 16.357 18.990 1.385 1.00 13.82 C ATOM 1510 C ARG A 97 17.673 19.445 0.760 1.00 14.98 C ATOM 1511 O ARG A 97 17.697 20.153 -0.225 1.00 16.48 O ATOM 1512 CB ARG A 97 15.969 19.922 2.547 1.00 18.70 C ATOM 1513 CG ARG A 97 14.821 20.855 2.132 1.00 27.27 C ATOM 1514 CD ARG A 97 14.116 21.385 3.385 1.00 36.05 C ATOM 1515 NE ARG A 97 13.179 22.478 3.008 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.234 22.839 3.833 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.097 22.223 4.974 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.422 23.809 3.514 1.00 40.96 N ATOM 0 H ARG A 97 16.394 17.491 2.903 1.00 12.39 H new ATOM 0 HA ARG A 97 15.562 19.017 0.640 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.669 19.329 3.411 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.833 20.513 2.851 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.208 21.685 1.541 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.112 20.318 1.502 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.571 20.579 3.876 1.00 36.05 H new ATOM 0 HD3 ARG A 97 14.852 21.754 4.100 1.00 36.05 H new ATOM 0 HE ARG A 97 13.275 22.944 2.106 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.728 21.460 5.221 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.359 22.504 5.620 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.525 24.287 2.619 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.684 24.090 4.160 1.00 40.96 H new ATOM 1532 N LEU A 98 18.769 19.017 1.316 1.00 12.44 N ATOM 1533 CA LEU A 98 20.089 19.385 0.748 1.00 12.45 C ATOM 1534 C LEU A 98 20.268 18.654 -0.587 1.00 14.25 C ATOM 1535 O LEU A 98 20.794 19.188 -1.543 1.00 12.19 O ATOM 1536 CB LEU A 98 21.191 18.933 1.713 1.00 13.23 C ATOM 1537 CG LEU A 98 21.403 19.973 2.818 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.185 20.005 3.741 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.640 19.591 3.635 1.00 15.05 C ATOM 0 H LEU A 98 18.806 18.424 2.145 1.00 12.44 H new ATOM 0 HA LEU A 98 20.146 20.463 0.599 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.923 17.974 2.156 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.121 18.782 1.165 1.00 13.23 H new ATOM 0 HG LEU A 98 21.541 20.956 2.367 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.342 20.746 4.525 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.298 20.268 3.164 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.045 19.023 4.193 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.797 20.327 4.423 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.492 18.608 4.081 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.513 19.566 2.983 1.00 15.05 H new ATOM 1551 N LYS A 99 19.855 17.416 -0.631 1.00 0.00 N ATOM 1552 CA LYS A 99 20.010 16.595 -1.866 1.00 0.00 C ATOM 1553 C LYS A 99 19.151 17.122 -3.024 1.00 0.00 C ATOM 1554 O LYS A 99 19.640 17.314 -4.120 1.00 0.00 O ATOM 1555 CB LYS A 99 19.604 15.152 -1.558 1.00 0.00 C ATOM 1556 CG LYS A 99 20.025 14.245 -2.716 1.00 0.00 C ATOM 1557 CD LYS A 99 19.601 12.804 -2.421 1.00 0.00 C ATOM 1558 CE LYS A 99 19.816 11.943 -3.669 1.00 0.00 C ATOM 1559 NZ LYS A 99 19.056 12.524 -4.811 1.00 0.00 N ATOM 0 H LYS A 99 19.410 16.932 0.149 1.00 0.00 H new ATOM 0 HA LYS A 99 21.054 16.650 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 99 20.075 14.820 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.526 15.091 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.566 14.587 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.105 14.295 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.180 12.407 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.553 12.776 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.877 11.895 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.485 10.922 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.799 11.768 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.192 12.982 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.646 13.228 -5.298 1.00 0.00 H new ATOM 1573 N GLN A 100 17.874 17.318 -2.819 1.00 18.17 N ATOM 1574 CA GLN A 100 17.013 17.781 -3.950 1.00 18.02 C ATOM 1575 C GLN A 100 17.637 18.992 -4.653 1.00 18.05 C ATOM 1576 O GLN A 100 17.447 19.179 -5.838 1.00 19.19 O ATOM 1577 CB GLN A 100 15.600 18.130 -3.457 1.00 20.45 C ATOM 1578 CG GLN A 100 15.629 18.550 -1.988 1.00 29.25 C ATOM 1579 CD GLN A 100 14.470 19.509 -1.713 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.501 20.653 -2.120 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.438 19.083 -1.038 1.00 38.64 N ATOM 0 H GLN A 100 17.394 17.180 -1.930 1.00 18.17 H new ATOM 0 HA GLN A 100 16.940 16.962 -4.666 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.187 18.936 -4.063 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.943 17.269 -3.581 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.550 17.673 -1.346 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.578 19.032 -1.754 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.413 18.122 -0.697 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.656 19.711 -0.852 1.00 38.64 H new ATOM 1590 N ILE A 101 18.391 19.805 -3.961 1.00 0.00 N ATOM 1591 CA ILE A 101 19.020 20.977 -4.642 1.00 0.00 C ATOM 1592 C ILE A 101 20.494 20.669 -4.903 1.00 0.00 C ATOM 1593 O ILE A 101 21.114 21.243 -5.776 1.00 0.00 O ATOM 1594 CB ILE A 101 18.910 22.231 -3.771 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.485 21.946 -2.385 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.445 22.655 -3.641 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.409 23.215 -1.533 1.00 0.00 C ATOM 0 H ILE A 101 18.597 19.712 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 101 18.500 21.161 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 101 19.473 23.038 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.929 21.140 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.519 21.613 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.378 23.548 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.039 22.870 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.872 21.849 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.819 23.014 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.985 24.008 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.369 23.528 -1.438 1.00 0.00 H new ATOM 1609 N GLY A 102 21.054 19.751 -4.164 1.00 11.15 N ATOM 1610 CA GLY A 102 22.486 19.384 -4.374 1.00 12.21 C ATOM 1611 C GLY A 102 23.392 20.255 -3.504 1.00 14.73 C ATOM 1612 O GLY A 102 24.376 20.794 -3.966 1.00 18.54 O ATOM 0 H GLY A 102 20.581 19.237 -3.421 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.638 18.333 -4.130 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.750 19.509 -5.424 1.00 12.21 H new ATOM 1616 N ALA A 103 23.072 20.398 -2.250 1.00 10.84 N ATOM 1617 CA ALA A 103 23.925 21.233 -1.352 1.00 9.88 C ATOM 1618 C ALA A 103 24.976 20.356 -0.663 1.00 9.21 C ATOM 1619 O ALA A 103 25.931 20.847 -0.095 1.00 7.47 O ATOM 1620 CB ALA A 103 23.051 21.900 -0.288 1.00 4.30 C ATOM 0 H ALA A 103 22.258 19.974 -1.805 1.00 10.84 H new ATOM 0 HA ALA A 103 24.426 21.996 -1.949 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.675 22.509 0.366 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.308 22.533 -0.772 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.547 21.134 0.301 1.00 4.30 H new ATOM 1626 N LEU A 104 24.800 19.065 -0.698 1.00 0.00 N ATOM 1627 CA LEU A 104 25.776 18.149 -0.033 1.00 0.00 C ATOM 1628 C LEU A 104 26.821 17.660 -1.038 1.00 0.00 C ATOM 1629 O LEU A 104 26.776 17.979 -2.209 1.00 0.00 O ATOM 1630 CB LEU A 104 25.028 16.945 0.559 1.00 0.00 C ATOM 1631 CG LEU A 104 24.630 15.952 -0.543 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.790 14.828 0.068 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.802 16.666 -1.615 1.00 0.00 C ATOM 0 H LEU A 104 24.019 18.600 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 104 26.284 18.694 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.659 16.445 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.137 17.288 1.085 1.00 0.00 H new ATOM 0 HG LEU A 104 25.532 15.541 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.506 14.121 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.373 14.312 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.892 15.249 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.524 15.955 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.901 17.080 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.391 17.471 -2.053 1.00 0.00 H new ATOM 1645 N GLN A 105 27.765 16.883 -0.577 1.00 0.00 N ATOM 1646 CA GLN A 105 28.825 16.360 -1.485 1.00 0.00 C ATOM 1647 C GLN A 105 28.270 15.197 -2.311 1.00 0.00 C ATOM 1648 O GLN A 105 27.608 15.462 -3.302 1.00 0.00 O ATOM 1649 CB GLN A 105 30.005 15.865 -0.646 1.00 0.00 C ATOM 1650 CG GLN A 105 30.705 17.058 0.007 1.00 0.00 C ATOM 1651 CD GLN A 105 31.979 16.583 0.708 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.338 15.425 0.623 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.684 17.433 1.403 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.514 14.061 -1.939 1.00 0.00 O ATOM 0 H GLN A 105 27.847 16.587 0.396 1.00 0.00 H new ATOM 0 HA GLN A 105 29.153 17.154 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.655 15.172 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.707 15.318 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.950 17.806 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.039 17.535 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.384 18.405 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.535 17.125 1.874 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.992 27.271 19.328 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.642 28.525 18.601 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.171 28.193 17.182 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.597 27.175 16.660 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.396 28.965 16.640 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.881 29.417 18.532 1.00 0.00 C HETATM 1670 CG1 GSH A 106 16.311 29.815 19.950 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.435 31.338 20.064 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.934 32.002 19.177 1.00 0.00 O HETATM 1673 N2 GSH A 106 16.048 31.886 21.182 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.312 33.330 21.438 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.571 34.207 20.421 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.845 34.162 19.239 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.820 33.571 21.337 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.690 32.041 21.769 1.00 0.00 S HETATM 1679 N3 GSH A 106 14.838 35.176 20.906 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.286 36.233 20.006 1.00 0.00 C HETATM 1681 C3 GSH A 106 13.812 37.419 20.850 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.246 37.183 21.905 1.00 0.00 O HETATM 1683 O32 GSH A 106 14.070 38.544 20.453 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.325 27.316 20.291 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.898 26.368 18.862 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.583 29.448 20.674 1.00 0.00 H new HETATM 0 HG12 GSH A 106 17.265 29.347 20.192 1.00 0.00 H new HETATM 0 HB23 GSH A 106 18.085 33.883 20.327 1.00 0.00 H new HETATM 0 HB22 GSH A 106 18.119 34.377 22.008 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.693 28.890 18.030 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.667 30.309 17.943 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.048 36.558 19.297 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.457 35.833 19.422 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.642 35.210 21.906 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.564 31.325 21.883 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.953 33.595 22.433 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.839 29.041 19.128 1.00 0.00 H new