USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc= -0.0197 K(o=-0.02,f=-2.5!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 33 SER OG : rot 29:sc= -1.94! USER MOD Set 2.2: A 34 GLN : amide:sc= -0.0609 X(o=-2,f=-2) USER MOD Single : A 7 SER OG : rot 91:sc= 0.228 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.392) USER MOD Single : A 10 GLN : amide:sc= -4.49! C(o=-4.5!,f=-9.1!) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0.179 (180deg=0.176) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -3:sc= 0.424 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 73:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= -7.92! C(o=-7.9!,f=-7.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.728 USER MOD Single : A 50 THR OG1 : rot -11:sc= 0.145 USER MOD Single : A 51 ASN : amide:sc= -3.05! C(o=-3!,f=-5.5!) USER MOD Single : A 52 HIS : no HD1:sc= -3.01 X(o=-3,f=-3.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 54 ASN : amide:sc= -5.08! C(o=-5.1!,f=-0.96!) USER MOD Single : A 57 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 61 GLN : amide:sc= -6.23! C(o=-6.2!,f=-3!) USER MOD Single : A 62 GLN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 64 THR OG1 : rot -100:sc= -3.18! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -100:sc= -0.742 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 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.79 K(o=-3.8,f=-7.9!) USER MOD Single : A 90 GLN : amide:sc= -10.2! C(o=-10!,f=-16!) USER MOD Single : A 91 SER OG : rot 105:sc= 0.979 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.74 X(o=-1.7,f=-2.2!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.278 43.200 0.005 1.00 0.00 N ATOM 31 CA GLU A 3 18.419 42.669 -0.786 1.00 0.00 C ATOM 32 C GLU A 3 19.488 42.042 0.114 1.00 0.00 C ATOM 33 O GLU A 3 20.276 41.239 -0.338 1.00 0.00 O ATOM 34 CB GLU A 3 19.045 43.830 -1.560 1.00 0.00 C ATOM 35 CG GLU A 3 19.448 44.916 -0.562 1.00 0.00 C ATOM 36 CD GLU A 3 19.899 46.179 -1.296 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.119 46.702 -2.075 1.00 0.00 O ATOM 38 OE2 GLU A 3 21.016 46.605 -1.057 1.00 0.00 O ATOM 0 HA GLU A 3 18.047 41.895 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.916 43.487 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.336 44.227 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.606 45.149 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.254 44.551 0.075 1.00 0.00 H new ATOM 45 N PHE A 4 19.563 42.423 1.360 1.00 11.75 N ATOM 46 CA PHE A 4 20.622 41.872 2.255 1.00 10.29 C ATOM 47 C PHE A 4 20.569 40.343 2.311 1.00 10.97 C ATOM 48 O PHE A 4 21.523 39.669 1.972 1.00 7.53 O ATOM 49 CB PHE A 4 20.405 42.416 3.682 1.00 11.72 C ATOM 50 CG PHE A 4 21.440 43.481 4.006 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.655 44.530 3.110 1.00 17.80 C ATOM 52 CD2 PHE A 4 22.192 43.417 5.197 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.613 45.513 3.386 1.00 18.59 C ATOM 54 CE2 PHE A 4 23.153 44.409 5.472 1.00 19.72 C ATOM 55 CZ PHE A 4 23.361 45.454 4.564 1.00 20.03 C ATOM 0 H PHE A 4 18.934 43.095 1.799 1.00 11.75 H new ATOM 0 HA PHE A 4 21.591 42.175 1.859 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.403 42.835 3.770 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.474 41.601 4.403 1.00 11.72 H new ATOM 0 HD1 PHE A 4 21.079 44.583 2.198 1.00 17.80 H new ATOM 0 HD2 PHE A 4 22.032 42.610 5.896 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.774 46.319 2.686 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.730 44.364 6.384 1.00 19.72 H new ATOM 0 HZ PHE A 4 24.099 46.214 4.774 1.00 20.03 H new ATOM 65 N VAL A 5 19.487 39.794 2.780 1.00 10.96 N ATOM 66 CA VAL A 5 19.401 38.315 2.909 1.00 12.03 C ATOM 67 C VAL A 5 19.215 37.665 1.535 1.00 12.91 C ATOM 68 O VAL A 5 19.778 36.625 1.254 1.00 10.57 O ATOM 69 CB VAL A 5 18.222 37.985 3.822 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.199 38.986 4.982 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.925 38.101 3.024 1.00 9.23 C ATOM 0 H VAL A 5 18.657 40.306 3.080 1.00 10.96 H new ATOM 0 HA VAL A 5 20.324 37.924 3.336 1.00 12.03 H new ATOM 0 HB VAL A 5 18.321 36.972 4.211 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.361 38.760 5.641 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.131 38.915 5.543 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.089 39.997 4.588 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.078 37.867 3.669 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.821 39.117 2.644 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.948 37.402 2.188 1.00 9.23 H new ATOM 81 N ASN A 6 18.431 38.258 0.679 1.00 13.95 N ATOM 82 CA ASN A 6 18.222 37.651 -0.661 1.00 13.93 C ATOM 83 C ASN A 6 19.579 37.422 -1.319 1.00 14.98 C ATOM 84 O ASN A 6 19.793 36.433 -1.992 1.00 13.88 O ATOM 85 CB ASN A 6 17.380 38.586 -1.531 1.00 19.23 C ATOM 86 CG ASN A 6 15.979 38.719 -0.932 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.646 38.041 0.018 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.136 39.569 -1.454 1.00 26.59 N ATOM 0 H ASN A 6 17.930 39.130 0.849 1.00 13.95 H new ATOM 0 HA ASN A 6 17.698 36.701 -0.554 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.854 39.565 -1.595 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.317 38.196 -2.547 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.198 39.663 -1.063 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.415 40.139 -2.252 1.00 26.59 H new ATOM 95 N SER A 7 20.502 38.322 -1.122 1.00 0.00 N ATOM 96 CA SER A 7 21.849 38.148 -1.727 1.00 0.00 C ATOM 97 C SER A 7 22.616 37.076 -0.948 1.00 0.00 C ATOM 98 O SER A 7 23.661 36.618 -1.367 1.00 0.00 O ATOM 99 CB SER A 7 22.607 39.472 -1.660 1.00 0.00 C ATOM 100 OG SER A 7 22.042 40.380 -2.596 1.00 0.00 O ATOM 0 H SER A 7 20.380 39.170 -0.568 1.00 0.00 H new ATOM 0 HA SER A 7 21.750 37.840 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.551 39.887 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.662 39.313 -1.881 1.00 0.00 H new ATOM 0 HG SER A 7 21.335 40.901 -2.161 1.00 0.00 H new ATOM 106 N LYS A 8 22.107 36.677 0.188 1.00 13.50 N ATOM 107 CA LYS A 8 22.808 35.639 1.001 1.00 11.83 C ATOM 108 C LYS A 8 22.207 34.260 0.707 1.00 12.94 C ATOM 109 O LYS A 8 22.916 33.321 0.405 1.00 11.22 O ATOM 110 CB LYS A 8 22.653 35.969 2.489 1.00 13.35 C ATOM 111 CG LYS A 8 23.483 37.215 2.820 1.00 9.72 C ATOM 112 CD LYS A 8 23.278 37.599 4.290 1.00 17.72 C ATOM 113 CE LYS A 8 23.676 39.062 4.503 1.00 15.70 C ATOM 114 NZ LYS A 8 25.037 39.295 3.944 1.00 22.87 N ATOM 0 H LYS A 8 21.236 37.025 0.588 1.00 13.50 H new ATOM 0 HA LYS A 8 23.867 35.627 0.743 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.604 36.143 2.727 1.00 13.35 H new ATOM 0 HB3 LYS A 8 22.983 35.126 3.097 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.539 37.022 2.629 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.188 38.042 2.174 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.236 37.451 4.572 1.00 17.72 H new ATOM 0 HD3 LYS A 8 23.877 36.952 4.931 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.955 39.720 4.018 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.662 39.302 5.566 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.438 40.162 4.356 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.650 38.487 4.174 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.975 39.400 2.911 1.00 22.87 H new ATOM 128 N ILE A 9 20.909 34.126 0.786 1.00 11.05 N ATOM 129 CA ILE A 9 20.285 32.800 0.501 1.00 13.61 C ATOM 130 C ILE A 9 20.202 32.586 -1.010 1.00 12.23 C ATOM 131 O ILE A 9 19.788 33.453 -1.753 1.00 12.72 O ATOM 132 CB ILE A 9 18.875 32.735 1.094 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.060 33.932 0.590 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.964 32.746 2.624 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.051 34.378 1.653 1.00 25.19 C ATOM 0 H ILE A 9 20.258 34.871 1.034 1.00 11.05 H new ATOM 0 HA ILE A 9 20.900 32.022 0.954 1.00 13.61 H new ATOM 0 HB ILE A 9 18.380 31.816 0.782 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.728 34.758 0.345 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.536 33.663 -0.327 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.961 32.700 3.047 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.540 31.884 2.961 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.455 33.662 2.953 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.481 35.228 1.279 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.371 33.556 1.877 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.582 34.667 2.560 1.00 25.19 H new ATOM 147 N GLN A 10 20.587 31.426 -1.458 1.00 11.13 N ATOM 148 CA GLN A 10 20.539 31.111 -2.912 1.00 10.86 C ATOM 149 C GLN A 10 20.169 29.630 -3.065 1.00 10.00 C ATOM 150 O GLN A 10 20.468 28.841 -2.191 1.00 10.42 O ATOM 151 CB GLN A 10 21.927 31.354 -3.532 1.00 14.27 C ATOM 152 CG GLN A 10 21.963 32.706 -4.249 1.00 22.05 C ATOM 153 CD GLN A 10 21.841 33.836 -3.227 1.00 30.84 C ATOM 154 OE1 GLN A 10 22.508 33.826 -2.211 1.00 32.99 O ATOM 155 NE2 GLN A 10 21.010 34.816 -3.453 1.00 34.61 N ATOM 0 H GLN A 10 20.938 30.671 -0.869 1.00 11.13 H new ATOM 0 HA GLN A 10 19.806 31.742 -3.414 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.689 31.328 -2.754 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.163 30.556 -4.236 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.893 32.807 -4.808 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.149 32.767 -4.971 1.00 22.05 H new ATOM 0 HE21 GLN A 10 20.451 34.824 -4.306 1.00 34.61 H new ATOM 0 HE22 GLN A 10 20.920 35.574 -2.777 1.00 34.61 H new ATOM 164 N PRO A 11 19.545 29.278 -4.164 1.00 6.53 N ATOM 165 CA PRO A 11 19.161 27.882 -4.408 1.00 7.75 C ATOM 166 C PRO A 11 20.401 26.995 -4.314 1.00 6.33 C ATOM 167 O PRO A 11 21.416 27.261 -4.928 1.00 9.49 O ATOM 168 CB PRO A 11 18.573 27.870 -5.827 1.00 8.32 C ATOM 169 CG PRO A 11 18.578 29.332 -6.343 1.00 7.94 C ATOM 170 CD PRO A 11 19.179 30.218 -5.239 1.00 11.72 C ATOM 0 HA PRO A 11 18.441 27.504 -3.682 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.164 27.230 -6.482 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.559 27.469 -5.819 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.164 29.412 -7.258 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.565 29.656 -6.584 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.050 30.765 -5.600 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.460 30.959 -4.890 1.00 11.72 H new ATOM 178 N GLY A 12 20.333 25.951 -3.545 1.00 5.64 N ATOM 179 CA GLY A 12 21.511 25.059 -3.408 1.00 8.39 C ATOM 180 C GLY A 12 22.573 25.750 -2.551 1.00 7.67 C ATOM 181 O GLY A 12 23.743 25.429 -2.619 1.00 10.24 O ATOM 0 H GLY A 12 19.513 25.676 -3.005 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.215 24.115 -2.950 1.00 8.39 H new ATOM 0 HA3 GLY A 12 21.918 24.822 -4.391 1.00 8.39 H new ATOM 185 N LYS A 13 22.171 26.692 -1.737 1.00 9.66 N ATOM 186 CA LYS A 13 23.151 27.402 -0.863 1.00 10.29 C ATOM 187 C LYS A 13 22.632 27.395 0.572 1.00 10.20 C ATOM 188 O LYS A 13 21.504 27.763 0.836 1.00 6.89 O ATOM 189 CB LYS A 13 23.324 28.853 -1.328 1.00 9.77 C ATOM 190 CG LYS A 13 24.573 29.442 -0.667 1.00 10.63 C ATOM 191 CD LYS A 13 24.653 30.944 -0.948 1.00 12.04 C ATOM 192 CE LYS A 13 25.772 31.561 -0.106 1.00 19.12 C ATOM 193 NZ LYS A 13 25.891 33.013 -0.420 1.00 25.36 N ATOM 0 H LYS A 13 21.204 27.000 -1.640 1.00 9.66 H new ATOM 0 HA LYS A 13 24.114 26.894 -0.919 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.418 28.892 -2.413 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.445 29.441 -1.063 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.543 29.266 0.408 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.465 28.944 -1.047 1.00 10.63 H new ATOM 0 HD2 LYS A 13 24.843 31.117 -2.007 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.701 31.420 -0.713 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.561 31.424 0.955 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.716 31.056 -0.311 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.605 33.445 0.201 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.178 33.131 -1.413 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 24.973 33.478 -0.268 1.00 25.36 H new ATOM 207 N VAL A 14 23.446 26.974 1.501 1.00 10.89 N ATOM 208 CA VAL A 14 23.005 26.936 2.917 1.00 9.99 C ATOM 209 C VAL A 14 23.562 28.153 3.651 1.00 5.01 C ATOM 210 O VAL A 14 24.741 28.443 3.592 1.00 6.68 O ATOM 211 CB VAL A 14 23.518 25.655 3.575 1.00 7.84 C ATOM 212 CG1 VAL A 14 23.097 25.630 5.046 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.921 24.443 2.854 1.00 5.86 C ATOM 0 H VAL A 14 24.400 26.654 1.336 1.00 10.89 H new ATOM 0 HA VAL A 14 21.916 26.952 2.964 1.00 9.99 H new ATOM 0 HB VAL A 14 24.606 25.622 3.510 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.463 24.716 5.514 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.518 26.494 5.560 1.00 9.33 H new ATOM 0 HG13 VAL A 14 22.010 25.661 5.114 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.284 23.527 3.320 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.834 24.478 2.922 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.220 24.460 1.806 1.00 5.86 H new ATOM 223 N VAL A 15 22.719 28.864 4.344 1.00 3.11 N ATOM 224 CA VAL A 15 23.181 30.065 5.091 1.00 10.10 C ATOM 225 C VAL A 15 22.460 30.100 6.439 1.00 9.35 C ATOM 226 O VAL A 15 21.309 29.727 6.545 1.00 11.00 O ATOM 227 CB VAL A 15 22.887 31.328 4.259 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.717 32.118 4.855 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.133 32.219 4.236 1.00 10.96 C ATOM 0 H VAL A 15 21.722 28.663 4.425 1.00 3.11 H new ATOM 0 HA VAL A 15 24.256 30.026 5.268 1.00 10.10 H new ATOM 0 HB VAL A 15 22.621 31.021 3.248 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.530 33.004 4.249 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.824 31.492 4.868 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.963 32.420 5.873 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.929 33.114 3.648 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.394 32.505 5.255 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.963 31.672 3.789 1.00 10.96 H new ATOM 239 N VAL A 16 23.143 30.507 7.474 1.00 8.87 N ATOM 240 CA VAL A 16 22.519 30.523 8.825 1.00 5.41 C ATOM 241 C VAL A 16 22.594 31.919 9.449 1.00 6.62 C ATOM 242 O VAL A 16 23.658 32.480 9.620 1.00 8.94 O ATOM 243 CB VAL A 16 23.277 29.533 9.715 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.600 29.420 11.091 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.298 28.161 9.033 1.00 5.31 C ATOM 0 H VAL A 16 24.110 30.830 7.441 1.00 8.87 H new ATOM 0 HA VAL A 16 21.469 30.245 8.737 1.00 5.41 H new ATOM 0 HB VAL A 16 24.297 29.890 9.860 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.151 28.713 11.711 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.593 30.397 11.574 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.575 29.070 10.965 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.836 27.451 9.661 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.276 27.813 8.885 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.797 28.242 8.067 1.00 5.31 H new ATOM 255 N PHE A 17 21.467 32.467 9.822 1.00 5.51 N ATOM 256 CA PHE A 17 21.461 33.805 10.473 1.00 5.80 C ATOM 257 C PHE A 17 21.556 33.584 11.984 1.00 7.23 C ATOM 258 O PHE A 17 20.706 32.951 12.579 1.00 5.39 O ATOM 259 CB PHE A 17 20.164 34.532 10.121 1.00 5.73 C ATOM 260 CG PHE A 17 20.190 34.913 8.660 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.898 33.955 7.682 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.511 36.222 8.282 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.927 34.306 6.328 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.542 36.573 6.928 1.00 5.88 C ATOM 265 CZ PHE A 17 20.249 35.615 5.950 1.00 5.73 C ATOM 0 H PHE A 17 20.548 32.041 9.702 1.00 5.51 H new ATOM 0 HA PHE A 17 22.299 34.413 10.131 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.306 33.891 10.327 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.053 35.423 10.740 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.650 32.945 7.973 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.735 36.962 9.036 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.701 33.567 5.574 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.792 37.583 6.637 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.271 35.886 4.905 1.00 5.73 H new ATOM 275 N ILE A 18 22.607 34.056 12.601 1.00 8.64 N ATOM 276 CA ILE A 18 22.785 33.824 14.066 1.00 6.83 C ATOM 277 C ILE A 18 23.101 35.122 14.804 1.00 10.62 C ATOM 278 O ILE A 18 23.077 36.208 14.258 1.00 6.74 O ATOM 279 CB ILE A 18 23.967 32.868 14.264 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.178 33.400 13.485 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.604 31.463 13.758 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.453 32.719 13.989 1.00 8.36 C ATOM 0 H ILE A 18 23.351 34.592 12.154 1.00 8.64 H new ATOM 0 HA ILE A 18 21.858 33.411 14.463 1.00 6.83 H new ATOM 0 HB ILE A 18 24.207 32.807 15.325 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.049 33.210 12.419 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.257 34.480 13.609 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.452 30.793 13.904 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.745 31.087 14.313 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.358 31.511 12.697 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.311 33.098 13.435 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.584 32.931 15.050 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.373 31.642 13.842 1.00 8.36 H new ATOM 294 N LYS A 19 23.418 34.976 16.055 1.00 12.12 N ATOM 295 CA LYS A 19 23.779 36.123 16.921 1.00 15.62 C ATOM 296 C LYS A 19 24.757 35.569 17.963 1.00 16.36 C ATOM 297 O LYS A 19 24.334 35.154 19.021 1.00 13.35 O ATOM 298 CB LYS A 19 22.522 36.649 17.638 1.00 18.25 C ATOM 299 CG LYS A 19 21.801 37.695 16.768 1.00 25.24 C ATOM 300 CD LYS A 19 21.092 38.720 17.662 1.00 30.64 C ATOM 301 CE LYS A 19 20.002 38.027 18.483 1.00 31.75 C ATOM 302 NZ LYS A 19 19.347 39.022 19.380 1.00 38.73 N ATOM 0 H LYS A 19 23.442 34.073 16.529 1.00 12.12 H new ATOM 0 HA LYS A 19 24.213 36.940 16.344 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.847 35.821 17.855 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.801 37.093 18.594 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.519 38.199 16.121 1.00 25.24 H new ATOM 0 HG3 LYS A 19 21.077 37.203 16.119 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.813 39.197 18.326 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.653 39.508 17.050 1.00 30.64 H new ATOM 0 HE2 LYS A 19 19.263 37.577 17.820 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.435 37.219 19.073 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.606 38.551 19.938 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.056 39.431 20.021 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.921 39.778 18.807 1.00 38.73 H new ATOM 316 N PRO A 20 26.027 35.523 17.625 1.00 17.46 N ATOM 317 CA PRO A 20 27.042 34.954 18.526 1.00 20.12 C ATOM 318 C PRO A 20 26.854 35.473 19.950 1.00 24.12 C ATOM 319 O PRO A 20 27.512 36.393 20.393 1.00 24.58 O ATOM 320 CB PRO A 20 28.383 35.369 17.911 1.00 20.63 C ATOM 321 CG PRO A 20 28.086 35.848 16.466 1.00 18.08 C ATOM 322 CD PRO A 20 26.562 36.045 16.351 1.00 17.14 C ATOM 0 HA PRO A 20 26.974 33.870 18.614 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.846 36.165 18.494 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.081 34.532 17.905 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.611 36.780 16.255 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.434 35.114 15.739 1.00 18.08 H new ATOM 0 HD2 PRO A 20 26.306 37.096 16.213 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.155 35.503 15.497 1.00 17.14 H new ATOM 330 N THR A 21 25.944 34.867 20.662 1.00 24.78 N ATOM 331 CA THR A 21 25.664 35.277 22.062 1.00 27.36 C ATOM 332 C THR A 21 24.671 34.279 22.662 1.00 24.99 C ATOM 333 O THR A 21 24.723 33.956 23.832 1.00 26.49 O ATOM 334 CB THR A 21 25.048 36.680 22.072 1.00 28.64 C ATOM 335 OG1 THR A 21 26.017 37.626 21.645 1.00 30.99 O ATOM 336 CG2 THR A 21 24.583 37.029 23.486 1.00 34.82 C ATOM 0 H THR A 21 25.374 34.092 20.324 1.00 24.78 H new ATOM 0 HA THR A 21 26.586 35.290 22.643 1.00 27.36 H new ATOM 0 HB THR A 21 24.194 36.703 21.396 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.873 37.173 21.495 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.146 38.027 23.489 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.837 36.305 23.813 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.435 37.004 24.166 1.00 34.82 H new ATOM 344 N CYS A 22 23.764 33.788 21.855 1.00 21.46 N ATOM 345 CA CYS A 22 22.756 32.808 22.351 1.00 17.23 C ATOM 346 C CYS A 22 23.223 31.377 21.978 1.00 14.71 C ATOM 347 O CYS A 22 23.525 31.124 20.829 1.00 13.71 O ATOM 348 CB CYS A 22 21.415 33.126 21.679 1.00 15.71 C ATOM 349 SG CYS A 22 20.073 33.008 22.888 1.00 9.78 S ATOM 0 H CYS A 22 23.680 34.027 20.867 1.00 21.46 H new ATOM 0 HA CYS A 22 22.646 32.870 23.434 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.442 34.128 21.250 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.237 32.432 20.857 1.00 15.71 H new ATOM 0 HG CYS A 22 18.942 33.282 22.309 1.00 9.78 H new ATOM 354 N PRO A 23 23.288 30.485 22.952 1.00 13.86 N ATOM 355 CA PRO A 23 23.742 29.092 22.719 1.00 13.47 C ATOM 356 C PRO A 23 22.948 28.376 21.612 1.00 8.59 C ATOM 357 O PRO A 23 23.425 27.420 21.033 1.00 10.79 O ATOM 358 CB PRO A 23 23.541 28.384 24.063 1.00 11.94 C ATOM 359 CG PRO A 23 23.152 29.455 25.103 1.00 7.24 C ATOM 360 CD PRO A 23 22.926 30.779 24.353 1.00 12.58 C ATOM 0 HA PRO A 23 24.777 29.079 22.377 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.761 27.627 23.984 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.454 27.871 24.365 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.249 29.159 25.636 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.940 29.568 25.848 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.890 31.107 24.433 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.546 31.577 24.763 1.00 12.58 H new ATOM 368 N TYR A 24 21.750 28.799 21.309 1.00 0.00 N ATOM 369 CA TYR A 24 20.980 28.087 20.243 1.00 0.00 C ATOM 370 C TYR A 24 21.648 28.340 18.897 1.00 0.00 C ATOM 371 O TYR A 24 21.807 27.444 18.092 1.00 0.00 O ATOM 372 CB TYR A 24 19.542 28.605 20.197 1.00 0.00 C ATOM 373 CG TYR A 24 18.711 27.893 21.234 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.725 28.336 22.560 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.919 26.798 20.867 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.947 27.686 23.522 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.141 26.145 21.830 1.00 0.00 C ATOM 378 CZ TYR A 24 17.155 26.590 23.159 1.00 0.00 C ATOM 379 OH TYR A 24 16.388 25.951 24.109 1.00 0.00 O ATOM 0 H TYR A 24 21.276 29.591 21.743 1.00 0.00 H new ATOM 0 HA TYR A 24 20.966 27.019 20.461 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.526 29.679 20.380 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.119 28.444 19.205 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.337 29.180 22.841 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.909 26.458 19.842 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.957 28.029 24.546 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.531 25.299 21.549 1.00 0.00 H new ATOM 0 HH TYR A 24 15.898 25.212 23.691 1.00 0.00 H new ATOM 389 N SER A 25 22.059 29.547 18.653 1.00 0.00 N ATOM 390 CA SER A 25 22.734 29.843 17.366 1.00 0.00 C ATOM 391 C SER A 25 23.982 28.972 17.286 1.00 0.00 C ATOM 392 O SER A 25 24.344 28.469 16.241 1.00 0.00 O ATOM 393 CB SER A 25 23.136 31.320 17.340 1.00 0.00 C ATOM 394 OG SER A 25 22.818 31.912 18.593 1.00 0.00 O ATOM 0 H SER A 25 21.957 30.340 19.287 1.00 0.00 H new ATOM 0 HA SER A 25 22.073 29.639 16.524 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.203 31.416 17.139 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.613 31.838 16.536 1.00 0.00 H new ATOM 0 HG SER A 25 23.449 31.597 19.273 1.00 0.00 H new ATOM 400 N ARG A 26 24.632 28.783 18.396 1.00 16.21 N ATOM 401 CA ARG A 26 25.852 27.935 18.413 1.00 15.67 C ATOM 402 C ARG A 26 25.478 26.505 18.002 1.00 13.70 C ATOM 403 O ARG A 26 26.186 25.861 17.255 1.00 12.41 O ATOM 404 CB ARG A 26 26.443 27.929 19.831 1.00 22.04 C ATOM 405 CG ARG A 26 27.465 29.067 19.980 1.00 31.64 C ATOM 406 CD ARG A 26 28.824 28.605 19.453 1.00 43.08 C ATOM 407 NE ARG A 26 29.262 27.378 20.195 1.00 52.93 N ATOM 408 CZ ARG A 26 29.389 27.377 21.495 1.00 57.80 C ATOM 409 NH1 ARG A 26 29.291 28.489 22.169 1.00 58.61 N ATOM 410 NH2 ARG A 26 29.659 26.262 22.118 1.00 59.59 N ATOM 0 H ARG A 26 24.370 29.181 19.298 1.00 16.21 H new ATOM 0 HA ARG A 26 26.590 28.331 17.715 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.647 28.046 20.566 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.922 26.970 20.030 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.129 29.946 19.429 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.549 29.360 21.027 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.758 28.393 18.386 1.00 43.08 H new ATOM 0 HD3 ARG A 26 29.561 29.398 19.575 1.00 43.08 H new ATOM 0 HE ARG A 26 29.465 26.525 19.673 1.00 52.93 H new ATOM 0 HH11 ARG A 26 29.114 29.367 21.681 1.00 58.61 H new ATOM 0 HH12 ARG A 26 29.391 28.481 23.184 1.00 58.61 H new ATOM 0 HH21 ARG A 26 29.770 25.397 21.590 1.00 59.59 H new ATOM 0 HH22 ARG A 26 29.759 26.256 23.133 1.00 59.59 H new ATOM 424 N ARG A 27 24.372 26.002 18.486 1.00 0.00 N ATOM 425 CA ARG A 27 23.965 24.614 18.118 1.00 0.00 C ATOM 426 C ARG A 27 23.929 24.480 16.596 1.00 0.00 C ATOM 427 O ARG A 27 24.482 23.557 16.033 1.00 0.00 O ATOM 428 CB ARG A 27 22.577 24.304 18.695 1.00 0.00 C ATOM 429 CG ARG A 27 22.724 23.714 20.099 1.00 0.00 C ATOM 430 CD ARG A 27 21.368 23.727 20.808 1.00 0.00 C ATOM 431 NE ARG A 27 21.449 22.906 22.049 1.00 0.00 N ATOM 432 CZ ARG A 27 20.519 23.004 22.960 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.515 23.818 22.782 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.593 22.288 24.048 1.00 0.00 N ATOM 0 H ARG A 27 23.736 26.490 19.117 1.00 0.00 H new ATOM 0 HA ARG A 27 24.687 23.909 18.529 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.977 25.213 18.733 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.052 23.602 18.048 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.103 22.694 20.037 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.450 24.290 20.672 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.084 24.750 21.054 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.596 23.332 20.147 1.00 0.00 H new ATOM 0 HE ARG A 27 22.232 22.267 22.187 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.457 24.378 21.931 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.788 23.895 23.494 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.378 21.651 24.187 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.866 22.365 24.760 1.00 0.00 H new ATOM 448 N ALA A 28 23.283 25.391 15.923 1.00 0.00 N ATOM 449 CA ALA A 28 23.220 25.299 14.440 1.00 0.00 C ATOM 450 C ALA A 28 24.643 25.312 13.882 1.00 0.00 C ATOM 451 O ALA A 28 24.955 24.633 12.925 1.00 0.00 O ATOM 452 CB ALA A 28 22.440 26.492 13.884 1.00 0.00 C ATOM 0 H ALA A 28 22.799 26.190 16.333 1.00 0.00 H new ATOM 0 HA ALA A 28 22.717 24.377 14.149 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.395 26.423 12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.429 26.487 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.940 27.418 14.168 1.00 0.00 H new ATOM 458 N GLN A 29 25.509 26.079 14.480 1.00 19.83 N ATOM 459 CA GLN A 29 26.915 26.140 14.000 1.00 20.83 C ATOM 460 C GLN A 29 27.632 24.830 14.334 1.00 20.95 C ATOM 461 O GLN A 29 28.388 24.301 13.544 1.00 22.85 O ATOM 462 CB GLN A 29 27.631 27.301 14.700 1.00 21.33 C ATOM 463 CG GLN A 29 27.143 28.647 14.136 1.00 34.02 C ATOM 464 CD GLN A 29 28.319 29.402 13.510 1.00 40.49 C ATOM 465 OE1 GLN A 29 29.040 28.860 12.696 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.547 30.638 13.861 1.00 45.49 N ATOM 0 H GLN A 29 25.302 26.670 15.285 1.00 19.83 H new ATOM 0 HA GLN A 29 26.926 26.291 12.921 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.443 27.259 15.773 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.708 27.210 14.561 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.367 28.479 13.389 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.696 29.245 14.931 1.00 34.02 H new ATOM 0 HE21 GLN A 29 27.942 31.094 14.544 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.330 31.148 13.452 1.00 45.49 H new ATOM 475 N GLU A 30 27.412 24.321 15.511 1.00 22.87 N ATOM 476 CA GLU A 30 28.086 23.059 15.932 1.00 23.32 C ATOM 477 C GLU A 30 27.524 21.851 15.171 1.00 22.32 C ATOM 478 O GLU A 30 28.237 20.914 14.871 1.00 25.42 O ATOM 479 CB GLU A 30 27.860 22.851 17.431 1.00 24.18 C ATOM 480 CG GLU A 30 28.708 23.848 18.224 1.00 32.27 C ATOM 481 CD GLU A 30 28.627 23.512 19.715 1.00 34.97 C ATOM 482 OE1 GLU A 30 28.634 22.336 20.038 1.00 32.92 O ATOM 483 OE2 GLU A 30 28.559 24.437 20.507 1.00 34.69 O ATOM 0 H GLU A 30 26.788 24.728 16.208 1.00 22.87 H new ATOM 0 HA GLU A 30 29.150 23.144 15.710 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.805 22.984 17.671 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.124 21.831 17.710 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.744 23.810 17.887 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.353 24.864 18.049 1.00 32.27 H new ATOM 490 N ILE A 31 26.251 21.843 14.886 1.00 0.00 N ATOM 491 CA ILE A 31 25.654 20.670 14.179 1.00 0.00 C ATOM 492 C ILE A 31 25.956 20.729 12.672 1.00 0.00 C ATOM 493 O ILE A 31 26.520 19.806 12.118 1.00 0.00 O ATOM 494 CB ILE A 31 24.140 20.649 14.444 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.549 19.275 14.077 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.442 21.753 13.649 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.712 18.986 12.579 1.00 0.00 C ATOM 0 H ILE A 31 25.599 22.594 15.110 1.00 0.00 H new ATOM 0 HA ILE A 31 26.096 19.749 14.559 1.00 0.00 H new ATOM 0 HB ILE A 31 23.975 20.828 15.506 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.044 18.496 14.657 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.492 19.247 14.343 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.371 21.723 13.849 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.840 22.723 13.947 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.617 21.601 12.584 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.286 18.010 12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.195 19.753 12.002 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.771 18.990 12.321 1.00 0.00 H new ATOM 509 N LEU A 32 25.595 21.787 11.995 1.00 16.72 N ATOM 510 CA LEU A 32 25.875 21.854 10.534 1.00 15.05 C ATOM 511 C LEU A 32 27.376 21.721 10.286 1.00 15.55 C ATOM 512 O LEU A 32 27.802 21.312 9.224 1.00 17.28 O ATOM 513 CB LEU A 32 25.361 23.184 9.971 1.00 12.57 C ATOM 514 CG LEU A 32 23.932 23.008 9.429 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.136 24.300 9.635 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.991 22.681 7.930 1.00 12.45 C ATOM 0 H LEU A 32 25.122 22.601 12.388 1.00 16.72 H new ATOM 0 HA LEU A 32 25.363 21.034 10.031 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.372 23.947 10.750 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.020 23.531 9.175 1.00 12.57 H new ATOM 0 HG LEU A 32 23.443 22.194 9.964 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.125 24.170 9.249 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.091 24.534 10.699 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.624 25.117 9.104 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.979 22.556 7.545 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.483 23.496 7.399 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.553 21.759 7.781 1.00 12.45 H new ATOM 528 N SER A 33 28.185 22.047 11.251 1.00 16.31 N ATOM 529 CA SER A 33 29.649 21.914 11.044 1.00 18.98 C ATOM 530 C SER A 33 29.971 20.434 10.821 1.00 18.49 C ATOM 531 O SER A 33 31.009 20.082 10.297 1.00 21.34 O ATOM 532 CB SER A 33 30.395 22.427 12.277 1.00 19.20 C ATOM 533 OG SER A 33 29.675 22.064 13.447 1.00 24.11 O ATOM 0 H SER A 33 27.899 22.397 12.166 1.00 16.31 H new ATOM 0 HA SER A 33 29.961 22.500 10.179 1.00 18.98 H new ATOM 0 HB2 SER A 33 31.400 22.006 12.309 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.505 23.510 12.225 1.00 19.20 H new ATOM 0 HG SER A 33 29.182 21.233 13.283 1.00 24.11 H new ATOM 539 N GLN A 34 29.078 19.565 11.224 1.00 20.00 N ATOM 540 CA GLN A 34 29.308 18.103 11.049 1.00 24.71 C ATOM 541 C GLN A 34 28.688 17.627 9.730 1.00 23.33 C ATOM 542 O GLN A 34 28.825 16.481 9.350 1.00 26.27 O ATOM 543 CB GLN A 34 28.657 17.356 12.213 1.00 28.15 C ATOM 544 CG GLN A 34 29.061 18.012 13.536 1.00 37.01 C ATOM 545 CD GLN A 34 30.587 18.042 13.650 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.213 17.021 13.851 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.215 19.180 13.533 1.00 41.20 N ATOM 0 H GLN A 34 28.194 19.810 11.670 1.00 20.00 H new ATOM 0 HA GLN A 34 30.380 17.905 11.029 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.572 17.369 12.105 1.00 28.15 H new ATOM 0 HB3 GLN A 34 28.965 16.311 12.205 1.00 28.15 H new ATOM 0 HG2 GLN A 34 28.663 19.025 13.588 1.00 37.01 H new ATOM 0 HG3 GLN A 34 28.635 17.459 14.373 1.00 37.01 H new ATOM 0 HE21 GLN A 34 30.689 20.038 13.364 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.232 19.212 13.610 1.00 41.20 H new ATOM 556 N LEU A 35 28.005 18.493 9.027 1.00 19.63 N ATOM 557 CA LEU A 35 27.380 18.081 7.739 1.00 15.93 C ATOM 558 C LEU A 35 28.394 18.293 6.600 1.00 13.36 C ATOM 559 O LEU A 35 28.965 19.361 6.493 1.00 16.12 O ATOM 560 CB LEU A 35 26.146 18.957 7.481 1.00 13.69 C ATOM 561 CG LEU A 35 24.935 18.434 8.271 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.730 19.350 8.019 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.587 17.002 7.827 1.00 16.28 C ATOM 0 H LEU A 35 27.854 19.467 9.291 1.00 19.63 H new ATOM 0 HA LEU A 35 27.088 17.032 7.785 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.358 19.987 7.769 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.916 18.965 6.416 1.00 13.69 H new ATOM 0 HG LEU A 35 25.181 18.427 9.333 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.870 18.982 8.578 1.00 11.03 H new ATOM 0 HD12 LEU A 35 23.968 20.362 8.345 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.495 19.358 6.955 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.728 16.644 8.394 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.347 16.999 6.764 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.440 16.348 8.008 1.00 16.28 H new ATOM 575 N PRO A 36 28.598 17.283 5.776 1.00 16.38 N ATOM 576 CA PRO A 36 29.548 17.383 4.653 1.00 17.59 C ATOM 577 C PRO A 36 28.989 18.332 3.590 1.00 19.11 C ATOM 578 O PRO A 36 28.627 17.929 2.503 1.00 21.54 O ATOM 579 CB PRO A 36 29.650 15.955 4.104 1.00 16.71 C ATOM 580 CG PRO A 36 28.466 15.161 4.701 1.00 16.59 C ATOM 581 CD PRO A 36 27.919 15.976 5.884 1.00 15.74 C ATOM 0 HA PRO A 36 30.520 17.774 4.953 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.605 15.955 3.015 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.600 15.500 4.384 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.691 15.005 3.951 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.792 14.175 5.032 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.836 16.085 5.824 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.139 15.492 6.835 1.00 15.74 H new ATOM 589 N ILE A 37 28.913 19.588 3.903 1.00 0.00 N ATOM 590 CA ILE A 37 28.376 20.571 2.922 1.00 0.00 C ATOM 591 C ILE A 37 29.473 20.934 1.920 1.00 0.00 C ATOM 592 O ILE A 37 30.631 21.045 2.269 1.00 0.00 O ATOM 593 CB ILE A 37 27.932 21.833 3.664 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.731 21.499 4.572 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.562 22.923 2.643 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.417 21.635 3.798 1.00 0.00 C ATOM 0 H ILE A 37 29.200 19.982 4.799 1.00 0.00 H new ATOM 0 HA ILE A 37 27.526 20.137 2.395 1.00 0.00 H new ATOM 0 HB ILE A 37 28.745 22.204 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.830 20.484 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.723 22.167 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.245 23.823 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.430 23.151 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.748 22.568 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.581 21.395 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.312 22.658 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.421 20.949 2.951 1.00 0.00 H new ATOM 608 N LYS A 38 29.121 21.113 0.676 1.00 12.68 N ATOM 609 CA LYS A 38 30.150 21.462 -0.339 1.00 12.78 C ATOM 610 C LYS A 38 30.880 22.741 0.072 1.00 14.66 C ATOM 611 O LYS A 38 30.379 23.553 0.824 1.00 13.94 O ATOM 612 CB LYS A 38 29.499 21.664 -1.705 1.00 11.68 C ATOM 613 CG LYS A 38 28.485 20.544 -1.965 1.00 12.28 C ATOM 614 CD LYS A 38 28.369 20.287 -3.471 1.00 13.74 C ATOM 615 CE LYS A 38 27.817 21.534 -4.163 1.00 20.88 C ATOM 616 NZ LYS A 38 27.490 21.209 -5.579 1.00 29.41 N ATOM 0 H LYS A 38 28.168 21.033 0.321 1.00 12.68 H new ATOM 0 HA LYS A 38 30.866 20.642 -0.402 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.002 22.633 -1.742 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.261 21.666 -2.485 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.797 19.633 -1.454 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.512 20.820 -1.558 1.00 12.28 H new ATOM 0 HD2 LYS A 38 29.345 20.032 -3.883 1.00 13.74 H new ATOM 0 HD3 LYS A 38 27.713 19.436 -3.656 1.00 13.74 H new ATOM 0 HE2 LYS A 38 26.926 21.887 -3.644 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.550 22.340 -4.123 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 27.114 22.056 -6.052 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 28.350 20.891 -6.070 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 26.777 20.453 -5.606 1.00 29.41 H new ATOM 630 N GLN A 39 32.069 22.905 -0.420 1.00 0.00 N ATOM 631 CA GLN A 39 32.887 24.108 -0.088 1.00 0.00 C ATOM 632 C GLN A 39 32.168 25.409 -0.480 1.00 0.00 C ATOM 633 O GLN A 39 31.552 25.504 -1.523 1.00 0.00 O ATOM 634 CB GLN A 39 34.218 24.024 -0.836 1.00 0.00 C ATOM 635 CG GLN A 39 34.784 22.607 -0.713 1.00 0.00 C ATOM 636 CD GLN A 39 36.264 22.611 -1.101 1.00 0.00 C ATOM 637 OE1 GLN A 39 37.118 22.323 -0.287 1.00 0.00 O ATOM 638 NE2 GLN A 39 36.605 22.926 -2.321 1.00 0.00 N ATOM 0 H GLN A 39 32.523 22.245 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 39 33.049 24.125 0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 39 34.074 24.280 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.924 24.746 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.666 22.245 0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.230 21.926 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.888 23.168 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.589 22.930 -2.591 1.00 0.00 H new ATOM 647 N GLY A 40 32.292 26.425 0.337 1.00 11.96 N ATOM 648 CA GLY A 40 31.675 27.749 0.015 1.00 8.67 C ATOM 649 C GLY A 40 30.145 27.684 0.010 1.00 10.51 C ATOM 650 O GLY A 40 29.488 28.623 -0.398 1.00 15.27 O ATOM 0 H GLY A 40 32.799 26.394 1.222 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.004 28.489 0.745 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.027 28.085 -0.960 1.00 8.67 H new ATOM 654 N LEU A 41 29.563 26.604 0.447 1.00 8.78 N ATOM 655 CA LEU A 41 28.069 26.518 0.444 1.00 6.78 C ATOM 656 C LEU A 41 27.525 26.802 1.842 1.00 7.45 C ATOM 657 O LEU A 41 26.467 27.377 2.006 1.00 2.18 O ATOM 658 CB LEU A 41 27.641 25.105 0.024 1.00 6.98 C ATOM 659 CG LEU A 41 26.780 25.165 -1.237 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.667 25.428 -2.455 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.052 23.831 -1.408 1.00 6.68 C ATOM 0 H LEU A 41 30.048 25.781 0.804 1.00 8.78 H new ATOM 0 HA LEU A 41 27.674 27.254 -0.256 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.522 24.490 -0.158 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.083 24.632 0.832 1.00 6.98 H new ATOM 0 HG LEU A 41 26.052 25.971 -1.147 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.050 25.470 -3.352 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.188 26.377 -2.328 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.397 24.624 -2.554 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.435 23.866 -2.306 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.782 23.027 -1.500 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.419 23.648 -0.540 1.00 6.68 H new ATOM 673 N LEU A 42 28.233 26.387 2.846 1.00 7.13 N ATOM 674 CA LEU A 42 27.757 26.602 4.239 1.00 6.20 C ATOM 675 C LEU A 42 28.349 27.898 4.792 1.00 5.03 C ATOM 676 O LEU A 42 29.523 28.173 4.640 1.00 5.38 O ATOM 677 CB LEU A 42 28.213 25.417 5.091 1.00 3.82 C ATOM 678 CG LEU A 42 27.763 25.598 6.542 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.232 25.658 6.612 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.265 24.413 7.372 1.00 2.48 C ATOM 0 H LEU A 42 29.128 25.904 2.765 1.00 7.13 H new ATOM 0 HA LEU A 42 26.670 26.679 4.258 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.801 24.492 4.689 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.298 25.327 5.049 1.00 3.82 H new ATOM 0 HG LEU A 42 28.173 26.528 6.935 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.920 25.787 7.648 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.873 26.498 6.018 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.813 24.731 6.220 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.948 24.534 8.408 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.851 23.487 6.972 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.353 24.373 7.328 1.00 2.48 H new ATOM 692 N GLU A 43 27.541 28.699 5.431 1.00 5.92 N ATOM 693 CA GLU A 43 28.047 29.982 5.993 1.00 7.54 C ATOM 694 C GLU A 43 27.335 30.283 7.317 1.00 6.00 C ATOM 695 O GLU A 43 26.417 29.594 7.716 1.00 4.97 O ATOM 696 CB GLU A 43 27.765 31.112 4.992 1.00 8.77 C ATOM 697 CG GLU A 43 28.837 32.204 5.108 1.00 16.17 C ATOM 698 CD GLU A 43 30.051 31.827 4.257 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.100 30.699 3.794 1.00 19.19 O ATOM 700 OE2 GLU A 43 30.912 32.673 4.082 1.00 22.03 O ATOM 0 H GLU A 43 26.549 28.519 5.588 1.00 5.92 H new ATOM 0 HA GLU A 43 29.119 29.905 6.173 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.750 30.713 3.978 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.780 31.538 5.182 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.432 33.161 4.778 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.135 32.326 6.149 1.00 16.17 H new ATOM 707 N PHE A 44 27.743 31.327 7.982 1.00 7.78 N ATOM 708 CA PHE A 44 27.098 31.723 9.265 1.00 9.60 C ATOM 709 C PHE A 44 26.943 33.244 9.239 1.00 6.71 C ATOM 710 O PHE A 44 27.909 33.979 9.279 1.00 6.85 O ATOM 711 CB PHE A 44 27.978 31.288 10.440 1.00 12.09 C ATOM 712 CG PHE A 44 28.366 29.839 10.252 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.469 28.820 10.601 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.619 29.514 9.719 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.826 27.479 10.418 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.976 28.172 9.538 1.00 16.33 C ATOM 717 CZ PHE A 44 29.080 27.155 9.887 1.00 10.85 C ATOM 0 H PHE A 44 28.509 31.932 7.686 1.00 7.78 H new ATOM 0 HA PHE A 44 26.125 31.246 9.384 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.870 31.913 10.495 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.441 31.415 11.380 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.502 29.070 11.011 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.310 30.298 9.447 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.134 26.694 10.686 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.944 27.922 9.129 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.356 26.120 9.747 1.00 10.85 H new ATOM 727 N VAL A 45 25.734 33.718 9.109 1.00 6.10 N ATOM 728 CA VAL A 45 25.509 35.191 9.005 1.00 6.58 C ATOM 729 C VAL A 45 25.175 35.811 10.368 1.00 6.12 C ATOM 730 O VAL A 45 24.087 35.661 10.887 1.00 5.14 O ATOM 731 CB VAL A 45 24.354 35.425 8.028 1.00 5.25 C ATOM 732 CG1 VAL A 45 23.933 36.894 8.058 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.810 35.050 6.614 1.00 2.33 C ATOM 0 H VAL A 45 24.889 33.148 9.070 1.00 6.10 H new ATOM 0 HA VAL A 45 26.422 35.668 8.649 1.00 6.58 H new ATOM 0 HB VAL A 45 23.504 34.808 8.318 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.111 37.051 7.360 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.610 37.159 9.065 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.778 37.520 7.771 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.992 35.214 5.912 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.661 35.669 6.330 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.101 34.000 6.592 1.00 2.33 H new ATOM 743 N ASP A 46 26.112 36.526 10.935 1.00 6.79 N ATOM 744 CA ASP A 46 25.881 37.190 12.248 1.00 6.49 C ATOM 745 C ASP A 46 25.172 38.532 12.020 1.00 9.11 C ATOM 746 O ASP A 46 25.791 39.522 11.686 1.00 7.52 O ATOM 747 CB ASP A 46 27.231 37.423 12.925 1.00 7.84 C ATOM 748 CG ASP A 46 28.090 36.166 12.777 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.747 35.163 13.381 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.075 36.225 12.058 1.00 10.50 O ATOM 0 H ASP A 46 27.039 36.679 10.537 1.00 6.79 H new ATOM 0 HA ASP A 46 25.257 36.561 12.883 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.735 38.278 12.474 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.087 37.658 13.980 1.00 7.84 H new ATOM 755 N ILE A 47 23.877 38.568 12.180 1.00 8.21 N ATOM 756 CA ILE A 47 23.129 39.842 11.953 1.00 8.33 C ATOM 757 C ILE A 47 23.520 40.893 12.990 1.00 10.92 C ATOM 758 O ILE A 47 23.170 42.052 12.873 1.00 9.40 O ATOM 759 CB ILE A 47 21.632 39.570 12.039 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.308 38.846 13.348 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.229 38.689 10.862 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.792 38.851 13.568 1.00 7.93 C ATOM 0 H ILE A 47 23.303 37.772 12.458 1.00 8.21 H new ATOM 0 HA ILE A 47 23.381 40.224 10.964 1.00 8.33 H new ATOM 0 HB ILE A 47 21.085 40.512 12.010 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.678 37.821 13.311 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.810 39.337 14.182 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.159 38.485 10.910 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.460 39.202 9.928 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.780 37.749 10.906 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.558 38.336 14.500 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.436 39.880 13.623 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.302 38.341 12.738 1.00 7.93 H new ATOM 774 N THR A 48 24.251 40.507 13.999 1.00 13.41 N ATOM 775 CA THR A 48 24.670 41.490 15.031 1.00 16.67 C ATOM 776 C THR A 48 26.063 41.970 14.676 1.00 16.58 C ATOM 777 O THR A 48 26.910 42.153 15.523 1.00 18.03 O ATOM 778 CB THR A 48 24.682 40.831 16.412 1.00 15.80 C ATOM 779 OG1 THR A 48 25.050 41.792 17.397 1.00 21.06 O ATOM 780 CG2 THR A 48 25.679 39.674 16.425 1.00 21.72 C ATOM 0 H THR A 48 24.575 39.552 14.152 1.00 13.41 H new ATOM 0 HA THR A 48 23.973 42.328 15.060 1.00 16.67 H new ATOM 0 HB THR A 48 23.686 40.448 16.635 1.00 15.80 H new ATOM 0 HG1 THR A 48 25.892 42.221 17.137 1.00 21.06 H new ATOM 0 HG21 THR A 48 25.683 39.209 17.411 1.00 21.72 H new ATOM 0 HG22 THR A 48 25.390 38.936 15.677 1.00 21.72 H new ATOM 0 HG23 THR A 48 26.676 40.050 16.197 1.00 21.72 H new ATOM 788 N ALA A 49 26.294 42.190 13.417 1.00 15.36 N ATOM 789 CA ALA A 49 27.631 42.675 12.994 1.00 18.08 C ATOM 790 C ALA A 49 27.530 43.465 11.695 1.00 20.63 C ATOM 791 O ALA A 49 28.522 43.855 11.116 1.00 22.45 O ATOM 792 CB ALA A 49 28.597 41.514 12.830 1.00 18.76 C ATOM 0 H ALA A 49 25.618 42.056 12.665 1.00 15.36 H new ATOM 0 HA ALA A 49 28.013 43.335 13.773 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.571 41.892 12.519 1.00 18.76 H new ATOM 0 HB2 ALA A 49 28.698 40.988 13.779 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.216 40.828 12.073 1.00 18.76 H new ATOM 798 N THR A 50 26.332 43.768 11.285 1.00 22.30 N ATOM 799 CA THR A 50 26.129 44.630 10.087 1.00 25.27 C ATOM 800 C THR A 50 25.189 45.736 10.542 1.00 24.34 C ATOM 801 O THR A 50 24.871 46.653 9.817 1.00 25.49 O ATOM 802 CB THR A 50 25.488 43.881 8.919 1.00 22.85 C ATOM 803 OG1 THR A 50 25.180 44.836 7.906 1.00 23.28 O ATOM 804 CG2 THR A 50 24.193 43.198 9.363 1.00 25.63 C ATOM 0 H THR A 50 25.473 43.451 11.734 1.00 22.30 H new ATOM 0 HA THR A 50 27.090 44.994 9.725 1.00 25.27 H new ATOM 0 HB THR A 50 26.175 43.119 8.552 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.293 45.741 8.265 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.752 42.670 8.518 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.411 42.488 10.160 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.492 43.949 9.728 1.00 25.63 H new ATOM 812 N ASN A 51 24.755 45.632 11.771 1.00 0.00 N ATOM 813 CA ASN A 51 23.841 46.635 12.371 1.00 0.00 C ATOM 814 C ASN A 51 22.454 46.497 11.757 1.00 0.00 C ATOM 815 O ASN A 51 22.185 45.583 11.001 1.00 0.00 O ATOM 816 CB ASN A 51 24.397 48.055 12.187 1.00 0.00 C ATOM 817 CG ASN A 51 25.925 48.005 12.111 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.542 47.098 12.628 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.559 48.957 11.485 1.00 0.00 N ATOM 0 H ASN A 51 25.007 44.868 12.398 1.00 0.00 H new ATOM 0 HA ASN A 51 23.763 46.453 13.443 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.992 48.499 11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.085 48.688 13.017 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.577 48.940 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.037 49.718 11.051 1.00 0.00 H new ATOM 826 N HIS A 52 21.557 47.375 12.113 1.00 0.00 N ATOM 827 CA HIS A 52 20.174 47.278 11.588 1.00 0.00 C ATOM 828 C HIS A 52 19.667 45.875 11.915 1.00 0.00 C ATOM 829 O HIS A 52 18.712 45.395 11.340 1.00 0.00 O ATOM 830 CB HIS A 52 20.165 47.534 10.078 1.00 0.00 C ATOM 831 CG HIS A 52 21.378 48.353 9.719 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.399 47.855 8.926 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.762 49.627 10.069 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.342 48.811 8.832 1.00 0.00 C ATOM 835 NE2 HIS A 52 23.003 49.912 9.508 1.00 0.00 N ATOM 0 H HIS A 52 21.727 48.156 12.747 1.00 0.00 H new ATOM 0 HA HIS A 52 19.525 48.026 12.043 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.173 46.589 9.535 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.255 48.060 9.789 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.188 50.303 10.685 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.262 48.701 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.539 50.776 9.594 1.00 0.00 H new ATOM 843 N THR A 53 20.328 45.242 12.852 1.00 18.27 N ATOM 844 CA THR A 53 19.962 43.862 13.294 1.00 16.01 C ATOM 845 C THR A 53 18.456 43.627 13.128 1.00 16.57 C ATOM 846 O THR A 53 18.041 42.699 12.467 1.00 18.87 O ATOM 847 CB THR A 53 20.358 43.717 14.782 1.00 15.02 C ATOM 848 OG1 THR A 53 21.562 44.430 15.000 1.00 13.32 O ATOM 849 CG2 THR A 53 20.581 42.247 15.164 1.00 9.59 C ATOM 0 H THR A 53 21.130 45.638 13.343 1.00 18.27 H new ATOM 0 HA THR A 53 20.486 43.125 12.686 1.00 16.01 H new ATOM 0 HB THR A 53 19.548 44.112 15.395 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.825 44.348 15.941 1.00 13.32 H new ATOM 0 HG21 THR A 53 20.858 42.182 16.216 1.00 9.59 H new ATOM 0 HG22 THR A 53 19.663 41.684 14.995 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.381 41.829 14.552 1.00 9.59 H new ATOM 857 N ASN A 54 17.640 44.453 13.732 1.00 13.94 N ATOM 858 CA ASN A 54 16.159 44.272 13.632 1.00 18.93 C ATOM 859 C ASN A 54 15.675 44.326 12.181 1.00 16.34 C ATOM 860 O ASN A 54 14.717 43.670 11.823 1.00 15.61 O ATOM 861 CB ASN A 54 15.479 45.381 14.431 1.00 24.12 C ATOM 862 CG ASN A 54 16.104 45.460 15.826 1.00 35.27 C ATOM 863 OD1 ASN A 54 15.718 46.283 16.632 1.00 45.21 O ATOM 864 ND2 ASN A 54 17.065 44.636 16.146 1.00 37.58 N ATOM 0 H ASN A 54 17.938 45.250 14.294 1.00 13.94 H new ATOM 0 HA ASN A 54 15.904 43.290 14.030 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.590 46.335 13.916 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.410 45.184 14.510 1.00 24.12 H new ATOM 0 HD21 ASN A 54 17.491 44.684 17.072 1.00 37.58 H new ATOM 0 HD22 ASN A 54 17.390 43.945 15.470 1.00 37.58 H new ATOM 871 N GLU A 55 16.300 45.102 11.343 1.00 16.09 N ATOM 872 CA GLU A 55 15.818 45.172 9.936 1.00 15.04 C ATOM 873 C GLU A 55 15.907 43.781 9.306 1.00 15.56 C ATOM 874 O GLU A 55 14.971 43.317 8.688 1.00 18.95 O ATOM 875 CB GLU A 55 16.656 46.173 9.136 1.00 18.55 C ATOM 876 CG GLU A 55 16.400 47.587 9.668 1.00 23.55 C ATOM 877 CD GLU A 55 14.957 48.003 9.364 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.622 48.099 8.195 1.00 31.49 O ATOM 879 OE2 GLU A 55 14.214 48.220 10.307 1.00 33.02 O ATOM 0 H GLU A 55 17.110 45.682 11.564 1.00 16.09 H new ATOM 0 HA GLU A 55 14.782 45.510 9.924 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.715 45.927 9.219 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.398 46.118 8.078 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.578 47.619 10.743 1.00 23.55 H new ATOM 0 HG3 GLU A 55 17.095 48.290 9.208 1.00 23.55 H new ATOM 886 N ILE A 56 17.011 43.101 9.469 1.00 9.56 N ATOM 887 CA ILE A 56 17.130 41.735 8.880 1.00 8.91 C ATOM 888 C ILE A 56 16.098 40.806 9.522 1.00 7.70 C ATOM 889 O ILE A 56 15.298 40.200 8.840 1.00 9.84 O ATOM 890 CB ILE A 56 18.547 41.192 9.109 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.524 41.867 8.128 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.561 39.677 8.873 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.110 43.136 8.756 1.00 8.03 C ATOM 0 H ILE A 56 17.830 43.429 9.981 1.00 9.56 H new ATOM 0 HA ILE A 56 16.942 41.786 7.808 1.00 8.91 H new ATOM 0 HB ILE A 56 18.852 41.406 10.133 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.327 41.176 7.869 1.00 6.47 H new ATOM 0 HG13 ILE A 56 19.007 42.116 7.201 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.568 39.293 9.036 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.872 39.194 9.566 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.253 39.465 7.849 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.799 43.605 8.054 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.304 43.831 8.992 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.644 42.876 9.670 1.00 8.03 H new ATOM 905 N GLN A 57 16.095 40.689 10.820 1.00 7.49 N ATOM 906 CA GLN A 57 15.099 39.789 11.470 1.00 6.88 C ATOM 907 C GLN A 57 13.706 40.244 11.070 1.00 9.50 C ATOM 908 O GLN A 57 12.833 39.450 10.779 1.00 11.03 O ATOM 909 CB GLN A 57 15.229 39.887 12.986 1.00 11.02 C ATOM 910 CG GLN A 57 16.701 40.065 13.353 1.00 12.13 C ATOM 911 CD GLN A 57 16.989 39.369 14.685 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.938 38.159 14.775 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.289 40.089 15.731 1.00 17.84 N ATOM 0 H GLN A 57 16.731 41.171 11.455 1.00 7.49 H new ATOM 0 HA GLN A 57 15.273 38.760 11.156 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.644 40.728 13.360 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.831 38.988 13.456 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.334 39.648 12.570 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.942 41.126 13.426 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.332 41.105 15.655 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.481 39.636 16.624 1.00 17.84 H new ATOM 922 N ASP A 58 13.498 41.528 11.045 1.00 13.48 N ATOM 923 CA ASP A 58 12.168 42.051 10.653 1.00 13.94 C ATOM 924 C ASP A 58 11.802 41.435 9.309 1.00 13.32 C ATOM 925 O ASP A 58 10.658 41.120 9.044 1.00 14.28 O ATOM 926 CB ASP A 58 12.245 43.575 10.518 1.00 12.80 C ATOM 927 CG ASP A 58 12.161 44.224 11.901 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.499 43.560 12.867 1.00 18.84 O ATOM 929 OD2 ASP A 58 11.761 45.374 11.970 1.00 15.13 O ATOM 0 H ASP A 58 14.193 42.237 11.280 1.00 13.48 H new ATOM 0 HA ASP A 58 11.417 41.799 11.402 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.177 43.859 10.029 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.432 43.935 9.888 1.00 12.80 H new ATOM 934 N TYR A 59 12.777 41.241 8.464 1.00 12.69 N ATOM 935 CA TYR A 59 12.496 40.620 7.138 1.00 10.10 C ATOM 936 C TYR A 59 12.385 39.104 7.315 1.00 7.75 C ATOM 937 O TYR A 59 11.490 38.474 6.786 1.00 5.81 O ATOM 938 CB TYR A 59 13.617 40.953 6.154 1.00 12.40 C ATOM 939 CG TYR A 59 13.211 40.524 4.761 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.370 41.339 3.992 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.680 39.314 4.239 1.00 6.81 C ATOM 942 CE1 TYR A 59 11.999 40.940 2.700 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.310 38.916 2.948 1.00 10.94 C ATOM 944 CZ TYR A 59 12.470 39.729 2.178 1.00 9.37 C ATOM 945 OH TYR A 59 12.102 39.334 0.906 1.00 12.99 O ATOM 0 H TYR A 59 13.753 41.485 8.633 1.00 12.69 H new ATOM 0 HA TYR A 59 11.560 41.012 6.740 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.824 42.023 6.171 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.536 40.446 6.449 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.008 42.274 4.394 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.328 38.686 4.832 1.00 6.81 H new ATOM 0 HE1 TYR A 59 11.350 41.567 2.107 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.673 37.981 2.546 1.00 10.94 H new ATOM 0 HH TYR A 59 12.517 38.471 0.699 1.00 12.99 H new ATOM 955 N LEU A 60 13.276 38.506 8.069 1.00 10.71 N ATOM 956 CA LEU A 60 13.185 37.033 8.278 1.00 11.04 C ATOM 957 C LEU A 60 11.765 36.721 8.727 1.00 10.32 C ATOM 958 O LEU A 60 11.177 35.726 8.353 1.00 14.61 O ATOM 959 CB LEU A 60 14.166 36.584 9.368 1.00 7.24 C ATOM 960 CG LEU A 60 15.600 36.972 8.992 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.571 36.390 10.027 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.944 36.422 7.603 1.00 7.23 C ATOM 0 H LEU A 60 14.052 38.970 8.542 1.00 10.71 H new ATOM 0 HA LEU A 60 13.433 36.510 7.355 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.896 37.043 10.319 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.099 35.505 9.504 1.00 7.24 H new ATOM 0 HG LEU A 60 15.686 38.059 8.977 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.592 36.664 9.762 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.333 36.788 11.013 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.479 35.304 10.042 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.965 36.702 7.343 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.857 35.336 7.610 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.256 36.837 6.867 1.00 7.23 H new ATOM 974 N GLN A 61 11.208 37.591 9.516 1.00 10.78 N ATOM 975 CA GLN A 61 9.819 37.396 9.994 1.00 11.72 C ATOM 976 C GLN A 61 8.880 37.370 8.785 1.00 14.05 C ATOM 977 O GLN A 61 8.133 36.436 8.581 1.00 14.24 O ATOM 978 CB GLN A 61 9.456 38.572 10.904 1.00 17.47 C ATOM 979 CG GLN A 61 8.034 38.404 11.440 1.00 25.06 C ATOM 980 CD GLN A 61 8.043 37.473 12.654 1.00 31.26 C ATOM 981 OE1 GLN A 61 7.032 37.291 13.302 1.00 40.45 O ATOM 982 NE2 GLN A 61 9.151 36.872 12.993 1.00 30.05 N ATOM 0 H GLN A 61 11.663 38.439 9.853 1.00 10.78 H new ATOM 0 HA GLN A 61 9.727 36.459 10.543 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.161 38.631 11.733 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.536 39.508 10.351 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.624 39.375 11.718 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.388 37.996 10.662 1.00 25.06 H new ATOM 0 HE21 GLN A 61 10.001 37.024 12.449 1.00 30.05 H new ATOM 0 HE22 GLN A 61 9.167 36.250 13.801 1.00 30.05 H new ATOM 991 N GLN A 62 8.913 38.400 7.987 1.00 15.71 N ATOM 992 CA GLN A 62 8.030 38.463 6.794 1.00 18.54 C ATOM 993 C GLN A 62 8.439 37.391 5.778 1.00 19.36 C ATOM 994 O GLN A 62 7.608 36.797 5.119 1.00 19.52 O ATOM 995 CB GLN A 62 8.175 39.849 6.170 1.00 25.59 C ATOM 996 CG GLN A 62 7.790 40.910 7.205 1.00 34.08 C ATOM 997 CD GLN A 62 7.606 42.263 6.516 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.827 43.083 6.961 1.00 41.81 O ATOM 999 NE2 GLN A 62 8.293 42.535 5.441 1.00 36.81 N ATOM 0 H GLN A 62 9.521 39.209 8.114 1.00 15.71 H new ATOM 0 HA GLN A 62 6.995 38.283 7.085 1.00 18.54 H new ATOM 0 HB2 GLN A 62 9.201 40.005 5.836 1.00 25.59 H new ATOM 0 HB3 GLN A 62 7.537 39.933 5.290 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.869 40.621 7.710 1.00 34.08 H new ATOM 0 HG3 GLN A 62 8.564 40.983 7.969 1.00 34.08 H new ATOM 0 HE21 GLN A 62 8.947 41.848 5.066 1.00 36.81 H new ATOM 0 HE22 GLN A 62 8.176 43.435 4.975 1.00 36.81 H new ATOM 1008 N LEU A 63 9.712 37.145 5.641 1.00 17.09 N ATOM 1009 CA LEU A 63 10.176 36.117 4.661 1.00 16.00 C ATOM 1010 C LEU A 63 9.704 34.733 5.098 1.00 11.34 C ATOM 1011 O LEU A 63 9.116 33.994 4.335 1.00 10.68 O ATOM 1012 CB LEU A 63 11.707 36.130 4.592 1.00 19.91 C ATOM 1013 CG LEU A 63 12.195 35.096 3.566 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.830 35.550 2.146 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.715 34.945 3.681 1.00 19.51 C ATOM 0 H LEU A 63 10.453 37.610 6.164 1.00 17.09 H new ATOM 0 HA LEU A 63 9.761 36.347 3.680 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.058 37.124 4.315 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.125 35.906 5.573 1.00 19.91 H new ATOM 0 HG LEU A 63 11.714 34.138 3.766 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.180 34.810 1.426 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.748 35.652 2.064 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.302 36.510 1.938 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.064 34.212 2.954 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.192 35.905 3.485 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.972 34.610 4.686 1.00 19.51 H new ATOM 1027 N THR A 64 9.978 34.375 6.318 1.00 10.04 N ATOM 1028 CA THR A 64 9.573 33.031 6.822 1.00 8.87 C ATOM 1029 C THR A 64 8.446 33.178 7.845 1.00 10.75 C ATOM 1030 O THR A 64 7.336 32.738 7.623 1.00 11.38 O ATOM 1031 CB THR A 64 10.783 32.363 7.483 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.851 32.750 8.848 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.064 32.798 6.765 1.00 6.96 C ATOM 0 H THR A 64 10.469 34.958 6.995 1.00 10.04 H new ATOM 0 HA THR A 64 9.220 32.420 5.992 1.00 8.87 H new ATOM 0 HB THR A 64 10.680 31.280 7.417 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.517 33.461 8.954 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.924 32.322 7.236 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.013 32.501 5.718 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.168 33.881 6.830 1.00 6.96 H new ATOM 1041 N GLY A 65 8.717 33.789 8.966 1.00 10.19 N ATOM 1042 CA GLY A 65 7.651 33.954 9.993 1.00 13.28 C ATOM 1043 C GLY A 65 8.278 34.113 11.378 1.00 14.66 C ATOM 1044 O GLY A 65 7.846 34.923 12.173 1.00 14.79 O ATOM 0 H GLY A 65 9.626 34.179 9.214 1.00 10.19 H new ATOM 0 HA2 GLY A 65 7.041 34.826 9.759 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.988 33.089 9.982 1.00 13.28 H new ATOM 1048 N ALA A 66 9.284 33.338 11.681 1.00 12.02 N ATOM 1049 CA ALA A 66 9.927 33.438 13.025 1.00 9.85 C ATOM 1050 C ALA A 66 11.171 34.324 12.955 1.00 14.04 C ATOM 1051 O ALA A 66 11.947 34.260 12.024 1.00 17.81 O ATOM 1052 CB ALA A 66 10.328 32.040 13.501 1.00 13.74 C ATOM 0 H ALA A 66 9.689 32.640 11.057 1.00 12.02 H new ATOM 0 HA ALA A 66 9.217 33.880 13.724 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.798 32.110 14.482 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.441 31.410 13.568 1.00 13.74 H new ATOM 0 HB3 ALA A 66 11.031 31.602 12.793 1.00 13.74 H new ATOM 1058 N ARG A 67 11.360 35.144 13.952 1.00 15.81 N ATOM 1059 CA ARG A 67 12.544 36.044 13.994 1.00 16.07 C ATOM 1060 C ARG A 67 13.471 35.571 15.118 1.00 14.37 C ATOM 1061 O ARG A 67 14.142 36.351 15.764 1.00 14.43 O ATOM 1062 CB ARG A 67 12.062 37.467 14.283 1.00 15.97 C ATOM 1063 CG ARG A 67 11.113 37.466 15.499 1.00 17.12 C ATOM 1064 CD ARG A 67 11.712 38.305 16.630 1.00 22.31 C ATOM 1065 NE ARG A 67 11.637 39.748 16.269 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.802 40.658 17.189 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.044 40.303 18.421 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.727 41.922 16.876 1.00 21.50 N ATOM 0 H ARG A 67 10.733 35.229 14.752 1.00 15.81 H new ATOM 0 HA ARG A 67 13.080 36.027 13.045 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.916 38.116 14.478 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.548 37.870 13.410 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.141 37.868 15.213 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.948 36.444 15.841 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.171 38.123 17.559 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.749 38.015 16.803 1.00 22.31 H new ATOM 0 HE ARG A 67 11.457 40.024 15.304 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.104 39.314 18.664 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.173 41.014 19.141 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.539 42.198 15.912 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.856 42.634 17.595 1.00 21.50 H new ATOM 1082 N THR A 68 13.476 34.290 15.367 1.00 13.52 N ATOM 1083 CA THR A 68 14.312 33.717 16.462 1.00 14.97 C ATOM 1084 C THR A 68 15.746 33.435 15.981 1.00 12.85 C ATOM 1085 O THR A 68 16.056 33.528 14.810 1.00 10.80 O ATOM 1086 CB THR A 68 13.659 32.401 16.910 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.460 32.204 16.175 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.332 32.450 18.403 1.00 14.06 C ATOM 0 H THR A 68 12.927 33.604 14.849 1.00 13.52 H new ATOM 0 HA THR A 68 14.370 34.431 17.284 1.00 14.97 H new ATOM 0 HB THR A 68 14.352 31.580 16.727 1.00 13.06 H new ATOM 0 HG1 THR A 68 12.039 31.365 16.455 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.870 31.510 18.705 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.249 32.603 18.972 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.643 33.272 18.598 1.00 14.06 H new ATOM 1096 N VAL A 69 16.611 33.061 16.896 1.00 8.20 N ATOM 1097 CA VAL A 69 18.027 32.729 16.538 1.00 5.92 C ATOM 1098 C VAL A 69 18.230 31.227 16.784 1.00 5.25 C ATOM 1099 O VAL A 69 17.916 30.759 17.853 1.00 5.78 O ATOM 1100 CB VAL A 69 18.991 33.491 17.464 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.411 33.439 16.901 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.558 34.951 17.605 1.00 4.08 C ATOM 0 H VAL A 69 16.392 32.971 17.888 1.00 8.20 H new ATOM 0 HA VAL A 69 18.221 33.000 15.500 1.00 5.92 H new ATOM 0 HB VAL A 69 18.969 33.016 18.445 1.00 4.36 H new ATOM 0 HG11 VAL A 69 21.085 33.981 17.564 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.734 32.401 16.825 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.427 33.898 15.912 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.251 35.474 18.263 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.559 35.427 16.625 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.554 34.994 18.028 1.00 4.08 H new ATOM 1112 N PRO A 70 18.751 30.493 15.829 1.00 5.33 N ATOM 1113 CA PRO A 70 19.167 30.987 14.497 1.00 6.04 C ATOM 1114 C PRO A 70 17.984 31.084 13.524 1.00 7.79 C ATOM 1115 O PRO A 70 16.829 30.982 13.888 1.00 7.15 O ATOM 1116 CB PRO A 70 20.122 29.889 13.991 1.00 3.22 C ATOM 1117 CG PRO A 70 19.875 28.630 14.861 1.00 6.88 C ATOM 1118 CD PRO A 70 18.994 29.059 16.042 1.00 6.17 C ATOM 0 HA PRO A 70 19.605 31.983 14.560 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.936 29.672 12.939 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.159 30.214 14.071 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.384 27.850 14.278 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.819 28.216 15.216 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.059 28.498 16.062 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.494 28.880 16.994 1.00 6.17 H new ATOM 1126 N ARG A 71 18.314 31.236 12.272 1.00 6.15 N ATOM 1127 CA ARG A 71 17.305 31.298 11.180 1.00 7.10 C ATOM 1128 C ARG A 71 17.971 30.623 9.969 1.00 4.23 C ATOM 1129 O ARG A 71 18.689 31.247 9.215 1.00 6.47 O ATOM 1130 CB ARG A 71 16.957 32.766 10.868 1.00 10.23 C ATOM 1131 CG ARG A 71 15.467 33.027 11.132 1.00 15.67 C ATOM 1132 CD ARG A 71 14.597 32.167 10.203 1.00 20.29 C ATOM 1133 NE ARG A 71 13.593 31.431 11.024 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.564 30.867 10.453 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.418 30.929 9.158 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.682 30.238 11.179 1.00 23.53 N ATOM 0 H ARG A 71 19.278 31.323 11.951 1.00 6.15 H new ATOM 0 HA ARG A 71 16.373 30.801 11.450 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.564 33.430 11.483 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.194 32.990 9.828 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.231 32.802 12.172 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.243 34.082 10.976 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.095 32.796 9.468 1.00 20.29 H new ATOM 0 HD3 ARG A 71 15.219 31.464 9.649 1.00 20.29 H new ATOM 0 HE ARG A 71 13.711 31.368 12.035 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.109 31.419 8.590 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.613 30.487 8.714 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.797 30.188 12.191 1.00 23.53 H new ATOM 0 HH22 ARG A 71 10.877 29.797 10.735 1.00 23.53 H new ATOM 1150 N VAL A 72 17.796 29.334 9.829 1.00 4.55 N ATOM 1151 CA VAL A 72 18.483 28.587 8.727 1.00 6.53 C ATOM 1152 C VAL A 72 17.717 28.665 7.406 1.00 8.68 C ATOM 1153 O VAL A 72 16.527 28.907 7.370 1.00 6.48 O ATOM 1154 CB VAL A 72 18.612 27.124 9.146 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.282 26.325 8.027 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.460 27.038 10.418 1.00 3.35 C ATOM 0 H VAL A 72 17.205 28.762 10.432 1.00 4.55 H new ATOM 0 HA VAL A 72 19.460 29.043 8.564 1.00 6.53 H new ATOM 0 HB VAL A 72 17.622 26.710 9.337 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.373 25.282 8.329 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.678 26.390 7.122 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.273 26.734 7.832 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.555 25.996 10.722 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.450 27.452 10.224 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.979 27.606 11.215 1.00 3.35 H new ATOM 1166 N PHE A 73 18.416 28.461 6.311 1.00 5.39 N ATOM 1167 CA PHE A 73 17.763 28.523 4.971 1.00 6.90 C ATOM 1168 C PHE A 73 18.384 27.507 4.007 1.00 7.16 C ATOM 1169 O PHE A 73 19.285 27.839 3.262 1.00 14.07 O ATOM 1170 CB PHE A 73 17.974 29.910 4.363 1.00 6.44 C ATOM 1171 CG PHE A 73 17.044 30.909 4.996 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.428 31.580 6.161 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.803 31.175 4.408 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.568 32.519 6.739 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.942 32.112 4.987 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.325 32.785 6.153 1.00 7.54 C ATOM 0 H PHE A 73 19.415 28.254 6.293 1.00 5.39 H new ATOM 0 HA PHE A 73 16.704 28.305 5.110 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.008 30.224 4.508 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.800 29.873 3.288 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.387 31.374 6.613 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.510 30.657 3.507 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.863 33.039 7.638 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.983 32.316 4.535 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.661 33.510 6.601 1.00 7.54 H new ATOM 1186 N ILE A 74 17.892 26.301 3.949 1.00 5.91 N ATOM 1187 CA ILE A 74 18.463 25.357 2.949 1.00 7.08 C ATOM 1188 C ILE A 74 17.979 25.872 1.599 1.00 8.52 C ATOM 1189 O ILE A 74 16.791 25.955 1.360 1.00 6.64 O ATOM 1190 CB ILE A 74 17.944 23.931 3.179 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.736 23.689 4.679 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.951 22.915 2.623 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.038 23.950 5.441 1.00 9.34 C ATOM 0 H ILE A 74 17.140 25.935 4.533 1.00 5.91 H new ATOM 0 HA ILE A 74 19.550 25.312 3.016 1.00 7.08 H new ATOM 0 HB ILE A 74 16.992 23.810 2.662 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.949 24.343 5.055 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.407 22.664 4.847 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.578 21.904 2.789 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.084 23.082 1.554 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.908 23.036 3.131 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.878 23.775 6.505 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.815 23.278 5.075 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.350 24.983 5.286 1.00 9.34 H new ATOM 1205 N GLY A 75 18.858 26.290 0.735 1.00 9.27 N ATOM 1206 CA GLY A 75 18.365 26.866 -0.543 1.00 9.68 C ATOM 1207 C GLY A 75 17.469 28.044 -0.153 1.00 12.42 C ATOM 1208 O GLY A 75 17.570 28.550 0.946 1.00 11.15 O ATOM 0 H GLY A 75 19.871 26.260 0.852 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.194 27.196 -1.168 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.808 26.125 -1.117 1.00 9.68 H new ATOM 1212 N LYS A 76 16.582 28.484 -0.997 1.00 14.40 N ATOM 1213 CA LYS A 76 15.704 29.616 -0.579 1.00 16.68 C ATOM 1214 C LYS A 76 14.561 29.063 0.281 1.00 16.27 C ATOM 1215 O LYS A 76 13.677 29.785 0.698 1.00 14.00 O ATOM 1216 CB LYS A 76 15.129 30.321 -1.809 1.00 23.46 C ATOM 1217 CG LYS A 76 16.270 30.901 -2.652 1.00 30.10 C ATOM 1218 CD LYS A 76 15.733 32.024 -3.543 1.00 38.66 C ATOM 1219 CE LYS A 76 14.535 31.513 -4.345 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.240 32.460 -5.457 1.00 44.86 N ATOM 0 H LYS A 76 16.426 28.122 -1.938 1.00 14.40 H new ATOM 0 HA LYS A 76 16.287 30.337 -0.006 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.546 29.618 -2.404 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.451 31.117 -1.500 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.057 31.284 -2.002 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.716 30.118 -3.266 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.438 32.877 -2.932 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.515 32.371 -4.219 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.748 30.521 -4.745 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.665 31.415 -3.696 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 13.425 32.112 -6.002 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.020 33.398 -5.065 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.069 32.532 -6.081 1.00 44.86 H new ATOM 1234 N ASP A 77 14.575 27.781 0.545 1.00 0.00 N ATOM 1235 CA ASP A 77 13.495 27.162 1.372 1.00 0.00 C ATOM 1236 C ASP A 77 13.865 27.224 2.860 1.00 0.00 C ATOM 1237 O ASP A 77 14.814 26.605 3.300 1.00 0.00 O ATOM 1238 CB ASP A 77 13.319 25.701 0.955 1.00 0.00 C ATOM 1239 CG ASP A 77 12.935 25.636 -0.524 1.00 0.00 C ATOM 1240 OD1 ASP A 77 11.762 25.798 -0.819 1.00 0.00 O ATOM 1241 OD2 ASP A 77 13.820 25.427 -1.338 1.00 0.00 O ATOM 0 H ASP A 77 15.293 27.133 0.221 1.00 0.00 H new ATOM 0 HA ASP A 77 12.566 27.710 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.243 25.149 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.548 25.228 1.563 1.00 0.00 H new ATOM 1246 N SER A 78 13.118 27.962 3.636 1.00 0.00 N ATOM 1247 CA SER A 78 13.412 28.063 5.097 1.00 0.00 C ATOM 1248 C SER A 78 12.967 26.783 5.813 1.00 0.00 C ATOM 1249 O SER A 78 11.936 26.219 5.502 1.00 0.00 O ATOM 1250 CB SER A 78 12.653 29.254 5.684 1.00 0.00 C ATOM 1251 OG SER A 78 12.805 29.257 7.098 1.00 0.00 O ATOM 0 H SER A 78 12.313 28.502 3.320 1.00 0.00 H new ATOM 0 HA SER A 78 14.485 28.198 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.033 30.185 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.597 29.193 5.420 1.00 0.00 H new ATOM 0 HG SER A 78 12.003 28.876 7.514 1.00 0.00 H new ATOM 1257 N ILE A 79 13.720 26.332 6.786 1.00 14.84 N ATOM 1258 CA ILE A 79 13.320 25.103 7.537 1.00 16.24 C ATOM 1259 C ILE A 79 12.876 25.507 8.944 1.00 13.64 C ATOM 1260 O ILE A 79 12.164 24.783 9.612 1.00 15.36 O ATOM 1261 CB ILE A 79 14.505 24.138 7.650 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.774 24.909 8.055 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.728 23.435 6.309 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.569 24.092 9.080 1.00 20.45 C ATOM 0 H ILE A 79 14.593 26.762 7.092 1.00 14.84 H new ATOM 0 HA ILE A 79 12.507 24.609 7.005 1.00 16.24 H new ATOM 0 HB ILE A 79 14.286 23.392 8.414 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.388 25.105 7.176 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.504 25.877 8.477 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.571 22.750 6.393 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.832 22.876 6.038 1.00 15.93 H new ATOM 0 HG23 ILE A 79 14.939 24.178 5.540 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.467 24.640 9.365 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.954 23.919 9.963 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.852 23.135 8.642 1.00 20.45 H new ATOM 1276 N GLY A 80 13.286 26.665 9.395 1.00 12.42 N ATOM 1277 CA GLY A 80 12.885 27.129 10.757 1.00 13.73 C ATOM 1278 C GLY A 80 14.124 27.544 11.556 1.00 12.94 C ATOM 1279 O GLY A 80 15.180 27.788 11.006 1.00 13.82 O ATOM 0 H GLY A 80 13.883 27.310 8.877 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.197 27.970 10.675 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.355 26.333 11.280 1.00 13.73 H new ATOM 1283 N GLY A 81 13.997 27.631 12.853 1.00 12.24 N ATOM 1284 CA GLY A 81 15.157 28.038 13.699 1.00 10.24 C ATOM 1285 C GLY A 81 15.998 26.816 14.061 1.00 11.98 C ATOM 1286 O GLY A 81 16.106 25.874 13.302 1.00 12.42 O ATOM 0 H GLY A 81 13.137 27.437 13.365 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.769 28.765 13.165 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.802 28.526 14.606 1.00 10.24 H new ATOM 1290 N SER A 82 16.606 26.835 15.215 1.00 0.00 N ATOM 1291 CA SER A 82 17.457 25.687 15.633 1.00 0.00 C ATOM 1292 C SER A 82 16.584 24.475 15.944 1.00 0.00 C ATOM 1293 O SER A 82 16.706 23.434 15.331 1.00 0.00 O ATOM 1294 CB SER A 82 18.250 26.076 16.882 1.00 0.00 C ATOM 1295 OG SER A 82 18.522 24.911 17.650 1.00 0.00 O ATOM 0 H SER A 82 16.549 27.599 15.888 1.00 0.00 H new ATOM 0 HA SER A 82 18.142 25.434 14.823 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.183 26.563 16.597 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.684 26.793 17.477 1.00 0.00 H new ATOM 0 HG SER A 82 19.031 25.158 18.450 1.00 0.00 H new ATOM 1301 N SER A 83 15.708 24.603 16.895 1.00 0.00 N ATOM 1302 CA SER A 83 14.828 23.457 17.257 1.00 0.00 C ATOM 1303 C SER A 83 14.175 22.904 15.993 1.00 0.00 C ATOM 1304 O SER A 83 13.787 21.755 15.931 1.00 0.00 O ATOM 1305 CB SER A 83 13.752 23.932 18.233 1.00 0.00 C ATOM 1306 OG SER A 83 12.911 22.839 18.575 1.00 0.00 O ATOM 0 H SER A 83 15.561 25.452 17.440 1.00 0.00 H new ATOM 0 HA SER A 83 15.419 22.673 17.730 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.215 24.344 19.130 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.163 24.731 17.782 1.00 0.00 H new ATOM 0 HG SER A 83 12.221 23.141 19.202 1.00 0.00 H new ATOM 1312 N ASP A 84 14.060 23.714 14.982 1.00 12.98 N ATOM 1313 CA ASP A 84 13.447 23.240 13.712 1.00 14.53 C ATOM 1314 C ASP A 84 14.460 22.379 12.952 1.00 11.28 C ATOM 1315 O ASP A 84 14.161 21.289 12.508 1.00 12.09 O ATOM 1316 CB ASP A 84 13.051 24.445 12.859 1.00 17.72 C ATOM 1317 CG ASP A 84 12.058 25.314 13.634 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.417 25.782 14.703 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.955 25.499 13.146 1.00 21.94 O ATOM 0 H ASP A 84 14.365 24.687 14.979 1.00 12.98 H new ATOM 0 HA ASP A 84 12.559 22.646 13.931 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.935 25.027 12.600 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.604 24.110 11.923 1.00 17.72 H new ATOM 1324 N LEU A 85 15.660 22.870 12.802 1.00 11.34 N ATOM 1325 CA LEU A 85 16.711 22.101 12.073 1.00 11.04 C ATOM 1326 C LEU A 85 16.833 20.694 12.660 1.00 12.09 C ATOM 1327 O LEU A 85 16.663 19.704 11.977 1.00 11.43 O ATOM 1328 CB LEU A 85 18.053 22.822 12.233 1.00 9.45 C ATOM 1329 CG LEU A 85 19.078 22.272 11.230 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.341 23.141 11.263 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.449 20.826 11.591 1.00 15.31 C ATOM 0 H LEU A 85 15.960 23.778 13.156 1.00 11.34 H new ATOM 0 HA LEU A 85 16.440 22.030 11.020 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.919 23.892 12.076 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.424 22.693 13.250 1.00 9.45 H new ATOM 0 HG LEU A 85 18.641 22.290 10.231 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.069 22.752 10.552 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.084 24.166 10.995 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.768 23.124 12.266 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.176 20.447 10.873 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.880 20.800 12.592 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.555 20.204 11.565 1.00 15.31 H new ATOM 1343 N VAL A 86 17.152 20.605 13.919 1.00 0.00 N ATOM 1344 CA VAL A 86 17.321 19.267 14.562 1.00 0.00 C ATOM 1345 C VAL A 86 16.131 18.369 14.234 1.00 0.00 C ATOM 1346 O VAL A 86 16.296 17.263 13.764 1.00 0.00 O ATOM 1347 CB VAL A 86 17.423 19.431 16.087 1.00 0.00 C ATOM 1348 CG1 VAL A 86 18.885 19.321 16.528 1.00 0.00 C ATOM 1349 CG2 VAL A 86 16.879 20.800 16.494 1.00 0.00 C ATOM 0 H VAL A 86 17.304 21.403 14.536 1.00 0.00 H new ATOM 0 HA VAL A 86 18.233 18.810 14.179 1.00 0.00 H new ATOM 0 HB VAL A 86 16.839 18.645 16.567 1.00 0.00 H new ATOM 0 HG11 VAL A 86 18.949 19.438 17.610 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.278 18.344 16.245 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.471 20.102 16.043 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.952 20.914 17.576 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.461 21.582 16.006 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.835 20.882 16.191 1.00 0.00 H new ATOM 1359 N SER A 87 14.938 18.823 14.481 1.00 14.12 N ATOM 1360 CA SER A 87 13.751 17.972 14.190 1.00 14.37 C ATOM 1361 C SER A 87 13.918 17.327 12.810 1.00 13.29 C ATOM 1362 O SER A 87 13.514 16.204 12.581 1.00 11.18 O ATOM 1363 CB SER A 87 12.491 18.844 14.206 1.00 13.30 C ATOM 1364 OG SER A 87 11.366 18.044 14.549 1.00 21.79 O ATOM 0 H SER A 87 14.731 19.743 14.870 1.00 14.12 H new ATOM 0 HA SER A 87 13.660 17.191 14.944 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.606 19.656 14.924 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.340 19.302 13.229 1.00 13.30 H new ATOM 0 HG SER A 87 10.560 18.601 14.561 1.00 21.79 H new ATOM 1370 N LEU A 88 14.498 18.042 11.890 1.00 0.00 N ATOM 1371 CA LEU A 88 14.692 17.500 10.514 1.00 0.00 C ATOM 1372 C LEU A 88 15.929 16.591 10.426 1.00 0.00 C ATOM 1373 O LEU A 88 15.908 15.572 9.763 1.00 0.00 O ATOM 1374 CB LEU A 88 14.834 18.672 9.549 1.00 0.00 C ATOM 1375 CG LEU A 88 13.614 19.586 9.699 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.854 20.895 8.949 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.373 18.887 9.131 1.00 0.00 C ATOM 0 H LEU A 88 14.850 18.989 12.032 1.00 0.00 H new ATOM 0 HA LEU A 88 13.827 16.891 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.749 19.226 9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.910 18.310 8.524 1.00 0.00 H new ATOM 0 HG LEU A 88 13.455 19.801 10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.984 21.542 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.731 21.394 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.019 20.684 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.507 19.539 9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.531 18.666 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.198 17.958 9.674 1.00 0.00 H new ATOM 1389 N GLN A 89 17.014 16.958 11.055 1.00 0.00 N ATOM 1390 CA GLN A 89 18.248 16.122 10.963 1.00 0.00 C ATOM 1391 C GLN A 89 17.972 14.698 11.450 1.00 0.00 C ATOM 1392 O GLN A 89 18.179 13.740 10.732 1.00 0.00 O ATOM 1393 CB GLN A 89 19.346 16.746 11.826 1.00 0.00 C ATOM 1394 CG GLN A 89 20.702 16.137 11.459 1.00 0.00 C ATOM 1395 CD GLN A 89 21.117 16.597 10.058 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.734 17.632 9.904 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.804 15.865 9.024 1.00 0.00 N ATOM 0 H GLN A 89 17.100 17.798 11.627 1.00 0.00 H new ATOM 0 HA GLN A 89 18.567 16.081 9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.369 17.825 11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.134 16.575 12.881 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.455 16.437 12.188 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.643 15.049 11.492 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.286 14.996 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.077 16.162 8.087 1.00 0.00 H new ATOM 1406 N GLN A 90 17.522 14.543 12.661 1.00 0.00 N ATOM 1407 CA GLN A 90 17.253 13.173 13.177 1.00 0.00 C ATOM 1408 C GLN A 90 16.169 12.508 12.330 1.00 0.00 C ATOM 1409 O GLN A 90 16.105 11.299 12.224 1.00 0.00 O ATOM 1410 CB GLN A 90 16.814 13.239 14.648 1.00 0.00 C ATOM 1411 CG GLN A 90 16.611 14.695 15.068 1.00 0.00 C ATOM 1412 CD GLN A 90 17.965 15.415 15.111 1.00 0.00 C ATOM 1413 OE1 GLN A 90 18.020 16.626 15.172 1.00 0.00 O ATOM 1414 NE2 GLN A 90 19.068 14.716 15.079 1.00 0.00 N ATOM 0 H GLN A 90 17.329 15.302 13.315 1.00 0.00 H new ATOM 0 HA GLN A 90 18.166 12.581 13.114 1.00 0.00 H new ATOM 0 HB2 GLN A 90 15.889 12.680 14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.567 12.770 15.282 1.00 0.00 H new ATOM 0 HG2 GLN A 90 15.944 15.196 14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.134 14.738 16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 90 19.025 13.698 15.028 1.00 0.00 H new ATOM 0 HE22 GLN A 90 19.972 15.188 15.105 1.00 0.00 H new ATOM 1423 N SER A 91 15.324 13.285 11.721 1.00 0.00 N ATOM 1424 CA SER A 91 14.250 12.689 10.875 1.00 0.00 C ATOM 1425 C SER A 91 14.834 12.313 9.512 1.00 0.00 C ATOM 1426 O SER A 91 14.339 11.438 8.831 1.00 0.00 O ATOM 1427 CB SER A 91 13.115 13.696 10.690 1.00 0.00 C ATOM 1428 OG SER A 91 12.363 13.781 11.894 1.00 0.00 O ATOM 0 H SER A 91 15.327 14.304 11.770 1.00 0.00 H new ATOM 0 HA SER A 91 13.856 11.798 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.520 14.674 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.471 13.389 9.866 1.00 0.00 H new ATOM 0 HG SER A 91 12.585 14.614 12.360 1.00 0.00 H new ATOM 1434 N GLY A 92 15.899 12.956 9.121 1.00 19.34 N ATOM 1435 CA GLY A 92 16.540 12.628 7.814 1.00 19.37 C ATOM 1436 C GLY A 92 15.928 13.466 6.688 1.00 22.29 C ATOM 1437 O GLY A 92 16.407 13.456 5.571 1.00 25.64 O ATOM 0 H GLY A 92 16.356 13.698 9.652 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.612 12.815 7.872 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.412 11.568 7.596 1.00 19.37 H new ATOM 1441 N GLU A 93 14.886 14.197 6.963 1.00 22.54 N ATOM 1442 CA GLU A 93 14.273 15.034 5.897 1.00 24.53 C ATOM 1443 C GLU A 93 15.231 16.180 5.573 1.00 23.48 C ATOM 1444 O GLU A 93 15.238 16.724 4.485 1.00 22.85 O ATOM 1445 CB GLU A 93 12.943 15.596 6.401 1.00 27.50 C ATOM 1446 CG GLU A 93 12.196 16.249 5.241 1.00 36.43 C ATOM 1447 CD GLU A 93 11.690 15.168 4.283 1.00 44.30 C ATOM 1448 OE1 GLU A 93 11.717 14.009 4.663 1.00 42.86 O ATOM 1449 OE2 GLU A 93 11.286 15.517 3.187 1.00 50.26 O ATOM 0 H GLU A 93 14.434 14.251 7.876 1.00 22.54 H new ATOM 0 HA GLU A 93 14.091 14.439 5.002 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.339 14.798 6.834 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.120 16.326 7.191 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.358 16.835 5.619 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.855 16.938 4.713 1.00 36.43 H new ATOM 1456 N LEU A 94 16.040 16.544 6.527 1.00 24.17 N ATOM 1457 CA LEU A 94 17.019 17.650 6.330 1.00 22.19 C ATOM 1458 C LEU A 94 17.983 17.324 5.190 1.00 22.62 C ATOM 1459 O LEU A 94 18.020 18.002 4.182 1.00 21.76 O ATOM 1460 CB LEU A 94 17.817 17.826 7.618 1.00 23.15 C ATOM 1461 CG LEU A 94 18.524 19.186 7.619 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.550 20.291 8.053 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.707 19.137 8.591 1.00 21.18 C ATOM 0 H LEU A 94 16.065 16.114 7.452 1.00 24.17 H new ATOM 0 HA LEU A 94 16.479 18.563 6.079 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.153 17.752 8.479 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.551 17.026 7.712 1.00 23.15 H new ATOM 0 HG LEU A 94 18.879 19.405 6.612 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.065 21.252 8.049 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.709 20.327 7.361 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.184 20.079 9.058 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.214 20.102 8.596 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.345 18.912 9.594 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.405 18.362 8.275 1.00 21.18 H new ATOM 1475 N LEU A 95 18.781 16.305 5.353 1.00 0.00 N ATOM 1476 CA LEU A 95 19.760 15.961 4.289 1.00 0.00 C ATOM 1477 C LEU A 95 19.010 15.807 2.976 1.00 0.00 C ATOM 1478 O LEU A 95 19.525 16.078 1.910 1.00 0.00 O ATOM 1479 CB LEU A 95 20.494 14.664 4.667 1.00 0.00 C ATOM 1480 CG LEU A 95 19.782 13.423 4.101 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.226 13.172 2.649 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.144 12.202 4.958 1.00 0.00 C ATOM 0 H LEU A 95 18.796 15.699 6.174 1.00 0.00 H new ATOM 0 HA LEU A 95 20.505 16.749 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.516 14.701 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.557 14.584 5.752 1.00 0.00 H new ATOM 0 HG LEU A 95 18.705 13.589 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.715 12.291 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.974 14.038 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.303 13.009 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.643 11.318 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.223 12.048 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.824 12.371 5.986 1.00 0.00 H new ATOM 1494 N THR A 96 17.783 15.404 3.053 1.00 15.75 N ATOM 1495 CA THR A 96 16.979 15.268 1.812 1.00 17.89 C ATOM 1496 C THR A 96 16.801 16.664 1.216 1.00 14.96 C ATOM 1497 O THR A 96 17.021 16.881 0.042 1.00 17.84 O ATOM 1498 CB THR A 96 15.614 14.645 2.135 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.673 13.245 1.899 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.521 15.262 1.254 1.00 28.03 C ATOM 0 H THR A 96 17.299 15.162 3.918 1.00 15.75 H new ATOM 0 HA THR A 96 17.484 14.617 1.099 1.00 17.89 H new ATOM 0 HB THR A 96 15.374 14.840 3.180 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.804 12.842 2.105 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.560 14.809 1.496 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.472 16.336 1.434 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.754 15.080 0.205 1.00 28.03 H new ATOM 1508 N ARG A 97 16.418 17.618 2.027 1.00 12.39 N ATOM 1509 CA ARG A 97 16.239 19.001 1.511 1.00 13.82 C ATOM 1510 C ARG A 97 17.562 19.439 0.891 1.00 14.98 C ATOM 1511 O ARG A 97 17.602 20.165 -0.081 1.00 16.48 O ATOM 1512 CB ARG A 97 15.864 19.934 2.671 1.00 18.70 C ATOM 1513 CG ARG A 97 15.191 21.205 2.132 1.00 27.27 C ATOM 1514 CD ARG A 97 13.682 20.978 1.999 1.00 36.05 C ATOM 1515 NE ARG A 97 13.082 22.099 1.224 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.874 21.987 0.742 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.184 20.899 0.955 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.354 22.964 0.051 1.00 40.96 N ATOM 0 H ARG A 97 16.223 17.495 3.021 1.00 12.39 H new ATOM 0 HA ARG A 97 15.444 19.039 0.766 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.191 19.420 3.358 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.757 20.199 3.238 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.384 22.042 2.803 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.615 21.469 1.163 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.488 20.030 1.498 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.223 20.917 2.986 1.00 36.05 H new ATOM 0 HE ARG A 97 13.615 22.955 1.070 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.589 20.136 1.498 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.240 20.812 0.578 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.891 23.815 -0.113 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.410 22.876 -0.326 1.00 40.96 H new ATOM 1532 N LEU A 98 18.648 18.972 1.438 1.00 12.44 N ATOM 1533 CA LEU A 98 19.977 19.312 0.878 1.00 12.45 C ATOM 1534 C LEU A 98 20.159 18.554 -0.442 1.00 14.25 C ATOM 1535 O LEU A 98 20.691 19.068 -1.405 1.00 12.19 O ATOM 1536 CB LEU A 98 21.065 18.878 1.868 1.00 13.23 C ATOM 1537 CG LEU A 98 21.260 19.940 2.955 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.074 19.928 3.922 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.541 19.630 3.733 1.00 15.05 C ATOM 0 H LEU A 98 18.668 18.364 2.257 1.00 12.44 H new ATOM 0 HA LEU A 98 20.050 20.386 0.705 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.790 17.928 2.326 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.003 18.716 1.338 1.00 13.23 H new ATOM 0 HG LEU A 98 21.331 20.922 2.487 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.223 20.687 4.690 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.156 20.142 3.375 1.00 8.88 H new ATOM 0 HD13 LEU A 98 19.997 18.947 4.391 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.687 20.382 4.509 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.458 18.645 4.193 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.392 19.642 3.052 1.00 15.05 H new ATOM 1551 N LYS A 99 19.734 17.316 -0.471 1.00 0.00 N ATOM 1552 CA LYS A 99 19.885 16.479 -1.698 1.00 0.00 C ATOM 1553 C LYS A 99 19.065 17.037 -2.868 1.00 0.00 C ATOM 1554 O LYS A 99 19.580 17.233 -3.951 1.00 0.00 O ATOM 1555 CB LYS A 99 19.416 15.052 -1.395 1.00 0.00 C ATOM 1556 CG LYS A 99 19.779 14.132 -2.565 1.00 0.00 C ATOM 1557 CD LYS A 99 19.239 12.722 -2.300 1.00 0.00 C ATOM 1558 CE LYS A 99 19.642 11.795 -3.451 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.931 10.491 -3.315 1.00 0.00 N ATOM 0 H LYS A 99 19.283 16.845 0.314 1.00 0.00 H new ATOM 0 HA LYS A 99 20.937 16.487 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.883 14.692 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.339 15.040 -1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.360 14.524 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.861 14.100 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.633 12.341 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.154 12.749 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.396 12.257 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.720 11.636 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.206 9.863 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.187 10.049 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.904 10.651 -3.344 1.00 0.00 H new ATOM 1573 N GLN A 100 17.789 17.263 -2.683 1.00 18.17 N ATOM 1574 CA GLN A 100 16.959 17.766 -3.817 1.00 18.02 C ATOM 1575 C GLN A 100 17.631 18.969 -4.489 1.00 18.05 C ATOM 1576 O GLN A 100 17.525 19.143 -5.687 1.00 19.19 O ATOM 1577 CB GLN A 100 15.551 18.148 -3.331 1.00 20.45 C ATOM 1578 CG GLN A 100 15.581 18.550 -1.854 1.00 29.25 C ATOM 1579 CD GLN A 100 14.485 19.583 -1.584 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.547 20.694 -2.070 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.474 19.259 -0.824 1.00 38.64 N ATOM 0 H GLN A 100 17.291 17.122 -1.804 1.00 18.17 H new ATOM 0 HA GLN A 100 16.868 16.965 -4.551 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.165 18.973 -3.930 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.872 17.307 -3.471 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.432 17.673 -1.224 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.556 18.964 -1.598 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.421 18.326 -0.416 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.737 19.939 -0.639 1.00 38.64 H new ATOM 1590 N ILE A 101 18.330 19.795 -3.754 1.00 0.00 N ATOM 1591 CA ILE A 101 19.002 20.962 -4.401 1.00 0.00 C ATOM 1592 C ILE A 101 20.476 20.628 -4.621 1.00 0.00 C ATOM 1593 O ILE A 101 21.156 21.256 -5.409 1.00 0.00 O ATOM 1594 CB ILE A 101 18.887 22.200 -3.509 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.489 21.904 -2.135 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.417 22.591 -3.349 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.253 23.097 -1.203 1.00 0.00 C ATOM 0 H ILE A 101 18.464 19.714 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 101 18.520 21.171 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 101 19.430 23.024 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.037 21.006 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.557 21.709 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.342 23.473 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 101 16.991 22.812 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.869 21.767 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.683 22.884 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.726 23.985 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.182 23.271 -1.099 1.00 0.00 H new ATOM 1609 N GLY A 102 20.969 19.630 -3.942 1.00 11.15 N ATOM 1610 CA GLY A 102 22.396 19.235 -4.118 1.00 12.21 C ATOM 1611 C GLY A 102 23.299 20.125 -3.266 1.00 14.73 C ATOM 1612 O GLY A 102 24.346 20.561 -3.702 1.00 18.54 O ATOM 0 H GLY A 102 20.444 19.069 -3.271 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.530 18.191 -3.834 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.677 19.318 -5.168 1.00 12.21 H new ATOM 1616 N ALA A 103 22.908 20.396 -2.055 1.00 10.84 N ATOM 1617 CA ALA A 103 23.755 21.257 -1.179 1.00 9.88 C ATOM 1618 C ALA A 103 24.820 20.399 -0.495 1.00 9.21 C ATOM 1619 O ALA A 103 25.767 20.903 0.074 1.00 7.47 O ATOM 1620 CB ALA A 103 22.882 21.928 -0.116 1.00 4.30 C ATOM 0 H ALA A 103 22.042 20.061 -1.632 1.00 10.84 H new ATOM 0 HA ALA A 103 24.238 22.023 -1.786 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.504 22.556 0.522 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.124 22.542 -0.602 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.395 21.164 0.490 1.00 4.30 H new ATOM 1626 N LEU A 104 24.675 19.104 -0.553 1.00 0.00 N ATOM 1627 CA LEU A 104 25.679 18.206 0.085 1.00 0.00 C ATOM 1628 C LEU A 104 26.711 17.776 -0.956 1.00 0.00 C ATOM 1629 O LEU A 104 26.593 18.081 -2.126 1.00 0.00 O ATOM 1630 CB LEU A 104 24.981 16.971 0.674 1.00 0.00 C ATOM 1631 CG LEU A 104 24.589 15.978 -0.431 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.772 14.838 0.182 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.742 16.681 -1.494 1.00 0.00 C ATOM 0 H LEU A 104 23.902 18.627 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 104 26.181 18.742 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.643 16.482 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.091 17.279 1.223 1.00 0.00 H new ATOM 0 HG LEU A 104 25.495 15.585 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.492 14.131 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.370 14.327 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.872 15.243 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.470 15.968 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.838 17.079 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.315 17.497 -1.934 1.00 0.00 H new ATOM 1645 N GLN A 105 27.723 17.070 -0.539 1.00 0.00 N ATOM 1646 CA GLN A 105 28.766 16.620 -1.501 1.00 0.00 C ATOM 1647 C GLN A 105 28.268 15.390 -2.262 1.00 0.00 C ATOM 1648 O GLN A 105 27.553 14.599 -1.668 1.00 0.00 O ATOM 1649 CB GLN A 105 30.041 16.267 -0.735 1.00 0.00 C ATOM 1650 CG GLN A 105 30.665 17.542 -0.163 1.00 0.00 C ATOM 1651 CD GLN A 105 32.074 17.238 0.349 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.257 16.928 1.510 1.00 0.00 O ATOM 1653 NE2 GLN A 105 33.085 17.316 -0.472 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.608 15.260 -3.426 1.00 0.00 O ATOM 0 H GLN A 105 27.873 16.784 0.429 1.00 0.00 H new ATOM 0 HA GLN A 105 28.976 17.420 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.812 15.569 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.749 15.769 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.705 18.315 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.048 17.929 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.932 17.576 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 105 34.029 17.117 -0.140 1.00 0.00 H new