USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 806 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 53 HIS : no HD1:sc= -7.83! C(o=-14!,f=-16!) USER MOD Set 1.2: A 91 HIS :FLIP no HD1:sc= -6.19! C(o=-15!,f=-14!) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.878 USER MOD Set 2.2: A 40 GLN : amide:sc= -3.05 K(o=-3.9,f=-8.2!) USER MOD Set 2.3: A 41 GLN : amide:sc= 0 X(o=-3.9,f=-3.9) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 164:sc= 0.234 (180deg=-0.0821) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0943 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.703! USER MOD Single : A 3 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.024) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -97:sc= 1.8 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0.472 (180deg=0.396) USER MOD Single : A 32 SER OG : rot 36:sc= 0.628 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -53:sc= -0.691 USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 0.234 (180deg=0.0969) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.132 (180deg=-1.17) USER MOD Single : A 56 GLN : amide:sc= -4.76! C(o=-4.8!,f=-7.3!) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00608) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.351 USER MOD Single : A 74 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.047) USER MOD Single : A 75 CYS SG : rot 84:sc= -3.5! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.756 F(o=-1.8!,f=-0.76) USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= -2.92! (180deg=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 94 MET CE :methyl -173:sc= 0 (180deg=-0.0535) USER MOD Single : A 96 ASN : amide:sc= -0.513 K(o=-0.51,f=-2.2) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 28:sc= 0.785 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.629 -5.915 16.140 1.00 0.00 N ATOM 2 CA GLY A 1 -20.266 -6.764 17.259 1.00 0.00 C ATOM 3 C GLY A 1 -20.422 -6.063 18.594 1.00 0.00 C ATOM 4 O GLY A 1 -20.960 -4.958 18.663 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.353 -6.390 15.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.006 -5.014 16.496 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.788 -5.732 15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.887 -7.660 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.233 -7.091 17.143 1.00 0.00 H new ATOM 8 N SER A 2 -19.952 -6.706 19.657 1.00 0.00 N ATOM 9 CA SER A 2 -20.046 -6.139 20.997 1.00 0.00 C ATOM 10 C SER A 2 -19.127 -4.930 21.142 1.00 0.00 C ATOM 11 O SER A 2 -17.906 -5.048 21.036 1.00 0.00 O ATOM 12 CB SER A 2 -19.690 -7.193 22.047 1.00 0.00 C ATOM 13 OG SER A 2 -18.293 -7.430 22.078 1.00 0.00 O ATOM 0 H SER A 2 -19.502 -7.620 19.617 1.00 0.00 H new ATOM 0 HA SER A 2 -21.074 -5.813 21.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.028 -6.861 23.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.215 -8.122 21.827 1.00 0.00 H new ATOM 0 HG SER A 2 -17.839 -6.783 21.498 1.00 0.00 H new ATOM 19 N SER A 3 -19.723 -3.767 21.384 1.00 0.00 N ATOM 20 CA SER A 3 -18.959 -2.534 21.539 1.00 0.00 C ATOM 21 C SER A 3 -18.372 -2.432 22.944 1.00 0.00 C ATOM 22 O SER A 3 -19.079 -2.124 23.903 1.00 0.00 O ATOM 23 CB SER A 3 -19.846 -1.320 21.255 1.00 0.00 C ATOM 24 OG SER A 3 -19.100 -0.117 21.320 1.00 0.00 O ATOM 0 H SER A 3 -20.732 -3.652 21.477 1.00 0.00 H new ATOM 0 HA SER A 3 -18.139 -2.551 20.821 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.298 -1.419 20.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.662 -1.285 21.977 1.00 0.00 H new ATOM 0 HG SER A 3 -19.689 0.644 21.133 1.00 0.00 H new ATOM 30 N GLY A 4 -17.073 -2.693 23.057 1.00 0.00 N ATOM 31 CA GLY A 4 -16.413 -2.626 24.347 1.00 0.00 C ATOM 32 C GLY A 4 -16.691 -1.325 25.074 1.00 0.00 C ATOM 33 O GLY A 4 -17.758 -1.153 25.665 1.00 0.00 O ATOM 0 H GLY A 4 -16.467 -2.950 22.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.743 -3.461 24.964 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.338 -2.738 24.208 1.00 0.00 H new ATOM 37 N SER A 5 -15.730 -0.408 25.033 1.00 0.00 N ATOM 38 CA SER A 5 -15.875 0.881 25.698 1.00 0.00 C ATOM 39 C SER A 5 -16.627 1.869 24.810 1.00 0.00 C ATOM 40 O SER A 5 -16.658 1.723 23.588 1.00 0.00 O ATOM 41 CB SER A 5 -14.502 1.449 26.061 1.00 0.00 C ATOM 42 OG SER A 5 -13.764 0.532 26.851 1.00 0.00 O ATOM 0 H SER A 5 -14.843 -0.534 24.546 1.00 0.00 H new ATOM 0 HA SER A 5 -16.450 0.728 26.611 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.948 1.678 25.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.624 2.386 26.604 1.00 0.00 H new ATOM 0 HG SER A 5 -12.890 0.917 27.069 1.00 0.00 H new ATOM 48 N SER A 6 -17.233 2.873 25.435 1.00 0.00 N ATOM 49 CA SER A 6 -17.989 3.884 24.704 1.00 0.00 C ATOM 50 C SER A 6 -17.322 4.200 23.369 1.00 0.00 C ATOM 51 O SER A 6 -16.253 4.808 23.325 1.00 0.00 O ATOM 52 CB SER A 6 -18.116 5.159 25.538 1.00 0.00 C ATOM 53 OG SER A 6 -18.763 4.899 26.772 1.00 0.00 O ATOM 0 H SER A 6 -17.215 3.008 26.446 1.00 0.00 H new ATOM 0 HA SER A 6 -18.985 3.487 24.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.126 5.576 25.724 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.678 5.908 24.980 1.00 0.00 H new ATOM 0 HG SER A 6 -18.830 5.730 27.287 1.00 0.00 H new ATOM 59 N GLY A 7 -17.962 3.782 22.280 1.00 0.00 N ATOM 60 CA GLY A 7 -17.416 4.029 20.958 1.00 0.00 C ATOM 61 C GLY A 7 -16.279 3.088 20.615 1.00 0.00 C ATOM 62 O GLY A 7 -15.193 3.528 20.238 1.00 0.00 O ATOM 0 H GLY A 7 -18.848 3.277 22.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.207 3.923 20.216 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.061 5.058 20.901 1.00 0.00 H new ATOM 66 N SER A 8 -16.528 1.789 20.746 1.00 0.00 N ATOM 67 CA SER A 8 -15.514 0.783 20.452 1.00 0.00 C ATOM 68 C SER A 8 -15.849 0.035 19.165 1.00 0.00 C ATOM 69 O SER A 8 -16.388 -1.071 19.182 1.00 0.00 O ATOM 70 CB SER A 8 -15.395 -0.206 21.613 1.00 0.00 C ATOM 71 OG SER A 8 -14.265 -1.047 21.453 1.00 0.00 O ATOM 0 H SER A 8 -17.423 1.408 21.054 1.00 0.00 H new ATOM 0 HA SER A 8 -14.560 1.292 20.319 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.316 0.340 22.553 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.299 -0.813 21.672 1.00 0.00 H new ATOM 0 HG SER A 8 -14.210 -1.669 22.209 1.00 0.00 H new ATOM 77 N PRO A 9 -15.520 0.653 18.020 1.00 0.00 N ATOM 78 CA PRO A 9 -15.775 0.065 16.702 1.00 0.00 C ATOM 79 C PRO A 9 -14.883 -1.140 16.422 1.00 0.00 C ATOM 80 O PRO A 9 -13.864 -1.335 17.083 1.00 0.00 O ATOM 81 CB PRO A 9 -15.451 1.207 15.736 1.00 0.00 C ATOM 82 CG PRO A 9 -14.486 2.067 16.476 1.00 0.00 C ATOM 83 CD PRO A 9 -14.875 1.973 17.925 1.00 0.00 C ATOM 0 HA PRO A 9 -16.794 -0.310 16.613 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.016 0.831 14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.349 1.762 15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.462 1.725 16.324 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.533 3.098 16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.006 2.044 18.580 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.556 2.775 18.211 1.00 0.00 H new ATOM 91 N ALA A 10 -15.274 -1.944 15.439 1.00 0.00 N ATOM 92 CA ALA A 10 -14.508 -3.128 15.070 1.00 0.00 C ATOM 93 C ALA A 10 -13.830 -2.944 13.716 1.00 0.00 C ATOM 94 O ALA A 10 -14.359 -2.295 12.814 1.00 0.00 O ATOM 95 CB ALA A 10 -15.408 -4.354 15.049 1.00 0.00 C ATOM 0 H ALA A 10 -16.117 -1.797 14.884 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.730 -3.275 15.819 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.822 -5.231 14.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.841 -4.505 16.038 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.207 -4.207 14.322 1.00 0.00 H new ATOM 101 N PRO A 11 -12.631 -3.526 13.570 1.00 0.00 N ATOM 102 CA PRO A 11 -11.856 -3.440 12.329 1.00 0.00 C ATOM 103 C PRO A 11 -12.490 -4.235 11.192 1.00 0.00 C ATOM 104 O PRO A 11 -13.449 -4.978 11.401 1.00 0.00 O ATOM 105 CB PRO A 11 -10.503 -4.044 12.713 1.00 0.00 C ATOM 106 CG PRO A 11 -10.804 -4.954 13.854 1.00 0.00 C ATOM 107 CD PRO A 11 -11.940 -4.315 14.604 1.00 0.00 C ATOM 0 HA PRO A 11 -11.792 -2.417 11.959 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.061 -4.588 11.878 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.791 -3.270 13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.080 -5.947 13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.932 -5.076 14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.599 -5.061 15.047 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.580 -3.684 15.417 1.00 0.00 H new ATOM 115 N VAL A 12 -11.949 -4.073 9.989 1.00 0.00 N ATOM 116 CA VAL A 12 -12.461 -4.777 8.819 1.00 0.00 C ATOM 117 C VAL A 12 -12.082 -6.253 8.857 1.00 0.00 C ATOM 118 O VAL A 12 -11.162 -6.649 9.571 1.00 0.00 O ATOM 119 CB VAL A 12 -11.931 -4.155 7.514 1.00 0.00 C ATOM 120 CG1 VAL A 12 -12.554 -2.787 7.283 1.00 0.00 C ATOM 121 CG2 VAL A 12 -10.413 -4.060 7.547 1.00 0.00 C ATOM 0 H VAL A 12 -11.156 -3.460 9.799 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.547 -4.683 8.842 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.214 -4.801 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.167 -2.363 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.637 -2.888 7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.305 -2.128 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.056 -3.618 6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.106 -3.436 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.988 -5.057 7.661 1.00 0.00 H new ATOM 131 N GLN A 13 -12.797 -7.062 8.081 1.00 0.00 N ATOM 132 CA GLN A 13 -12.536 -8.495 8.026 1.00 0.00 C ATOM 133 C GLN A 13 -11.558 -8.827 6.904 1.00 0.00 C ATOM 134 O GLN A 13 -11.361 -8.033 5.984 1.00 0.00 O ATOM 135 CB GLN A 13 -13.841 -9.266 7.826 1.00 0.00 C ATOM 136 CG GLN A 13 -14.547 -8.939 6.519 1.00 0.00 C ATOM 137 CD GLN A 13 -15.891 -9.627 6.394 1.00 0.00 C ATOM 138 OE1 GLN A 13 -15.977 -10.770 5.943 1.00 0.00 O ATOM 139 NE2 GLN A 13 -16.951 -8.934 6.792 1.00 0.00 N ATOM 0 H GLN A 13 -13.561 -6.749 7.482 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.088 -8.794 8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.630 -10.335 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.513 -9.049 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.687 -7.860 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.912 -9.235 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.834 -7.990 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.882 -9.346 6.730 1.00 0.00 H new ATOM 148 N ASP A 14 -10.949 -10.004 6.986 1.00 0.00 N ATOM 149 CA ASP A 14 -9.991 -10.442 5.976 1.00 0.00 C ATOM 150 C ASP A 14 -10.168 -11.925 5.667 1.00 0.00 C ATOM 151 O ASP A 14 -10.472 -12.736 6.543 1.00 0.00 O ATOM 152 CB ASP A 14 -8.561 -10.174 6.448 1.00 0.00 C ATOM 153 CG ASP A 14 -8.467 -8.955 7.345 1.00 0.00 C ATOM 154 OD1 ASP A 14 -8.575 -7.826 6.823 1.00 0.00 O ATOM 155 OD2 ASP A 14 -8.284 -9.130 8.568 1.00 0.00 O ATOM 0 H ASP A 14 -11.101 -10.673 7.741 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.177 -9.874 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.189 -11.046 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.915 -10.034 5.581 1.00 0.00 H new ATOM 160 N PRO A 15 -9.976 -12.291 4.390 1.00 0.00 N ATOM 161 CA PRO A 15 -10.109 -13.678 3.936 1.00 0.00 C ATOM 162 C PRO A 15 -8.991 -14.571 4.463 1.00 0.00 C ATOM 163 O PRO A 15 -9.104 -15.152 5.543 1.00 0.00 O ATOM 164 CB PRO A 15 -10.027 -13.561 2.412 1.00 0.00 C ATOM 165 CG PRO A 15 -9.255 -12.310 2.169 1.00 0.00 C ATOM 166 CD PRO A 15 -9.612 -11.378 3.294 1.00 0.00 C ATOM 0 HA PRO A 15 -11.031 -14.137 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.528 -14.426 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.020 -13.507 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.184 -12.510 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.513 -11.874 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.773 -10.737 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.440 -10.722 3.025 1.00 0.00 H new ATOM 174 N HIS A 16 -7.912 -14.676 3.694 1.00 0.00 N ATOM 175 CA HIS A 16 -6.772 -15.498 4.085 1.00 0.00 C ATOM 176 C HIS A 16 -5.540 -14.634 4.337 1.00 0.00 C ATOM 177 O HIS A 16 -4.414 -15.133 4.364 1.00 0.00 O ATOM 178 CB HIS A 16 -6.469 -16.535 3.002 1.00 0.00 C ATOM 179 CG HIS A 16 -7.533 -17.580 2.859 1.00 0.00 C ATOM 180 ND1 HIS A 16 -7.273 -18.932 2.929 1.00 0.00 N ATOM 181 CD2 HIS A 16 -8.865 -17.464 2.651 1.00 0.00 C ATOM 182 CE1 HIS A 16 -8.399 -19.603 2.768 1.00 0.00 C ATOM 183 NE2 HIS A 16 -9.381 -18.736 2.597 1.00 0.00 N ATOM 0 H HIS A 16 -7.803 -14.203 2.797 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.028 -16.014 5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.342 -16.025 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.521 -17.022 3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.419 -16.543 2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.500 -20.678 2.775 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.362 -18.972 2.449 1.00 0.00 H new ATOM 192 N LEU A 17 -5.761 -13.337 4.521 1.00 0.00 N ATOM 193 CA LEU A 17 -4.669 -12.403 4.771 1.00 0.00 C ATOM 194 C LEU A 17 -3.706 -12.958 5.816 1.00 0.00 C ATOM 195 O LEU A 17 -3.999 -12.949 7.012 1.00 0.00 O ATOM 196 CB LEU A 17 -5.221 -11.055 5.236 1.00 0.00 C ATOM 197 CG LEU A 17 -4.403 -9.823 4.843 1.00 0.00 C ATOM 198 CD1 LEU A 17 -2.947 -10.001 5.242 1.00 0.00 C ATOM 199 CD2 LEU A 17 -4.521 -9.559 3.349 1.00 0.00 C ATOM 0 H LEU A 17 -6.686 -12.908 4.502 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.123 -12.263 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.229 -10.940 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.310 -11.076 6.322 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.802 -8.960 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.380 -9.115 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.880 -10.141 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.535 -10.875 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.933 -8.679 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.149 -10.422 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.566 -9.387 3.091 1.00 0.00 H new ATOM 211 N ILE A 18 -2.555 -13.438 5.356 1.00 0.00 N ATOM 212 CA ILE A 18 -1.548 -13.994 6.252 1.00 0.00 C ATOM 213 C ILE A 18 -0.405 -13.009 6.472 1.00 0.00 C ATOM 214 O ILE A 18 -0.367 -11.939 5.865 1.00 0.00 O ATOM 215 CB ILE A 18 -0.974 -15.314 5.703 1.00 0.00 C ATOM 216 CG1 ILE A 18 -0.458 -15.117 4.277 1.00 0.00 C ATOM 217 CG2 ILE A 18 -2.031 -16.408 5.744 1.00 0.00 C ATOM 218 CD1 ILE A 18 0.621 -16.102 3.883 1.00 0.00 C ATOM 0 H ILE A 18 -2.297 -13.453 4.369 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.044 -14.190 7.202 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.138 -15.620 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.293 -15.207 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.068 -14.104 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.611 -17.335 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.355 -16.562 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.885 -16.112 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.939 -15.903 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.473 -15.997 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.229 -17.117 3.950 1.00 0.00 H new ATOM 230 N LYS A 19 0.526 -13.378 7.345 1.00 0.00 N ATOM 231 CA LYS A 19 1.674 -12.529 7.645 1.00 0.00 C ATOM 232 C LYS A 19 2.952 -13.112 7.051 1.00 0.00 C ATOM 233 O LYS A 19 3.138 -14.329 7.025 1.00 0.00 O ATOM 234 CB LYS A 19 1.830 -12.365 9.158 1.00 0.00 C ATOM 235 CG LYS A 19 2.877 -11.338 9.553 1.00 0.00 C ATOM 236 CD LYS A 19 4.259 -11.962 9.660 1.00 0.00 C ATOM 237 CE LYS A 19 4.414 -12.754 10.949 1.00 0.00 C ATOM 238 NZ LYS A 19 5.701 -13.503 10.988 1.00 0.00 N ATOM 0 H LYS A 19 0.508 -14.260 7.858 1.00 0.00 H new ATOM 0 HA LYS A 19 1.499 -11.551 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.870 -12.075 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.095 -13.328 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.896 -10.535 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.605 -10.889 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.431 -12.617 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.017 -11.180 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.363 -12.076 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.584 -13.453 11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.898 -13.804 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.634 -14.340 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.470 -12.889 10.653 1.00 0.00 H new ATOM 252 N VAL A 20 3.831 -12.236 6.575 1.00 0.00 N ATOM 253 CA VAL A 20 5.093 -12.664 5.984 1.00 0.00 C ATOM 254 C VAL A 20 6.232 -11.735 6.388 1.00 0.00 C ATOM 255 O VAL A 20 6.184 -10.529 6.138 1.00 0.00 O ATOM 256 CB VAL A 20 5.005 -12.713 4.447 1.00 0.00 C ATOM 257 CG1 VAL A 20 6.380 -12.949 3.841 1.00 0.00 C ATOM 258 CG2 VAL A 20 4.026 -13.789 4.004 1.00 0.00 C ATOM 0 H VAL A 20 3.692 -11.226 6.587 1.00 0.00 H new ATOM 0 HA VAL A 20 5.295 -13.667 6.361 1.00 0.00 H new ATOM 0 HB VAL A 20 4.638 -11.751 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.298 -12.981 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.049 -12.139 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.779 -13.897 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.976 -13.810 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.361 -14.759 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.038 -13.570 4.408 1.00 0.00 H new ATOM 268 N THR A 21 7.259 -12.302 7.013 1.00 0.00 N ATOM 269 CA THR A 21 8.411 -11.525 7.453 1.00 0.00 C ATOM 270 C THR A 21 9.524 -11.555 6.411 1.00 0.00 C ATOM 271 O THR A 21 10.013 -12.622 6.041 1.00 0.00 O ATOM 272 CB THR A 21 8.963 -12.048 8.792 1.00 0.00 C ATOM 273 OG1 THR A 21 8.037 -11.766 9.847 1.00 0.00 O ATOM 274 CG2 THR A 21 10.309 -11.412 9.108 1.00 0.00 C ATOM 0 H THR A 21 7.316 -13.298 7.226 1.00 0.00 H new ATOM 0 HA THR A 21 8.068 -10.499 7.586 1.00 0.00 H new ATOM 0 HB THR A 21 9.099 -13.126 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.395 -12.103 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.679 -11.797 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.020 -11.653 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.194 -10.330 9.175 1.00 0.00 H new ATOM 282 N VAL A 22 9.920 -10.376 5.941 1.00 0.00 N ATOM 283 CA VAL A 22 10.977 -10.267 4.943 1.00 0.00 C ATOM 284 C VAL A 22 12.340 -10.092 5.603 1.00 0.00 C ATOM 285 O VAL A 22 12.626 -9.053 6.198 1.00 0.00 O ATOM 286 CB VAL A 22 10.726 -9.085 3.987 1.00 0.00 C ATOM 287 CG1 VAL A 22 11.771 -9.061 2.882 1.00 0.00 C ATOM 288 CG2 VAL A 22 9.323 -9.160 3.404 1.00 0.00 C ATOM 0 H VAL A 22 9.524 -9.483 6.236 1.00 0.00 H new ATOM 0 HA VAL A 22 10.970 -11.195 4.371 1.00 0.00 H new ATOM 0 HB VAL A 22 10.810 -8.158 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.578 -8.220 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.763 -8.956 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.722 -9.991 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.163 -8.317 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.208 -10.093 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.591 -9.124 4.211 1.00 0.00 H new ATOM 298 N LYS A 23 13.179 -11.116 5.493 1.00 0.00 N ATOM 299 CA LYS A 23 14.515 -11.078 6.077 1.00 0.00 C ATOM 300 C LYS A 23 15.550 -10.656 5.039 1.00 0.00 C ATOM 301 O LYS A 23 15.882 -11.419 4.132 1.00 0.00 O ATOM 302 CB LYS A 23 14.882 -12.447 6.652 1.00 0.00 C ATOM 303 CG LYS A 23 14.537 -12.601 8.123 1.00 0.00 C ATOM 304 CD LYS A 23 15.505 -13.537 8.828 1.00 0.00 C ATOM 305 CE LYS A 23 16.725 -12.790 9.345 1.00 0.00 C ATOM 306 NZ LYS A 23 17.497 -13.600 10.328 1.00 0.00 N ATOM 0 H LYS A 23 12.957 -11.983 5.004 1.00 0.00 H new ATOM 0 HA LYS A 23 14.512 -10.343 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.366 -13.221 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.951 -12.613 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.557 -11.624 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.522 -12.985 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.998 -14.028 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.821 -14.321 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.370 -12.524 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.409 -11.857 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.320 -13.056 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.890 -13.832 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.821 -14.479 9.876 1.00 0.00 H new ATOM 320 N THR A 24 16.060 -9.436 5.180 1.00 0.00 N ATOM 321 CA THR A 24 17.058 -8.913 4.255 1.00 0.00 C ATOM 322 C THR A 24 18.406 -8.736 4.944 1.00 0.00 C ATOM 323 O THR A 24 18.493 -8.592 6.164 1.00 0.00 O ATOM 324 CB THR A 24 16.618 -7.563 3.658 1.00 0.00 C ATOM 325 OG1 THR A 24 17.149 -6.486 4.439 1.00 0.00 O ATOM 326 CG2 THR A 24 15.101 -7.461 3.610 1.00 0.00 C ATOM 0 H THR A 24 15.798 -8.792 5.926 1.00 0.00 H new ATOM 0 HA THR A 24 17.157 -9.642 3.451 1.00 0.00 H new ATOM 0 HB THR A 24 17.003 -7.498 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.472 -6.180 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.814 -6.499 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.702 -8.265 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.699 -7.546 4.619 1.00 0.00 H new ATOM 334 N PRO A 25 19.485 -8.747 4.147 1.00 0.00 N ATOM 335 CA PRO A 25 20.849 -8.587 4.658 1.00 0.00 C ATOM 336 C PRO A 25 21.116 -7.174 5.166 1.00 0.00 C ATOM 337 O PRO A 25 22.236 -6.845 5.557 1.00 0.00 O ATOM 338 CB PRO A 25 21.723 -8.891 3.439 1.00 0.00 C ATOM 339 CG PRO A 25 20.860 -8.577 2.266 1.00 0.00 C ATOM 340 CD PRO A 25 19.455 -8.914 2.684 1.00 0.00 C ATOM 0 HA PRO A 25 21.043 -9.237 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 25 22.628 -8.283 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 25 22.040 -9.934 3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 25 20.944 -7.526 1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 25 21.158 -9.160 1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.727 -8.250 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.185 -9.931 2.401 1.00 0.00 H new ATOM 348 N LYS A 26 20.081 -6.342 5.159 1.00 0.00 N ATOM 349 CA LYS A 26 20.202 -4.964 5.620 1.00 0.00 C ATOM 350 C LYS A 26 19.168 -4.659 6.699 1.00 0.00 C ATOM 351 O LYS A 26 19.373 -3.780 7.537 1.00 0.00 O ATOM 352 CB LYS A 26 20.032 -3.995 4.448 1.00 0.00 C ATOM 353 CG LYS A 26 21.024 -4.225 3.321 1.00 0.00 C ATOM 354 CD LYS A 26 22.421 -3.764 3.705 1.00 0.00 C ATOM 355 CE LYS A 26 23.482 -4.411 2.828 1.00 0.00 C ATOM 356 NZ LYS A 26 23.338 -4.015 1.400 1.00 0.00 N ATOM 0 H LYS A 26 19.147 -6.598 4.839 1.00 0.00 H new ATOM 0 HA LYS A 26 21.197 -4.836 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.020 -4.088 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.140 -2.974 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.047 -5.284 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.695 -3.689 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 26 22.485 -2.680 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 26 22.612 -4.009 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 26 24.472 -4.127 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 26 23.412 -5.495 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 24.109 -4.436 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 22.424 -4.353 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 23.380 -2.979 1.321 1.00 0.00 H new ATOM 370 N ASP A 27 18.060 -5.390 6.674 1.00 0.00 N ATOM 371 CA ASP A 27 16.995 -5.199 7.652 1.00 0.00 C ATOM 372 C ASP A 27 15.890 -6.233 7.462 1.00 0.00 C ATOM 373 O ASP A 27 15.922 -7.026 6.520 1.00 0.00 O ATOM 374 CB ASP A 27 16.416 -3.788 7.539 1.00 0.00 C ATOM 375 CG ASP A 27 17.136 -2.793 8.428 1.00 0.00 C ATOM 376 OD1 ASP A 27 17.317 -3.092 9.628 1.00 0.00 O ATOM 377 OD2 ASP A 27 17.520 -1.717 7.925 1.00 0.00 O ATOM 0 H ASP A 27 17.875 -6.121 5.987 1.00 0.00 H new ATOM 0 HA ASP A 27 17.422 -5.329 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.477 -3.455 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.359 -3.810 7.805 1.00 0.00 H new ATOM 382 N LYS A 28 14.912 -6.219 8.362 1.00 0.00 N ATOM 383 CA LYS A 28 13.796 -7.154 8.293 1.00 0.00 C ATOM 384 C LYS A 28 12.500 -6.488 8.743 1.00 0.00 C ATOM 385 O LYS A 28 12.476 -5.765 9.739 1.00 0.00 O ATOM 386 CB LYS A 28 14.079 -8.382 9.162 1.00 0.00 C ATOM 387 CG LYS A 28 13.763 -8.172 10.633 1.00 0.00 C ATOM 388 CD LYS A 28 12.333 -8.571 10.958 1.00 0.00 C ATOM 389 CE LYS A 28 11.772 -7.747 12.107 1.00 0.00 C ATOM 390 NZ LYS A 28 10.742 -8.498 12.877 1.00 0.00 N ATOM 0 H LYS A 28 14.870 -5.570 9.148 1.00 0.00 H new ATOM 0 HA LYS A 28 13.681 -7.469 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.494 -9.223 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.129 -8.655 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.452 -8.757 11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.918 -7.125 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.708 -8.439 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.299 -9.629 11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.583 -7.455 12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.335 -6.828 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.532 -7.992 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.874 -8.578 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.099 -9.449 13.099 1.00 0.00 H new ATOM 404 N GLU A 29 11.424 -6.737 8.004 1.00 0.00 N ATOM 405 CA GLU A 29 10.124 -6.161 8.328 1.00 0.00 C ATOM 406 C GLU A 29 9.004 -7.166 8.075 1.00 0.00 C ATOM 407 O GLU A 29 9.110 -8.020 7.194 1.00 0.00 O ATOM 408 CB GLU A 29 9.883 -4.894 7.505 1.00 0.00 C ATOM 409 CG GLU A 29 8.993 -3.877 8.199 1.00 0.00 C ATOM 410 CD GLU A 29 9.454 -3.566 9.610 1.00 0.00 C ATOM 411 OE1 GLU A 29 10.602 -3.098 9.769 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.669 -3.790 10.554 1.00 0.00 O ATOM 0 H GLU A 29 11.427 -7.334 7.177 1.00 0.00 H new ATOM 0 HA GLU A 29 10.124 -5.903 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.843 -4.430 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.430 -5.170 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.975 -2.957 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.971 -4.255 8.229 1.00 0.00 H new ATOM 419 N ASP A 30 7.933 -7.059 8.854 1.00 0.00 N ATOM 420 CA ASP A 30 6.794 -7.957 8.714 1.00 0.00 C ATOM 421 C ASP A 30 5.758 -7.378 7.755 1.00 0.00 C ATOM 422 O ASP A 30 5.534 -6.167 7.725 1.00 0.00 O ATOM 423 CB ASP A 30 6.153 -8.219 10.078 1.00 0.00 C ATOM 424 CG ASP A 30 7.148 -8.102 11.217 1.00 0.00 C ATOM 425 OD1 ASP A 30 8.281 -8.604 11.068 1.00 0.00 O ATOM 426 OD2 ASP A 30 6.792 -7.507 12.255 1.00 0.00 O ATOM 0 H ASP A 30 7.830 -6.359 9.589 1.00 0.00 H new ATOM 0 HA ASP A 30 7.156 -8.900 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.339 -7.511 10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.713 -9.216 10.084 1.00 0.00 H new ATOM 431 N PHE A 31 5.131 -8.249 6.972 1.00 0.00 N ATOM 432 CA PHE A 31 4.121 -7.823 6.010 1.00 0.00 C ATOM 433 C PHE A 31 2.843 -8.642 6.165 1.00 0.00 C ATOM 434 O PHE A 31 2.841 -9.694 6.804 1.00 0.00 O ATOM 435 CB PHE A 31 4.657 -7.959 4.583 1.00 0.00 C ATOM 436 CG PHE A 31 5.725 -6.958 4.246 1.00 0.00 C ATOM 437 CD1 PHE A 31 7.003 -7.089 4.764 1.00 0.00 C ATOM 438 CD2 PHE A 31 5.451 -5.887 3.411 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.988 -6.170 4.456 1.00 0.00 C ATOM 440 CE2 PHE A 31 6.432 -4.965 3.099 1.00 0.00 C ATOM 441 CZ PHE A 31 7.702 -5.107 3.622 1.00 0.00 C ATOM 0 H PHE A 31 5.304 -9.254 6.984 1.00 0.00 H new ATOM 0 HA PHE A 31 3.887 -6.776 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.057 -8.964 4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.831 -7.847 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.232 -7.919 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.459 -5.771 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.980 -6.283 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.206 -4.134 2.447 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.470 -4.388 3.379 1.00 0.00 H new ATOM 451 N SER A 32 1.757 -8.149 5.578 1.00 0.00 N ATOM 452 CA SER A 32 0.471 -8.832 5.654 1.00 0.00 C ATOM 453 C SER A 32 -0.184 -8.913 4.279 1.00 0.00 C ATOM 454 O SER A 32 -0.573 -7.896 3.703 1.00 0.00 O ATOM 455 CB SER A 32 -0.457 -8.108 6.632 1.00 0.00 C ATOM 456 OG SER A 32 -0.701 -6.776 6.212 1.00 0.00 O ATOM 0 H SER A 32 1.742 -7.280 5.045 1.00 0.00 H new ATOM 0 HA SER A 32 0.647 -9.846 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.401 -8.647 6.709 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.010 -8.103 7.626 1.00 0.00 H new ATOM 0 HG SER A 32 -0.747 -6.745 5.234 1.00 0.00 H new ATOM 462 N VAL A 33 -0.302 -10.129 3.757 1.00 0.00 N ATOM 463 CA VAL A 33 -0.910 -10.345 2.449 1.00 0.00 C ATOM 464 C VAL A 33 -1.605 -11.700 2.383 1.00 0.00 C ATOM 465 O VAL A 33 -1.294 -12.609 3.154 1.00 0.00 O ATOM 466 CB VAL A 33 0.138 -10.262 1.322 1.00 0.00 C ATOM 467 CG1 VAL A 33 0.617 -8.830 1.142 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.306 -11.192 1.613 1.00 0.00 C ATOM 0 H VAL A 33 0.016 -10.981 4.220 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.647 -9.555 2.308 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.329 -10.582 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.356 -8.792 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.229 -8.193 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.068 -8.478 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.037 -11.121 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.774 -10.904 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.945 -12.218 1.686 1.00 0.00 H new ATOM 478 N THR A 34 -2.550 -11.830 1.456 1.00 0.00 N ATOM 479 CA THR A 34 -3.291 -13.073 1.289 1.00 0.00 C ATOM 480 C THR A 34 -2.402 -14.170 0.714 1.00 0.00 C ATOM 481 O THR A 34 -1.583 -13.919 -0.170 1.00 0.00 O ATOM 482 CB THR A 34 -4.511 -12.881 0.368 1.00 0.00 C ATOM 483 OG1 THR A 34 -4.190 -11.966 -0.685 1.00 0.00 O ATOM 484 CG2 THR A 34 -5.705 -12.360 1.154 1.00 0.00 C ATOM 0 H THR A 34 -2.820 -11.088 0.810 1.00 0.00 H new ATOM 0 HA THR A 34 -3.636 -13.370 2.279 1.00 0.00 H new ATOM 0 HB THR A 34 -4.772 -13.849 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.970 -11.851 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.554 -12.232 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.965 -13.073 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.452 -11.401 1.606 1.00 0.00 H new ATOM 492 N ASP A 35 -2.568 -15.387 1.221 1.00 0.00 N ATOM 493 CA ASP A 35 -1.782 -16.523 0.756 1.00 0.00 C ATOM 494 C ASP A 35 -1.858 -16.652 -0.762 1.00 0.00 C ATOM 495 O ASP A 35 -0.911 -17.102 -1.407 1.00 0.00 O ATOM 496 CB ASP A 35 -2.271 -17.813 1.416 1.00 0.00 C ATOM 497 CG ASP A 35 -3.593 -18.289 0.846 1.00 0.00 C ATOM 498 OD1 ASP A 35 -3.667 -18.506 -0.381 1.00 0.00 O ATOM 499 OD2 ASP A 35 -4.555 -18.444 1.628 1.00 0.00 O ATOM 0 H ASP A 35 -3.240 -15.612 1.954 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.742 -16.353 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.520 -18.592 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.378 -17.651 2.489 1.00 0.00 H new ATOM 504 N THR A 36 -2.994 -16.255 -1.328 1.00 0.00 N ATOM 505 CA THR A 36 -3.196 -16.329 -2.770 1.00 0.00 C ATOM 506 C THR A 36 -2.291 -15.345 -3.502 1.00 0.00 C ATOM 507 O THR A 36 -1.993 -15.522 -4.684 1.00 0.00 O ATOM 508 CB THR A 36 -4.661 -16.040 -3.147 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.871 -16.313 -4.537 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.021 -14.592 -2.849 1.00 0.00 C ATOM 0 H THR A 36 -3.788 -15.879 -0.810 1.00 0.00 H new ATOM 0 HA THR A 36 -2.944 -17.345 -3.073 1.00 0.00 H new ATOM 0 HB THR A 36 -5.302 -16.687 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.805 -16.128 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.060 -14.412 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.887 -14.395 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.374 -13.930 -3.425 1.00 0.00 H new ATOM 518 N CYS A 37 -1.855 -14.309 -2.794 1.00 0.00 N ATOM 519 CA CYS A 37 -0.983 -13.295 -3.378 1.00 0.00 C ATOM 520 C CYS A 37 0.199 -13.942 -4.093 1.00 0.00 C ATOM 521 O CYS A 37 0.687 -14.995 -3.682 1.00 0.00 O ATOM 522 CB CYS A 37 -0.480 -12.341 -2.294 1.00 0.00 C ATOM 523 SG CYS A 37 0.605 -11.031 -2.910 1.00 0.00 S ATOM 0 H CYS A 37 -2.091 -14.149 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.561 -12.730 -4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.338 -11.885 -1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.055 -12.916 -1.538 1.00 0.00 H new ATOM 0 HG CYS A 37 1.579 -11.558 -3.591 1.00 0.00 H new ATOM 529 N THR A 38 0.654 -13.305 -5.167 1.00 0.00 N ATOM 530 CA THR A 38 1.777 -13.819 -5.941 1.00 0.00 C ATOM 531 C THR A 38 3.088 -13.178 -5.501 1.00 0.00 C ATOM 532 O THR A 38 3.093 -12.109 -4.891 1.00 0.00 O ATOM 533 CB THR A 38 1.579 -13.572 -7.449 1.00 0.00 C ATOM 534 OG1 THR A 38 0.893 -12.333 -7.657 1.00 0.00 O ATOM 535 CG2 THR A 38 0.791 -14.708 -8.084 1.00 0.00 C ATOM 0 H THR A 38 0.262 -12.432 -5.521 1.00 0.00 H new ATOM 0 HA THR A 38 1.822 -14.893 -5.758 1.00 0.00 H new ATOM 0 HB THR A 38 2.561 -13.525 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.773 -12.183 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.664 -14.512 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.331 -15.645 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.187 -14.782 -7.609 1.00 0.00 H new ATOM 543 N ILE A 39 4.198 -13.838 -5.814 1.00 0.00 N ATOM 544 CA ILE A 39 5.516 -13.331 -5.451 1.00 0.00 C ATOM 545 C ILE A 39 5.749 -11.941 -6.033 1.00 0.00 C ATOM 546 O ILE A 39 6.215 -11.038 -5.340 1.00 0.00 O ATOM 547 CB ILE A 39 6.634 -14.273 -5.935 1.00 0.00 C ATOM 548 CG1 ILE A 39 6.391 -15.694 -5.423 1.00 0.00 C ATOM 549 CG2 ILE A 39 7.992 -13.763 -5.475 1.00 0.00 C ATOM 550 CD1 ILE A 39 6.257 -15.780 -3.919 1.00 0.00 C ATOM 0 H ILE A 39 4.211 -14.725 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 39 5.545 -13.276 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 39 6.625 -14.294 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.485 -16.087 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.214 -16.333 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.772 -14.439 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.164 -12.768 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.013 -13.716 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.086 -16.816 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.172 -15.417 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.416 -15.168 -3.593 1.00 0.00 H new ATOM 562 N GLN A 40 5.420 -11.778 -7.310 1.00 0.00 N ATOM 563 CA GLN A 40 5.593 -10.497 -7.986 1.00 0.00 C ATOM 564 C GLN A 40 4.778 -9.406 -7.300 1.00 0.00 C ATOM 565 O GLN A 40 5.215 -8.259 -7.206 1.00 0.00 O ATOM 566 CB GLN A 40 5.180 -10.611 -9.454 1.00 0.00 C ATOM 567 CG GLN A 40 3.692 -10.847 -9.652 1.00 0.00 C ATOM 568 CD GLN A 40 2.907 -9.555 -9.767 1.00 0.00 C ATOM 569 OE1 GLN A 40 1.906 -9.359 -9.076 1.00 0.00 O ATOM 570 NE2 GLN A 40 3.357 -8.664 -10.643 1.00 0.00 N ATOM 0 H GLN A 40 5.032 -12.516 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 40 6.647 -10.226 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.467 -9.698 -9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.733 -11.429 -9.916 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.539 -11.442 -10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.306 -11.429 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.190 -8.867 -11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.869 -7.776 -10.764 1.00 0.00 H new ATOM 579 N GLN A 41 3.593 -9.771 -6.822 1.00 0.00 N ATOM 580 CA GLN A 41 2.717 -8.821 -6.146 1.00 0.00 C ATOM 581 C GLN A 41 3.404 -8.222 -4.923 1.00 0.00 C ATOM 582 O GLN A 41 3.324 -7.017 -4.681 1.00 0.00 O ATOM 583 CB GLN A 41 1.414 -9.505 -5.728 1.00 0.00 C ATOM 584 CG GLN A 41 0.303 -9.378 -6.758 1.00 0.00 C ATOM 585 CD GLN A 41 -1.077 -9.524 -6.148 1.00 0.00 C ATOM 586 OE1 GLN A 41 -1.628 -8.572 -5.595 1.00 0.00 O ATOM 587 NE2 GLN A 41 -1.645 -10.720 -6.247 1.00 0.00 N ATOM 0 H GLN A 41 3.217 -10.717 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 41 2.489 -8.015 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.610 -10.562 -5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.075 -9.077 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.378 -8.408 -7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.438 -10.137 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.152 -11.481 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.574 -10.877 -5.856 1.00 0.00 H new ATOM 596 N LEU A 42 4.081 -9.069 -4.156 1.00 0.00 N ATOM 597 CA LEU A 42 4.783 -8.624 -2.958 1.00 0.00 C ATOM 598 C LEU A 42 5.944 -7.703 -3.318 1.00 0.00 C ATOM 599 O LEU A 42 6.172 -6.686 -2.661 1.00 0.00 O ATOM 600 CB LEU A 42 5.298 -9.827 -2.167 1.00 0.00 C ATOM 601 CG LEU A 42 5.938 -9.517 -0.813 1.00 0.00 C ATOM 602 CD1 LEU A 42 4.921 -8.887 0.126 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.523 -10.780 -0.198 1.00 0.00 C ATOM 0 H LEU A 42 4.159 -10.069 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 42 4.079 -8.067 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.466 -10.513 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.030 -10.353 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 42 6.748 -8.804 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.394 -8.673 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.549 -7.960 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.090 -9.576 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.974 -10.541 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.731 -11.515 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.283 -11.190 -0.863 1.00 0.00 H new ATOM 615 N LYS A 43 6.675 -8.064 -4.367 1.00 0.00 N ATOM 616 CA LYS A 43 7.812 -7.270 -4.818 1.00 0.00 C ATOM 617 C LYS A 43 7.447 -5.790 -4.891 1.00 0.00 C ATOM 618 O LYS A 43 8.186 -4.935 -4.404 1.00 0.00 O ATOM 619 CB LYS A 43 8.288 -7.756 -6.189 1.00 0.00 C ATOM 620 CG LYS A 43 8.612 -9.240 -6.229 1.00 0.00 C ATOM 621 CD LYS A 43 10.070 -9.502 -5.892 1.00 0.00 C ATOM 622 CE LYS A 43 10.476 -10.926 -6.243 1.00 0.00 C ATOM 623 NZ LYS A 43 10.949 -11.037 -7.651 1.00 0.00 N ATOM 0 H LYS A 43 6.500 -8.902 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 43 8.619 -7.393 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.517 -7.541 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.174 -7.191 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.973 -9.772 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.390 -9.635 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.702 -8.798 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.236 -9.327 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.266 -11.255 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.628 -11.593 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.846 -12.020 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.383 -10.410 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.950 -10.758 -7.704 1.00 0.00 H new ATOM 637 N GLU A 44 6.303 -5.497 -5.501 1.00 0.00 N ATOM 638 CA GLU A 44 5.841 -4.121 -5.636 1.00 0.00 C ATOM 639 C GLU A 44 5.579 -3.498 -4.268 1.00 0.00 C ATOM 640 O GLU A 44 5.668 -2.282 -4.101 1.00 0.00 O ATOM 641 CB GLU A 44 4.569 -4.067 -6.485 1.00 0.00 C ATOM 642 CG GLU A 44 4.707 -4.753 -7.833 1.00 0.00 C ATOM 643 CD GLU A 44 3.385 -4.873 -8.565 1.00 0.00 C ATOM 644 OE1 GLU A 44 2.404 -5.339 -7.949 1.00 0.00 O ATOM 645 OE2 GLU A 44 3.331 -4.499 -9.756 1.00 0.00 O ATOM 0 H GLU A 44 5.680 -6.194 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 44 6.625 -3.549 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.753 -4.532 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.292 -3.025 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.410 -4.194 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.130 -5.747 -7.689 1.00 0.00 H new ATOM 652 N GLU A 45 5.255 -4.341 -3.292 1.00 0.00 N ATOM 653 CA GLU A 45 4.979 -3.873 -1.939 1.00 0.00 C ATOM 654 C GLU A 45 6.275 -3.565 -1.195 1.00 0.00 C ATOM 655 O GLU A 45 6.514 -2.427 -0.788 1.00 0.00 O ATOM 656 CB GLU A 45 4.172 -4.921 -1.168 1.00 0.00 C ATOM 657 CG GLU A 45 2.744 -5.074 -1.663 1.00 0.00 C ATOM 658 CD GLU A 45 2.055 -3.741 -1.880 1.00 0.00 C ATOM 659 OE1 GLU A 45 1.613 -3.133 -0.882 1.00 0.00 O ATOM 660 OE2 GLU A 45 1.958 -3.305 -3.046 1.00 0.00 O ATOM 0 H GLU A 45 5.177 -5.351 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 45 4.395 -2.956 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.678 -5.884 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.155 -4.650 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.746 -5.634 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.174 -5.660 -0.942 1.00 0.00 H new ATOM 667 N ILE A 46 7.108 -4.585 -1.021 1.00 0.00 N ATOM 668 CA ILE A 46 8.379 -4.424 -0.327 1.00 0.00 C ATOM 669 C ILE A 46 9.275 -3.422 -1.047 1.00 0.00 C ATOM 670 O ILE A 46 10.291 -2.983 -0.509 1.00 0.00 O ATOM 671 CB ILE A 46 9.126 -5.765 -0.200 1.00 0.00 C ATOM 672 CG1 ILE A 46 8.847 -6.646 -1.419 1.00 0.00 C ATOM 673 CG2 ILE A 46 8.718 -6.478 1.081 1.00 0.00 C ATOM 674 CD1 ILE A 46 9.847 -7.768 -1.595 1.00 0.00 C ATOM 0 H ILE A 46 6.925 -5.533 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 46 8.148 -4.051 0.671 1.00 0.00 H new ATOM 0 HB ILE A 46 10.197 -5.566 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.848 -7.072 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.849 -6.025 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.254 -7.424 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.962 -5.852 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.645 -6.669 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.587 -8.352 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.846 -7.349 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.829 -8.413 -0.716 1.00 0.00 H new ATOM 686 N SER A 47 8.891 -3.064 -2.268 1.00 0.00 N ATOM 687 CA SER A 47 9.660 -2.115 -3.064 1.00 0.00 C ATOM 688 C SER A 47 9.758 -0.766 -2.358 1.00 0.00 C ATOM 689 O SER A 47 10.819 -0.142 -2.334 1.00 0.00 O ATOM 690 CB SER A 47 9.020 -1.936 -4.442 1.00 0.00 C ATOM 691 OG SER A 47 9.274 -0.640 -4.958 1.00 0.00 O ATOM 0 H SER A 47 8.052 -3.417 -2.728 1.00 0.00 H new ATOM 0 HA SER A 47 10.666 -2.515 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.411 -2.687 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.944 -2.098 -4.371 1.00 0.00 H new ATOM 0 HG SER A 47 8.856 -0.551 -5.840 1.00 0.00 H new ATOM 697 N GLN A 48 8.644 -0.324 -1.783 1.00 0.00 N ATOM 698 CA GLN A 48 8.604 0.950 -1.076 1.00 0.00 C ATOM 699 C GLN A 48 9.126 0.799 0.349 1.00 0.00 C ATOM 700 O GLN A 48 9.821 1.676 0.863 1.00 0.00 O ATOM 701 CB GLN A 48 7.177 1.500 -1.053 1.00 0.00 C ATOM 702 CG GLN A 48 6.227 0.693 -0.183 1.00 0.00 C ATOM 703 CD GLN A 48 4.799 0.728 -0.690 1.00 0.00 C ATOM 704 OE1 GLN A 48 4.233 1.798 -0.910 1.00 0.00 O ATOM 705 NE2 GLN A 48 4.208 -0.447 -0.877 1.00 0.00 N ATOM 0 H GLN A 48 7.758 -0.829 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 48 9.248 1.651 -1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.199 2.529 -0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.790 1.526 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.568 -0.341 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.256 1.080 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.715 -1.310 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.247 -0.486 -1.216 1.00 0.00 H new ATOM 714 N ARG A 49 8.786 -0.318 0.983 1.00 0.00 N ATOM 715 CA ARG A 49 9.219 -0.584 2.350 1.00 0.00 C ATOM 716 C ARG A 49 10.740 -0.674 2.430 1.00 0.00 C ATOM 717 O ARG A 49 11.350 -0.212 3.395 1.00 0.00 O ATOM 718 CB ARG A 49 8.593 -1.881 2.863 1.00 0.00 C ATOM 719 CG ARG A 49 8.323 -1.877 4.359 1.00 0.00 C ATOM 720 CD ARG A 49 6.928 -1.359 4.672 1.00 0.00 C ATOM 721 NE ARG A 49 6.506 -1.708 6.026 1.00 0.00 N ATOM 722 CZ ARG A 49 5.392 -1.253 6.589 1.00 0.00 C ATOM 723 NH1 ARG A 49 4.592 -0.435 5.918 1.00 0.00 N ATOM 724 NH2 ARG A 49 5.076 -1.615 7.826 1.00 0.00 N ATOM 0 H ARG A 49 8.212 -1.054 0.572 1.00 0.00 H new ATOM 0 HA ARG A 49 8.887 0.244 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.656 -2.057 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.255 -2.713 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.434 -2.887 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.064 -1.256 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.909 -0.276 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.219 -1.770 3.954 1.00 0.00 H new ATOM 0 HE ARG A 49 7.099 -2.335 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.831 -0.154 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.737 -0.087 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.689 -2.243 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.220 -1.265 8.257 1.00 0.00 H new ATOM 738 N PHE A 50 11.347 -1.273 1.411 1.00 0.00 N ATOM 739 CA PHE A 50 12.797 -1.425 1.367 1.00 0.00 C ATOM 740 C PHE A 50 13.419 -0.427 0.395 1.00 0.00 C ATOM 741 O PHE A 50 14.638 -0.256 0.358 1.00 0.00 O ATOM 742 CB PHE A 50 13.168 -2.852 0.958 1.00 0.00 C ATOM 743 CG PHE A 50 13.018 -3.852 2.069 1.00 0.00 C ATOM 744 CD1 PHE A 50 14.038 -4.047 2.986 1.00 0.00 C ATOM 745 CD2 PHE A 50 11.857 -4.598 2.195 1.00 0.00 C ATOM 746 CE1 PHE A 50 13.903 -4.966 4.009 1.00 0.00 C ATOM 747 CE2 PHE A 50 11.717 -5.518 3.216 1.00 0.00 C ATOM 748 CZ PHE A 50 12.741 -5.703 4.124 1.00 0.00 C ATOM 0 H PHE A 50 10.858 -1.661 0.605 1.00 0.00 H new ATOM 0 HA PHE A 50 13.189 -1.226 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.541 -3.156 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.199 -2.864 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.949 -3.474 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.053 -4.459 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.705 -5.108 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.807 -6.093 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.633 -6.422 4.922 1.00 0.00 H new ATOM 758 N LYS A 51 12.573 0.229 -0.392 1.00 0.00 N ATOM 759 CA LYS A 51 13.038 1.211 -1.365 1.00 0.00 C ATOM 760 C LYS A 51 13.924 0.556 -2.419 1.00 0.00 C ATOM 761 O LYS A 51 15.028 1.024 -2.694 1.00 0.00 O ATOM 762 CB LYS A 51 13.807 2.332 -0.662 1.00 0.00 C ATOM 763 CG LYS A 51 13.282 2.651 0.727 1.00 0.00 C ATOM 764 CD LYS A 51 11.935 3.352 0.667 1.00 0.00 C ATOM 765 CE LYS A 51 12.096 4.864 0.624 1.00 0.00 C ATOM 766 NZ LYS A 51 12.353 5.356 -0.758 1.00 0.00 N ATOM 0 H LYS A 51 11.562 0.098 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 51 12.165 1.634 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.857 2.050 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.761 3.232 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.188 1.730 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.999 3.283 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.389 3.018 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.339 3.073 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.195 5.336 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.920 5.160 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.014 6.335 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.374 5.324 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.851 4.753 -1.440 1.00 0.00 H new ATOM 780 N ALA A 52 13.432 -0.530 -3.007 1.00 0.00 N ATOM 781 CA ALA A 52 14.178 -1.247 -4.034 1.00 0.00 C ATOM 782 C ALA A 52 13.250 -1.760 -5.129 1.00 0.00 C ATOM 783 O ALA A 52 12.212 -2.360 -4.847 1.00 0.00 O ATOM 784 CB ALA A 52 14.954 -2.400 -3.414 1.00 0.00 C ATOM 0 H ALA A 52 12.520 -0.932 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 52 14.883 -0.551 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.506 -2.927 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.652 -2.012 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.260 -3.089 -2.933 1.00 0.00 H new ATOM 790 N HIS A 53 13.630 -1.521 -6.380 1.00 0.00 N ATOM 791 CA HIS A 53 12.831 -1.959 -7.519 1.00 0.00 C ATOM 792 C HIS A 53 12.551 -3.457 -7.442 1.00 0.00 C ATOM 793 O HIS A 53 13.406 -4.254 -7.055 1.00 0.00 O ATOM 794 CB HIS A 53 13.547 -1.629 -8.829 1.00 0.00 C ATOM 795 CG HIS A 53 12.615 -1.327 -9.962 1.00 0.00 C ATOM 796 ND1 HIS A 53 12.151 -2.291 -10.832 1.00 0.00 N ATOM 797 CD2 HIS A 53 12.058 -0.161 -10.363 1.00 0.00 C ATOM 798 CE1 HIS A 53 11.351 -1.730 -11.721 1.00 0.00 C ATOM 799 NE2 HIS A 53 11.277 -0.438 -11.458 1.00 0.00 N ATOM 0 H HIS A 53 14.486 -1.026 -6.631 1.00 0.00 H new ATOM 0 HA HIS A 53 11.880 -1.427 -7.490 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.202 -0.772 -8.670 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.183 -2.469 -9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.201 0.807 -9.907 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.844 -2.241 -12.526 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.729 0.243 -11.983 1.00 0.00 H new ATOM 808 N PRO A 54 11.326 -3.851 -7.819 1.00 0.00 N ATOM 809 CA PRO A 54 10.905 -5.255 -7.801 1.00 0.00 C ATOM 810 C PRO A 54 11.607 -6.084 -8.871 1.00 0.00 C ATOM 811 O PRO A 54 11.380 -7.289 -8.985 1.00 0.00 O ATOM 812 CB PRO A 54 9.403 -5.179 -8.084 1.00 0.00 C ATOM 813 CG PRO A 54 9.222 -3.904 -8.833 1.00 0.00 C ATOM 814 CD PRO A 54 10.256 -2.956 -8.292 1.00 0.00 C ATOM 0 HA PRO A 54 11.151 -5.742 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.067 -6.034 -8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.826 -5.180 -7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.356 -4.058 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.217 -3.507 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.615 -2.272 -9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.856 -2.345 -7.483 1.00 0.00 H new ATOM 822 N ASP A 55 12.461 -5.432 -9.653 1.00 0.00 N ATOM 823 CA ASP A 55 13.198 -6.110 -10.713 1.00 0.00 C ATOM 824 C ASP A 55 14.501 -6.696 -10.180 1.00 0.00 C ATOM 825 O ASP A 55 15.255 -7.331 -10.917 1.00 0.00 O ATOM 826 CB ASP A 55 13.491 -5.141 -11.859 1.00 0.00 C ATOM 827 CG ASP A 55 13.990 -5.849 -13.103 1.00 0.00 C ATOM 828 OD1 ASP A 55 13.167 -6.483 -13.795 1.00 0.00 O ATOM 829 OD2 ASP A 55 15.205 -5.771 -13.384 1.00 0.00 O ATOM 0 H ASP A 55 12.660 -4.435 -9.573 1.00 0.00 H new ATOM 0 HA ASP A 55 12.580 -6.926 -11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.586 -4.584 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.236 -4.414 -11.535 1.00 0.00 H new ATOM 834 N GLN A 56 14.761 -6.477 -8.894 1.00 0.00 N ATOM 835 CA GLN A 56 15.974 -6.983 -8.264 1.00 0.00 C ATOM 836 C GLN A 56 15.641 -7.811 -7.028 1.00 0.00 C ATOM 837 O GLN A 56 16.317 -8.796 -6.726 1.00 0.00 O ATOM 838 CB GLN A 56 16.896 -5.824 -7.882 1.00 0.00 C ATOM 839 CG GLN A 56 16.152 -4.551 -7.510 1.00 0.00 C ATOM 840 CD GLN A 56 17.081 -3.370 -7.306 1.00 0.00 C ATOM 841 OE1 GLN A 56 17.748 -2.922 -8.239 1.00 0.00 O ATOM 842 NE2 GLN A 56 17.129 -2.860 -6.081 1.00 0.00 N ATOM 0 H GLN A 56 14.148 -5.953 -8.269 1.00 0.00 H new ATOM 0 HA GLN A 56 16.485 -7.625 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.520 -6.129 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.565 -5.613 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.434 -4.312 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.582 -4.722 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.559 -3.263 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.736 -2.065 -5.883 1.00 0.00 H new ATOM 851 N LEU A 57 14.595 -7.407 -6.315 1.00 0.00 N ATOM 852 CA LEU A 57 14.172 -8.112 -5.110 1.00 0.00 C ATOM 853 C LEU A 57 14.078 -9.613 -5.362 1.00 0.00 C ATOM 854 O LEU A 57 13.336 -10.061 -6.236 1.00 0.00 O ATOM 855 CB LEU A 57 12.820 -7.578 -4.631 1.00 0.00 C ATOM 856 CG LEU A 57 12.719 -6.061 -4.464 1.00 0.00 C ATOM 857 CD1 LEU A 57 11.417 -5.687 -3.773 1.00 0.00 C ATOM 858 CD2 LEU A 57 13.912 -5.530 -3.684 1.00 0.00 C ATOM 0 H LEU A 57 14.024 -6.595 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 57 14.919 -7.938 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.054 -7.897 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.585 -8.045 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 57 12.726 -5.603 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.362 -4.604 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.575 -6.034 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.380 -6.155 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.823 -4.449 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.937 -5.993 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.831 -5.766 -4.220 1.00 0.00 H new ATOM 870 N VAL A 58 14.834 -10.386 -4.589 1.00 0.00 N ATOM 871 CA VAL A 58 14.834 -11.838 -4.726 1.00 0.00 C ATOM 872 C VAL A 58 14.364 -12.511 -3.442 1.00 0.00 C ATOM 873 O VAL A 58 14.991 -12.374 -2.390 1.00 0.00 O ATOM 874 CB VAL A 58 16.235 -12.367 -5.088 1.00 0.00 C ATOM 875 CG1 VAL A 58 16.210 -13.881 -5.240 1.00 0.00 C ATOM 876 CG2 VAL A 58 16.744 -11.703 -6.358 1.00 0.00 C ATOM 0 H VAL A 58 15.454 -10.031 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 58 14.143 -12.080 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 58 16.920 -12.118 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.208 -14.238 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.892 -14.336 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.513 -14.156 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.735 -12.089 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.061 -11.919 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.801 -10.625 -6.207 1.00 0.00 H new ATOM 886 N LEU A 59 13.257 -13.239 -3.533 1.00 0.00 N ATOM 887 CA LEU A 59 12.702 -13.936 -2.378 1.00 0.00 C ATOM 888 C LEU A 59 13.152 -15.393 -2.352 1.00 0.00 C ATOM 889 O LEU A 59 13.006 -16.116 -3.338 1.00 0.00 O ATOM 890 CB LEU A 59 11.174 -13.863 -2.400 1.00 0.00 C ATOM 891 CG LEU A 59 10.559 -12.540 -1.944 1.00 0.00 C ATOM 892 CD1 LEU A 59 9.043 -12.586 -2.063 1.00 0.00 C ATOM 893 CD2 LEU A 59 10.973 -12.223 -0.514 1.00 0.00 C ATOM 0 H LEU A 59 12.726 -13.362 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 59 13.071 -13.445 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.835 -14.067 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.783 -14.660 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 59 10.931 -11.747 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.623 -11.635 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.765 -12.765 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.653 -13.390 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.526 -11.278 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.631 -13.018 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.059 -12.146 -0.458 1.00 0.00 H new ATOM 905 N ILE A 60 13.699 -15.818 -1.218 1.00 0.00 N ATOM 906 CA ILE A 60 14.167 -17.190 -1.063 1.00 0.00 C ATOM 907 C ILE A 60 13.452 -17.888 0.089 1.00 0.00 C ATOM 908 O ILE A 60 13.378 -17.360 1.199 1.00 0.00 O ATOM 909 CB ILE A 60 15.686 -17.241 -0.817 1.00 0.00 C ATOM 910 CG1 ILE A 60 16.445 -16.879 -2.095 1.00 0.00 C ATOM 911 CG2 ILE A 60 16.096 -18.621 -0.324 1.00 0.00 C ATOM 912 CD1 ILE A 60 17.814 -16.289 -1.839 1.00 0.00 C ATOM 0 H ILE A 60 13.829 -15.232 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 60 13.940 -17.709 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 60 15.939 -16.511 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.553 -17.773 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.853 -16.167 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.173 -18.642 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.577 -18.843 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 60 15.832 -19.368 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 60 18.294 -16.057 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 60 17.713 -15.377 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 60 18.423 -17.008 -1.291 1.00 0.00 H new ATOM 924 N PHE A 61 12.929 -19.079 -0.182 1.00 0.00 N ATOM 925 CA PHE A 61 12.220 -19.851 0.832 1.00 0.00 C ATOM 926 C PHE A 61 12.330 -21.347 0.551 1.00 0.00 C ATOM 927 O PHE A 61 12.320 -21.775 -0.602 1.00 0.00 O ATOM 928 CB PHE A 61 10.748 -19.437 0.883 1.00 0.00 C ATOM 929 CG PHE A 61 9.976 -20.101 1.987 1.00 0.00 C ATOM 930 CD1 PHE A 61 9.620 -21.437 1.894 1.00 0.00 C ATOM 931 CD2 PHE A 61 9.607 -19.390 3.117 1.00 0.00 C ATOM 932 CE1 PHE A 61 8.910 -22.052 2.908 1.00 0.00 C ATOM 933 CE2 PHE A 61 8.897 -19.999 4.134 1.00 0.00 C ATOM 934 CZ PHE A 61 8.547 -21.331 4.029 1.00 0.00 C ATOM 0 H PHE A 61 12.983 -19.531 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 61 12.681 -19.645 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.687 -18.356 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.279 -19.675 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.901 -22.004 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.877 -18.348 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.640 -23.094 2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.616 -19.434 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.990 -21.808 4.822 1.00 0.00 H new ATOM 944 N ALA A 62 12.435 -22.136 1.616 1.00 0.00 N ATOM 945 CA ALA A 62 12.545 -23.584 1.485 1.00 0.00 C ATOM 946 C ALA A 62 13.723 -23.967 0.596 1.00 0.00 C ATOM 947 O ALA A 62 13.707 -25.009 -0.058 1.00 0.00 O ATOM 948 CB ALA A 62 11.252 -24.163 0.930 1.00 0.00 C ATOM 0 H ALA A 62 12.446 -21.797 2.578 1.00 0.00 H new ATOM 0 HA ALA A 62 12.721 -24.002 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.348 -25.245 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.429 -23.928 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.051 -23.731 -0.051 1.00 0.00 H new ATOM 954 N GLY A 63 14.745 -23.117 0.577 1.00 0.00 N ATOM 955 CA GLY A 63 15.917 -23.384 -0.236 1.00 0.00 C ATOM 956 C GLY A 63 15.626 -23.292 -1.721 1.00 0.00 C ATOM 957 O GLY A 63 16.333 -23.882 -2.538 1.00 0.00 O ATOM 0 H GLY A 63 14.782 -22.248 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.703 -22.674 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.297 -24.379 -0.004 1.00 0.00 H new ATOM 961 N LYS A 64 14.580 -22.551 -2.073 1.00 0.00 N ATOM 962 CA LYS A 64 14.195 -22.384 -3.469 1.00 0.00 C ATOM 963 C LYS A 64 13.675 -20.973 -3.724 1.00 0.00 C ATOM 964 O LYS A 64 12.990 -20.392 -2.882 1.00 0.00 O ATOM 965 CB LYS A 64 13.126 -23.410 -3.852 1.00 0.00 C ATOM 966 CG LYS A 64 11.849 -23.289 -3.039 1.00 0.00 C ATOM 967 CD LYS A 64 10.737 -24.147 -3.618 1.00 0.00 C ATOM 968 CE LYS A 64 9.411 -23.889 -2.918 1.00 0.00 C ATOM 969 NZ LYS A 64 8.252 -24.321 -3.747 1.00 0.00 N ATOM 0 H LYS A 64 13.984 -22.056 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 64 15.080 -22.544 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.886 -23.295 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.534 -24.413 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.042 -23.589 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.530 -22.247 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.634 -23.940 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.001 -25.200 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.394 -24.419 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.320 -22.826 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.370 -24.159 -3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.234 -23.773 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.342 -25.333 -3.969 1.00 0.00 H new ATOM 983 N ILE A 65 14.004 -20.428 -4.891 1.00 0.00 N ATOM 984 CA ILE A 65 13.567 -19.086 -5.257 1.00 0.00 C ATOM 985 C ILE A 65 12.090 -19.073 -5.633 1.00 0.00 C ATOM 986 O ILE A 65 11.684 -19.680 -6.624 1.00 0.00 O ATOM 987 CB ILE A 65 14.390 -18.528 -6.434 1.00 0.00 C ATOM 988 CG1 ILE A 65 15.843 -18.308 -6.009 1.00 0.00 C ATOM 989 CG2 ILE A 65 13.777 -17.231 -6.939 1.00 0.00 C ATOM 990 CD1 ILE A 65 16.019 -17.176 -5.021 1.00 0.00 C ATOM 0 H ILE A 65 14.571 -20.895 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 65 13.723 -18.453 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 65 14.376 -19.254 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.227 -19.228 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.445 -18.104 -6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.369 -16.848 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.757 -17.417 -7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.765 -16.496 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.074 -17.078 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.666 -16.246 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.444 -17.388 -4.119 1.00 0.00 H new ATOM 1002 N LEU A 66 11.289 -18.374 -4.835 1.00 0.00 N ATOM 1003 CA LEU A 66 9.855 -18.279 -5.084 1.00 0.00 C ATOM 1004 C LEU A 66 9.579 -17.833 -6.517 1.00 0.00 C ATOM 1005 O LEU A 66 10.227 -16.920 -7.030 1.00 0.00 O ATOM 1006 CB LEU A 66 9.210 -17.301 -4.100 1.00 0.00 C ATOM 1007 CG LEU A 66 9.603 -17.469 -2.632 1.00 0.00 C ATOM 1008 CD1 LEU A 66 8.749 -16.577 -1.745 1.00 0.00 C ATOM 1009 CD2 LEU A 66 9.475 -18.925 -2.209 1.00 0.00 C ATOM 0 H LEU A 66 11.609 -17.865 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 66 9.420 -19.268 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.462 -16.287 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.127 -17.398 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 66 10.645 -17.169 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.043 -16.710 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.892 -15.535 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.699 -16.845 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.759 -19.026 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.443 -19.252 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.131 -19.541 -2.824 1.00 0.00 H new ATOM 1021 N LYS A 67 8.612 -18.481 -7.157 1.00 0.00 N ATOM 1022 CA LYS A 67 8.247 -18.149 -8.529 1.00 0.00 C ATOM 1023 C LYS A 67 7.107 -17.136 -8.559 1.00 0.00 C ATOM 1024 O LYS A 67 6.302 -17.065 -7.631 1.00 0.00 O ATOM 1025 CB LYS A 67 7.840 -19.413 -9.290 1.00 0.00 C ATOM 1026 CG LYS A 67 8.994 -20.367 -9.546 1.00 0.00 C ATOM 1027 CD LYS A 67 9.968 -19.802 -10.566 1.00 0.00 C ATOM 1028 CE LYS A 67 11.387 -20.285 -10.308 1.00 0.00 C ATOM 1029 NZ LYS A 67 12.270 -20.067 -11.487 1.00 0.00 N ATOM 0 H LYS A 67 8.067 -19.239 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 67 9.117 -17.705 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.067 -19.934 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.398 -19.126 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.518 -20.564 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.606 -21.322 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.659 -20.097 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.941 -18.713 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.798 -19.761 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.370 -21.346 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.228 -20.409 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.892 -20.587 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.307 -19.052 -11.710 1.00 0.00 H new ATOM 1043 N ASP A 68 7.045 -16.355 -9.632 1.00 0.00 N ATOM 1044 CA ASP A 68 6.002 -15.347 -9.784 1.00 0.00 C ATOM 1045 C ASP A 68 4.618 -15.989 -9.761 1.00 0.00 C ATOM 1046 O ASP A 68 3.755 -15.632 -8.960 1.00 0.00 O ATOM 1047 CB ASP A 68 6.197 -14.573 -11.089 1.00 0.00 C ATOM 1048 CG ASP A 68 7.046 -13.331 -10.904 1.00 0.00 C ATOM 1049 OD1 ASP A 68 7.648 -13.180 -9.821 1.00 0.00 O ATOM 1050 OD2 ASP A 68 7.106 -12.508 -11.842 1.00 0.00 O ATOM 0 H ASP A 68 7.704 -16.400 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 68 6.076 -14.655 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.666 -15.224 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.223 -14.288 -11.488 1.00 0.00 H new ATOM 1055 N PRO A 69 4.401 -16.959 -10.662 1.00 0.00 N ATOM 1056 CA PRO A 69 3.123 -17.671 -10.765 1.00 0.00 C ATOM 1057 C PRO A 69 2.872 -18.587 -9.572 1.00 0.00 C ATOM 1058 O PRO A 69 1.883 -19.320 -9.538 1.00 0.00 O ATOM 1059 CB PRO A 69 3.278 -18.493 -12.047 1.00 0.00 C ATOM 1060 CG PRO A 69 4.748 -18.680 -12.202 1.00 0.00 C ATOM 1061 CD PRO A 69 5.385 -17.436 -11.648 1.00 0.00 C ATOM 0 HA PRO A 69 2.275 -16.986 -10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.763 -19.451 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.853 -17.972 -12.905 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.088 -19.565 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.015 -18.822 -13.249 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.348 -17.650 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.565 -16.695 -12.427 1.00 0.00 H new ATOM 1069 N ASP A 70 3.771 -18.539 -8.596 1.00 0.00 N ATOM 1070 CA ASP A 70 3.646 -19.364 -7.400 1.00 0.00 C ATOM 1071 C ASP A 70 3.215 -18.523 -6.202 1.00 0.00 C ATOM 1072 O ASP A 70 4.019 -17.794 -5.622 1.00 0.00 O ATOM 1073 CB ASP A 70 4.971 -20.065 -7.096 1.00 0.00 C ATOM 1074 CG ASP A 70 5.246 -21.218 -8.041 1.00 0.00 C ATOM 1075 OD1 ASP A 70 4.931 -21.088 -9.242 1.00 0.00 O ATOM 1076 OD2 ASP A 70 5.775 -22.251 -7.579 1.00 0.00 O ATOM 0 H ASP A 70 4.595 -17.937 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 70 2.880 -20.117 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.785 -19.343 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.956 -20.435 -6.071 1.00 0.00 H new ATOM 1081 N SER A 71 1.941 -18.628 -5.839 1.00 0.00 N ATOM 1082 CA SER A 71 1.401 -17.874 -4.714 1.00 0.00 C ATOM 1083 C SER A 71 2.125 -18.235 -3.421 1.00 0.00 C ATOM 1084 O SER A 71 2.764 -19.284 -3.325 1.00 0.00 O ATOM 1085 CB SER A 71 -0.098 -18.141 -4.565 1.00 0.00 C ATOM 1086 OG SER A 71 -0.371 -19.531 -4.573 1.00 0.00 O ATOM 0 H SER A 71 1.263 -19.228 -6.308 1.00 0.00 H new ATOM 0 HA SER A 71 1.555 -16.813 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.458 -17.702 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.640 -17.656 -5.377 1.00 0.00 H new ATOM 0 HG SER A 71 -1.335 -19.676 -4.475 1.00 0.00 H new ATOM 1092 N LEU A 72 2.021 -17.359 -2.428 1.00 0.00 N ATOM 1093 CA LEU A 72 2.666 -17.584 -1.138 1.00 0.00 C ATOM 1094 C LEU A 72 2.392 -18.997 -0.632 1.00 0.00 C ATOM 1095 O LEU A 72 3.268 -19.640 -0.055 1.00 0.00 O ATOM 1096 CB LEU A 72 2.174 -16.559 -0.114 1.00 0.00 C ATOM 1097 CG LEU A 72 1.859 -15.165 -0.658 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.668 -14.178 0.483 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.964 -14.695 -1.593 1.00 0.00 C ATOM 0 H LEU A 72 1.497 -16.486 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 72 3.741 -17.468 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.276 -16.953 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.931 -16.461 0.665 1.00 0.00 H new ATOM 0 HG LEU A 72 0.929 -15.218 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.445 -13.191 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.842 -14.506 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.580 -14.128 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.723 -13.701 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.909 -14.658 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.053 -15.389 -2.429 1.00 0.00 H new ATOM 1111 N ALA A 73 1.172 -19.474 -0.855 1.00 0.00 N ATOM 1112 CA ALA A 73 0.785 -20.812 -0.426 1.00 0.00 C ATOM 1113 C ALA A 73 1.452 -21.879 -1.286 1.00 0.00 C ATOM 1114 O ALA A 73 1.717 -22.987 -0.821 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.728 -20.964 -0.472 1.00 0.00 C ATOM 0 H ALA A 73 0.435 -18.954 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 73 1.122 -20.949 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.003 -21.968 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.188 -20.231 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.079 -20.802 -1.491 1.00 0.00 H new ATOM 1121 N GLN A 74 1.720 -21.538 -2.542 1.00 0.00 N ATOM 1122 CA GLN A 74 2.356 -22.469 -3.467 1.00 0.00 C ATOM 1123 C GLN A 74 3.832 -22.649 -3.130 1.00 0.00 C ATOM 1124 O GLN A 74 4.396 -23.727 -3.324 1.00 0.00 O ATOM 1125 CB GLN A 74 2.206 -21.972 -4.907 1.00 0.00 C ATOM 1126 CG GLN A 74 0.900 -22.389 -5.562 1.00 0.00 C ATOM 1127 CD GLN A 74 0.929 -22.238 -7.070 1.00 0.00 C ATOM 1128 OE1 GLN A 74 0.014 -21.668 -7.666 1.00 0.00 O ATOM 1129 NE2 GLN A 74 1.983 -22.748 -7.696 1.00 0.00 N ATOM 0 H GLN A 74 1.507 -20.624 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 74 1.860 -23.435 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.276 -20.884 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.038 -22.350 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.686 -23.427 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.086 -21.788 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.718 -23.212 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.058 -22.676 -8.711 1.00 0.00 H new ATOM 1138 N CYS A 75 4.452 -21.589 -2.625 1.00 0.00 N ATOM 1139 CA CYS A 75 5.864 -21.630 -2.261 1.00 0.00 C ATOM 1140 C CYS A 75 6.054 -22.274 -0.892 1.00 0.00 C ATOM 1141 O CYS A 75 7.129 -22.783 -0.578 1.00 0.00 O ATOM 1142 CB CYS A 75 6.453 -20.218 -2.261 1.00 0.00 C ATOM 1143 SG CYS A 75 6.547 -19.457 -3.898 1.00 0.00 S ATOM 0 H CYS A 75 3.999 -20.690 -2.458 1.00 0.00 H new ATOM 0 HA CYS A 75 6.388 -22.234 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 75 5.849 -19.584 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.454 -20.253 -1.831 1.00 0.00 H new ATOM 0 HG CYS A 75 5.402 -18.917 -4.192 1.00 0.00 H new ATOM 1149 N GLY A 76 5.002 -22.246 -0.079 1.00 0.00 N ATOM 1150 CA GLY A 76 5.075 -22.828 1.248 1.00 0.00 C ATOM 1151 C GLY A 76 4.939 -21.791 2.345 1.00 0.00 C ATOM 1152 O GLY A 76 5.084 -22.104 3.527 1.00 0.00 O ATOM 0 H GLY A 76 4.101 -21.831 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.288 -23.574 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.026 -23.349 1.361 1.00 0.00 H new ATOM 1156 N VAL A 77 4.662 -20.551 1.954 1.00 0.00 N ATOM 1157 CA VAL A 77 4.508 -19.464 2.912 1.00 0.00 C ATOM 1158 C VAL A 77 3.172 -19.558 3.640 1.00 0.00 C ATOM 1159 O VAL A 77 2.145 -19.869 3.037 1.00 0.00 O ATOM 1160 CB VAL A 77 4.609 -18.090 2.224 1.00 0.00 C ATOM 1161 CG1 VAL A 77 4.346 -16.972 3.221 1.00 0.00 C ATOM 1162 CG2 VAL A 77 5.971 -17.921 1.567 1.00 0.00 C ATOM 0 H VAL A 77 4.540 -20.275 0.980 1.00 0.00 H new ATOM 0 HA VAL A 77 5.319 -19.561 3.633 1.00 0.00 H new ATOM 0 HB VAL A 77 3.847 -18.037 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.422 -16.009 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.346 -17.085 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.082 -17.020 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.024 -16.944 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.752 -17.996 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.114 -18.702 0.820 1.00 0.00 H new ATOM 1172 N ARG A 78 3.193 -19.288 4.941 1.00 0.00 N ATOM 1173 CA ARG A 78 1.983 -19.343 5.753 1.00 0.00 C ATOM 1174 C ARG A 78 1.900 -18.140 6.688 1.00 0.00 C ATOM 1175 O ARG A 78 2.733 -17.236 6.628 1.00 0.00 O ATOM 1176 CB ARG A 78 1.948 -20.638 6.567 1.00 0.00 C ATOM 1177 CG ARG A 78 2.465 -21.849 5.807 1.00 0.00 C ATOM 1178 CD ARG A 78 1.446 -22.350 4.796 1.00 0.00 C ATOM 1179 NE ARG A 78 1.548 -23.791 4.585 1.00 0.00 N ATOM 1180 CZ ARG A 78 1.198 -24.694 5.494 1.00 0.00 C ATOM 1181 NH1 ARG A 78 0.725 -24.306 6.670 1.00 0.00 N ATOM 1182 NH2 ARG A 78 1.320 -25.988 5.227 1.00 0.00 N ATOM 0 H ARG A 78 4.035 -19.029 5.456 1.00 0.00 H new ATOM 0 HA ARG A 78 1.124 -19.320 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.543 -20.505 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.923 -20.830 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.391 -21.589 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.703 -22.647 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.442 -22.104 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.592 -21.833 3.847 1.00 0.00 H new ATOM 0 HE ARG A 78 1.908 -24.123 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.629 -23.312 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.457 -25.001 7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.683 -26.290 4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.051 -26.681 5.926 1.00 0.00 H new ATOM 1196 N ASP A 79 0.888 -18.136 7.549 1.00 0.00 N ATOM 1197 CA ASP A 79 0.696 -17.044 8.497 1.00 0.00 C ATOM 1198 C ASP A 79 1.675 -17.157 9.662 1.00 0.00 C ATOM 1199 O ASP A 79 1.446 -17.911 10.607 1.00 0.00 O ATOM 1200 CB ASP A 79 -0.741 -17.042 9.020 1.00 0.00 C ATOM 1201 CG ASP A 79 -1.323 -18.439 9.119 1.00 0.00 C ATOM 1202 OD1 ASP A 79 -1.893 -18.916 8.116 1.00 0.00 O ATOM 1203 OD2 ASP A 79 -1.209 -19.054 10.200 1.00 0.00 O ATOM 0 H ASP A 79 0.189 -18.876 7.610 1.00 0.00 H new ATOM 0 HA ASP A 79 0.886 -16.105 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.766 -16.570 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.364 -16.438 8.360 1.00 0.00 H new ATOM 1208 N GLY A 80 2.767 -16.403 9.586 1.00 0.00 N ATOM 1209 CA GLY A 80 3.765 -16.434 10.639 1.00 0.00 C ATOM 1210 C GLY A 80 5.093 -16.987 10.163 1.00 0.00 C ATOM 1211 O GLY A 80 5.972 -17.292 10.970 1.00 0.00 O ATOM 0 H GLY A 80 2.978 -15.771 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.912 -15.425 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.397 -17.042 11.466 1.00 0.00 H new ATOM 1215 N LEU A 81 5.241 -17.118 8.850 1.00 0.00 N ATOM 1216 CA LEU A 81 6.472 -17.640 8.267 1.00 0.00 C ATOM 1217 C LEU A 81 7.427 -16.507 7.907 1.00 0.00 C ATOM 1218 O LEU A 81 7.046 -15.336 7.902 1.00 0.00 O ATOM 1219 CB LEU A 81 6.158 -18.472 7.022 1.00 0.00 C ATOM 1220 CG LEU A 81 5.361 -19.756 7.256 1.00 0.00 C ATOM 1221 CD1 LEU A 81 5.705 -20.797 6.203 1.00 0.00 C ATOM 1222 CD2 LEU A 81 5.625 -20.300 8.653 1.00 0.00 C ATOM 0 H LEU A 81 4.524 -16.870 8.168 1.00 0.00 H new ATOM 0 HA LEU A 81 6.955 -18.276 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.604 -17.847 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.099 -18.735 6.539 1.00 0.00 H new ATOM 0 HG LEU A 81 4.300 -19.523 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.128 -21.704 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.465 -20.407 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.769 -21.028 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.050 -21.214 8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.687 -20.518 8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.327 -19.559 9.394 1.00 0.00 H new ATOM 1234 N THR A 82 8.672 -16.863 7.602 1.00 0.00 N ATOM 1235 CA THR A 82 9.682 -15.877 7.240 1.00 0.00 C ATOM 1236 C THR A 82 10.271 -16.173 5.866 1.00 0.00 C ATOM 1237 O THR A 82 10.270 -17.317 5.412 1.00 0.00 O ATOM 1238 CB THR A 82 10.821 -15.832 8.276 1.00 0.00 C ATOM 1239 OG1 THR A 82 10.280 -15.675 9.592 1.00 0.00 O ATOM 1240 CG2 THR A 82 11.780 -14.690 7.976 1.00 0.00 C ATOM 0 H THR A 82 9.004 -17.827 7.599 1.00 0.00 H new ATOM 0 HA THR A 82 9.184 -14.908 7.218 1.00 0.00 H new ATOM 0 HB THR A 82 11.371 -16.771 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.010 -15.649 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.576 -14.678 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.212 -14.829 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.240 -13.744 8.007 1.00 0.00 H new ATOM 1248 N VAL A 83 10.776 -15.135 5.207 1.00 0.00 N ATOM 1249 CA VAL A 83 11.371 -15.284 3.884 1.00 0.00 C ATOM 1250 C VAL A 83 12.603 -14.400 3.733 1.00 0.00 C ATOM 1251 O VAL A 83 12.510 -13.173 3.776 1.00 0.00 O ATOM 1252 CB VAL A 83 10.363 -14.936 2.773 1.00 0.00 C ATOM 1253 CG1 VAL A 83 10.905 -15.348 1.412 1.00 0.00 C ATOM 1254 CG2 VAL A 83 9.021 -15.599 3.044 1.00 0.00 C ATOM 0 H VAL A 83 10.785 -14.181 5.568 1.00 0.00 H new ATOM 0 HA VAL A 83 11.663 -16.329 3.784 1.00 0.00 H new ATOM 0 HB VAL A 83 10.214 -13.856 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.179 -15.094 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.840 -14.822 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.085 -16.423 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.321 -15.342 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.150 -16.681 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.629 -15.250 3.999 1.00 0.00 H new ATOM 1264 N HIS A 84 13.760 -15.031 3.554 1.00 0.00 N ATOM 1265 CA HIS A 84 15.012 -14.301 3.394 1.00 0.00 C ATOM 1266 C HIS A 84 15.067 -13.605 2.038 1.00 0.00 C ATOM 1267 O HIS A 84 15.299 -14.243 1.010 1.00 0.00 O ATOM 1268 CB HIS A 84 16.202 -15.250 3.542 1.00 0.00 C ATOM 1269 CG HIS A 84 16.349 -15.818 4.920 1.00 0.00 C ATOM 1270 ND1 HIS A 84 15.728 -16.861 5.519 1.00 0.00 N flip ATOM 1271 CD2 HIS A 84 17.219 -15.302 5.857 1.00 0.00 C flip ATOM 1272 CE1 HIS A 84 16.231 -16.957 6.793 1.00 0.00 C flip ATOM 1273 NE2 HIS A 84 17.129 -16.005 6.972 1.00 0.00 N flip ATOM 0 H HIS A 84 13.856 -16.046 3.516 1.00 0.00 H new ATOM 0 HA HIS A 84 15.063 -13.541 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.094 -16.069 2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.116 -14.717 3.278 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.872 -14.456 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.940 -17.692 7.529 1.00 0.00 H new ATOM 0 HE2 HIS A 84 17.662 -15.841 7.826 1.00 0.00 H new ATOM 1282 N LEU A 85 14.850 -12.295 2.042 1.00 0.00 N ATOM 1283 CA LEU A 85 14.873 -11.511 0.811 1.00 0.00 C ATOM 1284 C LEU A 85 16.287 -11.032 0.498 1.00 0.00 C ATOM 1285 O LEU A 85 17.079 -10.765 1.402 1.00 0.00 O ATOM 1286 CB LEU A 85 13.931 -10.312 0.929 1.00 0.00 C ATOM 1287 CG LEU A 85 14.069 -9.241 -0.154 1.00 0.00 C ATOM 1288 CD1 LEU A 85 13.195 -9.578 -1.352 1.00 0.00 C ATOM 1289 CD2 LEU A 85 13.710 -7.871 0.402 1.00 0.00 C ATOM 0 H LEU A 85 14.656 -11.752 2.884 1.00 0.00 H new ATOM 0 HA LEU A 85 14.536 -12.151 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.905 -10.679 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.093 -9.842 1.899 1.00 0.00 H new ATOM 0 HG LEU A 85 15.108 -9.216 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.306 -8.805 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.499 -10.540 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.152 -9.631 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.814 -7.121 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.680 -7.882 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.378 -7.627 1.228 1.00 0.00 H new ATOM 1301 N VAL A 86 16.598 -10.924 -0.790 1.00 0.00 N ATOM 1302 CA VAL A 86 17.915 -10.474 -1.224 1.00 0.00 C ATOM 1303 C VAL A 86 17.805 -9.481 -2.375 1.00 0.00 C ATOM 1304 O VAL A 86 17.431 -9.846 -3.490 1.00 0.00 O ATOM 1305 CB VAL A 86 18.796 -11.658 -1.664 1.00 0.00 C ATOM 1306 CG1 VAL A 86 20.104 -11.159 -2.259 1.00 0.00 C ATOM 1307 CG2 VAL A 86 19.056 -12.593 -0.493 1.00 0.00 C ATOM 0 H VAL A 86 15.955 -11.142 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 86 18.379 -9.984 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 86 18.264 -12.217 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.713 -12.010 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.894 -10.534 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.644 -10.575 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.680 -13.424 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.567 -12.048 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.108 -12.978 -0.117 1.00 0.00 H new ATOM 1317 N ILE A 87 18.133 -8.223 -2.098 1.00 0.00 N ATOM 1318 CA ILE A 87 18.073 -7.177 -3.111 1.00 0.00 C ATOM 1319 C ILE A 87 19.342 -7.157 -3.956 1.00 0.00 C ATOM 1320 O ILE A 87 20.430 -6.872 -3.456 1.00 0.00 O ATOM 1321 CB ILE A 87 17.869 -5.789 -2.476 1.00 0.00 C ATOM 1322 CG1 ILE A 87 16.778 -5.849 -1.406 1.00 0.00 C ATOM 1323 CG2 ILE A 87 17.516 -4.765 -3.544 1.00 0.00 C ATOM 1324 CD1 ILE A 87 17.290 -6.258 -0.042 1.00 0.00 C ATOM 0 H ILE A 87 18.443 -7.904 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 87 17.219 -7.404 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 87 18.801 -5.483 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.303 -4.871 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 87 16.009 -6.553 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 87 17.375 -3.789 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 87 18.324 -4.707 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.596 -5.065 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.462 -6.279 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.740 -7.249 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 87 18.038 -5.541 0.296 1.00 0.00 H new ATOM 1336 N LYS A 88 19.195 -7.458 -5.242 1.00 0.00 N ATOM 1337 CA LYS A 88 20.328 -7.471 -6.160 1.00 0.00 C ATOM 1338 C LYS A 88 20.924 -6.075 -6.308 1.00 0.00 C ATOM 1339 O LYS A 88 22.111 -5.924 -6.598 1.00 0.00 O ATOM 1340 CB LYS A 88 19.896 -8.001 -7.529 1.00 0.00 C ATOM 1341 CG LYS A 88 19.163 -9.329 -7.463 1.00 0.00 C ATOM 1342 CD LYS A 88 20.124 -10.502 -7.564 1.00 0.00 C ATOM 1343 CE LYS A 88 20.610 -10.944 -6.192 1.00 0.00 C ATOM 1344 NZ LYS A 88 19.688 -11.935 -5.570 1.00 0.00 N ATOM 0 H LYS A 88 18.301 -7.696 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 88 21.091 -8.131 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.252 -7.264 -8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.777 -8.113 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.607 -9.393 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.434 -9.384 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 88 19.630 -11.336 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 88 20.978 -10.222 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.605 -11.380 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 88 20.701 -10.074 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.196 -12.470 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.883 -11.437 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.340 -12.590 -6.299 1.00 0.00 H new ATOM 1358 N ARG A 89 20.093 -5.057 -6.107 1.00 0.00 N ATOM 1359 CA ARG A 89 20.539 -3.673 -6.219 1.00 0.00 C ATOM 1360 C ARG A 89 21.033 -3.373 -7.631 1.00 0.00 C ATOM 1361 O ARG A 89 22.057 -2.716 -7.814 1.00 0.00 O ATOM 1362 CB ARG A 89 21.651 -3.391 -5.208 1.00 0.00 C ATOM 1363 CG ARG A 89 21.145 -3.168 -3.792 1.00 0.00 C ATOM 1364 CD ARG A 89 20.780 -1.711 -3.553 1.00 0.00 C ATOM 1365 NE ARG A 89 21.962 -0.857 -3.472 1.00 0.00 N ATOM 1366 CZ ARG A 89 21.931 0.404 -3.056 1.00 0.00 C ATOM 1367 NH1 ARG A 89 20.783 0.955 -2.686 1.00 0.00 N ATOM 1368 NH2 ARG A 89 23.049 1.117 -3.010 1.00 0.00 N ATOM 0 H ARG A 89 19.108 -5.165 -5.866 1.00 0.00 H new ATOM 0 HA ARG A 89 19.689 -3.025 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 89 22.350 -4.227 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 89 22.207 -2.510 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 89 20.273 -3.797 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 89 21.910 -3.474 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 89 20.135 -1.362 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 89 20.208 -1.627 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 89 22.861 -1.251 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.921 0.410 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.762 1.924 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 89 23.934 0.697 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 89 23.024 2.085 -2.690 1.00 0.00 H new ATOM 1382 N GLN A 90 20.297 -3.861 -8.626 1.00 0.00 N ATOM 1383 CA GLN A 90 20.661 -3.645 -10.021 1.00 0.00 C ATOM 1384 C GLN A 90 19.492 -3.058 -10.804 1.00 0.00 C ATOM 1385 O GLN A 90 19.056 -3.625 -11.807 1.00 0.00 O ATOM 1386 CB GLN A 90 21.111 -4.959 -10.661 1.00 0.00 C ATOM 1387 CG GLN A 90 22.280 -5.617 -9.945 1.00 0.00 C ATOM 1388 CD GLN A 90 23.488 -4.706 -9.842 1.00 0.00 C ATOM 1389 OE1 GLN A 90 23.796 -4.184 -8.770 1.00 0.00 O ATOM 1390 NE2 GLN A 90 24.180 -4.512 -10.958 1.00 0.00 N ATOM 0 H GLN A 90 19.446 -4.408 -8.491 1.00 0.00 H new ATOM 0 HA GLN A 90 21.486 -2.934 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 90 20.270 -5.652 -10.678 1.00 0.00 H new ATOM 0 HB3 GLN A 90 21.390 -4.771 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 90 21.967 -5.914 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 90 22.560 -6.527 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 90 23.888 -4.965 -11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 90 25.003 -3.910 -10.949 1.00 0.00 H new ATOM 1399 N HIS A 91 18.987 -1.919 -10.341 1.00 0.00 N ATOM 1400 CA HIS A 91 17.867 -1.255 -10.999 1.00 0.00 C ATOM 1401 C HIS A 91 17.723 0.182 -10.507 1.00 0.00 C ATOM 1402 O HIS A 91 17.480 0.422 -9.324 1.00 0.00 O ATOM 1403 CB HIS A 91 16.571 -2.025 -10.746 1.00 0.00 C ATOM 1404 CG HIS A 91 15.496 -1.733 -11.748 1.00 0.00 C ATOM 1405 ND1 HIS A 91 15.012 -2.477 -12.770 1.00 0.00 N flip ATOM 1406 CD2 HIS A 91 14.787 -0.551 -11.767 1.00 0.00 C flip ATOM 1407 CE1 HIS A 91 14.029 -1.739 -13.381 1.00 0.00 C flip ATOM 1408 NE2 HIS A 91 13.912 -0.581 -12.756 1.00 0.00 N flip ATOM 0 H HIS A 91 19.336 -1.436 -9.513 1.00 0.00 H new ATOM 0 HA HIS A 91 18.066 -1.236 -12.070 1.00 0.00 H new ATOM 0 HB2 HIS A 91 16.785 -3.094 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 91 16.203 -1.783 -9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.925 0.271 -11.080 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.446 -2.054 -14.234 1.00 0.00 H new ATOM 0 HE2 HIS A 91 13.257 0.163 -12.996 1.00 0.00 H new ATOM 1417 N ARG A 92 17.876 1.133 -11.422 1.00 0.00 N ATOM 1418 CA ARG A 92 17.765 2.546 -11.082 1.00 0.00 C ATOM 1419 C ARG A 92 16.625 3.204 -11.854 1.00 0.00 C ATOM 1420 O ARG A 92 16.749 3.482 -13.046 1.00 0.00 O ATOM 1421 CB ARG A 92 19.080 3.269 -11.378 1.00 0.00 C ATOM 1422 CG ARG A 92 20.101 3.160 -10.258 1.00 0.00 C ATOM 1423 CD ARG A 92 19.687 3.978 -9.045 1.00 0.00 C ATOM 1424 NE ARG A 92 18.860 3.206 -8.121 1.00 0.00 N ATOM 1425 CZ ARG A 92 18.272 3.727 -7.050 1.00 0.00 C ATOM 1426 NH1 ARG A 92 18.420 5.015 -6.770 1.00 0.00 N ATOM 1427 NH2 ARG A 92 17.535 2.961 -6.257 1.00 0.00 N ATOM 0 H ARG A 92 18.077 0.951 -12.405 1.00 0.00 H new ATOM 0 HA ARG A 92 17.549 2.621 -10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.511 2.861 -12.292 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.871 4.322 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 92 20.217 2.115 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.072 3.503 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.577 4.332 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.137 4.860 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 92 18.727 2.212 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.986 5.607 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.968 5.413 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.419 1.970 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.084 3.363 -5.435 1.00 0.00 H new ATOM 1441 N ALA A 93 15.515 3.449 -11.166 1.00 0.00 N ATOM 1442 CA ALA A 93 14.354 4.075 -11.786 1.00 0.00 C ATOM 1443 C ALA A 93 14.337 5.578 -11.529 1.00 0.00 C ATOM 1444 O ALA A 93 14.821 6.046 -10.498 1.00 0.00 O ATOM 1445 CB ALA A 93 13.072 3.435 -11.272 1.00 0.00 C ATOM 0 H ALA A 93 15.395 3.223 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 93 14.420 3.918 -12.863 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.213 3.912 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.074 2.372 -11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.010 3.562 -10.191 1.00 0.00 H new ATOM 1451 N MET A 94 13.778 6.329 -12.472 1.00 0.00 N ATOM 1452 CA MET A 94 13.698 7.779 -12.346 1.00 0.00 C ATOM 1453 C MET A 94 12.299 8.279 -12.692 1.00 0.00 C ATOM 1454 O MET A 94 11.811 8.068 -13.801 1.00 0.00 O ATOM 1455 CB MET A 94 14.731 8.449 -13.255 1.00 0.00 C ATOM 1456 CG MET A 94 16.151 8.379 -12.716 1.00 0.00 C ATOM 1457 SD MET A 94 16.335 9.224 -11.133 1.00 0.00 S ATOM 1458 CE MET A 94 16.321 10.936 -11.659 1.00 0.00 C ATOM 0 H MET A 94 13.374 5.957 -13.332 1.00 0.00 H new ATOM 0 HA MET A 94 13.912 8.041 -11.310 1.00 0.00 H new ATOM 0 HB2 MET A 94 14.700 7.976 -14.237 1.00 0.00 H new ATOM 0 HB3 MET A 94 14.456 9.494 -13.396 1.00 0.00 H new ATOM 0 HG2 MET A 94 16.441 7.335 -12.602 1.00 0.00 H new ATOM 0 HG3 MET A 94 16.833 8.822 -13.442 1.00 0.00 H new ATOM 0 HE1 MET A 94 16.550 11.579 -10.810 1.00 0.00 H new ATOM 0 HE2 MET A 94 17.069 11.083 -12.438 1.00 0.00 H new ATOM 0 HE3 MET A 94 15.335 11.189 -12.050 1.00 0.00 H new ATOM 1468 N GLY A 95 11.659 8.943 -11.734 1.00 0.00 N ATOM 1469 CA GLY A 95 10.323 9.462 -11.958 1.00 0.00 C ATOM 1470 C GLY A 95 9.284 8.783 -11.088 1.00 0.00 C ATOM 1471 O GLY A 95 9.353 8.849 -9.861 1.00 0.00 O ATOM 0 H GLY A 95 12.042 9.130 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.315 10.534 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.056 9.330 -13.007 1.00 0.00 H new ATOM 1475 N ASN A 96 8.317 8.129 -11.724 1.00 0.00 N ATOM 1476 CA ASN A 96 7.258 7.436 -11.000 1.00 0.00 C ATOM 1477 C ASN A 96 6.521 6.462 -11.914 1.00 0.00 C ATOM 1478 O ASN A 96 6.325 6.734 -13.097 1.00 0.00 O ATOM 1479 CB ASN A 96 6.271 8.445 -10.410 1.00 0.00 C ATOM 1480 CG ASN A 96 5.030 7.779 -9.848 1.00 0.00 C ATOM 1481 OD1 ASN A 96 5.104 6.705 -9.252 1.00 0.00 O ATOM 1482 ND2 ASN A 96 3.880 8.417 -10.036 1.00 0.00 N ATOM 0 H ASN A 96 8.245 8.065 -12.739 1.00 0.00 H new ATOM 0 HA ASN A 96 7.717 6.869 -10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.764 9.013 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.980 9.158 -11.181 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.011 8.018 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.866 9.306 -10.536 1.00 0.00 H new ATOM 1489 N GLU A 97 6.115 5.326 -11.354 1.00 0.00 N ATOM 1490 CA GLU A 97 5.400 4.312 -12.120 1.00 0.00 C ATOM 1491 C GLU A 97 4.046 4.837 -12.589 1.00 0.00 C ATOM 1492 O GLU A 97 3.015 4.559 -11.977 1.00 0.00 O ATOM 1493 CB GLU A 97 5.205 3.049 -11.278 1.00 0.00 C ATOM 1494 CG GLU A 97 6.486 2.264 -11.053 1.00 0.00 C ATOM 1495 CD GLU A 97 6.232 0.788 -10.817 1.00 0.00 C ATOM 1496 OE1 GLU A 97 5.469 0.185 -11.600 1.00 0.00 O ATOM 1497 OE2 GLU A 97 6.796 0.235 -9.849 1.00 0.00 O ATOM 0 H GLU A 97 6.269 5.086 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 97 5.999 4.067 -12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.785 3.328 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.475 2.405 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.137 2.383 -11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.016 2.679 -10.196 1.00 0.00 H new ATOM 1504 N CYS A 98 4.059 5.599 -13.677 1.00 0.00 N ATOM 1505 CA CYS A 98 2.833 6.166 -14.228 1.00 0.00 C ATOM 1506 C CYS A 98 2.179 5.197 -15.207 1.00 0.00 C ATOM 1507 O CYS A 98 2.841 4.374 -15.841 1.00 0.00 O ATOM 1508 CB CYS A 98 3.129 7.494 -14.926 1.00 0.00 C ATOM 1509 SG CYS A 98 3.443 8.869 -13.795 1.00 0.00 S ATOM 0 H CYS A 98 4.904 5.838 -14.195 1.00 0.00 H new ATOM 0 HA CYS A 98 2.142 6.344 -13.404 1.00 0.00 H new ATOM 0 HB2 CYS A 98 3.996 7.366 -15.574 1.00 0.00 H new ATOM 0 HB3 CYS A 98 2.286 7.751 -15.568 1.00 0.00 H new ATOM 0 HG CYS A 98 3.685 9.947 -14.480 1.00 0.00 H new ATOM 1515 N PRO A 99 0.847 5.294 -15.335 1.00 0.00 N ATOM 1516 CA PRO A 99 0.074 4.433 -16.235 1.00 0.00 C ATOM 1517 C PRO A 99 0.335 4.746 -17.704 1.00 0.00 C ATOM 1518 O PRO A 99 1.016 5.718 -18.029 1.00 0.00 O ATOM 1519 CB PRO A 99 -1.378 4.752 -15.870 1.00 0.00 C ATOM 1520 CG PRO A 99 -1.333 6.131 -15.308 1.00 0.00 C ATOM 1521 CD PRO A 99 -0.006 6.251 -14.611 1.00 0.00 C ATOM 0 HA PRO A 99 0.337 3.382 -16.118 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.026 4.702 -16.745 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -1.769 4.041 -15.143 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.428 6.877 -16.097 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.156 6.296 -14.612 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.389 7.265 -14.670 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.084 6.000 -13.553 1.00 0.00 H new ATOM 1529 N ALA A 100 -0.210 3.916 -18.587 1.00 0.00 N ATOM 1530 CA ALA A 100 -0.037 4.107 -20.022 1.00 0.00 C ATOM 1531 C ALA A 100 -1.211 4.876 -20.619 1.00 0.00 C ATOM 1532 O ALA A 100 -2.331 4.368 -20.681 1.00 0.00 O ATOM 1533 CB ALA A 100 0.125 2.763 -20.717 1.00 0.00 C ATOM 0 H ALA A 100 -0.775 3.105 -18.334 1.00 0.00 H new ATOM 0 HA ALA A 100 0.866 4.696 -20.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.253 2.920 -21.788 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.000 2.250 -20.318 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.762 2.154 -20.543 1.00 0.00 H new ATOM 1539 N SER A 101 -0.947 6.103 -21.057 1.00 0.00 N ATOM 1540 CA SER A 101 -1.983 6.943 -21.645 1.00 0.00 C ATOM 1541 C SER A 101 -1.775 7.090 -23.150 1.00 0.00 C ATOM 1542 O SER A 101 -0.946 7.881 -23.599 1.00 0.00 O ATOM 1543 CB SER A 101 -1.988 8.322 -20.983 1.00 0.00 C ATOM 1544 OG SER A 101 -2.547 8.261 -19.682 1.00 0.00 O ATOM 0 H SER A 101 -0.025 6.537 -21.016 1.00 0.00 H new ATOM 0 HA SER A 101 -2.946 6.462 -21.474 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.969 8.706 -20.927 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.558 9.021 -21.595 1.00 0.00 H new ATOM 0 HG SER A 101 -2.537 9.154 -19.280 1.00 0.00 H new ATOM 1550 N GLY A 102 -2.534 6.321 -23.924 1.00 0.00 N ATOM 1551 CA GLY A 102 -2.418 6.379 -25.369 1.00 0.00 C ATOM 1552 C GLY A 102 -3.700 5.975 -26.071 1.00 0.00 C ATOM 1553 O GLY A 102 -4.788 6.026 -25.498 1.00 0.00 O ATOM 0 H GLY A 102 -3.227 5.659 -23.576 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.147 7.392 -25.668 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.609 5.724 -25.692 1.00 0.00 H new ATOM 1557 N PRO A 103 -3.579 5.562 -27.341 1.00 0.00 N ATOM 1558 CA PRO A 103 -4.727 5.140 -28.149 1.00 0.00 C ATOM 1559 C PRO A 103 -5.316 3.817 -27.673 1.00 0.00 C ATOM 1560 O PRO A 103 -6.534 3.647 -27.636 1.00 0.00 O ATOM 1561 CB PRO A 103 -4.136 4.988 -29.553 1.00 0.00 C ATOM 1562 CG PRO A 103 -2.689 4.714 -29.327 1.00 0.00 C ATOM 1563 CD PRO A 103 -2.312 5.476 -28.087 1.00 0.00 C ATOM 0 HA PRO A 103 -5.549 5.853 -28.093 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.613 4.173 -30.097 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.280 5.893 -30.143 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.509 3.647 -29.199 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.093 5.037 -30.180 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.543 4.957 -27.515 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.919 6.464 -28.326 1.00 0.00 H new ATOM 1571 N SER A 104 -4.443 2.883 -27.308 1.00 0.00 N ATOM 1572 CA SER A 104 -4.878 1.573 -26.837 1.00 0.00 C ATOM 1573 C SER A 104 -5.184 1.608 -25.343 1.00 0.00 C ATOM 1574 O SER A 104 -4.305 1.874 -24.523 1.00 0.00 O ATOM 1575 CB SER A 104 -3.804 0.522 -27.124 1.00 0.00 C ATOM 1576 OG SER A 104 -2.633 0.769 -26.365 1.00 0.00 O ATOM 0 H SER A 104 -3.431 3.009 -27.329 1.00 0.00 H new ATOM 0 HA SER A 104 -5.790 1.306 -27.372 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.190 -0.470 -26.890 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.560 0.527 -28.186 1.00 0.00 H new ATOM 0 HG SER A 104 -2.873 1.230 -25.534 1.00 0.00 H new ATOM 1582 N SER A 105 -6.439 1.337 -24.996 1.00 0.00 N ATOM 1583 CA SER A 105 -6.864 1.340 -23.601 1.00 0.00 C ATOM 1584 C SER A 105 -6.256 0.163 -22.845 1.00 0.00 C ATOM 1585 O SER A 105 -6.872 -0.895 -22.720 1.00 0.00 O ATOM 1586 CB SER A 105 -8.390 1.285 -23.512 1.00 0.00 C ATOM 1587 OG SER A 105 -8.978 2.429 -24.105 1.00 0.00 O ATOM 0 H SER A 105 -7.179 1.113 -25.662 1.00 0.00 H new ATOM 0 HA SER A 105 -6.513 2.264 -23.141 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.754 0.386 -24.010 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.694 1.216 -22.468 1.00 0.00 H new ATOM 0 HG SER A 105 -9.954 2.368 -24.036 1.00 0.00 H new ATOM 1593 N GLY A 106 -5.040 0.356 -22.341 1.00 0.00 N ATOM 1594 CA GLY A 106 -4.368 -0.697 -21.603 1.00 0.00 C ATOM 1595 C GLY A 106 -3.311 -0.159 -20.659 1.00 0.00 C ATOM 1596 O GLY A 106 -3.503 0.882 -20.031 1.00 0.00 O ATOM 0 H GLY A 106 -4.509 1.222 -22.431 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.104 -1.264 -21.034 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -3.905 -1.390 -22.305 1.00 0.00 H new TER 1600 GLY A 106