USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 716 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 45 THR OG1 : rot 26:sc= 0.619 USER MOD Set 1.2: A 74 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.294 K(o=0.25,f=-2.7) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 35 GLN : amide:sc= -0.0468 K(o=0.25,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.882 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= -0.122 (180deg=-0.135) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc= -0.0887 USER MOD Single : A 25 THR OG1 : rot 30:sc= 0.0713 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.152 (180deg=-0.546) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.334) USER MOD Single : A 39 SER OG : rot 38:sc= 0.646 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -1.41! (180deg=-2.17) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 57 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.95) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 67 GLN : amide:sc= -0.0409 K(o=-0.041,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.283 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.044) USER MOD Single : A 84 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.2!) USER MOD Single : A 85 SER OG : rot -160:sc= -0.526 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 34:sc= 0.353 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.337 13.338 10.753 1.00 0.00 N ATOM 2 CA GLY A 1 9.613 13.832 11.234 1.00 0.00 C ATOM 3 C GLY A 1 10.727 13.643 10.222 1.00 0.00 C ATOM 4 O GLY A 1 10.615 14.083 9.078 1.00 0.00 O ATOM 0 H1 GLY A 1 7.609 13.490 11.480 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.072 13.848 9.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.414 12.321 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.521 14.891 11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.874 13.316 12.158 1.00 0.00 H new ATOM 8 N SER A 2 11.804 12.990 10.645 1.00 0.00 N ATOM 9 CA SER A 2 12.944 12.749 9.769 1.00 0.00 C ATOM 10 C SER A 2 13.231 11.255 9.648 1.00 0.00 C ATOM 11 O SER A 2 12.693 10.446 10.404 1.00 0.00 O ATOM 12 CB SER A 2 14.183 13.476 10.298 1.00 0.00 C ATOM 13 OG SER A 2 14.038 14.881 10.182 1.00 0.00 O ATOM 0 H SER A 2 11.911 12.618 11.589 1.00 0.00 H new ATOM 0 HA SER A 2 12.698 13.135 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.347 13.209 11.342 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.064 13.151 9.744 1.00 0.00 H new ATOM 0 HG SER A 2 14.842 15.322 10.528 1.00 0.00 H new ATOM 19 N SER A 3 14.081 10.898 8.691 1.00 0.00 N ATOM 20 CA SER A 3 14.437 9.501 8.467 1.00 0.00 C ATOM 21 C SER A 3 15.399 9.007 9.543 1.00 0.00 C ATOM 22 O SER A 3 16.071 9.798 10.202 1.00 0.00 O ATOM 23 CB SER A 3 15.068 9.330 7.084 1.00 0.00 C ATOM 24 OG SER A 3 14.077 9.293 6.072 1.00 0.00 O ATOM 0 H SER A 3 14.536 11.556 8.058 1.00 0.00 H new ATOM 0 HA SER A 3 13.525 8.906 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.758 10.152 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.652 8.410 7.059 1.00 0.00 H new ATOM 0 HG SER A 3 14.506 9.185 5.198 1.00 0.00 H new ATOM 30 N GLY A 4 15.459 7.689 9.714 1.00 0.00 N ATOM 31 CA GLY A 4 16.340 7.110 10.711 1.00 0.00 C ATOM 32 C GLY A 4 16.809 5.719 10.332 1.00 0.00 C ATOM 33 O GLY A 4 16.867 5.376 9.151 1.00 0.00 O ATOM 0 H GLY A 4 14.913 7.013 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.206 7.758 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.821 7.067 11.669 1.00 0.00 H new ATOM 37 N SER A 5 17.147 4.916 11.336 1.00 0.00 N ATOM 38 CA SER A 5 17.618 3.556 11.102 1.00 0.00 C ATOM 39 C SER A 5 16.459 2.565 11.138 1.00 0.00 C ATOM 40 O SER A 5 16.285 1.763 10.221 1.00 0.00 O ATOM 41 CB SER A 5 18.667 3.171 12.147 1.00 0.00 C ATOM 42 OG SER A 5 19.263 1.924 11.835 1.00 0.00 O ATOM 0 H SER A 5 17.103 5.184 12.319 1.00 0.00 H new ATOM 0 HA SER A 5 18.072 3.520 10.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.435 3.943 12.197 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.202 3.119 13.132 1.00 0.00 H new ATOM 0 HG SER A 5 19.931 1.701 12.517 1.00 0.00 H new ATOM 48 N SER A 6 15.669 2.628 12.205 1.00 0.00 N ATOM 49 CA SER A 6 14.527 1.734 12.364 1.00 0.00 C ATOM 50 C SER A 6 13.325 2.242 11.574 1.00 0.00 C ATOM 51 O SER A 6 12.497 2.988 12.095 1.00 0.00 O ATOM 52 CB SER A 6 14.161 1.599 13.843 1.00 0.00 C ATOM 53 OG SER A 6 13.805 2.854 14.397 1.00 0.00 O ATOM 0 H SER A 6 15.798 3.288 12.972 1.00 0.00 H new ATOM 0 HA SER A 6 14.806 0.755 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.331 0.901 13.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.004 1.181 14.393 1.00 0.00 H new ATOM 0 HG SER A 6 13.221 3.334 13.773 1.00 0.00 H new ATOM 59 N GLY A 7 13.237 1.831 10.313 1.00 0.00 N ATOM 60 CA GLY A 7 12.133 2.254 9.470 1.00 0.00 C ATOM 61 C GLY A 7 12.594 2.737 8.109 1.00 0.00 C ATOM 62 O GLY A 7 12.324 3.873 7.723 1.00 0.00 O ATOM 0 H GLY A 7 13.910 1.213 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.439 1.423 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.584 3.053 9.969 1.00 0.00 H new ATOM 66 N GLN A 8 13.294 1.872 7.382 1.00 0.00 N ATOM 67 CA GLN A 8 13.796 2.218 6.058 1.00 0.00 C ATOM 68 C GLN A 8 12.734 1.968 4.991 1.00 0.00 C ATOM 69 O GLN A 8 13.020 1.394 3.941 1.00 0.00 O ATOM 70 CB GLN A 8 15.055 1.410 5.740 1.00 0.00 C ATOM 71 CG GLN A 8 15.979 2.092 4.743 1.00 0.00 C ATOM 72 CD GLN A 8 16.977 1.134 4.122 1.00 0.00 C ATOM 73 OE1 GLN A 8 17.018 -0.047 4.467 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.788 1.639 3.200 1.00 0.00 N ATOM 0 H GLN A 8 13.526 0.927 7.688 1.00 0.00 H new ATOM 0 HA GLN A 8 14.044 3.279 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.603 1.227 6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.762 0.437 5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.382 2.550 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.517 2.897 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.719 2.624 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.480 1.042 2.747 1.00 0.00 H new ATOM 83 N ALA A 9 11.510 2.402 5.269 1.00 0.00 N ATOM 84 CA ALA A 9 10.406 2.227 4.333 1.00 0.00 C ATOM 85 C ALA A 9 9.384 3.350 4.473 1.00 0.00 C ATOM 86 O ALA A 9 8.926 3.652 5.576 1.00 0.00 O ATOM 87 CB ALA A 9 9.741 0.876 4.548 1.00 0.00 C ATOM 0 H ALA A 9 11.257 2.878 6.135 1.00 0.00 H new ATOM 0 HA ALA A 9 10.811 2.264 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.919 0.759 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.471 0.082 4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.357 0.818 5.566 1.00 0.00 H new ATOM 93 N ASP A 10 9.031 3.966 3.350 1.00 0.00 N ATOM 94 CA ASP A 10 8.062 5.056 3.348 1.00 0.00 C ATOM 95 C ASP A 10 6.854 4.707 2.484 1.00 0.00 C ATOM 96 O ASP A 10 6.741 5.161 1.346 1.00 0.00 O ATOM 97 CB ASP A 10 8.713 6.344 2.841 1.00 0.00 C ATOM 98 CG ASP A 10 10.044 6.622 3.511 1.00 0.00 C ATOM 99 OD1 ASP A 10 10.940 5.756 3.434 1.00 0.00 O ATOM 100 OD2 ASP A 10 10.190 7.707 4.111 1.00 0.00 O ATOM 0 H ASP A 10 9.401 3.729 2.430 1.00 0.00 H new ATOM 0 HA ASP A 10 7.721 5.209 4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.860 6.274 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.039 7.182 3.017 1.00 0.00 H new ATOM 105 N ALA A 11 5.955 3.897 3.033 1.00 0.00 N ATOM 106 CA ALA A 11 4.755 3.489 2.313 1.00 0.00 C ATOM 107 C ALA A 11 4.119 4.671 1.590 1.00 0.00 C ATOM 108 O ALA A 11 3.764 4.575 0.416 1.00 0.00 O ATOM 109 CB ALA A 11 3.756 2.853 3.269 1.00 0.00 C ATOM 0 H ALA A 11 6.035 3.511 3.974 1.00 0.00 H new ATOM 0 HA ALA A 11 5.044 2.752 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.865 2.553 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.206 1.977 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.481 3.573 4.040 1.00 0.00 H new ATOM 115 N GLY A 12 3.977 5.786 2.299 1.00 0.00 N ATOM 116 CA GLY A 12 3.383 6.971 1.708 1.00 0.00 C ATOM 117 C GLY A 12 2.384 7.640 2.631 1.00 0.00 C ATOM 118 O GLY A 12 2.115 7.169 3.736 1.00 0.00 O ATOM 0 H GLY A 12 4.263 5.890 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.171 7.681 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.887 6.699 0.776 1.00 0.00 H new ATOM 122 N PRO A 13 1.816 8.768 2.177 1.00 0.00 N ATOM 123 CA PRO A 13 0.833 9.528 2.955 1.00 0.00 C ATOM 124 C PRO A 13 -0.497 8.793 3.083 1.00 0.00 C ATOM 125 O PRO A 13 -0.772 7.852 2.339 1.00 0.00 O ATOM 126 CB PRO A 13 0.657 10.814 2.144 1.00 0.00 C ATOM 127 CG PRO A 13 1.019 10.435 0.749 1.00 0.00 C ATOM 128 CD PRO A 13 2.090 9.387 0.869 1.00 0.00 C ATOM 0 HA PRO A 13 1.165 9.696 3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.368 11.181 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.302 11.609 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.153 10.048 0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.379 11.299 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.032 8.659 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.087 9.825 0.833 1.00 0.00 H new ATOM 136 N ASP A 14 -1.319 9.230 4.031 1.00 0.00 N ATOM 137 CA ASP A 14 -2.622 8.615 4.256 1.00 0.00 C ATOM 138 C ASP A 14 -3.393 8.480 2.947 1.00 0.00 C ATOM 139 O ASP A 14 -3.251 9.304 2.043 1.00 0.00 O ATOM 140 CB ASP A 14 -3.433 9.439 5.258 1.00 0.00 C ATOM 141 CG ASP A 14 -4.149 10.604 4.603 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.610 11.156 3.622 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.250 10.963 5.072 1.00 0.00 O ATOM 0 H ASP A 14 -1.106 10.008 4.656 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.459 7.618 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.164 8.795 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.769 9.815 6.036 1.00 0.00 H new ATOM 148 N LYS A 15 -4.208 7.436 2.851 1.00 0.00 N ATOM 149 CA LYS A 15 -5.003 7.192 1.653 1.00 0.00 C ATOM 150 C LYS A 15 -6.485 7.422 1.926 1.00 0.00 C ATOM 151 O LYS A 15 -7.037 6.890 2.889 1.00 0.00 O ATOM 152 CB LYS A 15 -4.782 5.763 1.151 1.00 0.00 C ATOM 153 CG LYS A 15 -3.428 5.551 0.494 1.00 0.00 C ATOM 154 CD LYS A 15 -3.476 5.859 -0.993 1.00 0.00 C ATOM 155 CE LYS A 15 -2.080 5.947 -1.589 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.326 4.673 -1.426 1.00 0.00 N ATOM 0 H LYS A 15 -4.336 6.744 3.589 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.680 7.895 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.882 5.073 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.566 5.512 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.686 6.188 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.108 4.520 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.044 5.085 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.002 6.800 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.152 6.193 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.531 6.758 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.368 4.785 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.264 4.433 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.819 3.911 -1.933 1.00 0.00 H new ATOM 170 N GLU A 16 -7.124 8.216 1.073 1.00 0.00 N ATOM 171 CA GLU A 16 -8.543 8.515 1.224 1.00 0.00 C ATOM 172 C GLU A 16 -9.279 8.349 -0.103 1.00 0.00 C ATOM 173 O GLU A 16 -9.112 9.151 -1.023 1.00 0.00 O ATOM 174 CB GLU A 16 -8.734 9.939 1.751 1.00 0.00 C ATOM 175 CG GLU A 16 -9.993 10.116 2.583 1.00 0.00 C ATOM 176 CD GLU A 16 -10.354 11.574 2.792 1.00 0.00 C ATOM 177 OE1 GLU A 16 -11.075 12.135 1.941 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.914 12.153 3.807 1.00 0.00 O ATOM 0 H GLU A 16 -6.682 8.664 0.270 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.962 7.810 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.868 10.213 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.766 10.628 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.823 9.607 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.854 9.638 3.552 1.00 0.00 H new ATOM 185 N LEU A 17 -10.092 7.302 -0.195 1.00 0.00 N ATOM 186 CA LEU A 17 -10.853 7.029 -1.409 1.00 0.00 C ATOM 187 C LEU A 17 -12.337 7.311 -1.196 1.00 0.00 C ATOM 188 O LEU A 17 -12.838 7.249 -0.073 1.00 0.00 O ATOM 189 CB LEU A 17 -10.656 5.575 -1.842 1.00 0.00 C ATOM 190 CG LEU A 17 -9.210 5.080 -1.890 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.164 3.561 -1.819 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.517 5.578 -3.150 1.00 0.00 C ATOM 0 H LEU A 17 -10.241 6.629 0.556 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.485 7.689 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.216 4.935 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.095 5.449 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.680 5.480 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.127 3.226 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.622 3.226 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.710 3.141 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.489 5.216 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.047 5.207 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.518 6.668 -3.159 1.00 0.00 H new ATOM 204 N THR A 18 -13.037 7.620 -2.283 1.00 0.00 N ATOM 205 CA THR A 18 -14.464 7.911 -2.216 1.00 0.00 C ATOM 206 C THR A 18 -15.236 7.120 -3.266 1.00 0.00 C ATOM 207 O THR A 18 -15.011 7.278 -4.467 1.00 0.00 O ATOM 208 CB THR A 18 -14.741 9.413 -2.415 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.944 10.182 -1.508 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.214 9.725 -2.195 1.00 0.00 C ATOM 0 H THR A 18 -12.639 7.675 -3.220 1.00 0.00 H new ATOM 0 HA THR A 18 -14.801 7.616 -1.222 1.00 0.00 H new ATOM 0 HB THR A 18 -14.480 9.676 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.124 11.136 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.386 10.791 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.816 9.160 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.497 9.447 -1.180 1.00 0.00 H new ATOM 218 N LEU A 19 -16.146 6.268 -2.807 1.00 0.00 N ATOM 219 CA LEU A 19 -16.953 5.452 -3.708 1.00 0.00 C ATOM 220 C LEU A 19 -17.441 6.273 -4.897 1.00 0.00 C ATOM 221 O LEU A 19 -17.554 7.498 -4.832 1.00 0.00 O ATOM 222 CB LEU A 19 -18.147 4.859 -2.958 1.00 0.00 C ATOM 223 CG LEU A 19 -17.845 3.664 -2.053 1.00 0.00 C ATOM 224 CD1 LEU A 19 -19.059 3.315 -1.206 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.409 2.464 -2.882 1.00 0.00 C ATOM 0 H LEU A 19 -16.344 6.124 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.328 4.641 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.596 5.645 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.896 4.555 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.028 3.936 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.825 2.462 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.327 4.170 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.896 3.063 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.198 1.623 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.206 2.191 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.511 2.718 -3.445 1.00 0.00 H new ATOM 237 N PRO A 20 -17.741 5.585 -6.008 1.00 0.00 N ATOM 238 CA PRO A 20 -17.611 4.128 -6.097 1.00 0.00 C ATOM 239 C PRO A 20 -16.155 3.675 -6.091 1.00 0.00 C ATOM 240 O PRO A 20 -15.866 2.478 -6.097 1.00 0.00 O ATOM 241 CB PRO A 20 -18.269 3.793 -7.437 1.00 0.00 C ATOM 242 CG PRO A 20 -18.141 5.039 -8.244 1.00 0.00 C ATOM 243 CD PRO A 20 -18.230 6.177 -7.265 1.00 0.00 C ATOM 0 HA PRO A 20 -18.069 3.626 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.772 2.954 -7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.314 3.512 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.193 5.060 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.933 5.104 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.617 7.023 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.252 6.543 -7.166 1.00 0.00 H new ATOM 251 N VAL A 21 -15.240 4.639 -6.078 1.00 0.00 N ATOM 252 CA VAL A 21 -13.813 4.339 -6.070 1.00 0.00 C ATOM 253 C VAL A 21 -13.477 3.296 -5.010 1.00 0.00 C ATOM 254 O VAL A 21 -13.233 3.630 -3.851 1.00 0.00 O ATOM 255 CB VAL A 21 -12.974 5.605 -5.812 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.490 5.272 -5.813 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.290 6.673 -6.849 1.00 0.00 C ATOM 0 H VAL A 21 -15.462 5.635 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.567 3.944 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.233 5.997 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.914 6.179 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.280 4.543 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.211 4.855 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.689 7.561 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.061 6.293 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.347 6.932 -6.794 1.00 0.00 H new ATOM 267 N ASP A 22 -13.465 2.031 -5.416 1.00 0.00 N ATOM 268 CA ASP A 22 -13.157 0.937 -4.501 1.00 0.00 C ATOM 269 C ASP A 22 -11.828 0.284 -4.864 1.00 0.00 C ATOM 270 O ASP A 22 -11.683 -0.936 -4.787 1.00 0.00 O ATOM 271 CB ASP A 22 -14.276 -0.106 -4.525 1.00 0.00 C ATOM 272 CG ASP A 22 -14.584 -0.592 -5.927 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.864 -1.488 -6.416 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.546 -0.079 -6.535 1.00 0.00 O ATOM 0 H ASP A 22 -13.665 1.737 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.076 1.348 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.991 -0.955 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.177 0.322 -4.086 1.00 0.00 H new ATOM 279 N SER A 23 -10.860 1.104 -5.261 1.00 0.00 N ATOM 280 CA SER A 23 -9.543 0.605 -5.640 1.00 0.00 C ATOM 281 C SER A 23 -8.490 1.703 -5.518 1.00 0.00 C ATOM 282 O SER A 23 -8.761 2.872 -5.792 1.00 0.00 O ATOM 283 CB SER A 23 -9.572 0.067 -7.072 1.00 0.00 C ATOM 284 OG SER A 23 -10.003 1.063 -7.983 1.00 0.00 O ATOM 0 H SER A 23 -10.963 2.117 -5.329 1.00 0.00 H new ATOM 0 HA SER A 23 -9.278 -0.205 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.578 -0.281 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.239 -0.793 -7.127 1.00 0.00 H new ATOM 0 HG SER A 23 -10.011 0.694 -8.891 1.00 0.00 H new ATOM 290 N THR A 24 -7.287 1.317 -5.105 1.00 0.00 N ATOM 291 CA THR A 24 -6.193 2.266 -4.945 1.00 0.00 C ATOM 292 C THR A 24 -4.852 1.620 -5.271 1.00 0.00 C ATOM 293 O THR A 24 -4.764 0.405 -5.454 1.00 0.00 O ATOM 294 CB THR A 24 -6.144 2.830 -3.512 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.328 4.006 -3.477 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.593 1.796 -2.542 1.00 0.00 C ATOM 0 H THR A 24 -7.046 0.353 -4.875 1.00 0.00 H new ATOM 0 HA THR A 24 -6.378 3.082 -5.643 1.00 0.00 H new ATOM 0 HB THR A 24 -7.160 3.083 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.606 4.618 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.568 2.217 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.232 0.913 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.584 1.516 -2.843 1.00 0.00 H new ATOM 304 N THR A 25 -3.807 2.439 -5.342 1.00 0.00 N ATOM 305 CA THR A 25 -2.469 1.946 -5.647 1.00 0.00 C ATOM 306 C THR A 25 -1.483 2.315 -4.544 1.00 0.00 C ATOM 307 O THR A 25 -1.393 3.476 -4.141 1.00 0.00 O ATOM 308 CB THR A 25 -1.957 2.506 -6.987 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.099 3.930 -7.010 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.718 1.896 -8.155 1.00 0.00 C ATOM 0 H THR A 25 -3.861 3.447 -5.192 1.00 0.00 H new ATOM 0 HA THR A 25 -2.540 0.861 -5.719 1.00 0.00 H new ATOM 0 HB THR A 25 -0.903 2.245 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.023 4.281 -6.098 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.339 2.307 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.583 0.814 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.779 2.129 -8.060 1.00 0.00 H new ATOM 318 N LEU A 26 -0.745 1.323 -4.061 1.00 0.00 N ATOM 319 CA LEU A 26 0.236 1.543 -3.004 1.00 0.00 C ATOM 320 C LEU A 26 1.647 1.621 -3.579 1.00 0.00 C ATOM 321 O LEU A 26 2.358 0.618 -3.642 1.00 0.00 O ATOM 322 CB LEU A 26 0.157 0.423 -1.965 1.00 0.00 C ATOM 323 CG LEU A 26 -1.225 0.158 -1.367 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.307 -1.258 -0.819 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.538 1.174 -0.278 1.00 0.00 C ATOM 0 H LEU A 26 -0.807 0.358 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 26 0.007 2.493 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.514 -0.498 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.843 0.660 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.968 0.262 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.298 -1.428 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.128 -1.971 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.554 -1.392 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.525 0.970 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.791 1.102 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.522 2.178 -0.702 1.00 0.00 H new ATOM 337 N ASP A 27 2.045 2.818 -3.995 1.00 0.00 N ATOM 338 CA ASP A 27 3.373 3.028 -4.561 1.00 0.00 C ATOM 339 C ASP A 27 4.418 3.169 -3.459 1.00 0.00 C ATOM 340 O ASP A 27 4.376 4.109 -2.667 1.00 0.00 O ATOM 341 CB ASP A 27 3.380 4.272 -5.451 1.00 0.00 C ATOM 342 CG ASP A 27 3.557 5.551 -4.657 1.00 0.00 C ATOM 343 OD1 ASP A 27 2.539 6.105 -4.191 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.712 5.998 -4.501 1.00 0.00 O ATOM 0 H ASP A 27 1.468 3.658 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 27 3.625 2.157 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.184 4.188 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.445 4.321 -6.009 1.00 0.00 H new ATOM 349 N GLY A 28 5.355 2.227 -3.414 1.00 0.00 N ATOM 350 CA GLY A 28 6.397 2.264 -2.405 1.00 0.00 C ATOM 351 C GLY A 28 7.738 2.687 -2.971 1.00 0.00 C ATOM 352 O GLY A 28 8.785 2.239 -2.506 1.00 0.00 O ATOM 0 H GLY A 28 5.411 1.439 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.107 2.954 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.493 1.278 -1.950 1.00 0.00 H new ATOM 356 N SER A 29 7.706 3.553 -3.980 1.00 0.00 N ATOM 357 CA SER A 29 8.928 4.033 -4.614 1.00 0.00 C ATOM 358 C SER A 29 9.561 5.154 -3.795 1.00 0.00 C ATOM 359 O SER A 29 10.783 5.232 -3.667 1.00 0.00 O ATOM 360 CB SER A 29 8.632 4.526 -6.031 1.00 0.00 C ATOM 361 OG SER A 29 8.765 3.477 -6.975 1.00 0.00 O ATOM 0 H SER A 29 6.847 3.936 -4.375 1.00 0.00 H new ATOM 0 HA SER A 29 9.632 3.202 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.621 4.932 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.313 5.338 -6.287 1.00 0.00 H new ATOM 0 HG SER A 29 8.569 3.818 -7.873 1.00 0.00 H new ATOM 367 N LYS A 30 8.720 6.021 -3.241 1.00 0.00 N ATOM 368 CA LYS A 30 9.194 7.138 -2.433 1.00 0.00 C ATOM 369 C LYS A 30 10.355 6.710 -1.542 1.00 0.00 C ATOM 370 O LYS A 30 11.330 7.445 -1.381 1.00 0.00 O ATOM 371 CB LYS A 30 8.055 7.692 -1.574 1.00 0.00 C ATOM 372 CG LYS A 30 7.088 8.576 -2.342 1.00 0.00 C ATOM 373 CD LYS A 30 5.757 8.704 -1.622 1.00 0.00 C ATOM 374 CE LYS A 30 5.057 10.009 -1.971 1.00 0.00 C ATOM 375 NZ LYS A 30 5.817 11.193 -1.484 1.00 0.00 N ATOM 0 H LYS A 30 7.706 5.971 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 30 9.545 7.919 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.504 6.860 -1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.479 8.263 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.526 9.565 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.926 8.161 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.116 7.864 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.918 8.653 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.933 10.077 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.058 10.014 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.163 11.987 -1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.290 10.957 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.530 11.463 -2.191 1.00 0.00 H new ATOM 389 N SER A 31 10.245 5.518 -0.965 1.00 0.00 N ATOM 390 CA SER A 31 11.286 4.994 -0.088 1.00 0.00 C ATOM 391 C SER A 31 12.670 5.405 -0.581 1.00 0.00 C ATOM 392 O SER A 31 12.885 5.591 -1.779 1.00 0.00 O ATOM 393 CB SER A 31 11.194 3.468 -0.008 1.00 0.00 C ATOM 394 OG SER A 31 12.214 2.939 0.821 1.00 0.00 O ATOM 0 H SER A 31 9.446 4.897 -1.089 1.00 0.00 H new ATOM 0 HA SER A 31 11.134 5.414 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.218 3.179 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.277 3.043 -1.008 1.00 0.00 H new ATOM 0 HG SER A 31 12.133 1.963 0.857 1.00 0.00 H new ATOM 400 N SER A 32 13.606 5.546 0.352 1.00 0.00 N ATOM 401 CA SER A 32 14.969 5.940 0.015 1.00 0.00 C ATOM 402 C SER A 32 15.417 5.283 -1.287 1.00 0.00 C ATOM 403 O SER A 32 15.465 4.057 -1.392 1.00 0.00 O ATOM 404 CB SER A 32 15.926 5.562 1.147 1.00 0.00 C ATOM 405 OG SER A 32 17.124 6.315 1.074 1.00 0.00 O ATOM 0 H SER A 32 13.445 5.393 1.348 1.00 0.00 H new ATOM 0 HA SER A 32 14.987 7.022 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.443 5.734 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.157 4.498 1.092 1.00 0.00 H new ATOM 0 HG SER A 32 17.718 6.056 1.809 1.00 0.00 H new ATOM 411 N ASP A 33 15.745 6.107 -2.276 1.00 0.00 N ATOM 412 CA ASP A 33 16.192 5.607 -3.571 1.00 0.00 C ATOM 413 C ASP A 33 17.678 5.266 -3.539 1.00 0.00 C ATOM 414 O ASP A 33 18.105 4.255 -4.098 1.00 0.00 O ATOM 415 CB ASP A 33 15.917 6.643 -4.663 1.00 0.00 C ATOM 416 CG ASP A 33 16.332 6.158 -6.038 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.756 5.156 -6.512 1.00 0.00 O ATOM 418 OD2 ASP A 33 17.233 6.779 -6.640 1.00 0.00 O ATOM 0 H ASP A 33 15.710 7.124 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 33 15.634 4.697 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.854 6.884 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.451 7.564 -4.429 1.00 0.00 H new ATOM 423 N ASP A 34 18.461 6.115 -2.883 1.00 0.00 N ATOM 424 CA ASP A 34 19.900 5.904 -2.778 1.00 0.00 C ATOM 425 C ASP A 34 20.220 4.422 -2.609 1.00 0.00 C ATOM 426 O ASP A 34 20.808 3.800 -3.494 1.00 0.00 O ATOM 427 CB ASP A 34 20.469 6.698 -1.601 1.00 0.00 C ATOM 428 CG ASP A 34 19.995 8.138 -1.592 1.00 0.00 C ATOM 429 OD1 ASP A 34 20.570 8.956 -2.340 1.00 0.00 O ATOM 430 OD2 ASP A 34 19.050 8.447 -0.836 1.00 0.00 O ATOM 0 H ASP A 34 18.123 6.956 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 34 20.362 6.255 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.178 6.217 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.558 6.677 -1.645 1.00 0.00 H new ATOM 435 N GLN A 35 19.831 3.863 -1.468 1.00 0.00 N ATOM 436 CA GLN A 35 20.079 2.455 -1.183 1.00 0.00 C ATOM 437 C GLN A 35 19.061 1.569 -1.893 1.00 0.00 C ATOM 438 O GLN A 35 18.089 1.114 -1.289 1.00 0.00 O ATOM 439 CB GLN A 35 20.031 2.201 0.324 1.00 0.00 C ATOM 440 CG GLN A 35 20.835 3.203 1.136 1.00 0.00 C ATOM 441 CD GLN A 35 20.283 3.398 2.535 1.00 0.00 C ATOM 442 OE1 GLN A 35 19.146 3.835 2.710 1.00 0.00 O ATOM 443 NE2 GLN A 35 21.089 3.075 3.540 1.00 0.00 N ATOM 0 H GLN A 35 19.343 4.364 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 35 21.073 2.205 -1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.993 2.227 0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 35 20.405 1.198 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 35 21.869 2.865 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.845 4.161 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 35 22.024 2.716 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.773 3.186 4.503 1.00 0.00 H new ATOM 452 N LYS A 36 19.290 1.327 -3.180 1.00 0.00 N ATOM 453 CA LYS A 36 18.394 0.494 -3.973 1.00 0.00 C ATOM 454 C LYS A 36 17.814 -0.638 -3.131 1.00 0.00 C ATOM 455 O LYS A 36 18.471 -1.146 -2.221 1.00 0.00 O ATOM 456 CB LYS A 36 19.136 -0.083 -5.181 1.00 0.00 C ATOM 457 CG LYS A 36 18.214 -0.614 -6.264 1.00 0.00 C ATOM 458 CD LYS A 36 17.662 0.508 -7.126 1.00 0.00 C ATOM 459 CE LYS A 36 16.402 0.078 -7.863 1.00 0.00 C ATOM 460 NZ LYS A 36 16.505 -1.320 -8.368 1.00 0.00 N ATOM 0 H LYS A 36 20.089 1.696 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 36 17.573 1.119 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.776 0.690 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.789 -0.888 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.757 -1.322 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.390 -1.161 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.442 1.373 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.418 0.820 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.544 0.161 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.222 0.754 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.767 -1.487 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.441 -1.466 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.379 -1.985 -7.578 1.00 0.00 H new ATOM 474 N ILE A 37 16.583 -1.029 -3.440 1.00 0.00 N ATOM 475 CA ILE A 37 15.917 -2.103 -2.713 1.00 0.00 C ATOM 476 C ILE A 37 15.621 -3.286 -3.629 1.00 0.00 C ATOM 477 O ILE A 37 15.130 -3.112 -4.744 1.00 0.00 O ATOM 478 CB ILE A 37 14.601 -1.619 -2.076 1.00 0.00 C ATOM 479 CG1 ILE A 37 14.888 -0.603 -0.969 1.00 0.00 C ATOM 480 CG2 ILE A 37 13.813 -2.800 -1.528 1.00 0.00 C ATOM 481 CD1 ILE A 37 14.934 0.827 -1.459 1.00 0.00 C ATOM 0 H ILE A 37 16.026 -0.618 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 37 16.598 -2.420 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 37 14.000 -1.131 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 37 14.121 -0.690 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.841 -0.849 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 37 12.885 -2.442 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 37 13.582 -3.491 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 37 14.406 -3.314 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 37 15.142 1.492 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 37 15.720 0.930 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.974 1.091 -1.902 1.00 0.00 H new ATOM 493 N ILE A 38 15.922 -4.488 -3.149 1.00 0.00 N ATOM 494 CA ILE A 38 15.686 -5.700 -3.923 1.00 0.00 C ATOM 495 C ILE A 38 14.645 -6.588 -3.250 1.00 0.00 C ATOM 496 O ILE A 38 14.776 -7.812 -3.233 1.00 0.00 O ATOM 497 CB ILE A 38 16.984 -6.506 -4.118 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.559 -6.923 -2.762 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.001 -5.691 -4.902 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.626 -7.991 -2.862 1.00 0.00 C ATOM 0 H ILE A 38 16.330 -4.648 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 38 15.315 -5.384 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 38 16.753 -7.407 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.979 -6.046 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.750 -7.287 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.913 -6.274 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.590 -5.439 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.231 -4.775 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.988 -8.238 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.206 -8.883 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.454 -7.623 -3.468 1.00 0.00 H new ATOM 512 N SER A 39 13.610 -5.963 -2.697 1.00 0.00 N ATOM 513 CA SER A 39 12.547 -6.697 -2.020 1.00 0.00 C ATOM 514 C SER A 39 11.293 -5.838 -1.889 1.00 0.00 C ATOM 515 O SER A 39 11.370 -4.652 -1.565 1.00 0.00 O ATOM 516 CB SER A 39 13.014 -7.152 -0.636 1.00 0.00 C ATOM 517 OG SER A 39 13.612 -8.435 -0.697 1.00 0.00 O ATOM 0 H SER A 39 13.485 -4.951 -2.705 1.00 0.00 H new ATOM 0 HA SER A 39 12.305 -7.574 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.728 -6.433 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.166 -7.175 0.048 1.00 0.00 H new ATOM 0 HG SER A 39 14.133 -8.514 -1.523 1.00 0.00 H new ATOM 523 N TYR A 40 10.139 -6.444 -2.144 1.00 0.00 N ATOM 524 CA TYR A 40 8.868 -5.736 -2.058 1.00 0.00 C ATOM 525 C TYR A 40 7.736 -6.690 -1.688 1.00 0.00 C ATOM 526 O TYR A 40 7.560 -7.736 -2.315 1.00 0.00 O ATOM 527 CB TYR A 40 8.554 -5.045 -3.386 1.00 0.00 C ATOM 528 CG TYR A 40 9.393 -3.813 -3.641 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.071 -2.596 -3.052 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.506 -3.866 -4.470 1.00 0.00 C ATOM 531 CE1 TYR A 40 9.835 -1.467 -3.283 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.276 -2.743 -4.705 1.00 0.00 C ATOM 533 CZ TYR A 40 10.936 -1.546 -4.109 1.00 0.00 C ATOM 534 OH TYR A 40 11.699 -0.425 -4.342 1.00 0.00 O ATOM 0 H TYR A 40 10.058 -7.425 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 40 8.954 -4.982 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.708 -5.754 -4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.500 -4.766 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.210 -2.531 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.774 -4.801 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.571 -0.528 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.139 -2.802 -5.352 1.00 0.00 H new ATOM 0 HH TYR A 40 12.438 -0.652 -4.945 1.00 0.00 H new ATOM 544 N LEU A 41 6.971 -6.322 -0.667 1.00 0.00 N ATOM 545 CA LEU A 41 5.855 -7.144 -0.212 1.00 0.00 C ATOM 546 C LEU A 41 4.674 -6.274 0.207 1.00 0.00 C ATOM 547 O LEU A 41 4.836 -5.308 0.952 1.00 0.00 O ATOM 548 CB LEU A 41 6.291 -8.030 0.956 1.00 0.00 C ATOM 549 CG LEU A 41 5.232 -8.989 1.502 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.778 -9.955 0.419 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.772 -9.749 2.705 1.00 0.00 C ATOM 0 H LEU A 41 7.103 -5.460 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 41 5.540 -7.777 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.154 -8.616 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.624 -7.386 1.770 1.00 0.00 H new ATOM 0 HG LEU A 41 4.370 -8.404 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.025 -10.630 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.352 -9.395 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.632 -10.534 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.006 -10.427 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.650 -10.323 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.047 -9.043 3.488 1.00 0.00 H new ATOM 563 N TRP A 42 3.487 -6.626 -0.274 1.00 0.00 N ATOM 564 CA TRP A 42 2.278 -5.878 0.053 1.00 0.00 C ATOM 565 C TRP A 42 1.212 -6.797 0.641 1.00 0.00 C ATOM 566 O TRP A 42 0.702 -7.685 -0.041 1.00 0.00 O ATOM 567 CB TRP A 42 1.734 -5.178 -1.193 1.00 0.00 C ATOM 568 CG TRP A 42 2.481 -3.927 -1.545 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.352 -3.757 -2.583 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.425 -2.673 -0.856 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.841 -2.473 -2.582 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.287 -1.787 -1.533 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.730 -2.211 0.264 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.470 -0.469 -1.124 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.913 -0.903 0.670 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.777 -0.044 -0.023 1.00 0.00 C ATOM 0 H TRP A 42 3.336 -7.424 -0.891 1.00 0.00 H new ATOM 0 HA TRP A 42 2.536 -5.127 0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.777 -5.867 -2.036 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.684 -4.933 -1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.618 -4.520 -3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.508 -2.092 -3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.061 -2.865 0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.135 0.195 -1.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.381 -0.536 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.898 0.973 0.319 1.00 0.00 H new ATOM 587 N GLU A 43 0.881 -6.577 1.909 1.00 0.00 N ATOM 588 CA GLU A 43 -0.125 -7.386 2.587 1.00 0.00 C ATOM 589 C GLU A 43 -0.978 -6.529 3.517 1.00 0.00 C ATOM 590 O GLU A 43 -0.496 -5.558 4.102 1.00 0.00 O ATOM 591 CB GLU A 43 0.544 -8.509 3.382 1.00 0.00 C ATOM 592 CG GLU A 43 1.404 -9.429 2.532 1.00 0.00 C ATOM 593 CD GLU A 43 1.601 -10.793 3.163 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.651 -11.293 3.801 1.00 0.00 O ATOM 595 OE2 GLU A 43 2.703 -11.361 3.019 1.00 0.00 O ATOM 0 H GLU A 43 1.294 -5.846 2.487 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.774 -7.823 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.162 -8.070 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.226 -9.101 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.942 -9.550 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.376 -8.964 2.370 1.00 0.00 H new ATOM 602 N LYS A 44 -2.249 -6.893 3.648 1.00 0.00 N ATOM 603 CA LYS A 44 -3.171 -6.159 4.507 1.00 0.00 C ATOM 604 C LYS A 44 -3.110 -6.677 5.940 1.00 0.00 C ATOM 605 O LYS A 44 -3.471 -7.823 6.214 1.00 0.00 O ATOM 606 CB LYS A 44 -4.600 -6.276 3.972 1.00 0.00 C ATOM 607 CG LYS A 44 -5.631 -5.562 4.830 1.00 0.00 C ATOM 608 CD LYS A 44 -6.977 -5.479 4.130 1.00 0.00 C ATOM 609 CE LYS A 44 -7.655 -6.839 4.062 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.287 -7.209 5.359 1.00 0.00 N ATOM 0 H LYS A 44 -2.664 -7.693 3.170 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.873 -5.111 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.635 -5.868 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.867 -7.330 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.744 -6.088 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.279 -4.557 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.621 -4.776 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.840 -5.089 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.413 -6.828 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.922 -7.597 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.435 -8.238 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.665 -6.923 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.203 -6.725 5.449 1.00 0.00 H new ATOM 624 N THR A 45 -2.651 -5.827 6.853 1.00 0.00 N ATOM 625 CA THR A 45 -2.543 -6.199 8.258 1.00 0.00 C ATOM 626 C THR A 45 -3.901 -6.142 8.948 1.00 0.00 C ATOM 627 O THR A 45 -4.338 -7.117 9.559 1.00 0.00 O ATOM 628 CB THR A 45 -1.560 -5.280 9.008 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.574 -3.971 8.429 1.00 0.00 O ATOM 630 CG2 THR A 45 -0.149 -5.846 8.963 1.00 0.00 C ATOM 0 H THR A 45 -2.348 -4.876 6.644 1.00 0.00 H new ATOM 0 HA THR A 45 -2.167 -7.222 8.286 1.00 0.00 H new ATOM 0 HB THR A 45 -1.876 -5.219 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.437 -3.816 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.527 -5.180 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.137 -6.830 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.175 -5.934 7.926 1.00 0.00 H new ATOM 638 N GLN A 46 -4.565 -4.995 8.846 1.00 0.00 N ATOM 639 CA GLN A 46 -5.874 -4.812 9.461 1.00 0.00 C ATOM 640 C GLN A 46 -6.941 -4.552 8.402 1.00 0.00 C ATOM 641 O GLN A 46 -6.642 -4.472 7.212 1.00 0.00 O ATOM 642 CB GLN A 46 -5.835 -3.653 10.458 1.00 0.00 C ATOM 643 CG GLN A 46 -5.467 -4.078 11.871 1.00 0.00 C ATOM 644 CD GLN A 46 -5.082 -2.906 12.751 1.00 0.00 C ATOM 645 OE1 GLN A 46 -3.942 -2.442 12.724 1.00 0.00 O ATOM 646 NE2 GLN A 46 -6.033 -2.420 13.540 1.00 0.00 N ATOM 0 H GLN A 46 -4.218 -4.178 8.343 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.130 -5.729 9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.116 -2.911 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.811 -3.167 10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.310 -4.603 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.638 -4.784 11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.965 -2.835 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.832 -1.632 14.155 1.00 0.00 H new ATOM 655 N GLY A 47 -8.188 -4.421 8.846 1.00 0.00 N ATOM 656 CA GLY A 47 -9.280 -4.172 7.924 1.00 0.00 C ATOM 657 C GLY A 47 -10.025 -5.438 7.552 1.00 0.00 C ATOM 658 O GLY A 47 -9.588 -6.551 7.846 1.00 0.00 O ATOM 0 H GLY A 47 -8.461 -4.483 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.976 -3.463 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.889 -3.705 7.020 1.00 0.00 H new ATOM 662 N PRO A 48 -11.181 -5.277 6.890 1.00 0.00 N ATOM 663 CA PRO A 48 -12.013 -6.406 6.464 1.00 0.00 C ATOM 664 C PRO A 48 -11.369 -7.211 5.341 1.00 0.00 C ATOM 665 O PRO A 48 -10.815 -6.645 4.398 1.00 0.00 O ATOM 666 CB PRO A 48 -13.298 -5.734 5.972 1.00 0.00 C ATOM 667 CG PRO A 48 -12.877 -4.362 5.571 1.00 0.00 C ATOM 668 CD PRO A 48 -11.763 -3.981 6.506 1.00 0.00 C ATOM 0 HA PRO A 48 -12.172 -7.122 7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.732 -6.276 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.054 -5.703 6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.540 -4.345 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.708 -3.661 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.029 -3.340 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.135 -3.435 7.373 1.00 0.00 H new ATOM 676 N ASP A 49 -11.445 -8.533 5.447 1.00 0.00 N ATOM 677 CA ASP A 49 -10.870 -9.415 4.439 1.00 0.00 C ATOM 678 C ASP A 49 -11.794 -9.535 3.231 1.00 0.00 C ATOM 679 O ASP A 49 -13.007 -9.362 3.345 1.00 0.00 O ATOM 680 CB ASP A 49 -10.604 -10.799 5.033 1.00 0.00 C ATOM 681 CG ASP A 49 -9.445 -11.506 4.359 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.324 -10.955 4.373 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.658 -12.611 3.818 1.00 0.00 O ATOM 0 H ASP A 49 -11.899 -9.017 6.221 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.925 -8.982 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.395 -10.700 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.502 -11.410 4.940 1.00 0.00 H new ATOM 688 N GLY A 50 -11.211 -9.832 2.073 1.00 0.00 N ATOM 689 CA GLY A 50 -11.997 -9.968 0.861 1.00 0.00 C ATOM 690 C GLY A 50 -11.373 -9.249 -0.319 1.00 0.00 C ATOM 691 O GLY A 50 -11.405 -9.746 -1.445 1.00 0.00 O ATOM 0 H GLY A 50 -10.209 -9.981 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.108 -11.025 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.998 -9.573 1.035 1.00 0.00 H new ATOM 695 N VAL A 51 -10.805 -8.076 -0.062 1.00 0.00 N ATOM 696 CA VAL A 51 -10.171 -7.286 -1.111 1.00 0.00 C ATOM 697 C VAL A 51 -9.135 -8.110 -1.868 1.00 0.00 C ATOM 698 O VAL A 51 -8.692 -9.155 -1.393 1.00 0.00 O ATOM 699 CB VAL A 51 -9.491 -6.030 -0.535 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.472 -5.230 0.307 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.265 -6.415 0.280 1.00 0.00 C ATOM 0 H VAL A 51 -10.771 -7.651 0.865 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.960 -6.979 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.165 -5.402 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.973 -4.346 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.316 -4.923 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.831 -5.846 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.797 -5.516 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.564 -7.064 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.555 -6.941 -0.358 1.00 0.00 H new ATOM 711 N GLN A 52 -8.754 -7.631 -3.048 1.00 0.00 N ATOM 712 CA GLN A 52 -7.770 -8.324 -3.871 1.00 0.00 C ATOM 713 C GLN A 52 -6.540 -7.451 -4.100 1.00 0.00 C ATOM 714 O GLN A 52 -6.656 -6.274 -4.445 1.00 0.00 O ATOM 715 CB GLN A 52 -8.385 -8.720 -5.214 1.00 0.00 C ATOM 716 CG GLN A 52 -9.033 -10.095 -5.205 1.00 0.00 C ATOM 717 CD GLN A 52 -8.050 -11.205 -5.521 1.00 0.00 C ATOM 718 OE1 GLN A 52 -7.516 -11.852 -4.619 1.00 0.00 O ATOM 719 NE2 GLN A 52 -7.806 -11.432 -6.806 1.00 0.00 N ATOM 0 H GLN A 52 -9.111 -6.767 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.461 -9.225 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.132 -7.977 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.610 -8.698 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.478 -10.276 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.844 -10.115 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.271 -10.872 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.154 -12.167 -7.079 1.00 0.00 H new ATOM 728 N LEU A 53 -5.362 -8.034 -3.905 1.00 0.00 N ATOM 729 CA LEU A 53 -4.110 -7.309 -4.089 1.00 0.00 C ATOM 730 C LEU A 53 -3.320 -7.877 -5.264 1.00 0.00 C ATOM 731 O LEU A 53 -3.055 -9.078 -5.323 1.00 0.00 O ATOM 732 CB LEU A 53 -3.267 -7.375 -2.814 1.00 0.00 C ATOM 733 CG LEU A 53 -3.466 -6.231 -1.819 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.250 -6.719 -0.395 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.525 -5.078 -2.138 1.00 0.00 C ATOM 0 H LEU A 53 -5.248 -9.007 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.350 -6.268 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.486 -8.314 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.215 -7.404 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.492 -5.872 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.396 -5.891 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.964 -7.512 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.236 -7.104 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.680 -4.273 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.493 -5.424 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.727 -4.711 -3.144 1.00 0.00 H new ATOM 747 N GLU A 54 -2.946 -7.006 -6.195 1.00 0.00 N ATOM 748 CA GLU A 54 -2.185 -7.422 -7.368 1.00 0.00 C ATOM 749 C GLU A 54 -0.765 -6.863 -7.321 1.00 0.00 C ATOM 750 O GLU A 54 -0.489 -5.902 -6.606 1.00 0.00 O ATOM 751 CB GLU A 54 -2.884 -6.960 -8.648 1.00 0.00 C ATOM 752 CG GLU A 54 -3.879 -7.969 -9.195 1.00 0.00 C ATOM 753 CD GLU A 54 -3.239 -8.964 -10.144 1.00 0.00 C ATOM 754 OE1 GLU A 54 -2.634 -9.942 -9.659 1.00 0.00 O ATOM 755 OE2 GLU A 54 -3.344 -8.764 -11.372 1.00 0.00 O ATOM 0 H GLU A 54 -3.157 -6.009 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.130 -8.511 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.402 -6.021 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.131 -6.755 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.338 -8.507 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.679 -7.440 -9.714 1.00 0.00 H new ATOM 762 N ASN A 55 0.131 -7.475 -8.089 1.00 0.00 N ATOM 763 CA ASN A 55 1.522 -7.041 -8.135 1.00 0.00 C ATOM 764 C ASN A 55 2.056 -6.776 -6.731 1.00 0.00 C ATOM 765 O ASN A 55 2.973 -5.976 -6.545 1.00 0.00 O ATOM 766 CB ASN A 55 1.656 -5.779 -8.990 1.00 0.00 C ATOM 767 CG ASN A 55 1.920 -6.095 -10.450 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.897 -6.764 -10.785 1.00 0.00 O ATOM 769 ND2 ASN A 55 1.047 -5.612 -11.326 1.00 0.00 N ATOM 0 H ASN A 55 -0.082 -8.273 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 55 2.111 -7.841 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.743 -5.189 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.468 -5.165 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.172 -5.791 -12.322 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.251 -5.062 -11.003 1.00 0.00 H new ATOM 776 N ALA A 56 1.476 -7.454 -5.746 1.00 0.00 N ATOM 777 CA ALA A 56 1.895 -7.294 -4.359 1.00 0.00 C ATOM 778 C ALA A 56 3.398 -7.506 -4.211 1.00 0.00 C ATOM 779 O ALA A 56 4.018 -6.992 -3.281 1.00 0.00 O ATOM 780 CB ALA A 56 1.134 -8.260 -3.463 1.00 0.00 C ATOM 0 H ALA A 56 0.715 -8.119 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 56 1.666 -6.273 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.457 -8.130 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.065 -8.060 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.334 -9.284 -3.779 1.00 0.00 H new ATOM 786 N ASN A 57 3.977 -8.266 -5.135 1.00 0.00 N ATOM 787 CA ASN A 57 5.408 -8.546 -5.107 1.00 0.00 C ATOM 788 C ASN A 57 6.183 -7.499 -5.901 1.00 0.00 C ATOM 789 O ASN A 57 7.229 -7.793 -6.480 1.00 0.00 O ATOM 790 CB ASN A 57 5.687 -9.940 -5.672 1.00 0.00 C ATOM 791 CG ASN A 57 7.148 -10.331 -5.552 1.00 0.00 C ATOM 792 OD1 ASN A 57 7.860 -10.428 -6.552 1.00 0.00 O ATOM 793 ND2 ASN A 57 7.601 -10.557 -4.324 1.00 0.00 N ATOM 0 H ASN A 57 3.478 -8.699 -5.912 1.00 0.00 H new ATOM 0 HA ASN A 57 5.740 -8.508 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.074 -10.672 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.391 -9.970 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.575 -10.823 -4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.975 -10.465 -3.524 1.00 0.00 H new ATOM 800 N SER A 58 5.664 -6.276 -5.922 1.00 0.00 N ATOM 801 CA SER A 58 6.305 -5.185 -6.647 1.00 0.00 C ATOM 802 C SER A 58 6.291 -3.902 -5.821 1.00 0.00 C ATOM 803 O SER A 58 5.624 -3.821 -4.790 1.00 0.00 O ATOM 804 CB SER A 58 5.601 -4.951 -7.985 1.00 0.00 C ATOM 805 OG SER A 58 6.022 -5.895 -8.954 1.00 0.00 O ATOM 0 H SER A 58 4.801 -6.015 -5.445 1.00 0.00 H new ATOM 0 HA SER A 58 7.342 -5.465 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.522 -5.021 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.813 -3.942 -8.339 1.00 0.00 H new ATOM 0 HG SER A 58 5.557 -5.725 -9.800 1.00 0.00 H new ATOM 811 N SER A 59 7.034 -2.901 -6.283 1.00 0.00 N ATOM 812 CA SER A 59 7.112 -1.622 -5.586 1.00 0.00 C ATOM 813 C SER A 59 5.736 -0.968 -5.496 1.00 0.00 C ATOM 814 O SER A 59 5.410 -0.315 -4.505 1.00 0.00 O ATOM 815 CB SER A 59 8.088 -0.686 -6.301 1.00 0.00 C ATOM 816 OG SER A 59 7.693 -0.466 -7.644 1.00 0.00 O ATOM 0 H SER A 59 7.590 -2.951 -7.137 1.00 0.00 H new ATOM 0 HA SER A 59 7.474 -1.809 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.137 0.266 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.090 -1.115 -6.279 1.00 0.00 H new ATOM 0 HG SER A 59 8.332 0.137 -8.078 1.00 0.00 H new ATOM 822 N VAL A 60 4.933 -1.149 -6.540 1.00 0.00 N ATOM 823 CA VAL A 60 3.592 -0.578 -6.580 1.00 0.00 C ATOM 824 C VAL A 60 2.530 -1.672 -6.608 1.00 0.00 C ATOM 825 O VAL A 60 2.528 -2.527 -7.493 1.00 0.00 O ATOM 826 CB VAL A 60 3.406 0.334 -7.807 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.047 1.014 -7.766 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.525 1.363 -7.879 1.00 0.00 C ATOM 0 H VAL A 60 5.188 -1.686 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 60 3.474 0.016 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 60 3.450 -0.281 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.934 1.654 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.262 0.258 -7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.970 1.618 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.378 1.999 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.515 1.975 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.484 0.852 -7.959 1.00 0.00 H new ATOM 838 N ALA A 61 1.627 -1.637 -5.634 1.00 0.00 N ATOM 839 CA ALA A 61 0.557 -2.624 -5.548 1.00 0.00 C ATOM 840 C ALA A 61 -0.798 -1.993 -5.852 1.00 0.00 C ATOM 841 O ALA A 61 -0.950 -0.771 -5.807 1.00 0.00 O ATOM 842 CB ALA A 61 0.543 -3.269 -4.170 1.00 0.00 C ATOM 0 H ALA A 61 1.615 -0.936 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 61 0.746 -3.394 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.261 -4.004 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.498 -3.763 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.382 -2.503 -3.411 1.00 0.00 H new ATOM 848 N THR A 62 -1.780 -2.832 -6.162 1.00 0.00 N ATOM 849 CA THR A 62 -3.122 -2.357 -6.476 1.00 0.00 C ATOM 850 C THR A 62 -4.179 -3.158 -5.724 1.00 0.00 C ATOM 851 O THR A 62 -4.243 -4.382 -5.840 1.00 0.00 O ATOM 852 CB THR A 62 -3.409 -2.440 -7.987 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.521 -1.574 -8.703 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.850 -2.057 -8.286 1.00 0.00 C ATOM 0 H THR A 62 -1.672 -3.845 -6.203 1.00 0.00 H new ATOM 0 HA THR A 62 -3.169 -1.314 -6.162 1.00 0.00 H new ATOM 0 HB THR A 62 -3.249 -3.469 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.709 -1.634 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.029 -2.123 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.523 -2.737 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.032 -1.036 -7.950 1.00 0.00 H new ATOM 862 N VAL A 63 -5.008 -2.460 -4.954 1.00 0.00 N ATOM 863 CA VAL A 63 -6.064 -3.106 -4.185 1.00 0.00 C ATOM 864 C VAL A 63 -7.427 -2.890 -4.833 1.00 0.00 C ATOM 865 O VAL A 63 -7.718 -1.810 -5.348 1.00 0.00 O ATOM 866 CB VAL A 63 -6.107 -2.580 -2.738 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.253 -3.221 -1.970 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.779 -2.834 -2.040 1.00 0.00 C ATOM 0 H VAL A 63 -4.968 -1.446 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.837 -4.172 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.278 -1.504 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.267 -2.837 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.197 -2.984 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.117 -4.302 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.827 -2.456 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.577 -3.905 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.981 -2.323 -2.579 1.00 0.00 H new ATOM 878 N THR A 64 -8.260 -3.926 -4.805 1.00 0.00 N ATOM 879 CA THR A 64 -9.593 -3.850 -5.390 1.00 0.00 C ATOM 880 C THR A 64 -10.629 -4.504 -4.483 1.00 0.00 C ATOM 881 O THR A 64 -10.291 -5.310 -3.617 1.00 0.00 O ATOM 882 CB THR A 64 -9.638 -4.526 -6.773 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.556 -5.948 -6.627 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.499 -4.035 -7.653 1.00 0.00 C ATOM 0 H THR A 64 -8.035 -4.827 -4.384 1.00 0.00 H new ATOM 0 HA THR A 64 -9.829 -2.792 -5.503 1.00 0.00 H new ATOM 0 HB THR A 64 -10.583 -4.264 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.587 -6.370 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.552 -4.527 -8.624 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.582 -2.956 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.546 -4.270 -7.179 1.00 0.00 H new ATOM 892 N GLY A 65 -11.895 -4.152 -4.689 1.00 0.00 N ATOM 893 CA GLY A 65 -12.962 -4.715 -3.882 1.00 0.00 C ATOM 894 C GLY A 65 -13.040 -4.087 -2.504 1.00 0.00 C ATOM 895 O GLY A 65 -13.444 -4.738 -1.539 1.00 0.00 O ATOM 0 H GLY A 65 -12.200 -3.487 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.913 -4.576 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.808 -5.789 -3.780 1.00 0.00 H new ATOM 899 N LEU A 66 -12.651 -2.821 -2.410 1.00 0.00 N ATOM 900 CA LEU A 66 -12.677 -2.105 -1.140 1.00 0.00 C ATOM 901 C LEU A 66 -14.091 -1.638 -0.807 1.00 0.00 C ATOM 902 O LEU A 66 -14.968 -1.621 -1.670 1.00 0.00 O ATOM 903 CB LEU A 66 -11.730 -0.904 -1.189 1.00 0.00 C ATOM 904 CG LEU A 66 -10.236 -1.229 -1.219 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.471 -0.152 -1.972 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.695 -1.381 0.195 1.00 0.00 C ATOM 0 H LEU A 66 -12.314 -2.269 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.346 -2.789 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.971 -0.313 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.927 -0.275 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.100 -2.175 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.410 -0.400 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.840 -0.092 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.614 0.809 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.631 -1.612 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.844 -0.451 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.223 -2.189 0.702 1.00 0.00 H new ATOM 918 N GLN A 67 -14.303 -1.259 0.450 1.00 0.00 N ATOM 919 CA GLN A 67 -15.609 -0.791 0.895 1.00 0.00 C ATOM 920 C GLN A 67 -15.477 0.109 2.119 1.00 0.00 C ATOM 921 O GLN A 67 -14.531 -0.018 2.897 1.00 0.00 O ATOM 922 CB GLN A 67 -16.518 -1.979 1.218 1.00 0.00 C ATOM 923 CG GLN A 67 -16.737 -2.914 0.039 1.00 0.00 C ATOM 924 CD GLN A 67 -17.917 -3.844 0.244 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.900 -3.485 0.892 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.825 -5.048 -0.309 1.00 0.00 N ATOM 0 H GLN A 67 -13.587 -1.267 1.177 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.053 -0.211 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.085 -2.544 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.483 -1.605 1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.897 -2.324 -0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.836 -3.506 -0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.991 -5.304 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.588 -5.717 -0.205 1.00 0.00 H new ATOM 935 N VAL A 68 -16.431 1.020 2.284 1.00 0.00 N ATOM 936 CA VAL A 68 -16.421 1.941 3.414 1.00 0.00 C ATOM 937 C VAL A 68 -15.885 1.265 4.671 1.00 0.00 C ATOM 938 O VAL A 68 -16.627 0.608 5.400 1.00 0.00 O ATOM 939 CB VAL A 68 -17.831 2.491 3.703 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.816 3.375 4.940 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.361 3.255 2.498 1.00 0.00 C ATOM 0 H VAL A 68 -17.220 1.140 1.649 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.765 2.767 3.141 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.498 1.651 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.820 3.754 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.481 2.793 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.136 4.212 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.358 3.637 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.695 4.088 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.410 2.588 1.637 1.00 0.00 H new ATOM 951 N GLY A 69 -14.589 1.430 4.918 1.00 0.00 N ATOM 952 CA GLY A 69 -13.974 0.829 6.088 1.00 0.00 C ATOM 953 C GLY A 69 -12.523 1.233 6.252 1.00 0.00 C ATOM 954 O GLY A 69 -12.036 2.126 5.558 1.00 0.00 O ATOM 0 H GLY A 69 -13.954 1.969 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.532 1.120 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.039 -0.256 6.012 1.00 0.00 H new ATOM 958 N THR A 70 -11.828 0.575 7.175 1.00 0.00 N ATOM 959 CA THR A 70 -10.424 0.872 7.431 1.00 0.00 C ATOM 960 C THR A 70 -9.526 -0.264 6.955 1.00 0.00 C ATOM 961 O THR A 70 -9.724 -1.421 7.326 1.00 0.00 O ATOM 962 CB THR A 70 -10.167 1.122 8.929 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.337 1.674 9.542 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.991 2.067 9.126 1.00 0.00 C ATOM 0 H THR A 70 -12.215 -0.167 7.758 1.00 0.00 H new ATOM 0 HA THR A 70 -10.186 1.778 6.873 1.00 0.00 H new ATOM 0 HB THR A 70 -9.928 0.167 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.165 1.828 10.494 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.829 2.229 10.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.095 1.630 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.205 3.020 8.643 1.00 0.00 H new ATOM 972 N TYR A 71 -8.539 0.074 6.133 1.00 0.00 N ATOM 973 CA TYR A 71 -7.611 -0.919 5.605 1.00 0.00 C ATOM 974 C TYR A 71 -6.166 -0.514 5.878 1.00 0.00 C ATOM 975 O TYR A 71 -5.721 0.558 5.467 1.00 0.00 O ATOM 976 CB TYR A 71 -7.826 -1.100 4.101 1.00 0.00 C ATOM 977 CG TYR A 71 -9.212 -1.586 3.742 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.297 -0.718 3.751 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.438 -2.912 3.395 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.566 -1.157 3.425 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.702 -3.360 3.066 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.763 -2.478 3.082 1.00 0.00 C ATOM 983 OH TYR A 71 -13.025 -2.920 2.756 1.00 0.00 O ATOM 0 H TYR A 71 -8.361 1.028 5.818 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.806 -1.865 6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.642 -0.150 3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.091 -1.809 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.146 0.318 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.610 -3.605 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.399 -0.469 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.859 -4.394 2.798 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.962 -3.793 2.315 1.00 0.00 H new ATOM 993 N VAL A 72 -5.436 -1.380 6.574 1.00 0.00 N ATOM 994 CA VAL A 72 -4.041 -1.115 6.902 1.00 0.00 C ATOM 995 C VAL A 72 -3.110 -2.057 6.146 1.00 0.00 C ATOM 996 O VAL A 72 -3.077 -3.259 6.411 1.00 0.00 O ATOM 997 CB VAL A 72 -3.782 -1.258 8.413 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.395 -0.745 8.768 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.851 -0.525 9.208 1.00 0.00 C ATOM 0 H VAL A 72 -5.788 -2.272 6.922 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.835 -0.087 6.602 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.829 -2.315 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.230 -0.854 9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.645 -1.320 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.315 0.307 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.652 -0.637 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.839 0.533 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.830 -0.945 8.975 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.355 -1.503 5.203 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.423 -2.294 4.408 1.00 0.00 C ATOM 1011 C PHE A 73 0.021 -1.986 4.795 1.00 0.00 C ATOM 1012 O PHE A 73 0.461 -0.837 4.734 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.632 -2.021 2.917 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.043 -2.254 2.457 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.987 -1.243 2.532 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.425 -3.486 1.949 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -5.286 -1.456 2.110 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.722 -3.704 1.525 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.654 -2.688 1.605 1.00 0.00 C ATOM 0 H PHE A 73 -2.370 -0.510 4.971 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.617 -3.348 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.354 -0.989 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.961 -2.658 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.705 -0.277 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.701 -4.284 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.013 -0.660 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.007 -4.669 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.668 -2.856 1.274 1.00 0.00 H new ATOM 1029 N THR A 74 0.754 -3.020 5.195 1.00 0.00 N ATOM 1030 CA THR A 74 2.146 -2.862 5.594 1.00 0.00 C ATOM 1031 C THR A 74 3.090 -3.249 4.462 1.00 0.00 C ATOM 1032 O THR A 74 2.925 -4.295 3.832 1.00 0.00 O ATOM 1033 CB THR A 74 2.475 -3.712 6.835 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.743 -3.231 7.968 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.966 -3.676 7.137 1.00 0.00 C ATOM 0 H THR A 74 0.406 -3.977 5.251 1.00 0.00 H new ATOM 0 HA THR A 74 2.287 -1.809 5.837 1.00 0.00 H new ATOM 0 HB THR A 74 2.187 -4.742 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.072 -3.669 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.174 -4.284 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.519 -4.071 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.274 -2.648 7.325 1.00 0.00 H new ATOM 1043 N LEU A 75 4.080 -2.400 4.207 1.00 0.00 N ATOM 1044 CA LEU A 75 5.053 -2.655 3.150 1.00 0.00 C ATOM 1045 C LEU A 75 6.400 -3.065 3.736 1.00 0.00 C ATOM 1046 O LEU A 75 7.158 -2.227 4.226 1.00 0.00 O ATOM 1047 CB LEU A 75 5.222 -1.411 2.275 1.00 0.00 C ATOM 1048 CG LEU A 75 6.450 -1.392 1.365 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.271 -2.363 0.208 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.709 0.015 0.847 1.00 0.00 C ATOM 0 H LEU A 75 4.230 -1.530 4.717 1.00 0.00 H new ATOM 0 HA LEU A 75 4.680 -3.476 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.333 -1.305 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.263 -0.537 2.925 1.00 0.00 H new ATOM 0 HG LEU A 75 7.315 -1.708 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.155 -2.336 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.135 -3.372 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.395 -2.078 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.587 0.009 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.844 0.359 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.882 0.686 1.688 1.00 0.00 H new ATOM 1062 N THR A 76 6.694 -4.360 3.680 1.00 0.00 N ATOM 1063 CA THR A 76 7.950 -4.882 4.204 1.00 0.00 C ATOM 1064 C THR A 76 8.975 -5.067 3.092 1.00 0.00 C ATOM 1065 O THR A 76 8.871 -5.990 2.284 1.00 0.00 O ATOM 1066 CB THR A 76 7.742 -6.228 4.924 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.788 -6.076 5.981 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.055 -6.747 5.490 1.00 0.00 C ATOM 0 H THR A 76 6.079 -5.067 3.277 1.00 0.00 H new ATOM 0 HA THR A 76 8.323 -4.149 4.920 1.00 0.00 H new ATOM 0 HB THR A 76 7.367 -6.949 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.660 -6.936 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.883 -7.698 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.770 -6.889 4.679 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.454 -6.026 6.203 1.00 0.00 H new ATOM 1076 N VAL A 77 9.968 -4.183 3.055 1.00 0.00 N ATOM 1077 CA VAL A 77 11.014 -4.250 2.042 1.00 0.00 C ATOM 1078 C VAL A 77 12.378 -4.499 2.676 1.00 0.00 C ATOM 1079 O VAL A 77 12.564 -4.296 3.877 1.00 0.00 O ATOM 1080 CB VAL A 77 11.075 -2.954 1.212 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.682 -2.540 0.764 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.740 -1.842 2.010 1.00 0.00 C ATOM 0 H VAL A 77 10.069 -3.412 3.715 1.00 0.00 H new ATOM 0 HA VAL A 77 10.765 -5.083 1.384 1.00 0.00 H new ATOM 0 HB VAL A 77 11.676 -3.141 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.746 -1.622 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.246 -3.330 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.054 -2.370 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.775 -0.934 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.168 -1.654 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.754 -2.141 2.275 1.00 0.00 H new ATOM 1092 N LYS A 78 13.331 -4.941 1.863 1.00 0.00 N ATOM 1093 CA LYS A 78 14.680 -5.217 2.342 1.00 0.00 C ATOM 1094 C LYS A 78 15.720 -4.526 1.467 1.00 0.00 C ATOM 1095 O LYS A 78 15.479 -4.265 0.288 1.00 0.00 O ATOM 1096 CB LYS A 78 14.936 -6.726 2.364 1.00 0.00 C ATOM 1097 CG LYS A 78 14.559 -7.388 3.677 1.00 0.00 C ATOM 1098 CD LYS A 78 14.811 -8.886 3.639 1.00 0.00 C ATOM 1099 CE LYS A 78 13.599 -9.643 3.117 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.764 -11.116 3.253 1.00 0.00 N ATOM 0 H LYS A 78 13.194 -5.116 0.868 1.00 0.00 H new ATOM 0 HA LYS A 78 14.767 -4.825 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.373 -7.193 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.992 -6.910 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.134 -6.942 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.507 -7.200 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.672 -9.095 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.059 -9.240 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.710 -9.325 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.437 -9.391 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.917 -11.596 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.597 -11.423 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.893 -11.360 4.256 1.00 0.00 H new ATOM 1114 N ASP A 79 16.877 -4.234 2.051 1.00 0.00 N ATOM 1115 CA ASP A 79 17.956 -3.575 1.323 1.00 0.00 C ATOM 1116 C ASP A 79 19.087 -4.554 1.024 1.00 0.00 C ATOM 1117 O ASP A 79 18.978 -5.747 1.306 1.00 0.00 O ATOM 1118 CB ASP A 79 18.491 -2.388 2.125 1.00 0.00 C ATOM 1119 CG ASP A 79 19.134 -1.336 1.243 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.447 -0.824 0.334 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.323 -1.024 1.461 1.00 0.00 O ATOM 0 H ASP A 79 17.092 -4.443 3.026 1.00 0.00 H new ATOM 0 HA ASP A 79 17.554 -3.212 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.674 -1.936 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.221 -2.744 2.852 1.00 0.00 H new ATOM 1126 N GLU A 80 20.171 -4.041 0.451 1.00 0.00 N ATOM 1127 CA GLU A 80 21.321 -4.872 0.113 1.00 0.00 C ATOM 1128 C GLU A 80 21.929 -5.495 1.365 1.00 0.00 C ATOM 1129 O GLU A 80 22.416 -6.626 1.336 1.00 0.00 O ATOM 1130 CB GLU A 80 22.377 -4.045 -0.623 1.00 0.00 C ATOM 1131 CG GLU A 80 22.908 -2.875 0.189 1.00 0.00 C ATOM 1132 CD GLU A 80 24.330 -2.504 -0.185 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.518 -1.866 -1.242 1.00 0.00 O ATOM 1134 OE2 GLU A 80 25.254 -2.850 0.580 1.00 0.00 O ATOM 0 H GLU A 80 20.277 -3.055 0.211 1.00 0.00 H new ATOM 0 HA GLU A 80 20.978 -5.674 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 80 23.209 -4.694 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.949 -3.667 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.260 -2.011 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.868 -3.125 1.249 1.00 0.00 H new ATOM 1141 N ARG A 81 21.899 -4.749 2.465 1.00 0.00 N ATOM 1142 CA ARG A 81 22.448 -5.227 3.728 1.00 0.00 C ATOM 1143 C ARG A 81 21.433 -6.089 4.471 1.00 0.00 C ATOM 1144 O ARG A 81 21.593 -6.371 5.658 1.00 0.00 O ATOM 1145 CB ARG A 81 22.869 -4.046 4.604 1.00 0.00 C ATOM 1146 CG ARG A 81 24.223 -3.463 4.232 1.00 0.00 C ATOM 1147 CD ARG A 81 24.776 -2.585 5.343 1.00 0.00 C ATOM 1148 NE ARG A 81 23.969 -1.386 5.547 1.00 0.00 N ATOM 1149 CZ ARG A 81 24.074 -0.293 4.799 1.00 0.00 C ATOM 1150 NH1 ARG A 81 24.947 -0.250 3.802 1.00 0.00 N ATOM 1151 NH2 ARG A 81 23.303 0.758 5.046 1.00 0.00 N ATOM 0 H ARG A 81 21.500 -3.811 2.507 1.00 0.00 H new ATOM 0 HA ARG A 81 23.324 -5.837 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.114 -3.263 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.895 -4.368 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.923 -4.272 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.129 -2.878 3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.816 -3.157 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 81 25.799 -2.296 5.102 1.00 0.00 H new ATOM 0 HE ARG A 81 23.287 -1.387 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.540 -1.057 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 81 25.026 0.590 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.629 0.727 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 81 23.384 1.597 4.471 1.00 0.00 H new ATOM 1165 N ASN A 82 20.386 -6.505 3.765 1.00 0.00 N ATOM 1166 CA ASN A 82 19.344 -7.334 4.358 1.00 0.00 C ATOM 1167 C ASN A 82 18.611 -6.579 5.462 1.00 0.00 C ATOM 1168 O ASN A 82 18.080 -7.182 6.395 1.00 0.00 O ATOM 1169 CB ASN A 82 19.946 -8.623 4.920 1.00 0.00 C ATOM 1170 CG ASN A 82 20.906 -9.284 3.948 1.00 0.00 C ATOM 1171 OD1 ASN A 82 20.615 -9.407 2.758 1.00 0.00 O ATOM 1172 ND2 ASN A 82 22.056 -9.714 4.454 1.00 0.00 N ATOM 0 H ASN A 82 20.237 -6.281 2.781 1.00 0.00 H new ATOM 0 HA ASN A 82 18.627 -7.586 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.470 -8.401 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.144 -9.319 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 82 22.741 -10.168 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 82 22.254 -9.590 5.447 1.00 0.00 H new ATOM 1179 N LEU A 83 18.585 -5.255 5.349 1.00 0.00 N ATOM 1180 CA LEU A 83 17.916 -4.416 6.338 1.00 0.00 C ATOM 1181 C LEU A 83 16.404 -4.612 6.284 1.00 0.00 C ATOM 1182 O LEU A 83 15.778 -4.395 5.248 1.00 0.00 O ATOM 1183 CB LEU A 83 18.260 -2.944 6.103 1.00 0.00 C ATOM 1184 CG LEU A 83 19.574 -2.456 6.714 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.121 -1.274 5.930 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.376 -2.083 8.176 1.00 0.00 C ATOM 0 H LEU A 83 19.019 -4.740 4.583 1.00 0.00 H new ATOM 0 HA LEU A 83 18.267 -4.711 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.294 -2.767 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.449 -2.334 6.501 1.00 0.00 H new ATOM 0 HG LEU A 83 20.300 -3.267 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.056 -0.941 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.301 -1.574 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.398 -0.458 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.321 -1.738 8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.634 -1.288 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.031 -2.956 8.731 1.00 0.00 H new ATOM 1198 N GLN A 84 15.826 -5.021 7.409 1.00 0.00 N ATOM 1199 CA GLN A 84 14.387 -5.244 7.490 1.00 0.00 C ATOM 1200 C GLN A 84 13.673 -4.003 8.016 1.00 0.00 C ATOM 1201 O GLN A 84 13.941 -3.544 9.126 1.00 0.00 O ATOM 1202 CB GLN A 84 14.085 -6.441 8.392 1.00 0.00 C ATOM 1203 CG GLN A 84 12.715 -7.055 8.151 1.00 0.00 C ATOM 1204 CD GLN A 84 12.146 -7.718 9.390 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.620 -7.490 10.503 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.123 -8.544 9.203 1.00 0.00 N ATOM 0 H GLN A 84 16.331 -5.204 8.276 1.00 0.00 H new ATOM 0 HA GLN A 84 14.020 -5.454 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.848 -7.204 8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.155 -6.127 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.028 -6.280 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.787 -7.791 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.762 -8.704 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.698 -9.019 10.000 1.00 0.00 H new ATOM 1215 N SER A 85 12.763 -3.464 7.211 1.00 0.00 N ATOM 1216 CA SER A 85 12.012 -2.274 7.593 1.00 0.00 C ATOM 1217 C SER A 85 10.514 -2.561 7.622 1.00 0.00 C ATOM 1218 O SER A 85 10.084 -3.688 7.378 1.00 0.00 O ATOM 1219 CB SER A 85 12.304 -1.127 6.623 1.00 0.00 C ATOM 1220 OG SER A 85 11.954 -1.481 5.296 1.00 0.00 O ATOM 0 H SER A 85 12.528 -3.833 6.290 1.00 0.00 H new ATOM 0 HA SER A 85 12.327 -1.983 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.747 -0.240 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.362 -0.869 6.667 1.00 0.00 H new ATOM 0 HG SER A 85 12.423 -0.895 4.666 1.00 0.00 H new ATOM 1226 N GLN A 86 9.727 -1.534 7.924 1.00 0.00 N ATOM 1227 CA GLN A 86 8.277 -1.677 7.986 1.00 0.00 C ATOM 1228 C GLN A 86 7.592 -0.318 7.887 1.00 0.00 C ATOM 1229 O GLN A 86 8.064 0.669 8.451 1.00 0.00 O ATOM 1230 CB GLN A 86 7.867 -2.374 9.284 1.00 0.00 C ATOM 1231 CG GLN A 86 6.550 -3.127 9.181 1.00 0.00 C ATOM 1232 CD GLN A 86 6.065 -3.640 10.522 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.376 -2.933 11.258 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.421 -4.877 10.847 1.00 0.00 N ATOM 0 H GLN A 86 10.068 -0.595 8.129 1.00 0.00 H new ATOM 0 HA GLN A 86 7.961 -2.286 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.652 -3.071 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.790 -1.630 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.793 -2.470 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.669 -3.967 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.993 -5.428 10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.123 -5.276 11.737 1.00 0.00 H new ATOM 1243 N SER A 87 6.476 -0.274 7.166 1.00 0.00 N ATOM 1244 CA SER A 87 5.727 0.965 6.990 1.00 0.00 C ATOM 1245 C SER A 87 4.280 0.675 6.603 1.00 0.00 C ATOM 1246 O SER A 87 4.008 0.151 5.522 1.00 0.00 O ATOM 1247 CB SER A 87 6.389 1.837 5.921 1.00 0.00 C ATOM 1248 OG SER A 87 6.510 1.137 4.695 1.00 0.00 O ATOM 0 H SER A 87 6.070 -1.082 6.694 1.00 0.00 H new ATOM 0 HA SER A 87 5.730 1.501 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.801 2.742 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.375 2.151 6.263 1.00 0.00 H new ATOM 0 HG SER A 87 5.743 0.538 4.583 1.00 0.00 H new ATOM 1254 N SER A 88 3.356 1.021 7.493 1.00 0.00 N ATOM 1255 CA SER A 88 1.936 0.795 7.247 1.00 0.00 C ATOM 1256 C SER A 88 1.259 2.073 6.762 1.00 0.00 C ATOM 1257 O SER A 88 1.670 3.179 7.114 1.00 0.00 O ATOM 1258 CB SER A 88 1.251 0.292 8.519 1.00 0.00 C ATOM 1259 OG SER A 88 1.538 1.135 9.621 1.00 0.00 O ATOM 0 H SER A 88 3.564 1.459 8.390 1.00 0.00 H new ATOM 0 HA SER A 88 1.843 0.038 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.173 0.248 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.583 -0.723 8.737 1.00 0.00 H new ATOM 0 HG SER A 88 1.087 0.793 10.421 1.00 0.00 H new ATOM 1265 N VAL A 89 0.217 1.913 5.952 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.519 3.052 5.419 1.00 0.00 C ATOM 1267 C VAL A 89 -2.006 2.945 5.740 1.00 0.00 C ATOM 1268 O VAL A 89 -2.628 1.909 5.510 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.342 3.171 3.894 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.787 1.891 3.203 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.113 4.369 3.360 1.00 0.00 C ATOM 0 H VAL A 89 -0.136 1.005 5.651 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.111 3.943 5.895 1.00 0.00 H new ATOM 0 HB VAL A 89 0.716 3.323 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.655 1.994 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.188 1.055 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.838 1.705 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.977 4.438 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.173 4.249 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.743 5.279 3.831 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.569 4.024 6.274 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.984 4.052 6.628 1.00 0.00 C ATOM 1283 C ASN A 90 -4.842 4.385 5.411 1.00 0.00 C ATOM 1284 O ASN A 90 -4.767 5.486 4.867 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.234 5.075 7.738 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.639 4.646 9.065 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -2.696 5.260 9.563 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.189 3.585 9.644 1.00 0.00 N ATOM 0 H ASN A 90 -2.068 4.890 6.471 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.263 3.061 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.809 6.035 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.307 5.224 7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.831 3.249 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.970 3.106 9.195 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.659 3.424 4.989 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.533 3.615 3.838 1.00 0.00 C ATOM 1297 C VAL A 91 -7.993 3.715 4.268 1.00 0.00 C ATOM 1298 O VAL A 91 -8.633 2.706 4.565 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.385 2.465 2.824 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.391 2.618 1.693 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.965 2.412 2.283 1.00 0.00 C ATOM 0 H VAL A 91 -5.733 2.506 5.427 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.232 4.549 3.363 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.590 1.524 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.272 1.797 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.402 2.602 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.221 3.565 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.878 1.594 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.729 3.354 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.268 2.251 3.105 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.513 4.937 4.297 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.898 5.169 4.688 1.00 0.00 C ATOM 1313 C ILE A 92 -10.798 5.311 3.465 1.00 0.00 C ATOM 1314 O ILE A 92 -10.585 6.184 2.623 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.033 6.430 5.561 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.293 6.241 6.886 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.500 6.749 5.808 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.787 7.535 7.486 1.00 0.00 C ATOM 0 H ILE A 92 -7.996 5.782 4.054 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.212 4.301 5.268 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.583 7.270 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.959 5.756 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.450 5.568 6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.579 7.643 6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.000 6.922 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.973 5.911 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.273 7.325 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.095 8.012 6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.628 8.202 7.675 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.806 4.449 3.375 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.741 4.480 2.257 1.00 0.00 C ATOM 1332 C VAL A 93 -14.070 5.104 2.670 1.00 0.00 C ATOM 1333 O VAL A 93 -14.711 4.654 3.619 1.00 0.00 O ATOM 1334 CB VAL A 93 -12.999 3.067 1.702 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.074 3.104 0.626 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.712 2.464 1.161 1.00 0.00 C ATOM 0 H VAL A 93 -11.996 3.721 4.063 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.284 5.090 1.478 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.355 2.435 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.243 2.097 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.000 3.492 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.750 3.750 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.913 1.465 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.324 3.093 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.975 2.400 1.962 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.479 6.142 1.949 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.733 6.828 2.237 1.00 0.00 C ATOM 1348 C LYS A 94 -16.716 6.673 1.082 1.00 0.00 C ATOM 1349 O LYS A 94 -16.313 6.491 -0.067 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.476 8.312 2.507 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.720 8.574 3.798 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.022 9.924 3.771 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.766 10.447 5.176 1.00 0.00 C ATOM 1354 NZ LYS A 94 -14.934 11.200 5.710 1.00 0.00 N ATOM 0 H LYS A 94 -13.960 6.527 1.160 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.171 6.374 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.912 8.732 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.431 8.837 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.412 8.538 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.984 7.786 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.076 9.835 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.633 10.640 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.539 9.612 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.889 11.095 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.719 11.539 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.135 12.012 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.765 10.575 5.742 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.006 6.747 1.394 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.046 6.615 0.380 1.00 0.00 C ATOM 1370 C GLU A 95 -19.247 7.930 -0.367 1.00 0.00 C ATOM 1371 O GLU A 95 -18.907 9.000 0.137 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.363 6.174 1.022 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.967 7.216 1.949 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.335 6.814 2.466 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.396 6.071 3.467 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -23.344 7.243 1.867 1.00 0.00 O ATOM 0 H GLU A 95 -18.356 6.898 2.340 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.727 5.856 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.080 5.940 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.194 5.255 1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.297 7.378 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.047 8.165 1.419 1.00 0.00 H new ATOM 1383 N GLU A 96 -19.801 7.841 -1.572 1.00 0.00 N ATOM 1384 CA GLU A 96 -20.047 9.024 -2.389 1.00 0.00 C ATOM 1385 C GLU A 96 -21.020 9.972 -1.695 1.00 0.00 C ATOM 1386 O GLU A 96 -21.867 9.544 -0.910 1.00 0.00 O ATOM 1387 CB GLU A 96 -20.599 8.620 -3.758 1.00 0.00 C ATOM 1388 CG GLU A 96 -21.009 9.801 -4.621 1.00 0.00 C ATOM 1389 CD GLU A 96 -21.599 9.374 -5.951 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -21.113 8.376 -6.523 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -22.546 10.039 -6.420 1.00 0.00 O ATOM 0 H GLU A 96 -20.088 6.963 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.098 9.543 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -19.844 8.038 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -21.461 7.969 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.738 10.405 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -20.140 10.435 -4.800 1.00 0.00 H new ATOM 1398 N SER A 97 -20.893 11.262 -1.990 1.00 0.00 N ATOM 1399 CA SER A 97 -21.758 12.272 -1.392 1.00 0.00 C ATOM 1400 C SER A 97 -22.926 12.603 -2.316 1.00 0.00 C ATOM 1401 O SER A 97 -22.866 13.554 -3.094 1.00 0.00 O ATOM 1402 CB SER A 97 -20.960 13.540 -1.085 1.00 0.00 C ATOM 1403 OG SER A 97 -21.593 14.310 -0.078 1.00 0.00 O ATOM 0 H SER A 97 -20.199 11.632 -2.640 1.00 0.00 H new ATOM 0 HA SER A 97 -22.157 11.869 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.954 13.271 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 97 -20.856 14.136 -1.991 1.00 0.00 H new ATOM 0 HG SER A 97 -21.062 15.114 0.101 1.00 0.00 H new ATOM 1409 N GLY A 98 -23.989 11.810 -2.224 1.00 0.00 N ATOM 1410 CA GLY A 98 -25.156 12.034 -3.057 1.00 0.00 C ATOM 1411 C GLY A 98 -26.428 12.181 -2.245 1.00 0.00 C ATOM 1412 O GLY A 98 -26.596 11.558 -1.197 1.00 0.00 O ATOM 0 H GLY A 98 -24.063 11.016 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -25.005 12.932 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -25.267 11.203 -3.753 1.00 0.00 H new ATOM 1416 N PRO A 99 -27.350 13.024 -2.732 1.00 0.00 N ATOM 1417 CA PRO A 99 -28.629 13.272 -2.059 1.00 0.00 C ATOM 1418 C PRO A 99 -29.559 12.065 -2.119 1.00 0.00 C ATOM 1419 O PRO A 99 -29.264 11.075 -2.788 1.00 0.00 O ATOM 1420 CB PRO A 99 -29.222 14.443 -2.845 1.00 0.00 C ATOM 1421 CG PRO A 99 -28.600 14.347 -4.195 1.00 0.00 C ATOM 1422 CD PRO A 99 -27.217 13.800 -3.976 1.00 0.00 C ATOM 0 HA PRO A 99 -28.498 13.477 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -30.308 14.371 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -28.991 15.396 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -29.180 13.693 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -28.561 15.324 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -26.896 13.173 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -26.481 14.597 -3.875 1.00 0.00 H new ATOM 1430 N SER A 100 -30.683 12.154 -1.415 1.00 0.00 N ATOM 1431 CA SER A 100 -31.655 11.067 -1.386 1.00 0.00 C ATOM 1432 C SER A 100 -32.903 11.433 -2.183 1.00 0.00 C ATOM 1433 O SER A 100 -33.238 10.778 -3.169 1.00 0.00 O ATOM 1434 CB SER A 100 -32.037 10.735 0.058 1.00 0.00 C ATOM 1435 OG SER A 100 -31.049 9.928 0.674 1.00 0.00 O ATOM 0 H SER A 100 -30.943 12.967 -0.857 1.00 0.00 H new ATOM 0 HA SER A 100 -31.197 10.190 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 100 -32.163 11.657 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 100 -32.996 10.217 0.074 1.00 0.00 H new ATOM 0 HG SER A 100 -31.316 9.731 1.596 1.00 0.00 H new ATOM 1441 N SER A 101 -33.589 12.486 -1.747 1.00 0.00 N ATOM 1442 CA SER A 101 -34.802 12.938 -2.417 1.00 0.00 C ATOM 1443 C SER A 101 -34.479 13.983 -3.481 1.00 0.00 C ATOM 1444 O SER A 101 -35.268 14.219 -4.395 1.00 0.00 O ATOM 1445 CB SER A 101 -35.786 13.518 -1.398 1.00 0.00 C ATOM 1446 OG SER A 101 -35.154 14.479 -0.569 1.00 0.00 O ATOM 0 H SER A 101 -33.325 13.041 -0.933 1.00 0.00 H new ATOM 0 HA SER A 101 -35.260 12.078 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.625 13.978 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.194 12.715 -0.784 1.00 0.00 H new ATOM 0 HG SER A 101 -35.804 14.836 0.072 1.00 0.00 H new ATOM 1452 N GLY A 102 -33.311 14.606 -3.354 1.00 0.00 N ATOM 1453 CA GLY A 102 -32.903 15.618 -4.310 1.00 0.00 C ATOM 1454 C GLY A 102 -33.756 16.869 -4.230 1.00 0.00 C ATOM 1455 O GLY A 102 -34.853 16.916 -4.786 1.00 0.00 O ATOM 0 H GLY A 102 -32.641 14.428 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -31.860 15.881 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -32.961 15.206 -5.318 1.00 0.00 H new TER 1459 GLY A 102