USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 661 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 SER OG : rot 60:sc= -0.0699 USER MOD Set 2.1: A 14 SER OG : rot 161:sc= 0.0888 USER MOD Set 2.2: A 109 ASN : amide:sc= 0.0825 K(o=0.17,f=-0.69) USER MOD Set 3.1: A 18 SER OG : rot 77:sc= 0.202 USER MOD Set 3.2: A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 19:sc= 0.271 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 SER OG : rot 85:sc= 0.0628 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 75:sc= 0.377 USER MOD Single : A 36 SER OG : rot 82:sc=0.000435 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 47:sc= 0.295 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 33:sc= 1.12 USER MOD Single : A 79 ASN : amide:sc=-0.000295 X(o=-0.0003,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -6:sc= 0.407 USER MOD Single : A 92 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 96 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 99 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.002) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0463 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 22:sc= 0.0282 USER MOD Single : A 117 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 4 10.172 -9.945 -6.505 1.00 0.00 N ATOM 32 CA SER A 4 9.382 -8.706 -6.427 1.00 0.00 C ATOM 33 C SER A 4 8.085 -8.793 -7.237 1.00 0.00 C ATOM 34 O SER A 4 7.035 -8.362 -6.767 1.00 0.00 O ATOM 35 CB SER A 4 10.198 -7.512 -6.944 1.00 0.00 C ATOM 36 OG SER A 4 11.523 -7.545 -6.439 1.00 0.00 O ATOM 0 HA SER A 4 9.129 -8.567 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.220 -7.526 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.715 -6.581 -6.647 1.00 0.00 H new ATOM 0 HG SER A 4 11.730 -8.449 -6.123 1.00 0.00 H new ATOM 41 N SER A 5 8.129 -9.400 -8.432 1.00 0.00 N ATOM 42 CA SER A 5 6.937 -9.661 -9.258 1.00 0.00 C ATOM 43 C SER A 5 5.982 -10.653 -8.591 1.00 0.00 C ATOM 44 O SER A 5 4.768 -10.505 -8.695 1.00 0.00 O ATOM 45 CB SER A 5 7.320 -10.227 -10.632 1.00 0.00 C ATOM 46 OG SER A 5 8.297 -9.414 -11.260 1.00 0.00 O ATOM 0 H SER A 5 8.997 -9.726 -8.857 1.00 0.00 H new ATOM 0 HA SER A 5 6.439 -8.698 -9.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.704 -11.241 -10.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.434 -10.291 -11.263 1.00 0.00 H new ATOM 0 HG SER A 5 8.527 -9.795 -12.133 1.00 0.00 H new ATOM 51 N ALA A 6 6.517 -11.644 -7.872 1.00 0.00 N ATOM 52 CA ALA A 6 5.728 -12.623 -7.132 1.00 0.00 C ATOM 53 C ALA A 6 5.044 -11.987 -5.905 1.00 0.00 C ATOM 54 O ALA A 6 3.852 -12.195 -5.677 1.00 0.00 O ATOM 55 CB ALA A 6 6.653 -13.785 -6.753 1.00 0.00 C ATOM 0 H ALA A 6 7.523 -11.787 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 6 4.916 -13.000 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.088 -14.534 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.060 -14.236 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.469 -13.413 -6.134 1.00 0.00 H new ATOM 61 N PHE A 7 5.773 -11.152 -5.155 1.00 0.00 N ATOM 62 CA PHE A 7 5.222 -10.313 -4.084 1.00 0.00 C ATOM 63 C PHE A 7 4.107 -9.407 -4.620 1.00 0.00 C ATOM 64 O PHE A 7 3.000 -9.395 -4.084 1.00 0.00 O ATOM 65 CB PHE A 7 6.372 -9.506 -3.466 1.00 0.00 C ATOM 66 CG PHE A 7 6.039 -8.775 -2.180 1.00 0.00 C ATOM 67 CD1 PHE A 7 5.495 -7.477 -2.220 1.00 0.00 C ATOM 68 CD2 PHE A 7 6.328 -9.371 -0.937 1.00 0.00 C ATOM 69 CE1 PHE A 7 5.262 -6.775 -1.023 1.00 0.00 C ATOM 70 CE2 PHE A 7 6.078 -8.680 0.259 1.00 0.00 C ATOM 71 CZ PHE A 7 5.544 -7.384 0.212 1.00 0.00 C ATOM 0 H PHE A 7 6.779 -11.038 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 7 4.768 -10.935 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.205 -10.182 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.716 -8.777 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.257 -7.020 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.745 -10.367 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.867 -5.770 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.296 -9.144 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.348 -6.851 1.130 1.00 0.00 H new ATOM 80 N ALA A 8 4.358 -8.722 -5.740 1.00 0.00 N ATOM 81 CA ALA A 8 3.354 -7.921 -6.424 1.00 0.00 C ATOM 82 C ALA A 8 2.157 -8.743 -6.937 1.00 0.00 C ATOM 83 O ALA A 8 1.042 -8.241 -6.887 1.00 0.00 O ATOM 84 CB ALA A 8 4.014 -7.099 -7.536 1.00 0.00 C ATOM 0 H ALA A 8 5.271 -8.712 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 8 2.926 -7.238 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.258 -6.501 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.767 -6.440 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.488 -7.770 -8.252 1.00 0.00 H new ATOM 90 N GLN A 9 2.326 -10.001 -7.363 1.00 0.00 N ATOM 91 CA GLN A 9 1.213 -10.866 -7.784 1.00 0.00 C ATOM 92 C GLN A 9 0.218 -11.125 -6.649 1.00 0.00 C ATOM 93 O GLN A 9 -0.970 -10.857 -6.811 1.00 0.00 O ATOM 94 CB GLN A 9 1.734 -12.201 -8.351 1.00 0.00 C ATOM 95 CG GLN A 9 2.065 -12.132 -9.850 1.00 0.00 C ATOM 96 CD GLN A 9 0.835 -12.295 -10.748 1.00 0.00 C ATOM 97 OE1 GLN A 9 -0.273 -11.870 -10.446 1.00 0.00 O ATOM 98 NE2 GLN A 9 0.973 -12.936 -11.889 1.00 0.00 N ATOM 0 H GLN A 9 3.240 -10.450 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 9 0.682 -10.332 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.627 -12.498 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.985 -12.976 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.541 -11.176 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.789 -12.910 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.886 -13.299 -12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.167 -13.069 -12.500 1.00 0.00 H new ATOM 105 N ALA A 10 0.677 -11.594 -5.484 1.00 0.00 N ATOM 106 CA ALA A 10 -0.212 -11.829 -4.343 1.00 0.00 C ATOM 107 C ALA A 10 -0.762 -10.518 -3.760 1.00 0.00 C ATOM 108 O ALA A 10 -1.954 -10.421 -3.456 1.00 0.00 O ATOM 109 CB ALA A 10 0.559 -12.585 -3.273 1.00 0.00 C ATOM 0 H ALA A 10 1.656 -11.818 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.066 -12.412 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.090 -12.767 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.903 -13.537 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.418 -11.993 -2.957 1.00 0.00 H new ATOM 115 N ALA A 11 0.086 -9.488 -3.654 1.00 0.00 N ATOM 116 CA ALA A 11 -0.340 -8.179 -3.188 1.00 0.00 C ATOM 117 C ALA A 11 -1.434 -7.594 -4.091 1.00 0.00 C ATOM 118 O ALA A 11 -2.507 -7.265 -3.597 1.00 0.00 O ATOM 119 CB ALA A 11 0.875 -7.255 -3.076 1.00 0.00 C ATOM 0 H ALA A 11 1.077 -9.545 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.783 -8.279 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.555 -6.273 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.589 -7.677 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.348 -7.156 -4.053 1.00 0.00 H new ATOM 125 N SER A 12 -1.224 -7.547 -5.410 1.00 0.00 N ATOM 126 CA SER A 12 -2.241 -7.142 -6.386 1.00 0.00 C ATOM 127 C SER A 12 -3.459 -8.068 -6.400 1.00 0.00 C ATOM 128 O SER A 12 -4.563 -7.565 -6.560 1.00 0.00 O ATOM 129 CB SER A 12 -1.662 -7.040 -7.802 1.00 0.00 C ATOM 130 OG SER A 12 -0.732 -5.969 -7.876 1.00 0.00 O ATOM 0 H SER A 12 -0.330 -7.793 -5.836 1.00 0.00 H new ATOM 0 HA SER A 12 -2.574 -6.156 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.172 -7.976 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.466 -6.883 -8.521 1.00 0.00 H new ATOM 0 HG SER A 12 0.149 -6.280 -7.580 1.00 0.00 H new ATOM 135 N SER A 13 -3.325 -9.381 -6.169 1.00 0.00 N ATOM 136 CA SER A 13 -4.480 -10.286 -6.001 1.00 0.00 C ATOM 137 C SER A 13 -5.387 -9.852 -4.845 1.00 0.00 C ATOM 138 O SER A 13 -6.605 -9.770 -5.022 1.00 0.00 O ATOM 139 CB SER A 13 -4.044 -11.741 -5.774 1.00 0.00 C ATOM 140 OG SER A 13 -3.870 -12.414 -7.010 1.00 0.00 O ATOM 0 H SER A 13 -2.421 -9.847 -6.093 1.00 0.00 H new ATOM 0 HA SER A 13 -5.041 -10.225 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.112 -11.762 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.792 -12.260 -5.174 1.00 0.00 H new ATOM 0 HG SER A 13 -3.591 -13.338 -6.843 1.00 0.00 H new ATOM 145 N SER A 14 -4.817 -9.523 -3.679 1.00 0.00 N ATOM 146 CA SER A 14 -5.591 -8.989 -2.552 1.00 0.00 C ATOM 147 C SER A 14 -6.084 -7.561 -2.834 1.00 0.00 C ATOM 148 O SER A 14 -7.281 -7.300 -2.792 1.00 0.00 O ATOM 149 CB SER A 14 -4.769 -9.056 -1.260 1.00 0.00 C ATOM 150 OG SER A 14 -5.601 -8.775 -0.147 1.00 0.00 O ATOM 0 H SER A 14 -3.819 -9.618 -3.491 1.00 0.00 H new ATOM 0 HA SER A 14 -6.477 -9.611 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.324 -10.045 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.948 -8.340 -1.302 1.00 0.00 H new ATOM 0 HG SER A 14 -5.174 -9.104 0.672 1.00 0.00 H new ATOM 155 N LEU A 15 -5.205 -6.637 -3.226 1.00 0.00 N ATOM 156 CA LEU A 15 -5.540 -5.226 -3.466 1.00 0.00 C ATOM 157 C LEU A 15 -6.584 -5.025 -4.592 1.00 0.00 C ATOM 158 O LEU A 15 -7.416 -4.124 -4.490 1.00 0.00 O ATOM 159 CB LEU A 15 -4.248 -4.431 -3.738 1.00 0.00 C ATOM 160 CG LEU A 15 -3.248 -4.372 -2.558 1.00 0.00 C ATOM 161 CD1 LEU A 15 -1.817 -4.055 -3.003 1.00 0.00 C ATOM 162 CD2 LEU A 15 -3.633 -3.322 -1.518 1.00 0.00 C ATOM 0 H LEU A 15 -4.221 -6.849 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.018 -4.843 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.744 -4.871 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.519 -3.412 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.290 -5.371 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.163 -4.027 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.471 -4.826 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.797 -3.086 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.899 -3.322 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.658 -2.338 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.617 -3.556 -1.112 1.00 0.00 H new ATOM 173 N ALA A 16 -6.606 -5.879 -5.624 1.00 0.00 N ATOM 174 CA ALA A 16 -7.642 -5.899 -6.666 1.00 0.00 C ATOM 175 C ALA A 16 -8.999 -6.453 -6.180 1.00 0.00 C ATOM 176 O ALA A 16 -10.039 -6.091 -6.734 1.00 0.00 O ATOM 177 CB ALA A 16 -7.143 -6.715 -7.868 1.00 0.00 C ATOM 0 H ALA A 16 -5.888 -6.591 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.821 -4.862 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.911 -6.730 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.236 -6.259 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.927 -7.735 -7.551 1.00 0.00 H new ATOM 183 N THR A 17 -9.009 -7.305 -5.145 1.00 0.00 N ATOM 184 CA THR A 17 -10.238 -7.803 -4.491 1.00 0.00 C ATOM 185 C THR A 17 -10.731 -6.863 -3.376 1.00 0.00 C ATOM 186 O THR A 17 -11.912 -6.868 -3.022 1.00 0.00 O ATOM 187 CB THR A 17 -10.044 -9.262 -4.011 1.00 0.00 C ATOM 188 OG1 THR A 17 -11.173 -10.023 -4.380 1.00 0.00 O ATOM 189 CG2 THR A 17 -9.839 -9.497 -2.510 1.00 0.00 C ATOM 0 H THR A 17 -8.154 -7.676 -4.729 1.00 0.00 H new ATOM 0 HA THR A 17 -11.036 -7.809 -5.233 1.00 0.00 H new ATOM 0 HB THR A 17 -9.111 -9.556 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.056 -10.949 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.717 -10.564 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.947 -8.966 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.707 -9.129 -1.962 1.00 0.00 H new ATOM 197 N SER A 18 -9.846 -6.007 -2.856 1.00 0.00 N ATOM 198 CA SER A 18 -10.105 -5.028 -1.796 1.00 0.00 C ATOM 199 C SER A 18 -10.592 -3.688 -2.363 1.00 0.00 C ATOM 200 O SER A 18 -9.836 -2.723 -2.480 1.00 0.00 O ATOM 201 CB SER A 18 -8.845 -4.834 -0.940 1.00 0.00 C ATOM 202 OG SER A 18 -8.501 -6.033 -0.270 1.00 0.00 O ATOM 0 H SER A 18 -8.879 -5.977 -3.180 1.00 0.00 H new ATOM 0 HA SER A 18 -10.905 -5.418 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.016 -4.515 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.014 -4.041 -0.212 1.00 0.00 H new ATOM 0 HG SER A 18 -8.069 -6.647 -0.900 1.00 0.00 H new ATOM 207 N SER A 19 -11.880 -3.592 -2.703 1.00 0.00 N ATOM 208 CA SER A 19 -12.510 -2.348 -3.191 1.00 0.00 C ATOM 209 C SER A 19 -12.323 -1.142 -2.254 1.00 0.00 C ATOM 210 O SER A 19 -12.263 -0.010 -2.726 1.00 0.00 O ATOM 211 CB SER A 19 -14.004 -2.569 -3.454 1.00 0.00 C ATOM 212 OG SER A 19 -14.195 -3.664 -4.338 1.00 0.00 O ATOM 0 H SER A 19 -12.526 -4.379 -2.649 1.00 0.00 H new ATOM 0 HA SER A 19 -11.994 -2.103 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.521 -2.758 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.442 -1.667 -3.882 1.00 0.00 H new ATOM 0 HG SER A 19 -15.154 -3.794 -4.495 1.00 0.00 H new ATOM 217 N ALA A 20 -12.146 -1.355 -0.945 1.00 0.00 N ATOM 218 CA ALA A 20 -11.793 -0.310 0.027 1.00 0.00 C ATOM 219 C ALA A 20 -10.508 0.474 -0.329 1.00 0.00 C ATOM 220 O ALA A 20 -10.386 1.652 0.006 1.00 0.00 O ATOM 221 CB ALA A 20 -11.688 -0.957 1.412 1.00 0.00 C ATOM 0 H ALA A 20 -12.246 -2.278 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.583 0.441 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.426 -0.198 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.645 -1.406 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.918 -1.728 1.396 1.00 0.00 H new ATOM 227 N ILE A 21 -9.570 -0.148 -1.051 1.00 0.00 N ATOM 228 CA ILE A 21 -8.340 0.484 -1.557 1.00 0.00 C ATOM 229 C ILE A 21 -8.657 1.416 -2.728 1.00 0.00 C ATOM 230 O ILE A 21 -8.214 2.564 -2.752 1.00 0.00 O ATOM 231 CB ILE A 21 -7.331 -0.598 -2.005 1.00 0.00 C ATOM 232 CG1 ILE A 21 -7.144 -1.719 -0.969 1.00 0.00 C ATOM 233 CG2 ILE A 21 -5.978 0.029 -2.344 1.00 0.00 C ATOM 234 CD1 ILE A 21 -6.645 -1.271 0.399 1.00 0.00 C ATOM 0 H ILE A 21 -9.644 -1.132 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.899 1.072 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.757 -1.056 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.097 -2.232 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.441 -2.449 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.284 -0.751 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.103 0.749 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.582 0.536 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.548 -2.138 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.674 -0.787 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.355 -0.567 0.833 1.00 0.00 H new ATOM 245 N SER A 22 -9.489 0.944 -3.663 1.00 0.00 N ATOM 246 CA SER A 22 -10.023 1.768 -4.750 1.00 0.00 C ATOM 247 C SER A 22 -10.757 2.987 -4.210 1.00 0.00 C ATOM 248 O SER A 22 -10.497 4.106 -4.640 1.00 0.00 O ATOM 249 CB SER A 22 -10.950 0.933 -5.644 1.00 0.00 C ATOM 250 OG SER A 22 -11.381 1.691 -6.762 1.00 0.00 O ATOM 0 H SER A 22 -9.811 -0.024 -3.686 1.00 0.00 H new ATOM 0 HA SER A 22 -9.184 2.123 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.428 0.039 -5.984 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.814 0.599 -5.070 1.00 0.00 H new ATOM 0 HG SER A 22 -11.970 1.143 -7.322 1.00 0.00 H new ATOM 255 N ARG A 23 -11.590 2.794 -3.186 1.00 0.00 N ATOM 256 CA ARG A 23 -12.319 3.857 -2.482 1.00 0.00 C ATOM 257 C ARG A 23 -11.384 4.863 -1.799 1.00 0.00 C ATOM 258 O ARG A 23 -11.588 6.065 -1.955 1.00 0.00 O ATOM 259 CB ARG A 23 -13.271 3.193 -1.482 1.00 0.00 C ATOM 260 CG ARG A 23 -14.394 2.394 -2.169 1.00 0.00 C ATOM 261 CD ARG A 23 -15.100 1.459 -1.175 1.00 0.00 C ATOM 262 NE ARG A 23 -16.456 1.923 -0.835 1.00 0.00 N ATOM 263 CZ ARG A 23 -17.214 1.480 0.151 1.00 0.00 C ATOM 264 NH1 ARG A 23 -16.809 0.554 0.977 1.00 0.00 N ATOM 265 NH2 ARG A 23 -18.413 1.956 0.322 1.00 0.00 N ATOM 0 H ARG A 23 -11.784 1.866 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.886 4.443 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.702 2.527 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.713 3.959 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.120 3.082 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.978 1.809 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.158 0.457 -1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.505 1.385 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.849 2.661 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.879 0.148 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.422 0.236 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.771 2.675 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.995 1.611 1.085 1.00 0.00 H new ATOM 276 N ALA A 24 -10.335 4.407 -1.111 1.00 0.00 N ATOM 277 CA ALA A 24 -9.323 5.286 -0.515 1.00 0.00 C ATOM 278 C ALA A 24 -8.600 6.151 -1.569 1.00 0.00 C ATOM 279 O ALA A 24 -8.448 7.359 -1.379 1.00 0.00 O ATOM 280 CB ALA A 24 -8.339 4.435 0.303 1.00 0.00 C ATOM 0 H ALA A 24 -10.162 3.415 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.822 5.992 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.583 5.081 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.879 3.910 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.855 3.709 -0.351 1.00 0.00 H new ATOM 286 N PHE A 25 -8.213 5.571 -2.711 1.00 0.00 N ATOM 287 CA PHE A 25 -7.567 6.308 -3.805 1.00 0.00 C ATOM 288 C PHE A 25 -8.528 7.120 -4.697 1.00 0.00 C ATOM 289 O PHE A 25 -8.099 8.082 -5.331 1.00 0.00 O ATOM 290 CB PHE A 25 -6.735 5.344 -4.656 1.00 0.00 C ATOM 291 CG PHE A 25 -5.545 4.716 -3.944 1.00 0.00 C ATOM 292 CD1 PHE A 25 -4.632 5.518 -3.228 1.00 0.00 C ATOM 293 CD2 PHE A 25 -5.333 3.326 -4.018 1.00 0.00 C ATOM 294 CE1 PHE A 25 -3.563 4.930 -2.531 1.00 0.00 C ATOM 295 CE2 PHE A 25 -4.244 2.740 -3.344 1.00 0.00 C ATOM 296 CZ PHE A 25 -3.387 3.538 -2.572 1.00 0.00 C ATOM 0 H PHE A 25 -8.339 4.577 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.929 7.051 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.386 4.547 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.372 5.879 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.755 6.591 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.007 2.708 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.880 5.547 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.069 1.677 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.589 3.080 -2.007 1.00 0.00 H new ATOM 305 N ALA A 26 -9.820 6.781 -4.741 1.00 0.00 N ATOM 306 CA ALA A 26 -10.858 7.529 -5.458 1.00 0.00 C ATOM 307 C ALA A 26 -11.445 8.686 -4.627 1.00 0.00 C ATOM 308 O ALA A 26 -11.948 9.658 -5.196 1.00 0.00 O ATOM 309 CB ALA A 26 -11.965 6.555 -5.880 1.00 0.00 C ATOM 0 H ALA A 26 -10.183 5.955 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.399 7.987 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.744 7.099 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.546 5.788 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.393 6.085 -4.995 1.00 0.00 H new ATOM 315 N SER A 27 -11.363 8.611 -3.292 1.00 0.00 N ATOM 316 CA SER A 27 -11.660 9.727 -2.385 1.00 0.00 C ATOM 317 C SER A 27 -10.809 10.962 -2.712 1.00 0.00 C ATOM 318 O SER A 27 -11.323 12.084 -2.787 1.00 0.00 O ATOM 319 CB SER A 27 -11.408 9.296 -0.936 1.00 0.00 C ATOM 320 OG SER A 27 -11.413 10.436 -0.100 1.00 0.00 O ATOM 0 H SER A 27 -11.084 7.760 -2.804 1.00 0.00 H new ATOM 0 HA SER A 27 -12.708 9.996 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.176 8.593 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.451 8.779 -0.860 1.00 0.00 H new ATOM 0 HG SER A 27 -11.254 10.162 0.827 1.00 0.00 H new ATOM 325 N VAL A 28 -9.510 10.750 -2.948 1.00 0.00 N ATOM 326 CA VAL A 28 -8.560 11.811 -3.297 1.00 0.00 C ATOM 327 C VAL A 28 -8.594 12.133 -4.798 1.00 0.00 C ATOM 328 O VAL A 28 -8.743 11.249 -5.644 1.00 0.00 O ATOM 329 CB VAL A 28 -7.135 11.467 -2.816 1.00 0.00 C ATOM 330 CG1 VAL A 28 -7.095 11.381 -1.285 1.00 0.00 C ATOM 331 CG2 VAL A 28 -6.568 10.158 -3.369 1.00 0.00 C ATOM 0 H VAL A 28 -9.084 9.825 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.871 12.715 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.515 12.278 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.083 11.138 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.392 12.339 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.781 10.605 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.564 10.002 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.209 9.329 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.527 10.210 -4.457 1.00 0.00 H new ATOM 341 N SER A 29 -8.400 13.414 -5.127 1.00 0.00 N ATOM 342 CA SER A 29 -8.382 13.956 -6.502 1.00 0.00 C ATOM 343 C SER A 29 -7.085 14.728 -6.805 1.00 0.00 C ATOM 344 O SER A 29 -7.017 15.503 -7.760 1.00 0.00 O ATOM 345 CB SER A 29 -9.620 14.836 -6.742 1.00 0.00 C ATOM 346 OG SER A 29 -10.794 14.042 -6.819 1.00 0.00 O ATOM 0 H SER A 29 -8.245 14.134 -4.421 1.00 0.00 H new ATOM 0 HA SER A 29 -8.412 13.112 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.718 15.562 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.497 15.402 -7.666 1.00 0.00 H new ATOM 0 HG SER A 29 -11.571 14.620 -6.970 1.00 0.00 H new ATOM 351 N SER A 30 -6.043 14.514 -5.993 1.00 0.00 N ATOM 352 CA SER A 30 -4.733 15.162 -6.109 1.00 0.00 C ATOM 353 C SER A 30 -3.615 14.147 -5.872 1.00 0.00 C ATOM 354 O SER A 30 -3.724 13.291 -4.989 1.00 0.00 O ATOM 355 CB SER A 30 -4.633 16.304 -5.094 1.00 0.00 C ATOM 356 OG SER A 30 -3.471 17.073 -5.351 1.00 0.00 O ATOM 0 H SER A 30 -6.091 13.862 -5.210 1.00 0.00 H new ATOM 0 HA SER A 30 -4.624 15.566 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.519 16.936 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.597 15.901 -4.082 1.00 0.00 H new ATOM 0 HG SER A 30 -3.412 17.804 -4.700 1.00 0.00 H new ATOM 361 N ALA A 31 -2.535 14.237 -6.650 1.00 0.00 N ATOM 362 CA ALA A 31 -1.416 13.301 -6.564 1.00 0.00 C ATOM 363 C ALA A 31 -0.740 13.389 -5.188 1.00 0.00 C ATOM 364 O ALA A 31 -0.515 12.362 -4.557 1.00 0.00 O ATOM 365 CB ALA A 31 -0.439 13.579 -7.714 1.00 0.00 C ATOM 0 H ALA A 31 -2.413 14.962 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.778 12.278 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.399 12.884 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.952 13.450 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.068 14.601 -7.637 1.00 0.00 H new ATOM 371 N SER A 32 -0.524 14.606 -4.672 1.00 0.00 N ATOM 372 CA SER A 32 -0.035 14.842 -3.304 1.00 0.00 C ATOM 373 C SER A 32 -0.963 14.283 -2.220 1.00 0.00 C ATOM 374 O SER A 32 -0.473 13.754 -1.224 1.00 0.00 O ATOM 375 CB SER A 32 0.175 16.341 -3.053 1.00 0.00 C ATOM 376 OG SER A 32 1.486 16.718 -3.443 1.00 0.00 O ATOM 0 H SER A 32 -0.685 15.465 -5.197 1.00 0.00 H new ATOM 0 HA SER A 32 0.912 14.307 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.560 16.919 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.021 16.567 -1.998 1.00 0.00 H new ATOM 0 HG SER A 32 1.612 17.676 -3.282 1.00 0.00 H new ATOM 381 N ALA A 33 -2.288 14.343 -2.398 1.00 0.00 N ATOM 382 CA ALA A 33 -3.231 13.752 -1.445 1.00 0.00 C ATOM 383 C ALA A 33 -3.131 12.216 -1.423 1.00 0.00 C ATOM 384 O ALA A 33 -3.093 11.621 -0.345 1.00 0.00 O ATOM 385 CB ALA A 33 -4.651 14.226 -1.771 1.00 0.00 C ATOM 0 H ALA A 33 -2.731 14.797 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.973 14.089 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.353 13.787 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.697 15.313 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.915 13.916 -2.782 1.00 0.00 H new ATOM 391 N ALA A 34 -3.013 11.573 -2.590 1.00 0.00 N ATOM 392 CA ALA A 34 -2.749 10.138 -2.689 1.00 0.00 C ATOM 393 C ALA A 34 -1.369 9.760 -2.110 1.00 0.00 C ATOM 394 O ALA A 34 -1.272 8.798 -1.349 1.00 0.00 O ATOM 395 CB ALA A 34 -2.911 9.708 -4.152 1.00 0.00 C ATOM 0 H ALA A 34 -3.099 12.037 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.472 9.595 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.717 8.639 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.927 9.921 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.204 10.258 -4.773 1.00 0.00 H new ATOM 401 N SER A 35 -0.322 10.543 -2.395 1.00 0.00 N ATOM 402 CA SER A 35 1.020 10.386 -1.817 1.00 0.00 C ATOM 403 C SER A 35 0.993 10.453 -0.289 1.00 0.00 C ATOM 404 O SER A 35 1.525 9.560 0.365 1.00 0.00 O ATOM 405 CB SER A 35 1.977 11.464 -2.342 1.00 0.00 C ATOM 406 OG SER A 35 2.185 11.327 -3.734 1.00 0.00 O ATOM 0 H SER A 35 -0.385 11.323 -3.050 1.00 0.00 H new ATOM 0 HA SER A 35 1.374 9.401 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.569 12.452 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.931 11.393 -1.820 1.00 0.00 H new ATOM 0 HG SER A 35 1.390 11.638 -4.216 1.00 0.00 H new ATOM 411 N SER A 36 0.329 11.455 0.294 1.00 0.00 N ATOM 412 CA SER A 36 0.141 11.579 1.745 1.00 0.00 C ATOM 413 C SER A 36 -0.738 10.476 2.339 1.00 0.00 C ATOM 414 O SER A 36 -0.491 10.063 3.470 1.00 0.00 O ATOM 415 CB SER A 36 -0.457 12.943 2.106 1.00 0.00 C ATOM 416 OG SER A 36 0.492 13.972 1.872 1.00 0.00 O ATOM 0 H SER A 36 -0.100 12.214 -0.235 1.00 0.00 H new ATOM 0 HA SER A 36 1.136 11.478 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.354 13.124 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.761 12.950 3.153 1.00 0.00 H new ATOM 0 HG SER A 36 0.492 14.206 0.920 1.00 0.00 H new ATOM 421 N LEU A 37 -1.719 9.940 1.602 1.00 0.00 N ATOM 422 CA LEU A 37 -2.471 8.755 2.036 1.00 0.00 C ATOM 423 C LEU A 37 -1.562 7.525 2.110 1.00 0.00 C ATOM 424 O LEU A 37 -1.493 6.891 3.160 1.00 0.00 O ATOM 425 CB LEU A 37 -3.678 8.478 1.114 1.00 0.00 C ATOM 426 CG LEU A 37 -5.038 8.658 1.809 1.00 0.00 C ATOM 427 CD1 LEU A 37 -6.147 8.367 0.802 1.00 0.00 C ATOM 428 CD2 LEU A 37 -5.240 7.708 2.997 1.00 0.00 C ATOM 0 H LEU A 37 -2.012 10.310 0.698 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.854 8.963 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.628 9.145 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.607 7.460 0.732 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.067 9.682 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.117 8.491 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.067 9.058 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.050 7.344 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.218 7.886 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.181 6.676 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.464 7.886 3.741 1.00 0.00 H new ATOM 439 N ALA A 38 -0.821 7.233 1.036 1.00 0.00 N ATOM 440 CA ALA A 38 0.182 6.170 0.990 1.00 0.00 C ATOM 441 C ALA A 38 1.267 6.347 2.066 1.00 0.00 C ATOM 442 O ALA A 38 1.740 5.362 2.632 1.00 0.00 O ATOM 443 CB ALA A 38 0.780 6.116 -0.417 1.00 0.00 C ATOM 0 H ALA A 38 -0.906 7.742 0.156 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.302 5.219 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.530 5.326 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.009 5.910 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.246 7.073 -0.651 1.00 0.00 H new ATOM 449 N TYR A 39 1.615 7.593 2.400 1.00 0.00 N ATOM 450 CA TYR A 39 2.514 7.919 3.502 1.00 0.00 C ATOM 451 C TYR A 39 1.888 7.592 4.869 1.00 0.00 C ATOM 452 O TYR A 39 2.482 6.853 5.647 1.00 0.00 O ATOM 453 CB TYR A 39 2.958 9.384 3.406 1.00 0.00 C ATOM 454 CG TYR A 39 4.256 9.677 4.128 1.00 0.00 C ATOM 455 CD1 TYR A 39 5.481 9.398 3.489 1.00 0.00 C ATOM 456 CD2 TYR A 39 4.248 10.263 5.409 1.00 0.00 C ATOM 457 CE1 TYR A 39 6.697 9.731 4.111 1.00 0.00 C ATOM 458 CE2 TYR A 39 5.464 10.596 6.037 1.00 0.00 C ATOM 459 CZ TYR A 39 6.690 10.348 5.380 1.00 0.00 C ATOM 460 OH TYR A 39 7.861 10.731 5.958 1.00 0.00 O ATOM 0 H TYR A 39 1.272 8.414 1.902 1.00 0.00 H new ATOM 0 HA TYR A 39 3.401 7.291 3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.069 9.652 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.173 10.020 3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.485 8.926 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.311 10.457 5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.634 9.515 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.459 11.041 7.021 1.00 0.00 H new ATOM 0 HH TYR A 39 7.677 11.140 6.829 1.00 0.00 H new ATOM 469 N ASN A 40 0.665 8.058 5.149 1.00 0.00 N ATOM 470 CA ASN A 40 -0.065 7.787 6.395 1.00 0.00 C ATOM 471 C ASN A 40 -0.290 6.282 6.633 1.00 0.00 C ATOM 472 O ASN A 40 0.053 5.760 7.698 1.00 0.00 O ATOM 473 CB ASN A 40 -1.420 8.529 6.368 1.00 0.00 C ATOM 474 CG ASN A 40 -1.355 9.989 6.798 1.00 0.00 C ATOM 475 OD1 ASN A 40 -0.328 10.653 6.767 1.00 0.00 O ATOM 476 ND2 ASN A 40 -2.463 10.531 7.255 1.00 0.00 N ATOM 0 H ASN A 40 0.143 8.648 4.501 1.00 0.00 H new ATOM 0 HA ASN A 40 0.546 8.150 7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.826 8.480 5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.119 8.004 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.461 11.498 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.324 9.984 7.284 1.00 0.00 H new ATOM 482 N ILE A 41 -0.848 5.571 5.646 1.00 0.00 N ATOM 483 CA ILE A 41 -1.119 4.128 5.755 1.00 0.00 C ATOM 484 C ILE A 41 0.177 3.306 5.754 1.00 0.00 C ATOM 485 O ILE A 41 0.268 2.300 6.461 1.00 0.00 O ATOM 486 CB ILE A 41 -2.117 3.631 4.678 1.00 0.00 C ATOM 487 CG1 ILE A 41 -1.493 3.593 3.267 1.00 0.00 C ATOM 488 CG2 ILE A 41 -3.429 4.432 4.771 1.00 0.00 C ATOM 489 CD1 ILE A 41 -2.478 3.376 2.113 1.00 0.00 C ATOM 0 H ILE A 41 -1.124 5.976 4.751 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.601 3.973 6.720 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.367 2.590 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.964 4.531 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.748 2.797 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.126 4.078 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.869 4.296 5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.222 5.490 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.935 3.366 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.991 2.424 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.210 4.184 2.102 1.00 0.00 H new ATOM 500 N GLY A 42 1.195 3.770 5.022 1.00 0.00 N ATOM 501 CA GLY A 42 2.537 3.195 4.989 1.00 0.00 C ATOM 502 C GLY A 42 3.257 3.313 6.329 1.00 0.00 C ATOM 503 O GLY A 42 3.841 2.335 6.773 1.00 0.00 O ATOM 0 H GLY A 42 1.100 4.585 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.472 2.144 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.124 3.696 4.219 1.00 0.00 H new ATOM 507 N LEU A 43 3.156 4.453 7.021 1.00 0.00 N ATOM 508 CA LEU A 43 3.652 4.645 8.392 1.00 0.00 C ATOM 509 C LEU A 43 2.992 3.684 9.391 1.00 0.00 C ATOM 510 O LEU A 43 3.691 3.119 10.230 1.00 0.00 O ATOM 511 CB LEU A 43 3.427 6.113 8.822 1.00 0.00 C ATOM 512 CG LEU A 43 4.647 7.050 8.715 1.00 0.00 C ATOM 513 CD1 LEU A 43 5.454 6.929 7.428 1.00 0.00 C ATOM 514 CD2 LEU A 43 4.178 8.501 8.808 1.00 0.00 C ATOM 0 H LEU A 43 2.717 5.289 6.636 1.00 0.00 H new ATOM 0 HA LEU A 43 4.718 4.420 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.622 6.528 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.081 6.118 9.856 1.00 0.00 H new ATOM 0 HG LEU A 43 5.299 6.749 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.288 7.630 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.837 5.913 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.815 7.157 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.038 9.167 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.484 8.712 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.678 8.661 9.763 1.00 0.00 H new ATOM 525 N SER A 44 1.677 3.460 9.295 1.00 0.00 N ATOM 526 CA SER A 44 0.969 2.490 10.142 1.00 0.00 C ATOM 527 C SER A 44 1.451 1.054 9.888 1.00 0.00 C ATOM 528 O SER A 44 1.859 0.364 10.826 1.00 0.00 O ATOM 529 CB SER A 44 -0.540 2.605 9.914 1.00 0.00 C ATOM 530 OG SER A 44 -1.250 1.704 10.748 1.00 0.00 O ATOM 0 H SER A 44 1.074 3.944 8.630 1.00 0.00 H new ATOM 0 HA SER A 44 1.192 2.724 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.865 3.626 10.115 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.770 2.397 8.869 1.00 0.00 H new ATOM 0 HG SER A 44 -2.212 1.797 10.586 1.00 0.00 H new ATOM 535 N ALA A 45 1.504 0.619 8.621 1.00 0.00 N ATOM 536 CA ALA A 45 2.038 -0.694 8.247 1.00 0.00 C ATOM 537 C ALA A 45 3.513 -0.864 8.659 1.00 0.00 C ATOM 538 O ALA A 45 3.887 -1.891 9.220 1.00 0.00 O ATOM 539 CB ALA A 45 1.849 -0.889 6.739 1.00 0.00 C ATOM 0 H ALA A 45 1.177 1.170 7.827 1.00 0.00 H new ATOM 0 HA ALA A 45 1.488 -1.464 8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.242 -1.863 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.788 -0.838 6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.383 -0.105 6.201 1.00 0.00 H new ATOM 545 N ALA A 46 4.344 0.155 8.439 1.00 0.00 N ATOM 546 CA ALA A 46 5.755 0.162 8.801 1.00 0.00 C ATOM 547 C ALA A 46 5.980 0.099 10.327 1.00 0.00 C ATOM 548 O ALA A 46 6.818 -0.684 10.777 1.00 0.00 O ATOM 549 CB ALA A 46 6.399 1.387 8.147 1.00 0.00 C ATOM 0 H ALA A 46 4.042 1.021 7.992 1.00 0.00 H new ATOM 0 HA ALA A 46 6.236 -0.741 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.459 1.420 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.287 1.323 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.911 2.292 8.510 1.00 0.00 H new ATOM 555 N ARG A 47 5.178 0.811 11.137 1.00 0.00 N ATOM 556 CA ARG A 47 5.169 0.688 12.610 1.00 0.00 C ATOM 557 C ARG A 47 4.762 -0.717 13.066 1.00 0.00 C ATOM 558 O ARG A 47 5.442 -1.295 13.916 1.00 0.00 O ATOM 559 CB ARG A 47 4.279 1.783 13.234 1.00 0.00 C ATOM 560 CG ARG A 47 5.056 3.107 13.362 1.00 0.00 C ATOM 561 CD ARG A 47 4.174 4.355 13.514 1.00 0.00 C ATOM 562 NE ARG A 47 3.554 4.492 14.850 1.00 0.00 N ATOM 563 CZ ARG A 47 2.870 5.543 15.278 1.00 0.00 C ATOM 564 NH1 ARG A 47 2.613 6.562 14.506 1.00 0.00 N ATOM 565 NH2 ARG A 47 2.428 5.602 16.503 1.00 0.00 N ATOM 0 H ARG A 47 4.509 1.497 10.786 1.00 0.00 H new ATOM 0 HA ARG A 47 6.187 0.839 12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.393 1.934 12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.933 1.462 14.217 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.721 3.041 14.223 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.687 3.229 12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.776 5.240 13.311 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.387 4.326 12.760 1.00 0.00 H new ATOM 0 HE ARG A 47 3.662 3.711 15.497 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.941 6.566 13.540 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.083 7.355 14.868 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.607 4.832 17.147 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.903 6.418 16.817 1.00 0.00 H new ATOM 576 N SER A 48 3.732 -1.311 12.459 1.00 0.00 N ATOM 577 CA SER A 48 3.323 -2.706 12.709 1.00 0.00 C ATOM 578 C SER A 48 4.381 -3.746 12.298 1.00 0.00 C ATOM 579 O SER A 48 4.486 -4.798 12.932 1.00 0.00 O ATOM 580 CB SER A 48 2.006 -3.014 11.990 1.00 0.00 C ATOM 581 OG SER A 48 0.941 -2.306 12.605 1.00 0.00 O ATOM 0 H SER A 48 3.148 -0.836 11.771 1.00 0.00 H new ATOM 0 HA SER A 48 3.198 -2.788 13.789 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.081 -2.734 10.939 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.807 -4.085 12.021 1.00 0.00 H new ATOM 0 HG SER A 48 0.103 -2.507 12.139 1.00 0.00 H new ATOM 586 N LEU A 49 5.197 -3.449 11.281 1.00 0.00 N ATOM 587 CA LEU A 49 6.311 -4.283 10.803 1.00 0.00 C ATOM 588 C LEU A 49 7.672 -3.908 11.440 1.00 0.00 C ATOM 589 O LEU A 49 8.704 -4.472 11.067 1.00 0.00 O ATOM 590 CB LEU A 49 6.341 -4.220 9.258 1.00 0.00 C ATOM 591 CG LEU A 49 5.125 -4.869 8.563 1.00 0.00 C ATOM 592 CD1 LEU A 49 5.160 -4.580 7.060 1.00 0.00 C ATOM 593 CD2 LEU A 49 5.087 -6.388 8.748 1.00 0.00 C ATOM 0 H LEU A 49 5.097 -2.587 10.745 1.00 0.00 H new ATOM 0 HA LEU A 49 6.140 -5.311 11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.403 -3.176 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.248 -4.710 8.905 1.00 0.00 H new ATOM 0 HG LEU A 49 4.238 -4.437 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.297 -5.043 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.132 -3.503 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.076 -4.988 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.213 -6.795 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.990 -6.829 8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.031 -6.624 9.811 1.00 0.00 H new ATOM 604 N GLY A 50 7.691 -2.984 12.410 1.00 0.00 N ATOM 605 CA GLY A 50 8.883 -2.543 13.151 1.00 0.00 C ATOM 606 C GLY A 50 10.014 -1.961 12.289 1.00 0.00 C ATOM 607 O GLY A 50 11.190 -2.111 12.631 1.00 0.00 O ATOM 0 H GLY A 50 6.844 -2.504 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.580 -1.791 13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.276 -3.391 13.712 1.00 0.00 H new ATOM 611 N ILE A 51 9.678 -1.342 11.153 1.00 0.00 N ATOM 612 CA ILE A 51 10.626 -0.794 10.168 1.00 0.00 C ATOM 613 C ILE A 51 11.518 0.297 10.795 1.00 0.00 C ATOM 614 O ILE A 51 11.047 1.190 11.499 1.00 0.00 O ATOM 615 CB ILE A 51 9.835 -0.264 8.951 1.00 0.00 C ATOM 616 CG1 ILE A 51 8.995 -1.348 8.234 1.00 0.00 C ATOM 617 CG2 ILE A 51 10.727 0.441 7.919 1.00 0.00 C ATOM 618 CD1 ILE A 51 9.776 -2.496 7.583 1.00 0.00 C ATOM 0 H ILE A 51 8.705 -1.202 10.881 1.00 0.00 H new ATOM 0 HA ILE A 51 11.298 -1.584 9.833 1.00 0.00 H new ATOM 0 HB ILE A 51 9.150 0.464 9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.299 -1.775 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.396 -0.862 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.115 0.791 7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.223 1.291 8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.477 -0.258 7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.079 -3.190 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.452 -2.094 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.353 -3.021 8.344 1.00 0.00 H new ATOM 629 N ALA A 52 12.821 0.253 10.502 1.00 0.00 N ATOM 630 CA ALA A 52 13.851 1.144 11.061 1.00 0.00 C ATOM 631 C ALA A 52 13.922 2.556 10.414 1.00 0.00 C ATOM 632 O ALA A 52 14.885 3.291 10.641 1.00 0.00 O ATOM 633 CB ALA A 52 15.186 0.391 10.973 1.00 0.00 C ATOM 0 H ALA A 52 13.205 -0.427 9.846 1.00 0.00 H new ATOM 0 HA ALA A 52 13.590 1.371 12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.983 1.015 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.121 -0.533 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.403 0.156 9.931 1.00 0.00 H new ATOM 639 N SER A 53 12.918 2.910 9.604 1.00 0.00 N ATOM 640 CA SER A 53 12.758 4.141 8.804 1.00 0.00 C ATOM 641 C SER A 53 11.373 4.122 8.136 1.00 0.00 C ATOM 642 O SER A 53 11.253 3.949 6.920 1.00 0.00 O ATOM 643 CB SER A 53 13.862 4.298 7.737 1.00 0.00 C ATOM 644 OG SER A 53 14.977 5.028 8.225 1.00 0.00 O ATOM 0 H SER A 53 12.120 2.288 9.476 1.00 0.00 H new ATOM 0 HA SER A 53 12.846 4.996 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.191 3.312 7.408 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.452 4.805 6.864 1.00 0.00 H new ATOM 0 HG SER A 53 15.237 4.679 9.103 1.00 0.00 H new ATOM 649 N ASP A 54 10.302 4.238 8.929 1.00 0.00 N ATOM 650 CA ASP A 54 8.914 4.255 8.419 1.00 0.00 C ATOM 651 C ASP A 54 8.748 5.287 7.295 1.00 0.00 C ATOM 652 O ASP A 54 8.153 5.014 6.255 1.00 0.00 O ATOM 653 CB ASP A 54 7.914 4.590 9.543 1.00 0.00 C ATOM 654 CG ASP A 54 8.137 3.792 10.834 1.00 0.00 C ATOM 655 OD1 ASP A 54 7.889 2.570 10.838 1.00 0.00 O ATOM 656 OD2 ASP A 54 8.563 4.407 11.844 1.00 0.00 O ATOM 0 H ASP A 54 10.366 4.323 9.943 1.00 0.00 H new ATOM 0 HA ASP A 54 8.708 3.258 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.981 5.654 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.902 4.404 9.183 1.00 0.00 H new ATOM 660 N THR A 55 9.361 6.452 7.499 1.00 0.00 N ATOM 661 CA THR A 55 9.428 7.605 6.596 1.00 0.00 C ATOM 662 C THR A 55 10.095 7.317 5.247 1.00 0.00 C ATOM 663 O THR A 55 9.722 7.934 4.250 1.00 0.00 O ATOM 664 CB THR A 55 10.191 8.744 7.294 1.00 0.00 C ATOM 665 OG1 THR A 55 11.469 8.286 7.693 1.00 0.00 O ATOM 666 CG2 THR A 55 9.476 9.225 8.560 1.00 0.00 C ATOM 0 H THR A 55 9.864 6.630 8.368 1.00 0.00 H new ATOM 0 HA THR A 55 8.396 7.878 6.375 1.00 0.00 H new ATOM 0 HB THR A 55 10.256 9.564 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.954 9.014 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.051 10.029 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.483 9.591 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.385 8.397 9.263 1.00 0.00 H new ATOM 674 N ALA A 56 11.042 6.373 5.171 1.00 0.00 N ATOM 675 CA ALA A 56 11.677 5.959 3.915 1.00 0.00 C ATOM 676 C ALA A 56 10.859 4.880 3.191 1.00 0.00 C ATOM 677 O ALA A 56 10.681 4.960 1.975 1.00 0.00 O ATOM 678 CB ALA A 56 13.093 5.449 4.199 1.00 0.00 C ATOM 0 H ALA A 56 11.391 5.871 5.987 1.00 0.00 H new ATOM 0 HA ALA A 56 11.724 6.827 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.563 5.142 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.681 6.244 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.044 4.597 4.878 1.00 0.00 H new ATOM 684 N LEU A 57 10.312 3.911 3.939 1.00 0.00 N ATOM 685 CA LEU A 57 9.411 2.877 3.410 1.00 0.00 C ATOM 686 C LEU A 57 8.192 3.538 2.757 1.00 0.00 C ATOM 687 O LEU A 57 7.954 3.403 1.560 1.00 0.00 O ATOM 688 CB LEU A 57 8.989 1.929 4.564 1.00 0.00 C ATOM 689 CG LEU A 57 8.986 0.422 4.252 1.00 0.00 C ATOM 690 CD1 LEU A 57 8.148 0.053 3.026 1.00 0.00 C ATOM 691 CD2 LEU A 57 10.406 -0.095 4.048 1.00 0.00 C ATOM 0 H LEU A 57 10.485 3.822 4.940 1.00 0.00 H new ATOM 0 HA LEU A 57 9.922 2.288 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.657 2.101 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.987 2.212 4.888 1.00 0.00 H new ATOM 0 HG LEU A 57 8.529 -0.051 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.192 -1.024 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.113 0.354 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.541 0.566 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.377 -1.162 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.870 0.434 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.988 0.074 4.954 1.00 0.00 H new ATOM 702 N ALA A 58 7.477 4.339 3.544 1.00 0.00 N ATOM 703 CA ALA A 58 6.303 5.090 3.136 1.00 0.00 C ATOM 704 C ALA A 58 6.631 6.236 2.162 1.00 0.00 C ATOM 705 O ALA A 58 5.797 6.580 1.329 1.00 0.00 O ATOM 706 CB ALA A 58 5.664 5.614 4.417 1.00 0.00 C ATOM 0 H ALA A 58 7.715 4.485 4.525 1.00 0.00 H new ATOM 0 HA ALA A 58 5.621 4.444 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.772 6.189 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.389 4.775 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.374 6.253 4.943 1.00 0.00 H new ATOM 712 N GLY A 59 7.845 6.796 2.211 1.00 0.00 N ATOM 713 CA GLY A 59 8.348 7.762 1.227 1.00 0.00 C ATOM 714 C GLY A 59 8.478 7.158 -0.172 1.00 0.00 C ATOM 715 O GLY A 59 8.046 7.770 -1.149 1.00 0.00 O ATOM 0 H GLY A 59 8.518 6.587 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.676 8.620 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.320 8.133 1.551 1.00 0.00 H new ATOM 719 N ALA A 60 8.983 5.924 -0.278 1.00 0.00 N ATOM 720 CA ALA A 60 8.970 5.166 -1.529 1.00 0.00 C ATOM 721 C ALA A 60 7.535 4.896 -2.024 1.00 0.00 C ATOM 722 O ALA A 60 7.266 5.045 -3.214 1.00 0.00 O ATOM 723 CB ALA A 60 9.771 3.869 -1.346 1.00 0.00 C ATOM 0 H ALA A 60 9.411 5.425 0.502 1.00 0.00 H new ATOM 0 HA ALA A 60 9.446 5.763 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.763 3.302 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.799 4.111 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.320 3.272 -0.553 1.00 0.00 H new ATOM 729 N LEU A 61 6.592 4.570 -1.127 1.00 0.00 N ATOM 730 CA LEU A 61 5.174 4.383 -1.483 1.00 0.00 C ATOM 731 C LEU A 61 4.503 5.685 -1.947 1.00 0.00 C ATOM 732 O LEU A 61 3.757 5.679 -2.926 1.00 0.00 O ATOM 733 CB LEU A 61 4.387 3.766 -0.311 1.00 0.00 C ATOM 734 CG LEU A 61 4.929 2.432 0.231 1.00 0.00 C ATOM 735 CD1 LEU A 61 3.938 1.818 1.217 1.00 0.00 C ATOM 736 CD2 LEU A 61 5.258 1.425 -0.868 1.00 0.00 C ATOM 0 H LEU A 61 6.789 4.428 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 61 5.157 3.692 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.365 4.487 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.356 3.615 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 61 5.865 2.664 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.335 0.875 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.782 2.503 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.988 1.637 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.635 0.506 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.358 1.205 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.016 1.843 -1.530 1.00 0.00 H new ATOM 747 N ALA A 62 4.800 6.808 -1.292 1.00 0.00 N ATOM 748 CA ALA A 62 4.345 8.135 -1.691 1.00 0.00 C ATOM 749 C ALA A 62 4.855 8.501 -3.097 1.00 0.00 C ATOM 750 O ALA A 62 4.063 8.868 -3.963 1.00 0.00 O ATOM 751 CB ALA A 62 4.797 9.139 -0.623 1.00 0.00 C ATOM 0 H ALA A 62 5.377 6.818 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 62 3.257 8.155 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.467 10.140 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.362 8.868 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.884 9.124 -0.546 1.00 0.00 H new ATOM 757 N GLN A 63 6.154 8.324 -3.366 1.00 0.00 N ATOM 758 CA GLN A 63 6.736 8.541 -4.697 1.00 0.00 C ATOM 759 C GLN A 63 6.229 7.547 -5.758 1.00 0.00 C ATOM 760 O GLN A 63 6.143 7.909 -6.930 1.00 0.00 O ATOM 761 CB GLN A 63 8.273 8.506 -4.615 1.00 0.00 C ATOM 762 CG GLN A 63 8.863 9.732 -3.893 1.00 0.00 C ATOM 763 CD GLN A 63 8.546 11.053 -4.597 1.00 0.00 C ATOM 764 OE1 GLN A 63 8.725 11.217 -5.798 1.00 0.00 O ATOM 765 NE2 GLN A 63 8.049 12.047 -3.889 1.00 0.00 N ATOM 0 H GLN A 63 6.833 8.026 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 63 6.406 9.527 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.583 7.600 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.684 8.451 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.476 9.768 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.944 9.617 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.892 11.931 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.821 12.932 -4.342 1.00 0.00 H new ATOM 772 N ALA A 64 5.847 6.324 -5.379 1.00 0.00 N ATOM 773 CA ALA A 64 5.224 5.358 -6.285 1.00 0.00 C ATOM 774 C ALA A 64 3.798 5.779 -6.691 1.00 0.00 C ATOM 775 O ALA A 64 3.467 5.814 -7.877 1.00 0.00 O ATOM 776 CB ALA A 64 5.239 3.986 -5.601 1.00 0.00 C ATOM 0 H ALA A 64 5.963 5.975 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 64 5.792 5.314 -7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.779 3.247 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.268 3.695 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.680 4.039 -4.667 1.00 0.00 H new ATOM 782 N VAL A 65 2.967 6.160 -5.712 1.00 0.00 N ATOM 783 CA VAL A 65 1.592 6.649 -5.918 1.00 0.00 C ATOM 784 C VAL A 65 1.557 7.971 -6.690 1.00 0.00 C ATOM 785 O VAL A 65 0.872 8.073 -7.710 1.00 0.00 O ATOM 786 CB VAL A 65 0.885 6.755 -4.552 1.00 0.00 C ATOM 787 CG1 VAL A 65 -0.358 7.639 -4.549 1.00 0.00 C ATOM 788 CG2 VAL A 65 0.469 5.350 -4.112 1.00 0.00 C ATOM 0 H VAL A 65 3.237 6.137 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 65 1.054 5.934 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 65 1.600 7.219 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.790 7.656 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.085 8.652 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.089 7.242 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.033 5.405 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.210 4.924 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.354 4.719 -4.025 1.00 0.00 H new ATOM 798 N GLY A 66 2.352 8.958 -6.268 1.00 0.00 N ATOM 799 CA GLY A 66 2.531 10.224 -6.986 1.00 0.00 C ATOM 800 C GLY A 66 3.234 10.070 -8.342 1.00 0.00 C ATOM 801 O GLY A 66 3.112 10.942 -9.203 1.00 0.00 O ATOM 0 H GLY A 66 2.896 8.900 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.555 10.684 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.109 10.907 -6.363 1.00 0.00 H new ATOM 805 N GLY A 67 3.937 8.951 -8.553 1.00 0.00 N ATOM 806 CA GLY A 67 4.642 8.611 -9.790 1.00 0.00 C ATOM 807 C GLY A 67 3.707 8.328 -10.970 1.00 0.00 C ATOM 808 O GLY A 67 3.997 8.746 -12.093 1.00 0.00 O ATOM 0 H GLY A 67 4.033 8.231 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.310 9.431 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.266 7.735 -9.614 1.00 0.00 H new ATOM 812 N VAL A 68 2.566 7.669 -10.724 1.00 0.00 N ATOM 813 CA VAL A 68 1.511 7.482 -11.741 1.00 0.00 C ATOM 814 C VAL A 68 0.705 8.776 -11.937 1.00 0.00 C ATOM 815 O VAL A 68 0.518 9.215 -13.074 1.00 0.00 O ATOM 816 CB VAL A 68 0.572 6.309 -11.384 1.00 0.00 C ATOM 817 CG1 VAL A 68 -0.432 6.057 -12.516 1.00 0.00 C ATOM 818 CG2 VAL A 68 1.338 4.995 -11.171 1.00 0.00 C ATOM 0 H VAL A 68 2.345 7.251 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 68 2.007 7.234 -12.680 1.00 0.00 H new ATOM 0 HB VAL A 68 0.069 6.598 -10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.085 5.227 -12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.032 6.953 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.106 5.812 -13.432 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.635 4.200 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.873 4.734 -12.084 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.051 5.117 -10.355 1.00 0.00 H new ATOM 828 N GLY A 69 0.256 9.406 -10.843 1.00 0.00 N ATOM 829 CA GLY A 69 -0.508 10.667 -10.841 1.00 0.00 C ATOM 830 C GLY A 69 -1.912 10.535 -10.237 1.00 0.00 C ATOM 831 O GLY A 69 -2.321 9.451 -9.823 1.00 0.00 O ATOM 0 H GLY A 69 0.418 9.043 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.049 11.419 -10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.595 11.031 -11.865 1.00 0.00 H new ATOM 835 N ALA A 70 -2.668 11.637 -10.180 1.00 0.00 N ATOM 836 CA ALA A 70 -4.071 11.638 -9.743 1.00 0.00 C ATOM 837 C ALA A 70 -5.020 10.998 -10.780 1.00 0.00 C ATOM 838 O ALA A 70 -4.737 10.989 -11.982 1.00 0.00 O ATOM 839 CB ALA A 70 -4.503 13.078 -9.454 1.00 0.00 C ATOM 0 H ALA A 70 -2.322 12.561 -10.438 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.138 11.030 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.543 13.087 -9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.874 13.496 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.400 13.677 -10.359 1.00 0.00 H new ATOM 845 N GLY A 71 -6.175 10.501 -10.321 1.00 0.00 N ATOM 846 CA GLY A 71 -7.215 9.902 -11.173 1.00 0.00 C ATOM 847 C GLY A 71 -6.830 8.565 -11.826 1.00 0.00 C ATOM 848 O GLY A 71 -7.559 8.078 -12.695 1.00 0.00 O ATOM 0 H GLY A 71 -6.419 10.503 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.112 9.751 -10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.473 10.612 -11.959 1.00 0.00 H new ATOM 852 N ALA A 72 -5.697 7.970 -11.435 1.00 0.00 N ATOM 853 CA ALA A 72 -5.278 6.641 -11.876 1.00 0.00 C ATOM 854 C ALA A 72 -6.198 5.533 -11.319 1.00 0.00 C ATOM 855 O ALA A 72 -6.991 5.756 -10.397 1.00 0.00 O ATOM 856 CB ALA A 72 -3.815 6.439 -11.463 1.00 0.00 C ATOM 0 H ALA A 72 -5.037 8.408 -10.793 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.361 6.571 -12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.480 5.452 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.195 7.202 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.729 6.519 -10.379 1.00 0.00 H new ATOM 862 N SER A 73 -6.091 4.321 -11.870 1.00 0.00 N ATOM 863 CA SER A 73 -6.820 3.155 -11.352 1.00 0.00 C ATOM 864 C SER A 73 -6.308 2.737 -9.970 1.00 0.00 C ATOM 865 O SER A 73 -5.119 2.861 -9.665 1.00 0.00 O ATOM 866 CB SER A 73 -6.708 1.980 -12.329 1.00 0.00 C ATOM 867 OG SER A 73 -7.490 0.887 -11.870 1.00 0.00 O ATOM 0 H SER A 73 -5.504 4.119 -12.679 1.00 0.00 H new ATOM 0 HA SER A 73 -7.867 3.440 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.044 2.287 -13.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.666 1.676 -12.426 1.00 0.00 H new ATOM 0 HG SER A 73 -7.413 0.142 -12.502 1.00 0.00 H new ATOM 872 N ALA A 74 -7.186 2.147 -9.158 1.00 0.00 N ATOM 873 CA ALA A 74 -6.807 1.469 -7.922 1.00 0.00 C ATOM 874 C ALA A 74 -5.734 0.406 -8.152 1.00 0.00 C ATOM 875 O ALA A 74 -4.792 0.319 -7.373 1.00 0.00 O ATOM 876 CB ALA A 74 -8.054 0.825 -7.334 1.00 0.00 C ATOM 0 H ALA A 74 -8.189 2.127 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.384 2.203 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.796 0.311 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.798 1.594 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.463 0.107 -8.045 1.00 0.00 H new ATOM 882 N SER A 75 -5.843 -0.356 -9.247 1.00 0.00 N ATOM 883 CA SER A 75 -4.830 -1.333 -9.652 1.00 0.00 C ATOM 884 C SER A 75 -3.484 -0.667 -9.954 1.00 0.00 C ATOM 885 O SER A 75 -2.454 -1.211 -9.579 1.00 0.00 O ATOM 886 CB SER A 75 -5.317 -2.134 -10.864 1.00 0.00 C ATOM 887 OG SER A 75 -4.410 -3.182 -11.160 1.00 0.00 O ATOM 0 H SER A 75 -6.642 -0.310 -9.879 1.00 0.00 H new ATOM 0 HA SER A 75 -4.676 -2.014 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.306 -2.546 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.416 -1.476 -11.727 1.00 0.00 H new ATOM 0 HG SER A 75 -4.734 -3.686 -11.935 1.00 0.00 H new ATOM 892 N ALA A 76 -3.457 0.535 -10.545 1.00 0.00 N ATOM 893 CA ALA A 76 -2.214 1.269 -10.786 1.00 0.00 C ATOM 894 C ALA A 76 -1.553 1.741 -9.479 1.00 0.00 C ATOM 895 O ALA A 76 -0.359 1.511 -9.294 1.00 0.00 O ATOM 896 CB ALA A 76 -2.481 2.440 -11.738 1.00 0.00 C ATOM 0 H ALA A 76 -4.294 1.022 -10.867 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.504 0.588 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.553 2.984 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.864 2.059 -12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.216 3.111 -11.293 1.00 0.00 H new ATOM 902 N TYR A 77 -2.308 2.330 -8.542 1.00 0.00 N ATOM 903 CA TYR A 77 -1.783 2.717 -7.224 1.00 0.00 C ATOM 904 C TYR A 77 -1.339 1.508 -6.393 1.00 0.00 C ATOM 905 O TYR A 77 -0.235 1.494 -5.852 1.00 0.00 O ATOM 906 CB TYR A 77 -2.849 3.476 -6.427 1.00 0.00 C ATOM 907 CG TYR A 77 -3.282 4.802 -7.009 1.00 0.00 C ATOM 908 CD1 TYR A 77 -2.346 5.840 -7.160 1.00 0.00 C ATOM 909 CD2 TYR A 77 -4.633 5.015 -7.341 1.00 0.00 C ATOM 910 CE1 TYR A 77 -2.764 7.101 -7.618 1.00 0.00 C ATOM 911 CE2 TYR A 77 -5.056 6.278 -7.793 1.00 0.00 C ATOM 912 CZ TYR A 77 -4.123 7.323 -7.927 1.00 0.00 C ATOM 913 OH TYR A 77 -4.527 8.530 -8.398 1.00 0.00 O ATOM 0 H TYR A 77 -3.295 2.551 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.916 3.350 -7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.728 2.838 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.469 3.649 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.306 5.668 -6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.345 4.208 -7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.046 7.899 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.095 6.445 -8.037 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.815 8.922 -8.946 1.00 0.00 H new ATOM 922 N ALA A 78 -2.181 0.478 -6.319 1.00 0.00 N ATOM 923 CA ALA A 78 -1.906 -0.758 -5.607 1.00 0.00 C ATOM 924 C ALA A 78 -0.718 -1.520 -6.201 1.00 0.00 C ATOM 925 O ALA A 78 0.124 -1.979 -5.440 1.00 0.00 O ATOM 926 CB ALA A 78 -3.159 -1.628 -5.629 1.00 0.00 C ATOM 0 H ALA A 78 -3.097 0.486 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.636 -0.508 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.965 -2.559 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.979 -1.098 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.430 -1.849 -6.661 1.00 0.00 H new ATOM 932 N ASN A 79 -0.599 -1.618 -7.529 1.00 0.00 N ATOM 933 CA ASN A 79 0.577 -2.182 -8.194 1.00 0.00 C ATOM 934 C ASN A 79 1.821 -1.328 -7.937 1.00 0.00 C ATOM 935 O ASN A 79 2.863 -1.888 -7.627 1.00 0.00 O ATOM 936 CB ASN A 79 0.326 -2.324 -9.702 1.00 0.00 C ATOM 937 CG ASN A 79 1.560 -2.813 -10.444 1.00 0.00 C ATOM 938 OD1 ASN A 79 1.875 -3.994 -10.482 1.00 0.00 O ATOM 939 ND2 ASN A 79 2.311 -1.917 -11.046 1.00 0.00 N ATOM 0 H ASN A 79 -1.323 -1.305 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 79 0.756 -3.172 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.496 -3.020 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.016 -1.362 -10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.153 -2.208 -11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.051 -0.931 -11.016 1.00 0.00 H new ATOM 945 N ALA A 80 1.732 0.003 -8.032 1.00 0.00 N ATOM 946 CA ALA A 80 2.859 0.890 -7.747 1.00 0.00 C ATOM 947 C ALA A 80 3.355 0.717 -6.303 1.00 0.00 C ATOM 948 O ALA A 80 4.555 0.578 -6.085 1.00 0.00 O ATOM 949 CB ALA A 80 2.461 2.339 -8.057 1.00 0.00 C ATOM 0 H ALA A 80 0.880 0.491 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 80 3.697 0.623 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.301 3.000 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.189 2.424 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.610 2.623 -7.438 1.00 0.00 H new ATOM 955 N ILE A 81 2.447 0.629 -5.325 1.00 0.00 N ATOM 956 CA ILE A 81 2.761 0.295 -3.928 1.00 0.00 C ATOM 957 C ILE A 81 3.307 -1.126 -3.796 1.00 0.00 C ATOM 958 O ILE A 81 4.330 -1.317 -3.156 1.00 0.00 O ATOM 959 CB ILE A 81 1.509 0.505 -3.051 1.00 0.00 C ATOM 960 CG1 ILE A 81 1.299 2.019 -2.848 1.00 0.00 C ATOM 961 CG2 ILE A 81 1.597 -0.202 -1.687 1.00 0.00 C ATOM 962 CD1 ILE A 81 -0.065 2.362 -2.248 1.00 0.00 C ATOM 0 H ILE A 81 1.453 0.791 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 81 3.548 0.963 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 81 0.662 0.058 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.083 2.404 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.405 2.526 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.685 -0.014 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.714 -1.275 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.454 0.181 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.150 3.442 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.854 2.006 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.165 1.882 -1.274 1.00 0.00 H new ATOM 973 N ALA A 82 2.670 -2.128 -4.395 1.00 0.00 N ATOM 974 CA ALA A 82 3.075 -3.530 -4.304 1.00 0.00 C ATOM 975 C ALA A 82 4.433 -3.806 -4.969 1.00 0.00 C ATOM 976 O ALA A 82 5.179 -4.665 -4.503 1.00 0.00 O ATOM 977 CB ALA A 82 1.974 -4.385 -4.930 1.00 0.00 C ATOM 0 H ALA A 82 1.840 -1.986 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 82 3.207 -3.785 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.254 -5.437 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.040 -4.229 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.841 -4.100 -5.974 1.00 0.00 H new ATOM 983 N ARG A 83 4.781 -3.060 -6.022 1.00 0.00 N ATOM 984 CA ARG A 83 6.100 -3.055 -6.672 1.00 0.00 C ATOM 985 C ARG A 83 7.108 -2.197 -5.921 1.00 0.00 C ATOM 986 O ARG A 83 8.256 -2.605 -5.838 1.00 0.00 O ATOM 987 CB ARG A 83 5.967 -2.568 -8.127 1.00 0.00 C ATOM 988 CG ARG A 83 5.341 -3.641 -9.032 1.00 0.00 C ATOM 989 CD ARG A 83 6.393 -4.622 -9.582 1.00 0.00 C ATOM 990 NE ARG A 83 6.905 -4.192 -10.901 1.00 0.00 N ATOM 991 CZ ARG A 83 6.295 -4.334 -12.067 1.00 0.00 C ATOM 992 NH1 ARG A 83 5.118 -4.887 -12.171 1.00 0.00 N ATOM 993 NH2 ARG A 83 6.849 -3.908 -13.165 1.00 0.00 N ATOM 0 H ARG A 83 4.126 -2.416 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 83 6.475 -4.078 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.355 -1.667 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.950 -2.297 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.589 -4.195 -8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.827 -3.158 -9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.221 -4.700 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.954 -5.616 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 83 7.820 -3.741 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.638 -5.226 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.677 -4.980 -13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.764 -3.458 -13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.368 -4.024 -14.057 1.00 0.00 H new ATOM 1004 N ALA A 84 6.727 -1.061 -5.340 1.00 0.00 N ATOM 1005 CA ALA A 84 7.634 -0.261 -4.513 1.00 0.00 C ATOM 1006 C ALA A 84 7.971 -0.980 -3.200 1.00 0.00 C ATOM 1007 O ALA A 84 9.142 -1.222 -2.930 1.00 0.00 O ATOM 1008 CB ALA A 84 7.026 1.125 -4.283 1.00 0.00 C ATOM 0 H ALA A 84 5.789 -0.670 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 84 8.581 -0.131 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.700 1.721 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.877 1.621 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.067 1.022 -3.775 1.00 0.00 H new ATOM 1014 N ALA A 85 6.967 -1.417 -2.435 1.00 0.00 N ATOM 1015 CA ALA A 85 7.128 -2.296 -1.278 1.00 0.00 C ATOM 1016 C ALA A 85 7.804 -3.618 -1.663 1.00 0.00 C ATOM 1017 O ALA A 85 8.730 -4.041 -0.984 1.00 0.00 O ATOM 1018 CB ALA A 85 5.761 -2.576 -0.638 1.00 0.00 C ATOM 0 H ALA A 85 5.995 -1.161 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 85 7.771 -1.787 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.890 -3.232 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.311 -1.637 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.110 -3.058 -1.367 1.00 0.00 H new ATOM 1024 N GLY A 86 7.397 -4.250 -2.767 1.00 0.00 N ATOM 1025 CA GLY A 86 7.983 -5.507 -3.237 1.00 0.00 C ATOM 1026 C GLY A 86 9.461 -5.379 -3.585 1.00 0.00 C ATOM 1027 O GLY A 86 10.268 -6.134 -3.053 1.00 0.00 O ATOM 0 H GLY A 86 6.647 -3.901 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.861 -6.269 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.437 -5.851 -4.115 1.00 0.00 H new ATOM 1031 N GLN A 87 9.847 -4.391 -4.399 1.00 0.00 N ATOM 1032 CA GLN A 87 11.254 -4.108 -4.698 1.00 0.00 C ATOM 1033 C GLN A 87 12.034 -3.687 -3.444 1.00 0.00 C ATOM 1034 O GLN A 87 13.143 -4.175 -3.249 1.00 0.00 O ATOM 1035 CB GLN A 87 11.400 -3.045 -5.801 1.00 0.00 C ATOM 1036 CG GLN A 87 11.021 -3.569 -7.199 1.00 0.00 C ATOM 1037 CD GLN A 87 11.487 -2.621 -8.304 1.00 0.00 C ATOM 1038 OE1 GLN A 87 12.623 -2.668 -8.761 1.00 0.00 O ATOM 1039 NE2 GLN A 87 10.647 -1.726 -8.787 1.00 0.00 N ATOM 0 H GLN A 87 9.193 -3.765 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 87 11.685 -5.040 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.771 -2.189 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.430 -2.689 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.466 -4.552 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.940 -3.695 -7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.696 -1.669 -8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.948 -1.091 -9.526 1.00 0.00 H new ATOM 1046 N PHE A 88 11.477 -2.843 -2.565 1.00 0.00 N ATOM 1047 CA PHE A 88 12.144 -2.425 -1.324 1.00 0.00 C ATOM 1048 C PHE A 88 12.380 -3.623 -0.390 1.00 0.00 C ATOM 1049 O PHE A 88 13.505 -3.877 0.030 1.00 0.00 O ATOM 1050 CB PHE A 88 11.334 -1.301 -0.646 1.00 0.00 C ATOM 1051 CG PHE A 88 12.093 -0.432 0.347 1.00 0.00 C ATOM 1052 CD1 PHE A 88 12.641 -0.979 1.524 1.00 0.00 C ATOM 1053 CD2 PHE A 88 12.228 0.952 0.103 1.00 0.00 C ATOM 1054 CE1 PHE A 88 13.352 -0.160 2.423 1.00 0.00 C ATOM 1055 CE2 PHE A 88 12.915 1.774 1.015 1.00 0.00 C ATOM 1056 CZ PHE A 88 13.485 1.216 2.172 1.00 0.00 C ATOM 0 H PHE A 88 10.553 -2.431 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 88 13.129 -2.025 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.925 -0.656 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.487 -1.753 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.516 -2.030 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.801 1.383 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.796 -0.591 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.004 2.834 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.024 1.843 2.867 1.00 0.00 H new ATOM 1065 N LEU A 89 11.351 -4.417 -0.087 1.00 0.00 N ATOM 1066 CA LEU A 89 11.479 -5.604 0.764 1.00 0.00 C ATOM 1067 C LEU A 89 12.315 -6.718 0.104 1.00 0.00 C ATOM 1068 O LEU A 89 12.975 -7.473 0.819 1.00 0.00 O ATOM 1069 CB LEU A 89 10.085 -6.086 1.217 1.00 0.00 C ATOM 1070 CG LEU A 89 9.288 -5.079 2.083 1.00 0.00 C ATOM 1071 CD1 LEU A 89 8.047 -5.766 2.650 1.00 0.00 C ATOM 1072 CD2 LEU A 89 10.079 -4.486 3.253 1.00 0.00 C ATOM 0 H LEU A 89 10.402 -4.255 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 89 12.038 -5.323 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.496 -6.325 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.204 -7.011 1.781 1.00 0.00 H new ATOM 0 HG LEU A 89 9.035 -4.254 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.486 -5.058 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.419 -6.117 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.349 -6.614 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.446 -3.792 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.404 -5.288 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.951 -3.956 2.871 1.00 0.00 H new ATOM 1083 N ALA A 90 12.369 -6.795 -1.232 1.00 0.00 N ATOM 1084 CA ALA A 90 13.306 -7.651 -1.961 1.00 0.00 C ATOM 1085 C ALA A 90 14.768 -7.197 -1.802 1.00 0.00 C ATOM 1086 O ALA A 90 15.624 -8.021 -1.479 1.00 0.00 O ATOM 1087 CB ALA A 90 12.914 -7.708 -3.443 1.00 0.00 C ATOM 0 H ALA A 90 11.754 -6.257 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 90 13.242 -8.650 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.615 -8.347 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.907 -8.114 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.941 -6.704 -3.865 1.00 0.00 H new ATOM 1093 N THR A 91 15.074 -5.903 -1.971 1.00 0.00 N ATOM 1094 CA THR A 91 16.439 -5.372 -1.785 1.00 0.00 C ATOM 1095 C THR A 91 16.891 -5.391 -0.320 1.00 0.00 C ATOM 1096 O THR A 91 18.078 -5.587 -0.054 1.00 0.00 O ATOM 1097 CB THR A 91 16.618 -3.961 -2.372 1.00 0.00 C ATOM 1098 OG1 THR A 91 15.698 -3.046 -1.825 1.00 0.00 O ATOM 1099 CG2 THR A 91 16.468 -3.943 -3.897 1.00 0.00 C ATOM 0 H THR A 91 14.390 -5.196 -2.239 1.00 0.00 H new ATOM 0 HA THR A 91 17.080 -6.053 -2.345 1.00 0.00 H new ATOM 0 HB THR A 91 17.633 -3.662 -2.109 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.066 -3.523 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.603 -2.925 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.220 -4.593 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.474 -4.298 -4.169 1.00 0.00 H new ATOM 1107 N GLN A 92 15.964 -5.286 0.642 1.00 0.00 N ATOM 1108 CA GLN A 92 16.227 -5.544 2.067 1.00 0.00 C ATOM 1109 C GLN A 92 16.344 -7.042 2.425 1.00 0.00 C ATOM 1110 O GLN A 92 16.730 -7.371 3.548 1.00 0.00 O ATOM 1111 CB GLN A 92 15.139 -4.887 2.944 1.00 0.00 C ATOM 1112 CG GLN A 92 15.096 -3.351 2.885 1.00 0.00 C ATOM 1113 CD GLN A 92 16.463 -2.690 3.035 1.00 0.00 C ATOM 1114 OE1 GLN A 92 17.107 -2.748 4.075 1.00 0.00 O ATOM 1115 NE2 GLN A 92 16.965 -2.052 1.998 1.00 0.00 N ATOM 0 H GLN A 92 14.999 -5.016 0.452 1.00 0.00 H new ATOM 0 HA GLN A 92 17.201 -5.099 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.166 -5.275 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.295 -5.192 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.657 -3.045 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.437 -2.985 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.436 -1.998 1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.883 -1.612 2.065 1.00 0.00 H new ATOM 1122 N GLY A 93 16.005 -7.963 1.512 1.00 0.00 N ATOM 1123 CA GLY A 93 15.963 -9.409 1.774 1.00 0.00 C ATOM 1124 C GLY A 93 14.943 -9.830 2.847 1.00 0.00 C ATOM 1125 O GLY A 93 15.097 -10.883 3.469 1.00 0.00 O ATOM 0 H GLY A 93 15.748 -7.720 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.730 -9.928 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.955 -9.739 2.083 1.00 0.00 H new ATOM 1129 N VAL A 94 13.917 -9.005 3.092 1.00 0.00 N ATOM 1130 CA VAL A 94 12.786 -9.311 3.992 1.00 0.00 C ATOM 1131 C VAL A 94 11.928 -10.448 3.428 1.00 0.00 C ATOM 1132 O VAL A 94 11.478 -11.316 4.180 1.00 0.00 O ATOM 1133 CB VAL A 94 11.956 -8.031 4.237 1.00 0.00 C ATOM 1134 CG1 VAL A 94 10.504 -8.277 4.668 1.00 0.00 C ATOM 1135 CG2 VAL A 94 12.639 -7.188 5.319 1.00 0.00 C ATOM 0 H VAL A 94 13.844 -8.083 2.662 1.00 0.00 H new ATOM 0 HA VAL A 94 13.174 -9.655 4.951 1.00 0.00 H new ATOM 0 HB VAL A 94 11.913 -7.521 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.002 -7.321 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.986 -8.843 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.492 -8.842 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.058 -6.283 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.704 -7.764 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.642 -6.916 4.989 1.00 0.00 H new ATOM 1145 N LEU A 95 11.754 -10.480 2.103 1.00 0.00 N ATOM 1146 CA LEU A 95 11.141 -11.593 1.371 1.00 0.00 C ATOM 1147 C LEU A 95 12.206 -12.562 0.821 1.00 0.00 C ATOM 1148 O LEU A 95 13.358 -12.182 0.602 1.00 0.00 O ATOM 1149 CB LEU A 95 10.170 -11.032 0.310 1.00 0.00 C ATOM 1150 CG LEU A 95 10.756 -10.112 -0.783 1.00 0.00 C ATOM 1151 CD1 LEU A 95 11.500 -10.869 -1.889 1.00 0.00 C ATOM 1152 CD2 LEU A 95 9.619 -9.351 -1.456 1.00 0.00 C ATOM 0 H LEU A 95 12.043 -9.714 1.495 1.00 0.00 H new ATOM 0 HA LEU A 95 10.545 -12.206 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.689 -11.876 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.388 -10.479 0.830 1.00 0.00 H new ATOM 0 HG LEU A 95 11.466 -9.457 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.884 -10.159 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.330 -11.426 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.816 -11.561 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.025 -8.699 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.924 -10.059 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.094 -8.750 -0.714 1.00 0.00 H new ATOM 1163 N ASN A 96 11.814 -13.820 0.595 1.00 0.00 N ATOM 1164 CA ASN A 96 12.658 -14.903 0.063 1.00 0.00 C ATOM 1165 C ASN A 96 11.777 -15.862 -0.755 1.00 0.00 C ATOM 1166 O ASN A 96 10.605 -16.021 -0.418 1.00 0.00 O ATOM 1167 CB ASN A 96 13.310 -15.710 1.212 1.00 0.00 C ATOM 1168 CG ASN A 96 13.831 -14.894 2.386 1.00 0.00 C ATOM 1169 OD1 ASN A 96 14.950 -14.401 2.390 1.00 0.00 O ATOM 1170 ND2 ASN A 96 13.045 -14.766 3.434 1.00 0.00 N ATOM 0 H ASN A 96 10.860 -14.128 0.785 1.00 0.00 H new ATOM 0 HA ASN A 96 13.440 -14.461 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.579 -16.425 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.138 -16.287 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.368 -14.254 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.112 -15.179 3.426 1.00 0.00 H new ATOM 1176 N ALA A 97 12.317 -16.570 -1.753 1.00 0.00 N ATOM 1177 CA ALA A 97 11.563 -17.507 -2.610 1.00 0.00 C ATOM 1178 C ALA A 97 10.735 -18.580 -1.858 1.00 0.00 C ATOM 1179 O ALA A 97 9.769 -19.113 -2.407 1.00 0.00 O ATOM 1180 CB ALA A 97 12.544 -18.164 -3.586 1.00 0.00 C ATOM 0 H ALA A 97 13.306 -16.511 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 97 10.812 -16.914 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.006 -18.861 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.017 -17.396 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.308 -18.703 -3.026 1.00 0.00 H new ATOM 1186 N VAL A 98 11.073 -18.844 -0.591 1.00 0.00 N ATOM 1187 CA VAL A 98 10.291 -19.609 0.402 1.00 0.00 C ATOM 1188 C VAL A 98 8.796 -19.251 0.379 1.00 0.00 C ATOM 1189 O VAL A 98 7.943 -20.139 0.345 1.00 0.00 O ATOM 1190 CB VAL A 98 10.856 -19.335 1.815 1.00 0.00 C ATOM 1191 CG1 VAL A 98 10.117 -20.101 2.919 1.00 0.00 C ATOM 1192 CG2 VAL A 98 12.345 -19.699 1.925 1.00 0.00 C ATOM 0 H VAL A 98 11.955 -18.511 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 98 10.379 -20.664 0.144 1.00 0.00 H new ATOM 0 HB VAL A 98 10.713 -18.264 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.562 -19.865 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.066 -19.811 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.197 -21.172 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.697 -19.489 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 98 12.478 -20.759 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 98 12.918 -19.107 1.211 1.00 0.00 H new ATOM 1202 N ASN A 99 8.483 -17.950 0.397 1.00 0.00 N ATOM 1203 CA ASN A 99 7.117 -17.408 0.446 1.00 0.00 C ATOM 1204 C ASN A 99 7.023 -15.938 -0.019 1.00 0.00 C ATOM 1205 O ASN A 99 6.114 -15.229 0.395 1.00 0.00 O ATOM 1206 CB ASN A 99 6.494 -17.645 1.850 1.00 0.00 C ATOM 1207 CG ASN A 99 7.365 -17.323 3.057 1.00 0.00 C ATOM 1208 OD1 ASN A 99 7.364 -18.038 4.048 1.00 0.00 O ATOM 1209 ND2 ASN A 99 8.136 -16.259 3.050 1.00 0.00 N ATOM 0 H ASN A 99 9.196 -17.221 0.377 1.00 0.00 H new ATOM 0 HA ASN A 99 6.520 -17.958 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.583 -17.050 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.197 -18.692 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.717 -16.045 3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.154 -15.647 2.234 1.00 0.00 H new ATOM 1215 N ALA A 100 7.950 -15.443 -0.846 1.00 0.00 N ATOM 1216 CA ALA A 100 7.956 -14.061 -1.343 1.00 0.00 C ATOM 1217 C ALA A 100 6.629 -13.662 -1.994 1.00 0.00 C ATOM 1218 O ALA A 100 6.148 -12.556 -1.766 1.00 0.00 O ATOM 1219 CB ALA A 100 9.107 -13.872 -2.339 1.00 0.00 C ATOM 0 H ALA A 100 8.730 -16.000 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 100 8.097 -13.409 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.107 -12.845 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.055 -14.081 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.978 -14.556 -3.178 1.00 0.00 H new ATOM 1225 N SER A 101 6.005 -14.571 -2.752 1.00 0.00 N ATOM 1226 CA SER A 101 4.653 -14.345 -3.261 1.00 0.00 C ATOM 1227 C SER A 101 3.648 -14.234 -2.106 1.00 0.00 C ATOM 1228 O SER A 101 3.070 -13.172 -1.909 1.00 0.00 O ATOM 1229 CB SER A 101 4.269 -15.382 -4.327 1.00 0.00 C ATOM 1230 OG SER A 101 3.814 -16.606 -3.781 1.00 0.00 O ATOM 0 H SER A 101 6.415 -15.465 -3.024 1.00 0.00 H new ATOM 0 HA SER A 101 4.628 -13.385 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.490 -14.965 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.133 -15.575 -4.963 1.00 0.00 H new ATOM 0 HG SER A 101 3.584 -17.223 -4.507 1.00 0.00 H new ATOM 1235 N SER A 102 3.523 -15.254 -1.256 1.00 0.00 N ATOM 1236 CA SER A 102 2.594 -15.282 -0.116 1.00 0.00 C ATOM 1237 C SER A 102 2.725 -14.091 0.856 1.00 0.00 C ATOM 1238 O SER A 102 1.715 -13.566 1.330 1.00 0.00 O ATOM 1239 CB SER A 102 2.756 -16.613 0.633 1.00 0.00 C ATOM 1240 OG SER A 102 1.607 -17.423 0.434 1.00 0.00 O ATOM 0 H SER A 102 4.077 -16.106 -1.340 1.00 0.00 H new ATOM 0 HA SER A 102 1.592 -15.190 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.645 -17.134 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.900 -16.426 1.697 1.00 0.00 H new ATOM 0 HG SER A 102 1.718 -18.271 0.913 1.00 0.00 H new ATOM 1245 N LEU A 103 3.943 -13.601 1.116 1.00 0.00 N ATOM 1246 CA LEU A 103 4.192 -12.397 1.922 1.00 0.00 C ATOM 1247 C LEU A 103 3.717 -11.098 1.253 1.00 0.00 C ATOM 1248 O LEU A 103 3.413 -10.131 1.953 1.00 0.00 O ATOM 1249 CB LEU A 103 5.685 -12.281 2.267 1.00 0.00 C ATOM 1250 CG LEU A 103 6.214 -13.316 3.274 1.00 0.00 C ATOM 1251 CD1 LEU A 103 7.683 -12.999 3.561 1.00 0.00 C ATOM 1252 CD2 LEU A 103 5.454 -13.314 4.603 1.00 0.00 C ATOM 0 H LEU A 103 4.797 -14.036 0.767 1.00 0.00 H new ATOM 0 HA LEU A 103 3.602 -12.519 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.261 -12.369 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.872 -11.284 2.666 1.00 0.00 H new ATOM 0 HG LEU A 103 6.080 -14.301 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.079 -13.722 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.255 -13.053 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.764 -11.996 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.879 -14.067 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.538 -12.332 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.403 -13.541 4.422 1.00 0.00 H new ATOM 1263 N GLY A 104 3.587 -11.078 -0.075 1.00 0.00 N ATOM 1264 CA GLY A 104 2.900 -10.016 -0.805 1.00 0.00 C ATOM 1265 C GLY A 104 1.453 -9.851 -0.341 1.00 0.00 C ATOM 1266 O GLY A 104 1.037 -8.744 -0.006 1.00 0.00 O ATOM 0 H GLY A 104 3.961 -11.809 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.435 -9.076 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.916 -10.239 -1.872 1.00 0.00 H new ATOM 1270 N SER A 105 0.711 -10.957 -0.215 1.00 0.00 N ATOM 1271 CA SER A 105 -0.618 -10.956 0.416 1.00 0.00 C ATOM 1272 C SER A 105 -0.570 -10.550 1.894 1.00 0.00 C ATOM 1273 O SER A 105 -1.456 -9.827 2.343 1.00 0.00 O ATOM 1274 CB SER A 105 -1.316 -12.316 0.280 1.00 0.00 C ATOM 1275 OG SER A 105 -2.138 -12.322 -0.873 1.00 0.00 O ATOM 0 H SER A 105 1.011 -11.874 -0.545 1.00 0.00 H new ATOM 0 HA SER A 105 -1.197 -10.206 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.573 -13.111 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.917 -12.517 1.167 1.00 0.00 H new ATOM 0 HG SER A 105 -1.829 -11.634 -1.499 1.00 0.00 H new ATOM 1280 N ALA A 106 0.454 -10.948 2.659 1.00 0.00 N ATOM 1281 CA ALA A 106 0.584 -10.559 4.068 1.00 0.00 C ATOM 1282 C ALA A 106 0.750 -9.032 4.258 1.00 0.00 C ATOM 1283 O ALA A 106 0.029 -8.431 5.057 1.00 0.00 O ATOM 1284 CB ALA A 106 1.730 -11.351 4.710 1.00 0.00 C ATOM 0 H ALA A 106 1.210 -11.544 2.322 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.347 -10.808 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.829 -11.064 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.516 -12.418 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.660 -11.135 4.185 1.00 0.00 H new ATOM 1290 N LEU A 107 1.633 -8.379 3.488 1.00 0.00 N ATOM 1291 CA LEU A 107 1.745 -6.910 3.460 1.00 0.00 C ATOM 1292 C LEU A 107 0.490 -6.252 2.871 1.00 0.00 C ATOM 1293 O LEU A 107 0.031 -5.239 3.396 1.00 0.00 O ATOM 1294 CB LEU A 107 3.025 -6.488 2.708 1.00 0.00 C ATOM 1295 CG LEU A 107 3.092 -4.972 2.379 1.00 0.00 C ATOM 1296 CD1 LEU A 107 4.502 -4.405 2.518 1.00 0.00 C ATOM 1297 CD2 LEU A 107 2.608 -4.682 0.951 1.00 0.00 C ATOM 0 H LEU A 107 2.290 -8.852 2.867 1.00 0.00 H new ATOM 0 HA LEU A 107 1.823 -6.555 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.893 -6.758 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.092 -7.054 1.779 1.00 0.00 H new ATOM 0 HG LEU A 107 2.437 -4.490 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.492 -3.342 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.850 -4.541 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.173 -4.926 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.669 -3.611 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.236 -5.217 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.575 -5.012 0.843 1.00 0.00 H new ATOM 1308 N ALA A 108 -0.091 -6.808 1.808 1.00 0.00 N ATOM 1309 CA ALA A 108 -1.313 -6.262 1.230 1.00 0.00 C ATOM 1310 C ALA A 108 -2.489 -6.309 2.209 1.00 0.00 C ATOM 1311 O ALA A 108 -3.269 -5.366 2.243 1.00 0.00 O ATOM 1312 CB ALA A 108 -1.639 -6.989 -0.066 1.00 0.00 C ATOM 0 H ALA A 108 0.267 -7.636 1.332 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.141 -5.208 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.553 -6.577 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.818 -6.861 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.780 -8.050 0.138 1.00 0.00 H new ATOM 1318 N ASN A 109 -2.585 -7.334 3.060 1.00 0.00 N ATOM 1319 CA ASN A 109 -3.542 -7.376 4.165 1.00 0.00 C ATOM 1320 C ASN A 109 -3.235 -6.306 5.231 1.00 0.00 C ATOM 1321 O ASN A 109 -4.166 -5.684 5.736 1.00 0.00 O ATOM 1322 CB ASN A 109 -3.581 -8.790 4.772 1.00 0.00 C ATOM 1323 CG ASN A 109 -4.168 -9.852 3.851 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -4.787 -9.585 2.827 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -4.015 -11.109 4.204 1.00 0.00 N ATOM 0 H ASN A 109 -1.995 -8.164 3.000 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.531 -7.142 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.567 -9.083 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.164 -8.762 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.410 -11.852 3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.502 -11.341 5.054 1.00 0.00 H new ATOM 1331 N ALA A 110 -1.960 -6.028 5.537 1.00 0.00 N ATOM 1332 CA ALA A 110 -1.566 -4.954 6.457 1.00 0.00 C ATOM 1333 C ALA A 110 -1.944 -3.553 5.929 1.00 0.00 C ATOM 1334 O ALA A 110 -2.550 -2.757 6.651 1.00 0.00 O ATOM 1335 CB ALA A 110 -0.060 -5.055 6.743 1.00 0.00 C ATOM 0 H ALA A 110 -1.170 -6.545 5.151 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.121 -5.085 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.235 -4.258 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.160 -6.022 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.495 -4.957 5.810 1.00 0.00 H new ATOM 1341 N LEU A 111 -1.648 -3.257 4.657 1.00 0.00 N ATOM 1342 CA LEU A 111 -2.101 -2.026 3.998 1.00 0.00 C ATOM 1343 C LEU A 111 -3.620 -2.000 3.803 1.00 0.00 C ATOM 1344 O LEU A 111 -4.220 -0.935 3.920 1.00 0.00 O ATOM 1345 CB LEU A 111 -1.384 -1.843 2.652 1.00 0.00 C ATOM 1346 CG LEU A 111 0.120 -1.524 2.764 1.00 0.00 C ATOM 1347 CD1 LEU A 111 0.688 -1.384 1.359 1.00 0.00 C ATOM 1348 CD2 LEU A 111 0.396 -0.194 3.473 1.00 0.00 C ATOM 0 H LEU A 111 -1.089 -3.863 4.057 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.845 -1.194 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.506 -2.752 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.872 -1.039 2.101 1.00 0.00 H new ATOM 0 HG LEU A 111 0.574 -2.333 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.753 -1.158 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.545 -2.317 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.174 -0.577 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.472 -0.024 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.075 0.618 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.012 -0.229 4.483 1.00 0.00 H new ATOM 1359 N SER A 112 -4.255 -3.152 3.573 1.00 0.00 N ATOM 1360 CA SER A 112 -5.712 -3.264 3.496 1.00 0.00 C ATOM 1361 C SER A 112 -6.375 -2.922 4.825 1.00 0.00 C ATOM 1362 O SER A 112 -7.264 -2.083 4.833 1.00 0.00 O ATOM 1363 CB SER A 112 -6.164 -4.633 2.975 1.00 0.00 C ATOM 1364 OG SER A 112 -7.561 -4.630 2.736 1.00 0.00 O ATOM 0 H SER A 112 -3.769 -4.038 3.434 1.00 0.00 H new ATOM 0 HA SER A 112 -6.044 -2.525 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.631 -4.874 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.914 -5.407 3.701 1.00 0.00 H new ATOM 0 HG SER A 112 -7.838 -5.509 2.402 1.00 0.00 H new ATOM 1369 N ASP A 113 -5.890 -3.438 5.958 1.00 0.00 N ATOM 1370 CA ASP A 113 -6.337 -3.022 7.295 1.00 0.00 C ATOM 1371 C ASP A 113 -6.130 -1.522 7.555 1.00 0.00 C ATOM 1372 O ASP A 113 -6.934 -0.902 8.252 1.00 0.00 O ATOM 1373 CB ASP A 113 -5.604 -3.830 8.381 1.00 0.00 C ATOM 1374 CG ASP A 113 -6.321 -5.141 8.746 1.00 0.00 C ATOM 1375 OD1 ASP A 113 -7.529 -5.103 9.071 1.00 0.00 O ATOM 1376 OD2 ASP A 113 -5.663 -6.214 8.772 1.00 0.00 O ATOM 0 H ASP A 113 -5.171 -4.161 5.976 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.408 -3.219 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.595 -4.058 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.504 -3.216 9.276 1.00 0.00 H new ATOM 1380 N SER A 114 -5.073 -0.926 7.000 1.00 0.00 N ATOM 1381 CA SER A 114 -4.710 0.484 7.202 1.00 0.00 C ATOM 1382 C SER A 114 -5.553 1.455 6.358 1.00 0.00 C ATOM 1383 O SER A 114 -6.065 2.453 6.869 1.00 0.00 O ATOM 1384 CB SER A 114 -3.222 0.638 6.891 1.00 0.00 C ATOM 1385 OG SER A 114 -2.747 1.850 7.423 1.00 0.00 O ATOM 0 H SER A 114 -4.428 -1.419 6.382 1.00 0.00 H new ATOM 0 HA SER A 114 -4.918 0.749 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 114 -2.665 -0.198 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.062 0.616 5.813 1.00 0.00 H new ATOM 0 HG SER A 114 -2.878 1.855 8.394 1.00 0.00 H new ATOM 1390 N ALA A 115 -5.793 1.131 5.085 1.00 0.00 N ATOM 1391 CA ALA A 115 -6.759 1.823 4.233 1.00 0.00 C ATOM 1392 C ALA A 115 -8.201 1.606 4.725 1.00 0.00 C ATOM 1393 O ALA A 115 -8.960 2.568 4.854 1.00 0.00 O ATOM 1394 CB ALA A 115 -6.582 1.312 2.803 1.00 0.00 C ATOM 0 H ALA A 115 -5.312 0.367 4.611 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.577 2.897 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.293 1.814 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.567 1.520 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.760 0.237 2.776 1.00 0.00 H new ATOM 1400 N ALA A 116 -8.562 0.365 5.077 1.00 0.00 N ATOM 1401 CA ALA A 116 -9.838 0.023 5.701 1.00 0.00 C ATOM 1402 C ALA A 116 -10.051 0.739 7.042 1.00 0.00 C ATOM 1403 O ALA A 116 -11.194 0.992 7.392 1.00 0.00 O ATOM 1404 CB ALA A 116 -9.980 -1.494 5.869 1.00 0.00 C ATOM 0 H ALA A 116 -7.958 -0.444 4.931 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.618 0.374 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.939 -1.720 6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.930 -1.975 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.173 -1.867 6.499 1.00 0.00 H new ATOM 1410 N ASN A 117 -8.992 1.105 7.775 1.00 0.00 N ATOM 1411 CA ASN A 117 -9.087 1.867 9.025 1.00 0.00 C ATOM 1412 C ASN A 117 -9.660 3.272 8.796 1.00 0.00 C ATOM 1413 O ASN A 117 -10.674 3.626 9.397 1.00 0.00 O ATOM 1414 CB ASN A 117 -7.708 1.946 9.712 1.00 0.00 C ATOM 1415 CG ASN A 117 -7.693 1.184 11.021 1.00 0.00 C ATOM 1416 OD1 ASN A 117 -7.834 1.742 12.099 1.00 0.00 O ATOM 1417 ND2 ASN A 117 -7.546 -0.119 10.958 1.00 0.00 N ATOM 0 H ASN A 117 -8.033 0.877 7.513 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.778 1.339 9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -6.945 1.542 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -7.451 2.989 9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.549 -0.675 11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.429 -0.576 10.054 1.00 0.00 H new ATOM 1423 N SER A 118 -9.050 4.055 7.897 1.00 0.00 N ATOM 1424 CA SER A 118 -9.595 5.364 7.512 1.00 0.00 C ATOM 1425 C SER A 118 -10.950 5.205 6.810 1.00 0.00 C ATOM 1426 O SER A 118 -11.900 5.911 7.143 1.00 0.00 O ATOM 1427 CB SER A 118 -8.592 6.139 6.651 1.00 0.00 C ATOM 1428 OG SER A 118 -9.065 7.454 6.406 1.00 0.00 O ATOM 0 H SER A 118 -8.181 3.806 7.424 1.00 0.00 H new ATOM 0 HA SER A 118 -9.765 5.948 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.626 6.181 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.436 5.619 5.706 1.00 0.00 H new ATOM 0 HG SER A 118 -8.414 7.939 5.856 1.00 0.00 H new