USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0013) USER MOD Set 1.2: A 88 HIS :FLIP no HE2:sc= -0.841 F(o=-0.51!,f=0.13) USER MOD Set 1.3: A 92 SER OG : rot 169:sc= 0.971 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=0.000388 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -5.17! C(o=-5.8!,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 59:sc= 0.237 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 30:sc= 0.202 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 71:sc= 0.0246 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00032) USER MOD Single : A 63 ASN : amide:sc= -0.321 K(o=-0.32,f=-5.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 80:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.25 USER MOD Single : A 70 TYR OH : rot -131:sc= -0.464 USER MOD Single : A 73 GLN : amide:sc= -0.839 K(o=-0.84,f=-1.9!) USER MOD Single : A 77 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.8!) USER MOD Single : A 78 TYR OH : rot -3:sc= 0.801 USER MOD Single : A 81 SER OG : rot 140:sc= 0.0136 USER MOD Single : A 85 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.6!) USER MOD Single : A 94 TYR OH : rot 43:sc= -1.62 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.155 31.405 -9.004 1.00 0.00 N ATOM 2 CA GLY A 1 -12.109 32.403 -8.880 1.00 0.00 C ATOM 3 C GLY A 1 -11.602 32.538 -7.458 1.00 0.00 C ATOM 4 O GLY A 1 -11.600 33.631 -6.893 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.468 31.351 -9.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.788 30.479 -8.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.960 31.669 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.279 32.138 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.488 33.367 -9.220 1.00 0.00 H new ATOM 8 N SER A 2 -11.172 31.422 -6.877 1.00 0.00 N ATOM 9 CA SER A 2 -10.664 31.419 -5.510 1.00 0.00 C ATOM 10 C SER A 2 -9.143 31.320 -5.494 1.00 0.00 C ATOM 11 O SER A 2 -8.581 30.226 -5.528 1.00 0.00 O ATOM 12 CB SER A 2 -11.271 30.256 -4.721 1.00 0.00 C ATOM 13 OG SER A 2 -12.684 30.253 -4.823 1.00 0.00 O ATOM 0 H SER A 2 -11.165 30.509 -7.332 1.00 0.00 H new ATOM 0 HA SER A 2 -10.953 32.359 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.874 29.312 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.979 30.331 -3.674 1.00 0.00 H new ATOM 0 HG SER A 2 -13.047 29.500 -4.312 1.00 0.00 H new ATOM 19 N SER A 3 -8.481 32.473 -5.444 1.00 0.00 N ATOM 20 CA SER A 3 -7.024 32.517 -5.429 1.00 0.00 C ATOM 21 C SER A 3 -6.509 33.006 -4.079 1.00 0.00 C ATOM 22 O SER A 3 -6.942 34.042 -3.575 1.00 0.00 O ATOM 23 CB SER A 3 -6.510 33.429 -6.544 1.00 0.00 C ATOM 24 OG SER A 3 -6.506 32.758 -7.792 1.00 0.00 O ATOM 0 H SER A 3 -8.931 33.388 -5.413 1.00 0.00 H new ATOM 0 HA SER A 3 -6.652 31.506 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.137 34.319 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.501 33.766 -6.306 1.00 0.00 H new ATOM 0 HG SER A 3 -6.175 33.363 -8.488 1.00 0.00 H new ATOM 30 N GLY A 4 -5.582 32.252 -3.497 1.00 0.00 N ATOM 31 CA GLY A 4 -5.024 32.623 -2.210 1.00 0.00 C ATOM 32 C GLY A 4 -5.252 31.562 -1.151 1.00 0.00 C ATOM 33 O GLY A 4 -5.639 31.873 -0.025 1.00 0.00 O ATOM 0 H GLY A 4 -5.207 31.390 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.954 32.799 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.470 33.562 -1.881 1.00 0.00 H new ATOM 37 N SER A 5 -5.012 30.306 -1.513 1.00 0.00 N ATOM 38 CA SER A 5 -5.200 29.195 -0.587 1.00 0.00 C ATOM 39 C SER A 5 -3.908 28.894 0.168 1.00 0.00 C ATOM 40 O SER A 5 -2.828 28.852 -0.421 1.00 0.00 O ATOM 41 CB SER A 5 -5.666 27.948 -1.341 1.00 0.00 C ATOM 42 OG SER A 5 -4.791 27.644 -2.413 1.00 0.00 O ATOM 0 H SER A 5 -4.687 30.032 -2.440 1.00 0.00 H new ATOM 0 HA SER A 5 -5.965 29.481 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.714 27.102 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.674 28.106 -1.724 1.00 0.00 H new ATOM 0 HG SER A 5 -5.109 26.842 -2.878 1.00 0.00 H new ATOM 48 N SER A 6 -4.029 28.685 1.475 1.00 0.00 N ATOM 49 CA SER A 6 -2.873 28.391 2.312 1.00 0.00 C ATOM 50 C SER A 6 -2.960 26.979 2.884 1.00 0.00 C ATOM 51 O SER A 6 -3.404 26.781 4.014 1.00 0.00 O ATOM 52 CB SER A 6 -2.769 29.409 3.450 1.00 0.00 C ATOM 53 OG SER A 6 -1.450 29.460 3.969 1.00 0.00 O ATOM 0 H SER A 6 -4.917 28.714 1.977 1.00 0.00 H new ATOM 0 HA SER A 6 -1.980 28.458 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.059 30.395 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.466 29.143 4.245 1.00 0.00 H new ATOM 0 HG SER A 6 -1.409 30.119 4.694 1.00 0.00 H new ATOM 59 N GLY A 7 -2.533 25.999 2.093 1.00 0.00 N ATOM 60 CA GLY A 7 -2.571 24.619 2.536 1.00 0.00 C ATOM 61 C GLY A 7 -3.380 23.734 1.609 1.00 0.00 C ATOM 62 O GLY A 7 -4.397 23.169 2.010 1.00 0.00 O ATOM 0 H GLY A 7 -2.161 26.137 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.553 24.234 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.996 24.574 3.539 1.00 0.00 H new ATOM 66 N GLU A 8 -2.929 23.615 0.363 1.00 0.00 N ATOM 67 CA GLU A 8 -3.621 22.795 -0.624 1.00 0.00 C ATOM 68 C GLU A 8 -3.124 21.354 -0.578 1.00 0.00 C ATOM 69 O GLU A 8 -1.929 21.102 -0.422 1.00 0.00 O ATOM 70 CB GLU A 8 -3.422 23.370 -2.028 1.00 0.00 C ATOM 71 CG GLU A 8 -1.987 23.295 -2.519 1.00 0.00 C ATOM 72 CD GLU A 8 -1.108 24.379 -1.926 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.605 25.511 -1.747 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.074 24.097 -1.641 1.00 0.00 O ATOM 0 H GLU A 8 -2.088 24.076 0.014 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.684 22.803 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.064 22.833 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.745 24.411 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.572 22.319 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.974 23.377 -3.606 1.00 0.00 H new ATOM 81 N GLY A 9 -4.050 20.409 -0.716 1.00 0.00 N ATOM 82 CA GLY A 9 -3.686 19.004 -0.687 1.00 0.00 C ATOM 83 C GLY A 9 -4.253 18.284 0.521 1.00 0.00 C ATOM 84 O GLY A 9 -5.440 18.398 0.821 1.00 0.00 O ATOM 0 H GLY A 9 -5.045 20.591 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.044 18.520 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.600 18.913 -0.684 1.00 0.00 H new ATOM 88 N GLY A 10 -3.399 17.537 1.216 1.00 0.00 N ATOM 89 CA GLY A 10 -3.840 16.805 2.389 1.00 0.00 C ATOM 90 C GLY A 10 -3.884 15.308 2.155 1.00 0.00 C ATOM 91 O GLY A 10 -4.298 14.852 1.090 1.00 0.00 O ATOM 0 H GLY A 10 -2.411 17.426 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.170 17.020 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.831 17.154 2.680 1.00 0.00 H new ATOM 95 N ALA A 11 -3.454 14.542 3.152 1.00 0.00 N ATOM 96 CA ALA A 11 -3.447 13.088 3.050 1.00 0.00 C ATOM 97 C ALA A 11 -4.729 12.577 2.403 1.00 0.00 C ATOM 98 O ALA A 11 -4.698 11.676 1.564 1.00 0.00 O ATOM 99 CB ALA A 11 -3.262 12.463 4.425 1.00 0.00 C ATOM 0 H ALA A 11 -3.106 14.904 4.040 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.610 12.797 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.259 11.377 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.315 12.794 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.080 12.770 5.077 1.00 0.00 H new ATOM 105 N HIS A 12 -5.859 13.157 2.798 1.00 0.00 N ATOM 106 CA HIS A 12 -7.153 12.759 2.257 1.00 0.00 C ATOM 107 C HIS A 12 -7.129 12.767 0.731 1.00 0.00 C ATOM 108 O HIS A 12 -7.670 11.868 0.086 1.00 0.00 O ATOM 109 CB HIS A 12 -8.251 13.693 2.765 1.00 0.00 C ATOM 110 CG HIS A 12 -8.075 15.117 2.332 1.00 0.00 C ATOM 111 ND1 HIS A 12 -8.647 15.811 1.321 1.00 0.00 N flip ATOM 112 CD2 HIS A 12 -7.223 15.996 2.965 1.00 0.00 C flip ATOM 113 CE1 HIS A 12 -8.136 17.085 1.362 1.00 0.00 C flip ATOM 114 NE2 HIS A 12 -7.279 17.171 2.364 1.00 0.00 N flip ATOM 0 H HIS A 12 -5.904 13.904 3.491 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.364 11.744 2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.217 13.331 2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.275 13.653 3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.606 15.761 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.393 17.886 0.685 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.751 18.003 2.628 1.00 0.00 H new ATOM 122 N LYS A 13 -6.498 13.787 0.159 1.00 0.00 N ATOM 123 CA LYS A 13 -6.402 13.912 -1.290 1.00 0.00 C ATOM 124 C LYS A 13 -5.728 12.687 -1.899 1.00 0.00 C ATOM 125 O LYS A 13 -6.266 12.058 -2.810 1.00 0.00 O ATOM 126 CB LYS A 13 -5.622 15.175 -1.664 1.00 0.00 C ATOM 127 CG LYS A 13 -6.369 16.463 -1.362 1.00 0.00 C ATOM 128 CD LYS A 13 -7.300 16.846 -2.500 1.00 0.00 C ATOM 129 CE LYS A 13 -8.520 15.941 -2.552 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.695 16.626 -3.160 1.00 0.00 N ATOM 0 H LYS A 13 -6.045 14.540 0.678 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.413 13.985 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.674 15.180 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.384 15.144 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.944 16.345 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.654 17.267 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.619 17.881 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.762 16.788 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.284 15.046 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.772 15.614 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.506 15.975 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.937 17.466 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.463 16.916 -4.132 1.00 0.00 H new ATOM 144 N VAL A 14 -4.546 12.353 -1.389 1.00 0.00 N ATOM 145 CA VAL A 14 -3.800 11.201 -1.881 1.00 0.00 C ATOM 146 C VAL A 14 -4.714 9.996 -2.075 1.00 0.00 C ATOM 147 O VAL A 14 -5.565 9.707 -1.235 1.00 0.00 O ATOM 148 CB VAL A 14 -2.661 10.817 -0.916 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.929 9.583 -1.420 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.700 11.981 -0.738 1.00 0.00 C ATOM 0 H VAL A 14 -4.085 12.864 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.372 11.487 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.094 10.582 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.128 9.326 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.628 8.750 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.506 9.787 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.902 11.693 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.271 12.249 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.237 12.837 -0.329 1.00 0.00 H new ATOM 160 N ARG A 15 -4.530 9.296 -3.191 1.00 0.00 N ATOM 161 CA ARG A 15 -5.339 8.123 -3.498 1.00 0.00 C ATOM 162 C ARG A 15 -4.478 7.009 -4.086 1.00 0.00 C ATOM 163 O ARG A 15 -3.848 7.182 -5.128 1.00 0.00 O ATOM 164 CB ARG A 15 -6.456 8.489 -4.476 1.00 0.00 C ATOM 165 CG ARG A 15 -7.322 7.307 -4.882 1.00 0.00 C ATOM 166 CD ARG A 15 -8.739 7.743 -5.220 1.00 0.00 C ATOM 167 NE ARG A 15 -9.632 6.602 -5.412 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.876 6.712 -5.863 1.00 0.00 C ATOM 169 NH1 ARG A 15 -11.372 7.903 -6.168 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.626 5.628 -6.010 1.00 0.00 N ATOM 0 H ARG A 15 -3.828 9.521 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.783 7.765 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.088 9.253 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.015 8.929 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.878 6.809 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.348 6.579 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.125 8.374 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.725 8.349 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.281 5.671 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.798 8.738 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.328 7.984 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.247 4.710 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.582 5.712 -6.356 1.00 0.00 H new ATOM 184 N ALA A 16 -4.457 5.865 -3.409 1.00 0.00 N ATOM 185 CA ALA A 16 -3.675 4.722 -3.865 1.00 0.00 C ATOM 186 C ALA A 16 -4.575 3.645 -4.463 1.00 0.00 C ATOM 187 O ALA A 16 -5.749 3.540 -4.113 1.00 0.00 O ATOM 188 CB ALA A 16 -2.856 4.151 -2.717 1.00 0.00 C ATOM 0 H ALA A 16 -4.972 5.705 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.996 5.065 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.277 3.298 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.179 4.916 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.524 3.829 -1.918 1.00 0.00 H new ATOM 194 N GLY A 17 -4.015 2.847 -5.366 1.00 0.00 N ATOM 195 CA GLY A 17 -4.781 1.789 -5.998 1.00 0.00 C ATOM 196 C GLY A 17 -4.089 1.224 -7.223 1.00 0.00 C ATOM 197 O GLY A 17 -4.144 1.811 -8.302 1.00 0.00 O ATOM 0 H GLY A 17 -3.044 2.914 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.951 0.988 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.760 2.174 -6.283 1.00 0.00 H new ATOM 201 N GLY A 18 -3.433 0.079 -7.055 1.00 0.00 N ATOM 202 CA GLY A 18 -2.735 -0.545 -8.163 1.00 0.00 C ATOM 203 C GLY A 18 -2.735 -2.058 -8.070 1.00 0.00 C ATOM 204 O GLY A 18 -3.279 -2.644 -7.134 1.00 0.00 O ATOM 0 H GLY A 18 -3.373 -0.427 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.202 -0.242 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.706 -0.186 -8.189 1.00 0.00 H new ATOM 208 N PRO A 19 -2.114 -2.716 -9.060 1.00 0.00 N ATOM 209 CA PRO A 19 -2.031 -4.179 -9.109 1.00 0.00 C ATOM 210 C PRO A 19 -1.116 -4.744 -8.028 1.00 0.00 C ATOM 211 O PRO A 19 0.088 -4.496 -8.028 1.00 0.00 O ATOM 212 CB PRO A 19 -1.452 -4.455 -10.499 1.00 0.00 C ATOM 213 CG PRO A 19 -0.695 -3.220 -10.846 1.00 0.00 C ATOM 214 CD PRO A 19 -1.444 -2.083 -10.209 1.00 0.00 C ATOM 0 HA PRO A 19 -2.999 -4.649 -8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.801 -5.329 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.241 -4.653 -11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.328 -3.271 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.634 -3.090 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.771 -1.286 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.162 -1.639 -10.898 1.00 0.00 H new ATOM 222 N GLY A 20 -1.698 -5.506 -7.107 1.00 0.00 N ATOM 223 CA GLY A 20 -0.920 -6.094 -6.033 1.00 0.00 C ATOM 224 C GLY A 20 -1.573 -5.915 -4.676 1.00 0.00 C ATOM 225 O GLY A 20 -1.478 -6.787 -3.813 1.00 0.00 O ATOM 0 H GLY A 20 -2.694 -5.726 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.782 -7.157 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.072 -5.642 -6.018 1.00 0.00 H new ATOM 229 N LEU A 21 -2.237 -4.779 -4.488 1.00 0.00 N ATOM 230 CA LEU A 21 -2.908 -4.487 -3.226 1.00 0.00 C ATOM 231 C LEU A 21 -4.194 -5.296 -3.092 1.00 0.00 C ATOM 232 O LEU A 21 -4.634 -5.600 -1.984 1.00 0.00 O ATOM 233 CB LEU A 21 -3.220 -2.992 -3.127 1.00 0.00 C ATOM 234 CG LEU A 21 -2.027 -2.073 -2.864 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.362 -0.640 -3.247 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.606 -2.152 -1.404 1.00 0.00 C ATOM 0 H LEU A 21 -2.325 -4.046 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.238 -4.768 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.697 -2.679 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.949 -2.845 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.193 -2.406 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.501 -0.001 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.615 -0.596 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.211 -0.295 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.756 -1.492 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.437 -1.845 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.324 -3.177 -1.162 1.00 0.00 H new ATOM 248 N GLU A 22 -4.789 -5.643 -4.228 1.00 0.00 N ATOM 249 CA GLU A 22 -6.025 -6.419 -4.237 1.00 0.00 C ATOM 250 C GLU A 22 -5.843 -7.737 -3.490 1.00 0.00 C ATOM 251 O GLU A 22 -6.644 -8.086 -2.622 1.00 0.00 O ATOM 252 CB GLU A 22 -6.471 -6.693 -5.675 1.00 0.00 C ATOM 253 CG GLU A 22 -5.376 -7.276 -6.552 1.00 0.00 C ATOM 254 CD GLU A 22 -5.353 -8.791 -6.527 1.00 0.00 C ATOM 255 OE1 GLU A 22 -6.439 -9.402 -6.622 1.00 0.00 O ATOM 256 OE2 GLU A 22 -4.251 -9.367 -6.412 1.00 0.00 O ATOM 0 H GLU A 22 -4.436 -5.400 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.794 -5.836 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.317 -7.381 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.825 -5.763 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.517 -6.936 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.410 -6.896 -6.221 1.00 0.00 H new ATOM 263 N ARG A 23 -4.786 -8.466 -3.834 1.00 0.00 N ATOM 264 CA ARG A 23 -4.500 -9.746 -3.198 1.00 0.00 C ATOM 265 C ARG A 23 -3.010 -10.064 -3.260 1.00 0.00 C ATOM 266 O ARG A 23 -2.317 -9.660 -4.194 1.00 0.00 O ATOM 267 CB ARG A 23 -5.300 -10.864 -3.870 1.00 0.00 C ATOM 268 CG ARG A 23 -5.518 -12.077 -2.981 1.00 0.00 C ATOM 269 CD ARG A 23 -5.644 -13.352 -3.800 1.00 0.00 C ATOM 270 NE ARG A 23 -6.921 -13.426 -4.504 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.079 -13.677 -3.902 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.119 -13.878 -2.592 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.199 -13.728 -4.612 1.00 0.00 N ATOM 0 H ARG A 23 -4.113 -8.192 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.795 -9.676 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.269 -10.471 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.781 -11.177 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.686 -12.172 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.420 -11.935 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.829 -13.401 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.541 -14.216 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.925 -13.277 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.260 -13.840 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.009 -14.070 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.171 -13.575 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.088 -13.921 -4.150 1.00 0.00 H new ATOM 287 N GLY A 24 -2.521 -10.790 -2.260 1.00 0.00 N ATOM 288 CA GLY A 24 -1.116 -11.149 -2.220 1.00 0.00 C ATOM 289 C GLY A 24 -0.901 -12.651 -2.228 1.00 0.00 C ATOM 290 O GLY A 24 -1.856 -13.421 -2.139 1.00 0.00 O ATOM 0 H GLY A 24 -3.074 -11.136 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.607 -10.707 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.661 -10.725 -1.325 1.00 0.00 H new ATOM 294 N GLU A 25 0.359 -13.065 -2.336 1.00 0.00 N ATOM 295 CA GLU A 25 0.694 -14.484 -2.358 1.00 0.00 C ATOM 296 C GLU A 25 1.985 -14.749 -1.588 1.00 0.00 C ATOM 297 O GLU A 25 2.926 -13.958 -1.643 1.00 0.00 O ATOM 298 CB GLU A 25 0.838 -14.975 -3.799 1.00 0.00 C ATOM 299 CG GLU A 25 -0.475 -15.418 -4.424 1.00 0.00 C ATOM 300 CD GLU A 25 -0.503 -15.216 -5.927 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.511 -15.527 -6.586 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.538 -14.746 -6.443 1.00 0.00 O ATOM 0 H GLU A 25 1.161 -12.440 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.117 -15.030 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.268 -14.177 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.541 -15.808 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.643 -16.471 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.295 -14.861 -3.971 1.00 0.00 H new ATOM 309 N ALA A 26 2.021 -15.867 -0.871 1.00 0.00 N ATOM 310 CA ALA A 26 3.196 -16.238 -0.092 1.00 0.00 C ATOM 311 C ALA A 26 4.349 -16.649 -0.999 1.00 0.00 C ATOM 312 O ALA A 26 4.269 -17.651 -1.708 1.00 0.00 O ATOM 313 CB ALA A 26 2.855 -17.363 0.874 1.00 0.00 C ATOM 0 H ALA A 26 1.250 -16.532 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 26 3.512 -15.366 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.742 -17.630 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.068 -17.034 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.511 -18.232 0.313 1.00 0.00 H new ATOM 319 N GLY A 27 5.424 -15.867 -0.974 1.00 0.00 N ATOM 320 CA GLY A 27 6.580 -16.165 -1.800 1.00 0.00 C ATOM 321 C GLY A 27 6.553 -15.428 -3.124 1.00 0.00 C ATOM 322 O GLY A 27 7.349 -15.713 -4.018 1.00 0.00 O ATOM 0 H GLY A 27 5.515 -15.032 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.488 -15.899 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.623 -17.238 -1.986 1.00 0.00 H new ATOM 326 N VAL A 28 5.632 -14.477 -3.251 1.00 0.00 N ATOM 327 CA VAL A 28 5.504 -13.696 -4.475 1.00 0.00 C ATOM 328 C VAL A 28 5.632 -12.204 -4.192 1.00 0.00 C ATOM 329 O VAL A 28 4.952 -11.650 -3.327 1.00 0.00 O ATOM 330 CB VAL A 28 4.156 -13.962 -5.172 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.033 -13.123 -6.436 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.002 -15.441 -5.486 1.00 0.00 C ATOM 0 H VAL A 28 4.964 -14.229 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 28 6.314 -14.008 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 28 3.353 -13.673 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.075 -13.324 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.095 -12.066 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.841 -13.377 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.044 -15.611 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.810 -15.759 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.041 -16.015 -4.560 1.00 0.00 H new ATOM 342 N PRO A 29 6.524 -11.534 -4.936 1.00 0.00 N ATOM 343 CA PRO A 29 6.762 -10.096 -4.784 1.00 0.00 C ATOM 344 C PRO A 29 5.583 -9.259 -5.268 1.00 0.00 C ATOM 345 O PRO A 29 5.376 -9.097 -6.471 1.00 0.00 O ATOM 346 CB PRO A 29 7.992 -9.845 -5.660 1.00 0.00 C ATOM 347 CG PRO A 29 7.961 -10.933 -6.677 1.00 0.00 C ATOM 348 CD PRO A 29 7.370 -12.130 -5.985 1.00 0.00 C ATOM 0 HA PRO A 29 6.901 -9.814 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.949 -8.862 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.910 -9.878 -5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.360 -10.644 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.963 -11.151 -7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.787 -12.744 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.143 -12.772 -5.562 1.00 0.00 H new ATOM 356 N ALA A 30 4.812 -8.728 -4.324 1.00 0.00 N ATOM 357 CA ALA A 30 3.655 -7.906 -4.656 1.00 0.00 C ATOM 358 C ALA A 30 4.060 -6.452 -4.876 1.00 0.00 C ATOM 359 O ALA A 30 4.347 -5.728 -3.924 1.00 0.00 O ATOM 360 CB ALA A 30 2.607 -8.003 -3.558 1.00 0.00 C ATOM 0 H ALA A 30 4.968 -8.853 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 30 3.228 -8.282 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.748 -7.384 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.288 -9.040 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.033 -7.655 -2.617 1.00 0.00 H new ATOM 366 N GLU A 31 4.082 -6.033 -6.137 1.00 0.00 N ATOM 367 CA GLU A 31 4.454 -4.666 -6.482 1.00 0.00 C ATOM 368 C GLU A 31 3.232 -3.864 -6.920 1.00 0.00 C ATOM 369 O GLU A 31 2.475 -4.291 -7.792 1.00 0.00 O ATOM 370 CB GLU A 31 5.504 -4.664 -7.595 1.00 0.00 C ATOM 371 CG GLU A 31 6.682 -5.584 -7.321 1.00 0.00 C ATOM 372 CD GLU A 31 7.865 -5.302 -8.227 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.211 -4.115 -8.399 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.444 -6.270 -8.765 1.00 0.00 O ATOM 0 H GLU A 31 3.847 -6.621 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 31 4.876 -4.197 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.031 -4.962 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.872 -3.648 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.991 -5.473 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.368 -6.619 -7.452 1.00 0.00 H new ATOM 381 N PHE A 32 3.046 -2.699 -6.308 1.00 0.00 N ATOM 382 CA PHE A 32 1.916 -1.838 -6.632 1.00 0.00 C ATOM 383 C PHE A 32 2.386 -0.420 -6.949 1.00 0.00 C ATOM 384 O PHE A 32 3.329 0.083 -6.340 1.00 0.00 O ATOM 385 CB PHE A 32 0.919 -1.808 -5.472 1.00 0.00 C ATOM 386 CG PHE A 32 1.537 -1.412 -4.160 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.222 -2.340 -3.394 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.432 -0.110 -3.696 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.791 -1.978 -2.187 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.999 0.257 -2.490 1.00 0.00 C ATOM 391 CZ PHE A 32 2.680 -0.678 -1.736 1.00 0.00 C ATOM 0 H PHE A 32 3.664 -2.330 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 32 1.423 -2.246 -7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.116 -1.111 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.465 -2.793 -5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.313 -3.358 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.902 0.625 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.322 -2.711 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.909 1.274 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.125 -0.393 -0.794 1.00 0.00 H new ATOM 401 N SER A 33 1.720 0.217 -7.908 1.00 0.00 N ATOM 402 CA SER A 33 2.072 1.574 -8.310 1.00 0.00 C ATOM 403 C SER A 33 1.248 2.600 -7.537 1.00 0.00 C ATOM 404 O SER A 33 0.033 2.461 -7.401 1.00 0.00 O ATOM 405 CB SER A 33 1.853 1.755 -9.813 1.00 0.00 C ATOM 406 OG SER A 33 0.497 1.533 -10.162 1.00 0.00 O ATOM 0 H SER A 33 0.935 -0.185 -8.420 1.00 0.00 H new ATOM 0 HA SER A 33 3.126 1.733 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.147 2.762 -10.108 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.491 1.063 -10.362 1.00 0.00 H new ATOM 0 HG SER A 33 0.383 1.657 -11.128 1.00 0.00 H new ATOM 412 N ILE A 34 1.921 3.628 -7.032 1.00 0.00 N ATOM 413 CA ILE A 34 1.252 4.679 -6.275 1.00 0.00 C ATOM 414 C ILE A 34 1.837 6.049 -6.600 1.00 0.00 C ATOM 415 O ILE A 34 3.039 6.271 -6.462 1.00 0.00 O ATOM 416 CB ILE A 34 1.360 4.434 -4.757 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.673 3.722 -4.426 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.172 3.622 -4.266 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.210 4.053 -3.052 1.00 0.00 C ATOM 0 H ILE A 34 2.928 3.756 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 34 0.202 4.658 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 34 1.352 5.397 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.521 2.645 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.420 3.989 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.263 3.457 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.750 4.165 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.151 2.661 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.142 3.513 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.394 5.125 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.481 3.760 -2.296 1.00 0.00 H new ATOM 431 N TRP A 35 0.978 6.966 -7.031 1.00 0.00 N ATOM 432 CA TRP A 35 1.409 8.316 -7.375 1.00 0.00 C ATOM 433 C TRP A 35 0.599 9.357 -6.609 1.00 0.00 C ATOM 434 O TRP A 35 -0.623 9.251 -6.500 1.00 0.00 O ATOM 435 CB TRP A 35 1.271 8.550 -8.879 1.00 0.00 C ATOM 436 CG TRP A 35 2.225 9.576 -9.411 1.00 0.00 C ATOM 437 CD1 TRP A 35 2.360 10.868 -8.985 1.00 0.00 C ATOM 438 CD2 TRP A 35 3.174 9.400 -10.468 1.00 0.00 C ATOM 439 NE1 TRP A 35 3.336 11.503 -9.714 1.00 0.00 N ATOM 440 CE2 TRP A 35 3.852 10.624 -10.629 1.00 0.00 C ATOM 441 CE3 TRP A 35 3.518 8.325 -11.292 1.00 0.00 C ATOM 442 CZ2 TRP A 35 4.851 10.801 -11.582 1.00 0.00 C ATOM 443 CZ3 TRP A 35 4.510 8.503 -12.237 1.00 0.00 C ATOM 444 CH2 TRP A 35 5.168 9.732 -12.376 1.00 0.00 C ATOM 0 H TRP A 35 -0.021 6.799 -7.151 1.00 0.00 H new ATOM 0 HA TRP A 35 2.457 8.419 -7.094 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.433 7.608 -9.402 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.251 8.865 -9.098 1.00 0.00 H new ATOM 0 HD1 TRP A 35 1.784 11.322 -8.192 1.00 0.00 H new ATOM 0 HE1 TRP A 35 3.629 12.473 -9.593 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.018 7.373 -11.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.358 11.748 -11.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.783 7.680 -12.880 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.940 9.838 -13.124 1.00 0.00 H new ATOM 455 N THR A 36 1.288 10.364 -6.080 1.00 0.00 N ATOM 456 CA THR A 36 0.633 11.424 -5.324 1.00 0.00 C ATOM 457 C THR A 36 0.538 12.706 -6.143 1.00 0.00 C ATOM 458 O THR A 36 1.075 13.743 -5.754 1.00 0.00 O ATOM 459 CB THR A 36 1.379 11.721 -4.010 1.00 0.00 C ATOM 460 OG1 THR A 36 2.736 12.085 -4.290 1.00 0.00 O ATOM 461 CG2 THR A 36 1.353 10.513 -3.087 1.00 0.00 C ATOM 0 H THR A 36 2.299 10.467 -6.161 1.00 0.00 H new ATOM 0 HA THR A 36 -0.371 11.071 -5.090 1.00 0.00 H new ATOM 0 HB THR A 36 0.876 12.549 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.750 12.877 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.886 10.747 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.320 10.256 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.834 9.668 -3.580 1.00 0.00 H new ATOM 469 N ARG A 37 -0.148 12.628 -7.279 1.00 0.00 N ATOM 470 CA ARG A 37 -0.311 13.782 -8.154 1.00 0.00 C ATOM 471 C ARG A 37 -1.516 14.619 -7.729 1.00 0.00 C ATOM 472 O ARG A 37 -1.737 15.711 -8.250 1.00 0.00 O ATOM 473 CB ARG A 37 -0.477 13.330 -9.606 1.00 0.00 C ATOM 474 CG ARG A 37 -1.649 12.386 -9.820 1.00 0.00 C ATOM 475 CD ARG A 37 -1.882 12.115 -11.297 1.00 0.00 C ATOM 476 NE ARG A 37 -2.653 13.178 -11.935 1.00 0.00 N ATOM 477 CZ ARG A 37 -3.979 13.247 -11.903 1.00 0.00 C ATOM 478 NH1 ARG A 37 -4.678 12.318 -11.266 1.00 0.00 N ATOM 479 NH2 ARG A 37 -4.609 14.247 -12.507 1.00 0.00 N ATOM 0 H ARG A 37 -0.600 11.777 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 37 0.585 14.397 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.609 14.208 -10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.439 12.838 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.460 11.446 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.549 12.816 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.922 12.011 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.407 11.167 -11.413 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.145 13.909 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.198 11.549 -10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.696 12.373 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.075 14.965 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.627 14.298 -12.481 1.00 0.00 H new ATOM 493 N GLU A 38 -2.290 14.096 -6.784 1.00 0.00 N ATOM 494 CA GLU A 38 -3.471 14.794 -6.292 1.00 0.00 C ATOM 495 C GLU A 38 -3.117 15.704 -5.120 1.00 0.00 C ATOM 496 O GLU A 38 -3.696 16.778 -4.958 1.00 0.00 O ATOM 497 CB GLU A 38 -4.545 13.790 -5.866 1.00 0.00 C ATOM 498 CG GLU A 38 -5.959 14.334 -5.959 1.00 0.00 C ATOM 499 CD GLU A 38 -7.001 13.237 -6.058 1.00 0.00 C ATOM 500 OE1 GLU A 38 -6.865 12.365 -6.940 1.00 0.00 O ATOM 501 OE2 GLU A 38 -7.954 13.251 -5.249 1.00 0.00 O ATOM 0 H GLU A 38 -2.120 13.192 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.861 15.410 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.466 12.900 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.352 13.478 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.166 14.949 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.038 14.984 -6.830 1.00 0.00 H new ATOM 508 N ALA A 39 -2.162 15.266 -4.306 1.00 0.00 N ATOM 509 CA ALA A 39 -1.730 16.041 -3.149 1.00 0.00 C ATOM 510 C ALA A 39 -0.354 16.656 -3.384 1.00 0.00 C ATOM 511 O ALA A 39 0.638 16.220 -2.802 1.00 0.00 O ATOM 512 CB ALA A 39 -1.715 15.167 -1.904 1.00 0.00 C ATOM 0 H ALA A 39 -1.673 14.379 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.441 16.853 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.391 15.759 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.717 14.780 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.027 14.335 -2.052 1.00 0.00 H new ATOM 518 N GLY A 40 -0.303 17.670 -4.242 1.00 0.00 N ATOM 519 CA GLY A 40 0.957 18.327 -4.539 1.00 0.00 C ATOM 520 C GLY A 40 2.113 17.351 -4.629 1.00 0.00 C ATOM 521 O GLY A 40 2.274 16.660 -5.634 1.00 0.00 O ATOM 0 H GLY A 40 -1.111 18.048 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.868 18.868 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.169 19.066 -3.766 1.00 0.00 H new ATOM 525 N ALA A 41 2.921 17.295 -3.576 1.00 0.00 N ATOM 526 CA ALA A 41 4.068 16.395 -3.540 1.00 0.00 C ATOM 527 C ALA A 41 4.605 16.248 -2.121 1.00 0.00 C ATOM 528 O ALA A 41 4.557 17.186 -1.326 1.00 0.00 O ATOM 529 CB ALA A 41 5.162 16.899 -4.470 1.00 0.00 C ATOM 0 H ALA A 41 2.803 17.862 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 41 3.740 15.413 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.013 16.218 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.779 16.948 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.479 17.893 -4.154 1.00 0.00 H new ATOM 535 N GLY A 42 5.118 15.061 -1.807 1.00 0.00 N ATOM 536 CA GLY A 42 5.656 14.811 -0.482 1.00 0.00 C ATOM 537 C GLY A 42 6.225 13.414 -0.342 1.00 0.00 C ATOM 538 O GLY A 42 6.212 12.633 -1.292 1.00 0.00 O ATOM 0 H GLY A 42 5.170 14.268 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.436 15.541 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.870 14.956 0.259 1.00 0.00 H new ATOM 542 N GLY A 43 6.729 13.099 0.847 1.00 0.00 N ATOM 543 CA GLY A 43 7.302 11.786 1.087 1.00 0.00 C ATOM 544 C GLY A 43 6.243 10.723 1.303 1.00 0.00 C ATOM 545 O GLY A 43 5.054 11.031 1.398 1.00 0.00 O ATOM 0 H GLY A 43 6.751 13.729 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.927 11.505 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.952 11.831 1.961 1.00 0.00 H new ATOM 549 N LEU A 44 6.673 9.469 1.380 1.00 0.00 N ATOM 550 CA LEU A 44 5.754 8.355 1.585 1.00 0.00 C ATOM 551 C LEU A 44 6.418 7.240 2.387 1.00 0.00 C ATOM 552 O LEU A 44 7.457 6.712 1.990 1.00 0.00 O ATOM 553 CB LEU A 44 5.271 7.813 0.238 1.00 0.00 C ATOM 554 CG LEU A 44 4.073 8.532 -0.384 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.104 8.407 -1.899 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.770 7.976 0.173 1.00 0.00 C ATOM 0 H LEU A 44 7.653 9.198 1.304 1.00 0.00 H new ATOM 0 HA LEU A 44 4.898 8.722 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.101 7.856 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.013 6.761 0.363 1.00 0.00 H new ATOM 0 HG LEU A 44 4.133 9.589 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.244 8.924 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.022 8.853 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.068 7.354 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.928 8.499 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.702 6.912 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.746 8.118 1.253 1.00 0.00 H new ATOM 568 N SER A 45 5.810 6.887 3.514 1.00 0.00 N ATOM 569 CA SER A 45 6.344 5.835 4.372 1.00 0.00 C ATOM 570 C SER A 45 5.479 4.581 4.296 1.00 0.00 C ATOM 571 O SER A 45 4.250 4.661 4.287 1.00 0.00 O ATOM 572 CB SER A 45 6.429 6.324 5.820 1.00 0.00 C ATOM 573 OG SER A 45 7.341 7.401 5.942 1.00 0.00 O ATOM 0 H SER A 45 4.948 7.313 3.855 1.00 0.00 H new ATOM 0 HA SER A 45 7.345 5.586 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.442 6.639 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.742 5.504 6.466 1.00 0.00 H new ATOM 0 HG SER A 45 7.376 7.696 6.876 1.00 0.00 H new ATOM 579 N ILE A 46 6.129 3.424 4.242 1.00 0.00 N ATOM 580 CA ILE A 46 5.420 2.152 4.169 1.00 0.00 C ATOM 581 C ILE A 46 6.003 1.140 5.150 1.00 0.00 C ATOM 582 O ILE A 46 7.216 0.944 5.207 1.00 0.00 O ATOM 583 CB ILE A 46 5.472 1.560 2.748 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.059 2.615 1.718 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.573 0.336 2.651 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.607 2.352 0.333 1.00 0.00 C ATOM 0 H ILE A 46 7.146 3.341 4.247 1.00 0.00 H new ATOM 0 HA ILE A 46 4.382 2.354 4.433 1.00 0.00 H new ATOM 0 HB ILE A 46 6.496 1.252 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.971 2.656 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.400 3.594 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.620 -0.071 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.908 -0.419 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.546 0.620 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.275 3.138 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.696 2.340 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.245 1.388 -0.024 1.00 0.00 H new ATOM 598 N ALA A 47 5.129 0.501 5.920 1.00 0.00 N ATOM 599 CA ALA A 47 5.556 -0.494 6.896 1.00 0.00 C ATOM 600 C ALA A 47 4.615 -1.695 6.904 1.00 0.00 C ATOM 601 O ALA A 47 3.461 -1.590 7.322 1.00 0.00 O ATOM 602 CB ALA A 47 5.633 0.127 8.283 1.00 0.00 C ATOM 0 H ALA A 47 4.121 0.654 5.887 1.00 0.00 H new ATOM 0 HA ALA A 47 6.548 -0.844 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.953 -0.627 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.350 0.948 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.651 0.506 8.567 1.00 0.00 H new ATOM 608 N VAL A 48 5.115 -2.835 6.438 1.00 0.00 N ATOM 609 CA VAL A 48 4.319 -4.056 6.392 1.00 0.00 C ATOM 610 C VAL A 48 4.352 -4.784 7.731 1.00 0.00 C ATOM 611 O VAL A 48 5.421 -5.061 8.272 1.00 0.00 O ATOM 612 CB VAL A 48 4.818 -5.009 5.290 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.981 -6.279 5.263 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.793 -4.317 3.936 1.00 0.00 C ATOM 0 H VAL A 48 6.067 -2.939 6.087 1.00 0.00 H new ATOM 0 HA VAL A 48 3.294 -3.758 6.169 1.00 0.00 H new ATOM 0 HB VAL A 48 5.849 -5.286 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.348 -6.940 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.054 -6.784 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.940 -6.024 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.149 -5.005 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.773 -4.010 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.439 -3.439 3.964 1.00 0.00 H new ATOM 624 N GLU A 49 3.171 -5.093 8.259 1.00 0.00 N ATOM 625 CA GLU A 49 3.064 -5.788 9.536 1.00 0.00 C ATOM 626 C GLU A 49 2.007 -6.886 9.471 1.00 0.00 C ATOM 627 O GLU A 49 0.836 -6.619 9.205 1.00 0.00 O ATOM 628 CB GLU A 49 2.723 -4.800 10.654 1.00 0.00 C ATOM 629 CG GLU A 49 3.775 -3.724 10.857 1.00 0.00 C ATOM 630 CD GLU A 49 3.274 -2.571 11.706 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.963 -2.799 12.893 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.195 -1.440 11.182 1.00 0.00 O ATOM 0 H GLU A 49 2.276 -4.873 7.822 1.00 0.00 H new ATOM 0 HA GLU A 49 4.028 -6.249 9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.768 -4.325 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.593 -5.350 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.653 -4.164 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.093 -3.344 9.886 1.00 0.00 H new ATOM 639 N GLY A 50 2.429 -8.123 9.715 1.00 0.00 N ATOM 640 CA GLY A 50 1.506 -9.242 9.679 1.00 0.00 C ATOM 641 C GLY A 50 1.912 -10.359 10.620 1.00 0.00 C ATOM 642 O GLY A 50 2.681 -10.158 11.561 1.00 0.00 O ATOM 0 H GLY A 50 3.393 -8.370 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.507 -8.894 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.450 -9.630 8.662 1.00 0.00 H new ATOM 646 N PRO A 51 1.388 -11.568 10.371 1.00 0.00 N ATOM 647 CA PRO A 51 1.686 -12.745 11.193 1.00 0.00 C ATOM 648 C PRO A 51 3.123 -13.224 11.020 1.00 0.00 C ATOM 649 O PRO A 51 3.591 -14.092 11.757 1.00 0.00 O ATOM 650 CB PRO A 51 0.705 -13.798 10.673 1.00 0.00 C ATOM 651 CG PRO A 51 0.409 -13.382 9.274 1.00 0.00 C ATOM 652 CD PRO A 51 0.465 -11.880 9.267 1.00 0.00 C ATOM 0 HA PRO A 51 1.583 -12.535 12.258 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.142 -14.796 10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.202 -13.827 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.136 -13.803 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.573 -13.737 8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.832 -11.496 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.519 -11.440 9.430 1.00 0.00 H new ATOM 660 N SER A 52 3.820 -12.652 10.043 1.00 0.00 N ATOM 661 CA SER A 52 5.204 -13.023 9.772 1.00 0.00 C ATOM 662 C SER A 52 5.969 -11.855 9.158 1.00 0.00 C ATOM 663 O SER A 52 5.373 -10.896 8.667 1.00 0.00 O ATOM 664 CB SER A 52 5.255 -14.231 8.834 1.00 0.00 C ATOM 665 OG SER A 52 5.232 -15.445 9.564 1.00 0.00 O ATOM 0 H SER A 52 3.449 -11.930 9.426 1.00 0.00 H new ATOM 0 HA SER A 52 5.676 -13.286 10.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.408 -14.199 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.159 -14.186 8.226 1.00 0.00 H new ATOM 0 HG SER A 52 4.732 -15.316 10.397 1.00 0.00 H new ATOM 671 N LYS A 53 7.295 -11.944 9.190 1.00 0.00 N ATOM 672 CA LYS A 53 8.145 -10.895 8.637 1.00 0.00 C ATOM 673 C LYS A 53 8.064 -10.877 7.113 1.00 0.00 C ATOM 674 O LYS A 53 8.137 -11.922 6.467 1.00 0.00 O ATOM 675 CB LYS A 53 9.595 -11.101 9.079 1.00 0.00 C ATOM 676 CG LYS A 53 10.532 -9.995 8.624 1.00 0.00 C ATOM 677 CD LYS A 53 11.979 -10.459 8.616 1.00 0.00 C ATOM 678 CE LYS A 53 12.648 -10.223 9.962 1.00 0.00 C ATOM 679 NZ LYS A 53 13.233 -8.857 10.058 1.00 0.00 N ATOM 0 H LYS A 53 7.804 -12.731 9.593 1.00 0.00 H new ATOM 0 HA LYS A 53 7.789 -9.936 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.628 -11.170 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.953 -12.053 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.249 -9.665 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.428 -9.134 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.021 -11.520 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.528 -9.929 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.918 -10.363 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.432 -10.965 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.679 -8.735 10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.947 -8.732 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.481 -8.148 9.939 1.00 0.00 H new ATOM 693 N ALA A 54 7.914 -9.685 6.548 1.00 0.00 N ATOM 694 CA ALA A 54 7.827 -9.530 5.101 1.00 0.00 C ATOM 695 C ALA A 54 8.918 -8.601 4.581 1.00 0.00 C ATOM 696 O ALA A 54 9.209 -7.570 5.189 1.00 0.00 O ATOM 697 CB ALA A 54 6.453 -9.007 4.708 1.00 0.00 C ATOM 0 H ALA A 54 7.850 -8.811 7.070 1.00 0.00 H new ATOM 0 HA ALA A 54 7.974 -10.510 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.402 -8.896 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.688 -9.710 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.283 -8.039 5.180 1.00 0.00 H new ATOM 703 N GLU A 55 9.519 -8.973 3.455 1.00 0.00 N ATOM 704 CA GLU A 55 10.580 -8.170 2.856 1.00 0.00 C ATOM 705 C GLU A 55 10.014 -6.899 2.231 1.00 0.00 C ATOM 706 O GLU A 55 8.897 -6.894 1.712 1.00 0.00 O ATOM 707 CB GLU A 55 11.327 -8.984 1.797 1.00 0.00 C ATOM 708 CG GLU A 55 12.734 -8.479 1.523 1.00 0.00 C ATOM 709 CD GLU A 55 12.764 -7.364 0.496 1.00 0.00 C ATOM 710 OE1 GLU A 55 11.962 -7.415 -0.459 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.590 -6.439 0.649 1.00 0.00 O ATOM 0 H GLU A 55 9.290 -9.823 2.940 1.00 0.00 H new ATOM 0 HA GLU A 55 11.276 -7.886 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.379 -10.024 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.756 -8.967 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.176 -8.123 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.351 -9.307 1.173 1.00 0.00 H new ATOM 718 N ILE A 56 10.792 -5.824 2.284 1.00 0.00 N ATOM 719 CA ILE A 56 10.369 -4.547 1.723 1.00 0.00 C ATOM 720 C ILE A 56 11.527 -3.843 1.024 1.00 0.00 C ATOM 721 O ILE A 56 12.626 -3.740 1.569 1.00 0.00 O ATOM 722 CB ILE A 56 9.798 -3.616 2.809 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.565 -4.249 3.457 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.453 -2.258 2.215 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.351 -3.822 4.893 1.00 0.00 C ATOM 0 H ILE A 56 11.719 -5.812 2.710 1.00 0.00 H new ATOM 0 HA ILE A 56 9.587 -4.766 0.996 1.00 0.00 H new ATOM 0 HB ILE A 56 10.556 -3.472 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.683 -3.987 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.661 -5.334 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.051 -1.611 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.352 -1.805 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.709 -2.383 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.460 -4.309 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.216 -4.108 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.222 -2.740 4.936 1.00 0.00 H new ATOM 737 N THR A 57 11.272 -3.358 -0.187 1.00 0.00 N ATOM 738 CA THR A 57 12.293 -2.662 -0.962 1.00 0.00 C ATOM 739 C THR A 57 11.751 -1.360 -1.541 1.00 0.00 C ATOM 740 O THR A 57 10.832 -1.368 -2.360 1.00 0.00 O ATOM 741 CB THR A 57 12.822 -3.540 -2.111 1.00 0.00 C ATOM 742 OG1 THR A 57 13.260 -4.804 -1.599 1.00 0.00 O ATOM 743 CG2 THR A 57 13.971 -2.854 -2.832 1.00 0.00 C ATOM 0 H THR A 57 10.368 -3.434 -0.653 1.00 0.00 H new ATOM 0 HA THR A 57 13.112 -2.440 -0.278 1.00 0.00 H new ATOM 0 HB THR A 57 12.011 -3.697 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.482 -5.335 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.328 -3.494 -3.639 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.627 -1.906 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.783 -2.670 -2.129 1.00 0.00 H new ATOM 751 N PHE A 58 12.327 -0.242 -1.111 1.00 0.00 N ATOM 752 CA PHE A 58 11.902 1.069 -1.587 1.00 0.00 C ATOM 753 C PHE A 58 13.010 1.740 -2.395 1.00 0.00 C ATOM 754 O PHE A 58 14.167 1.768 -1.977 1.00 0.00 O ATOM 755 CB PHE A 58 11.504 1.959 -0.408 1.00 0.00 C ATOM 756 CG PHE A 58 10.749 3.192 -0.816 1.00 0.00 C ATOM 757 CD1 PHE A 58 9.479 3.094 -1.362 1.00 0.00 C ATOM 758 CD2 PHE A 58 11.309 4.449 -0.652 1.00 0.00 C ATOM 759 CE1 PHE A 58 8.782 4.227 -1.738 1.00 0.00 C ATOM 760 CE2 PHE A 58 10.616 5.585 -1.025 1.00 0.00 C ATOM 761 CZ PHE A 58 9.351 5.473 -1.570 1.00 0.00 C ATOM 0 H PHE A 58 13.089 -0.218 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 58 11.037 0.930 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.892 1.380 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.403 2.255 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.029 2.121 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.298 4.542 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.793 4.137 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.063 6.559 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.808 6.359 -1.864 1.00 0.00 H new ATOM 771 N ASP A 59 12.645 2.278 -3.553 1.00 0.00 N ATOM 772 CA ASP A 59 13.607 2.949 -4.420 1.00 0.00 C ATOM 773 C ASP A 59 13.004 4.216 -5.021 1.00 0.00 C ATOM 774 O ASP A 59 11.889 4.198 -5.541 1.00 0.00 O ATOM 775 CB ASP A 59 14.064 2.009 -5.536 1.00 0.00 C ATOM 776 CG ASP A 59 14.636 0.711 -5.000 1.00 0.00 C ATOM 777 OD1 ASP A 59 15.277 0.742 -3.929 1.00 0.00 O ATOM 778 OD2 ASP A 59 14.442 -0.336 -5.652 1.00 0.00 O ATOM 0 H ASP A 59 11.691 2.263 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 59 14.470 3.229 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.220 1.788 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.816 2.511 -6.145 1.00 0.00 H new ATOM 783 N ASP A 60 13.750 5.313 -4.944 1.00 0.00 N ATOM 784 CA ASP A 60 13.290 6.589 -5.480 1.00 0.00 C ATOM 785 C ASP A 60 14.245 7.103 -6.553 1.00 0.00 C ATOM 786 O ASP A 60 15.464 6.997 -6.416 1.00 0.00 O ATOM 787 CB ASP A 60 13.160 7.620 -4.358 1.00 0.00 C ATOM 788 CG ASP A 60 11.811 7.559 -3.670 1.00 0.00 C ATOM 789 OD1 ASP A 60 10.932 6.814 -4.151 1.00 0.00 O ATOM 790 OD2 ASP A 60 11.634 8.256 -2.648 1.00 0.00 O ATOM 0 H ASP A 60 14.675 5.344 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 60 12.312 6.433 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.947 7.454 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.311 8.619 -4.767 1.00 0.00 H new ATOM 795 N HIS A 61 13.683 7.662 -7.620 1.00 0.00 N ATOM 796 CA HIS A 61 14.484 8.193 -8.718 1.00 0.00 C ATOM 797 C HIS A 61 15.683 7.292 -8.999 1.00 0.00 C ATOM 798 O HIS A 61 16.818 7.761 -9.090 1.00 0.00 O ATOM 799 CB HIS A 61 14.960 9.609 -8.391 1.00 0.00 C ATOM 800 CG HIS A 61 13.849 10.609 -8.306 1.00 0.00 C ATOM 801 ND1 HIS A 61 13.154 11.056 -9.409 1.00 0.00 N ATOM 802 CD2 HIS A 61 13.312 11.249 -7.241 1.00 0.00 C ATOM 803 CE1 HIS A 61 12.239 11.929 -9.027 1.00 0.00 C ATOM 804 NE2 HIS A 61 12.314 12.063 -7.716 1.00 0.00 N ATOM 0 H HIS A 61 12.676 7.759 -7.748 1.00 0.00 H new ATOM 0 HA HIS A 61 13.859 8.225 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.497 9.593 -7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.669 9.930 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.613 11.140 -6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.548 12.445 -9.677 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.726 12.673 -7.148 1.00 0.00 H new ATOM 812 N LYS A 62 15.425 5.996 -9.135 1.00 0.00 N ATOM 813 CA LYS A 62 16.483 5.029 -9.407 1.00 0.00 C ATOM 814 C LYS A 62 16.338 4.445 -10.808 1.00 0.00 C ATOM 815 O LYS A 62 17.315 4.339 -11.550 1.00 0.00 O ATOM 816 CB LYS A 62 16.452 3.905 -8.370 1.00 0.00 C ATOM 817 CG LYS A 62 17.150 4.260 -7.068 1.00 0.00 C ATOM 818 CD LYS A 62 18.661 4.252 -7.225 1.00 0.00 C ATOM 819 CE LYS A 62 19.207 2.833 -7.288 1.00 0.00 C ATOM 820 NZ LYS A 62 19.275 2.204 -5.940 1.00 0.00 N ATOM 0 H LYS A 62 14.492 5.590 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 62 17.440 5.547 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.415 3.646 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.922 3.017 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.823 5.245 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.860 3.550 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.937 4.790 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.118 4.782 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.575 2.229 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.202 2.846 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.668 1.245 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.885 2.775 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.320 2.152 -5.532 1.00 0.00 H new ATOM 834 N ASN A 63 15.114 4.070 -11.166 1.00 0.00 N ATOM 835 CA ASN A 63 14.843 3.498 -12.480 1.00 0.00 C ATOM 836 C ASN A 63 13.837 4.351 -13.247 1.00 0.00 C ATOM 837 O ASN A 63 13.785 4.313 -14.475 1.00 0.00 O ATOM 838 CB ASN A 63 14.315 2.069 -12.338 1.00 0.00 C ATOM 839 CG ASN A 63 15.373 1.110 -11.828 1.00 0.00 C ATOM 840 OD1 ASN A 63 16.343 1.520 -11.189 1.00 0.00 O ATOM 841 ND2 ASN A 63 15.192 -0.175 -12.109 1.00 0.00 N ATOM 0 H ASN A 63 14.294 4.152 -10.565 1.00 0.00 H new ATOM 0 HA ASN A 63 15.778 3.478 -13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.465 2.065 -11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.949 1.722 -13.304 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.871 -0.867 -11.792 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.374 -0.470 -12.641 1.00 0.00 H new ATOM 848 N GLY A 64 13.038 5.118 -12.512 1.00 0.00 N ATOM 849 CA GLY A 64 12.044 5.969 -13.140 1.00 0.00 C ATOM 850 C GLY A 64 10.677 5.316 -13.201 1.00 0.00 C ATOM 851 O GLY A 64 9.665 5.948 -12.901 1.00 0.00 O ATOM 0 H GLY A 64 13.061 5.165 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.971 6.906 -12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.370 6.218 -14.150 1.00 0.00 H new ATOM 855 N SER A 65 10.647 4.046 -13.593 1.00 0.00 N ATOM 856 CA SER A 65 9.394 3.308 -13.698 1.00 0.00 C ATOM 857 C SER A 65 9.279 2.270 -12.586 1.00 0.00 C ATOM 858 O SER A 65 8.765 1.171 -12.798 1.00 0.00 O ATOM 859 CB SER A 65 9.293 2.624 -15.062 1.00 0.00 C ATOM 860 OG SER A 65 9.163 3.577 -16.103 1.00 0.00 O ATOM 0 H SER A 65 11.476 3.507 -13.843 1.00 0.00 H new ATOM 0 HA SER A 65 8.574 4.018 -13.594 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.180 2.013 -15.233 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.436 1.951 -15.072 1.00 0.00 H new ATOM 0 HG SER A 65 9.102 3.114 -16.965 1.00 0.00 H new ATOM 866 N CYS A 66 9.761 2.627 -11.400 1.00 0.00 N ATOM 867 CA CYS A 66 9.714 1.727 -10.255 1.00 0.00 C ATOM 868 C CYS A 66 8.842 2.305 -9.144 1.00 0.00 C ATOM 869 O CYS A 66 8.393 3.447 -9.226 1.00 0.00 O ATOM 870 CB CYS A 66 11.126 1.465 -9.726 1.00 0.00 C ATOM 871 SG CYS A 66 11.754 2.756 -8.628 1.00 0.00 S ATOM 0 H CYS A 66 10.188 3.533 -11.207 1.00 0.00 H new ATOM 0 HA CYS A 66 9.276 0.785 -10.584 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.132 0.515 -9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.806 1.360 -10.572 1.00 0.00 H new ATOM 0 HG CYS A 66 11.263 2.588 -7.436 1.00 0.00 H new ATOM 877 N GLY A 67 8.606 1.507 -8.107 1.00 0.00 N ATOM 878 CA GLY A 67 7.788 1.956 -6.997 1.00 0.00 C ATOM 879 C GLY A 67 8.132 1.250 -5.699 1.00 0.00 C ATOM 880 O GLY A 67 9.204 1.464 -5.134 1.00 0.00 O ATOM 0 H GLY A 67 8.967 0.557 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.916 3.031 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.737 1.786 -7.232 1.00 0.00 H new ATOM 884 N VAL A 68 7.220 0.407 -5.226 1.00 0.00 N ATOM 885 CA VAL A 68 7.432 -0.331 -3.987 1.00 0.00 C ATOM 886 C VAL A 68 7.153 -1.818 -4.179 1.00 0.00 C ATOM 887 O VAL A 68 6.233 -2.199 -4.902 1.00 0.00 O ATOM 888 CB VAL A 68 6.539 0.205 -2.853 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.973 -0.368 -1.513 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.569 1.726 -2.826 1.00 0.00 C ATOM 0 H VAL A 68 6.327 0.218 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 68 8.477 -0.192 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 68 5.514 -0.113 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.330 0.023 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.895 -1.455 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.006 -0.083 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.933 2.088 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.591 2.067 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.205 2.114 -3.777 1.00 0.00 H new ATOM 900 N SER A 69 7.954 -2.654 -3.526 1.00 0.00 N ATOM 901 CA SER A 69 7.796 -4.100 -3.627 1.00 0.00 C ATOM 902 C SER A 69 7.931 -4.758 -2.257 1.00 0.00 C ATOM 903 O SER A 69 8.602 -4.234 -1.368 1.00 0.00 O ATOM 904 CB SER A 69 8.833 -4.682 -4.590 1.00 0.00 C ATOM 905 OG SER A 69 10.142 -4.572 -4.057 1.00 0.00 O ATOM 0 H SER A 69 8.719 -2.355 -2.921 1.00 0.00 H new ATOM 0 HA SER A 69 6.797 -4.306 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.604 -5.729 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.781 -4.159 -5.545 1.00 0.00 H new ATOM 0 HG SER A 69 10.786 -4.952 -4.690 1.00 0.00 H new ATOM 911 N TYR A 70 7.289 -5.910 -2.095 1.00 0.00 N ATOM 912 CA TYR A 70 7.335 -6.640 -0.834 1.00 0.00 C ATOM 913 C TYR A 70 7.009 -8.115 -1.047 1.00 0.00 C ATOM 914 O TYR A 70 6.181 -8.464 -1.888 1.00 0.00 O ATOM 915 CB TYR A 70 6.355 -6.028 0.169 1.00 0.00 C ATOM 916 CG TYR A 70 4.914 -6.411 -0.083 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.153 -5.740 -1.032 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.314 -7.443 0.628 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.835 -6.085 -1.265 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.998 -7.796 0.400 1.00 0.00 C ATOM 921 CZ TYR A 70 2.263 -7.114 -0.547 1.00 0.00 C ATOM 922 OH TYR A 70 0.952 -7.462 -0.776 1.00 0.00 O ATOM 0 H TYR A 70 6.731 -6.358 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 70 8.347 -6.564 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.635 -6.341 1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.445 -4.942 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.599 -4.935 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.886 -7.978 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.257 -5.552 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.547 -8.602 0.960 1.00 0.00 H new ATOM 0 HH TYR A 70 0.476 -7.525 0.078 1.00 0.00 H new ATOM 932 N ILE A 71 7.666 -8.976 -0.276 1.00 0.00 N ATOM 933 CA ILE A 71 7.445 -10.413 -0.378 1.00 0.00 C ATOM 934 C ILE A 71 7.089 -11.011 0.979 1.00 0.00 C ATOM 935 O ILE A 71 7.752 -10.744 1.981 1.00 0.00 O ATOM 936 CB ILE A 71 8.686 -11.135 -0.935 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.841 -10.849 -2.431 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.585 -12.632 -0.684 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.192 -11.243 -2.984 1.00 0.00 C ATOM 0 H ILE A 71 8.355 -8.703 0.425 1.00 0.00 H new ATOM 0 HA ILE A 71 6.612 -10.557 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 71 9.569 -10.759 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.064 -11.383 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.681 -9.785 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.469 -13.128 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.518 -12.817 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.695 -13.024 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.231 -11.012 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.974 -10.689 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.347 -12.312 -2.839 1.00 0.00 H new ATOM 951 N ALA A 72 6.039 -11.826 1.003 1.00 0.00 N ATOM 952 CA ALA A 72 5.597 -12.466 2.236 1.00 0.00 C ATOM 953 C ALA A 72 5.980 -13.941 2.255 1.00 0.00 C ATOM 954 O ALA A 72 5.437 -14.743 1.497 1.00 0.00 O ATOM 955 CB ALA A 72 4.092 -12.307 2.403 1.00 0.00 C ATOM 0 H ALA A 72 5.479 -12.058 0.183 1.00 0.00 H new ATOM 0 HA ALA A 72 6.098 -11.976 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.776 -12.790 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.840 -11.247 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.581 -12.770 1.559 1.00 0.00 H new ATOM 961 N GLN A 73 6.919 -14.292 3.128 1.00 0.00 N ATOM 962 CA GLN A 73 7.375 -15.671 3.245 1.00 0.00 C ATOM 963 C GLN A 73 6.216 -16.602 3.588 1.00 0.00 C ATOM 964 O GLN A 73 5.989 -17.600 2.908 1.00 0.00 O ATOM 965 CB GLN A 73 8.466 -15.782 4.313 1.00 0.00 C ATOM 966 CG GLN A 73 9.725 -14.997 3.981 1.00 0.00 C ATOM 967 CD GLN A 73 10.098 -15.088 2.514 1.00 0.00 C ATOM 968 OE1 GLN A 73 9.960 -16.141 1.891 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.575 -13.982 1.955 1.00 0.00 N ATOM 0 H GLN A 73 7.378 -13.640 3.764 1.00 0.00 H new ATOM 0 HA GLN A 73 7.787 -15.973 2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.068 -15.429 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.727 -16.832 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.579 -13.951 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.551 -15.370 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.672 -13.131 2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.844 -13.983 0.971 1.00 0.00 H new ATOM 978 N GLU A 74 5.488 -16.266 4.648 1.00 0.00 N ATOM 979 CA GLU A 74 4.352 -17.072 5.080 1.00 0.00 C ATOM 980 C GLU A 74 3.034 -16.403 4.704 1.00 0.00 C ATOM 981 O GLU A 74 2.904 -15.178 4.720 1.00 0.00 O ATOM 982 CB GLU A 74 4.408 -17.302 6.592 1.00 0.00 C ATOM 983 CG GLU A 74 5.713 -17.920 7.066 1.00 0.00 C ATOM 984 CD GLU A 74 5.867 -19.364 6.629 1.00 0.00 C ATOM 985 OE1 GLU A 74 6.326 -19.593 5.491 1.00 0.00 O ATOM 986 OE2 GLU A 74 5.529 -20.263 7.425 1.00 0.00 O ATOM 0 H GLU A 74 5.664 -15.442 5.223 1.00 0.00 H new ATOM 0 HA GLU A 74 4.408 -18.034 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.261 -16.350 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.582 -17.951 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.549 -17.336 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.762 -17.866 8.154 1.00 0.00 H new ATOM 993 N PRO A 75 2.032 -17.222 4.359 1.00 0.00 N ATOM 994 CA PRO A 75 0.705 -16.732 3.973 1.00 0.00 C ATOM 995 C PRO A 75 -0.059 -16.137 5.151 1.00 0.00 C ATOM 996 O PRO A 75 0.036 -16.626 6.275 1.00 0.00 O ATOM 997 CB PRO A 75 -0.002 -17.989 3.458 1.00 0.00 C ATOM 998 CG PRO A 75 0.683 -19.118 4.148 1.00 0.00 C ATOM 999 CD PRO A 75 2.115 -18.692 4.318 1.00 0.00 C ATOM 0 HA PRO A 75 0.766 -15.929 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.066 -17.969 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.084 -18.076 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.220 -19.324 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.615 -20.033 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.548 -19.096 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.737 -19.036 3.492 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.817 -15.077 4.884 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.586 -14.433 5.932 1.00 0.00 C ATOM 1009 C GLY A 76 -2.031 -13.035 5.549 1.00 0.00 C ATOM 1010 O GLY A 76 -1.740 -12.563 4.451 1.00 0.00 O ATOM 0 H GLY A 76 -0.912 -14.654 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.462 -15.040 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.986 -14.384 6.841 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.739 -12.372 6.457 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.227 -11.020 6.207 1.00 0.00 C ATOM 1016 C ASN A 77 -2.186 -9.982 6.612 1.00 0.00 C ATOM 1017 O ASN A 77 -2.076 -9.622 7.785 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.531 -10.776 6.972 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.595 -11.806 6.644 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.346 -13.011 6.698 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.787 -11.335 6.301 1.00 0.00 N ATOM 0 H ASN A 77 -2.988 -12.748 7.372 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.416 -10.921 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.330 -10.794 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.907 -9.781 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.543 -11.980 6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.948 -10.328 6.270 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.424 -9.504 5.635 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.389 -8.509 5.889 1.00 0.00 C ATOM 1030 C TYR A 78 -0.949 -7.097 5.758 1.00 0.00 C ATOM 1031 O TYR A 78 -1.424 -6.702 4.695 1.00 0.00 O ATOM 1032 CB TYR A 78 0.779 -8.698 4.920 1.00 0.00 C ATOM 1033 CG TYR A 78 1.624 -9.916 5.220 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.135 -11.197 4.997 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.911 -9.785 5.725 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.903 -12.312 5.270 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.688 -10.894 6.000 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.178 -12.156 5.771 1.00 0.00 C ATOM 1039 OH TYR A 78 3.947 -13.265 6.044 1.00 0.00 O ATOM 0 H TYR A 78 -1.504 -9.790 4.659 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.031 -8.646 6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.389 -8.778 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.412 -7.811 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.137 -11.323 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.312 -8.799 5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.507 -13.301 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.687 -10.774 6.391 1.00 0.00 H new ATOM 0 HH TYR A 78 3.425 -14.076 5.869 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.888 -6.339 6.850 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.389 -4.970 6.858 1.00 0.00 C ATOM 1051 C GLU A 79 -0.273 -3.980 6.537 1.00 0.00 C ATOM 1052 O GLU A 79 0.696 -3.856 7.286 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.006 -4.637 8.219 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.134 -3.622 8.144 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.311 -2.851 9.437 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.472 -1.970 9.722 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.288 -3.127 10.164 1.00 0.00 O ATOM 0 H GLU A 79 -0.497 -6.650 7.739 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.157 -4.887 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.383 -5.554 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.227 -4.254 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.935 -2.922 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.064 -4.135 7.901 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.416 -3.278 5.417 1.00 0.00 N ATOM 1065 CA VAL A 80 0.579 -2.300 4.996 1.00 0.00 C ATOM 1066 C VAL A 80 0.221 -0.904 5.493 1.00 0.00 C ATOM 1067 O VAL A 80 -0.788 -0.328 5.085 1.00 0.00 O ATOM 1068 CB VAL A 80 0.719 -2.266 3.462 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.775 -1.255 3.044 1.00 0.00 C ATOM 1070 CG2 VAL A 80 1.055 -3.650 2.929 1.00 0.00 C ATOM 0 H VAL A 80 -1.212 -3.369 4.785 1.00 0.00 H new ATOM 0 HA VAL A 80 1.529 -2.607 5.434 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.235 -1.957 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.860 -1.245 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.488 -0.263 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.735 -1.530 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.150 -3.609 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.996 -3.989 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.260 -4.346 3.197 1.00 0.00 H new ATOM 1080 N SER A 81 1.055 -0.363 6.376 1.00 0.00 N ATOM 1081 CA SER A 81 0.824 0.965 6.931 1.00 0.00 C ATOM 1082 C SER A 81 1.413 2.042 6.026 1.00 0.00 C ATOM 1083 O SER A 81 2.622 2.081 5.795 1.00 0.00 O ATOM 1084 CB SER A 81 1.435 1.068 8.330 1.00 0.00 C ATOM 1085 OG SER A 81 1.033 -0.019 9.144 1.00 0.00 O ATOM 0 H SER A 81 1.896 -0.824 6.722 1.00 0.00 H new ATOM 0 HA SER A 81 -0.253 1.122 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.522 1.087 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.131 2.006 8.795 1.00 0.00 H new ATOM 0 HG SER A 81 1.793 -0.322 9.684 1.00 0.00 H new ATOM 1091 N ILE A 82 0.551 2.915 5.516 1.00 0.00 N ATOM 1092 CA ILE A 82 0.985 3.993 4.637 1.00 0.00 C ATOM 1093 C ILE A 82 0.707 5.356 5.260 1.00 0.00 C ATOM 1094 O ILE A 82 -0.390 5.612 5.758 1.00 0.00 O ATOM 1095 CB ILE A 82 0.288 3.917 3.266 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.640 2.605 2.561 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.681 5.107 2.404 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.058 2.490 1.170 1.00 0.00 C ATOM 0 H ILE A 82 -0.453 2.897 5.697 1.00 0.00 H new ATOM 0 HA ILE A 82 2.059 3.872 4.497 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.790 3.946 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.725 2.514 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.284 1.771 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.180 5.038 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.385 6.030 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.761 5.106 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.349 1.535 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.029 2.548 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.434 3.303 0.550 1.00 0.00 H new ATOM 1110 N LYS A 83 1.707 6.230 5.229 1.00 0.00 N ATOM 1111 CA LYS A 83 1.572 7.570 5.788 1.00 0.00 C ATOM 1112 C LYS A 83 2.083 8.622 4.810 1.00 0.00 C ATOM 1113 O LYS A 83 3.228 8.564 4.362 1.00 0.00 O ATOM 1114 CB LYS A 83 2.337 7.673 7.110 1.00 0.00 C ATOM 1115 CG LYS A 83 1.545 7.186 8.310 1.00 0.00 C ATOM 1116 CD LYS A 83 1.969 7.897 9.585 1.00 0.00 C ATOM 1117 CE LYS A 83 3.211 7.263 10.190 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.891 6.010 10.928 1.00 0.00 N ATOM 0 H LYS A 83 2.621 6.034 4.822 1.00 0.00 H new ATOM 0 HA LYS A 83 0.514 7.754 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.257 7.094 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.626 8.711 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.482 7.352 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.685 6.112 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.164 8.948 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.154 7.866 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.929 7.045 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.687 7.972 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.762 5.618 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.212 6.218 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.475 5.318 10.273 1.00 0.00 H new ATOM 1132 N PHE A 84 1.226 9.584 4.482 1.00 0.00 N ATOM 1133 CA PHE A 84 1.592 10.651 3.557 1.00 0.00 C ATOM 1134 C PHE A 84 2.008 11.909 4.313 1.00 0.00 C ATOM 1135 O PHE A 84 1.168 12.629 4.851 1.00 0.00 O ATOM 1136 CB PHE A 84 0.421 10.967 2.623 1.00 0.00 C ATOM 1137 CG PHE A 84 0.611 12.229 1.832 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.364 12.227 0.669 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.035 13.418 2.249 1.00 0.00 C ATOM 1140 CE1 PHE A 84 1.541 13.388 -0.061 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.208 14.581 1.523 1.00 0.00 C ATOM 1142 CZ PHE A 84 0.961 14.566 0.366 1.00 0.00 C ATOM 0 H PHE A 84 0.274 9.647 4.843 1.00 0.00 H new ATOM 0 HA PHE A 84 2.440 10.309 2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.280 10.134 1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.492 11.051 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.818 11.308 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.556 13.436 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.132 13.373 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.246 15.501 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.096 15.473 -0.204 1.00 0.00 H new ATOM 1152 N ASN A 85 3.312 12.166 4.350 1.00 0.00 N ATOM 1153 CA ASN A 85 3.840 13.336 5.041 1.00 0.00 C ATOM 1154 C ASN A 85 3.550 13.262 6.537 1.00 0.00 C ATOM 1155 O ASN A 85 3.134 14.246 7.148 1.00 0.00 O ATOM 1156 CB ASN A 85 3.238 14.616 4.456 1.00 0.00 C ATOM 1157 CG ASN A 85 4.046 15.154 3.292 1.00 0.00 C ATOM 1158 OD1 ASN A 85 5.216 14.810 3.121 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.423 16.005 2.483 1.00 0.00 N ATOM 0 H ASN A 85 4.021 11.580 3.910 1.00 0.00 H new ATOM 0 HA ASN A 85 4.921 13.353 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.218 14.417 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.178 15.376 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.915 16.401 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.452 16.262 2.663 1.00 0.00 H new ATOM 1166 N ASP A 86 3.772 12.089 7.119 1.00 0.00 N ATOM 1167 CA ASP A 86 3.536 11.886 8.544 1.00 0.00 C ATOM 1168 C ASP A 86 2.047 11.970 8.865 1.00 0.00 C ATOM 1169 O ASP A 86 1.656 12.482 9.914 1.00 0.00 O ATOM 1170 CB ASP A 86 4.306 12.922 9.363 1.00 0.00 C ATOM 1171 CG ASP A 86 5.741 13.077 8.899 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.346 12.062 8.493 1.00 0.00 O ATOM 1173 OD2 ASP A 86 6.258 14.212 8.940 1.00 0.00 O ATOM 0 H ASP A 86 4.115 11.264 6.627 1.00 0.00 H new ATOM 0 HA ASP A 86 3.891 10.890 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.799 13.885 9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.296 12.631 10.413 1.00 0.00 H new ATOM 1178 N GLU A 87 1.220 11.465 7.954 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.226 11.485 8.142 1.00 0.00 C ATOM 1180 C GLU A 87 -0.859 10.196 7.627 1.00 0.00 C ATOM 1181 O GLU A 87 -0.466 9.671 6.584 1.00 0.00 O ATOM 1182 CB GLU A 87 -0.838 12.689 7.424 1.00 0.00 C ATOM 1183 CG GLU A 87 -0.907 13.940 8.283 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.724 15.045 7.642 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.745 14.728 6.995 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.344 16.226 7.787 1.00 0.00 O ATOM 0 H GLU A 87 1.526 11.038 7.080 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.427 11.567 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.253 12.904 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.844 12.431 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.340 13.688 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.103 14.303 8.471 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.842 9.690 8.365 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.530 8.462 7.983 1.00 0.00 C ATOM 1195 C HIS A 88 -3.715 8.765 7.070 1.00 0.00 C ATOM 1196 O HIS A 88 -4.648 9.467 7.460 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.010 7.714 9.227 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.024 6.708 9.737 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.014 6.832 10.630 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.012 5.392 9.327 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -0.416 5.601 10.741 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.037 4.749 9.945 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.180 10.111 9.230 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.825 7.834 7.439 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.222 8.436 10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.948 7.208 8.998 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -0.747 7.681 11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.693 4.955 8.612 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.426 5.367 11.376 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.669 8.232 5.853 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.738 8.445 4.886 1.00 0.00 C ATOM 1212 C ILE A 89 -5.966 7.608 5.230 1.00 0.00 C ATOM 1213 O ILE A 89 -5.887 6.611 5.948 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.280 8.099 3.456 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.295 6.928 3.482 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.648 9.314 2.794 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.338 6.076 2.233 1.00 0.00 C ATOM 0 H ILE A 89 -2.903 7.650 5.514 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.998 9.503 4.931 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.152 7.804 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.285 7.316 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.510 6.301 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.330 9.054 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.377 10.123 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.784 9.637 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.615 5.265 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.338 5.659 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.093 6.689 1.366 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.128 8.022 4.706 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.396 7.325 4.943 1.00 0.00 C ATOM 1231 C PRO A 90 -8.451 5.970 4.244 1.00 0.00 C ATOM 1232 O PRO A 90 -9.464 5.275 4.299 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.440 8.274 4.350 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.699 9.057 3.320 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.296 9.203 3.842 1.00 0.00 C ATOM 0 HA PRO A 90 -8.550 7.107 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.270 7.723 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.862 8.926 5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.706 8.543 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.161 10.032 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.566 9.216 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.170 10.131 4.400 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.354 5.603 3.589 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.279 4.331 2.880 1.00 0.00 C ATOM 1245 C GLU A 91 -6.186 3.443 3.468 1.00 0.00 C ATOM 1246 O GLU A 91 -5.890 2.372 2.939 1.00 0.00 O ATOM 1247 CB GLU A 91 -7.015 4.566 1.391 1.00 0.00 C ATOM 1248 CG GLU A 91 -8.059 5.440 0.717 1.00 0.00 C ATOM 1249 CD GLU A 91 -9.335 4.685 0.400 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -9.240 3.542 -0.095 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.428 5.236 0.647 1.00 0.00 O ATOM 0 H GLU A 91 -6.506 6.168 3.535 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.237 3.823 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.035 5.029 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.976 3.603 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.293 6.285 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.645 5.849 -0.204 1.00 0.00 H new ATOM 1258 N SER A 92 -5.591 3.898 4.565 1.00 0.00 N ATOM 1259 CA SER A 92 -4.528 3.148 5.225 1.00 0.00 C ATOM 1260 C SER A 92 -4.783 3.046 6.725 1.00 0.00 C ATOM 1261 O SER A 92 -5.463 3.881 7.322 1.00 0.00 O ATOM 1262 CB SER A 92 -3.173 3.813 4.971 1.00 0.00 C ATOM 1263 OG SER A 92 -2.864 4.745 5.993 1.00 0.00 O ATOM 0 H SER A 92 -5.826 4.782 5.016 1.00 0.00 H new ATOM 0 HA SER A 92 -4.516 2.141 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.394 3.052 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.187 4.319 4.005 1.00 0.00 H new ATOM 0 HG SER A 92 -1.930 5.028 5.906 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.227 1.998 7.349 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.417 0.997 6.648 1.00 0.00 C ATOM 1271 C PRO A 93 -4.251 0.124 5.718 1.00 0.00 C ATOM 1272 O PRO A 93 -5.473 0.053 5.846 1.00 0.00 O ATOM 1273 CB PRO A 93 -2.828 0.157 7.784 1.00 0.00 C ATOM 1274 CG PRO A 93 -3.792 0.315 8.910 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.346 1.708 8.788 1.00 0.00 C ATOM 0 HA PRO A 93 -2.666 1.458 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.727 -0.888 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.834 0.508 8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.587 -0.428 8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.296 0.175 9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.382 1.759 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.780 2.420 9.389 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.584 -0.538 4.779 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.264 -1.405 3.825 1.00 0.00 C ATOM 1285 C TYR A 94 -4.185 -2.865 4.261 1.00 0.00 C ATOM 1286 O TYR A 94 -3.227 -3.277 4.919 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.655 -1.244 2.431 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.850 0.135 1.841 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.183 1.236 2.364 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.700 0.336 0.761 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.358 2.497 1.828 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.880 1.594 0.218 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.208 2.672 0.756 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.385 3.926 0.219 1.00 0.00 O ATOM 0 H TYR A 94 -2.572 -0.490 4.658 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.313 -1.111 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.588 -1.461 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.098 -1.982 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.517 1.104 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.229 -0.505 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.832 3.342 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.543 1.732 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.518 4.378 0.150 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.195 -3.643 3.890 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.240 -5.058 4.242 1.00 0.00 C ATOM 1306 C LEU A 95 -5.081 -5.932 3.001 1.00 0.00 C ATOM 1307 O LEU A 95 -5.969 -5.989 2.151 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.557 -5.387 4.946 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.684 -6.805 5.505 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.377 -7.245 6.145 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.825 -6.883 6.508 1.00 0.00 C ATOM 0 H LEU A 95 -5.994 -3.318 3.345 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.412 -5.266 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.694 -4.681 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.373 -5.221 4.243 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.906 -7.482 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.486 -8.256 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.583 -7.229 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.124 -6.566 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.900 -7.899 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.634 -6.194 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.760 -6.611 6.018 1.00 0.00 H new ATOM 1323 N VAL A 96 -3.944 -6.614 2.906 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.670 -7.488 1.772 1.00 0.00 C ATOM 1325 C VAL A 96 -3.636 -8.952 2.202 1.00 0.00 C ATOM 1326 O VAL A 96 -2.661 -9.431 2.782 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.331 -7.131 1.099 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.339 -7.555 -0.362 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.050 -5.642 1.231 1.00 0.00 C ATOM 0 H VAL A 96 -3.198 -6.578 3.601 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.479 -7.341 1.056 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.532 -7.674 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.385 -7.295 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.492 -8.632 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.146 -7.042 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.100 -5.407 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.849 -5.077 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.999 -5.374 2.286 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.724 -9.678 1.913 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.843 -11.098 2.259 1.00 0.00 C ATOM 1341 C PRO A 97 -3.915 -11.977 1.429 1.00 0.00 C ATOM 1342 O PRO A 97 -4.220 -12.312 0.283 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.307 -11.418 1.944 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.700 -10.421 0.910 1.00 0.00 C ATOM 1345 CD PRO A 97 -5.924 -9.171 1.225 1.00 0.00 C ATOM 0 HA PRO A 97 -4.564 -11.290 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.418 -12.437 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.931 -11.332 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.466 -10.784 -0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.773 -10.232 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.666 -8.620 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.495 -8.493 1.860 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.781 -12.350 2.012 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.808 -13.192 1.326 1.00 0.00 C ATOM 1355 C VAL A 98 -2.083 -14.669 1.584 1.00 0.00 C ATOM 1356 O VAL A 98 -2.419 -15.063 2.701 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.371 -12.863 1.768 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.637 -13.604 0.902 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.128 -11.362 1.717 1.00 0.00 C ATOM 0 H VAL A 98 -2.513 -12.082 2.959 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.907 -12.988 0.260 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.242 -13.194 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.647 -13.359 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.476 -14.678 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.511 -13.306 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.893 -11.148 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.275 -11.004 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.827 -10.857 2.384 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.935 -15.483 0.543 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.166 -16.918 0.658 1.00 0.00 C ATOM 1371 C ILE A 99 -1.104 -17.707 -0.102 1.00 0.00 C ATOM 1372 O ILE A 99 -0.456 -17.183 -1.006 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.558 -17.309 0.128 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.713 -16.873 -1.330 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.646 -16.689 0.991 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.706 -17.709 -2.108 1.00 0.00 C ATOM 0 H ILE A 99 -1.657 -15.173 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.109 -17.163 1.718 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.658 -18.393 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.028 -15.830 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.742 -16.926 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.624 -16.974 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.544 -17.044 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.551 -15.603 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.765 -17.344 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.382 -18.750 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.688 -17.637 -1.640 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.935 -18.971 0.271 1.00 0.00 N ATOM 1389 CA ALA A 100 0.044 -19.835 -0.377 1.00 0.00 C ATOM 1390 C ALA A 100 -0.521 -20.440 -1.659 1.00 0.00 C ATOM 1391 O ALA A 100 -1.448 -21.249 -1.635 1.00 0.00 O ATOM 1392 CB ALA A 100 0.491 -20.933 0.575 1.00 0.00 C ATOM 0 H ALA A 100 -1.464 -19.420 1.019 1.00 0.00 H new ATOM 0 HA ALA A 100 0.909 -19.227 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.222 -21.570 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.943 -20.485 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.371 -21.531 0.871 1.00 0.00 H new ATOM 1398 N PRO A 101 0.049 -20.038 -2.805 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.383 -20.529 -4.117 1.00 0.00 C ATOM 1400 C PRO A 101 -0.021 -21.994 -4.336 1.00 0.00 C ATOM 1401 O PRO A 101 1.112 -22.407 -4.092 1.00 0.00 O ATOM 1402 CB PRO A 101 0.384 -19.638 -5.098 1.00 0.00 C ATOM 1403 CG PRO A 101 1.589 -19.192 -4.343 1.00 0.00 C ATOM 1404 CD PRO A 101 1.159 -19.076 -2.907 1.00 0.00 C ATOM 0 HA PRO A 101 -1.466 -20.483 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.662 -20.187 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.220 -18.789 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.404 -19.908 -4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.954 -18.236 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.971 -19.325 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.837 -18.063 -2.664 1.00 0.00 H new ATOM 1412 N SER A 102 -0.992 -22.776 -4.797 1.00 0.00 N ATOM 1413 CA SER A 102 -0.777 -24.196 -5.045 1.00 0.00 C ATOM 1414 C SER A 102 0.039 -24.408 -6.317 1.00 0.00 C ATOM 1415 O SER A 102 -0.414 -24.094 -7.418 1.00 0.00 O ATOM 1416 CB SER A 102 -2.118 -24.924 -5.159 1.00 0.00 C ATOM 1417 OG SER A 102 -2.642 -25.230 -3.879 1.00 0.00 O ATOM 0 H SER A 102 -1.935 -22.450 -5.006 1.00 0.00 H new ATOM 0 HA SER A 102 -0.219 -24.606 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.827 -24.303 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.989 -25.842 -5.732 1.00 0.00 H new ATOM 0 HG SER A 102 -3.500 -25.693 -3.979 1.00 0.00 H new ATOM 1423 N ASP A 103 1.244 -24.943 -6.157 1.00 0.00 N ATOM 1424 CA ASP A 103 2.124 -25.198 -7.291 1.00 0.00 C ATOM 1425 C ASP A 103 2.555 -26.661 -7.326 1.00 0.00 C ATOM 1426 O ASP A 103 2.662 -27.313 -6.286 1.00 0.00 O ATOM 1427 CB ASP A 103 3.355 -24.293 -7.223 1.00 0.00 C ATOM 1428 CG ASP A 103 3.995 -24.083 -8.582 1.00 0.00 C ATOM 1429 OD1 ASP A 103 3.530 -23.194 -9.324 1.00 0.00 O ATOM 1430 OD2 ASP A 103 4.960 -24.808 -8.902 1.00 0.00 O ATOM 0 H ASP A 103 1.634 -25.209 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 103 1.571 -24.978 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.070 -23.327 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.087 -24.730 -6.544 1.00 0.00 H new ATOM 1435 N ASP A 104 2.801 -27.172 -8.527 1.00 0.00 N ATOM 1436 CA ASP A 104 3.221 -28.558 -8.698 1.00 0.00 C ATOM 1437 C ASP A 104 4.510 -28.640 -9.510 1.00 0.00 C ATOM 1438 O ASP A 104 4.722 -27.858 -10.435 1.00 0.00 O ATOM 1439 CB ASP A 104 2.118 -29.366 -9.385 1.00 0.00 C ATOM 1440 CG ASP A 104 2.436 -30.847 -9.441 1.00 0.00 C ATOM 1441 OD1 ASP A 104 3.203 -31.322 -8.578 1.00 0.00 O ATOM 1442 OD2 ASP A 104 1.917 -31.532 -10.348 1.00 0.00 O ATOM 0 H ASP A 104 2.717 -26.647 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 104 3.408 -28.979 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.178 -29.219 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.973 -28.990 -10.398 1.00 0.00 H new ATOM 1447 N ALA A 105 5.367 -29.592 -9.155 1.00 0.00 N ATOM 1448 CA ALA A 105 6.634 -29.776 -9.851 1.00 0.00 C ATOM 1449 C ALA A 105 6.430 -30.481 -11.187 1.00 0.00 C ATOM 1450 O ALA A 105 7.358 -30.595 -11.988 1.00 0.00 O ATOM 1451 CB ALA A 105 7.605 -30.562 -8.981 1.00 0.00 C ATOM 0 H ALA A 105 5.207 -30.247 -8.390 1.00 0.00 H new ATOM 0 HA ALA A 105 7.056 -28.791 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.547 -30.692 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.784 -30.018 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.180 -31.539 -8.752 1.00 0.00 H new TER 1457 ALA A 105