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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -115:sc= 0.892 (180deg=0) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -0.564 K(o=1.6,f=-0.82) USER MOD Set 1.4: A 92 SER OG : rot -170:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -18:sc= 0.653 USER MOD Single : A 3 SER OG : rot 180:sc= -0.139 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-4.4!) 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 48:sc= 1.16 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc=-0.00521 (180deg=-0.121) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.31) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -0.126 (180deg=-0.662) USER MOD Single : A 63 ASN : amide:sc= -0.0475 K(o=-0.047,f=-1.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -51:sc= -0.414 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.087) USER MOD Single : A 77 ASN : amide:sc= -1.16! C(o=-1.2!,f=-5.9!) USER MOD Single : A 78 TYR OH : rot -6:sc= 0.798 USER MOD Single : A 85 ASN : amide:sc= -4.98 K(o=-5,f=-8.3!) USER MOD Single : A 94 TYR OH : rot 50:sc= -2.83 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.893 37.669 -7.292 1.00 0.00 N ATOM 2 CA GLY A 1 -13.467 37.415 -7.375 1.00 0.00 C ATOM 3 C GLY A 1 -13.129 35.947 -7.215 1.00 0.00 C ATOM 4 O GLY A 1 -12.536 35.339 -8.107 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.072 38.687 -7.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.383 37.144 -8.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.248 37.358 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.094 37.768 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.953 37.989 -6.604 1.00 0.00 H new ATOM 8 N SER A 2 -13.506 35.374 -6.077 1.00 0.00 N ATOM 9 CA SER A 2 -13.234 33.968 -5.801 1.00 0.00 C ATOM 10 C SER A 2 -14.195 33.425 -4.748 1.00 0.00 C ATOM 11 O SER A 2 -14.472 34.085 -3.745 1.00 0.00 O ATOM 12 CB SER A 2 -11.789 33.788 -5.330 1.00 0.00 C ATOM 13 OG SER A 2 -10.873 34.246 -6.310 1.00 0.00 O ATOM 0 H SER A 2 -14.001 35.862 -5.330 1.00 0.00 H new ATOM 0 HA SER A 2 -13.380 33.408 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.635 34.335 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.601 32.736 -5.116 1.00 0.00 H new ATOM 0 HG SER A 2 -11.328 34.317 -7.175 1.00 0.00 H new ATOM 19 N SER A 3 -14.700 32.219 -4.983 1.00 0.00 N ATOM 20 CA SER A 3 -15.634 31.587 -4.056 1.00 0.00 C ATOM 21 C SER A 3 -14.936 31.211 -2.754 1.00 0.00 C ATOM 22 O SER A 3 -15.364 31.603 -1.670 1.00 0.00 O ATOM 23 CB SER A 3 -16.255 30.343 -4.695 1.00 0.00 C ATOM 24 OG SER A 3 -15.255 29.419 -5.087 1.00 0.00 O ATOM 0 H SER A 3 -14.479 31.659 -5.806 1.00 0.00 H new ATOM 0 HA SER A 3 -16.424 32.303 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.936 29.869 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.847 30.633 -5.563 1.00 0.00 H new ATOM 0 HG SER A 3 -15.677 28.632 -5.491 1.00 0.00 H new ATOM 30 N GLY A 4 -13.855 30.444 -2.869 1.00 0.00 N ATOM 31 CA GLY A 4 -13.113 30.026 -1.694 1.00 0.00 C ATOM 32 C GLY A 4 -11.679 29.654 -2.015 1.00 0.00 C ATOM 33 O GLY A 4 -10.754 30.048 -1.305 1.00 0.00 O ATOM 0 H GLY A 4 -13.480 30.105 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.120 30.830 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.613 29.172 -1.237 1.00 0.00 H new ATOM 37 N SER A 5 -11.493 28.892 -3.088 1.00 0.00 N ATOM 38 CA SER A 5 -10.161 28.462 -3.500 1.00 0.00 C ATOM 39 C SER A 5 -9.290 28.161 -2.285 1.00 0.00 C ATOM 40 O SER A 5 -8.101 28.482 -2.265 1.00 0.00 O ATOM 41 CB SER A 5 -9.500 29.537 -4.363 1.00 0.00 C ATOM 42 OG SER A 5 -9.403 30.766 -3.663 1.00 0.00 O ATOM 0 H SER A 5 -12.248 28.559 -3.688 1.00 0.00 H new ATOM 0 HA SER A 5 -10.264 27.549 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.506 29.206 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.077 29.680 -5.277 1.00 0.00 H new ATOM 0 HG SER A 5 -8.975 31.436 -4.236 1.00 0.00 H new ATOM 48 N SER A 6 -9.888 27.541 -1.273 1.00 0.00 N ATOM 49 CA SER A 6 -9.168 27.199 -0.053 1.00 0.00 C ATOM 50 C SER A 6 -8.938 25.694 0.039 1.00 0.00 C ATOM 51 O SER A 6 -9.846 24.899 -0.205 1.00 0.00 O ATOM 52 CB SER A 6 -9.944 27.682 1.175 1.00 0.00 C ATOM 53 OG SER A 6 -9.414 27.125 2.365 1.00 0.00 O ATOM 0 H SER A 6 -10.870 27.265 -1.274 1.00 0.00 H new ATOM 0 HA SER A 6 -8.199 27.697 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.904 28.770 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.994 27.406 1.077 1.00 0.00 H new ATOM 0 HG SER A 6 -9.926 27.450 3.135 1.00 0.00 H new ATOM 59 N GLY A 7 -7.715 25.308 0.392 1.00 0.00 N ATOM 60 CA GLY A 7 -7.386 23.899 0.509 1.00 0.00 C ATOM 61 C GLY A 7 -6.359 23.457 -0.514 1.00 0.00 C ATOM 62 O GLY A 7 -6.710 23.076 -1.631 1.00 0.00 O ATOM 0 H GLY A 7 -6.947 25.946 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.005 23.700 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.293 23.306 0.389 1.00 0.00 H new ATOM 66 N GLU A 8 -5.086 23.510 -0.134 1.00 0.00 N ATOM 67 CA GLU A 8 -4.005 23.114 -1.029 1.00 0.00 C ATOM 68 C GLU A 8 -4.030 21.609 -1.280 1.00 0.00 C ATOM 69 O GLU A 8 -4.029 21.159 -2.425 1.00 0.00 O ATOM 70 CB GLU A 8 -2.652 23.522 -0.443 1.00 0.00 C ATOM 71 CG GLU A 8 -2.226 24.932 -0.816 1.00 0.00 C ATOM 72 CD GLU A 8 -2.223 25.162 -2.315 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.520 24.414 -3.028 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.922 26.088 -2.776 1.00 0.00 O ATOM 0 H GLU A 8 -4.778 23.823 0.787 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.150 23.626 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.697 23.441 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.891 22.820 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.899 25.648 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.228 25.123 -0.421 1.00 0.00 H new ATOM 81 N GLY A 9 -4.053 20.835 -0.198 1.00 0.00 N ATOM 82 CA GLY A 9 -4.077 19.389 -0.321 1.00 0.00 C ATOM 83 C GLY A 9 -3.282 18.701 0.770 1.00 0.00 C ATOM 84 O GLY A 9 -2.555 19.350 1.521 1.00 0.00 O ATOM 0 H GLY A 9 -4.055 21.184 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.110 19.042 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.676 19.104 -1.294 1.00 0.00 H new ATOM 88 N GLY A 10 -3.421 17.382 0.860 1.00 0.00 N ATOM 89 CA GLY A 10 -2.705 16.627 1.872 1.00 0.00 C ATOM 90 C GLY A 10 -2.844 15.129 1.685 1.00 0.00 C ATOM 91 O GLY A 10 -2.840 14.634 0.559 1.00 0.00 O ATOM 0 H GLY A 10 -4.017 16.822 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.649 16.897 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.078 16.903 2.858 1.00 0.00 H new ATOM 95 N ALA A 11 -2.967 14.406 2.793 1.00 0.00 N ATOM 96 CA ALA A 11 -3.109 12.956 2.747 1.00 0.00 C ATOM 97 C ALA A 11 -4.407 12.553 2.057 1.00 0.00 C ATOM 98 O ALA A 11 -4.395 11.812 1.073 1.00 0.00 O ATOM 99 CB ALA A 11 -3.054 12.375 4.152 1.00 0.00 C ATOM 0 H ALA A 11 -2.971 14.801 3.734 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.279 12.553 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.161 11.291 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.098 12.624 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.864 12.793 4.750 1.00 0.00 H new ATOM 105 N HIS A 12 -5.527 13.045 2.578 1.00 0.00 N ATOM 106 CA HIS A 12 -6.834 12.736 2.011 1.00 0.00 C ATOM 107 C HIS A 12 -6.764 12.667 0.488 1.00 0.00 C ATOM 108 O HIS A 12 -7.275 11.730 -0.126 1.00 0.00 O ATOM 109 CB HIS A 12 -7.861 13.786 2.438 1.00 0.00 C ATOM 110 CG HIS A 12 -7.502 15.179 2.020 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.445 15.878 2.564 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.066 16.000 1.105 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.376 17.072 2.002 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.348 17.172 1.112 1.00 0.00 N ATOM 0 H HIS A 12 -5.555 13.659 3.392 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.144 11.761 2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.831 13.527 2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.969 13.757 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.921 15.776 0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.649 17.837 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.535 17.986 0.526 1.00 0.00 H new ATOM 122 N LYS A 13 -6.129 13.665 -0.116 1.00 0.00 N ATOM 123 CA LYS A 13 -5.991 13.718 -1.566 1.00 0.00 C ATOM 124 C LYS A 13 -5.316 12.457 -2.095 1.00 0.00 C ATOM 125 O LYS A 13 -5.785 11.849 -3.059 1.00 0.00 O ATOM 126 CB LYS A 13 -5.182 14.952 -1.977 1.00 0.00 C ATOM 127 CG LYS A 13 -5.892 16.265 -1.697 1.00 0.00 C ATOM 128 CD LYS A 13 -6.857 16.626 -2.814 1.00 0.00 C ATOM 129 CE LYS A 13 -8.166 15.864 -2.688 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.311 16.631 -3.251 1.00 0.00 N ATOM 0 H LYS A 13 -5.701 14.449 0.377 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.989 13.784 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.229 14.944 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.956 14.890 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.435 16.192 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.156 17.060 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.055 17.698 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.398 16.406 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.081 14.908 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.358 15.643 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.185 16.077 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.409 17.533 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.140 16.820 -4.259 1.00 0.00 H new ATOM 144 N VAL A 14 -4.217 12.067 -1.459 1.00 0.00 N ATOM 145 CA VAL A 14 -3.480 10.876 -1.864 1.00 0.00 C ATOM 146 C VAL A 14 -4.366 9.636 -1.809 1.00 0.00 C ATOM 147 O VAL A 14 -5.085 9.417 -0.834 1.00 0.00 O ATOM 148 CB VAL A 14 -2.245 10.649 -0.973 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.491 9.402 -1.412 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.337 11.870 -1.002 1.00 0.00 C ATOM 0 H VAL A 14 -3.817 12.559 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.153 11.041 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.581 10.498 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.621 9.258 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.146 8.534 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.164 9.519 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.469 11.693 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.007 12.054 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.884 12.739 -0.635 1.00 0.00 H new ATOM 160 N ARG A 15 -4.311 8.829 -2.863 1.00 0.00 N ATOM 161 CA ARG A 15 -5.109 7.611 -2.934 1.00 0.00 C ATOM 162 C ARG A 15 -4.308 6.471 -3.557 1.00 0.00 C ATOM 163 O ARG A 15 -3.444 6.696 -4.404 1.00 0.00 O ATOM 164 CB ARG A 15 -6.382 7.857 -3.748 1.00 0.00 C ATOM 165 CG ARG A 15 -6.118 8.416 -5.136 1.00 0.00 C ATOM 166 CD ARG A 15 -6.046 9.935 -5.120 1.00 0.00 C ATOM 167 NE ARG A 15 -6.207 10.506 -6.455 1.00 0.00 N ATOM 168 CZ ARG A 15 -6.434 11.795 -6.681 1.00 0.00 C ATOM 169 NH1 ARG A 15 -6.526 12.643 -5.665 1.00 0.00 N ATOM 170 NH2 ARG A 15 -6.570 12.237 -7.924 1.00 0.00 N ATOM 0 H ARG A 15 -3.723 8.996 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.383 7.327 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.930 6.920 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.024 8.549 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.182 8.010 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.908 8.095 -5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.821 10.328 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.088 10.248 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.141 9.880 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.422 12.306 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.700 13.632 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.500 11.587 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.744 13.227 -8.097 1.00 0.00 H new ATOM 184 N ALA A 16 -4.600 5.247 -3.130 1.00 0.00 N ATOM 185 CA ALA A 16 -3.908 4.073 -3.646 1.00 0.00 C ATOM 186 C ALA A 16 -4.899 2.993 -4.067 1.00 0.00 C ATOM 187 O ALA A 16 -5.952 2.828 -3.452 1.00 0.00 O ATOM 188 CB ALA A 16 -2.944 3.528 -2.604 1.00 0.00 C ATOM 0 H ALA A 16 -5.311 5.043 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.342 4.374 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.434 2.651 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.209 4.293 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.497 3.249 -1.707 1.00 0.00 H new ATOM 194 N GLY A 17 -4.555 2.258 -5.121 1.00 0.00 N ATOM 195 CA GLY A 17 -5.425 1.203 -5.606 1.00 0.00 C ATOM 196 C GLY A 17 -4.830 0.455 -6.783 1.00 0.00 C ATOM 197 O GLY A 17 -3.716 0.747 -7.213 1.00 0.00 O ATOM 0 H GLY A 17 -3.689 2.375 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.625 0.501 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.383 1.632 -5.899 1.00 0.00 H new ATOM 201 N GLY A 18 -5.576 -0.515 -7.303 1.00 0.00 N ATOM 202 CA GLY A 18 -5.097 -1.294 -8.431 1.00 0.00 C ATOM 203 C GLY A 18 -4.543 -2.640 -8.012 1.00 0.00 C ATOM 204 O GLY A 18 -4.642 -3.043 -6.853 1.00 0.00 O ATOM 0 H GLY A 18 -6.502 -0.775 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.913 -1.445 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.323 -0.733 -8.954 1.00 0.00 H new ATOM 208 N PRO A 19 -3.945 -3.363 -8.971 1.00 0.00 N ATOM 209 CA PRO A 19 -3.362 -4.685 -8.719 1.00 0.00 C ATOM 210 C PRO A 19 -2.107 -4.610 -7.856 1.00 0.00 C ATOM 211 O PRO A 19 -1.188 -3.844 -8.145 1.00 0.00 O ATOM 212 CB PRO A 19 -3.017 -5.193 -10.121 1.00 0.00 C ATOM 213 CG PRO A 19 -2.834 -3.960 -10.937 1.00 0.00 C ATOM 214 CD PRO A 19 -3.791 -2.945 -10.374 1.00 0.00 C ATOM 0 HA PRO A 19 -4.045 -5.334 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.111 -5.799 -10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.814 -5.819 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.806 -3.602 -10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.044 -4.153 -11.989 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.394 -1.933 -10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.744 -2.954 -10.903 1.00 0.00 H new ATOM 222 N GLY A 20 -2.074 -5.411 -6.796 1.00 0.00 N ATOM 223 CA GLY A 20 -0.927 -5.420 -5.908 1.00 0.00 C ATOM 224 C GLY A 20 -1.318 -5.252 -4.453 1.00 0.00 C ATOM 225 O GLY A 20 -0.476 -5.356 -3.560 1.00 0.00 O ATOM 0 H GLY A 20 -2.822 -6.054 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.385 -6.358 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.245 -4.619 -6.192 1.00 0.00 H new ATOM 229 N LEU A 21 -2.598 -4.991 -4.213 1.00 0.00 N ATOM 230 CA LEU A 21 -3.100 -4.806 -2.856 1.00 0.00 C ATOM 231 C LEU A 21 -4.327 -5.677 -2.606 1.00 0.00 C ATOM 232 O LEU A 21 -4.433 -6.333 -1.570 1.00 0.00 O ATOM 233 CB LEU A 21 -3.446 -3.337 -2.614 1.00 0.00 C ATOM 234 CG LEU A 21 -2.261 -2.378 -2.496 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.710 -0.942 -2.723 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.593 -2.521 -1.136 1.00 0.00 C ATOM 0 H LEU A 21 -3.307 -4.903 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.316 -5.107 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.084 -2.996 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.035 -3.269 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.533 -2.635 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.853 -0.275 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.142 -0.849 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.458 -0.672 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.752 -1.831 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.313 -2.292 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.235 -3.543 -1.012 1.00 0.00 H new ATOM 248 N GLU A 22 -5.249 -5.680 -3.563 1.00 0.00 N ATOM 249 CA GLU A 22 -6.469 -6.473 -3.447 1.00 0.00 C ATOM 250 C GLU A 22 -6.161 -7.867 -2.907 1.00 0.00 C ATOM 251 O GLU A 22 -6.970 -8.460 -2.193 1.00 0.00 O ATOM 252 CB GLU A 22 -7.164 -6.581 -4.805 1.00 0.00 C ATOM 253 CG GLU A 22 -6.478 -7.538 -5.766 1.00 0.00 C ATOM 254 CD GLU A 22 -5.323 -6.891 -6.506 1.00 0.00 C ATOM 255 OE1 GLU A 22 -4.846 -5.831 -6.050 1.00 0.00 O ATOM 256 OE2 GLU A 22 -4.898 -7.443 -7.542 1.00 0.00 O ATOM 0 H GLU A 22 -5.175 -5.143 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.135 -5.970 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.192 -6.908 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.208 -5.592 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.112 -8.403 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.207 -7.907 -6.488 1.00 0.00 H new ATOM 263 N ARG A 23 -4.987 -8.384 -3.254 1.00 0.00 N ATOM 264 CA ARG A 23 -4.573 -9.708 -2.807 1.00 0.00 C ATOM 265 C ARG A 23 -3.052 -9.816 -2.763 1.00 0.00 C ATOM 266 O ARG A 23 -2.343 -8.838 -2.993 1.00 0.00 O ATOM 267 CB ARG A 23 -5.146 -10.784 -3.732 1.00 0.00 C ATOM 268 CG ARG A 23 -6.476 -11.347 -3.262 1.00 0.00 C ATOM 269 CD ARG A 23 -7.207 -12.063 -4.387 1.00 0.00 C ATOM 270 NE ARG A 23 -7.750 -11.130 -5.369 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.800 -10.349 -5.139 1.00 0.00 C ATOM 272 NH1 ARG A 23 -9.416 -10.389 -3.965 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.235 -9.524 -6.083 1.00 0.00 N ATOM 0 H ARG A 23 -4.306 -7.906 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.960 -9.862 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.272 -10.364 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.426 -11.598 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.308 -12.040 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.099 -10.539 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.523 -12.753 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.017 -12.662 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.299 -11.074 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.084 -11.020 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.222 -9.788 -3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.763 -9.489 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.041 -8.925 -5.905 1.00 0.00 H new ATOM 287 N GLY A 24 -2.558 -11.014 -2.463 1.00 0.00 N ATOM 288 CA GLY A 24 -1.124 -11.228 -2.393 1.00 0.00 C ATOM 289 C GLY A 24 -0.760 -12.698 -2.334 1.00 0.00 C ATOM 290 O GLY A 24 -1.606 -13.542 -2.045 1.00 0.00 O ATOM 0 H GLY A 24 -3.125 -11.839 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.649 -10.774 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.727 -10.723 -1.513 1.00 0.00 H new ATOM 294 N GLU A 25 0.505 -13.005 -2.609 1.00 0.00 N ATOM 295 CA GLU A 25 0.977 -14.384 -2.589 1.00 0.00 C ATOM 296 C GLU A 25 2.182 -14.532 -1.663 1.00 0.00 C ATOM 297 O GLU A 25 2.974 -13.604 -1.505 1.00 0.00 O ATOM 298 CB GLU A 25 1.347 -14.842 -4.001 1.00 0.00 C ATOM 299 CG GLU A 25 0.162 -15.351 -4.805 1.00 0.00 C ATOM 300 CD GLU A 25 -0.552 -14.244 -5.555 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.480 -13.080 -5.108 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.184 -14.542 -6.590 1.00 0.00 O ATOM 0 H GLU A 25 1.220 -12.318 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 25 0.170 -15.012 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.807 -14.011 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.096 -15.631 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.506 -16.103 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.542 -15.844 -4.135 1.00 0.00 H new ATOM 309 N ALA A 26 2.311 -15.706 -1.052 1.00 0.00 N ATOM 310 CA ALA A 26 3.418 -15.977 -0.144 1.00 0.00 C ATOM 311 C ALA A 26 4.713 -16.213 -0.912 1.00 0.00 C ATOM 312 O ALA A 26 4.768 -17.048 -1.814 1.00 0.00 O ATOM 313 CB ALA A 26 3.097 -17.175 0.736 1.00 0.00 C ATOM 0 H ALA A 26 1.662 -16.484 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 26 3.558 -15.102 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.933 -17.366 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.200 -16.968 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.928 -18.051 0.110 1.00 0.00 H new ATOM 319 N GLY A 27 5.755 -15.470 -0.550 1.00 0.00 N ATOM 320 CA GLY A 27 7.036 -15.614 -1.216 1.00 0.00 C ATOM 321 C GLY A 27 7.037 -15.009 -2.606 1.00 0.00 C ATOM 322 O GLY A 27 7.969 -15.221 -3.383 1.00 0.00 O ATOM 0 H GLY A 27 5.734 -14.771 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.810 -15.137 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.290 -16.672 -1.283 1.00 0.00 H new ATOM 326 N VAL A 28 5.989 -14.255 -2.923 1.00 0.00 N ATOM 327 CA VAL A 28 5.873 -13.618 -4.229 1.00 0.00 C ATOM 328 C VAL A 28 5.999 -12.103 -4.116 1.00 0.00 C ATOM 329 O VAL A 28 5.323 -11.457 -3.315 1.00 0.00 O ATOM 330 CB VAL A 28 4.531 -13.961 -4.904 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.385 -13.209 -6.218 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.414 -15.461 -5.122 1.00 0.00 C ATOM 0 H VAL A 28 5.208 -14.071 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 28 6.689 -14.003 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 28 3.722 -13.648 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.431 -13.465 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.421 -12.136 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.198 -13.487 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.460 -15.686 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.229 -15.800 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.469 -15.974 -4.162 1.00 0.00 H new ATOM 342 N PRO A 29 6.886 -11.520 -4.936 1.00 0.00 N ATOM 343 CA PRO A 29 7.121 -10.073 -4.948 1.00 0.00 C ATOM 344 C PRO A 29 5.938 -9.297 -5.516 1.00 0.00 C ATOM 345 O PRO A 29 5.729 -9.267 -6.729 1.00 0.00 O ATOM 346 CB PRO A 29 8.346 -9.920 -5.853 1.00 0.00 C ATOM 347 CG PRO A 29 8.312 -11.116 -6.741 1.00 0.00 C ATOM 348 CD PRO A 29 7.727 -12.228 -5.916 1.00 0.00 C ATOM 0 HA PRO A 29 7.264 -9.675 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.299 -8.997 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.267 -9.885 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.706 -10.927 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.313 -11.373 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.141 -12.915 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.503 -12.817 -5.428 1.00 0.00 H new ATOM 356 N ALA A 30 5.167 -8.672 -4.633 1.00 0.00 N ATOM 357 CA ALA A 30 4.006 -7.895 -5.048 1.00 0.00 C ATOM 358 C ALA A 30 4.324 -6.403 -5.073 1.00 0.00 C ATOM 359 O ALA A 30 4.559 -5.792 -4.031 1.00 0.00 O ATOM 360 CB ALA A 30 2.829 -8.169 -4.124 1.00 0.00 C ATOM 0 H ALA A 30 5.325 -8.689 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 30 3.739 -8.201 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.969 -7.582 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.578 -9.229 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.095 -7.893 -3.104 1.00 0.00 H new ATOM 366 N GLU A 31 4.331 -5.825 -6.269 1.00 0.00 N ATOM 367 CA GLU A 31 4.624 -4.405 -6.429 1.00 0.00 C ATOM 368 C GLU A 31 3.389 -3.646 -6.907 1.00 0.00 C ATOM 369 O GLU A 31 2.713 -4.067 -7.846 1.00 0.00 O ATOM 370 CB GLU A 31 5.774 -4.206 -7.418 1.00 0.00 C ATOM 371 CG GLU A 31 7.037 -4.963 -7.044 1.00 0.00 C ATOM 372 CD GLU A 31 8.150 -4.777 -8.056 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.654 -3.640 -8.180 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.517 -5.766 -8.724 1.00 0.00 O ATOM 0 H GLU A 31 4.137 -6.317 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 31 4.919 -4.009 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.449 -4.525 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.004 -3.143 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.381 -4.627 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.807 -6.025 -6.954 1.00 0.00 H new ATOM 381 N PHE A 32 3.100 -2.526 -6.253 1.00 0.00 N ATOM 382 CA PHE A 32 1.947 -1.708 -6.610 1.00 0.00 C ATOM 383 C PHE A 32 2.378 -0.296 -6.991 1.00 0.00 C ATOM 384 O PHE A 32 3.348 0.236 -6.450 1.00 0.00 O ATOM 385 CB PHE A 32 0.953 -1.654 -5.447 1.00 0.00 C ATOM 386 CG PHE A 32 1.560 -1.164 -4.164 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.622 0.192 -3.885 1.00 0.00 C ATOM 388 CD2 PHE A 32 2.070 -2.058 -3.236 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.179 0.647 -2.704 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.628 -1.609 -2.054 1.00 0.00 C ATOM 391 CZ PHE A 32 2.684 -0.255 -1.788 1.00 0.00 C ATOM 0 H PHE A 32 3.648 -2.164 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 32 1.462 -2.166 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.122 -1.003 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.538 -2.649 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.231 0.902 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.031 -3.118 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.219 1.706 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.020 -2.317 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.122 0.098 -0.866 1.00 0.00 H new ATOM 401 N SER A 33 1.651 0.307 -7.927 1.00 0.00 N ATOM 402 CA SER A 33 1.960 1.657 -8.384 1.00 0.00 C ATOM 403 C SER A 33 1.118 2.689 -7.641 1.00 0.00 C ATOM 404 O SER A 33 -0.112 2.652 -7.688 1.00 0.00 O ATOM 405 CB SER A 33 1.720 1.774 -9.891 1.00 0.00 C ATOM 406 OG SER A 33 2.440 0.782 -10.601 1.00 0.00 O ATOM 0 H SER A 33 0.844 -0.118 -8.383 1.00 0.00 H new ATOM 0 HA SER A 33 3.011 1.854 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.655 1.675 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.022 2.763 -10.235 1.00 0.00 H new ATOM 0 HG SER A 33 2.268 0.877 -11.561 1.00 0.00 H new ATOM 412 N ILE A 34 1.789 3.608 -6.956 1.00 0.00 N ATOM 413 CA ILE A 34 1.103 4.650 -6.203 1.00 0.00 C ATOM 414 C ILE A 34 1.544 6.037 -6.658 1.00 0.00 C ATOM 415 O ILE A 34 2.728 6.372 -6.605 1.00 0.00 O ATOM 416 CB ILE A 34 1.358 4.513 -4.690 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.731 3.889 -4.438 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.263 3.680 -4.042 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.287 4.188 -3.063 1.00 0.00 C ATOM 0 H ILE A 34 2.807 3.652 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 34 0.037 4.528 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 34 1.344 5.506 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.659 2.809 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.430 4.253 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.457 3.592 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.702 4.163 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.248 2.687 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.263 3.714 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.391 5.266 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.608 3.800 -2.304 1.00 0.00 H new ATOM 431 N TRP A 35 0.586 6.841 -7.104 1.00 0.00 N ATOM 432 CA TRP A 35 0.875 8.193 -7.568 1.00 0.00 C ATOM 433 C TRP A 35 0.044 9.219 -6.806 1.00 0.00 C ATOM 434 O TRP A 35 -1.154 9.030 -6.595 1.00 0.00 O ATOM 435 CB TRP A 35 0.602 8.310 -9.068 1.00 0.00 C ATOM 436 CG TRP A 35 1.225 7.209 -9.872 1.00 0.00 C ATOM 437 CD1 TRP A 35 2.499 6.731 -9.759 1.00 0.00 C ATOM 438 CD2 TRP A 35 0.600 6.451 -10.914 1.00 0.00 C ATOM 439 NE1 TRP A 35 2.704 5.722 -10.668 1.00 0.00 N ATOM 440 CE2 TRP A 35 1.555 5.530 -11.388 1.00 0.00 C ATOM 441 CE3 TRP A 35 -0.672 6.458 -11.490 1.00 0.00 C ATOM 442 CZ2 TRP A 35 1.275 4.628 -12.412 1.00 0.00 C ATOM 443 CZ3 TRP A 35 -0.949 5.563 -12.506 1.00 0.00 C ATOM 444 CH2 TRP A 35 0.020 4.657 -12.958 1.00 0.00 C ATOM 0 H TRP A 35 -0.399 6.580 -7.154 1.00 0.00 H new ATOM 0 HA TRP A 35 1.930 8.396 -7.382 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.475 8.308 -9.235 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.978 9.269 -9.425 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.237 7.093 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 35 3.572 5.200 -10.788 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.426 7.151 -11.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.021 3.931 -12.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.929 5.562 -12.959 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.228 3.969 -13.752 1.00 0.00 H new ATOM 455 N THR A 36 0.687 10.308 -6.393 1.00 0.00 N ATOM 456 CA THR A 36 0.006 11.363 -5.654 1.00 0.00 C ATOM 457 C THR A 36 -0.553 12.421 -6.597 1.00 0.00 C ATOM 458 O THR A 36 0.182 13.272 -7.098 1.00 0.00 O ATOM 459 CB THR A 36 0.953 12.041 -4.643 1.00 0.00 C ATOM 460 OG1 THR A 36 1.994 12.735 -5.338 1.00 0.00 O ATOM 461 CG2 THR A 36 1.561 11.014 -3.700 1.00 0.00 C ATOM 0 H THR A 36 1.678 10.481 -6.558 1.00 0.00 H new ATOM 0 HA THR A 36 -0.815 10.892 -5.113 1.00 0.00 H new ATOM 0 HB THR A 36 0.374 12.752 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.604 13.276 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.225 11.515 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.766 10.508 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.128 10.282 -4.276 1.00 0.00 H new ATOM 469 N ARG A 37 -1.860 12.364 -6.834 1.00 0.00 N ATOM 470 CA ARG A 37 -2.519 13.318 -7.718 1.00 0.00 C ATOM 471 C ARG A 37 -3.114 14.476 -6.921 1.00 0.00 C ATOM 472 O ARG A 37 -3.874 14.265 -5.977 1.00 0.00 O ATOM 473 CB ARG A 37 -3.617 12.624 -8.525 1.00 0.00 C ATOM 474 CG ARG A 37 -3.085 11.733 -9.637 1.00 0.00 C ATOM 475 CD ARG A 37 -2.900 12.509 -10.932 1.00 0.00 C ATOM 476 NE ARG A 37 -4.136 13.154 -11.364 1.00 0.00 N ATOM 477 CZ ARG A 37 -4.224 13.928 -12.440 1.00 0.00 C ATOM 478 NH1 ARG A 37 -3.152 14.152 -13.188 1.00 0.00 N ATOM 479 NH2 ARG A 37 -5.385 14.480 -12.769 1.00 0.00 N ATOM 0 H ARG A 37 -2.483 11.667 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.771 13.717 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.228 12.024 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.271 13.381 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.133 11.299 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.774 10.905 -9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.126 13.264 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.551 11.833 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.978 13.002 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.258 13.730 -12.937 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.222 14.747 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.211 14.310 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.451 15.074 -13.595 1.00 0.00 H new ATOM 493 N GLU A 38 -2.761 15.698 -7.310 1.00 0.00 N ATOM 494 CA GLU A 38 -3.259 16.887 -6.630 1.00 0.00 C ATOM 495 C GLU A 38 -2.848 16.887 -5.160 1.00 0.00 C ATOM 496 O GLU A 38 -3.659 17.170 -4.279 1.00 0.00 O ATOM 497 CB GLU A 38 -4.783 16.968 -6.746 1.00 0.00 C ATOM 498 CG GLU A 38 -5.320 18.389 -6.731 1.00 0.00 C ATOM 499 CD GLU A 38 -5.163 19.085 -8.069 1.00 0.00 C ATOM 500 OE1 GLU A 38 -5.933 18.766 -8.998 1.00 0.00 O ATOM 501 OE2 GLU A 38 -4.269 19.950 -8.186 1.00 0.00 O ATOM 0 H GLU A 38 -2.133 15.889 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.819 17.760 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.095 16.480 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.232 16.410 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.375 18.372 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.799 18.962 -5.964 1.00 0.00 H new ATOM 508 N ALA A 39 -1.585 16.566 -4.905 1.00 0.00 N ATOM 509 CA ALA A 39 -1.066 16.530 -3.543 1.00 0.00 C ATOM 510 C ALA A 39 0.165 17.419 -3.401 1.00 0.00 C ATOM 511 O ALA A 39 0.636 18.003 -4.376 1.00 0.00 O ATOM 512 CB ALA A 39 -0.735 15.100 -3.143 1.00 0.00 C ATOM 0 H ALA A 39 -0.901 16.327 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.838 16.914 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.348 15.087 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.636 14.489 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.017 14.697 -3.821 1.00 0.00 H new ATOM 518 N GLY A 40 0.680 17.517 -2.180 1.00 0.00 N ATOM 519 CA GLY A 40 1.852 18.338 -1.932 1.00 0.00 C ATOM 520 C GLY A 40 3.099 17.512 -1.694 1.00 0.00 C ATOM 521 O GLY A 40 3.180 16.762 -0.721 1.00 0.00 O ATOM 0 H GLY A 40 0.307 17.043 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.015 18.999 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.670 18.973 -1.065 1.00 0.00 H new ATOM 525 N ALA A 41 4.075 17.647 -2.587 1.00 0.00 N ATOM 526 CA ALA A 41 5.326 16.907 -2.469 1.00 0.00 C ATOM 527 C ALA A 41 5.713 16.713 -1.007 1.00 0.00 C ATOM 528 O ALA A 41 6.193 17.639 -0.354 1.00 0.00 O ATOM 529 CB ALA A 41 6.436 17.624 -3.222 1.00 0.00 C ATOM 0 H ALA A 41 4.023 18.262 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 41 5.181 15.922 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.364 17.061 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.168 17.704 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.572 18.622 -2.805 1.00 0.00 H new ATOM 535 N GLY A 42 5.501 15.503 -0.499 1.00 0.00 N ATOM 536 CA GLY A 42 5.834 15.211 0.884 1.00 0.00 C ATOM 537 C GLY A 42 6.465 13.843 1.051 1.00 0.00 C ATOM 538 O GLY A 42 6.573 13.079 0.092 1.00 0.00 O ATOM 0 H GLY A 42 5.105 14.720 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.519 15.972 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.931 15.268 1.492 1.00 0.00 H new ATOM 542 N GLY A 43 6.886 13.532 2.274 1.00 0.00 N ATOM 543 CA GLY A 43 7.506 12.248 2.542 1.00 0.00 C ATOM 544 C GLY A 43 6.517 11.101 2.478 1.00 0.00 C ATOM 545 O GLY A 43 5.304 11.318 2.452 1.00 0.00 O ATOM 0 H GLY A 43 6.808 14.147 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.304 12.076 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.968 12.270 3.529 1.00 0.00 H new ATOM 549 N LEU A 44 7.033 9.878 2.451 1.00 0.00 N ATOM 550 CA LEU A 44 6.186 8.691 2.388 1.00 0.00 C ATOM 551 C LEU A 44 6.731 7.586 3.285 1.00 0.00 C ATOM 552 O LEU A 44 7.926 7.289 3.267 1.00 0.00 O ATOM 553 CB LEU A 44 6.084 8.189 0.947 1.00 0.00 C ATOM 554 CG LEU A 44 4.938 8.766 0.114 1.00 0.00 C ATOM 555 CD1 LEU A 44 5.032 8.289 -1.326 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.596 8.383 0.719 1.00 0.00 C ATOM 0 H LEU A 44 8.034 9.681 2.472 1.00 0.00 H new ATOM 0 HA LEU A 44 5.192 8.965 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.023 8.410 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.981 7.104 0.968 1.00 0.00 H new ATOM 0 HG LEU A 44 5.020 9.853 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.209 8.710 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.980 8.614 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.975 7.201 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.792 8.801 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.504 7.297 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.529 8.776 1.734 1.00 0.00 H new ATOM 568 N SER A 45 5.846 6.977 4.070 1.00 0.00 N ATOM 569 CA SER A 45 6.239 5.905 4.976 1.00 0.00 C ATOM 570 C SER A 45 5.383 4.662 4.749 1.00 0.00 C ATOM 571 O SER A 45 4.161 4.750 4.633 1.00 0.00 O ATOM 572 CB SER A 45 6.114 6.365 6.430 1.00 0.00 C ATOM 573 OG SER A 45 6.446 5.320 7.327 1.00 0.00 O ATOM 0 H SER A 45 4.853 7.208 4.096 1.00 0.00 H new ATOM 0 HA SER A 45 7.279 5.652 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.770 7.218 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.095 6.703 6.621 1.00 0.00 H new ATOM 0 HG SER A 45 6.360 5.641 8.249 1.00 0.00 H new ATOM 579 N ILE A 46 6.036 3.505 4.688 1.00 0.00 N ATOM 580 CA ILE A 46 5.335 2.244 4.477 1.00 0.00 C ATOM 581 C ILE A 46 5.866 1.159 5.407 1.00 0.00 C ATOM 582 O ILE A 46 7.074 0.948 5.506 1.00 0.00 O ATOM 583 CB ILE A 46 5.468 1.765 3.019 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.936 2.830 2.059 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.726 0.451 2.825 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.451 2.680 0.645 1.00 0.00 C ATOM 0 H ILE A 46 7.048 3.415 4.782 1.00 0.00 H new ATOM 0 HA ILE A 46 4.283 2.425 4.697 1.00 0.00 H new ATOM 0 HB ILE A 46 6.523 1.601 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.847 2.785 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.211 3.816 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.829 0.125 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.146 -0.306 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.671 0.591 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.033 3.469 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.538 2.755 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.154 1.708 0.251 1.00 0.00 H new ATOM 598 N ALA A 47 4.953 0.472 6.088 1.00 0.00 N ATOM 599 CA ALA A 47 5.328 -0.594 7.007 1.00 0.00 C ATOM 600 C ALA A 47 4.444 -1.821 6.814 1.00 0.00 C ATOM 601 O ALA A 47 3.218 -1.732 6.881 1.00 0.00 O ATOM 602 CB ALA A 47 5.248 -0.104 8.445 1.00 0.00 C ATOM 0 H ALA A 47 3.949 0.636 6.020 1.00 0.00 H new ATOM 0 HA ALA A 47 6.357 -0.882 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.531 -0.911 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.927 0.738 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.229 0.213 8.665 1.00 0.00 H new ATOM 608 N VAL A 48 5.073 -2.967 6.574 1.00 0.00 N ATOM 609 CA VAL A 48 4.344 -4.213 6.371 1.00 0.00 C ATOM 610 C VAL A 48 4.376 -5.079 7.625 1.00 0.00 C ATOM 611 O VAL A 48 5.389 -5.705 7.933 1.00 0.00 O ATOM 612 CB VAL A 48 4.922 -5.017 5.191 1.00 0.00 C ATOM 613 CG1 VAL A 48 4.229 -6.365 5.073 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.794 -4.228 3.896 1.00 0.00 C ATOM 0 H VAL A 48 6.087 -3.058 6.515 1.00 0.00 H new ATOM 0 HA VAL A 48 3.313 -3.942 6.146 1.00 0.00 H new ATOM 0 HB VAL A 48 5.981 -5.195 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.651 -6.919 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.376 -6.932 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.162 -6.213 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.207 -4.811 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.742 -4.018 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.341 -3.289 3.986 1.00 0.00 H new ATOM 624 N GLU A 49 3.258 -5.109 8.346 1.00 0.00 N ATOM 625 CA GLU A 49 3.160 -5.899 9.567 1.00 0.00 C ATOM 626 C GLU A 49 2.120 -7.006 9.417 1.00 0.00 C ATOM 627 O GLU A 49 1.028 -6.780 8.896 1.00 0.00 O ATOM 628 CB GLU A 49 2.797 -5.001 10.752 1.00 0.00 C ATOM 629 CG GLU A 49 3.862 -3.969 11.082 1.00 0.00 C ATOM 630 CD GLU A 49 3.389 -2.947 12.098 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.273 -2.413 11.926 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.134 -2.681 13.063 1.00 0.00 O ATOM 0 H GLU A 49 2.410 -4.596 8.105 1.00 0.00 H new ATOM 0 HA GLU A 49 4.131 -6.359 9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.860 -4.487 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.623 -5.624 11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.747 -4.476 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.161 -3.456 10.168 1.00 0.00 H new ATOM 639 N GLY A 50 2.469 -8.204 9.877 1.00 0.00 N ATOM 640 CA GLY A 50 1.556 -9.329 9.785 1.00 0.00 C ATOM 641 C GLY A 50 1.967 -10.483 10.677 1.00 0.00 C ATOM 642 O GLY A 50 2.698 -10.311 11.653 1.00 0.00 O ATOM 0 H GLY A 50 3.367 -8.415 10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.553 -9.002 10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.509 -9.672 8.751 1.00 0.00 H new ATOM 646 N PRO A 51 1.488 -11.691 10.346 1.00 0.00 N ATOM 647 CA PRO A 51 1.796 -12.901 11.114 1.00 0.00 C ATOM 648 C PRO A 51 3.252 -13.329 10.965 1.00 0.00 C ATOM 649 O PRO A 51 3.733 -14.196 11.694 1.00 0.00 O ATOM 650 CB PRO A 51 0.865 -13.953 10.505 1.00 0.00 C ATOM 651 CG PRO A 51 0.602 -13.471 9.120 1.00 0.00 C ATOM 652 CD PRO A 51 0.612 -11.969 9.196 1.00 0.00 C ATOM 0 HA PRO A 51 1.653 -12.752 12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.331 -14.938 10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.060 -14.041 11.076 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.364 -13.832 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.358 -13.837 8.755 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.998 -11.523 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.390 -11.568 9.348 1.00 0.00 H new ATOM 660 N SER A 52 3.949 -12.715 10.015 1.00 0.00 N ATOM 661 CA SER A 52 5.351 -13.033 9.768 1.00 0.00 C ATOM 662 C SER A 52 6.110 -11.805 9.275 1.00 0.00 C ATOM 663 O SER A 52 5.543 -10.718 9.153 1.00 0.00 O ATOM 664 CB SER A 52 5.466 -14.163 8.742 1.00 0.00 C ATOM 665 OG SER A 52 6.684 -14.869 8.896 1.00 0.00 O ATOM 0 H SER A 52 3.566 -11.994 9.403 1.00 0.00 H new ATOM 0 HA SER A 52 5.795 -13.358 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.627 -14.849 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.405 -13.751 7.735 1.00 0.00 H new ATOM 0 HG SER A 52 6.733 -15.587 8.230 1.00 0.00 H new ATOM 671 N LYS A 53 7.395 -11.985 8.992 1.00 0.00 N ATOM 672 CA LYS A 53 8.233 -10.894 8.512 1.00 0.00 C ATOM 673 C LYS A 53 8.274 -10.870 6.987 1.00 0.00 C ATOM 674 O LYS A 53 8.545 -11.887 6.348 1.00 0.00 O ATOM 675 CB LYS A 53 9.653 -11.030 9.069 1.00 0.00 C ATOM 676 CG LYS A 53 10.379 -9.704 9.215 1.00 0.00 C ATOM 677 CD LYS A 53 11.661 -9.856 10.015 1.00 0.00 C ATOM 678 CE LYS A 53 11.389 -9.858 11.511 1.00 0.00 C ATOM 679 NZ LYS A 53 11.038 -8.502 12.014 1.00 0.00 N ATOM 0 H LYS A 53 7.879 -12.878 9.087 1.00 0.00 H new ATOM 0 HA LYS A 53 7.801 -9.956 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.607 -11.519 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.231 -11.681 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.610 -9.304 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.726 -8.983 9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.158 -10.784 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.343 -9.042 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.575 -10.549 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.269 -10.224 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.092 -8.492 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.705 -7.804 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.071 -8.261 11.716 1.00 0.00 H new ATOM 693 N ALA A 54 8.006 -9.704 6.410 1.00 0.00 N ATOM 694 CA ALA A 54 8.016 -9.548 4.961 1.00 0.00 C ATOM 695 C ALA A 54 9.127 -8.602 4.518 1.00 0.00 C ATOM 696 O ALA A 54 9.404 -7.602 5.180 1.00 0.00 O ATOM 697 CB ALA A 54 6.665 -9.042 4.475 1.00 0.00 C ATOM 0 H ALA A 54 7.779 -8.853 6.924 1.00 0.00 H new ATOM 0 HA ALA A 54 8.207 -10.525 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.687 -8.930 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.889 -9.756 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.451 -8.077 4.935 1.00 0.00 H new ATOM 703 N GLU A 55 9.761 -8.925 3.396 1.00 0.00 N ATOM 704 CA GLU A 55 10.844 -8.104 2.867 1.00 0.00 C ATOM 705 C GLU A 55 10.296 -6.849 2.194 1.00 0.00 C ATOM 706 O GLU A 55 9.171 -6.841 1.692 1.00 0.00 O ATOM 707 CB GLU A 55 11.680 -8.906 1.867 1.00 0.00 C ATOM 708 CG GLU A 55 12.967 -8.211 1.455 1.00 0.00 C ATOM 709 CD GLU A 55 13.724 -8.973 0.384 1.00 0.00 C ATOM 710 OE1 GLU A 55 14.364 -9.991 0.720 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.676 -8.550 -0.789 1.00 0.00 O ATOM 0 H GLU A 55 9.544 -9.749 2.836 1.00 0.00 H new ATOM 0 HA GLU A 55 11.477 -7.802 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.924 -9.874 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.080 -9.099 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.734 -7.211 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.606 -8.089 2.330 1.00 0.00 H new ATOM 718 N ILE A 56 11.098 -5.789 2.190 1.00 0.00 N ATOM 719 CA ILE A 56 10.694 -4.528 1.579 1.00 0.00 C ATOM 720 C ILE A 56 11.868 -3.858 0.875 1.00 0.00 C ATOM 721 O ILE A 56 12.975 -3.795 1.411 1.00 0.00 O ATOM 722 CB ILE A 56 10.114 -3.558 2.625 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.903 -4.184 3.319 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.732 -2.239 1.969 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.649 -3.633 4.705 1.00 0.00 C ATOM 0 H ILE A 56 12.031 -5.778 2.603 1.00 0.00 H new ATOM 0 HA ILE A 56 9.922 -4.764 0.847 1.00 0.00 H new ATOM 0 HB ILE A 56 10.877 -3.360 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.018 -4.021 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.050 -5.262 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.324 -1.564 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.616 -1.788 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.983 -2.420 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.776 -4.122 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.518 -3.820 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.470 -2.560 4.643 1.00 0.00 H new ATOM 737 N THR A 57 11.619 -3.354 -0.330 1.00 0.00 N ATOM 738 CA THR A 57 12.655 -2.687 -1.108 1.00 0.00 C ATOM 739 C THR A 57 12.098 -1.464 -1.829 1.00 0.00 C ATOM 740 O THR A 57 11.143 -1.567 -2.599 1.00 0.00 O ATOM 741 CB THR A 57 13.280 -3.639 -2.144 1.00 0.00 C ATOM 742 OG1 THR A 57 13.746 -4.828 -1.497 1.00 0.00 O ATOM 743 CG2 THR A 57 14.434 -2.966 -2.871 1.00 0.00 C ATOM 0 H THR A 57 10.709 -3.395 -0.788 1.00 0.00 H new ATOM 0 HA THR A 57 13.426 -2.372 -0.405 1.00 0.00 H new ATOM 0 HB THR A 57 12.514 -3.899 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.141 -5.429 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.859 -3.658 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.070 -2.077 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.200 -2.680 -2.151 1.00 0.00 H new ATOM 751 N PHE A 58 12.703 -0.308 -1.576 1.00 0.00 N ATOM 752 CA PHE A 58 12.267 0.935 -2.202 1.00 0.00 C ATOM 753 C PHE A 58 13.363 1.506 -3.098 1.00 0.00 C ATOM 754 O PHE A 58 14.289 2.163 -2.623 1.00 0.00 O ATOM 755 CB PHE A 58 11.881 1.960 -1.134 1.00 0.00 C ATOM 756 CG PHE A 58 11.028 3.080 -1.659 1.00 0.00 C ATOM 757 CD1 PHE A 58 11.604 4.174 -2.281 1.00 0.00 C ATOM 758 CD2 PHE A 58 9.649 3.036 -1.528 1.00 0.00 C ATOM 759 CE1 PHE A 58 10.820 5.206 -2.764 1.00 0.00 C ATOM 760 CE2 PHE A 58 8.860 4.065 -2.009 1.00 0.00 C ATOM 761 CZ PHE A 58 9.447 5.150 -2.628 1.00 0.00 C ATOM 0 H PHE A 58 13.496 -0.206 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 58 11.395 0.716 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.347 1.453 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.788 2.378 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.677 4.222 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.185 2.189 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.281 6.055 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.786 4.020 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.833 5.954 -3.006 1.00 0.00 H new ATOM 771 N ASP A 59 13.250 1.249 -4.397 1.00 0.00 N ATOM 772 CA ASP A 59 14.228 1.737 -5.360 1.00 0.00 C ATOM 773 C ASP A 59 13.659 2.895 -6.175 1.00 0.00 C ATOM 774 O ASP A 59 12.824 2.694 -7.058 1.00 0.00 O ATOM 775 CB ASP A 59 14.664 0.606 -6.294 1.00 0.00 C ATOM 776 CG ASP A 59 13.497 -0.238 -6.764 1.00 0.00 C ATOM 777 OD1 ASP A 59 12.903 0.101 -7.808 1.00 0.00 O ATOM 778 OD2 ASP A 59 13.177 -1.239 -6.088 1.00 0.00 O ATOM 0 H ASP A 59 12.490 0.705 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 59 15.096 2.097 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.174 1.029 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.384 -0.030 -5.779 1.00 0.00 H new ATOM 783 N ASP A 60 14.115 4.105 -5.873 1.00 0.00 N ATOM 784 CA ASP A 60 13.652 5.294 -6.577 1.00 0.00 C ATOM 785 C ASP A 60 14.738 5.837 -7.500 1.00 0.00 C ATOM 786 O ASP A 60 15.884 6.018 -7.089 1.00 0.00 O ATOM 787 CB ASP A 60 13.229 6.372 -5.578 1.00 0.00 C ATOM 788 CG ASP A 60 14.301 6.655 -4.544 1.00 0.00 C ATOM 789 OD1 ASP A 60 15.411 7.071 -4.938 1.00 0.00 O ATOM 790 OD2 ASP A 60 14.030 6.462 -3.341 1.00 0.00 O ATOM 0 H ASP A 60 14.805 4.288 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 60 12.791 5.014 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.996 7.291 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.315 6.057 -5.073 1.00 0.00 H new ATOM 795 N HIS A 61 14.370 6.095 -8.751 1.00 0.00 N ATOM 796 CA HIS A 61 15.313 6.617 -9.734 1.00 0.00 C ATOM 797 C HIS A 61 15.092 8.111 -9.959 1.00 0.00 C ATOM 798 O HIS A 61 14.064 8.662 -9.569 1.00 0.00 O ATOM 799 CB HIS A 61 15.173 5.864 -11.056 1.00 0.00 C ATOM 800 CG HIS A 61 16.445 5.792 -11.842 1.00 0.00 C ATOM 801 ND1 HIS A 61 17.669 5.516 -11.270 1.00 0.00 N ATOM 802 CD2 HIS A 61 16.680 5.960 -13.166 1.00 0.00 C ATOM 803 CE1 HIS A 61 18.602 5.519 -12.206 1.00 0.00 C ATOM 804 NE2 HIS A 61 18.028 5.786 -13.365 1.00 0.00 N ATOM 0 H HIS A 61 13.425 5.951 -9.108 1.00 0.00 H new ATOM 0 HA HIS A 61 16.321 6.471 -9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.823 4.852 -10.853 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.408 6.350 -11.662 1.00 0.00 H new ATOM 0 HD2 HIS A 61 15.945 6.188 -13.923 1.00 0.00 H new ATOM 0 HE1 HIS A 61 19.655 5.335 -12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.508 5.852 -14.263 1.00 0.00 H new ATOM 812 N LYS A 62 16.066 8.758 -10.589 1.00 0.00 N ATOM 813 CA LYS A 62 15.979 10.187 -10.867 1.00 0.00 C ATOM 814 C LYS A 62 14.815 10.489 -11.805 1.00 0.00 C ATOM 815 O LYS A 62 13.970 11.333 -11.507 1.00 0.00 O ATOM 816 CB LYS A 62 17.287 10.688 -11.484 1.00 0.00 C ATOM 817 CG LYS A 62 18.472 10.618 -10.537 1.00 0.00 C ATOM 818 CD LYS A 62 18.947 9.188 -10.342 1.00 0.00 C ATOM 819 CE LYS A 62 20.421 9.135 -9.970 1.00 0.00 C ATOM 820 NZ LYS A 62 21.288 9.657 -11.063 1.00 0.00 N ATOM 0 H LYS A 62 16.925 8.316 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 62 15.807 10.705 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.508 10.099 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.154 11.720 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.289 11.223 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.194 11.045 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.356 8.711 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.781 8.621 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.588 9.718 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.702 8.106 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.942 8.911 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.695 9.953 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.832 10.472 -10.715 1.00 0.00 H new ATOM 834 N ASN A 63 14.776 9.793 -12.936 1.00 0.00 N ATOM 835 CA ASN A 63 13.713 9.987 -13.917 1.00 0.00 C ATOM 836 C ASN A 63 12.376 9.494 -13.374 1.00 0.00 C ATOM 837 O ASN A 63 11.315 9.929 -13.819 1.00 0.00 O ATOM 838 CB ASN A 63 14.051 9.255 -15.217 1.00 0.00 C ATOM 839 CG ASN A 63 15.076 10.000 -16.051 1.00 0.00 C ATOM 840 OD1 ASN A 63 15.146 11.228 -16.016 1.00 0.00 O ATOM 841 ND2 ASN A 63 15.876 9.257 -16.806 1.00 0.00 N ATOM 0 H ASN A 63 15.467 9.090 -13.197 1.00 0.00 H new ATOM 0 HA ASN A 63 13.630 11.055 -14.121 1.00 0.00 H new ATOM 0 HB2 ASN A 63 14.431 8.261 -14.983 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.141 9.119 -15.801 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.585 9.702 -17.389 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.782 8.241 -16.803 1.00 0.00 H new ATOM 848 N GLY A 64 12.435 8.582 -12.408 1.00 0.00 N ATOM 849 CA GLY A 64 11.222 8.044 -11.820 1.00 0.00 C ATOM 850 C GLY A 64 11.356 6.578 -11.456 1.00 0.00 C ATOM 851 O GLY A 64 12.072 6.228 -10.518 1.00 0.00 O ATOM 0 H GLY A 64 13.301 8.206 -12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.970 8.616 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.396 8.167 -12.521 1.00 0.00 H new ATOM 855 N SER A 65 10.662 5.720 -12.197 1.00 0.00 N ATOM 856 CA SER A 65 10.701 4.285 -11.942 1.00 0.00 C ATOM 857 C SER A 65 10.288 3.976 -10.507 1.00 0.00 C ATOM 858 O SER A 65 10.901 3.141 -9.839 1.00 0.00 O ATOM 859 CB SER A 65 12.104 3.737 -12.212 1.00 0.00 C ATOM 860 OG SER A 65 12.258 3.377 -13.574 1.00 0.00 O ATOM 0 H SER A 65 10.066 5.994 -12.978 1.00 0.00 H new ATOM 0 HA SER A 65 9.994 3.801 -12.616 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.848 4.487 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.286 2.868 -11.580 1.00 0.00 H new ATOM 0 HG SER A 65 13.163 3.031 -13.721 1.00 0.00 H new ATOM 866 N CYS A 66 9.247 4.655 -10.038 1.00 0.00 N ATOM 867 CA CYS A 66 8.753 4.454 -8.680 1.00 0.00 C ATOM 868 C CYS A 66 7.967 3.151 -8.575 1.00 0.00 C ATOM 869 O CYS A 66 7.358 2.702 -9.544 1.00 0.00 O ATOM 870 CB CYS A 66 7.873 5.631 -8.257 1.00 0.00 C ATOM 871 SG CYS A 66 8.784 7.162 -7.951 1.00 0.00 S ATOM 0 H CYS A 66 8.729 5.349 -10.577 1.00 0.00 H new ATOM 0 HA CYS A 66 9.612 4.393 -8.012 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.130 5.812 -9.033 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.329 5.358 -7.353 1.00 0.00 H new ATOM 0 HG CYS A 66 7.953 8.099 -7.601 1.00 0.00 H new ATOM 877 N GLY A 67 7.986 2.548 -7.390 1.00 0.00 N ATOM 878 CA GLY A 67 7.273 1.302 -7.180 1.00 0.00 C ATOM 879 C GLY A 67 7.756 0.557 -5.951 1.00 0.00 C ATOM 880 O GLY A 67 8.922 0.175 -5.866 1.00 0.00 O ATOM 0 H GLY A 67 8.483 2.901 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.208 1.509 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.393 0.666 -8.057 1.00 0.00 H new ATOM 884 N VAL A 68 6.856 0.353 -4.994 1.00 0.00 N ATOM 885 CA VAL A 68 7.197 -0.350 -3.763 1.00 0.00 C ATOM 886 C VAL A 68 7.047 -1.857 -3.931 1.00 0.00 C ATOM 887 O VAL A 68 6.041 -2.337 -4.453 1.00 0.00 O ATOM 888 CB VAL A 68 6.314 0.115 -2.589 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.800 -0.492 -1.282 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.295 1.634 -2.507 1.00 0.00 C ATOM 0 H VAL A 68 5.886 0.664 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 68 8.238 -0.114 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 68 5.295 -0.230 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.164 -0.152 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.757 -1.579 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.828 -0.180 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.667 1.945 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.309 2.003 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.895 2.043 -3.435 1.00 0.00 H new ATOM 900 N SER A 69 8.055 -2.600 -3.485 1.00 0.00 N ATOM 901 CA SER A 69 8.037 -4.054 -3.589 1.00 0.00 C ATOM 902 C SER A 69 8.113 -4.700 -2.208 1.00 0.00 C ATOM 903 O SER A 69 8.764 -4.178 -1.302 1.00 0.00 O ATOM 904 CB SER A 69 9.200 -4.540 -4.456 1.00 0.00 C ATOM 905 OG SER A 69 10.432 -4.432 -3.763 1.00 0.00 O ATOM 0 H SER A 69 8.894 -2.219 -3.048 1.00 0.00 H new ATOM 0 HA SER A 69 7.097 -4.347 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.032 -5.577 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.243 -3.954 -5.374 1.00 0.00 H new ATOM 0 HG SER A 69 10.522 -3.528 -3.395 1.00 0.00 H new ATOM 911 N TYR A 70 7.444 -5.836 -2.056 1.00 0.00 N ATOM 912 CA TYR A 70 7.433 -6.552 -0.785 1.00 0.00 C ATOM 913 C TYR A 70 7.135 -8.034 -0.997 1.00 0.00 C ATOM 914 O TYR A 70 6.450 -8.410 -1.948 1.00 0.00 O ATOM 915 CB TYR A 70 6.396 -5.942 0.160 1.00 0.00 C ATOM 916 CG TYR A 70 4.971 -6.301 -0.193 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.252 -5.552 -1.115 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.342 -7.391 0.397 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.949 -5.877 -1.440 1.00 0.00 C ATOM 920 CE2 TYR A 70 3.041 -7.724 0.079 1.00 0.00 C ATOM 921 CZ TYR A 70 2.348 -6.964 -0.840 1.00 0.00 C ATOM 922 OH TYR A 70 1.051 -7.291 -1.161 1.00 0.00 O ATOM 0 H TYR A 70 6.902 -6.282 -2.796 1.00 0.00 H new ATOM 0 HA TYR A 70 8.422 -6.459 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.604 -6.274 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.502 -4.857 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.720 -4.700 -1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.881 -7.988 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.404 -5.284 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.568 -8.575 0.547 1.00 0.00 H new ATOM 0 HH TYR A 70 0.778 -8.083 -0.652 1.00 0.00 H new ATOM 932 N ILE A 71 7.654 -8.868 -0.102 1.00 0.00 N ATOM 933 CA ILE A 71 7.442 -10.307 -0.189 1.00 0.00 C ATOM 934 C ILE A 71 7.102 -10.896 1.176 1.00 0.00 C ATOM 935 O ILE A 71 7.777 -10.624 2.167 1.00 0.00 O ATOM 936 CB ILE A 71 8.684 -11.026 -0.749 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.855 -10.710 -2.237 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.572 -12.527 -0.530 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.254 -10.964 -2.752 1.00 0.00 C ATOM 0 H ILE A 71 8.224 -8.572 0.691 1.00 0.00 H new ATOM 0 HA ILE A 71 6.604 -10.462 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 71 9.564 -10.666 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.150 -11.312 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.597 -9.665 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.457 -13.020 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.494 -12.734 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.685 -12.904 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.301 -10.718 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.962 -10.342 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.508 -12.014 -2.611 1.00 0.00 H new ATOM 951 N ALA A 72 6.049 -11.706 1.217 1.00 0.00 N ATOM 952 CA ALA A 72 5.620 -12.337 2.459 1.00 0.00 C ATOM 953 C ALA A 72 5.948 -13.827 2.461 1.00 0.00 C ATOM 954 O ALA A 72 5.204 -14.636 1.909 1.00 0.00 O ATOM 955 CB ALA A 72 4.128 -12.124 2.672 1.00 0.00 C ATOM 0 H ALA A 72 5.478 -11.940 0.405 1.00 0.00 H new ATOM 0 HA ALA A 72 6.164 -11.870 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.822 -12.601 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.917 -11.056 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.576 -12.563 1.841 1.00 0.00 H new ATOM 961 N GLN A 73 7.068 -14.180 3.084 1.00 0.00 N ATOM 962 CA GLN A 73 7.496 -15.573 3.155 1.00 0.00 C ATOM 963 C GLN A 73 6.306 -16.495 3.397 1.00 0.00 C ATOM 964 O GLN A 73 6.127 -17.490 2.695 1.00 0.00 O ATOM 965 CB GLN A 73 8.531 -15.754 4.266 1.00 0.00 C ATOM 966 CG GLN A 73 9.816 -14.977 4.032 1.00 0.00 C ATOM 967 CD GLN A 73 10.529 -15.397 2.761 1.00 0.00 C ATOM 968 OE1 GLN A 73 11.074 -16.498 2.676 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.531 -14.519 1.766 1.00 0.00 N ATOM 0 H GLN A 73 7.695 -13.522 3.546 1.00 0.00 H new ATOM 0 HA GLN A 73 7.949 -15.838 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.093 -15.440 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.769 -16.814 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.588 -13.912 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.483 -15.120 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.067 -13.618 1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.997 -14.745 0.887 1.00 0.00 H new ATOM 978 N GLU A 74 5.494 -16.158 4.394 1.00 0.00 N ATOM 979 CA GLU A 74 4.322 -16.958 4.729 1.00 0.00 C ATOM 980 C GLU A 74 3.037 -16.197 4.417 1.00 0.00 C ATOM 981 O GLU A 74 2.955 -14.977 4.568 1.00 0.00 O ATOM 982 CB GLU A 74 4.349 -17.349 6.209 1.00 0.00 C ATOM 983 CG GLU A 74 5.617 -18.077 6.622 1.00 0.00 C ATOM 984 CD GLU A 74 5.627 -19.528 6.183 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.589 -20.203 6.347 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.671 -19.989 5.676 1.00 0.00 O ATOM 0 H GLU A 74 5.626 -15.336 4.984 1.00 0.00 H new ATOM 0 HA GLU A 74 4.346 -17.862 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.242 -16.450 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.489 -17.983 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.480 -17.566 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.722 -18.029 7.706 1.00 0.00 H new ATOM 993 N PRO A 75 2.008 -16.932 3.971 1.00 0.00 N ATOM 994 CA PRO A 75 0.708 -16.348 3.627 1.00 0.00 C ATOM 995 C PRO A 75 -0.050 -15.857 4.856 1.00 0.00 C ATOM 996 O PRO A 75 0.189 -16.320 5.970 1.00 0.00 O ATOM 997 CB PRO A 75 -0.039 -17.510 2.967 1.00 0.00 C ATOM 998 CG PRO A 75 0.589 -18.735 3.534 1.00 0.00 C ATOM 999 CD PRO A 75 2.035 -18.390 3.767 1.00 0.00 C ATOM 0 HA PRO A 75 0.811 -15.471 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.105 -17.473 3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.061 -17.480 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.103 -19.028 4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.494 -19.576 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.437 -18.910 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.656 -18.665 2.915 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.966 -14.916 4.644 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.744 -14.378 5.744 1.00 0.00 C ATOM 1009 C GLY A 76 -2.272 -12.987 5.455 1.00 0.00 C ATOM 1010 O GLY A 76 -2.109 -12.471 4.350 1.00 0.00 O ATOM 0 H GLY A 76 -1.183 -14.517 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.581 -15.045 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.127 -14.350 6.642 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.910 -12.379 6.451 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.466 -11.040 6.297 1.00 0.00 C ATOM 1016 C ASN A 77 -2.471 -9.981 6.761 1.00 0.00 C ATOM 1017 O ASN A 77 -2.376 -9.681 7.951 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.769 -10.912 7.088 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.541 -10.946 8.587 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.588 -11.560 9.068 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.417 -10.283 9.333 1.00 0.00 N ATOM 0 H ASN A 77 -3.054 -12.792 7.372 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.674 -10.880 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.264 -9.979 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.442 -11.722 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.315 -10.269 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.192 -9.788 8.891 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.730 -9.417 5.812 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.740 -8.393 6.123 1.00 0.00 C ATOM 1030 C TYR A 78 -1.366 -7.002 6.085 1.00 0.00 C ATOM 1031 O TYR A 78 -2.095 -6.664 5.153 1.00 0.00 O ATOM 1032 CB TYR A 78 0.428 -8.467 5.138 1.00 0.00 C ATOM 1033 CG TYR A 78 1.306 -9.683 5.332 1.00 0.00 C ATOM 1034 CD1 TYR A 78 0.855 -10.951 4.989 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.588 -9.563 5.856 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.653 -12.065 5.164 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.393 -10.671 6.033 1.00 0.00 C ATOM 1038 CZ TYR A 78 2.921 -11.920 5.686 1.00 0.00 C ATOM 1039 OH TYR A 78 3.720 -13.026 5.860 1.00 0.00 O ATOM 0 H TYR A 78 -1.797 -9.652 4.822 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.368 -8.577 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.035 -8.471 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.037 -7.569 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.137 -11.068 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.961 -8.587 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.286 -13.044 4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.387 -10.560 6.441 1.00 0.00 H new ATOM 0 HH TYR A 78 3.209 -13.835 5.651 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.072 -6.199 7.103 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.606 -4.845 7.185 1.00 0.00 C ATOM 1051 C GLU A 79 -0.530 -3.815 6.851 1.00 0.00 C ATOM 1052 O GLU A 79 0.340 -3.521 7.671 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.165 -4.577 8.585 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.321 -3.590 8.599 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.460 -2.876 9.929 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.456 -2.794 10.666 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.574 -2.399 10.233 1.00 0.00 O ATOM 0 H GLU A 79 -0.468 -6.463 7.881 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.411 -4.755 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.497 -5.519 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.365 -4.196 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.175 -2.854 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.248 -4.118 8.375 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.595 -3.271 5.640 1.00 0.00 N ATOM 1065 CA VAL A 80 0.371 -2.274 5.196 1.00 0.00 C ATOM 1066 C VAL A 80 -0.059 -0.870 5.605 1.00 0.00 C ATOM 1067 O VAL A 80 -1.041 -0.336 5.090 1.00 0.00 O ATOM 1068 CB VAL A 80 0.559 -2.316 3.669 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.675 -1.374 3.241 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.845 -3.737 3.206 1.00 0.00 C ATOM 0 H VAL A 80 -1.307 -3.505 4.948 1.00 0.00 H new ATOM 0 HA VAL A 80 1.318 -2.515 5.679 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.366 -1.983 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.793 -1.418 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.425 -0.355 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.607 -1.673 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.975 -3.748 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.755 -4.099 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.010 -4.383 3.478 1.00 0.00 H new ATOM 1080 N SER A 81 0.682 -0.278 6.535 1.00 0.00 N ATOM 1081 CA SER A 81 0.376 1.065 7.018 1.00 0.00 C ATOM 1082 C SER A 81 1.053 2.122 6.150 1.00 0.00 C ATOM 1083 O SER A 81 2.281 2.187 6.079 1.00 0.00 O ATOM 1084 CB SER A 81 0.821 1.221 8.474 1.00 0.00 C ATOM 1085 OG SER A 81 0.431 2.480 8.993 1.00 0.00 O ATOM 0 H SER A 81 1.499 -0.706 6.970 1.00 0.00 H new ATOM 0 HA SER A 81 -0.703 1.208 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.386 0.424 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.904 1.116 8.540 1.00 0.00 H new ATOM 0 HG SER A 81 0.725 2.555 9.925 1.00 0.00 H new ATOM 1091 N ILE A 82 0.245 2.945 5.493 1.00 0.00 N ATOM 1092 CA ILE A 82 0.764 3.999 4.632 1.00 0.00 C ATOM 1093 C ILE A 82 0.484 5.378 5.220 1.00 0.00 C ATOM 1094 O ILE A 82 -0.647 5.687 5.596 1.00 0.00 O ATOM 1095 CB ILE A 82 0.156 3.924 3.219 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.596 2.635 2.520 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.561 5.141 2.402 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.118 2.384 1.210 1.00 0.00 C ATOM 0 H ILE A 82 -0.773 2.902 5.540 1.00 0.00 H new ATOM 0 HA ILE A 82 1.841 3.847 4.564 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.930 3.916 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.670 2.679 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.421 1.791 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.123 5.073 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.203 6.045 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.647 5.179 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.244 1.454 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.190 2.308 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.078 3.209 0.525 1.00 0.00 H new ATOM 1110 N LYS A 83 1.522 6.206 5.295 1.00 0.00 N ATOM 1111 CA LYS A 83 1.388 7.554 5.833 1.00 0.00 C ATOM 1112 C LYS A 83 1.979 8.583 4.876 1.00 0.00 C ATOM 1113 O LYS A 83 3.121 8.452 4.435 1.00 0.00 O ATOM 1114 CB LYS A 83 2.080 7.652 7.195 1.00 0.00 C ATOM 1115 CG LYS A 83 1.173 7.309 8.364 1.00 0.00 C ATOM 1116 CD LYS A 83 1.581 8.055 9.624 1.00 0.00 C ATOM 1117 CE LYS A 83 2.684 7.324 10.374 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.144 6.224 11.220 1.00 0.00 N ATOM 0 H LYS A 83 2.465 5.966 4.990 1.00 0.00 H new ATOM 0 HA LYS A 83 0.326 7.766 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.940 6.983 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.462 8.664 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.142 7.557 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.206 6.235 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.921 9.057 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.714 8.173 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.399 6.916 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.227 8.031 11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.315 6.441 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.121 6.129 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.618 5.332 10.974 1.00 0.00 H new ATOM 1132 N PHE A 84 1.195 9.608 4.559 1.00 0.00 N ATOM 1133 CA PHE A 84 1.641 10.661 3.654 1.00 0.00 C ATOM 1134 C PHE A 84 2.001 11.927 4.427 1.00 0.00 C ATOM 1135 O PHE A 84 1.125 12.639 4.913 1.00 0.00 O ATOM 1136 CB PHE A 84 0.554 10.971 2.623 1.00 0.00 C ATOM 1137 CG PHE A 84 0.906 12.104 1.703 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.729 11.893 0.607 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.415 13.379 1.931 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.056 12.934 -0.241 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.738 14.424 1.086 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.559 14.200 -0.003 1.00 0.00 C ATOM 0 H PHE A 84 0.247 9.732 4.915 1.00 0.00 H new ATOM 0 HA PHE A 84 2.533 10.307 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.362 10.077 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.372 11.212 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.119 10.904 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.228 13.559 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.700 12.757 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.350 15.414 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.811 15.014 -0.667 1.00 0.00 H new ATOM 1152 N ASN A 85 3.298 12.198 4.535 1.00 0.00 N ATOM 1153 CA ASN A 85 3.775 13.376 5.249 1.00 0.00 C ATOM 1154 C ASN A 85 3.474 13.267 6.741 1.00 0.00 C ATOM 1155 O ASN A 85 3.154 14.260 7.394 1.00 0.00 O ATOM 1156 CB ASN A 85 3.130 14.641 4.678 1.00 0.00 C ATOM 1157 CG ASN A 85 3.208 14.697 3.165 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.576 13.718 2.515 1.00 0.00 O ATOM 1159 ND2 ASN A 85 2.862 15.846 2.596 1.00 0.00 N ATOM 0 H ASN A 85 4.037 11.618 4.137 1.00 0.00 H new ATOM 0 HA ASN A 85 4.855 13.437 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.086 14.684 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.623 15.518 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.895 15.943 1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.563 16.632 3.174 1.00 0.00 H new ATOM 1166 N ASP A 86 3.580 12.054 7.273 1.00 0.00 N ATOM 1167 CA ASP A 86 3.320 11.814 8.687 1.00 0.00 C ATOM 1168 C ASP A 86 1.828 11.905 8.990 1.00 0.00 C ATOM 1169 O ASP A 86 1.428 12.352 10.064 1.00 0.00 O ATOM 1170 CB ASP A 86 4.088 12.821 9.546 1.00 0.00 C ATOM 1171 CG ASP A 86 5.523 12.996 9.089 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.348 12.099 9.367 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.821 14.027 8.452 1.00 0.00 O ATOM 0 H ASP A 86 3.844 11.222 6.746 1.00 0.00 H new ATOM 0 HA ASP A 86 3.660 10.807 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.579 13.784 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.078 12.490 10.585 1.00 0.00 H new ATOM 1178 N GLU A 87 1.008 11.478 8.033 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.439 11.513 8.197 1.00 0.00 C ATOM 1180 C GLU A 87 -1.074 10.210 7.717 1.00 0.00 C ATOM 1181 O GLU A 87 -0.622 9.610 6.741 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.034 12.695 7.428 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.052 13.990 8.223 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.912 15.059 7.578 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.850 14.697 6.836 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.648 16.257 7.813 1.00 0.00 O ATOM 0 H GLU A 87 1.322 11.104 7.137 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.655 11.633 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.461 12.848 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.053 12.448 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.422 13.789 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.033 14.362 8.327 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.122 9.778 8.409 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.818 8.547 8.054 1.00 0.00 C ATOM 1195 C HIS A 88 -3.968 8.831 7.091 1.00 0.00 C ATOM 1196 O HIS A 88 -4.989 9.399 7.479 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.350 7.856 9.311 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.418 6.822 9.864 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.478 5.490 9.514 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.398 6.931 10.748 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.536 4.825 10.159 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.867 5.676 10.914 1.00 0.00 N ATOM 0 H HIS A 88 -2.508 10.262 9.219 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.106 7.887 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.541 8.608 10.076 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.306 7.386 9.081 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.145 5.082 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.064 7.837 11.232 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.346 3.765 10.082 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.794 8.432 5.836 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.815 8.644 4.819 1.00 0.00 C ATOM 1212 C ILE A 89 -6.061 7.812 5.110 1.00 0.00 C ATOM 1213 O ILE A 89 -6.019 6.819 5.836 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.294 8.291 3.414 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.323 7.109 3.488 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.618 9.498 2.781 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.109 6.420 2.158 1.00 0.00 C ATOM 0 H ILE A 89 -2.955 7.960 5.499 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.072 9.703 4.846 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.141 8.004 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.363 7.461 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.701 6.383 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.255 9.233 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.335 10.315 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.779 9.812 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.410 5.593 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.061 6.038 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.702 7.132 1.441 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.197 8.226 4.528 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.475 7.532 4.708 1.00 0.00 C ATOM 1231 C PRO A 90 -8.500 6.172 4.017 1.00 0.00 C ATOM 1232 O PRO A 90 -9.516 5.478 4.029 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.488 8.480 4.060 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.697 9.253 3.062 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.320 9.401 3.649 1.00 0.00 C ATOM 0 HA PRO A 90 -8.679 7.320 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.298 7.928 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.944 9.138 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.659 8.732 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.149 10.227 2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.552 9.407 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.218 10.332 4.206 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.375 5.799 3.415 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.270 4.523 2.719 1.00 0.00 C ATOM 1245 C GLU A 91 -6.323 3.578 3.454 1.00 0.00 C ATOM 1246 O GLU A 91 -6.206 2.403 3.105 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.780 4.738 1.285 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.785 5.456 0.400 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.650 5.079 -1.062 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.993 4.057 -1.354 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -8.202 5.805 -1.915 1.00 0.00 O ATOM 0 H GLU A 91 -6.525 6.362 3.396 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.261 4.070 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.854 5.312 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.544 3.771 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.794 5.223 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.654 6.533 0.507 1.00 0.00 H new ATOM 1258 N SER A 92 -5.649 4.100 4.473 1.00 0.00 N ATOM 1259 CA SER A 92 -4.709 3.307 5.257 1.00 0.00 C ATOM 1260 C SER A 92 -5.163 3.203 6.709 1.00 0.00 C ATOM 1261 O SER A 92 -5.894 4.053 7.220 1.00 0.00 O ATOM 1262 CB SER A 92 -3.310 3.921 5.190 1.00 0.00 C ATOM 1263 OG SER A 92 -3.099 4.825 6.261 1.00 0.00 O ATOM 0 H SER A 92 -5.736 5.070 4.776 1.00 0.00 H new ATOM 0 HA SER A 92 -4.678 2.303 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.560 3.131 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.182 4.441 4.240 1.00 0.00 H new ATOM 0 HG SER A 92 -2.268 5.323 6.110 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.722 2.136 7.392 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.853 1.118 6.794 1.00 0.00 C ATOM 1271 C PRO A 93 -4.581 0.274 5.753 1.00 0.00 C ATOM 1272 O PRO A 93 -5.798 0.375 5.598 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.442 0.256 7.990 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.540 0.434 8.981 1.00 0.00 C ATOM 1275 CD PRO A 93 -5.037 1.842 8.799 1.00 0.00 C ATOM 0 HA PRO A 93 -3.011 1.561 6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.332 -0.790 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.484 0.577 8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.340 -0.287 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.178 0.276 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.106 1.919 8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.537 2.535 9.476 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.827 -0.560 5.044 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.400 -1.420 4.017 1.00 0.00 C ATOM 1285 C TYR A 94 -4.345 -2.885 4.440 1.00 0.00 C ATOM 1286 O TYR A 94 -3.451 -3.296 5.182 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.660 -1.232 2.691 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.847 0.138 2.083 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.280 1.264 2.667 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.592 0.309 0.922 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.450 2.519 2.115 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.766 1.560 0.361 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.193 2.661 0.961 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.363 3.910 0.407 1.00 0.00 O ATOM 0 H TYR A 94 -2.819 -0.658 5.162 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.444 -1.137 3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.596 -1.407 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.005 -1.985 1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.696 1.156 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.043 -0.551 0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.004 3.384 2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.347 1.674 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.492 4.352 0.324 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.304 -3.670 3.961 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.365 -5.090 4.288 1.00 0.00 C ATOM 1306 C LEU A 95 -5.269 -5.943 3.028 1.00 0.00 C ATOM 1307 O LEU A 95 -6.185 -5.960 2.206 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.663 -5.406 5.034 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.705 -6.747 5.768 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.505 -6.889 6.692 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.003 -6.885 6.552 1.00 0.00 C ATOM 0 H LEU A 95 -6.050 -3.347 3.345 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.517 -5.327 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.845 -4.612 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.485 -5.380 4.319 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.663 -7.546 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.553 -7.849 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.587 -6.835 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.514 -6.084 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.016 -7.845 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.074 -6.079 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.849 -6.830 5.867 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.154 -6.653 2.883 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.939 -7.511 1.725 1.00 0.00 C ATOM 1325 C VAL A 96 -3.898 -8.981 2.130 1.00 0.00 C ATOM 1326 O VAL A 96 -2.903 -9.478 2.658 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.629 -7.154 0.997 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.555 -7.861 -0.348 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.510 -5.648 0.823 1.00 0.00 C ATOM 0 H VAL A 96 -3.386 -6.650 3.554 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.778 -7.346 1.049 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.791 -7.494 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.623 -7.597 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.591 -8.940 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.398 -7.554 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.579 -5.414 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.352 -5.282 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.513 -5.167 1.801 1.00 0.00 H new ATOM 1339 N PRO A 97 -5.005 -9.694 1.877 1.00 0.00 N ATOM 1340 CA PRO A 97 -5.120 -11.118 2.206 1.00 0.00 C ATOM 1341 C PRO A 97 -4.236 -11.991 1.322 1.00 0.00 C ATOM 1342 O PRO A 97 -4.669 -12.468 0.273 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.599 -11.423 1.952 1.00 0.00 C ATOM 1344 CG PRO A 97 -7.028 -10.406 0.950 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.229 -9.167 1.250 1.00 0.00 C ATOM 0 HA PRO A 97 -4.797 -11.328 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.735 -12.435 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.183 -11.346 2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.840 -10.755 -0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.097 -10.209 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.006 -8.604 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.766 -8.495 1.919 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.997 -12.199 1.753 1.00 0.00 N ATOM 1354 CA VAL A 98 -2.052 -13.016 1.002 1.00 0.00 C ATOM 1355 C VAL A 98 -2.393 -14.497 1.119 1.00 0.00 C ATOM 1356 O VAL A 98 -2.827 -14.963 2.174 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.607 -12.792 1.486 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.367 -13.619 0.660 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.249 -11.315 1.427 1.00 0.00 C ATOM 0 H VAL A 98 -2.623 -11.812 2.620 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.128 -12.710 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.535 -13.119 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.383 -13.448 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.121 -14.676 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.296 -13.326 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.775 -11.175 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.338 -10.960 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.928 -10.750 2.066 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.192 -15.233 0.031 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.477 -16.662 0.013 1.00 0.00 C ATOM 1371 C ILE A 99 -1.282 -17.454 -0.508 1.00 0.00 C ATOM 1372 O ILE A 99 -0.428 -16.917 -1.213 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.707 -16.980 -0.857 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.467 -16.534 -2.301 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.947 -16.306 -0.289 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.321 -17.269 -3.310 1.00 0.00 C ATOM 0 H ILE A 99 -1.833 -14.863 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.684 -16.955 1.042 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.868 -18.058 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.664 -15.465 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.416 -16.683 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.808 -16.541 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.126 -16.667 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.797 -15.227 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.098 -16.902 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.107 -18.337 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.374 -17.099 -3.087 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.230 -18.734 -0.156 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.141 -19.601 -0.591 1.00 0.00 C ATOM 1390 C ALA A 100 -0.444 -20.222 -1.951 1.00 0.00 C ATOM 1391 O ALA A 100 -1.374 -21.013 -2.107 1.00 0.00 O ATOM 1392 CB ALA A 100 0.112 -20.689 0.443 1.00 0.00 C ATOM 0 H ALA A 100 -1.928 -19.194 0.429 1.00 0.00 H new ATOM 0 HA ALA A 100 0.758 -18.993 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.927 -21.329 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.380 -20.231 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.790 -21.287 0.570 1.00 0.00 H new ATOM 1398 N PRO A 101 0.358 -19.855 -2.961 1.00 0.00 N ATOM 1399 CA PRO A 101 0.196 -20.365 -4.327 1.00 0.00 C ATOM 1400 C PRO A 101 0.562 -21.840 -4.442 1.00 0.00 C ATOM 1401 O PRO A 101 1.705 -22.227 -4.202 1.00 0.00 O ATOM 1402 CB PRO A 101 1.167 -19.507 -5.143 1.00 0.00 C ATOM 1403 CG PRO A 101 2.200 -19.069 -4.164 1.00 0.00 C ATOM 1404 CD PRO A 101 1.487 -18.916 -2.849 1.00 0.00 C ATOM 0 HA PRO A 101 -0.838 -20.302 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.611 -20.078 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.660 -18.653 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.003 -19.803 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.656 -18.128 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.135 -19.166 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.145 -17.893 -2.694 1.00 0.00 H new ATOM 1412 N SER A 102 -0.417 -22.660 -4.811 1.00 0.00 N ATOM 1413 CA SER A 102 -0.198 -24.095 -4.956 1.00 0.00 C ATOM 1414 C SER A 102 -0.322 -24.520 -6.416 1.00 0.00 C ATOM 1415 O SER A 102 -1.421 -24.770 -6.910 1.00 0.00 O ATOM 1416 CB SER A 102 -1.200 -24.874 -4.101 1.00 0.00 C ATOM 1417 OG SER A 102 -0.724 -25.034 -2.776 1.00 0.00 O ATOM 0 H SER A 102 -1.369 -22.356 -5.015 1.00 0.00 H new ATOM 0 HA SER A 102 0.813 -24.319 -4.615 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.155 -24.350 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.380 -25.852 -4.547 1.00 0.00 H new ATOM 0 HG SER A 102 -1.383 -25.533 -2.250 1.00 0.00 H new ATOM 1423 N ASP A 103 0.814 -24.597 -7.101 1.00 0.00 N ATOM 1424 CA ASP A 103 0.835 -24.992 -8.504 1.00 0.00 C ATOM 1425 C ASP A 103 1.877 -26.079 -8.748 1.00 0.00 C ATOM 1426 O ASP A 103 3.029 -25.787 -9.071 1.00 0.00 O ATOM 1427 CB ASP A 103 1.126 -23.780 -9.392 1.00 0.00 C ATOM 1428 CG ASP A 103 1.193 -24.144 -10.863 1.00 0.00 C ATOM 1429 OD1 ASP A 103 2.074 -24.949 -11.235 1.00 0.00 O ATOM 1430 OD2 ASP A 103 0.367 -23.625 -11.641 1.00 0.00 O ATOM 0 H ASP A 103 1.732 -24.391 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.146 -25.392 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.351 -23.028 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.071 -23.329 -9.089 1.00 0.00 H new ATOM 1435 N ASP A 104 1.466 -27.332 -8.589 1.00 0.00 N ATOM 1436 CA ASP A 104 2.364 -28.463 -8.791 1.00 0.00 C ATOM 1437 C ASP A 104 2.138 -29.098 -10.161 1.00 0.00 C ATOM 1438 O ASP A 104 1.075 -29.653 -10.430 1.00 0.00 O ATOM 1439 CB ASP A 104 2.159 -29.507 -7.692 1.00 0.00 C ATOM 1440 CG ASP A 104 0.693 -29.760 -7.401 1.00 0.00 C ATOM 1441 OD1 ASP A 104 0.098 -30.632 -8.068 1.00 0.00 O ATOM 1442 OD2 ASP A 104 0.140 -29.087 -6.505 1.00 0.00 O ATOM 0 H ASP A 104 0.516 -27.590 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 104 3.389 -28.095 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.634 -30.442 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.655 -29.173 -6.781 1.00 0.00 H new ATOM 1447 N ALA A 105 3.147 -29.008 -11.021 1.00 0.00 N ATOM 1448 CA ALA A 105 3.060 -29.574 -12.362 1.00 0.00 C ATOM 1449 C ALA A 105 3.360 -31.069 -12.348 1.00 0.00 C ATOM 1450 O ALA A 105 3.615 -31.670 -13.391 1.00 0.00 O ATOM 1451 CB ALA A 105 4.013 -28.851 -13.303 1.00 0.00 C ATOM 0 H ALA A 105 4.034 -28.549 -10.813 1.00 0.00 H new ATOM 0 HA ALA A 105 2.040 -29.439 -12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.938 -29.284 -14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.750 -27.794 -13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.035 -28.957 -12.938 1.00 0.00 H new TER 1457 ALA A 105