USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.993 K(o=0.99,f=-0.00086) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00378 X(o=0.99,f=0.97) USER MOD Single : A 1 SER N :NH3+ -150:sc= 0.0277 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -41:sc= 0.163 USER MOD Single : A 17 TYR OH : rot 180:sc= 0.208 USER MOD Single : A 19 THR OG1 : rot 120:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0349 K(o=-0.035,f=-3.3!) USER MOD Single : A 23 HIS : no HD1:sc= 1.12 K(o=1.1,f=-3.6!) USER MOD Single : A 29 GLN : amide:sc= 0.0733 X(o=0.073,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.541 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.395 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0526) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.23) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.931 14.425 -41.811 1.00 0.00 N ATOM 2 CA SER A 1 -6.875 15.906 -41.816 1.00 0.00 C ATOM 3 C SER A 1 -5.653 16.425 -41.055 1.00 0.00 C ATOM 4 O SER A 1 -4.705 16.906 -41.681 1.00 0.00 O ATOM 5 CB SER A 1 -8.177 16.509 -41.271 1.00 0.00 C ATOM 6 OG SER A 1 -8.499 15.922 -40.017 1.00 0.00 O ATOM 0 H1 SER A 1 -7.398 14.092 -42.679 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.965 14.041 -41.768 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.469 14.101 -40.982 1.00 0.00 H new ATOM 0 HA SER A 1 -6.769 16.229 -42.852 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.069 17.588 -41.159 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.989 16.342 -41.979 1.00 0.00 H new ATOM 0 HG SER A 1 -9.330 16.314 -39.676 1.00 0.00 H new ATOM 14 N MET A 2 -5.616 16.293 -39.722 1.00 0.00 N ATOM 15 CA MET A 2 -4.476 16.668 -38.873 1.00 0.00 C ATOM 16 C MET A 2 -3.358 15.610 -38.925 1.00 0.00 C ATOM 17 O MET A 2 -3.620 14.414 -38.770 1.00 0.00 O ATOM 18 CB MET A 2 -4.977 16.905 -37.437 1.00 0.00 C ATOM 19 CG MET A 2 -3.857 17.302 -36.467 1.00 0.00 C ATOM 20 SD MET A 2 -4.415 17.691 -34.785 1.00 0.00 S ATOM 21 CE MET A 2 -2.798 17.944 -34.000 1.00 0.00 C ATOM 0 H MET A 2 -6.399 15.912 -39.190 1.00 0.00 H new ATOM 0 HA MET A 2 -4.036 17.592 -39.250 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.735 17.688 -37.448 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.460 15.998 -37.073 1.00 0.00 H new ATOM 0 HG2 MET A 2 -3.133 16.489 -36.416 1.00 0.00 H new ATOM 0 HG3 MET A 2 -3.334 18.169 -36.872 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.939 18.195 -32.949 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.208 17.031 -34.079 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.274 18.758 -34.500 1.00 0.00 H new ATOM 31 N ALA A 3 -2.107 16.050 -39.089 1.00 0.00 N ATOM 32 CA ALA A 3 -0.914 15.211 -38.938 1.00 0.00 C ATOM 33 C ALA A 3 -0.516 15.075 -37.454 1.00 0.00 C ATOM 34 O ALA A 3 -0.614 16.038 -36.690 1.00 0.00 O ATOM 35 CB ALA A 3 0.219 15.795 -39.791 1.00 0.00 C ATOM 0 H ALA A 3 -1.891 17.016 -39.335 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.128 14.202 -39.291 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.110 15.177 -39.684 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.086 15.814 -40.837 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.439 16.809 -39.458 1.00 0.00 H new ATOM 41 N ASP A 4 -0.065 13.883 -37.044 1.00 0.00 N ATOM 42 CA ASP A 4 0.248 13.532 -35.643 1.00 0.00 C ATOM 43 C ASP A 4 -0.900 13.871 -34.657 1.00 0.00 C ATOM 44 O ASP A 4 -0.695 14.459 -33.591 1.00 0.00 O ATOM 45 CB ASP A 4 1.628 14.098 -35.253 1.00 0.00 C ATOM 46 CG ASP A 4 2.159 13.535 -33.919 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.031 12.311 -33.675 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.762 14.307 -33.132 1.00 0.00 O ATOM 0 H ASP A 4 0.098 13.112 -37.691 1.00 0.00 H new ATOM 0 HA ASP A 4 0.323 12.447 -35.565 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.343 13.874 -36.045 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.562 15.184 -35.181 1.00 0.00 H new ATOM 53 N ARG A 5 -2.139 13.537 -35.054 1.00 0.00 N ATOM 54 CA ARG A 5 -3.382 13.837 -34.320 1.00 0.00 C ATOM 55 C ARG A 5 -3.416 13.247 -32.904 1.00 0.00 C ATOM 56 O ARG A 5 -3.057 12.086 -32.694 1.00 0.00 O ATOM 57 CB ARG A 5 -4.592 13.366 -35.151 1.00 0.00 C ATOM 58 CG ARG A 5 -5.909 14.043 -34.734 1.00 0.00 C ATOM 59 CD ARG A 5 -7.064 13.592 -35.636 1.00 0.00 C ATOM 60 NE ARG A 5 -8.321 14.279 -35.282 1.00 0.00 N ATOM 61 CZ ARG A 5 -9.514 14.062 -35.812 1.00 0.00 C ATOM 62 NH1 ARG A 5 -9.708 13.175 -36.747 1.00 0.00 N ATOM 63 NH2 ARG A 5 -10.549 14.738 -35.402 1.00 0.00 N ATOM 0 H ARG A 5 -2.310 13.033 -35.924 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.426 14.917 -34.182 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.403 13.570 -36.205 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.697 12.286 -35.049 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.136 13.799 -33.696 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.800 15.126 -34.790 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.816 13.797 -36.677 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.199 12.514 -35.546 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.265 14.993 -34.556 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.926 12.620 -37.094 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.642 13.036 -37.132 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.442 15.439 -34.669 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.466 14.566 -35.814 1.00 0.00 H new ATOM 77 N VAL A 6 -3.926 14.036 -31.956 1.00 0.00 N ATOM 78 CA VAL A 6 -4.227 13.648 -30.570 1.00 0.00 C ATOM 79 C VAL A 6 -5.695 13.932 -30.236 1.00 0.00 C ATOM 80 O VAL A 6 -6.255 14.935 -30.688 1.00 0.00 O ATOM 81 CB VAL A 6 -3.284 14.341 -29.567 1.00 0.00 C ATOM 82 CG1 VAL A 6 -1.853 13.809 -29.701 1.00 0.00 C ATOM 83 CG2 VAL A 6 -3.249 15.873 -29.689 1.00 0.00 C ATOM 0 H VAL A 6 -4.153 15.013 -32.140 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.058 12.575 -30.482 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.697 14.102 -28.587 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.208 14.314 -28.982 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.844 12.737 -29.506 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.488 13.997 -30.711 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.562 16.281 -28.948 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.913 16.151 -30.688 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.248 16.275 -29.518 1.00 0.00 H new ATOM 93 N LEU A 7 -6.319 13.057 -29.446 1.00 0.00 N ATOM 94 CA LEU A 7 -7.734 13.129 -29.056 1.00 0.00 C ATOM 95 C LEU A 7 -7.883 13.209 -27.527 1.00 0.00 C ATOM 96 O LEU A 7 -7.128 12.572 -26.787 1.00 0.00 O ATOM 97 CB LEU A 7 -8.501 11.921 -29.634 1.00 0.00 C ATOM 98 CG LEU A 7 -8.495 11.804 -31.172 1.00 0.00 C ATOM 99 CD1 LEU A 7 -9.237 10.535 -31.591 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.174 12.993 -31.858 1.00 0.00 C ATOM 0 H LEU A 7 -5.840 12.251 -29.045 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.165 14.040 -29.470 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.075 11.009 -29.216 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.536 11.974 -29.295 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.450 11.779 -31.480 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.232 10.453 -32.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.742 9.665 -31.159 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.266 10.581 -31.235 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.140 12.857 -32.939 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.212 13.057 -31.532 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.653 13.913 -31.592 1.00 0.00 H new ATOM 112 N ARG A 8 -8.859 14.005 -27.061 1.00 0.00 N ATOM 113 CA ARG A 8 -9.139 14.309 -25.638 1.00 0.00 C ATOM 114 C ARG A 8 -7.883 14.719 -24.836 1.00 0.00 C ATOM 115 O ARG A 8 -7.695 14.321 -23.685 1.00 0.00 O ATOM 116 CB ARG A 8 -9.953 13.147 -25.027 1.00 0.00 C ATOM 117 CG ARG A 8 -10.814 13.587 -23.833 1.00 0.00 C ATOM 118 CD ARG A 8 -11.565 12.398 -23.224 1.00 0.00 C ATOM 119 NE ARG A 8 -12.443 12.821 -22.113 1.00 0.00 N ATOM 120 CZ ARG A 8 -12.101 13.032 -20.853 1.00 0.00 C ATOM 121 NH1 ARG A 8 -10.876 12.891 -20.429 1.00 0.00 N ATOM 122 NH2 ARG A 8 -12.997 13.397 -19.982 1.00 0.00 N ATOM 0 H ARG A 8 -9.507 14.478 -27.690 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.755 15.207 -25.579 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.597 12.717 -25.795 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.270 12.360 -24.706 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.181 14.048 -23.075 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.528 14.345 -24.156 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.162 11.910 -23.995 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.848 11.661 -22.862 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.426 12.967 -22.345 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.141 12.608 -21.078 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.653 13.063 -19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.967 13.521 -20.270 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.729 13.559 -19.011 1.00 0.00 H new ATOM 136 N GLY A 9 -7.014 15.513 -25.468 1.00 0.00 N ATOM 137 CA GLY A 9 -5.775 16.050 -24.889 1.00 0.00 C ATOM 138 C GLY A 9 -5.971 17.379 -24.149 1.00 0.00 C ATOM 139 O GLY A 9 -7.094 17.772 -23.827 1.00 0.00 O ATOM 0 H GLY A 9 -7.158 15.812 -26.433 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.359 15.317 -24.198 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.043 16.191 -25.684 1.00 0.00 H new ATOM 143 N SER A 10 -4.877 18.116 -23.935 1.00 0.00 N ATOM 144 CA SER A 10 -4.830 19.433 -23.267 1.00 0.00 C ATOM 145 C SER A 10 -5.345 20.599 -24.141 1.00 0.00 C ATOM 146 O SER A 10 -4.746 21.675 -24.202 1.00 0.00 O ATOM 147 CB SER A 10 -3.421 19.679 -22.704 1.00 0.00 C ATOM 148 OG SER A 10 -2.428 19.574 -23.716 1.00 0.00 O ATOM 0 H SER A 10 -3.954 17.802 -24.234 1.00 0.00 H new ATOM 0 HA SER A 10 -5.534 19.404 -22.436 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.377 20.670 -22.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.213 18.958 -21.913 1.00 0.00 H new ATOM 0 HG SER A 10 -1.544 19.738 -23.325 1.00 0.00 H new ATOM 154 N ARG A 11 -6.462 20.369 -24.845 1.00 0.00 N ATOM 155 CA ARG A 11 -7.193 21.328 -25.700 1.00 0.00 C ATOM 156 C ARG A 11 -8.722 21.128 -25.674 1.00 0.00 C ATOM 157 O ARG A 11 -9.434 21.652 -26.531 1.00 0.00 O ATOM 158 CB ARG A 11 -6.606 21.302 -27.128 1.00 0.00 C ATOM 159 CG ARG A 11 -6.739 19.952 -27.859 1.00 0.00 C ATOM 160 CD ARG A 11 -6.161 20.073 -29.275 1.00 0.00 C ATOM 161 NE ARG A 11 -6.248 18.807 -30.032 1.00 0.00 N ATOM 162 CZ ARG A 11 -5.982 18.652 -31.318 1.00 0.00 C ATOM 163 NH1 ARG A 11 -5.610 19.647 -32.074 1.00 0.00 N ATOM 164 NH2 ARG A 11 -6.082 17.487 -31.888 1.00 0.00 N ATOM 0 H ARG A 11 -6.911 19.453 -24.835 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.047 22.326 -25.287 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.100 22.071 -27.722 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.550 21.568 -27.076 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.212 19.174 -27.306 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.787 19.655 -27.907 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.695 20.854 -29.816 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.118 20.384 -29.213 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.540 17.977 -29.516 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.516 20.582 -31.677 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.413 19.491 -33.062 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.369 16.675 -31.342 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.873 17.386 -32.881 1.00 0.00 H new ATOM 178 N LEU A 12 -9.232 20.355 -24.709 1.00 0.00 N ATOM 179 CA LEU A 12 -10.637 19.933 -24.610 1.00 0.00 C ATOM 180 C LEU A 12 -11.573 21.065 -24.141 1.00 0.00 C ATOM 181 O LEU A 12 -12.709 21.167 -24.608 1.00 0.00 O ATOM 182 CB LEU A 12 -10.688 18.725 -23.650 1.00 0.00 C ATOM 183 CG LEU A 12 -12.069 18.060 -23.493 1.00 0.00 C ATOM 184 CD1 LEU A 12 -12.546 17.406 -24.791 1.00 0.00 C ATOM 185 CD2 LEU A 12 -11.991 16.984 -22.408 1.00 0.00 C ATOM 0 H LEU A 12 -8.659 19.992 -23.947 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.001 19.658 -25.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.980 17.974 -24.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.347 19.050 -22.667 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.779 18.842 -23.223 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.523 16.951 -24.631 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.621 18.162 -25.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.834 16.639 -25.095 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.966 16.511 -22.294 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.255 16.233 -22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.696 17.441 -21.463 1.00 0.00 H new ATOM 197 N GLY A 13 -11.100 21.913 -23.226 1.00 0.00 N ATOM 198 CA GLY A 13 -11.857 23.021 -22.632 1.00 0.00 C ATOM 199 C GLY A 13 -11.067 23.740 -21.537 1.00 0.00 C ATOM 200 O GLY A 13 -9.908 23.412 -21.281 1.00 0.00 O ATOM 0 H GLY A 13 -10.148 21.847 -22.865 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.126 23.734 -23.411 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.789 22.639 -22.214 1.00 0.00 H new ATOM 204 N ALA A 14 -11.704 24.677 -20.832 1.00 0.00 N ATOM 205 CA ALA A 14 -11.086 25.461 -19.754 1.00 0.00 C ATOM 206 C ALA A 14 -10.987 24.691 -18.411 1.00 0.00 C ATOM 207 O ALA A 14 -11.185 25.254 -17.333 1.00 0.00 O ATOM 208 CB ALA A 14 -11.820 26.806 -19.648 1.00 0.00 C ATOM 0 H ALA A 14 -12.681 24.919 -20.995 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.043 25.654 -20.005 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.374 27.402 -18.852 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.736 27.342 -20.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.872 26.630 -19.424 1.00 0.00 H new ATOM 214 N VAL A 15 -10.741 23.375 -18.464 1.00 0.00 N ATOM 215 CA VAL A 15 -10.895 22.448 -17.323 1.00 0.00 C ATOM 216 C VAL A 15 -9.755 22.518 -16.303 1.00 0.00 C ATOM 217 O VAL A 15 -9.983 22.310 -15.110 1.00 0.00 O ATOM 218 CB VAL A 15 -11.126 20.999 -17.802 1.00 0.00 C ATOM 219 CG1 VAL A 15 -12.428 20.891 -18.608 1.00 0.00 C ATOM 220 CG2 VAL A 15 -9.982 20.439 -18.659 1.00 0.00 C ATOM 0 H VAL A 15 -10.423 22.911 -19.315 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.785 22.787 -16.793 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.181 20.405 -16.890 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.569 19.861 -18.935 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.269 21.192 -17.983 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -12.372 21.544 -19.479 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.217 19.417 -18.957 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.857 21.057 -19.548 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.058 20.444 -18.081 1.00 0.00 H new ATOM 230 N SER A 16 -8.537 22.827 -16.759 1.00 0.00 N ATOM 231 CA SER A 16 -7.325 22.933 -15.923 1.00 0.00 C ATOM 232 C SER A 16 -6.254 23.879 -16.525 1.00 0.00 C ATOM 233 O SER A 16 -5.155 24.042 -15.990 1.00 0.00 O ATOM 234 CB SER A 16 -6.802 21.504 -15.699 1.00 0.00 C ATOM 235 OG SER A 16 -5.751 21.437 -14.748 1.00 0.00 O ATOM 0 H SER A 16 -8.356 23.016 -17.745 1.00 0.00 H new ATOM 0 HA SER A 16 -7.573 23.395 -14.967 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.625 20.871 -15.367 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.451 21.099 -16.648 1.00 0.00 H new ATOM 0 HG SER A 16 -5.143 22.194 -14.879 1.00 0.00 H new ATOM 241 N TYR A 17 -6.570 24.513 -17.660 1.00 0.00 N ATOM 242 CA TYR A 17 -5.676 25.305 -18.516 1.00 0.00 C ATOM 243 C TYR A 17 -6.503 26.283 -19.378 1.00 0.00 C ATOM 244 O TYR A 17 -7.730 26.196 -19.429 1.00 0.00 O ATOM 245 CB TYR A 17 -4.833 24.348 -19.388 1.00 0.00 C ATOM 246 CG TYR A 17 -5.633 23.270 -20.102 1.00 0.00 C ATOM 247 CD1 TYR A 17 -6.164 23.506 -21.383 1.00 0.00 C ATOM 248 CD2 TYR A 17 -5.881 22.041 -19.458 1.00 0.00 C ATOM 249 CE1 TYR A 17 -6.985 22.539 -21.993 1.00 0.00 C ATOM 250 CE2 TYR A 17 -6.709 21.076 -20.059 1.00 0.00 C ATOM 251 CZ TYR A 17 -7.273 21.329 -21.329 1.00 0.00 C ATOM 252 OH TYR A 17 -8.064 20.401 -21.932 1.00 0.00 O ATOM 0 H TYR A 17 -7.520 24.485 -18.030 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.998 25.900 -17.904 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.295 24.935 -20.132 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.084 23.868 -18.758 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.942 24.429 -21.898 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.432 21.839 -18.497 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.396 22.725 -22.974 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.913 20.145 -19.551 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.164 19.624 -21.343 1.00 0.00 H new ATOM 262 N GLU A 18 -5.845 27.207 -20.083 1.00 0.00 N ATOM 263 CA GLU A 18 -6.466 28.303 -20.860 1.00 0.00 C ATOM 264 C GLU A 18 -7.114 27.881 -22.204 1.00 0.00 C ATOM 265 O GLU A 18 -7.217 28.676 -23.137 1.00 0.00 O ATOM 266 CB GLU A 18 -5.447 29.450 -21.017 1.00 0.00 C ATOM 267 CG GLU A 18 -4.205 29.075 -21.843 1.00 0.00 C ATOM 268 CD GLU A 18 -3.209 30.250 -21.899 1.00 0.00 C ATOM 269 OE1 GLU A 18 -2.397 30.408 -20.953 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.221 31.016 -22.893 1.00 0.00 O ATOM 0 H GLU A 18 -4.826 27.220 -20.136 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.324 28.651 -20.285 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.941 30.299 -21.489 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.127 29.776 -20.027 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.721 28.203 -21.404 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.505 28.798 -22.854 1.00 0.00 H new ATOM 277 N THR A 19 -7.530 26.616 -22.332 1.00 0.00 N ATOM 278 CA THR A 19 -7.982 25.972 -23.591 1.00 0.00 C ATOM 279 C THR A 19 -6.924 25.992 -24.719 1.00 0.00 C ATOM 280 O THR A 19 -7.250 25.832 -25.894 1.00 0.00 O ATOM 281 CB THR A 19 -9.372 26.482 -24.039 1.00 0.00 C ATOM 282 OG1 THR A 19 -10.200 26.718 -22.921 1.00 0.00 O ATOM 283 CG2 THR A 19 -10.155 25.473 -24.883 1.00 0.00 C ATOM 0 H THR A 19 -7.566 25.980 -21.536 1.00 0.00 H new ATOM 0 HA THR A 19 -8.105 24.914 -23.358 1.00 0.00 H new ATOM 0 HB THR A 19 -9.154 27.379 -24.618 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.467 27.661 -22.905 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.119 25.900 -25.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.590 25.237 -25.785 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.314 24.562 -24.306 1.00 0.00 H new ATOM 291 N ASP A 20 -5.642 26.169 -24.364 1.00 0.00 N ATOM 292 CA ASP A 20 -4.470 26.242 -25.255 1.00 0.00 C ATOM 293 C ASP A 20 -4.623 27.259 -26.409 1.00 0.00 C ATOM 294 O ASP A 20 -5.042 26.913 -27.518 1.00 0.00 O ATOM 295 CB ASP A 20 -4.087 24.830 -25.730 1.00 0.00 C ATOM 296 CG ASP A 20 -2.816 24.826 -26.600 1.00 0.00 C ATOM 297 OD1 ASP A 20 -1.828 25.509 -26.234 1.00 0.00 O ATOM 298 OD2 ASP A 20 -2.785 24.120 -27.636 1.00 0.00 O ATOM 0 H ASP A 20 -5.378 26.272 -23.384 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.639 26.641 -24.674 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.932 24.188 -24.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.914 24.404 -26.298 1.00 0.00 H new ATOM 303 N ARG A 21 -4.305 28.535 -26.143 1.00 0.00 N ATOM 304 CA ARG A 21 -4.424 29.643 -27.112 1.00 0.00 C ATOM 305 C ARG A 21 -3.126 29.950 -27.866 1.00 0.00 C ATOM 306 O ARG A 21 -2.026 29.737 -27.349 1.00 0.00 O ATOM 307 CB ARG A 21 -4.957 30.921 -26.438 1.00 0.00 C ATOM 308 CG ARG A 21 -6.260 30.704 -25.651 1.00 0.00 C ATOM 309 CD ARG A 21 -7.145 31.954 -25.661 1.00 0.00 C ATOM 310 NE ARG A 21 -7.797 32.123 -26.972 1.00 0.00 N ATOM 311 CZ ARG A 21 -8.812 32.908 -27.258 1.00 0.00 C ATOM 312 NH1 ARG A 21 -9.287 33.790 -26.440 1.00 0.00 N ATOM 313 NH2 ARG A 21 -9.432 32.794 -28.388 1.00 0.00 N ATOM 0 H ARG A 21 -3.952 28.834 -25.234 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.142 29.297 -27.855 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.195 31.310 -25.763 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.125 31.681 -27.201 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.809 29.866 -26.081 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.023 30.435 -24.622 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.902 31.875 -24.881 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.543 32.833 -25.433 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.419 31.570 -27.742 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.871 33.905 -25.516 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.078 34.371 -26.719 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.134 32.091 -29.065 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.219 33.407 -28.602 1.00 0.00 H new ATOM 327 N ASN A 22 -3.270 30.517 -29.063 1.00 0.00 N ATOM 328 CA ASN A 22 -2.192 31.131 -29.847 1.00 0.00 C ATOM 329 C ASN A 22 -2.591 32.438 -30.574 1.00 0.00 C ATOM 330 O ASN A 22 -1.710 33.256 -30.842 1.00 0.00 O ATOM 331 CB ASN A 22 -1.582 30.080 -30.804 1.00 0.00 C ATOM 332 CG ASN A 22 -2.474 29.568 -31.932 1.00 0.00 C ATOM 333 OD1 ASN A 22 -3.609 29.972 -32.142 1.00 0.00 O ATOM 334 ND2 ASN A 22 -1.972 28.643 -32.718 1.00 0.00 N ATOM 0 H ASN A 22 -4.174 30.565 -29.534 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.429 31.455 -29.140 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.685 30.509 -31.250 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.264 29.224 -30.209 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.527 28.273 -33.489 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.027 28.295 -32.557 1.00 0.00 H new ATOM 341 N HIS A 23 -3.878 32.663 -30.880 1.00 0.00 N ATOM 342 CA HIS A 23 -4.375 33.853 -31.598 1.00 0.00 C ATOM 343 C HIS A 23 -5.905 34.076 -31.501 1.00 0.00 C ATOM 344 O HIS A 23 -6.323 35.149 -31.073 1.00 0.00 O ATOM 345 CB HIS A 23 -3.933 33.809 -33.075 1.00 0.00 C ATOM 346 CG HIS A 23 -4.389 35.012 -33.864 1.00 0.00 C ATOM 347 ND1 HIS A 23 -5.358 35.006 -34.870 1.00 0.00 N ATOM 348 CD2 HIS A 23 -3.946 36.289 -33.680 1.00 0.00 C ATOM 349 CE1 HIS A 23 -5.479 36.285 -35.270 1.00 0.00 C ATOM 350 NE2 HIS A 23 -4.643 37.072 -34.572 1.00 0.00 N ATOM 0 H HIS A 23 -4.621 32.010 -30.631 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.924 34.707 -31.093 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.846 33.742 -33.121 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.328 32.906 -33.540 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.198 36.620 -32.975 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.152 36.630 -36.041 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.542 38.081 -34.684 1.00 0.00 H new ATOM 358 N ASP A 24 -6.800 33.146 -31.858 1.00 0.00 N ATOM 359 CA ASP A 24 -6.572 31.792 -32.391 1.00 0.00 C ATOM 360 C ASP A 24 -6.896 31.655 -33.885 1.00 0.00 C ATOM 361 O ASP A 24 -7.840 32.264 -34.395 1.00 0.00 O ATOM 362 CB ASP A 24 -7.405 30.765 -31.617 1.00 0.00 C ATOM 363 CG ASP A 24 -7.113 30.764 -30.123 1.00 0.00 C ATOM 364 OD1 ASP A 24 -5.946 30.932 -29.717 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.062 30.562 -29.332 1.00 0.00 O ATOM 0 H ASP A 24 -7.798 33.339 -31.774 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.505 31.605 -32.266 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.464 30.972 -31.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.211 29.771 -32.020 1.00 0.00 H new ATOM 370 N LEU A 25 -6.172 30.755 -34.559 1.00 0.00 N ATOM 371 CA LEU A 25 -6.518 30.275 -35.901 1.00 0.00 C ATOM 372 C LEU A 25 -7.376 29.000 -35.786 1.00 0.00 C ATOM 373 O LEU A 25 -6.952 27.885 -36.097 1.00 0.00 O ATOM 374 CB LEU A 25 -5.236 30.073 -36.726 1.00 0.00 C ATOM 375 CG LEU A 25 -4.367 31.332 -36.921 1.00 0.00 C ATOM 376 CD1 LEU A 25 -3.118 30.970 -37.727 1.00 0.00 C ATOM 377 CD2 LEU A 25 -5.103 32.450 -37.663 1.00 0.00 C ATOM 0 H LEU A 25 -5.321 30.335 -34.184 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.118 31.014 -36.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.631 29.306 -36.243 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.513 29.688 -37.708 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.111 31.695 -35.926 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.504 31.860 -37.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.546 30.213 -37.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.414 30.579 -38.700 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.443 33.311 -37.771 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.403 32.096 -38.649 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.988 32.741 -37.097 1.00 0.00 H new ATOM 389 N ALA A 26 -8.603 29.205 -35.312 1.00 0.00 N ATOM 390 CA ALA A 26 -9.638 28.196 -35.065 1.00 0.00 C ATOM 391 C ALA A 26 -11.025 28.870 -34.941 1.00 0.00 C ATOM 392 O ALA A 26 -11.095 30.010 -34.468 1.00 0.00 O ATOM 393 CB ALA A 26 -9.303 27.447 -33.763 1.00 0.00 C ATOM 0 H ALA A 26 -8.925 30.143 -35.073 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.668 27.495 -35.899 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.067 26.694 -33.570 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.332 26.962 -33.862 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.273 28.154 -32.934 1.00 0.00 H new ATOM 399 N PRO A 27 -12.140 28.199 -35.300 1.00 0.00 N ATOM 400 CA PRO A 27 -13.480 28.783 -35.197 1.00 0.00 C ATOM 401 C PRO A 27 -14.029 28.665 -33.759 1.00 0.00 C ATOM 402 O PRO A 27 -14.989 27.936 -33.484 1.00 0.00 O ATOM 403 CB PRO A 27 -14.293 28.009 -36.246 1.00 0.00 C ATOM 404 CG PRO A 27 -13.672 26.613 -36.206 1.00 0.00 C ATOM 405 CD PRO A 27 -12.191 26.901 -35.962 1.00 0.00 C ATOM 0 HA PRO A 27 -13.512 29.855 -35.392 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.354 27.985 -35.997 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.208 28.460 -37.235 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.101 26.003 -35.411 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.830 26.074 -37.140 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.740 26.128 -35.340 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.637 26.919 -36.900 1.00 0.00 H new ATOM 413 N ARG A 28 -13.436 29.428 -32.831 1.00 0.00 N ATOM 414 CA ARG A 28 -13.859 29.557 -31.425 1.00 0.00 C ATOM 415 C ARG A 28 -13.739 30.980 -30.861 1.00 0.00 C ATOM 416 O ARG A 28 -13.107 31.847 -31.463 1.00 0.00 O ATOM 417 CB ARG A 28 -13.113 28.510 -30.582 1.00 0.00 C ATOM 418 CG ARG A 28 -11.650 28.885 -30.299 1.00 0.00 C ATOM 419 CD ARG A 28 -10.888 27.723 -29.657 1.00 0.00 C ATOM 420 NE ARG A 28 -9.554 28.165 -29.219 1.00 0.00 N ATOM 421 CZ ARG A 28 -8.645 27.469 -28.568 1.00 0.00 C ATOM 422 NH1 ARG A 28 -8.785 26.218 -28.252 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.548 28.056 -28.216 1.00 0.00 N ATOM 0 H ARG A 28 -12.616 29.996 -33.045 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.930 29.358 -31.377 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.636 28.377 -29.635 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.141 27.551 -31.099 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.160 29.173 -31.229 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.616 29.752 -29.640 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.449 27.338 -28.805 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.791 26.905 -30.371 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.303 29.127 -29.447 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.637 25.719 -28.509 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.043 25.734 -27.746 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.400 29.039 -28.443 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.831 27.536 -27.711 1.00 0.00 H new ATOM 437 N GLN A 29 -14.300 31.175 -29.668 1.00 0.00 N ATOM 438 CA GLN A 29 -14.152 32.334 -28.780 1.00 0.00 C ATOM 439 C GLN A 29 -14.006 31.833 -27.340 1.00 0.00 C ATOM 440 O GLN A 29 -14.910 31.185 -26.830 1.00 0.00 O ATOM 441 CB GLN A 29 -15.392 33.250 -28.826 1.00 0.00 C ATOM 442 CG GLN A 29 -15.848 33.698 -30.222 1.00 0.00 C ATOM 443 CD GLN A 29 -17.191 33.091 -30.614 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.126 33.774 -31.003 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.320 31.785 -30.528 1.00 0.00 N ATOM 0 H GLN A 29 -14.919 30.473 -29.263 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.279 32.898 -29.109 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.221 32.731 -28.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.184 34.139 -28.231 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.922 34.785 -30.246 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.095 33.413 -30.957 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.539 31.216 -30.203 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.201 31.341 -30.786 1.00 0.00 H new ATOM 454 N ILE A 30 -12.911 32.124 -26.652 1.00 0.00 N ATOM 455 CA ILE A 30 -12.783 31.865 -25.211 1.00 0.00 C ATOM 456 C ILE A 30 -13.130 33.168 -24.478 1.00 0.00 C ATOM 457 O ILE A 30 -12.319 34.095 -24.445 1.00 0.00 O ATOM 458 CB ILE A 30 -11.381 31.333 -24.828 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.784 30.292 -25.804 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.448 30.773 -23.396 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.638 29.050 -26.060 1.00 0.00 C ATOM 0 H ILE A 30 -12.082 32.546 -27.070 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.471 31.074 -24.914 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.695 32.177 -24.891 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.597 30.783 -26.759 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.817 29.971 -25.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.468 30.393 -23.108 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.746 31.565 -22.709 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.177 29.964 -23.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.122 28.391 -26.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.805 28.524 -25.120 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.597 29.349 -26.484 1.00 0.00 H new ATOM 473 N ALA A 31 -14.324 33.259 -23.893 1.00 0.00 N ATOM 474 CA ALA A 31 -14.773 34.441 -23.159 1.00 0.00 C ATOM 475 C ALA A 31 -14.534 34.254 -21.655 1.00 0.00 C ATOM 476 O ALA A 31 -14.244 33.150 -21.190 1.00 0.00 O ATOM 477 CB ALA A 31 -16.247 34.696 -23.499 1.00 0.00 C ATOM 0 H ALA A 31 -15.013 32.507 -23.916 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.200 35.320 -23.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.598 35.575 -22.959 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.349 34.864 -24.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.842 33.830 -23.209 1.00 0.00 H new ATOM 483 N ARG A 32 -14.639 35.334 -20.879 1.00 0.00 N ATOM 484 CA ARG A 32 -14.490 35.314 -19.417 1.00 0.00 C ATOM 485 C ARG A 32 -15.717 35.886 -18.727 1.00 0.00 C ATOM 486 O ARG A 32 -16.410 36.740 -19.283 1.00 0.00 O ATOM 487 CB ARG A 32 -13.197 36.032 -18.999 1.00 0.00 C ATOM 488 CG ARG A 32 -11.991 35.087 -19.081 1.00 0.00 C ATOM 489 CD ARG A 32 -10.651 35.831 -18.973 1.00 0.00 C ATOM 490 NE ARG A 32 -10.113 35.818 -17.599 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.317 36.709 -16.646 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.031 37.782 -16.806 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.810 36.557 -15.461 1.00 0.00 N ATOM 0 H ARG A 32 -14.833 36.264 -21.251 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.408 34.277 -19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.032 36.895 -19.644 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.299 36.409 -17.981 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.058 34.348 -18.282 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.025 34.541 -20.024 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.928 35.373 -19.648 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.783 36.863 -19.299 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.514 35.029 -17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.470 37.973 -17.707 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.153 38.434 -16.031 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.241 35.737 -15.251 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.980 37.258 -14.740 1.00 0.00 H new ATOM 507 N TYR A 33 -15.950 35.425 -17.501 1.00 0.00 N ATOM 508 CA TYR A 33 -17.047 35.871 -16.637 1.00 0.00 C ATOM 509 C TYR A 33 -16.630 35.979 -15.157 1.00 0.00 C ATOM 510 O TYR A 33 -15.930 35.108 -14.635 1.00 0.00 O ATOM 511 CB TYR A 33 -18.253 34.941 -16.799 1.00 0.00 C ATOM 512 CG TYR A 33 -18.863 34.864 -18.184 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.307 34.034 -19.177 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.025 35.602 -18.460 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.936 33.922 -20.433 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.653 35.496 -19.709 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.136 34.621 -20.681 1.00 0.00 C ATOM 518 OH TYR A 33 -20.840 34.409 -21.820 1.00 0.00 O ATOM 0 H TYR A 33 -15.366 34.711 -17.066 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.324 36.877 -16.954 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.952 33.936 -16.502 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.027 35.261 -16.102 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.400 33.484 -18.976 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.438 36.255 -17.706 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.501 33.303 -21.203 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.532 36.085 -19.924 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.494 35.129 -21.939 1.00 0.00 H new ATOM 528 N ARG A 34 -17.080 37.042 -14.472 1.00 0.00 N ATOM 529 CA ARG A 34 -16.808 37.362 -13.054 1.00 0.00 C ATOM 530 C ARG A 34 -18.017 37.055 -12.168 1.00 0.00 C ATOM 531 O ARG A 34 -19.101 37.577 -12.417 1.00 0.00 O ATOM 532 CB ARG A 34 -16.415 38.849 -12.948 1.00 0.00 C ATOM 533 CG ARG A 34 -15.997 39.274 -11.532 1.00 0.00 C ATOM 534 CD ARG A 34 -15.501 40.723 -11.566 1.00 0.00 C ATOM 535 NE ARG A 34 -15.156 41.224 -10.221 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.955 41.327 -9.676 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.857 40.966 -10.276 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.832 41.810 -8.473 1.00 0.00 N ATOM 0 H ARG A 34 -17.676 37.742 -14.913 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.988 36.738 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.594 39.049 -13.636 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.257 39.463 -13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.841 39.182 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.211 38.617 -11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.626 40.791 -12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.271 41.359 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.939 41.528 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.895 40.579 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.959 41.070 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.659 42.107 -7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.908 41.892 -8.048 1.00 0.00 H new ATOM 552 N THR A 35 -17.828 36.230 -11.142 1.00 0.00 N ATOM 553 CA THR A 35 -18.875 35.806 -10.190 1.00 0.00 C ATOM 554 C THR A 35 -19.151 36.878 -9.136 1.00 0.00 C ATOM 555 O THR A 35 -18.481 37.912 -9.076 1.00 0.00 O ATOM 556 CB THR A 35 -18.527 34.501 -9.463 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.378 34.687 -8.692 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.307 33.330 -10.399 1.00 0.00 C ATOM 0 H THR A 35 -16.917 35.820 -10.935 1.00 0.00 H new ATOM 0 HA THR A 35 -19.763 35.644 -10.801 1.00 0.00 H new ATOM 0 HB THR A 35 -19.386 34.256 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.607 34.823 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.065 32.440 -9.818 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.214 33.150 -10.976 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.484 33.556 -11.077 1.00 0.00 H new ATOM 566 N ASP A 36 -20.105 36.613 -8.244 1.00 0.00 N ATOM 567 CA ASP A 36 -20.497 37.566 -7.206 1.00 0.00 C ATOM 568 C ASP A 36 -19.460 37.719 -6.077 1.00 0.00 C ATOM 569 O ASP A 36 -19.479 38.735 -5.379 1.00 0.00 O ATOM 570 CB ASP A 36 -21.883 37.179 -6.675 1.00 0.00 C ATOM 571 CG ASP A 36 -22.492 38.260 -5.762 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.791 39.373 -6.258 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.715 37.986 -4.558 1.00 0.00 O ATOM 0 H ASP A 36 -20.626 35.736 -8.220 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.543 38.556 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.553 37.000 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.808 36.243 -6.122 1.00 0.00 H new ATOM 578 N ASN A 37 -18.505 36.784 -5.932 1.00 0.00 N ATOM 579 CA ASN A 37 -17.376 36.972 -5.003 1.00 0.00 C ATOM 580 C ASN A 37 -16.159 37.658 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.100 37.788 -5.053 1.00 0.00 O ATOM 582 CB ASN A 37 -16.977 35.658 -4.316 1.00 0.00 C ATOM 583 CG ASN A 37 -18.104 34.717 -3.937 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.164 35.095 -3.454 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.875 33.440 -4.125 1.00 0.00 N ATOM 0 H ASN A 37 -18.491 35.900 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.728 37.653 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.295 35.123 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.420 35.903 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.583 32.752 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.989 33.135 -4.528 1.00 0.00 H new ATOM 592 N GLY A 38 -16.278 38.047 -6.948 1.00 0.00 N ATOM 593 CA GLY A 38 -15.172 38.498 -7.801 1.00 0.00 C ATOM 594 C GLY A 38 -14.332 37.376 -8.408 1.00 0.00 C ATOM 595 O GLY A 38 -13.278 37.652 -8.983 1.00 0.00 O ATOM 0 H GLY A 38 -17.177 38.057 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.580 39.105 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.519 39.144 -7.214 1.00 0.00 H new ATOM 599 N GLU A 39 -14.759 36.119 -8.279 1.00 0.00 N ATOM 600 CA GLU A 39 -14.020 34.974 -8.827 1.00 0.00 C ATOM 601 C GLU A 39 -14.225 34.947 -10.348 1.00 0.00 C ATOM 602 O GLU A 39 -15.359 34.848 -10.814 1.00 0.00 O ATOM 603 CB GLU A 39 -14.464 33.642 -8.182 1.00 0.00 C ATOM 604 CG GLU A 39 -14.815 33.758 -6.692 1.00 0.00 C ATOM 605 CD GLU A 39 -14.575 32.501 -5.837 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.568 31.777 -6.028 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.393 32.279 -4.910 1.00 0.00 O ATOM 0 H GLU A 39 -15.620 35.864 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.961 35.089 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.331 33.260 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.667 32.909 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.236 34.577 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.866 34.034 -6.608 1.00 0.00 H new ATOM 614 N GLU A 40 -13.153 35.052 -11.128 1.00 0.00 N ATOM 615 CA GLU A 40 -13.220 35.097 -12.597 1.00 0.00 C ATOM 616 C GLU A 40 -12.837 33.754 -13.237 1.00 0.00 C ATOM 617 O GLU A 40 -11.796 33.170 -12.926 1.00 0.00 O ATOM 618 CB GLU A 40 -12.330 36.224 -13.145 1.00 0.00 C ATOM 619 CG GLU A 40 -12.949 37.600 -12.882 1.00 0.00 C ATOM 620 CD GLU A 40 -12.058 38.783 -13.300 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.162 38.619 -14.164 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.279 39.897 -12.771 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.109 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.257 35.301 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.345 36.171 -12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.185 36.087 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.897 37.667 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.175 37.687 -11.819 1.00 0.00 H new ATOM 629 N PHE A 41 -13.684 33.289 -14.161 1.00 0.00 N ATOM 630 CA PHE A 41 -13.544 32.033 -14.902 1.00 0.00 C ATOM 631 C PHE A 41 -13.651 32.255 -16.411 1.00 0.00 C ATOM 632 O PHE A 41 -14.164 33.270 -16.881 1.00 0.00 O ATOM 633 CB PHE A 41 -14.618 31.032 -14.451 1.00 0.00 C ATOM 634 CG PHE A 41 -14.482 30.583 -13.012 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.961 31.377 -11.951 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.844 29.362 -12.731 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.756 30.958 -10.630 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.608 28.964 -11.405 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.054 29.773 -10.350 1.00 0.00 C ATOM 0 H PHE A 41 -14.525 33.803 -14.424 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.554 31.631 -14.687 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.600 31.484 -14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.577 30.156 -15.099 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.482 32.301 -12.155 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.532 28.723 -13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.142 31.553 -9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.086 28.041 -11.199 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.859 29.487 -9.327 1.00 0.00 H new ATOM 649 N GLU A 42 -13.199 31.263 -17.172 1.00 0.00 N ATOM 650 CA GLU A 42 -13.194 31.244 -18.633 1.00 0.00 C ATOM 651 C GLU A 42 -14.216 30.231 -19.175 1.00 0.00 C ATOM 652 O GLU A 42 -14.322 29.108 -18.674 1.00 0.00 O ATOM 653 CB GLU A 42 -11.794 30.931 -19.195 1.00 0.00 C ATOM 654 CG GLU A 42 -10.622 31.600 -18.454 1.00 0.00 C ATOM 655 CD GLU A 42 -10.001 30.716 -17.348 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.713 29.874 -16.747 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.789 30.873 -17.065 1.00 0.00 O ATOM 0 H GLU A 42 -12.808 30.411 -16.770 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.477 32.243 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.646 29.851 -19.175 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.764 31.238 -20.241 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.848 31.860 -19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.970 32.532 -18.009 1.00 0.00 H new ATOM 664 N VAL A 43 -14.946 30.623 -20.220 1.00 0.00 N ATOM 665 CA VAL A 43 -15.953 29.806 -20.917 1.00 0.00 C ATOM 666 C VAL A 43 -15.665 29.776 -22.431 1.00 0.00 C ATOM 667 O VAL A 43 -15.829 30.795 -23.107 1.00 0.00 O ATOM 668 CB VAL A 43 -17.384 30.309 -20.643 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.415 29.366 -21.273 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.699 30.423 -19.145 1.00 0.00 C ATOM 0 H VAL A 43 -14.852 31.555 -20.624 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.885 28.790 -20.527 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.442 31.303 -21.087 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.420 29.737 -21.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.256 29.321 -22.350 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.303 28.369 -20.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.720 30.782 -19.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.595 29.445 -18.676 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.006 31.124 -18.680 1.00 0.00 H new ATOM 680 N PRO A 44 -15.233 28.628 -22.988 1.00 0.00 N ATOM 681 CA PRO A 44 -15.108 28.409 -24.427 1.00 0.00 C ATOM 682 C PRO A 44 -16.464 28.346 -25.147 1.00 0.00 C ATOM 683 O PRO A 44 -17.362 27.589 -24.767 1.00 0.00 O ATOM 684 CB PRO A 44 -14.336 27.096 -24.592 1.00 0.00 C ATOM 685 CG PRO A 44 -13.612 26.925 -23.262 1.00 0.00 C ATOM 686 CD PRO A 44 -14.592 27.542 -22.272 1.00 0.00 C ATOM 0 HA PRO A 44 -14.587 29.249 -24.886 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.007 26.261 -24.791 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.635 27.147 -25.425 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.416 25.876 -23.039 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.650 27.438 -23.254 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.324 26.808 -21.935 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.076 27.908 -21.385 1.00 0.00 H new ATOM 694 N PHE A 45 -16.578 29.117 -26.223 1.00 0.00 N ATOM 695 CA PHE A 45 -17.683 29.126 -27.194 1.00 0.00 C ATOM 696 C PHE A 45 -17.183 28.789 -28.609 1.00 0.00 C ATOM 697 O PHE A 45 -16.072 29.162 -28.985 1.00 0.00 O ATOM 698 CB PHE A 45 -18.365 30.503 -27.168 1.00 0.00 C ATOM 699 CG PHE A 45 -19.251 30.746 -25.957 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.691 31.236 -24.763 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.641 30.530 -26.028 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.507 31.493 -23.650 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.457 30.789 -24.908 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.886 31.250 -23.708 1.00 0.00 C ATOM 0 H PHE A 45 -15.858 29.799 -26.462 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.406 28.359 -26.916 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.597 31.275 -27.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.967 30.613 -28.070 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.415 -24.702 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.083 30.165 -26.943 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.069 31.881 -22.742 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.524 30.633 -24.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.505 31.415 -22.839 1.00 0.00 H new ATOM 714 N ALA A 46 -18.005 28.143 -29.439 1.00 0.00 N ATOM 715 CA ALA A 46 -17.709 27.881 -30.853 1.00 0.00 C ATOM 716 C ALA A 46 -18.196 29.040 -31.739 1.00 0.00 C ATOM 717 O ALA A 46 -19.104 29.774 -31.352 1.00 0.00 O ATOM 718 CB ALA A 46 -18.344 26.544 -31.251 1.00 0.00 C ATOM 0 H ALA A 46 -18.911 27.780 -29.144 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.631 27.812 -31.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.131 26.338 -32.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.931 25.747 -30.633 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.423 26.595 -31.103 1.00 0.00 H new ATOM 724 N ASP A 47 -17.628 29.217 -32.935 1.00 0.00 N ATOM 725 CA ASP A 47 -17.990 30.315 -33.857 1.00 0.00 C ATOM 726 C ASP A 47 -19.462 30.268 -34.328 1.00 0.00 C ATOM 727 O ASP A 47 -20.021 31.278 -34.758 1.00 0.00 O ATOM 728 CB ASP A 47 -17.026 30.301 -35.048 1.00 0.00 C ATOM 729 CG ASP A 47 -17.076 31.597 -35.872 1.00 0.00 C ATOM 730 OD1 ASP A 47 -16.485 32.605 -35.414 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.630 31.592 -36.996 1.00 0.00 O ATOM 0 H ASP A 47 -16.899 28.603 -33.300 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.896 31.252 -33.308 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.010 30.146 -34.685 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.266 29.456 -35.694 1.00 0.00 H new ATOM 736 N ASP A 48 -20.108 29.100 -34.222 1.00 0.00 N ATOM 737 CA ASP A 48 -21.546 28.908 -34.477 1.00 0.00 C ATOM 738 C ASP A 48 -22.448 29.481 -33.353 1.00 0.00 C ATOM 739 O ASP A 48 -23.645 29.698 -33.557 1.00 0.00 O ATOM 740 CB ASP A 48 -21.794 27.407 -34.681 1.00 0.00 C ATOM 741 CG ASP A 48 -23.229 27.097 -35.143 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.601 27.490 -36.276 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.977 26.418 -34.396 1.00 0.00 O ATOM 0 H ASP A 48 -19.635 28.238 -33.950 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.819 29.467 -35.372 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.089 27.024 -35.419 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.596 26.880 -33.747 1.00 0.00 H new ATOM 748 N ALA A 49 -21.870 29.747 -32.177 1.00 0.00 N ATOM 749 CA ALA A 49 -22.508 30.344 -31.001 1.00 0.00 C ATOM 750 C ALA A 49 -22.107 31.824 -30.808 1.00 0.00 C ATOM 751 O ALA A 49 -21.285 32.378 -31.542 1.00 0.00 O ATOM 752 CB ALA A 49 -22.146 29.479 -29.782 1.00 0.00 C ATOM 0 H ALA A 49 -20.885 29.538 -32.012 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.590 30.358 -31.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.607 29.899 -28.888 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.510 28.463 -29.936 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.063 29.461 -29.657 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.468 -29.790 1.00 0.00 N ATOM 759 CA GLU A 50 -22.337 33.819 -29.323 1.00 0.00 C ATOM 760 C GLU A 50 -22.183 33.861 -27.791 1.00 0.00 C ATOM 761 O GLU A 50 -22.611 32.937 -27.100 1.00 0.00 O ATOM 762 CB GLU A 50 -23.388 34.825 -29.826 1.00 0.00 C ATOM 763 CG GLU A 50 -24.777 34.659 -29.189 1.00 0.00 C ATOM 764 CD GLU A 50 -25.785 35.652 -29.801 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.867 36.812 -29.327 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.510 35.279 -30.755 1.00 0.00 O ATOM 0 H GLU A 50 -23.431 32.047 -29.242 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.369 34.101 -29.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.030 35.836 -29.630 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.482 34.724 -30.907 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.130 33.638 -29.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.710 34.820 -28.113 1.00 0.00 H new ATOM 773 N ILE A 51 -21.584 34.935 -27.265 1.00 0.00 N ATOM 774 CA ILE A 51 -21.355 35.202 -25.838 1.00 0.00 C ATOM 775 C ILE A 51 -22.549 35.995 -25.285 1.00 0.00 C ATOM 776 O ILE A 51 -22.701 37.183 -25.595 1.00 0.00 O ATOM 777 CB ILE A 51 -20.039 35.985 -25.601 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.893 35.539 -26.533 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.599 35.915 -24.128 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.488 34.068 -26.436 1.00 0.00 C ATOM 0 H ILE A 51 -21.225 35.685 -27.856 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.260 34.249 -25.318 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.261 37.023 -25.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.185 35.748 -27.562 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.017 36.152 -26.319 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.673 36.475 -23.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.375 36.346 -23.496 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.437 34.875 -23.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.675 33.868 -27.134 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.157 33.848 -25.421 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.343 33.438 -26.683 1.00 0.00 H new ATOM 792 N PRO A 52 -23.412 35.370 -24.475 1.00 0.00 N ATOM 793 CA PRO A 52 -24.455 36.064 -23.739 1.00 0.00 C ATOM 794 C PRO A 52 -23.836 36.928 -22.632 1.00 0.00 C ATOM 795 O PRO A 52 -22.783 36.596 -22.084 1.00 0.00 O ATOM 796 CB PRO A 52 -25.362 34.961 -23.194 1.00 0.00 C ATOM 797 CG PRO A 52 -24.434 33.758 -23.061 1.00 0.00 C ATOM 798 CD PRO A 52 -23.414 33.954 -24.174 1.00 0.00 C ATOM 0 HA PRO A 52 -25.027 36.754 -24.359 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.797 35.239 -22.234 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.191 34.754 -23.871 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.956 33.729 -22.082 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.977 32.820 -23.178 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.425 33.622 -23.859 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.681 33.369 -25.054 1.00 0.00 H new ATOM 806 N GLY A 53 -24.516 38.023 -22.284 1.00 0.00 N ATOM 807 CA GLY A 53 -24.102 39.000 -21.262 1.00 0.00 C ATOM 808 C GLY A 53 -23.691 38.394 -19.913 1.00 0.00 C ATOM 809 O GLY A 53 -22.832 38.950 -19.225 1.00 0.00 O ATOM 0 H GLY A 53 -25.405 38.267 -22.720 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.265 39.579 -21.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.922 39.698 -21.095 1.00 0.00 H new ATOM 813 N THR A 54 -24.266 37.247 -19.532 1.00 0.00 N ATOM 814 CA THR A 54 -23.814 36.461 -18.379 1.00 0.00 C ATOM 815 C THR A 54 -23.844 34.944 -18.653 1.00 0.00 C ATOM 816 O THR A 54 -24.547 34.480 -19.556 1.00 0.00 O ATOM 817 CB THR A 54 -24.698 36.734 -17.145 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.048 36.391 -17.393 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.756 38.199 -16.721 1.00 0.00 C ATOM 0 H THR A 54 -25.063 36.836 -20.018 1.00 0.00 H new ATOM 0 HA THR A 54 -22.786 36.770 -18.192 1.00 0.00 H new ATOM 0 HB THR A 54 -24.230 36.131 -16.367 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.584 36.573 -16.593 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.399 38.300 -15.847 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.753 38.547 -16.475 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.158 38.799 -17.538 1.00 0.00 H new ATOM 827 N TRP A 55 -23.082 34.163 -17.876 1.00 0.00 N ATOM 828 CA TRP A 55 -22.957 32.699 -17.982 1.00 0.00 C ATOM 829 C TRP A 55 -22.491 32.073 -16.655 1.00 0.00 C ATOM 830 O TRP A 55 -21.757 32.697 -15.889 1.00 0.00 O ATOM 831 CB TRP A 55 -21.980 32.331 -19.106 1.00 0.00 C ATOM 832 CG TRP A 55 -21.993 30.896 -19.530 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.184 29.935 -19.044 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.816 30.236 -20.539 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.409 28.745 -19.700 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.412 28.870 -20.637 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.853 30.662 -21.393 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.998 27.977 -21.548 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.454 29.774 -22.309 1.00 0.00 C ATOM 840 CH2 TRP A 55 -24.026 28.436 -22.389 1.00 0.00 C ATOM 0 H TRP A 55 -22.511 34.548 -17.124 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.944 32.298 -18.214 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.204 32.950 -19.975 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.971 32.587 -18.784 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.462 30.077 -18.253 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.898 27.881 -19.516 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.193 31.686 -21.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.663 26.952 -21.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.248 30.123 -22.953 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.487 27.762 -23.096 1.00 0.00 H new ATOM 851 N LEU A 56 -22.920 30.845 -16.349 1.00 0.00 N ATOM 852 CA LEU A 56 -22.565 30.141 -15.110 1.00 0.00 C ATOM 853 C LEU A 56 -21.069 29.763 -15.075 1.00 0.00 C ATOM 854 O LEU A 56 -20.556 29.109 -15.987 1.00 0.00 O ATOM 855 CB LEU A 56 -23.478 28.907 -14.955 1.00 0.00 C ATOM 856 CG LEU A 56 -24.104 28.758 -13.559 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.165 27.658 -13.578 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.067 28.384 -12.505 1.00 0.00 C ATOM 0 H LEU A 56 -23.531 30.304 -16.961 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.725 30.807 -14.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.276 28.965 -15.695 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.900 28.011 -15.179 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.541 29.723 -13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.604 27.559 -12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.944 27.916 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.705 26.713 -13.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.553 28.289 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.602 27.435 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.303 29.160 -12.454 1.00 0.00 H new ATOM 870 N CYS A 57 -20.375 30.152 -14.007 1.00 0.00 N ATOM 871 CA CYS A 57 -18.947 29.894 -13.802 1.00 0.00 C ATOM 872 C CYS A 57 -18.680 28.581 -13.051 1.00 0.00 C ATOM 873 O CYS A 57 -19.563 28.033 -12.384 1.00 0.00 O ATOM 874 CB CYS A 57 -18.325 31.076 -13.050 1.00 0.00 C ATOM 875 SG CYS A 57 -18.220 32.512 -14.142 1.00 0.00 S ATOM 0 H CYS A 57 -20.800 30.670 -13.238 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.486 29.786 -14.784 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.318 -12.174 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.331 30.808 -12.691 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.694 33.510 -13.497 1.00 0.00 H new ATOM 881 N ARG A 58 -17.425 28.106 -13.083 1.00 0.00 N ATOM 882 CA ARG A 58 -17.017 26.820 -12.478 1.00 0.00 C ATOM 883 C ARG A 58 -17.046 26.814 -10.938 1.00 0.00 C ATOM 884 O ARG A 58 -17.044 25.743 -10.331 1.00 0.00 O ATOM 885 CB ARG A 58 -15.653 26.343 -13.030 1.00 0.00 C ATOM 886 CG ARG A 58 -15.484 26.536 -14.551 1.00 0.00 C ATOM 887 CD ARG A 58 -14.229 25.864 -15.126 1.00 0.00 C ATOM 888 NE ARG A 58 -12.957 26.470 -14.688 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.263 27.396 -15.328 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.673 27.995 -16.404 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.120 27.821 -14.883 1.00 0.00 N ATOM 0 H ARG A 58 -16.656 28.604 -13.532 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.776 26.099 -12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.857 26.882 -12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.527 25.287 -12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.363 26.137 -15.058 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.446 27.603 -14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.233 24.812 -14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.279 25.900 -16.214 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.574 26.141 -13.802 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.581 27.759 -16.805 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.087 28.702 -16.849 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.735 27.440 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.606 28.536 -15.398 1.00 0.00 H new ATOM 905 N ASN A 59 -17.152 27.991 -10.306 1.00 0.00 N ATOM 906 CA ASN A 59 -17.439 28.157 -8.870 1.00 0.00 C ATOM 907 C ASN A 59 -18.886 27.751 -8.488 1.00 0.00 C ATOM 908 O ASN A 59 -19.193 27.517 -7.319 1.00 0.00 O ATOM 909 CB ASN A 59 -17.176 29.639 -8.537 1.00 0.00 C ATOM 910 CG ASN A 59 -17.403 30.070 -7.094 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.219 29.326 -6.141 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.748 31.323 -6.891 1.00 0.00 N ATOM 0 H ASN A 59 -17.038 28.881 -10.791 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.797 27.493 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.144 29.868 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.813 30.249 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.862 31.673 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.902 31.945 -7.685 1.00 0.00 H new ATOM 919 N GLY A 60 -19.781 27.651 -9.475 1.00 0.00 N ATOM 920 CA GLY A 60 -21.211 27.384 -9.290 1.00 0.00 C ATOM 921 C GLY A 60 -22.061 28.651 -9.127 1.00 0.00 C ATOM 922 O GLY A 60 -23.223 28.552 -8.726 1.00 0.00 O ATOM 0 H GLY A 60 -19.522 27.757 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.579 26.818 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.343 26.754 -8.411 1.00 0.00 H new ATOM 926 N MET A 61 -21.502 29.833 -9.429 1.00 0.00 N ATOM 927 CA MET A 61 -22.198 31.123 -9.394 1.00 0.00 C ATOM 928 C MET A 61 -22.355 31.712 -10.802 1.00 0.00 C ATOM 929 O MET A 61 -21.505 31.513 -11.672 1.00 0.00 O ATOM 930 CB MET A 61 -21.453 32.074 -8.439 1.00 0.00 C ATOM 931 CG MET A 61 -22.269 33.319 -8.055 1.00 0.00 C ATOM 932 SD MET A 61 -23.911 32.978 -7.354 1.00 0.00 S ATOM 933 CE MET A 61 -24.539 34.667 -7.156 1.00 0.00 C ATOM 0 H MET A 61 -20.526 29.917 -9.712 1.00 0.00 H new ATOM 0 HA MET A 61 -23.210 30.979 -9.014 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.186 31.530 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.521 32.390 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.696 33.901 -7.333 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.391 33.942 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.569 34.633 -6.801 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.923 35.202 -6.433 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.503 35.183 -8.115 1.00 0.00 H new ATOM 943 N GLU A 62 -23.432 32.463 -11.031 1.00 0.00 N ATOM 944 CA GLU A 62 -23.671 33.188 -12.284 1.00 0.00 C ATOM 945 C GLU A 62 -22.641 34.318 -12.456 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.305 -11.716 1.00 0.00 O ATOM 947 CB GLU A 62 -25.112 33.726 -12.328 1.00 0.00 C ATOM 948 CG GLU A 62 -26.146 32.594 -12.407 1.00 0.00 C ATOM 949 CD GLU A 62 -27.577 33.158 -12.502 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.199 33.432 -11.446 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.098 33.321 -13.632 1.00 0.00 O ATOM 0 H GLU A 62 -24.175 32.588 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.549 32.498 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.301 34.329 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.227 34.383 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.940 31.968 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.060 31.956 -11.527 1.00 0.00 H new ATOM 958 N GLY A 63 -21.735 34.149 -13.419 1.00 0.00 N ATOM 959 CA GLY A 63 -20.713 35.125 -13.784 1.00 0.00 C ATOM 960 C GLY A 63 -21.194 36.133 -14.829 1.00 0.00 C ATOM 961 O GLY A 63 -21.995 35.795 -15.700 1.00 0.00 O ATOM 0 H GLY A 63 -21.692 33.301 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.395 35.661 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.839 34.600 -14.169 1.00 0.00 H new ATOM 965 N THR A 64 -20.661 37.356 -14.796 1.00 0.00 N ATOM 966 CA THR A 64 -20.951 38.407 -15.789 1.00 0.00 C ATOM 967 C THR A 64 -19.759 38.676 -16.705 1.00 0.00 C ATOM 968 O THR A 64 -18.616 38.716 -16.248 1.00 0.00 O ATOM 969 CB THR A 64 -21.402 39.712 -15.112 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.516 39.474 -14.276 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.820 40.796 -16.113 1.00 0.00 C ATOM 0 H THR A 64 -20.007 37.654 -14.072 1.00 0.00 H new ATOM 0 HA THR A 64 -21.770 38.033 -16.404 1.00 0.00 H new ATOM 0 HB THR A 64 -20.538 40.061 -14.547 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.791 40.313 -13.851 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.127 41.691 -15.573 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.978 41.035 -16.763 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.652 40.433 -16.716 1.00 0.00 H new ATOM 979 N LEU A 65 -20.034 38.841 -18.000 1.00 0.00 N ATOM 980 CA LEU A 65 -19.059 38.905 -19.092 1.00 0.00 C ATOM 981 C LEU A 65 -18.068 40.074 -18.911 1.00 0.00 C ATOM 982 O LEU A 65 -18.469 41.240 -18.855 1.00 0.00 O ATOM 983 CB LEU A 65 -19.882 38.990 -20.398 1.00 0.00 C ATOM 984 CG LEU A 65 -19.183 38.814 -21.761 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.201 39.123 -22.864 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.974 39.708 -22.019 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.939 -18.334 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.421 38.022 -19.112 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.667 38.236 -20.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.374 39.963 -20.409 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.813 37.789 -21.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.728 39.005 -23.839 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -21.044 38.437 -22.784 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.556 40.148 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.567 39.494 -23.007 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.278 40.754 -21.970 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.212 39.516 -21.264 1.00 0.00 H new ATOM 998 N ILE A 66 -16.772 39.752 -18.870 1.00 0.00 N ATOM 999 CA ILE A 66 -15.636 40.681 -18.983 1.00 0.00 C ATOM 1000 C ILE A 66 -14.705 40.242 -20.125 1.00 0.00 C ATOM 1001 O ILE A 66 -14.683 39.070 -20.508 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.868 40.856 -17.650 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.082 39.610 -17.176 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.784 41.412 -16.544 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.896 38.445 -16.639 1.00 0.00 C ATOM 0 H ILE A 66 -16.467 38.786 -18.751 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.040 41.665 -19.222 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.096 41.594 -17.867 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.484 39.248 -18.012 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.386 39.924 -16.398 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.214 41.523 -15.621 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.174 42.383 -16.849 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.613 40.724 -16.378 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.225 37.639 -16.342 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.474 38.773 -15.775 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.573 38.087 -17.414 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.933 41.169 -20.692 1.00 0.00 N ATOM 1018 CA GLU A 67 -13.095 40.904 -21.868 1.00 0.00 C ATOM 1019 C GLU A 67 -11.998 39.849 -21.601 1.00 0.00 C ATOM 1020 O GLU A 67 -11.105 40.037 -20.771 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.529 42.204 -22.477 1.00 0.00 C ATOM 1022 CG GLU A 67 -11.829 43.183 -21.517 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.811 44.201 -20.900 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.511 43.856 -19.917 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.890 45.352 -21.394 1.00 0.00 O ATOM 0 H GLU A 67 -13.869 42.128 -20.350 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.751 40.463 -22.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.819 41.930 -23.258 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.348 42.734 -22.963 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.343 42.621 -20.719 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.045 43.717 -22.054 1.00 0.00 H new ATOM 1032 N GLY A 68 -12.078 38.725 -22.324 1.00 0.00 N ATOM 1033 CA GLY A 68 -11.136 37.598 -22.237 1.00 0.00 C ATOM 1034 C GLY A 68 -10.705 36.980 -23.576 1.00 0.00 C ATOM 1035 O GLY A 68 -9.742 36.214 -23.596 1.00 0.00 O ATOM 0 H GLY A 68 -12.820 38.568 -23.006 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.243 37.935 -21.710 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.590 36.817 -21.627 1.00 0.00 H new ATOM 1039 N ASP A 69 -11.348 37.319 -24.702 1.00 0.00 N ATOM 1040 CA ASP A 69 -11.099 36.670 -26.005 1.00 0.00 C ATOM 1041 C ASP A 69 -9.913 37.274 -26.796 1.00 0.00 C ATOM 1042 O ASP A 69 -9.912 37.357 -28.024 1.00 0.00 O ATOM 1043 CB ASP A 69 -12.407 36.521 -26.802 1.00 0.00 C ATOM 1044 CG ASP A 69 -12.270 35.534 -27.978 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -11.603 34.482 -27.808 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -12.867 35.787 -29.048 1.00 0.00 O ATOM 0 H ASP A 69 -12.057 38.051 -24.739 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.750 35.657 -25.803 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.199 36.179 -26.135 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.710 37.496 -27.183 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.894 37.727 -26.063 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.668 38.363 -26.555 1.00 0.00 C ATOM 1053 C LEU A 70 -6.650 37.312 -27.076 1.00 0.00 C ATOM 1054 O LEU A 70 -6.762 36.139 -26.700 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.117 39.245 -25.411 1.00 0.00 C ATOM 1056 CG LEU A 70 -7.764 40.643 -25.303 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -9.250 40.621 -24.928 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -7.033 41.455 -24.234 1.00 0.00 C ATOM 0 H LEU A 70 -8.903 37.655 -25.046 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.873 38.994 -27.420 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.259 38.720 -24.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.043 39.367 -25.550 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.682 41.084 -26.296 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.627 41.642 -24.873 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.808 40.069 -25.684 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.374 40.136 -23.960 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.486 42.443 -24.154 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.107 40.943 -23.274 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.984 41.559 -24.510 1.00 0.00 H new ATOM 1070 N PRO A 71 -5.655 37.686 -27.920 1.00 0.00 N ATOM 1071 CA PRO A 71 -5.240 39.055 -28.280 1.00 0.00 C ATOM 1072 C PRO A 71 -6.182 39.857 -29.194 1.00 0.00 C ATOM 1073 O PRO A 71 -6.244 41.080 -29.073 1.00 0.00 O ATOM 1074 CB PRO A 71 -3.870 38.902 -28.960 1.00 0.00 C ATOM 1075 CG PRO A 71 -3.334 37.584 -28.415 1.00 0.00 C ATOM 1076 CD PRO A 71 -4.609 36.756 -28.333 1.00 0.00 C ATOM 0 HA PRO A 71 -5.237 39.642 -27.361 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.964 38.877 -30.046 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.208 39.733 -28.717 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.594 37.135 -29.078 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.858 37.704 -27.442 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.845 36.303 -29.296 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.502 35.942 -27.616 1.00 0.00 H new ATOM 1084 N GLU A 72 -6.911 39.200 -30.101 1.00 0.00 N ATOM 1085 CA GLU A 72 -7.671 39.843 -31.187 1.00 0.00 C ATOM 1086 C GLU A 72 -9.124 39.326 -31.281 1.00 0.00 C ATOM 1087 O GLU A 72 -9.423 38.480 -32.133 1.00 0.00 O ATOM 1088 CB GLU A 72 -6.924 39.721 -32.530 1.00 0.00 C ATOM 1089 CG GLU A 72 -5.594 40.489 -32.534 1.00 0.00 C ATOM 1090 CD GLU A 72 -5.119 40.782 -33.970 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -4.543 39.876 -34.621 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -5.317 41.921 -34.460 1.00 0.00 O ATOM 0 H GLU A 72 -6.994 38.183 -30.104 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.746 40.903 -30.944 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.733 38.669 -32.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.560 40.097 -33.331 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.711 41.426 -31.990 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.835 39.908 -32.009 1.00 0.00 H new ATOM 1099 N PRO A 73 -10.052 39.816 -30.429 1.00 0.00 N ATOM 1100 CA PRO A 73 -11.492 39.518 -30.495 1.00 0.00 C ATOM 1101 C PRO A 73 -12.186 40.228 -31.678 1.00 0.00 C ATOM 1102 O PRO A 73 -13.121 41.021 -31.531 1.00 0.00 O ATOM 1103 CB PRO A 73 -12.033 39.955 -29.131 1.00 0.00 C ATOM 1104 CG PRO A 73 -11.147 41.149 -28.792 1.00 0.00 C ATOM 1105 CD PRO A 73 -9.781 40.696 -29.299 1.00 0.00 C ATOM 0 HA PRO A 73 -11.688 38.462 -30.684 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.086 40.232 -29.182 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.948 39.162 -28.388 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.484 42.059 -29.289 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.135 41.356 -27.722 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.174 41.549 -29.603 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.228 40.173 -28.519 1.00 0.00 H new ATOM 1113 N LYS A 74 -11.722 39.922 -32.890 1.00 0.00 N ATOM 1114 CA LYS A 74 -12.103 40.544 -34.174 1.00 0.00 C ATOM 1115 C LYS A 74 -13.368 39.903 -34.778 1.00 0.00 C ATOM 1116 O LYS A 74 -13.383 39.468 -35.932 1.00 0.00 O ATOM 1117 CB LYS A 74 -10.864 40.551 -35.097 1.00 0.00 C ATOM 1118 CG LYS A 74 -10.979 41.563 -36.250 1.00 0.00 C ATOM 1119 CD LYS A 74 -9.701 41.562 -37.105 1.00 0.00 C ATOM 1120 CE LYS A 74 -9.742 42.609 -38.229 1.00 0.00 C ATOM 1121 NZ LYS A 74 -10.724 42.269 -39.293 1.00 0.00 N ATOM 0 H LYS A 74 -11.026 39.188 -33.017 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.401 41.582 -34.025 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.978 40.782 -34.505 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.720 39.553 -35.510 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.839 41.316 -36.873 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.153 42.561 -35.848 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.840 41.755 -36.465 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.560 40.573 -37.540 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.993 43.581 -37.805 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.750 42.701 -38.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.711 43.007 -40.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.472 41.354 -39.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.676 42.208 -38.880 1.00 0.00 H new ATOM 1135 N LYS A 75 -14.423 39.797 -33.961 1.00 0.00 N ATOM 1136 CA LYS A 75 -15.691 39.087 -34.248 1.00 0.00 C ATOM 1137 C LYS A 75 -16.928 39.979 -34.037 1.00 0.00 C ATOM 1138 O LYS A 75 -17.954 39.540 -33.515 1.00 0.00 O ATOM 1139 CB LYS A 75 -15.735 37.760 -33.459 1.00 0.00 C ATOM 1140 CG LYS A 75 -14.663 36.766 -33.940 1.00 0.00 C ATOM 1141 CD LYS A 75 -14.763 35.433 -33.185 1.00 0.00 C ATOM 1142 CE LYS A 75 -13.742 34.400 -33.681 1.00 0.00 C ATOM 1143 NZ LYS A 75 -14.054 33.911 -35.050 1.00 0.00 N ATOM 0 H LYS A 75 -14.423 40.223 -33.034 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.721 38.836 -35.308 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.590 37.964 -32.398 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.721 37.308 -33.565 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.780 36.591 -35.009 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.672 37.196 -33.794 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.609 35.609 -32.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.769 35.029 -33.299 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.747 34.844 -33.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.719 33.555 -32.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.433 33.110 -35.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.046 33.602 -35.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.902 34.678 -35.736 1.00 0.00 H new ATOM 1157 N VAL A 76 -16.822 41.247 -34.447 1.00 0.00 N ATOM 1158 CA VAL A 76 -17.888 42.268 -34.391 1.00 0.00 C ATOM 1159 C VAL A 76 -18.219 42.755 -35.808 1.00 0.00 C ATOM 1160 O VAL A 76 -17.311 43.021 -36.602 1.00 0.00 O ATOM 1161 CB VAL A 76 -17.490 43.440 -33.467 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -18.612 44.481 -33.341 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -17.156 42.952 -32.049 1.00 0.00 C ATOM 0 H VAL A 76 -15.956 41.611 -34.845 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.784 41.816 -33.965 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.613 43.893 -33.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.288 45.287 -32.682 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -18.843 44.888 -34.325 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -19.502 44.008 -32.926 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.880 43.803 -31.427 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -18.027 42.456 -31.620 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.323 42.250 -32.093 1.00 0.00 H new ATOM 1173 N LYS A 77 -19.514 42.869 -36.129 1.00 0.00 N ATOM 1174 CA LYS A 77 -20.041 43.274 -37.448 1.00 0.00 C ATOM 1175 C LYS A 77 -21.383 44.026 -37.336 1.00 0.00 C ATOM 1176 O LYS A 77 -22.142 43.758 -36.397 1.00 0.00 O ATOM 1177 CB LYS A 77 -20.195 42.040 -38.367 1.00 0.00 C ATOM 1178 CG LYS A 77 -20.955 40.862 -37.723 1.00 0.00 C ATOM 1179 CD LYS A 77 -21.287 39.740 -38.718 1.00 0.00 C ATOM 1180 CE LYS A 77 -22.439 40.136 -39.654 1.00 0.00 C ATOM 1181 NZ LYS A 77 -22.830 39.008 -40.538 1.00 0.00 N ATOM 0 H LYS A 77 -20.255 42.676 -35.455 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.319 43.963 -37.886 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -20.717 42.341 -39.276 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -19.204 41.698 -38.666 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.356 40.452 -36.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.880 41.233 -37.281 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.402 39.504 -39.309 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.556 38.836 -38.171 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.298 40.452 -39.063 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.139 40.990 -40.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.575 39.322 -41.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.003 38.690 -41.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.187 38.221 -39.959 1.00 0.00 H new ATOM 1195 N PRO A 78 -21.716 44.926 -38.283 1.00 0.00 N ATOM 1196 CA PRO A 78 -23.049 45.520 -38.392 1.00 0.00 C ATOM 1197 C PRO A 78 -24.083 44.514 -38.954 1.00 0.00 C ATOM 1198 O PRO A 78 -23.695 43.504 -39.556 1.00 0.00 O ATOM 1199 CB PRO A 78 -22.865 46.722 -39.325 1.00 0.00 C ATOM 1200 CG PRO A 78 -21.758 46.254 -40.268 1.00 0.00 C ATOM 1201 CD PRO A 78 -20.858 45.421 -39.355 1.00 0.00 C ATOM 0 HA PRO A 78 -23.443 45.814 -37.419 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -23.782 46.959 -39.864 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -22.577 47.619 -38.777 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -22.154 45.662 -41.093 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -21.220 47.094 -40.708 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -20.404 44.596 -39.903 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -20.043 46.025 -38.955 1.00 0.00 H new ATOM 1209 N PRO A 79 -25.399 44.781 -38.817 1.00 0.00 N ATOM 1210 CA PRO A 79 -26.450 43.981 -39.452 1.00 0.00 C ATOM 1211 C PRO A 79 -26.356 44.005 -40.995 1.00 0.00 C ATOM 1212 O PRO A 79 -26.193 45.075 -41.587 1.00 0.00 O ATOM 1213 CB PRO A 79 -27.779 44.577 -38.966 1.00 0.00 C ATOM 1214 CG PRO A 79 -27.405 45.295 -37.671 1.00 0.00 C ATOM 1215 CD PRO A 79 -25.996 45.800 -37.967 1.00 0.00 C ATOM 0 HA PRO A 79 -26.353 42.931 -39.177 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -28.200 45.266 -39.698 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -28.525 43.802 -38.792 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -28.090 46.113 -37.448 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -27.423 44.622 -36.814 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -26.021 46.767 -38.469 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -25.424 45.932 -37.049 1.00 0.00 H new ATOM 1223 N ARG A 80 -26.485 42.879 -41.709 1.00 0.00 N ATOM 1224 CA ARG A 80 -26.526 41.477 -41.243 1.00 0.00 C ATOM 1225 C ARG A 80 -25.903 40.522 -42.271 1.00 0.00 C ATOM 1226 O ARG A 80 -25.214 39.572 -41.834 1.00 0.00 O ATOM 1227 CB ARG A 80 -27.963 41.062 -40.860 1.00 0.00 C ATOM 1228 CG ARG A 80 -28.992 41.149 -42.001 1.00 0.00 C ATOM 1229 CD ARG A 80 -30.389 40.761 -41.503 1.00 0.00 C ATOM 1230 NE ARG A 80 -31.391 40.834 -42.582 1.00 0.00 N ATOM 1231 CZ ARG A 80 -32.679 40.568 -42.479 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -33.225 40.195 -41.356 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -33.456 40.672 -43.517 1.00 0.00 N ATOM 1234 OXT ARG A 80 -26.064 40.744 -43.492 1.00 0.00 O ATOM 0 H ARG A 80 -26.572 42.926 -42.724 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.918 41.406 -40.341 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -27.942 40.038 -40.487 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -28.300 41.693 -40.038 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -29.012 42.162 -42.402 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -28.695 40.489 -42.816 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -30.363 39.749 -41.098 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -30.682 41.423 -40.688 1.00 0.00 H new ATOM 0 HE ARG A 80 -31.054 41.119 -43.502 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -32.652 40.100 -40.517 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -34.225 39.998 -41.316 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -33.070 40.960 -44.416 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -34.451 40.465 -43.432 1.00 0.00 H new TER 1248 ARG A 80