USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 527 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 36 HIS :FLIP no HD1:sc= -0.807 F(o=-2.1!,f=-0.95) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= -0.808 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -58:sc= 1.51 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 177:sc= -1.9 (180deg=-2) USER MOD Single : A 37 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 44 MET CE :methyl -114:sc=-0.00346 (180deg=-0.176) USER MOD Single : A 48 ASN : amide:sc= -1.1 K(o=-1.1,f=-9.1!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 54 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.69) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.821 5.219 -1.036 1.00 0.00 N ATOM 2 CA GLY A 1 -20.590 6.579 -0.584 1.00 0.00 C ATOM 3 C GLY A 1 -19.797 7.395 -1.585 1.00 0.00 C ATOM 4 O GLY A 1 -18.892 6.878 -2.241 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.831 5.091 -1.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.261 5.038 -1.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.537 4.552 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.548 7.065 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.057 6.557 0.366 1.00 0.00 H new ATOM 8 N SER A 2 -20.136 8.675 -1.704 1.00 0.00 N ATOM 9 CA SER A 2 -19.453 9.563 -2.637 1.00 0.00 C ATOM 10 C SER A 2 -18.005 9.789 -2.210 1.00 0.00 C ATOM 11 O SER A 2 -17.685 9.758 -1.022 1.00 0.00 O ATOM 12 CB SER A 2 -20.185 10.904 -2.726 1.00 0.00 C ATOM 13 OG SER A 2 -19.897 11.562 -3.948 1.00 0.00 O ATOM 0 H SER A 2 -20.880 9.120 -1.166 1.00 0.00 H new ATOM 0 HA SER A 2 -19.455 9.090 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.260 10.742 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.891 11.538 -1.890 1.00 0.00 H new ATOM 0 HG SER A 2 -20.378 12.415 -3.981 1.00 0.00 H new ATOM 19 N SER A 3 -17.135 10.016 -3.189 1.00 0.00 N ATOM 20 CA SER A 3 -15.721 10.243 -2.917 1.00 0.00 C ATOM 21 C SER A 3 -15.538 11.337 -1.870 1.00 0.00 C ATOM 22 O SER A 3 -14.987 11.098 -0.796 1.00 0.00 O ATOM 23 CB SER A 3 -14.987 10.625 -4.204 1.00 0.00 C ATOM 24 OG SER A 3 -14.510 9.475 -4.880 1.00 0.00 O ATOM 0 H SER A 3 -17.385 10.048 -4.177 1.00 0.00 H new ATOM 0 HA SER A 3 -15.298 9.317 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.658 11.182 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.152 11.284 -3.968 1.00 0.00 H new ATOM 0 HG SER A 3 -14.046 9.746 -5.700 1.00 0.00 H new ATOM 30 N GLY A 4 -16.005 12.540 -2.191 1.00 0.00 N ATOM 31 CA GLY A 4 -15.883 13.653 -1.269 1.00 0.00 C ATOM 32 C GLY A 4 -14.439 14.019 -0.988 1.00 0.00 C ATOM 33 O GLY A 4 -13.830 14.784 -1.735 1.00 0.00 O ATOM 0 H GLY A 4 -16.466 12.763 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.401 14.520 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.379 13.400 -0.332 1.00 0.00 H new ATOM 37 N SER A 5 -13.891 13.473 0.092 1.00 0.00 N ATOM 38 CA SER A 5 -12.511 13.750 0.473 1.00 0.00 C ATOM 39 C SER A 5 -11.555 13.414 -0.667 1.00 0.00 C ATOM 40 O SER A 5 -11.608 12.323 -1.235 1.00 0.00 O ATOM 41 CB SER A 5 -12.134 12.952 1.722 1.00 0.00 C ATOM 42 OG SER A 5 -10.806 13.236 2.128 1.00 0.00 O ATOM 0 H SER A 5 -14.382 12.836 0.719 1.00 0.00 H new ATOM 0 HA SER A 5 -12.428 14.814 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.824 13.191 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.236 11.886 1.520 1.00 0.00 H new ATOM 0 HG SER A 5 -10.590 12.715 2.929 1.00 0.00 H new ATOM 48 N SER A 6 -10.681 14.359 -0.996 1.00 0.00 N ATOM 49 CA SER A 6 -9.714 14.166 -2.071 1.00 0.00 C ATOM 50 C SER A 6 -9.114 12.765 -2.017 1.00 0.00 C ATOM 51 O SER A 6 -8.440 12.403 -1.053 1.00 0.00 O ATOM 52 CB SER A 6 -8.603 15.213 -1.980 1.00 0.00 C ATOM 53 OG SER A 6 -9.023 16.452 -2.526 1.00 0.00 O ATOM 0 H SER A 6 -10.622 15.266 -0.534 1.00 0.00 H new ATOM 0 HA SER A 6 -10.236 14.282 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.313 15.351 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.720 14.858 -2.512 1.00 0.00 H new ATOM 0 HG SER A 6 -8.690 17.185 -1.967 1.00 0.00 H new ATOM 59 N GLY A 7 -9.365 11.979 -3.060 1.00 0.00 N ATOM 60 CA GLY A 7 -8.843 10.626 -3.112 1.00 0.00 C ATOM 61 C GLY A 7 -7.328 10.587 -3.086 1.00 0.00 C ATOM 62 O GLY A 7 -6.674 10.967 -4.057 1.00 0.00 O ATOM 0 H GLY A 7 -9.920 12.255 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.232 10.057 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.200 10.137 -4.018 1.00 0.00 H new ATOM 66 N ARG A 8 -6.769 10.128 -1.971 1.00 0.00 N ATOM 67 CA ARG A 8 -5.321 10.045 -1.821 1.00 0.00 C ATOM 68 C ARG A 8 -4.795 8.717 -2.359 1.00 0.00 C ATOM 69 O ARG A 8 -5.122 7.651 -1.836 1.00 0.00 O ATOM 70 CB ARG A 8 -4.929 10.204 -0.351 1.00 0.00 C ATOM 71 CG ARG A 8 -3.466 9.897 -0.075 1.00 0.00 C ATOM 72 CD ARG A 8 -3.050 10.370 1.309 1.00 0.00 C ATOM 73 NE ARG A 8 -3.456 9.434 2.354 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.128 9.573 3.633 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.394 10.605 4.025 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.536 8.679 4.525 1.00 0.00 N ATOM 0 H ARG A 8 -7.296 9.808 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.873 10.854 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.143 11.225 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.551 9.545 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.296 8.824 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.843 10.380 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.968 10.498 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.492 11.347 1.506 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.023 8.629 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.079 11.295 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.144 10.709 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.102 7.884 4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.283 8.787 5.507 1.00 0.00 H new ATOM 90 N ARG A 9 -3.979 8.789 -3.405 1.00 0.00 N ATOM 91 CA ARG A 9 -3.409 7.594 -4.014 1.00 0.00 C ATOM 92 C ARG A 9 -1.977 7.371 -3.537 1.00 0.00 C ATOM 93 O ARG A 9 -1.238 8.324 -3.291 1.00 0.00 O ATOM 94 CB ARG A 9 -3.438 7.709 -5.539 1.00 0.00 C ATOM 95 CG ARG A 9 -3.571 6.371 -6.248 1.00 0.00 C ATOM 96 CD ARG A 9 -2.984 6.422 -7.650 1.00 0.00 C ATOM 97 NE ARG A 9 -3.853 7.135 -8.582 1.00 0.00 N ATOM 98 CZ ARG A 9 -3.605 7.244 -9.882 1.00 0.00 C ATOM 99 NH1 ARG A 9 -2.519 6.688 -10.402 1.00 0.00 N ATOM 100 NH2 ARG A 9 -4.444 7.909 -10.666 1.00 0.00 N ATOM 0 H ARG A 9 -3.698 9.663 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.012 6.739 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.270 8.350 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.525 8.200 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.065 5.599 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.623 6.090 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.010 6.910 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.820 5.407 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.697 7.574 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.872 6.175 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.331 6.773 -11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.281 8.337 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.252 7.992 -11.664 1.00 0.00 H new ATOM 114 N VAL A 10 -1.591 6.105 -3.410 1.00 0.00 N ATOM 115 CA VAL A 10 -0.247 5.756 -2.963 1.00 0.00 C ATOM 116 C VAL A 10 0.367 4.684 -3.856 1.00 0.00 C ATOM 117 O VAL A 10 -0.332 4.032 -4.632 1.00 0.00 O ATOM 118 CB VAL A 10 -0.252 5.256 -1.507 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.699 6.362 -0.563 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.145 4.032 -1.368 1.00 0.00 C ATOM 0 H VAL A 10 -2.190 5.304 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 10 0.353 6.664 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 10 0.764 4.970 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.696 5.989 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.016 7.207 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.706 6.683 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.137 3.692 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.164 4.290 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.775 3.236 -2.014 1.00 0.00 H new ATOM 130 N ARG A 11 1.679 4.507 -3.740 1.00 0.00 N ATOM 131 CA ARG A 11 2.389 3.514 -4.538 1.00 0.00 C ATOM 132 C ARG A 11 3.242 2.612 -3.650 1.00 0.00 C ATOM 133 O ARG A 11 3.811 3.062 -2.656 1.00 0.00 O ATOM 134 CB ARG A 11 3.271 4.202 -5.581 1.00 0.00 C ATOM 135 CG ARG A 11 3.877 3.244 -6.593 1.00 0.00 C ATOM 136 CD ARG A 11 5.040 3.881 -7.337 1.00 0.00 C ATOM 137 NE ARG A 11 4.617 5.029 -8.134 1.00 0.00 N ATOM 138 CZ ARG A 11 4.080 4.926 -9.345 1.00 0.00 C ATOM 139 NH1 ARG A 11 3.902 3.732 -9.894 1.00 0.00 N ATOM 140 NH2 ARG A 11 3.720 6.017 -10.008 1.00 0.00 N ATOM 0 H ARG A 11 2.272 5.038 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 11 1.649 2.898 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.679 4.949 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.074 4.734 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.219 2.343 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.113 2.935 -7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.799 4.197 -6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.504 3.139 -7.987 1.00 0.00 H new ATOM 0 HE ARG A 11 4.741 5.961 -7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.177 2.891 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.490 3.655 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.855 6.937 -9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.308 5.936 -10.938 1.00 0.00 H new ATOM 154 N ALA A 12 3.324 1.337 -4.015 1.00 0.00 N ATOM 155 CA ALA A 12 4.108 0.373 -3.253 1.00 0.00 C ATOM 156 C ALA A 12 5.556 0.346 -3.727 1.00 0.00 C ATOM 157 O ALA A 12 5.906 -0.400 -4.643 1.00 0.00 O ATOM 158 CB ALA A 12 3.489 -1.013 -3.361 1.00 0.00 C ATOM 0 H ALA A 12 2.857 0.948 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 12 4.102 0.682 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.085 -1.723 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.473 -0.989 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.465 -1.320 -4.406 1.00 0.00 H new ATOM 164 N ILE A 13 6.395 1.164 -3.100 1.00 0.00 N ATOM 165 CA ILE A 13 7.806 1.232 -3.459 1.00 0.00 C ATOM 166 C ILE A 13 8.472 -0.134 -3.335 1.00 0.00 C ATOM 167 O ILE A 13 9.481 -0.406 -3.986 1.00 0.00 O ATOM 168 CB ILE A 13 8.563 2.242 -2.575 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.598 1.757 -1.124 1.00 0.00 C ATOM 170 CG2 ILE A 13 7.914 3.615 -2.665 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.748 2.328 -0.324 1.00 0.00 C ATOM 0 H ILE A 13 6.122 1.789 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 13 7.852 1.563 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 13 9.588 2.322 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.660 2.024 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.664 0.669 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.460 4.317 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.936 3.961 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.880 3.552 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.710 1.941 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.692 2.040 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.672 3.415 -0.302 1.00 0.00 H new ATOM 183 N LEU A 14 7.900 -0.991 -2.496 1.00 0.00 N ATOM 184 CA LEU A 14 8.436 -2.331 -2.288 1.00 0.00 C ATOM 185 C LEU A 14 7.312 -3.351 -2.140 1.00 0.00 C ATOM 186 O LEU A 14 6.218 -3.041 -1.668 1.00 0.00 O ATOM 187 CB LEU A 14 9.330 -2.357 -1.047 1.00 0.00 C ATOM 188 CG LEU A 14 10.692 -1.675 -1.187 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.397 -1.610 0.159 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.552 -2.406 -2.207 1.00 0.00 C ATOM 0 H LEU A 14 7.065 -0.781 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 14 9.030 -2.597 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.792 -1.884 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.494 -3.397 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 14 10.532 -0.656 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.364 -1.122 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.788 -1.042 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.545 -2.620 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.517 -1.907 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.704 -3.436 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.052 -2.400 -3.176 1.00 0.00 H new ATOM 202 N PRO A 15 7.586 -4.599 -2.549 1.00 0.00 N ATOM 203 CA PRO A 15 6.611 -5.690 -2.469 1.00 0.00 C ATOM 204 C PRO A 15 6.336 -6.118 -1.032 1.00 0.00 C ATOM 205 O PRO A 15 7.114 -5.820 -0.125 1.00 0.00 O ATOM 206 CB PRO A 15 7.284 -6.825 -3.245 1.00 0.00 C ATOM 207 CG PRO A 15 8.743 -6.538 -3.146 1.00 0.00 C ATOM 208 CD PRO A 15 8.869 -5.039 -3.121 1.00 0.00 C ATOM 0 HA PRO A 15 5.640 -5.398 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.042 -7.797 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.954 -6.845 -4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.168 -6.980 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.282 -6.961 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.713 -4.717 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.024 -4.632 -4.120 1.00 0.00 H new ATOM 216 N TYR A 16 5.225 -6.817 -0.830 1.00 0.00 N ATOM 217 CA TYR A 16 4.846 -7.284 0.499 1.00 0.00 C ATOM 218 C TYR A 16 3.996 -8.548 0.411 1.00 0.00 C ATOM 219 O TYR A 16 3.111 -8.658 -0.439 1.00 0.00 O ATOM 220 CB TYR A 16 4.081 -6.192 1.247 1.00 0.00 C ATOM 221 CG TYR A 16 3.422 -6.677 2.519 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.120 -6.700 3.720 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.103 -7.113 2.519 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.523 -7.143 4.885 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.498 -7.557 3.679 1.00 0.00 C ATOM 226 CZ TYR A 16 2.211 -7.570 4.859 1.00 0.00 C ATOM 227 OH TYR A 16 1.612 -8.012 6.016 1.00 0.00 O ATOM 0 H TYR A 16 4.571 -7.073 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 16 5.758 -7.520 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.767 -5.381 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.318 -5.778 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.147 -6.366 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.541 -7.105 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.080 -7.155 5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.472 -7.892 3.662 1.00 0.00 H new ATOM 0 HH TYR A 16 0.687 -8.275 5.826 1.00 0.00 H new ATOM 237 N THR A 17 4.271 -9.501 1.296 1.00 0.00 N ATOM 238 CA THR A 17 3.533 -10.758 1.319 1.00 0.00 C ATOM 239 C THR A 17 2.447 -10.738 2.389 1.00 0.00 C ATOM 240 O THR A 17 2.727 -10.527 3.569 1.00 0.00 O ATOM 241 CB THR A 17 4.469 -11.954 1.576 1.00 0.00 C ATOM 242 OG1 THR A 17 5.450 -12.040 0.537 1.00 0.00 O ATOM 243 CG2 THR A 17 3.680 -13.253 1.645 1.00 0.00 C ATOM 0 H THR A 17 4.999 -9.426 2.006 1.00 0.00 H new ATOM 0 HA THR A 17 3.071 -10.872 0.338 1.00 0.00 H new ATOM 0 HB THR A 17 4.967 -11.799 2.533 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.042 -12.802 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.362 -14.084 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.954 -13.195 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.158 -13.412 0.701 1.00 0.00 H new ATOM 251 N LYS A 18 1.206 -10.959 1.969 1.00 0.00 N ATOM 252 CA LYS A 18 0.076 -10.969 2.891 1.00 0.00 C ATOM 253 C LYS A 18 0.218 -12.092 3.913 1.00 0.00 C ATOM 254 O LYS A 18 0.987 -13.033 3.714 1.00 0.00 O ATOM 255 CB LYS A 18 -1.236 -11.129 2.121 1.00 0.00 C ATOM 256 CG LYS A 18 -1.466 -12.535 1.595 1.00 0.00 C ATOM 257 CD LYS A 18 -2.924 -12.764 1.232 1.00 0.00 C ATOM 258 CE LYS A 18 -3.720 -13.281 2.420 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.641 -14.764 2.537 1.00 0.00 N ATOM 0 H LYS A 18 0.957 -11.134 0.995 1.00 0.00 H new ATOM 0 HA LYS A 18 0.064 -10.017 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.065 -10.854 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.243 -10.431 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.841 -12.703 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.159 -13.261 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.362 -11.831 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.988 -13.479 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.345 -12.824 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.763 -12.980 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.196 -15.077 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.023 -15.201 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.649 -15.050 2.660 1.00 0.00 H new ATOM 273 N VAL A 19 -0.530 -11.989 5.007 1.00 0.00 N ATOM 274 CA VAL A 19 -0.490 -12.998 6.059 1.00 0.00 C ATOM 275 C VAL A 19 -1.797 -13.780 6.121 1.00 0.00 C ATOM 276 O VAL A 19 -2.889 -13.224 5.997 1.00 0.00 O ATOM 277 CB VAL A 19 -0.219 -12.362 7.436 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.268 -13.418 8.530 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.122 -11.644 7.436 1.00 0.00 C ATOM 0 H VAL A 19 -1.171 -11.217 5.188 1.00 0.00 H new ATOM 0 HA VAL A 19 0.325 -13.679 5.814 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.998 -11.627 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.074 -12.951 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.254 -13.883 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.489 -14.178 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.297 -11.201 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.916 -12.356 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.115 -10.860 6.679 1.00 0.00 H new ATOM 289 N PRO A 20 -1.687 -15.102 6.317 1.00 0.00 N ATOM 290 CA PRO A 20 -2.850 -15.990 6.401 1.00 0.00 C ATOM 291 C PRO A 20 -3.657 -15.769 7.676 1.00 0.00 C ATOM 292 O PRO A 20 -3.101 -15.446 8.726 1.00 0.00 O ATOM 293 CB PRO A 20 -2.230 -17.389 6.397 1.00 0.00 C ATOM 294 CG PRO A 20 -0.854 -17.195 6.934 1.00 0.00 C ATOM 295 CD PRO A 20 -0.417 -15.832 6.473 1.00 0.00 C ATOM 0 HA PRO A 20 -3.553 -15.818 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.803 -18.078 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.207 -17.809 5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.847 -17.260 8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.179 -17.967 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.236 -15.351 7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.135 -15.883 5.535 1.00 0.00 H new ATOM 303 N ASP A 21 -4.970 -15.945 7.577 1.00 0.00 N ATOM 304 CA ASP A 21 -5.853 -15.767 8.724 1.00 0.00 C ATOM 305 C ASP A 21 -5.996 -14.289 9.075 1.00 0.00 C ATOM 306 O ASP A 21 -6.266 -13.935 10.223 1.00 0.00 O ATOM 307 CB ASP A 21 -5.322 -16.541 9.930 1.00 0.00 C ATOM 308 CG ASP A 21 -4.569 -17.794 9.528 1.00 0.00 C ATOM 309 OD1 ASP A 21 -5.011 -18.472 8.577 1.00 0.00 O ATOM 310 OD2 ASP A 21 -3.538 -18.098 10.164 1.00 0.00 O ATOM 0 H ASP A 21 -5.446 -16.211 6.715 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.836 -16.156 8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.663 -15.895 10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.155 -16.813 10.579 1.00 0.00 H new ATOM 315 N THR A 22 -5.812 -13.429 8.078 1.00 0.00 N ATOM 316 CA THR A 22 -5.917 -11.989 8.282 1.00 0.00 C ATOM 317 C THR A 22 -6.539 -11.306 7.069 1.00 0.00 C ATOM 318 O THR A 22 -6.921 -11.965 6.102 1.00 0.00 O ATOM 319 CB THR A 22 -4.540 -11.359 8.562 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.858 -11.104 7.329 1.00 0.00 O ATOM 321 CG2 THR A 22 -3.694 -12.273 9.435 1.00 0.00 C ATOM 0 H THR A 22 -5.590 -13.704 7.121 1.00 0.00 H new ATOM 0 HA THR A 22 -6.560 -11.839 9.150 1.00 0.00 H new ATOM 0 HB THR A 22 -4.696 -10.419 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.765 -11.941 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.726 -11.807 9.619 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.202 -12.442 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.547 -13.227 8.928 1.00 0.00 H new ATOM 329 N ASP A 23 -6.636 -9.983 7.127 1.00 0.00 N ATOM 330 CA ASP A 23 -7.210 -9.210 6.031 1.00 0.00 C ATOM 331 C ASP A 23 -6.119 -8.494 5.241 1.00 0.00 C ATOM 332 O ASP A 23 -6.374 -7.481 4.591 1.00 0.00 O ATOM 333 CB ASP A 23 -8.218 -8.194 6.569 1.00 0.00 C ATOM 334 CG ASP A 23 -9.613 -8.774 6.695 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.376 -8.707 5.708 1.00 0.00 O ATOM 336 OD2 ASP A 23 -9.942 -9.295 7.781 1.00 0.00 O ATOM 0 H ASP A 23 -6.325 -9.423 7.921 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.724 -9.900 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.886 -7.839 7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.246 -7.329 5.907 1.00 0.00 H new ATOM 341 N GLU A 24 -4.903 -9.027 5.305 1.00 0.00 N ATOM 342 CA GLU A 24 -3.773 -8.436 4.597 1.00 0.00 C ATOM 343 C GLU A 24 -3.746 -8.890 3.140 1.00 0.00 C ATOM 344 O GLU A 24 -4.164 -10.002 2.818 1.00 0.00 O ATOM 345 CB GLU A 24 -2.458 -8.813 5.284 1.00 0.00 C ATOM 346 CG GLU A 24 -2.233 -8.093 6.603 1.00 0.00 C ATOM 347 CD GLU A 24 -1.806 -6.650 6.414 1.00 0.00 C ATOM 348 OE1 GLU A 24 -1.220 -6.338 5.356 1.00 0.00 O ATOM 349 OE2 GLU A 24 -2.058 -5.834 7.324 1.00 0.00 O ATOM 0 H GLU A 24 -4.675 -9.866 5.839 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.889 -7.352 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.445 -9.889 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.629 -8.590 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.151 -8.123 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.471 -8.622 7.176 1.00 0.00 H new ATOM 356 N ILE A 25 -3.252 -8.020 2.265 1.00 0.00 N ATOM 357 CA ILE A 25 -3.171 -8.331 0.843 1.00 0.00 C ATOM 358 C ILE A 25 -1.729 -8.276 0.350 1.00 0.00 C ATOM 359 O ILE A 25 -0.925 -7.483 0.840 1.00 0.00 O ATOM 360 CB ILE A 25 -4.025 -7.362 0.005 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.605 -5.915 0.272 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.502 -7.556 0.314 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.183 -4.926 -0.716 1.00 0.00 C ATOM 0 H ILE A 25 -2.902 -7.095 2.516 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.557 -9.343 0.719 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.863 -7.578 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.916 -5.635 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.517 -5.850 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.093 -6.864 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.792 -8.580 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.681 -7.363 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.843 -3.921 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.851 -5.181 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.272 -4.962 -0.673 1.00 0.00 H new ATOM 375 N SER A 26 -1.409 -9.122 -0.623 1.00 0.00 N ATOM 376 CA SER A 26 -0.063 -9.172 -1.182 1.00 0.00 C ATOM 377 C SER A 26 0.025 -8.345 -2.461 1.00 0.00 C ATOM 378 O SER A 26 -0.770 -8.521 -3.384 1.00 0.00 O ATOM 379 CB SER A 26 0.341 -10.619 -1.468 1.00 0.00 C ATOM 380 OG SER A 26 -0.290 -11.102 -2.642 1.00 0.00 O ATOM 0 H SER A 26 -2.064 -9.783 -1.041 1.00 0.00 H new ATOM 0 HA SER A 26 0.624 -8.750 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.423 -10.682 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.071 -11.249 -0.621 1.00 0.00 H new ATOM 0 HG SER A 26 -0.014 -12.028 -2.804 1.00 0.00 H new ATOM 386 N PHE A 27 0.998 -7.441 -2.508 1.00 0.00 N ATOM 387 CA PHE A 27 1.191 -6.585 -3.672 1.00 0.00 C ATOM 388 C PHE A 27 2.649 -6.599 -4.123 1.00 0.00 C ATOM 389 O PHE A 27 3.539 -6.995 -3.369 1.00 0.00 O ATOM 390 CB PHE A 27 0.757 -5.152 -3.356 1.00 0.00 C ATOM 391 CG PHE A 27 1.136 -4.702 -1.973 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.386 -5.091 -0.875 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.241 -3.891 -1.773 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.732 -4.678 0.398 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.592 -3.476 -0.502 1.00 0.00 C ATOM 396 CZ PHE A 27 1.837 -3.871 0.585 1.00 0.00 C ATOM 0 H PHE A 27 1.665 -7.282 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 27 0.575 -6.974 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.205 -4.476 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.324 -5.074 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.478 -5.724 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.835 -3.579 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.138 -4.986 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.456 -2.844 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.110 -3.549 1.579 1.00 0.00 H new ATOM 406 N LEU A 28 2.885 -6.165 -5.356 1.00 0.00 N ATOM 407 CA LEU A 28 4.234 -6.128 -5.909 1.00 0.00 C ATOM 408 C LEU A 28 4.669 -4.693 -6.187 1.00 0.00 C ATOM 409 O LEU A 28 3.837 -3.811 -6.403 1.00 0.00 O ATOM 410 CB LEU A 28 4.302 -6.953 -7.195 1.00 0.00 C ATOM 411 CG LEU A 28 4.028 -8.450 -7.048 1.00 0.00 C ATOM 412 CD1 LEU A 28 3.653 -9.058 -8.391 1.00 0.00 C ATOM 413 CD2 LEU A 28 5.238 -9.159 -6.458 1.00 0.00 C ATOM 0 H LEU A 28 2.160 -5.834 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 28 4.914 -6.558 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.585 -6.541 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.293 -6.827 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 28 3.188 -8.581 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.462 -10.124 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.756 -8.570 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.472 -8.916 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.024 -10.223 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.097 -9.020 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.461 -8.742 -5.476 1.00 0.00 H new ATOM 425 N LYS A 29 5.978 -4.466 -6.184 1.00 0.00 N ATOM 426 CA LYS A 29 6.526 -3.139 -6.440 1.00 0.00 C ATOM 427 C LYS A 29 5.731 -2.423 -7.528 1.00 0.00 C ATOM 428 O LYS A 29 5.388 -3.015 -8.551 1.00 0.00 O ATOM 429 CB LYS A 29 7.996 -3.242 -6.852 1.00 0.00 C ATOM 430 CG LYS A 29 8.824 -2.031 -6.458 1.00 0.00 C ATOM 431 CD LYS A 29 9.972 -1.802 -7.426 1.00 0.00 C ATOM 432 CE LYS A 29 9.560 -0.892 -8.574 1.00 0.00 C ATOM 433 NZ LYS A 29 10.724 -0.500 -9.416 1.00 0.00 N ATOM 0 H LYS A 29 6.680 -5.185 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 29 6.453 -2.559 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.431 -4.132 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.053 -3.375 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.187 -1.147 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.218 -2.170 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.815 -1.360 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.311 -2.759 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.819 -1.400 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.083 0.003 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.402 0.120 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.420 0.007 -8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.164 -1.352 -9.818 1.00 0.00 H new ATOM 447 N GLY A 30 5.444 -1.145 -7.301 1.00 0.00 N ATOM 448 CA GLY A 30 4.693 -0.370 -8.271 1.00 0.00 C ATOM 449 C GLY A 30 3.203 -0.381 -7.995 1.00 0.00 C ATOM 450 O GLY A 30 2.539 0.652 -8.090 1.00 0.00 O ATOM 0 H GLY A 30 5.718 -0.633 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.053 0.659 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.877 -0.767 -9.269 1.00 0.00 H new ATOM 454 N ASP A 31 2.675 -1.551 -7.653 1.00 0.00 N ATOM 455 CA ASP A 31 1.253 -1.692 -7.362 1.00 0.00 C ATOM 456 C ASP A 31 0.709 -0.437 -6.686 1.00 0.00 C ATOM 457 O ASP A 31 1.228 0.002 -5.660 1.00 0.00 O ATOM 458 CB ASP A 31 1.011 -2.911 -6.471 1.00 0.00 C ATOM 459 CG ASP A 31 1.046 -4.212 -7.248 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.937 -4.365 -8.109 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.180 -5.077 -6.997 1.00 0.00 O ATOM 0 H ASP A 31 3.210 -2.415 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 31 0.727 -1.832 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.767 -2.939 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.044 -2.811 -5.979 1.00 0.00 H new ATOM 466 N MET A 32 -0.339 0.136 -7.269 1.00 0.00 N ATOM 467 CA MET A 32 -0.953 1.341 -6.723 1.00 0.00 C ATOM 468 C MET A 32 -2.160 0.991 -5.858 1.00 0.00 C ATOM 469 O MET A 32 -2.630 -0.146 -5.861 1.00 0.00 O ATOM 470 CB MET A 32 -1.376 2.281 -7.853 1.00 0.00 C ATOM 471 CG MET A 32 -0.286 3.255 -8.273 1.00 0.00 C ATOM 472 SD MET A 32 -0.546 3.914 -9.931 1.00 0.00 S ATOM 473 CE MET A 32 0.307 5.484 -9.808 1.00 0.00 C ATOM 0 H MET A 32 -0.781 -0.214 -8.119 1.00 0.00 H new ATOM 0 HA MET A 32 -0.214 1.845 -6.099 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.674 1.687 -8.717 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.254 2.845 -7.536 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.246 4.079 -7.561 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.680 2.752 -8.233 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.281 5.989 -10.774 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.183 6.107 -9.060 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.343 5.313 -9.515 1.00 0.00 H new ATOM 483 N PHE A 33 -2.656 1.977 -5.117 1.00 0.00 N ATOM 484 CA PHE A 33 -3.808 1.773 -4.246 1.00 0.00 C ATOM 485 C PHE A 33 -4.601 3.066 -4.082 1.00 0.00 C ATOM 486 O PHE A 33 -4.141 4.142 -4.464 1.00 0.00 O ATOM 487 CB PHE A 33 -3.355 1.262 -2.877 1.00 0.00 C ATOM 488 CG PHE A 33 -2.288 0.207 -2.954 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.962 0.557 -3.146 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.613 -1.135 -2.835 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.021 -0.412 -3.218 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.634 -2.109 -2.906 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.315 -1.747 -3.096 1.00 0.00 C ATOM 0 H PHE A 33 -2.278 2.924 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.454 1.027 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.983 2.101 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.217 0.858 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.693 1.599 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.643 -1.423 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.051 -0.126 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.901 -3.151 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.452 -2.505 -3.149 1.00 0.00 H new ATOM 503 N ILE A 34 -5.796 2.951 -3.511 1.00 0.00 N ATOM 504 CA ILE A 34 -6.653 4.110 -3.296 1.00 0.00 C ATOM 505 C ILE A 34 -7.040 4.242 -1.826 1.00 0.00 C ATOM 506 O ILE A 34 -7.995 3.617 -1.366 1.00 0.00 O ATOM 507 CB ILE A 34 -7.934 4.029 -4.147 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.580 3.894 -5.629 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.804 5.256 -3.913 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.754 3.501 -6.498 1.00 0.00 C ATOM 0 H ILE A 34 -6.192 2.068 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.080 4.987 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.498 3.146 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.176 4.842 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.792 3.150 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.706 5.184 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.080 5.311 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.250 6.153 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.429 3.424 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.145 2.539 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.535 4.257 -6.418 1.00 0.00 H new ATOM 522 N VAL A 35 -6.292 5.062 -1.094 1.00 0.00 N ATOM 523 CA VAL A 35 -6.557 5.279 0.323 1.00 0.00 C ATOM 524 C VAL A 35 -7.998 5.722 0.550 1.00 0.00 C ATOM 525 O VAL A 35 -8.420 6.774 0.068 1.00 0.00 O ATOM 526 CB VAL A 35 -5.607 6.336 0.916 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.885 6.531 2.399 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.157 5.939 0.685 1.00 0.00 C ATOM 0 H VAL A 35 -5.497 5.587 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.389 4.327 0.827 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.785 7.284 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.204 7.281 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.914 6.864 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.736 5.588 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.500 6.697 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.962 4.980 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.969 5.855 -0.385 1.00 0.00 H new ATOM 538 N HIS A 36 -8.751 4.912 1.288 1.00 0.00 N ATOM 539 CA HIS A 36 -10.146 5.221 1.581 1.00 0.00 C ATOM 540 C HIS A 36 -10.314 5.648 3.036 1.00 0.00 C ATOM 541 O HIS A 36 -10.991 6.632 3.329 1.00 0.00 O ATOM 542 CB HIS A 36 -11.031 4.009 1.287 1.00 0.00 C ATOM 543 CG HIS A 36 -11.160 3.701 -0.173 1.00 0.00 C ATOM 544 ND1 HIS A 36 -10.504 2.808 -0.950 1.00 0.00 N flip ATOM 545 CD2 HIS A 36 -12.050 4.349 -1.003 1.00 0.00 C flip ATOM 546 CE1 HIS A 36 -11.005 2.931 -2.223 1.00 0.00 C flip ATOM 547 NE2 HIS A 36 -11.937 3.867 -2.228 1.00 0.00 N flip ATOM 0 H HIS A 36 -8.419 4.037 1.694 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.452 6.049 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.622 3.138 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.024 4.185 1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.733 5.129 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.688 2.356 -3.081 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.477 4.167 -3.039 1.00 0.00 H new ATOM 555 N ASN A 37 -9.694 4.899 3.942 1.00 0.00 N ATOM 556 CA ASN A 37 -9.777 5.200 5.367 1.00 0.00 C ATOM 557 C ASN A 37 -8.386 5.256 5.993 1.00 0.00 C ATOM 558 O ASN A 37 -7.591 4.329 5.845 1.00 0.00 O ATOM 559 CB ASN A 37 -10.628 4.150 6.083 1.00 0.00 C ATOM 560 CG ASN A 37 -11.307 4.702 7.321 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.311 5.410 7.229 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.761 4.380 8.488 1.00 0.00 N ATOM 0 H ASN A 37 -9.129 4.080 3.715 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.247 6.177 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.384 3.770 5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.998 3.306 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.174 4.722 9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.929 3.791 8.516 1.00 0.00 H new ATOM 569 N GLU A 38 -8.101 6.350 6.692 1.00 0.00 N ATOM 570 CA GLU A 38 -6.807 6.526 7.339 1.00 0.00 C ATOM 571 C GLU A 38 -6.835 5.988 8.767 1.00 0.00 C ATOM 572 O GLU A 38 -7.396 6.613 9.668 1.00 0.00 O ATOM 573 CB GLU A 38 -6.413 8.005 7.348 1.00 0.00 C ATOM 574 CG GLU A 38 -6.238 8.597 5.960 1.00 0.00 C ATOM 575 CD GLU A 38 -7.547 9.072 5.359 1.00 0.00 C ATOM 576 OE1 GLU A 38 -8.417 9.535 6.125 1.00 0.00 O ATOM 577 OE2 GLU A 38 -7.700 8.980 4.123 1.00 0.00 O ATOM 0 H GLU A 38 -8.748 7.127 6.824 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.066 5.963 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.175 8.572 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.482 8.121 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.541 9.434 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.791 7.850 5.304 1.00 0.00 H new ATOM 584 N LEU A 39 -6.226 4.824 8.965 1.00 0.00 N ATOM 585 CA LEU A 39 -6.180 4.199 10.283 1.00 0.00 C ATOM 586 C LEU A 39 -4.969 4.682 11.073 1.00 0.00 C ATOM 587 O LEU A 39 -4.232 5.559 10.623 1.00 0.00 O ATOM 588 CB LEU A 39 -6.140 2.676 10.146 1.00 0.00 C ATOM 589 CG LEU A 39 -7.434 2.009 9.678 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.571 2.317 10.640 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.788 2.462 8.269 1.00 0.00 C ATOM 0 H LEU A 39 -5.757 4.294 8.230 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.081 4.485 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.347 2.415 9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.865 2.252 11.112 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.280 0.930 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.484 1.834 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.319 1.943 11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.726 3.395 10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.712 1.977 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.923 3.544 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.983 2.190 7.586 1.00 0.00 H new ATOM 603 N GLU A 40 -4.768 4.103 12.253 1.00 0.00 N ATOM 604 CA GLU A 40 -3.645 4.474 13.105 1.00 0.00 C ATOM 605 C GLU A 40 -2.627 3.340 13.188 1.00 0.00 C ATOM 606 O GLU A 40 -2.846 2.255 12.650 1.00 0.00 O ATOM 607 CB GLU A 40 -4.137 4.836 14.507 1.00 0.00 C ATOM 608 CG GLU A 40 -4.944 6.123 14.556 1.00 0.00 C ATOM 609 CD GLU A 40 -4.069 7.357 14.658 1.00 0.00 C ATOM 610 OE1 GLU A 40 -3.016 7.283 15.325 1.00 0.00 O ATOM 611 OE2 GLU A 40 -4.437 8.396 14.071 1.00 0.00 O ATOM 0 H GLU A 40 -5.369 3.375 12.640 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.159 5.344 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.748 4.019 14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.278 4.930 15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.563 6.194 13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.621 6.091 15.410 1.00 0.00 H new ATOM 618 N ASP A 41 -1.514 3.601 13.865 1.00 0.00 N ATOM 619 CA ASP A 41 -0.462 2.603 14.020 1.00 0.00 C ATOM 620 C ASP A 41 0.191 2.289 12.677 1.00 0.00 C ATOM 621 O ASP A 41 0.717 1.196 12.472 1.00 0.00 O ATOM 622 CB ASP A 41 -1.030 1.324 14.636 1.00 0.00 C ATOM 623 CG ASP A 41 -1.991 1.606 15.774 1.00 0.00 C ATOM 624 OD1 ASP A 41 -1.537 2.106 16.824 1.00 0.00 O ATOM 625 OD2 ASP A 41 -3.198 1.327 15.614 1.00 0.00 O ATOM 0 H ASP A 41 -1.317 4.495 14.315 1.00 0.00 H new ATOM 0 HA ASP A 41 0.297 3.012 14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.543 0.750 13.865 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.210 0.705 15.001 1.00 0.00 H new ATOM 630 N GLY A 42 0.153 3.256 11.765 1.00 0.00 N ATOM 631 CA GLY A 42 0.743 3.063 10.454 1.00 0.00 C ATOM 632 C GLY A 42 -0.039 2.081 9.605 1.00 0.00 C ATOM 633 O GLY A 42 0.453 1.000 9.282 1.00 0.00 O ATOM 0 H GLY A 42 -0.276 4.170 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.797 4.022 9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.766 2.705 10.569 1.00 0.00 H new ATOM 637 N TRP A 43 -1.261 2.457 9.244 1.00 0.00 N ATOM 638 CA TRP A 43 -2.114 1.600 8.428 1.00 0.00 C ATOM 639 C TRP A 43 -3.200 2.415 7.734 1.00 0.00 C ATOM 640 O TRP A 43 -3.660 3.428 8.260 1.00 0.00 O ATOM 641 CB TRP A 43 -2.751 0.509 9.292 1.00 0.00 C ATOM 642 CG TRP A 43 -1.747 -0.355 9.993 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.198 -0.138 11.225 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.173 -1.571 9.504 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.316 -1.147 11.530 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.283 -2.039 10.491 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.324 -2.312 8.328 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.450 -3.212 10.336 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.595 -3.476 8.176 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.283 -3.917 9.175 1.00 0.00 C ATOM 0 H TRP A 43 -1.683 3.349 9.503 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.493 1.133 7.664 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.399 0.975 10.034 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.384 -0.118 8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.424 0.702 11.865 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.226 -1.220 12.391 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.998 -1.981 7.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.127 -3.554 11.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.704 -4.056 7.271 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.839 -4.831 9.026 1.00 0.00 H new ATOM 661 N MET A 44 -3.605 1.966 6.551 1.00 0.00 N ATOM 662 CA MET A 44 -4.638 2.654 5.786 1.00 0.00 C ATOM 663 C MET A 44 -5.405 1.674 4.904 1.00 0.00 C ATOM 664 O MET A 44 -4.812 0.943 4.111 1.00 0.00 O ATOM 665 CB MET A 44 -4.017 3.755 4.924 1.00 0.00 C ATOM 666 CG MET A 44 -2.937 4.550 5.639 1.00 0.00 C ATOM 667 SD MET A 44 -2.319 5.927 4.652 1.00 0.00 S ATOM 668 CE MET A 44 -1.089 5.098 3.648 1.00 0.00 C ATOM 0 H MET A 44 -3.234 1.129 6.101 1.00 0.00 H new ATOM 0 HA MET A 44 -5.337 3.105 6.491 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.592 3.306 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.803 4.437 4.598 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.335 4.932 6.579 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.109 3.887 5.889 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.097 5.467 3.909 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.136 4.024 3.829 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.285 5.297 2.594 1.00 0.00 H new ATOM 678 N TRP A 45 -6.726 1.664 5.049 1.00 0.00 N ATOM 679 CA TRP A 45 -7.573 0.772 4.265 1.00 0.00 C ATOM 680 C TRP A 45 -7.603 1.197 2.801 1.00 0.00 C ATOM 681 O TRP A 45 -8.450 1.992 2.392 1.00 0.00 O ATOM 682 CB TRP A 45 -8.993 0.756 4.833 1.00 0.00 C ATOM 683 CG TRP A 45 -9.850 -0.333 4.259 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.694 -0.234 3.191 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.946 -1.683 4.726 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.309 -1.441 2.964 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.867 -2.347 3.892 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.343 -2.396 5.765 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.197 -3.688 4.068 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.672 -3.727 5.938 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.592 -4.362 5.093 1.00 0.00 C ATOM 0 H TRP A 45 -7.233 2.263 5.701 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.154 -0.232 4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.943 0.637 5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.465 1.720 4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.855 0.662 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.985 -1.632 2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.632 -1.916 6.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.906 -4.179 3.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.212 -4.288 6.738 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.828 -5.404 5.254 1.00 0.00 H new ATOM 702 N VAL A 46 -6.674 0.663 2.015 1.00 0.00 N ATOM 703 CA VAL A 46 -6.595 0.987 0.595 1.00 0.00 C ATOM 704 C VAL A 46 -7.153 -0.147 -0.258 1.00 0.00 C ATOM 705 O VAL A 46 -7.466 -1.225 0.248 1.00 0.00 O ATOM 706 CB VAL A 46 -5.145 1.273 0.164 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.434 2.118 1.210 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.395 -0.028 -0.081 1.00 0.00 C ATOM 0 H VAL A 46 -5.965 0.004 2.337 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.195 1.884 0.441 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.166 1.835 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.410 2.310 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.960 3.065 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.421 1.585 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.372 0.193 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.382 -0.618 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.893 -0.592 -0.869 1.00 0.00 H new ATOM 718 N THR A 47 -7.275 0.104 -1.558 1.00 0.00 N ATOM 719 CA THR A 47 -7.795 -0.895 -2.483 1.00 0.00 C ATOM 720 C THR A 47 -6.880 -1.056 -3.691 1.00 0.00 C ATOM 721 O THR A 47 -6.912 -0.248 -4.618 1.00 0.00 O ATOM 722 CB THR A 47 -9.209 -0.526 -2.971 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.055 -0.242 -1.851 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.810 -1.657 -3.792 1.00 0.00 C ATOM 0 H THR A 47 -7.021 0.991 -1.994 1.00 0.00 H new ATOM 0 HA THR A 47 -7.840 -1.837 -1.937 1.00 0.00 H new ATOM 0 HB THR A 47 -9.132 0.359 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.951 -0.007 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.808 -1.374 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.179 -1.852 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.874 -2.557 -3.180 1.00 0.00 H new ATOM 732 N ASN A 48 -6.064 -2.105 -3.674 1.00 0.00 N ATOM 733 CA ASN A 48 -5.139 -2.372 -4.770 1.00 0.00 C ATOM 734 C ASN A 48 -5.835 -2.221 -6.119 1.00 0.00 C ATOM 735 O ASN A 48 -7.033 -2.480 -6.244 1.00 0.00 O ATOM 736 CB ASN A 48 -4.554 -3.780 -4.639 1.00 0.00 C ATOM 737 CG ASN A 48 -3.177 -3.894 -5.264 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.869 -3.215 -6.244 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.340 -4.756 -4.698 1.00 0.00 N ATOM 0 H ASN A 48 -6.024 -2.784 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.330 -1.643 -4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.495 -4.049 -3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.226 -4.495 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.400 -4.876 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.638 -5.298 -3.887 1.00 0.00 H new ATOM 746 N LEU A 49 -5.077 -1.802 -7.126 1.00 0.00 N ATOM 747 CA LEU A 49 -5.620 -1.617 -8.467 1.00 0.00 C ATOM 748 C LEU A 49 -5.305 -2.819 -9.352 1.00 0.00 C ATOM 749 O LEU A 49 -5.936 -3.020 -10.390 1.00 0.00 O ATOM 750 CB LEU A 49 -5.054 -0.344 -9.097 1.00 0.00 C ATOM 751 CG LEU A 49 -5.376 0.964 -8.372 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.599 2.119 -8.985 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.871 1.242 -8.413 1.00 0.00 C ATOM 0 H LEU A 49 -4.084 -1.584 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.703 -1.523 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.970 -0.444 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.427 -0.271 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.074 0.864 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.841 3.041 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.530 1.923 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.869 2.222 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.082 2.176 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.198 1.322 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.406 0.427 -7.926 1.00 0.00 H new ATOM 765 N ARG A 50 -4.328 -3.616 -8.933 1.00 0.00 N ATOM 766 CA ARG A 50 -3.930 -4.799 -9.688 1.00 0.00 C ATOM 767 C ARG A 50 -4.775 -6.006 -9.291 1.00 0.00 C ATOM 768 O ARG A 50 -5.082 -6.863 -10.120 1.00 0.00 O ATOM 769 CB ARG A 50 -2.449 -5.102 -9.458 1.00 0.00 C ATOM 770 CG ARG A 50 -1.887 -6.151 -10.404 1.00 0.00 C ATOM 771 CD ARG A 50 -2.043 -7.553 -9.838 1.00 0.00 C ATOM 772 NE ARG A 50 -1.042 -7.845 -8.815 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.917 -9.028 -8.225 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.726 -10.025 -8.554 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.019 -9.216 -7.303 1.00 0.00 N ATOM 0 H ARG A 50 -3.797 -3.465 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.092 -4.596 -10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.877 -4.181 -9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.311 -5.440 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.398 -6.087 -11.365 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.832 -5.948 -10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.040 -7.663 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.960 -8.281 -10.645 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.404 -7.099 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.447 -9.885 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.628 -10.933 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.643 -8.451 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.114 -10.125 -6.851 1.00 0.00 H new ATOM 789 N THR A 51 -5.149 -6.068 -8.017 1.00 0.00 N ATOM 790 CA THR A 51 -5.956 -7.170 -7.509 1.00 0.00 C ATOM 791 C THR A 51 -7.372 -6.708 -7.181 1.00 0.00 C ATOM 792 O THR A 51 -8.267 -7.526 -6.967 1.00 0.00 O ATOM 793 CB THR A 51 -5.327 -7.794 -6.249 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.291 -6.830 -5.191 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.918 -8.290 -6.537 1.00 0.00 C ATOM 0 H THR A 51 -4.905 -5.367 -7.317 1.00 0.00 H new ATOM 0 HA THR A 51 -5.995 -7.923 -8.297 1.00 0.00 H new ATOM 0 HB THR A 51 -5.940 -8.643 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.891 -7.235 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.494 -8.727 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.951 -9.044 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.298 -7.455 -6.862 1.00 0.00 H new ATOM 803 N ASP A 52 -7.567 -5.395 -7.144 1.00 0.00 N ATOM 804 CA ASP A 52 -8.875 -4.825 -6.843 1.00 0.00 C ATOM 805 C ASP A 52 -9.423 -5.382 -5.533 1.00 0.00 C ATOM 806 O ASP A 52 -10.583 -5.783 -5.455 1.00 0.00 O ATOM 807 CB ASP A 52 -9.854 -5.113 -7.983 1.00 0.00 C ATOM 808 CG ASP A 52 -11.086 -4.230 -7.925 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.934 -3.017 -7.669 1.00 0.00 O ATOM 810 OD2 ASP A 52 -12.201 -4.752 -8.134 1.00 0.00 O ATOM 0 H ASP A 52 -6.836 -4.705 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.758 -3.746 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.349 -4.965 -8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.158 -6.159 -7.942 1.00 0.00 H new ATOM 815 N GLU A 53 -8.579 -5.403 -4.506 1.00 0.00 N ATOM 816 CA GLU A 53 -8.978 -5.912 -3.200 1.00 0.00 C ATOM 817 C GLU A 53 -8.584 -4.939 -2.092 1.00 0.00 C ATOM 818 O GLU A 53 -7.651 -4.152 -2.248 1.00 0.00 O ATOM 819 CB GLU A 53 -8.341 -7.279 -2.944 1.00 0.00 C ATOM 820 CG GLU A 53 -8.879 -8.380 -3.842 1.00 0.00 C ATOM 821 CD GLU A 53 -8.641 -9.766 -3.274 1.00 0.00 C ATOM 822 OE1 GLU A 53 -8.623 -9.904 -2.033 1.00 0.00 O ATOM 823 OE2 GLU A 53 -8.472 -10.712 -4.071 1.00 0.00 O ATOM 0 H GLU A 53 -7.615 -5.073 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.063 -6.019 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.263 -7.200 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.506 -7.558 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.948 -8.232 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.407 -8.307 -4.822 1.00 0.00 H new ATOM 830 N GLN A 54 -9.303 -5.000 -0.976 1.00 0.00 N ATOM 831 CA GLN A 54 -9.029 -4.124 0.157 1.00 0.00 C ATOM 832 C GLN A 54 -8.198 -4.844 1.214 1.00 0.00 C ATOM 833 O GLN A 54 -8.195 -6.072 1.285 1.00 0.00 O ATOM 834 CB GLN A 54 -10.338 -3.626 0.772 1.00 0.00 C ATOM 835 CG GLN A 54 -11.213 -2.855 -0.202 1.00 0.00 C ATOM 836 CD GLN A 54 -12.691 -2.985 0.112 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.353 -2.006 0.456 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.216 -4.199 -0.007 1.00 0.00 N ATOM 0 H GLN A 54 -10.079 -5.646 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.459 -3.269 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.898 -4.480 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.109 -2.988 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.932 -1.802 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.027 -3.215 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.630 -4.982 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.206 -4.348 0.190 1.00 0.00 H new ATOM 847 N GLY A 55 -7.493 -4.070 2.034 1.00 0.00 N ATOM 848 CA GLY A 55 -6.667 -4.652 3.076 1.00 0.00 C ATOM 849 C GLY A 55 -5.978 -3.602 3.924 1.00 0.00 C ATOM 850 O GLY A 55 -6.305 -2.417 3.846 1.00 0.00 O ATOM 0 H GLY A 55 -7.479 -3.051 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.285 -5.283 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.916 -5.298 2.621 1.00 0.00 H new ATOM 854 N LEU A 56 -5.022 -4.035 4.738 1.00 0.00 N ATOM 855 CA LEU A 56 -4.285 -3.123 5.606 1.00 0.00 C ATOM 856 C LEU A 56 -2.806 -3.090 5.231 1.00 0.00 C ATOM 857 O LEU A 56 -2.135 -4.122 5.223 1.00 0.00 O ATOM 858 CB LEU A 56 -4.442 -3.542 7.069 1.00 0.00 C ATOM 859 CG LEU A 56 -5.849 -3.420 7.655 1.00 0.00 C ATOM 860 CD1 LEU A 56 -5.978 -4.262 8.914 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.180 -1.964 7.949 1.00 0.00 C ATOM 0 H LEU A 56 -4.739 -5.012 4.815 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.697 -2.123 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.118 -4.578 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.765 -2.939 7.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.561 -3.793 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.986 -4.162 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.785 -5.308 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.256 -3.921 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.185 -1.896 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.462 -1.565 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.130 -1.386 7.026 1.00 0.00 H new ATOM 873 N ILE A 57 -2.306 -1.898 4.923 1.00 0.00 N ATOM 874 CA ILE A 57 -0.907 -1.731 4.551 1.00 0.00 C ATOM 875 C ILE A 57 -0.259 -0.600 5.343 1.00 0.00 C ATOM 876 O ILE A 57 -0.912 0.384 5.689 1.00 0.00 O ATOM 877 CB ILE A 57 -0.756 -1.440 3.046 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.388 -0.091 2.699 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.389 -2.554 2.226 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.844 0.521 1.427 1.00 0.00 C ATOM 0 H ILE A 57 -2.849 -1.034 4.924 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.404 -2.670 4.784 1.00 0.00 H new ATOM 0 HB ILE A 57 0.306 -1.395 2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.466 -0.219 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.224 0.601 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.275 -2.335 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.898 -3.499 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.449 -2.627 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.337 1.476 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.229 0.681 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.032 -0.152 0.590 1.00 0.00 H new ATOM 892 N VAL A 58 1.031 -0.747 5.626 1.00 0.00 N ATOM 893 CA VAL A 58 1.770 0.263 6.375 1.00 0.00 C ATOM 894 C VAL A 58 2.290 1.359 5.453 1.00 0.00 C ATOM 895 O VAL A 58 2.898 1.078 4.420 1.00 0.00 O ATOM 896 CB VAL A 58 2.956 -0.359 7.136 1.00 0.00 C ATOM 897 CG1 VAL A 58 4.005 -0.874 6.162 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.561 0.653 8.097 1.00 0.00 C ATOM 0 H VAL A 58 1.587 -1.556 5.348 1.00 0.00 H new ATOM 0 HA VAL A 58 1.075 0.697 7.094 1.00 0.00 H new ATOM 0 HB VAL A 58 2.589 -1.205 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.835 -1.310 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.562 -1.633 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.371 -0.049 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.398 0.197 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.914 1.520 7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.805 0.969 8.816 1.00 0.00 H new ATOM 908 N GLU A 59 2.047 2.610 5.833 1.00 0.00 N ATOM 909 CA GLU A 59 2.492 3.749 5.039 1.00 0.00 C ATOM 910 C GLU A 59 3.997 3.689 4.796 1.00 0.00 C ATOM 911 O GLU A 59 4.519 4.354 3.901 1.00 0.00 O ATOM 912 CB GLU A 59 2.129 5.060 5.740 1.00 0.00 C ATOM 913 CG GLU A 59 2.880 5.281 7.042 1.00 0.00 C ATOM 914 CD GLU A 59 2.890 6.736 7.470 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.964 7.147 8.200 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.824 7.464 7.074 1.00 0.00 O ATOM 0 H GLU A 59 1.545 2.860 6.685 1.00 0.00 H new ATOM 0 HA GLU A 59 1.985 3.708 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.334 5.892 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.058 5.070 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.424 4.678 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.907 4.932 6.929 1.00 0.00 H new ATOM 923 N ASP A 60 4.688 2.887 5.599 1.00 0.00 N ATOM 924 CA ASP A 60 6.133 2.739 5.471 1.00 0.00 C ATOM 925 C ASP A 60 6.490 1.948 4.216 1.00 0.00 C ATOM 926 O ASP A 60 7.547 2.156 3.618 1.00 0.00 O ATOM 927 CB ASP A 60 6.707 2.043 6.707 1.00 0.00 C ATOM 928 CG ASP A 60 8.220 1.965 6.678 1.00 0.00 C ATOM 929 OD1 ASP A 60 8.773 1.569 5.630 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.852 2.299 7.702 1.00 0.00 O ATOM 0 H ASP A 60 4.271 2.330 6.345 1.00 0.00 H new ATOM 0 HA ASP A 60 6.569 3.734 5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.391 2.579 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.296 1.036 6.777 1.00 0.00 H new ATOM 935 N LEU A 61 5.603 1.041 3.823 1.00 0.00 N ATOM 936 CA LEU A 61 5.824 0.218 2.639 1.00 0.00 C ATOM 937 C LEU A 61 5.521 1.002 1.366 1.00 0.00 C ATOM 938 O LEU A 61 6.087 0.730 0.307 1.00 0.00 O ATOM 939 CB LEU A 61 4.954 -1.039 2.697 1.00 0.00 C ATOM 940 CG LEU A 61 5.510 -2.203 3.518 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.412 -3.208 3.830 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.657 -2.876 2.780 1.00 0.00 C ATOM 0 H LEU A 61 4.724 0.857 4.307 1.00 0.00 H new ATOM 0 HA LEU A 61 6.874 -0.075 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.981 -0.765 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.785 -1.387 1.678 1.00 0.00 H new ATOM 0 HG LEU A 61 5.892 -1.809 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.826 -4.029 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.622 -2.719 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.000 -3.597 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.040 -3.702 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.300 -3.257 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.454 -2.152 2.608 1.00 0.00 H new ATOM 954 N VAL A 62 4.626 1.978 1.478 1.00 0.00 N ATOM 955 CA VAL A 62 4.250 2.804 0.337 1.00 0.00 C ATOM 956 C VAL A 62 4.787 4.223 0.486 1.00 0.00 C ATOM 957 O VAL A 62 5.427 4.553 1.483 1.00 0.00 O ATOM 958 CB VAL A 62 2.720 2.861 0.165 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.139 1.458 0.086 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.085 3.647 1.303 1.00 0.00 C ATOM 0 H VAL A 62 4.148 2.216 2.347 1.00 0.00 H new ATOM 0 HA VAL A 62 4.690 2.343 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 62 2.496 3.374 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.057 1.518 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.571 0.933 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.372 0.916 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.004 3.677 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.317 3.164 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.479 4.663 1.307 1.00 0.00 H new ATOM 970 N GLU A 63 4.520 5.059 -0.513 1.00 0.00 N ATOM 971 CA GLU A 63 4.977 6.443 -0.493 1.00 0.00 C ATOM 972 C GLU A 63 3.928 7.371 -1.099 1.00 0.00 C ATOM 973 O GLU A 63 3.060 6.935 -1.854 1.00 0.00 O ATOM 974 CB GLU A 63 6.296 6.579 -1.257 1.00 0.00 C ATOM 975 CG GLU A 63 6.124 6.618 -2.766 1.00 0.00 C ATOM 976 CD GLU A 63 7.397 7.014 -3.488 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.907 8.124 -3.224 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.884 6.216 -4.316 1.00 0.00 O ATOM 0 H GLU A 63 3.990 4.802 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 63 5.136 6.731 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.801 7.489 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.946 5.744 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.802 5.638 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.332 7.323 -3.020 1.00 0.00 H new ATOM 985 N GLU A 64 4.016 8.654 -0.761 1.00 0.00 N ATOM 986 CA GLU A 64 3.073 9.644 -1.270 1.00 0.00 C ATOM 987 C GLU A 64 3.411 10.027 -2.708 1.00 0.00 C ATOM 988 O GLU A 64 4.518 10.481 -2.998 1.00 0.00 O ATOM 989 CB GLU A 64 3.080 10.891 -0.384 1.00 0.00 C ATOM 990 CG GLU A 64 2.216 10.758 0.860 1.00 0.00 C ATOM 991 CD GLU A 64 2.160 12.038 1.671 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.155 12.792 1.660 1.00 0.00 O ATOM 993 OE2 GLU A 64 1.120 12.285 2.316 1.00 0.00 O ATOM 0 H GLU A 64 4.730 9.032 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 64 2.077 9.202 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.105 11.107 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.733 11.743 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.205 10.473 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.606 9.954 1.484 1.00 0.00 H new ATOM 1000 N VAL A 65 2.449 9.840 -3.606 1.00 0.00 N ATOM 1001 CA VAL A 65 2.642 10.167 -5.014 1.00 0.00 C ATOM 1002 C VAL A 65 2.282 11.621 -5.296 1.00 0.00 C ATOM 1003 O VAL A 65 1.119 11.948 -5.533 1.00 0.00 O ATOM 1004 CB VAL A 65 1.798 9.254 -5.923 1.00 0.00 C ATOM 1005 CG1 VAL A 65 2.016 9.608 -7.386 1.00 0.00 C ATOM 1006 CG2 VAL A 65 2.128 7.792 -5.664 1.00 0.00 C ATOM 0 H VAL A 65 1.528 9.464 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 65 3.698 10.009 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 65 0.745 9.411 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.412 8.952 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.724 10.644 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.069 9.481 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.522 7.161 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.184 7.616 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.914 7.550 -4.623 1.00 0.00 H new ATOM 1016 N SER A 66 3.288 12.490 -5.268 1.00 0.00 N ATOM 1017 CA SER A 66 3.076 13.911 -5.518 1.00 0.00 C ATOM 1018 C SER A 66 2.817 14.170 -6.999 1.00 0.00 C ATOM 1019 O SER A 66 3.722 14.066 -7.826 1.00 0.00 O ATOM 1020 CB SER A 66 4.290 14.718 -5.052 1.00 0.00 C ATOM 1021 OG SER A 66 3.944 16.073 -4.824 1.00 0.00 O ATOM 0 H SER A 66 4.257 12.235 -5.075 1.00 0.00 H new ATOM 0 HA SER A 66 2.199 14.227 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.691 14.283 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.078 14.662 -5.803 1.00 0.00 H new ATOM 0 HG SER A 66 4.736 16.567 -4.526 1.00 0.00 H new ATOM 1027 N GLY A 67 1.574 14.508 -7.325 1.00 0.00 N ATOM 1028 CA GLY A 67 1.216 14.777 -8.706 1.00 0.00 C ATOM 1029 C GLY A 67 -0.133 15.456 -8.834 1.00 0.00 C ATOM 1030 O GLY A 67 -0.636 16.068 -7.892 1.00 0.00 O ATOM 0 H GLY A 67 0.808 14.601 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.981 15.407 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.202 13.840 -9.263 1.00 0.00 H new ATOM 1034 N PRO A 68 -0.741 15.352 -10.025 1.00 0.00 N ATOM 1035 CA PRO A 68 -2.048 15.956 -10.302 1.00 0.00 C ATOM 1036 C PRO A 68 -3.179 15.258 -9.554 1.00 0.00 C ATOM 1037 O PRO A 68 -4.346 15.623 -9.693 1.00 0.00 O ATOM 1038 CB PRO A 68 -2.212 15.770 -11.812 1.00 0.00 C ATOM 1039 CG PRO A 68 -1.365 14.590 -12.143 1.00 0.00 C ATOM 1040 CD PRO A 68 -0.200 14.637 -11.193 1.00 0.00 C ATOM 0 HA PRO A 68 -2.093 16.996 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.255 15.596 -12.078 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.887 16.656 -12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.926 13.662 -12.027 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.026 14.631 -13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.143 13.637 -10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.651 15.162 -11.627 1.00 0.00 H new ATOM 1048 N SER A 69 -2.825 14.252 -8.760 1.00 0.00 N ATOM 1049 CA SER A 69 -3.811 13.501 -7.992 1.00 0.00 C ATOM 1050 C SER A 69 -4.857 14.435 -7.390 1.00 0.00 C ATOM 1051 O SER A 69 -4.521 15.402 -6.707 1.00 0.00 O ATOM 1052 CB SER A 69 -3.124 12.703 -6.882 1.00 0.00 C ATOM 1053 OG SER A 69 -2.254 11.723 -7.423 1.00 0.00 O ATOM 0 H SER A 69 -1.863 13.939 -8.632 1.00 0.00 H new ATOM 0 HA SER A 69 -4.313 12.810 -8.669 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.561 13.379 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.876 12.221 -6.257 1.00 0.00 H new ATOM 0 HG SER A 69 -1.826 11.228 -6.694 1.00 0.00 H new ATOM 1059 N SER A 70 -6.126 14.137 -7.648 1.00 0.00 N ATOM 1060 CA SER A 70 -7.222 14.950 -7.136 1.00 0.00 C ATOM 1061 C SER A 70 -6.891 15.497 -5.750 1.00 0.00 C ATOM 1062 O SER A 70 -6.728 14.740 -4.794 1.00 0.00 O ATOM 1063 CB SER A 70 -8.511 14.129 -7.077 1.00 0.00 C ATOM 1064 OG SER A 70 -8.862 13.639 -8.359 1.00 0.00 O ATOM 0 H SER A 70 -6.421 13.338 -8.209 1.00 0.00 H new ATOM 0 HA SER A 70 -7.366 15.790 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.383 13.294 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.321 14.745 -6.685 1.00 0.00 H new ATOM 0 HG SER A 70 -9.688 13.116 -8.294 1.00 0.00 H new ATOM 1070 N GLY A 71 -6.793 16.820 -5.651 1.00 0.00 N ATOM 1071 CA GLY A 71 -6.481 17.447 -4.380 1.00 0.00 C ATOM 1072 C GLY A 71 -6.691 18.948 -4.407 1.00 0.00 C ATOM 1073 O GLY A 71 -6.210 19.632 -5.309 1.00 0.00 O ATOM 0 H GLY A 71 -6.924 17.468 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.105 17.010 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.445 17.233 -4.117 1.00 0.00 H new TER 1077 GLY A 71