USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 38 TYR OH : rot 165:sc= -0.687 USER MOD Set 1.2: A 58 GLN : amide:sc= -4.47! C(o=-5.2!,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.108 (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 45:sc= 0.0315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 4:sc= 0.57! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.36) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.028) USER MOD Single : A 40 SER OG : rot 180:sc= -0.338 USER MOD Single : A 46 SER OG : rot -101:sc= 1.14 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0.0649 (180deg=0.0572) USER MOD Single : A 63 ASN : amide:sc= -2.15! K(o=-2.1!,f=-0.38) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -19:sc= 0.453! USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 72 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 1.13 (180deg=1.04) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0485) USER MOD Single : A 88 SER OG : rot -150:sc=-0.00668 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 26:sc= 0.37 USER MOD Single : A 100 SER OG : rot 42:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.164 -19.349 -23.837 1.00 0.00 N ATOM 2 CA GLY A 1 11.458 -19.792 -22.485 1.00 0.00 C ATOM 3 C GLY A 1 10.540 -19.106 -21.471 1.00 0.00 C ATOM 4 O GLY A 1 9.493 -18.573 -21.837 1.00 0.00 O ATOM 0 H1 GLY A 1 11.049 -20.177 -24.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.285 -18.793 -23.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.946 -18.760 -24.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.336 -20.873 -22.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.499 -19.573 -22.245 1.00 0.00 H new ATOM 8 N SER A 2 10.966 -19.141 -20.217 1.00 0.00 N ATOM 9 CA SER A 2 10.195 -18.528 -19.148 1.00 0.00 C ATOM 10 C SER A 2 10.950 -18.650 -17.823 1.00 0.00 C ATOM 11 O SER A 2 11.778 -19.545 -17.656 1.00 0.00 O ATOM 12 CB SER A 2 8.811 -19.168 -19.031 1.00 0.00 C ATOM 13 OG SER A 2 8.033 -18.573 -17.995 1.00 0.00 O ATOM 0 H SER A 2 11.835 -19.584 -19.917 1.00 0.00 H new ATOM 0 HA SER A 2 10.059 -17.473 -19.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.285 -19.070 -19.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.920 -20.235 -18.835 1.00 0.00 H new ATOM 0 HG SER A 2 7.156 -19.008 -17.954 1.00 0.00 H new ATOM 19 N SER A 3 10.638 -17.738 -16.914 1.00 0.00 N ATOM 20 CA SER A 3 11.276 -17.732 -15.609 1.00 0.00 C ATOM 21 C SER A 3 10.336 -17.121 -14.569 1.00 0.00 C ATOM 22 O SER A 3 9.287 -16.580 -14.917 1.00 0.00 O ATOM 23 CB SER A 3 12.598 -16.963 -15.646 1.00 0.00 C ATOM 24 OG SER A 3 13.720 -17.820 -15.453 1.00 0.00 O ATOM 0 H SER A 3 9.951 -16.997 -17.056 1.00 0.00 H new ATOM 0 HA SER A 3 11.494 -18.763 -15.331 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.693 -16.452 -16.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.592 -16.194 -14.873 1.00 0.00 H new ATOM 0 HG SER A 3 14.545 -17.292 -15.485 1.00 0.00 H new ATOM 30 N GLY A 4 10.745 -17.227 -13.313 1.00 0.00 N ATOM 31 CA GLY A 4 9.951 -16.692 -12.220 1.00 0.00 C ATOM 32 C GLY A 4 10.783 -15.746 -11.351 1.00 0.00 C ATOM 33 O GLY A 4 12.012 -15.793 -11.377 1.00 0.00 O ATOM 0 H GLY A 4 11.616 -17.675 -13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.087 -16.160 -12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.568 -17.510 -11.610 1.00 0.00 H new ATOM 37 N SER A 5 10.080 -14.911 -10.600 1.00 0.00 N ATOM 38 CA SER A 5 10.738 -13.956 -9.725 1.00 0.00 C ATOM 39 C SER A 5 9.772 -13.496 -8.631 1.00 0.00 C ATOM 40 O SER A 5 8.557 -13.621 -8.779 1.00 0.00 O ATOM 41 CB SER A 5 11.259 -12.753 -10.513 1.00 0.00 C ATOM 42 OG SER A 5 12.670 -12.809 -10.701 1.00 0.00 O ATOM 0 H SER A 5 9.061 -14.876 -10.580 1.00 0.00 H new ATOM 0 HA SER A 5 11.593 -14.450 -9.262 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.765 -12.714 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.000 -11.835 -9.986 1.00 0.00 H new ATOM 0 HG SER A 5 12.928 -13.713 -10.977 1.00 0.00 H new ATOM 48 N SER A 6 10.347 -12.974 -7.558 1.00 0.00 N ATOM 49 CA SER A 6 9.552 -12.495 -6.441 1.00 0.00 C ATOM 50 C SER A 6 9.585 -10.966 -6.393 1.00 0.00 C ATOM 51 O SER A 6 10.352 -10.335 -7.118 1.00 0.00 O ATOM 52 CB SER A 6 10.053 -13.078 -5.118 1.00 0.00 C ATOM 53 OG SER A 6 9.393 -14.297 -4.789 1.00 0.00 O ATOM 0 H SER A 6 11.355 -12.872 -7.439 1.00 0.00 H new ATOM 0 HA SER A 6 8.524 -12.826 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.127 -13.253 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.895 -12.353 -4.319 1.00 0.00 H new ATOM 0 HG SER A 6 9.741 -14.639 -3.939 1.00 0.00 H new ATOM 59 N GLY A 7 8.742 -10.414 -5.532 1.00 0.00 N ATOM 60 CA GLY A 7 8.665 -8.971 -5.380 1.00 0.00 C ATOM 61 C GLY A 7 7.988 -8.328 -6.592 1.00 0.00 C ATOM 62 O GLY A 7 8.352 -8.608 -7.733 1.00 0.00 O ATOM 0 H GLY A 7 8.106 -10.940 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.108 -8.726 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.667 -8.560 -5.258 1.00 0.00 H new ATOM 66 N GLU A 8 7.014 -7.477 -6.303 1.00 0.00 N ATOM 67 CA GLU A 8 6.283 -6.792 -7.355 1.00 0.00 C ATOM 68 C GLU A 8 5.862 -5.397 -6.887 1.00 0.00 C ATOM 69 O GLU A 8 4.786 -5.228 -6.315 1.00 0.00 O ATOM 70 CB GLU A 8 5.069 -7.609 -7.801 1.00 0.00 C ATOM 71 CG GLU A 8 5.396 -8.443 -9.042 1.00 0.00 C ATOM 72 CD GLU A 8 4.121 -8.824 -9.798 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.542 -9.873 -9.442 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.755 -8.057 -10.714 1.00 0.00 O ATOM 0 H GLU A 8 6.714 -7.247 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 8 6.942 -6.682 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.750 -8.265 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.235 -6.941 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.058 -7.879 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.932 -9.345 -8.747 1.00 0.00 H new ATOM 81 N VAL A 9 6.733 -4.433 -7.147 1.00 0.00 N ATOM 82 CA VAL A 9 6.465 -3.058 -6.760 1.00 0.00 C ATOM 83 C VAL A 9 5.410 -2.465 -7.695 1.00 0.00 C ATOM 84 O VAL A 9 5.574 -2.484 -8.914 1.00 0.00 O ATOM 85 CB VAL A 9 7.768 -2.256 -6.744 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.488 -0.758 -6.606 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.699 -2.744 -5.633 1.00 0.00 C ATOM 0 H VAL A 9 7.625 -4.577 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 9 6.061 -3.018 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 9 8.272 -2.417 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.431 -0.211 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.881 -0.422 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.952 -0.572 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.617 -2.157 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.206 -2.628 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.938 -3.795 -5.794 1.00 0.00 H new ATOM 97 N ARG A 10 4.349 -1.953 -7.089 1.00 0.00 N ATOM 98 CA ARG A 10 3.266 -1.356 -7.853 1.00 0.00 C ATOM 99 C ARG A 10 3.453 0.160 -7.943 1.00 0.00 C ATOM 100 O ARG A 10 4.245 0.736 -7.199 1.00 0.00 O ATOM 101 CB ARG A 10 1.909 -1.659 -7.214 1.00 0.00 C ATOM 102 CG ARG A 10 1.860 -1.159 -5.768 1.00 0.00 C ATOM 103 CD ARG A 10 1.480 -2.289 -4.810 1.00 0.00 C ATOM 104 NE ARG A 10 0.076 -2.131 -4.371 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.976 -2.658 -5.013 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.788 -3.381 -6.125 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.215 -2.462 -4.542 1.00 0.00 N ATOM 0 H ARG A 10 4.216 -1.939 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 10 3.288 -1.788 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.116 -1.186 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.723 -2.733 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.831 -0.751 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.137 -0.348 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.609 -3.253 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.143 -2.282 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.103 -1.587 -3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.155 -3.530 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.588 -3.782 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.358 -1.912 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.016 -2.863 -5.030 1.00 0.00 H new ATOM 121 N LEU A 11 2.711 0.762 -8.860 1.00 0.00 N ATOM 122 CA LEU A 11 2.785 2.200 -9.057 1.00 0.00 C ATOM 123 C LEU A 11 1.407 2.816 -8.810 1.00 0.00 C ATOM 124 O LEU A 11 0.523 2.730 -9.661 1.00 0.00 O ATOM 125 CB LEU A 11 3.365 2.523 -10.435 1.00 0.00 C ATOM 126 CG LEU A 11 4.872 2.313 -10.595 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.343 2.750 -11.983 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.645 3.019 -9.479 1.00 0.00 C ATOM 0 H LEU A 11 2.055 0.280 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 11 3.469 2.648 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.852 1.910 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.136 3.563 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 11 5.079 1.247 -10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.418 2.590 -12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.826 2.164 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.121 3.807 -12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.714 2.854 -9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.436 4.088 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.337 2.618 -8.513 1.00 0.00 H new ATOM 140 N VAL A 12 1.266 3.424 -7.641 1.00 0.00 N ATOM 141 CA VAL A 12 0.010 4.054 -7.272 1.00 0.00 C ATOM 142 C VAL A 12 0.066 5.541 -7.628 1.00 0.00 C ATOM 143 O VAL A 12 1.116 6.171 -7.514 1.00 0.00 O ATOM 144 CB VAL A 12 -0.285 3.805 -5.791 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.446 4.677 -5.309 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.565 2.324 -5.529 1.00 0.00 C ATOM 0 H VAL A 12 2.001 3.494 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.816 3.616 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 12 0.602 4.084 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.635 4.480 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.191 5.728 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.340 4.444 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.771 2.175 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.428 2.008 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.305 1.733 -5.816 1.00 0.00 H new ATOM 156 N SER A 13 -1.077 6.058 -8.053 1.00 0.00 N ATOM 157 CA SER A 13 -1.172 7.459 -8.427 1.00 0.00 C ATOM 158 C SER A 13 -2.353 8.114 -7.709 1.00 0.00 C ATOM 159 O SER A 13 -3.490 7.664 -7.839 1.00 0.00 O ATOM 160 CB SER A 13 -1.318 7.616 -9.942 1.00 0.00 C ATOM 161 OG SER A 13 -2.665 7.433 -10.370 1.00 0.00 O ATOM 0 H SER A 13 -1.946 5.532 -8.147 1.00 0.00 H new ATOM 0 HA SER A 13 -0.251 7.957 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.975 8.607 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.676 6.893 -10.445 1.00 0.00 H new ATOM 0 HG SER A 13 -3.243 7.309 -9.588 1.00 0.00 H new ATOM 167 N LEU A 14 -2.043 9.167 -6.966 1.00 0.00 N ATOM 168 CA LEU A 14 -3.066 9.888 -6.227 1.00 0.00 C ATOM 169 C LEU A 14 -3.148 11.324 -6.749 1.00 0.00 C ATOM 170 O LEU A 14 -2.278 11.767 -7.498 1.00 0.00 O ATOM 171 CB LEU A 14 -2.806 9.794 -4.723 1.00 0.00 C ATOM 172 CG LEU A 14 -3.242 8.493 -4.046 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.688 8.146 -4.407 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.279 7.352 -4.379 1.00 0.00 C ATOM 0 H LEU A 14 -1.099 9.538 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.044 9.434 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.738 9.930 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.317 10.624 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.205 8.640 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.973 7.217 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.348 8.949 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.774 8.024 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.612 6.439 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.260 7.195 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.278 7.608 -4.032 1.00 0.00 H new ATOM 186 N ARG A 15 -4.201 12.011 -6.333 1.00 0.00 N ATOM 187 CA ARG A 15 -4.408 13.388 -6.749 1.00 0.00 C ATOM 188 C ARG A 15 -4.702 14.271 -5.534 1.00 0.00 C ATOM 189 O ARG A 15 -4.885 13.768 -4.426 1.00 0.00 O ATOM 190 CB ARG A 15 -5.568 13.495 -7.741 1.00 0.00 C ATOM 191 CG ARG A 15 -5.082 13.291 -9.177 1.00 0.00 C ATOM 192 CD ARG A 15 -5.965 14.051 -10.168 1.00 0.00 C ATOM 193 NE ARG A 15 -6.072 13.294 -11.435 1.00 0.00 N ATOM 194 CZ ARG A 15 -6.657 12.093 -11.545 1.00 0.00 C ATOM 195 NH1 ARG A 15 -7.192 11.507 -10.466 1.00 0.00 N ATOM 196 NH2 ARG A 15 -6.708 11.480 -12.735 1.00 0.00 N ATOM 0 H ARG A 15 -4.920 11.640 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.495 13.728 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.327 12.750 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.041 14.473 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.051 13.632 -9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.089 12.228 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.956 14.204 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.545 15.038 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.676 13.712 -12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.154 11.975 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.637 10.593 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.302 11.927 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.153 10.566 -12.819 1.00 0.00 H new ATOM 210 N ARG A 16 -4.738 15.572 -5.783 1.00 0.00 N ATOM 211 CA ARG A 16 -5.007 16.529 -4.723 1.00 0.00 C ATOM 212 C ARG A 16 -3.901 16.477 -3.668 1.00 0.00 C ATOM 213 O ARG A 16 -3.503 15.397 -3.233 1.00 0.00 O ATOM 214 CB ARG A 16 -6.354 16.248 -4.055 1.00 0.00 C ATOM 215 CG ARG A 16 -7.057 17.551 -3.668 1.00 0.00 C ATOM 216 CD ARG A 16 -7.994 18.020 -4.783 1.00 0.00 C ATOM 217 NE ARG A 16 -7.993 19.498 -4.856 1.00 0.00 N ATOM 218 CZ ARG A 16 -8.965 20.223 -5.429 1.00 0.00 C ATOM 219 NH1 ARG A 16 -10.021 19.610 -5.981 1.00 0.00 N ATOM 220 NH2 ARG A 16 -8.880 21.560 -5.449 1.00 0.00 N ATOM 0 H ARG A 16 -4.585 15.986 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.038 17.521 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.988 15.676 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.202 15.635 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.625 17.403 -2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.314 18.322 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.676 17.600 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.005 17.657 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.204 19.997 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.085 18.592 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.760 20.161 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.076 22.026 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.619 22.112 -5.885 1.00 0.00 H new ATOM 234 N ALA A 17 -3.435 17.657 -3.285 1.00 0.00 N ATOM 235 CA ALA A 17 -2.382 17.758 -2.289 1.00 0.00 C ATOM 236 C ALA A 17 -1.966 19.223 -2.141 1.00 0.00 C ATOM 237 O ALA A 17 -1.600 19.870 -3.121 1.00 0.00 O ATOM 238 CB ALA A 17 -1.212 16.857 -2.687 1.00 0.00 C ATOM 0 H ALA A 17 -3.767 18.551 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.739 17.416 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.423 16.934 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.553 15.824 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.825 17.171 -3.656 1.00 0.00 H new ATOM 244 N LYS A 18 -2.034 19.703 -0.908 1.00 0.00 N ATOM 245 CA LYS A 18 -1.669 21.080 -0.620 1.00 0.00 C ATOM 246 C LYS A 18 -1.799 21.333 0.883 1.00 0.00 C ATOM 247 O LYS A 18 -2.428 22.305 1.300 1.00 0.00 O ATOM 248 CB LYS A 18 -2.489 22.043 -1.479 1.00 0.00 C ATOM 249 CG LYS A 18 -2.233 23.496 -1.072 1.00 0.00 C ATOM 250 CD LYS A 18 -1.945 24.366 -2.296 1.00 0.00 C ATOM 251 CE LYS A 18 -2.016 25.853 -1.941 1.00 0.00 C ATOM 252 NZ LYS A 18 -0.791 26.552 -2.390 1.00 0.00 N ATOM 0 H LYS A 18 -2.336 19.163 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.628 21.262 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.234 21.906 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.550 21.814 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.101 23.886 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.390 23.541 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.957 24.129 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.665 24.142 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.891 26.303 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.135 25.971 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.855 27.560 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.039 26.133 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.694 26.455 -3.421 1.00 0.00 H new ATOM 266 N ALA A 19 -1.195 20.443 1.656 1.00 0.00 N ATOM 267 CA ALA A 19 -1.236 20.558 3.104 1.00 0.00 C ATOM 268 C ALA A 19 -2.536 19.940 3.624 1.00 0.00 C ATOM 269 O ALA A 19 -2.507 18.998 4.414 1.00 0.00 O ATOM 270 CB ALA A 19 -1.088 22.027 3.504 1.00 0.00 C ATOM 0 H ALA A 19 -0.674 19.639 1.307 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.408 20.012 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.119 22.113 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.136 22.410 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.904 22.606 3.071 1.00 0.00 H new ATOM 276 N HIS A 20 -3.645 20.497 3.160 1.00 0.00 N ATOM 277 CA HIS A 20 -4.953 20.013 3.568 1.00 0.00 C ATOM 278 C HIS A 20 -5.297 18.744 2.786 1.00 0.00 C ATOM 279 O HIS A 20 -5.522 18.796 1.578 1.00 0.00 O ATOM 280 CB HIS A 20 -6.009 21.109 3.415 1.00 0.00 C ATOM 281 CG HIS A 20 -5.944 21.846 2.099 1.00 0.00 C ATOM 282 ND1 HIS A 20 -5.540 23.166 1.998 1.00 0.00 N ATOM 283 CD2 HIS A 20 -6.234 21.434 0.831 1.00 0.00 C ATOM 284 CE1 HIS A 20 -5.590 23.522 0.723 1.00 0.00 C ATOM 285 NE2 HIS A 20 -6.020 22.448 0.001 1.00 0.00 N ATOM 0 H HIS A 20 -3.665 21.279 2.505 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.935 19.752 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -6.998 20.663 3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.893 21.826 4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.579 20.450 0.550 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.335 24.493 0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.155 22.427 -1.010 1.00 0.00 H new ATOM 293 N GLU A 21 -5.327 17.633 3.508 1.00 0.00 N ATOM 294 CA GLU A 21 -5.640 16.352 2.897 1.00 0.00 C ATOM 295 C GLU A 21 -4.516 15.926 1.950 1.00 0.00 C ATOM 296 O GLU A 21 -4.367 16.488 0.866 1.00 0.00 O ATOM 297 CB GLU A 21 -6.982 16.408 2.164 1.00 0.00 C ATOM 298 CG GLU A 21 -8.096 15.791 3.013 1.00 0.00 C ATOM 299 CD GLU A 21 -7.968 14.268 3.064 1.00 0.00 C ATOM 300 OE1 GLU A 21 -7.149 13.794 3.881 1.00 0.00 O ATOM 301 OE2 GLU A 21 -8.691 13.611 2.284 1.00 0.00 O ATOM 0 H GLU A 21 -5.140 17.593 4.510 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.725 15.606 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.230 17.443 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.905 15.876 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.055 16.197 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.067 16.064 2.599 1.00 0.00 H new ATOM 308 N GLY A 22 -3.753 14.938 2.395 1.00 0.00 N ATOM 309 CA GLY A 22 -2.647 14.431 1.601 1.00 0.00 C ATOM 310 C GLY A 22 -3.151 13.779 0.311 1.00 0.00 C ATOM 311 O GLY A 22 -3.867 14.407 -0.467 1.00 0.00 O ATOM 0 H GLY A 22 -3.879 14.475 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.965 15.246 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.080 13.704 2.183 1.00 0.00 H new ATOM 315 N LEU A 23 -2.758 12.528 0.126 1.00 0.00 N ATOM 316 CA LEU A 23 -3.161 11.784 -1.056 1.00 0.00 C ATOM 317 C LEU A 23 -4.237 10.767 -0.671 1.00 0.00 C ATOM 318 O LEU A 23 -4.395 9.744 -1.334 1.00 0.00 O ATOM 319 CB LEU A 23 -1.941 11.160 -1.738 1.00 0.00 C ATOM 320 CG LEU A 23 -0.581 11.728 -1.329 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.557 10.824 -1.808 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.416 13.167 -1.823 1.00 0.00 C ATOM 0 H LEU A 23 -2.165 12.010 0.774 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.603 12.453 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.942 10.090 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.052 11.277 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.536 11.754 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.513 11.251 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.445 9.834 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.525 10.743 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.559 13.547 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.491 13.189 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.199 13.791 -1.393 1.00 0.00 H new ATOM 334 N GLY A 24 -4.950 11.085 0.400 1.00 0.00 N ATOM 335 CA GLY A 24 -6.007 10.212 0.882 1.00 0.00 C ATOM 336 C GLY A 24 -5.461 9.190 1.881 1.00 0.00 C ATOM 337 O GLY A 24 -6.212 8.642 2.687 1.00 0.00 O ATOM 0 H GLY A 24 -4.816 11.935 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.788 10.807 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.467 9.694 0.041 1.00 0.00 H new ATOM 341 N PHE A 25 -4.159 8.963 1.795 1.00 0.00 N ATOM 342 CA PHE A 25 -3.504 8.016 2.681 1.00 0.00 C ATOM 343 C PHE A 25 -2.365 8.686 3.453 1.00 0.00 C ATOM 344 O PHE A 25 -1.572 9.429 2.877 1.00 0.00 O ATOM 345 CB PHE A 25 -2.924 6.907 1.802 1.00 0.00 C ATOM 346 CG PHE A 25 -1.611 7.281 1.112 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.426 7.071 1.746 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.628 7.824 -0.135 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.793 7.419 1.106 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.409 8.172 -0.775 1.00 0.00 C ATOM 351 CZ PHE A 25 0.775 7.962 -0.141 1.00 0.00 C ATOM 0 H PHE A 25 -3.540 9.419 1.125 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.220 7.628 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.761 6.020 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.658 6.639 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.412 6.640 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.569 7.991 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.734 7.253 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.423 8.603 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.702 8.226 -0.628 1.00 0.00 H new ATOM 361 N SER A 26 -2.320 8.398 4.746 1.00 0.00 N ATOM 362 CA SER A 26 -1.291 8.962 5.603 1.00 0.00 C ATOM 363 C SER A 26 -0.086 8.022 5.663 1.00 0.00 C ATOM 364 O SER A 26 -0.210 6.830 5.387 1.00 0.00 O ATOM 365 CB SER A 26 -1.830 9.225 7.010 1.00 0.00 C ATOM 366 OG SER A 26 -2.049 10.613 7.247 1.00 0.00 O ATOM 0 H SER A 26 -2.980 7.781 5.221 1.00 0.00 H new ATOM 0 HA SER A 26 -0.978 9.916 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.765 8.682 7.147 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.125 8.838 7.746 1.00 0.00 H new ATOM 0 HG SER A 26 -2.395 10.739 8.155 1.00 0.00 H new ATOM 372 N ILE A 27 1.053 8.593 6.027 1.00 0.00 N ATOM 373 CA ILE A 27 2.280 7.821 6.127 1.00 0.00 C ATOM 374 C ILE A 27 2.791 7.868 7.568 1.00 0.00 C ATOM 375 O ILE A 27 2.345 8.696 8.362 1.00 0.00 O ATOM 376 CB ILE A 27 3.302 8.302 5.095 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.768 9.725 5.409 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.747 8.181 3.675 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.235 9.920 5.018 1.00 0.00 C ATOM 0 H ILE A 27 1.152 9.582 6.256 1.00 0.00 H new ATOM 0 HA ILE A 27 2.092 6.774 5.890 1.00 0.00 H new ATOM 0 HB ILE A 27 4.177 7.655 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.146 10.442 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.641 9.927 6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.494 8.530 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.505 7.139 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.846 8.788 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.541 10.940 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.856 9.218 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.354 9.741 3.949 1.00 0.00 H new ATOM 391 N ARG A 28 3.720 6.970 7.863 1.00 0.00 N ATOM 392 CA ARG A 28 4.296 6.900 9.195 1.00 0.00 C ATOM 393 C ARG A 28 5.779 6.530 9.112 1.00 0.00 C ATOM 394 O ARG A 28 6.297 6.267 8.028 1.00 0.00 O ATOM 395 CB ARG A 28 3.567 5.867 10.056 1.00 0.00 C ATOM 396 CG ARG A 28 3.193 4.632 9.233 1.00 0.00 C ATOM 397 CD ARG A 28 2.727 3.490 10.139 1.00 0.00 C ATOM 398 NE ARG A 28 2.799 2.205 9.409 1.00 0.00 N ATOM 399 CZ ARG A 28 2.865 1.006 10.004 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.870 0.921 11.341 1.00 0.00 N ATOM 401 NH2 ARG A 28 2.927 -0.108 9.262 1.00 0.00 N ATOM 0 H ARG A 28 4.088 6.285 7.203 1.00 0.00 H new ATOM 0 HA ARG A 28 4.188 7.882 9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.201 5.573 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.667 6.312 10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.402 4.887 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.052 4.308 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.350 3.446 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.705 3.672 10.472 1.00 0.00 H new ATOM 0 HE ARG A 28 2.798 2.234 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.824 1.769 11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.920 0.008 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.924 -0.044 8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.977 -1.020 9.715 1.00 0.00 H new ATOM 415 N GLY A 29 6.419 6.522 10.272 1.00 0.00 N ATOM 416 CA GLY A 29 7.832 6.189 10.344 1.00 0.00 C ATOM 417 C GLY A 29 8.699 7.433 10.143 1.00 0.00 C ATOM 418 O GLY A 29 8.409 8.493 10.696 1.00 0.00 O ATOM 0 H GLY A 29 5.986 6.741 11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.054 5.739 11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.074 5.446 9.584 1.00 0.00 H new ATOM 422 N GLY A 30 9.747 7.263 9.351 1.00 0.00 N ATOM 423 CA GLY A 30 10.659 8.359 9.069 1.00 0.00 C ATOM 424 C GLY A 30 12.052 8.071 9.633 1.00 0.00 C ATOM 425 O GLY A 30 12.184 7.442 10.681 1.00 0.00 O ATOM 0 H GLY A 30 9.985 6.382 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.724 8.515 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.271 9.281 9.502 1.00 0.00 H new ATOM 429 N SER A 31 13.057 8.546 8.911 1.00 0.00 N ATOM 430 CA SER A 31 14.435 8.348 9.326 1.00 0.00 C ATOM 431 C SER A 31 14.586 8.671 10.814 1.00 0.00 C ATOM 432 O SER A 31 15.299 7.975 11.534 1.00 0.00 O ATOM 433 CB SER A 31 15.389 9.209 8.496 1.00 0.00 C ATOM 434 OG SER A 31 16.658 8.585 8.323 1.00 0.00 O ATOM 0 H SER A 31 12.944 9.067 8.042 1.00 0.00 H new ATOM 0 HA SER A 31 14.695 7.302 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.945 9.404 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.523 10.174 8.984 1.00 0.00 H new ATOM 0 HG SER A 31 17.237 9.165 7.787 1.00 0.00 H new ATOM 440 N GLU A 32 13.902 9.727 11.229 1.00 0.00 N ATOM 441 CA GLU A 32 13.951 10.150 12.618 1.00 0.00 C ATOM 442 C GLU A 32 13.797 8.944 13.547 1.00 0.00 C ATOM 443 O GLU A 32 14.531 8.811 14.525 1.00 0.00 O ATOM 444 CB GLU A 32 12.881 11.205 12.908 1.00 0.00 C ATOM 445 CG GLU A 32 13.195 11.964 14.198 1.00 0.00 C ATOM 446 CD GLU A 32 12.299 13.196 14.342 1.00 0.00 C ATOM 447 OE1 GLU A 32 12.569 14.181 13.621 1.00 0.00 O ATOM 448 OE2 GLU A 32 11.364 13.125 15.168 1.00 0.00 O ATOM 0 H GLU A 32 13.311 10.302 10.628 1.00 0.00 H new ATOM 0 HA GLU A 32 14.924 10.605 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.821 11.906 12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.906 10.725 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.054 11.305 15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.241 12.269 14.199 1.00 0.00 H new ATOM 455 N HIS A 33 12.837 8.096 13.208 1.00 0.00 N ATOM 456 CA HIS A 33 12.577 6.905 13.999 1.00 0.00 C ATOM 457 C HIS A 33 13.590 5.817 13.636 1.00 0.00 C ATOM 458 O HIS A 33 13.887 4.944 14.451 1.00 0.00 O ATOM 459 CB HIS A 33 11.128 6.446 13.830 1.00 0.00 C ATOM 460 CG HIS A 33 10.243 6.758 15.013 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.104 6.030 15.310 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.342 7.726 15.969 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.550 6.545 16.398 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.318 7.596 16.805 1.00 0.00 N ATOM 0 H HIS A 33 12.230 8.210 12.396 1.00 0.00 H new ATOM 0 HA HIS A 33 12.703 7.132 15.058 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.709 6.919 12.941 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.117 5.370 13.654 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.121 8.471 16.035 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.649 6.194 16.878 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.136 8.185 17.618 1.00 0.00 H new ATOM 472 N GLY A 34 14.091 5.904 12.413 1.00 0.00 N ATOM 473 CA GLY A 34 15.064 4.937 11.932 1.00 0.00 C ATOM 474 C GLY A 34 14.401 3.895 11.029 1.00 0.00 C ATOM 475 O GLY A 34 14.936 2.804 10.839 1.00 0.00 O ATOM 0 H GLY A 34 13.842 6.629 11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.852 5.451 11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.538 4.441 12.779 1.00 0.00 H new ATOM 479 N VAL A 35 13.247 4.269 10.496 1.00 0.00 N ATOM 480 CA VAL A 35 12.506 3.380 9.617 1.00 0.00 C ATOM 481 C VAL A 35 12.254 4.084 8.282 1.00 0.00 C ATOM 482 O VAL A 35 12.538 5.272 8.140 1.00 0.00 O ATOM 483 CB VAL A 35 11.218 2.920 10.303 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.511 2.352 11.694 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.201 4.060 10.380 1.00 0.00 C ATOM 0 H VAL A 35 12.807 5.175 10.656 1.00 0.00 H new ATOM 0 HA VAL A 35 13.085 2.481 9.406 1.00 0.00 H new ATOM 0 HB VAL A 35 10.783 2.123 9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.579 2.032 12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.183 1.499 11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.980 3.120 12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.295 3.707 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.624 4.887 10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.958 4.400 9.373 1.00 0.00 H new ATOM 495 N GLY A 36 11.723 3.320 7.339 1.00 0.00 N ATOM 496 CA GLY A 36 11.430 3.856 6.020 1.00 0.00 C ATOM 497 C GLY A 36 10.102 4.617 6.021 1.00 0.00 C ATOM 498 O GLY A 36 9.708 5.183 7.039 1.00 0.00 O ATOM 0 H GLY A 36 11.488 2.335 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.235 4.521 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.387 3.044 5.294 1.00 0.00 H new ATOM 502 N ILE A 37 9.450 4.605 4.868 1.00 0.00 N ATOM 503 CA ILE A 37 8.175 5.287 4.722 1.00 0.00 C ATOM 504 C ILE A 37 7.096 4.268 4.349 1.00 0.00 C ATOM 505 O ILE A 37 7.247 3.526 3.380 1.00 0.00 O ATOM 506 CB ILE A 37 8.297 6.445 3.730 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.507 7.322 4.057 1.00 0.00 C ATOM 508 CG2 ILE A 37 7.001 7.256 3.671 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.307 8.063 5.380 1.00 0.00 C ATOM 0 H ILE A 37 9.781 4.134 4.026 1.00 0.00 H new ATOM 0 HA ILE A 37 7.874 5.739 5.667 1.00 0.00 H new ATOM 0 HB ILE A 37 8.461 6.027 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.403 6.704 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.667 8.041 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.115 8.073 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.182 6.610 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.782 7.663 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.182 8.679 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.424 8.698 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.172 7.340 6.185 1.00 0.00 H new ATOM 521 N TYR A 38 6.031 4.266 5.137 1.00 0.00 N ATOM 522 CA TYR A 38 4.928 3.350 4.902 1.00 0.00 C ATOM 523 C TYR A 38 3.583 4.037 5.151 1.00 0.00 C ATOM 524 O TYR A 38 3.535 5.127 5.720 1.00 0.00 O ATOM 525 CB TYR A 38 5.101 2.213 5.910 1.00 0.00 C ATOM 526 CG TYR A 38 6.483 1.557 5.877 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.514 2.082 6.628 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.698 0.440 5.095 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.815 1.465 6.596 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.998 -0.178 5.064 1.00 0.00 C ATOM 531 CZ TYR A 38 8.993 0.365 5.816 1.00 0.00 C ATOM 532 OH TYR A 38 10.221 -0.218 5.786 1.00 0.00 O ATOM 0 H TYR A 38 5.909 4.884 5.939 1.00 0.00 H new ATOM 0 HA TYR A 38 4.935 2.998 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.917 2.599 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.344 1.452 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.346 2.956 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.891 0.030 4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.631 1.867 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.179 -1.053 4.457 1.00 0.00 H new ATOM 0 HH TYR A 38 10.149 -1.112 5.391 1.00 0.00 H new ATOM 542 N VAL A 39 2.525 3.370 4.715 1.00 0.00 N ATOM 543 CA VAL A 39 1.183 3.903 4.884 1.00 0.00 C ATOM 544 C VAL A 39 0.774 3.784 6.353 1.00 0.00 C ATOM 545 O VAL A 39 1.011 2.757 6.986 1.00 0.00 O ATOM 546 CB VAL A 39 0.216 3.193 3.934 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.229 3.618 4.206 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.596 3.446 2.474 1.00 0.00 C ATOM 0 H VAL A 39 2.569 2.466 4.245 1.00 0.00 H new ATOM 0 HA VAL A 39 1.155 4.961 4.624 1.00 0.00 H new ATOM 0 HB VAL A 39 0.291 2.121 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.896 3.099 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.496 3.363 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.325 4.694 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.107 2.930 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.563 4.516 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.603 3.072 2.290 1.00 0.00 H new ATOM 558 N SER A 40 0.166 4.850 6.853 1.00 0.00 N ATOM 559 CA SER A 40 -0.279 4.879 8.236 1.00 0.00 C ATOM 560 C SER A 40 -1.797 4.701 8.301 1.00 0.00 C ATOM 561 O SER A 40 -2.301 3.925 9.112 1.00 0.00 O ATOM 562 CB SER A 40 0.132 6.184 8.920 1.00 0.00 C ATOM 563 OG SER A 40 -0.995 6.988 9.257 1.00 0.00 O ATOM 0 H SER A 40 -0.029 5.700 6.325 1.00 0.00 H new ATOM 0 HA SER A 40 0.200 4.056 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.699 5.957 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.794 6.746 8.261 1.00 0.00 H new ATOM 0 HG SER A 40 -0.691 7.811 9.693 1.00 0.00 H new ATOM 569 N LEU A 41 -2.484 5.432 7.436 1.00 0.00 N ATOM 570 CA LEU A 41 -3.935 5.365 7.385 1.00 0.00 C ATOM 571 C LEU A 41 -4.396 5.479 5.930 1.00 0.00 C ATOM 572 O LEU A 41 -3.707 6.072 5.102 1.00 0.00 O ATOM 573 CB LEU A 41 -4.553 6.416 8.310 1.00 0.00 C ATOM 574 CG LEU A 41 -6.079 6.519 8.283 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.616 7.049 9.614 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.551 7.362 7.097 1.00 0.00 C ATOM 0 H LEU A 41 -2.063 6.074 6.764 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.285 4.402 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.241 6.200 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.138 7.390 8.049 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.487 5.517 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.703 7.113 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.326 6.373 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.202 8.039 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.639 7.419 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.135 8.366 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.216 6.902 6.167 1.00 0.00 H new ATOM 588 N VAL A 42 -5.558 4.901 5.665 1.00 0.00 N ATOM 589 CA VAL A 42 -6.119 4.930 4.325 1.00 0.00 C ATOM 590 C VAL A 42 -7.615 5.238 4.409 1.00 0.00 C ATOM 591 O VAL A 42 -8.378 4.475 5.000 1.00 0.00 O ATOM 592 CB VAL A 42 -5.820 3.614 3.603 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.908 3.291 2.578 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.439 3.651 2.945 1.00 0.00 C ATOM 0 H VAL A 42 -6.126 4.410 6.355 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.656 5.721 3.735 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.815 2.818 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.671 2.351 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.869 3.201 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.960 4.090 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.252 2.704 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.403 4.463 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.677 3.812 3.707 1.00 0.00 H new ATOM 604 N GLU A 43 -7.991 6.359 3.811 1.00 0.00 N ATOM 605 CA GLU A 43 -9.382 6.778 3.811 1.00 0.00 C ATOM 606 C GLU A 43 -10.231 5.799 2.998 1.00 0.00 C ATOM 607 O GLU A 43 -9.765 5.243 2.005 1.00 0.00 O ATOM 608 CB GLU A 43 -9.525 8.204 3.275 1.00 0.00 C ATOM 609 CG GLU A 43 -9.245 9.233 4.372 1.00 0.00 C ATOM 610 CD GLU A 43 -8.363 10.367 3.847 1.00 0.00 C ATOM 611 OE1 GLU A 43 -8.690 10.882 2.756 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.381 10.694 4.549 1.00 0.00 O ATOM 0 H GLU A 43 -7.356 6.990 3.323 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.743 6.774 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.835 8.355 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.532 8.350 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.186 9.641 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.755 8.747 5.215 1.00 0.00 H new ATOM 619 N PRO A 44 -11.496 5.613 3.462 1.00 0.00 N ATOM 620 CA PRO A 44 -12.415 4.710 2.789 1.00 0.00 C ATOM 621 C PRO A 44 -12.944 5.331 1.494 1.00 0.00 C ATOM 622 O PRO A 44 -12.944 6.552 1.342 1.00 0.00 O ATOM 623 CB PRO A 44 -13.510 4.434 3.806 1.00 0.00 C ATOM 624 CG PRO A 44 -13.413 5.547 4.836 1.00 0.00 C ATOM 625 CD PRO A 44 -12.083 6.254 4.635 1.00 0.00 C ATOM 0 HA PRO A 44 -11.938 3.781 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.491 4.426 3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.373 3.458 4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.239 6.248 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.480 5.140 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.223 7.323 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.441 6.145 5.509 1.00 0.00 H new ATOM 633 N GLY A 45 -13.382 4.463 0.595 1.00 0.00 N ATOM 634 CA GLY A 45 -13.912 4.910 -0.682 1.00 0.00 C ATOM 635 C GLY A 45 -12.991 5.950 -1.324 1.00 0.00 C ATOM 636 O GLY A 45 -13.430 6.745 -2.153 1.00 0.00 O ATOM 0 H GLY A 45 -13.381 3.451 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.026 4.057 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.905 5.337 -0.538 1.00 0.00 H new ATOM 640 N SER A 46 -11.731 5.909 -0.917 1.00 0.00 N ATOM 641 CA SER A 46 -10.744 6.837 -1.442 1.00 0.00 C ATOM 642 C SER A 46 -10.000 6.200 -2.618 1.00 0.00 C ATOM 643 O SER A 46 -10.085 4.991 -2.829 1.00 0.00 O ATOM 644 CB SER A 46 -9.755 7.262 -0.356 1.00 0.00 C ATOM 645 OG SER A 46 -8.675 6.342 -0.227 1.00 0.00 O ATOM 0 H SER A 46 -11.371 5.247 -0.229 1.00 0.00 H new ATOM 0 HA SER A 46 -11.265 7.729 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.362 8.251 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.277 7.344 0.597 1.00 0.00 H new ATOM 0 HG SER A 46 -8.827 5.766 0.551 1.00 0.00 H new ATOM 651 N LEU A 47 -9.288 7.042 -3.352 1.00 0.00 N ATOM 652 CA LEU A 47 -8.530 6.576 -4.501 1.00 0.00 C ATOM 653 C LEU A 47 -7.432 5.622 -4.029 1.00 0.00 C ATOM 654 O LEU A 47 -7.313 4.507 -4.534 1.00 0.00 O ATOM 655 CB LEU A 47 -8.007 7.762 -5.314 1.00 0.00 C ATOM 656 CG LEU A 47 -7.625 7.464 -6.765 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.659 8.736 -7.614 1.00 0.00 C ATOM 658 CD2 LEU A 47 -6.268 6.761 -6.841 1.00 0.00 C ATOM 0 H LEU A 47 -9.220 8.044 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.172 6.013 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.768 8.542 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.133 8.169 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.366 6.781 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.383 8.496 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.664 9.158 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.954 9.462 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.020 6.560 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.502 7.400 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.314 5.821 -6.292 1.00 0.00 H new ATOM 670 N ALA A 48 -6.656 6.095 -3.064 1.00 0.00 N ATOM 671 CA ALA A 48 -5.571 5.298 -2.518 1.00 0.00 C ATOM 672 C ALA A 48 -6.028 3.844 -2.388 1.00 0.00 C ATOM 673 O ALA A 48 -5.330 2.929 -2.823 1.00 0.00 O ATOM 674 CB ALA A 48 -5.124 5.891 -1.180 1.00 0.00 C ATOM 0 H ALA A 48 -6.758 7.020 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.709 5.314 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.310 5.293 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.781 6.914 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.962 5.889 -0.483 1.00 0.00 H new ATOM 680 N GLU A 49 -7.196 3.676 -1.786 1.00 0.00 N ATOM 681 CA GLU A 49 -7.754 2.348 -1.593 1.00 0.00 C ATOM 682 C GLU A 49 -8.055 1.697 -2.944 1.00 0.00 C ATOM 683 O GLU A 49 -7.767 0.518 -3.147 1.00 0.00 O ATOM 684 CB GLU A 49 -9.009 2.403 -0.719 1.00 0.00 C ATOM 685 CG GLU A 49 -9.477 0.996 -0.343 1.00 0.00 C ATOM 686 CD GLU A 49 -8.758 0.496 0.911 1.00 0.00 C ATOM 687 OE1 GLU A 49 -8.983 1.108 1.977 1.00 0.00 O ATOM 688 OE2 GLU A 49 -7.998 -0.488 0.775 1.00 0.00 O ATOM 0 H GLU A 49 -7.771 4.437 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.016 1.737 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.802 2.975 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.805 2.925 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.553 1.001 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.289 0.313 -1.171 1.00 0.00 H new ATOM 695 N LYS A 50 -8.630 2.493 -3.834 1.00 0.00 N ATOM 696 CA LYS A 50 -8.973 2.008 -5.160 1.00 0.00 C ATOM 697 C LYS A 50 -7.707 1.507 -5.858 1.00 0.00 C ATOM 698 O LYS A 50 -7.742 0.505 -6.570 1.00 0.00 O ATOM 699 CB LYS A 50 -9.723 3.085 -5.946 1.00 0.00 C ATOM 700 CG LYS A 50 -11.053 3.429 -5.272 1.00 0.00 C ATOM 701 CD LYS A 50 -11.596 4.766 -5.781 1.00 0.00 C ATOM 702 CE LYS A 50 -12.323 5.522 -4.668 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.785 5.510 -4.902 1.00 0.00 N ATOM 0 H LYS A 50 -8.867 3.470 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.656 1.161 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.107 3.981 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.906 2.737 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.779 2.640 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.916 3.476 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.776 5.374 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.278 4.592 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.099 5.065 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.964 6.550 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.271 5.922 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.005 6.069 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.107 4.531 -5.039 1.00 0.00 H new ATOM 717 N GLU A 51 -6.619 2.228 -5.630 1.00 0.00 N ATOM 718 CA GLU A 51 -5.344 1.869 -6.228 1.00 0.00 C ATOM 719 C GLU A 51 -4.757 0.641 -5.530 1.00 0.00 C ATOM 720 O GLU A 51 -3.756 0.086 -5.979 1.00 0.00 O ATOM 721 CB GLU A 51 -4.366 3.045 -6.182 1.00 0.00 C ATOM 722 CG GLU A 51 -4.933 4.259 -6.921 1.00 0.00 C ATOM 723 CD GLU A 51 -4.611 4.189 -8.416 1.00 0.00 C ATOM 724 OE1 GLU A 51 -3.429 4.416 -8.753 1.00 0.00 O ATOM 725 OE2 GLU A 51 -5.555 3.911 -9.187 1.00 0.00 O ATOM 0 H GLU A 51 -6.594 3.059 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.514 1.621 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.159 3.310 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.417 2.752 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.013 4.304 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.518 5.174 -6.498 1.00 0.00 H new ATOM 732 N GLY A 52 -5.407 0.251 -4.443 1.00 0.00 N ATOM 733 CA GLY A 52 -4.962 -0.902 -3.679 1.00 0.00 C ATOM 734 C GLY A 52 -4.264 -0.469 -2.388 1.00 0.00 C ATOM 735 O GLY A 52 -4.175 -1.242 -1.436 1.00 0.00 O ATOM 0 H GLY A 52 -6.238 0.713 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.816 -1.536 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.280 -1.501 -4.282 1.00 0.00 H new ATOM 739 N LEU A 53 -3.787 0.768 -2.398 1.00 0.00 N ATOM 740 CA LEU A 53 -3.100 1.314 -1.240 1.00 0.00 C ATOM 741 C LEU A 53 -3.808 0.848 0.034 1.00 0.00 C ATOM 742 O LEU A 53 -5.013 0.603 0.024 1.00 0.00 O ATOM 743 CB LEU A 53 -2.980 2.834 -1.356 1.00 0.00 C ATOM 744 CG LEU A 53 -1.629 3.433 -0.958 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.653 3.414 -2.137 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.801 4.838 -0.379 1.00 0.00 C ATOM 0 H LEU A 53 -3.863 1.407 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.077 0.940 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.191 3.118 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.753 3.288 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.198 2.812 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.299 3.845 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.497 2.386 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.065 3.998 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.826 5.240 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.264 5.485 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.436 4.792 0.505 1.00 0.00 H new ATOM 758 N ARG A 54 -3.029 0.742 1.101 1.00 0.00 N ATOM 759 CA ARG A 54 -3.566 0.310 2.380 1.00 0.00 C ATOM 760 C ARG A 54 -2.458 0.264 3.433 1.00 0.00 C ATOM 761 O ARG A 54 -1.314 -0.065 3.122 1.00 0.00 O ATOM 762 CB ARG A 54 -4.212 -1.073 2.268 1.00 0.00 C ATOM 763 CG ARG A 54 -5.727 -0.988 2.462 1.00 0.00 C ATOM 764 CD ARG A 54 -6.114 -1.315 3.906 1.00 0.00 C ATOM 765 NE ARG A 54 -7.585 -1.422 4.024 1.00 0.00 N ATOM 766 CZ ARG A 54 -8.224 -1.802 5.139 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.524 -2.113 6.239 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.562 -1.871 5.155 1.00 0.00 N ATOM 0 H ARG A 54 -2.030 0.948 1.106 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.327 1.030 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.990 -1.504 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.783 -1.740 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.074 0.013 2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.224 -1.681 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.647 -2.251 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.743 -0.539 4.575 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.148 -1.192 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.505 -2.060 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.010 -2.402 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.095 -1.634 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.048 -2.160 6.004 1.00 0.00 H new ATOM 782 N VAL A 55 -2.835 0.599 4.658 1.00 0.00 N ATOM 783 CA VAL A 55 -1.886 0.601 5.759 1.00 0.00 C ATOM 784 C VAL A 55 -1.069 -0.692 5.724 1.00 0.00 C ATOM 785 O VAL A 55 -1.615 -1.781 5.896 1.00 0.00 O ATOM 786 CB VAL A 55 -2.623 0.806 7.084 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.689 0.572 8.273 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.256 2.197 7.149 1.00 0.00 C ATOM 0 H VAL A 55 -3.784 0.871 4.913 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.186 1.431 5.659 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.425 0.070 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.238 0.724 9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.307 -0.448 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.856 1.273 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.774 2.317 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.478 2.955 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.968 2.311 6.332 1.00 0.00 H new ATOM 798 N GLY A 56 0.227 -0.529 5.500 1.00 0.00 N ATOM 799 CA GLY A 56 1.125 -1.670 5.440 1.00 0.00 C ATOM 800 C GLY A 56 2.163 -1.493 4.330 1.00 0.00 C ATOM 801 O GLY A 56 3.346 -1.760 4.533 1.00 0.00 O ATOM 0 H GLY A 56 0.676 0.376 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.629 -1.791 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.551 -2.580 5.265 1.00 0.00 H new ATOM 805 N ASP A 57 1.682 -1.043 3.180 1.00 0.00 N ATOM 806 CA ASP A 57 2.554 -0.826 2.038 1.00 0.00 C ATOM 807 C ASP A 57 3.793 -0.050 2.487 1.00 0.00 C ATOM 808 O ASP A 57 3.868 0.400 3.630 1.00 0.00 O ATOM 809 CB ASP A 57 1.849 -0.006 0.955 1.00 0.00 C ATOM 810 CG ASP A 57 0.830 -0.781 0.118 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.704 -2.000 0.362 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.199 -0.136 -0.747 1.00 0.00 O ATOM 0 H ASP A 57 0.700 -0.823 3.015 1.00 0.00 H new ATOM 0 HA ASP A 57 2.827 -1.800 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.343 0.835 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.603 0.411 0.287 1.00 0.00 H new ATOM 817 N GLN A 58 4.736 0.082 1.566 1.00 0.00 N ATOM 818 CA GLN A 58 5.968 0.796 1.853 1.00 0.00 C ATOM 819 C GLN A 58 6.301 1.761 0.713 1.00 0.00 C ATOM 820 O GLN A 58 6.669 1.333 -0.380 1.00 0.00 O ATOM 821 CB GLN A 58 7.122 -0.178 2.100 1.00 0.00 C ATOM 822 CG GLN A 58 8.429 0.573 2.359 1.00 0.00 C ATOM 823 CD GLN A 58 9.580 -0.401 2.618 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.494 -1.588 2.349 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.658 0.165 3.153 1.00 0.00 N ATOM 0 H GLN A 58 4.671 -0.294 0.620 1.00 0.00 H new ATOM 0 HA GLN A 58 5.824 1.376 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.889 -0.814 2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.240 -0.833 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.667 1.202 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.308 1.235 3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.663 1.165 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.480 -0.401 3.363 1.00 0.00 H new ATOM 834 N ILE A 59 6.159 3.045 1.007 1.00 0.00 N ATOM 835 CA ILE A 59 6.439 4.075 0.021 1.00 0.00 C ATOM 836 C ILE A 59 7.946 4.126 -0.243 1.00 0.00 C ATOM 837 O ILE A 59 8.658 4.926 0.361 1.00 0.00 O ATOM 838 CB ILE A 59 5.846 5.414 0.461 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.371 5.264 0.836 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.059 6.486 -0.610 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.502 5.092 -0.412 1.00 0.00 C ATOM 0 H ILE A 59 5.853 3.396 1.915 1.00 0.00 H new ATOM 0 HA ILE A 59 5.957 3.836 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 59 6.373 5.743 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.245 4.403 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.043 6.141 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.628 7.428 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.127 6.618 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.574 6.177 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.458 4.987 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.612 5.965 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.817 4.200 -0.954 1.00 0.00 H new ATOM 853 N LEU A 60 8.386 3.261 -1.144 1.00 0.00 N ATOM 854 CA LEU A 60 9.795 3.197 -1.495 1.00 0.00 C ATOM 855 C LEU A 60 10.207 4.505 -2.173 1.00 0.00 C ATOM 856 O LEU A 60 11.153 5.161 -1.742 1.00 0.00 O ATOM 857 CB LEU A 60 10.082 1.951 -2.335 1.00 0.00 C ATOM 858 CG LEU A 60 9.535 0.632 -1.787 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.734 -0.504 -2.793 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.150 0.306 -0.425 1.00 0.00 C ATOM 0 H LEU A 60 7.792 2.598 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 60 10.407 3.096 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.669 2.106 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.162 1.854 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 60 8.461 0.744 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.337 -1.431 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.210 -0.266 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.797 -0.625 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.744 -0.637 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.232 0.220 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.913 1.102 0.281 1.00 0.00 H new ATOM 872 N ARG A 61 9.475 4.845 -3.225 1.00 0.00 N ATOM 873 CA ARG A 61 9.753 6.063 -3.967 1.00 0.00 C ATOM 874 C ARG A 61 8.500 6.938 -4.038 1.00 0.00 C ATOM 875 O ARG A 61 7.399 6.477 -3.742 1.00 0.00 O ATOM 876 CB ARG A 61 10.226 5.746 -5.387 1.00 0.00 C ATOM 877 CG ARG A 61 11.723 5.428 -5.409 1.00 0.00 C ATOM 878 CD ARG A 61 12.072 4.511 -6.582 1.00 0.00 C ATOM 879 NE ARG A 61 13.206 3.633 -6.218 1.00 0.00 N ATOM 880 CZ ARG A 61 13.103 2.567 -5.413 1.00 0.00 C ATOM 881 NH1 ARG A 61 11.916 2.240 -4.883 1.00 0.00 N ATOM 882 NH2 ARG A 61 14.186 1.827 -5.138 1.00 0.00 N ATOM 0 H ARG A 61 8.691 4.298 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 61 10.545 6.598 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.665 4.898 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.021 6.594 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.294 6.354 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.011 4.951 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.206 3.907 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.330 5.108 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 61 14.124 3.853 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.091 2.803 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.837 1.428 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.089 2.075 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.107 1.016 -4.525 1.00 0.00 H new ATOM 896 N VAL A 62 8.710 8.186 -4.432 1.00 0.00 N ATOM 897 CA VAL A 62 7.612 9.130 -4.545 1.00 0.00 C ATOM 898 C VAL A 62 7.853 10.045 -5.747 1.00 0.00 C ATOM 899 O VAL A 62 8.709 10.928 -5.697 1.00 0.00 O ATOM 900 CB VAL A 62 7.445 9.898 -3.232 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.505 10.993 -3.099 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.035 10.482 -3.114 1.00 0.00 C ATOM 0 H VAL A 62 9.625 8.565 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 62 6.673 8.605 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 62 7.586 9.194 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.364 11.524 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.497 10.543 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.410 11.694 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.943 11.023 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.853 11.165 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.303 9.675 -3.142 1.00 0.00 H new ATOM 912 N ASN A 63 7.085 9.803 -6.798 1.00 0.00 N ATOM 913 CA ASN A 63 7.205 10.595 -8.011 1.00 0.00 C ATOM 914 C ASN A 63 8.348 10.042 -8.865 1.00 0.00 C ATOM 915 O ASN A 63 8.170 9.783 -10.054 1.00 0.00 O ATOM 916 CB ASN A 63 7.521 12.056 -7.686 1.00 0.00 C ATOM 917 CG ASN A 63 6.848 12.999 -8.685 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.101 12.965 -9.878 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.977 13.839 -8.133 1.00 0.00 N ATOM 0 H ASN A 63 6.377 9.070 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 63 6.256 10.542 -8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.183 12.289 -6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.600 12.211 -7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.474 14.508 -8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.812 13.814 -7.127 1.00 0.00 H new ATOM 926 N ASP A 64 9.496 9.879 -8.225 1.00 0.00 N ATOM 927 CA ASP A 64 10.668 9.361 -8.910 1.00 0.00 C ATOM 928 C ASP A 64 11.807 9.186 -7.904 1.00 0.00 C ATOM 929 O ASP A 64 12.457 8.142 -7.873 1.00 0.00 O ATOM 930 CB ASP A 64 11.143 10.329 -9.996 1.00 0.00 C ATOM 931 CG ASP A 64 11.537 9.672 -11.321 1.00 0.00 C ATOM 932 OD1 ASP A 64 11.126 8.509 -11.522 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.241 10.348 -12.102 1.00 0.00 O ATOM 0 H ASP A 64 9.640 10.097 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 64 10.398 8.409 -9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.351 11.053 -10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.999 10.887 -9.616 1.00 0.00 H new ATOM 938 N LYS A 65 12.013 10.223 -7.105 1.00 0.00 N ATOM 939 CA LYS A 65 13.062 10.196 -6.100 1.00 0.00 C ATOM 940 C LYS A 65 12.699 9.178 -5.017 1.00 0.00 C ATOM 941 O LYS A 65 11.548 9.104 -4.590 1.00 0.00 O ATOM 942 CB LYS A 65 13.321 11.603 -5.558 1.00 0.00 C ATOM 943 CG LYS A 65 13.957 12.494 -6.628 1.00 0.00 C ATOM 944 CD LYS A 65 14.957 13.470 -6.004 1.00 0.00 C ATOM 945 CE LYS A 65 15.957 13.972 -7.048 1.00 0.00 C ATOM 946 NZ LYS A 65 16.189 15.425 -6.887 1.00 0.00 N ATOM 0 H LYS A 65 11.471 11.087 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 65 14.004 9.871 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.383 12.045 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.977 11.547 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.462 11.875 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.180 13.050 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.423 14.316 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.491 12.979 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.899 13.434 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.580 13.767 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.870 15.749 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.291 15.935 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.570 15.613 -5.937 1.00 0.00 H new ATOM 960 N SER A 66 13.703 8.417 -4.605 1.00 0.00 N ATOM 961 CA SER A 66 13.504 7.406 -3.580 1.00 0.00 C ATOM 962 C SER A 66 13.809 7.992 -2.201 1.00 0.00 C ATOM 963 O SER A 66 14.912 8.481 -1.960 1.00 0.00 O ATOM 964 CB SER A 66 14.379 6.178 -3.841 1.00 0.00 C ATOM 965 OG SER A 66 15.584 6.210 -3.081 1.00 0.00 O ATOM 0 H SER A 66 14.656 8.480 -4.962 1.00 0.00 H new ATOM 0 HA SER A 66 12.462 7.089 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.819 5.275 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.621 6.124 -4.902 1.00 0.00 H new ATOM 0 HG SER A 66 15.759 7.127 -2.784 1.00 0.00 H new ATOM 971 N LEU A 67 12.812 7.924 -1.330 1.00 0.00 N ATOM 972 CA LEU A 67 12.960 8.442 0.019 1.00 0.00 C ATOM 973 C LEU A 67 13.877 7.515 0.819 1.00 0.00 C ATOM 974 O LEU A 67 14.972 7.911 1.217 1.00 0.00 O ATOM 975 CB LEU A 67 11.589 8.657 0.664 1.00 0.00 C ATOM 976 CG LEU A 67 10.570 9.435 -0.170 1.00 0.00 C ATOM 977 CD1 LEU A 67 9.166 9.312 0.425 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.997 10.895 -0.335 1.00 0.00 C ATOM 0 H LEU A 67 11.899 7.518 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 67 13.435 9.423 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.165 7.682 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.732 9.182 1.609 1.00 0.00 H new ATOM 0 HG LEU A 67 10.537 8.995 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.461 9.874 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.871 8.263 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.164 9.711 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.255 11.426 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.077 11.364 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.964 10.937 -0.837 1.00 0.00 H new ATOM 990 N ALA A 68 13.397 6.298 1.030 1.00 0.00 N ATOM 991 CA ALA A 68 14.160 5.312 1.775 1.00 0.00 C ATOM 992 C ALA A 68 13.894 5.490 3.271 1.00 0.00 C ATOM 993 O ALA A 68 13.662 4.516 3.985 1.00 0.00 O ATOM 994 CB ALA A 68 15.644 5.445 1.428 1.00 0.00 C ATOM 0 H ALA A 68 12.489 5.973 0.698 1.00 0.00 H new ATOM 0 HA ALA A 68 13.850 4.303 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.216 4.705 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.784 5.280 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.991 6.445 1.689 1.00 0.00 H new ATOM 1000 N ARG A 69 13.935 6.743 3.702 1.00 0.00 N ATOM 1001 CA ARG A 69 13.701 7.062 5.100 1.00 0.00 C ATOM 1002 C ARG A 69 13.201 8.501 5.240 1.00 0.00 C ATOM 1003 O ARG A 69 11.996 8.740 5.299 1.00 0.00 O ATOM 1004 CB ARG A 69 14.978 6.890 5.925 1.00 0.00 C ATOM 1005 CG ARG A 69 15.149 5.438 6.377 1.00 0.00 C ATOM 1006 CD ARG A 69 16.106 4.685 5.450 1.00 0.00 C ATOM 1007 NE ARG A 69 17.394 4.447 6.139 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.319 3.572 5.721 1.00 0.00 C ATOM 1009 NH1 ARG A 69 18.104 2.849 4.614 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.459 3.422 6.409 1.00 0.00 N ATOM 0 H ARG A 69 14.127 7.549 3.107 1.00 0.00 H new ATOM 0 HA ARG A 69 12.944 6.373 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.841 7.194 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.943 7.544 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.531 5.414 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.180 4.940 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.663 3.735 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.272 5.261 4.539 1.00 0.00 H new ATOM 0 HE ARG A 69 17.590 4.982 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.237 2.965 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.808 2.183 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.623 3.974 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.163 2.756 6.091 1.00 0.00 H new ATOM 1024 N VAL A 70 14.152 9.422 5.288 1.00 0.00 N ATOM 1025 CA VAL A 70 13.823 10.831 5.420 1.00 0.00 C ATOM 1026 C VAL A 70 12.891 11.023 6.617 1.00 0.00 C ATOM 1027 O VAL A 70 12.293 10.064 7.103 1.00 0.00 O ATOM 1028 CB VAL A 70 13.230 11.354 4.110 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.113 10.979 2.919 1.00 0.00 C ATOM 1030 CG2 VAL A 70 11.800 10.846 3.914 1.00 0.00 C ATOM 0 H VAL A 70 15.151 9.220 5.238 1.00 0.00 H new ATOM 0 HA VAL A 70 14.722 11.417 5.612 1.00 0.00 H new ATOM 0 HB VAL A 70 13.194 12.442 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.668 11.363 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.105 11.412 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.197 9.894 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.402 11.232 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.802 9.756 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.176 11.187 4.740 1.00 0.00 H new ATOM 1040 N THR A 71 12.796 12.269 7.059 1.00 0.00 N ATOM 1041 CA THR A 71 11.946 12.599 8.191 1.00 0.00 C ATOM 1042 C THR A 71 10.476 12.610 7.769 1.00 0.00 C ATOM 1043 O THR A 71 10.157 12.933 6.625 1.00 0.00 O ATOM 1044 CB THR A 71 12.424 13.933 8.767 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.743 14.713 7.618 1.00 0.00 O ATOM 1046 CG2 THR A 71 13.754 13.807 9.513 1.00 0.00 C ATOM 0 H THR A 71 13.293 13.062 6.654 1.00 0.00 H new ATOM 0 HA THR A 71 12.020 11.845 8.975 1.00 0.00 H new ATOM 0 HB THR A 71 11.666 14.328 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.060 15.596 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.047 14.782 9.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.642 13.106 10.340 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.521 13.443 8.830 1.00 0.00 H new ATOM 1054 N HIS A 72 9.619 12.254 8.714 1.00 0.00 N ATOM 1055 CA HIS A 72 8.190 12.219 8.454 1.00 0.00 C ATOM 1056 C HIS A 72 7.769 13.498 7.728 1.00 0.00 C ATOM 1057 O HIS A 72 6.794 13.499 6.978 1.00 0.00 O ATOM 1058 CB HIS A 72 7.408 11.989 9.749 1.00 0.00 C ATOM 1059 CG HIS A 72 6.035 11.394 9.540 1.00 0.00 C ATOM 1060 ND1 HIS A 72 4.869 12.080 9.833 1.00 0.00 N ATOM 1061 CD2 HIS A 72 5.656 10.174 9.064 1.00 0.00 C ATOM 1062 CE1 HIS A 72 3.840 11.297 9.542 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.330 10.116 9.067 1.00 0.00 N ATOM 0 H HIS A 72 9.887 11.987 9.661 1.00 0.00 H new ATOM 0 HA HIS A 72 7.956 11.378 7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.984 11.329 10.397 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.305 12.939 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.322 9.388 8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.797 11.550 9.660 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.770 9.319 8.764 1.00 0.00 H new ATOM 1071 N ALA A 73 8.526 14.557 7.975 1.00 0.00 N ATOM 1072 CA ALA A 73 8.244 15.840 7.353 1.00 0.00 C ATOM 1073 C ALA A 73 8.747 15.823 5.908 1.00 0.00 C ATOM 1074 O ALA A 73 8.072 16.319 5.007 1.00 0.00 O ATOM 1075 CB ALA A 73 8.882 16.959 8.180 1.00 0.00 C ATOM 0 H ALA A 73 9.334 14.553 8.597 1.00 0.00 H new ATOM 0 HA ALA A 73 7.170 16.026 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.671 17.921 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.470 16.946 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.960 16.807 8.227 1.00 0.00 H new ATOM 1081 N GLU A 74 9.927 15.248 5.733 1.00 0.00 N ATOM 1082 CA GLU A 74 10.528 15.160 4.413 1.00 0.00 C ATOM 1083 C GLU A 74 9.623 14.366 3.469 1.00 0.00 C ATOM 1084 O GLU A 74 9.132 14.901 2.476 1.00 0.00 O ATOM 1085 CB GLU A 74 11.924 14.539 4.486 1.00 0.00 C ATOM 1086 CG GLU A 74 12.970 15.584 4.877 1.00 0.00 C ATOM 1087 CD GLU A 74 13.076 16.679 3.814 1.00 0.00 C ATOM 1088 OE1 GLU A 74 12.767 16.366 2.644 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.463 17.805 4.195 1.00 0.00 O ATOM 0 H GLU A 74 10.483 14.838 6.483 1.00 0.00 H new ATOM 0 HA GLU A 74 10.636 16.170 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.927 13.727 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.183 14.104 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.704 16.028 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.939 15.103 5.006 1.00 0.00 H new ATOM 1096 N ALA A 75 9.429 13.101 3.813 1.00 0.00 N ATOM 1097 CA ALA A 75 8.591 12.227 3.009 1.00 0.00 C ATOM 1098 C ALA A 75 7.313 12.972 2.618 1.00 0.00 C ATOM 1099 O ALA A 75 6.920 12.969 1.452 1.00 0.00 O ATOM 1100 CB ALA A 75 8.302 10.941 3.785 1.00 0.00 C ATOM 0 H ALA A 75 9.838 12.661 4.637 1.00 0.00 H new ATOM 0 HA ALA A 75 9.103 11.944 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.674 10.286 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.240 10.435 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.786 11.185 4.714 1.00 0.00 H new ATOM 1106 N VAL A 76 6.698 13.591 3.615 1.00 0.00 N ATOM 1107 CA VAL A 76 5.472 14.338 3.390 1.00 0.00 C ATOM 1108 C VAL A 76 5.744 15.469 2.396 1.00 0.00 C ATOM 1109 O VAL A 76 5.041 15.602 1.396 1.00 0.00 O ATOM 1110 CB VAL A 76 4.911 14.836 4.724 1.00 0.00 C ATOM 1111 CG1 VAL A 76 3.689 15.731 4.504 1.00 0.00 C ATOM 1112 CG2 VAL A 76 4.574 13.665 5.649 1.00 0.00 C ATOM 0 H VAL A 76 7.026 13.591 4.581 1.00 0.00 H new ATOM 0 HA VAL A 76 4.708 13.696 2.951 1.00 0.00 H new ATOM 0 HB VAL A 76 5.682 15.434 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.309 16.072 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.973 16.593 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.913 15.166 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.177 14.047 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.829 13.028 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.476 13.085 5.844 1.00 0.00 H new ATOM 1122 N LYS A 77 6.765 16.254 2.707 1.00 0.00 N ATOM 1123 CA LYS A 77 7.139 17.369 1.853 1.00 0.00 C ATOM 1124 C LYS A 77 7.399 16.855 0.435 1.00 0.00 C ATOM 1125 O LYS A 77 7.346 17.621 -0.526 1.00 0.00 O ATOM 1126 CB LYS A 77 8.319 18.133 2.456 1.00 0.00 C ATOM 1127 CG LYS A 77 7.833 19.259 3.371 1.00 0.00 C ATOM 1128 CD LYS A 77 8.912 20.330 3.544 1.00 0.00 C ATOM 1129 CE LYS A 77 8.400 21.492 4.397 1.00 0.00 C ATOM 1130 NZ LYS A 77 9.484 22.025 5.251 1.00 0.00 N ATOM 0 H LYS A 77 7.345 16.140 3.538 1.00 0.00 H new ATOM 0 HA LYS A 77 6.323 18.089 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.950 17.447 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.934 18.548 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.933 19.709 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.562 18.850 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.793 19.891 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.222 20.700 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.015 22.282 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.571 21.156 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.119 22.813 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.833 21.273 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.263 22.364 4.652 1.00 0.00 H new ATOM 1144 N ALA A 78 7.674 15.562 0.350 1.00 0.00 N ATOM 1145 CA ALA A 78 7.942 14.937 -0.934 1.00 0.00 C ATOM 1146 C ALA A 78 6.629 14.432 -1.535 1.00 0.00 C ATOM 1147 O ALA A 78 6.414 14.534 -2.742 1.00 0.00 O ATOM 1148 CB ALA A 78 8.969 13.817 -0.753 1.00 0.00 C ATOM 0 H ALA A 78 7.717 14.930 1.149 1.00 0.00 H new ATOM 0 HA ALA A 78 8.367 15.660 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.170 13.348 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.893 14.232 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.576 13.071 -0.062 1.00 0.00 H new ATOM 1154 N LEU A 79 5.784 13.899 -0.665 1.00 0.00 N ATOM 1155 CA LEU A 79 4.497 13.378 -1.095 1.00 0.00 C ATOM 1156 C LEU A 79 3.571 14.544 -1.446 1.00 0.00 C ATOM 1157 O LEU A 79 2.862 15.059 -0.582 1.00 0.00 O ATOM 1158 CB LEU A 79 3.922 12.431 -0.039 1.00 0.00 C ATOM 1159 CG LEU A 79 4.611 11.071 0.089 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.519 10.543 1.522 1.00 0.00 C ATOM 1161 CD2 LEU A 79 4.050 10.075 -0.927 1.00 0.00 C ATOM 0 H LEU A 79 5.965 13.817 0.335 1.00 0.00 H new ATOM 0 HA LEU A 79 4.611 12.779 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.964 12.930 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.869 12.263 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 79 5.669 11.201 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.016 9.575 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.003 11.245 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.472 10.432 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.557 9.116 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.982 9.943 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.211 10.455 -1.936 1.00 0.00 H new ATOM 1173 N LYS A 80 3.607 14.926 -2.714 1.00 0.00 N ATOM 1174 CA LYS A 80 2.779 16.022 -3.189 1.00 0.00 C ATOM 1175 C LYS A 80 2.415 15.782 -4.655 1.00 0.00 C ATOM 1176 O LYS A 80 3.258 15.364 -5.447 1.00 0.00 O ATOM 1177 CB LYS A 80 3.472 17.363 -2.939 1.00 0.00 C ATOM 1178 CG LYS A 80 3.085 17.934 -1.573 1.00 0.00 C ATOM 1179 CD LYS A 80 4.252 17.839 -0.588 1.00 0.00 C ATOM 1180 CE LYS A 80 4.659 19.225 -0.085 1.00 0.00 C ATOM 1181 NZ LYS A 80 5.856 19.708 -0.808 1.00 0.00 N ATOM 0 H LYS A 80 4.196 14.496 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 80 1.844 16.063 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.553 17.233 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.199 18.069 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.781 18.975 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.226 17.391 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.970 17.210 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.103 17.359 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.835 19.925 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.865 19.184 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.199 20.584 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.602 18.984 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.610 19.895 -1.801 1.00 0.00 H new ATOM 1195 N GLY A 81 1.158 16.056 -4.972 1.00 0.00 N ATOM 1196 CA GLY A 81 0.672 15.875 -6.329 1.00 0.00 C ATOM 1197 C GLY A 81 1.567 16.604 -7.334 1.00 0.00 C ATOM 1198 O GLY A 81 2.419 15.987 -7.973 1.00 0.00 O ATOM 0 H GLY A 81 0.461 16.402 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.640 14.812 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.349 16.250 -6.407 1.00 0.00 H new ATOM 1202 N SER A 82 1.343 17.905 -7.442 1.00 0.00 N ATOM 1203 CA SER A 82 2.119 18.724 -8.359 1.00 0.00 C ATOM 1204 C SER A 82 1.795 18.342 -9.804 1.00 0.00 C ATOM 1205 O SER A 82 1.025 19.028 -10.474 1.00 0.00 O ATOM 1206 CB SER A 82 3.619 18.577 -8.094 1.00 0.00 C ATOM 1207 OG SER A 82 4.181 19.762 -7.537 1.00 0.00 O ATOM 0 H SER A 82 0.636 18.413 -6.910 1.00 0.00 H new ATOM 0 HA SER A 82 1.850 19.768 -8.197 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.787 17.742 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.130 18.337 -9.026 1.00 0.00 H new ATOM 0 HG SER A 82 5.139 19.628 -7.381 1.00 0.00 H new ATOM 1213 N LYS A 83 2.401 17.248 -10.243 1.00 0.00 N ATOM 1214 CA LYS A 83 2.187 16.766 -11.597 1.00 0.00 C ATOM 1215 C LYS A 83 2.088 15.239 -11.581 1.00 0.00 C ATOM 1216 O LYS A 83 3.105 14.548 -11.589 1.00 0.00 O ATOM 1217 CB LYS A 83 3.271 17.302 -12.534 1.00 0.00 C ATOM 1218 CG LYS A 83 2.687 18.308 -13.529 1.00 0.00 C ATOM 1219 CD LYS A 83 3.699 18.644 -14.626 1.00 0.00 C ATOM 1220 CE LYS A 83 3.112 19.641 -15.626 1.00 0.00 C ATOM 1221 NZ LYS A 83 4.183 20.231 -16.460 1.00 0.00 N ATOM 0 H LYS A 83 3.040 16.682 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 83 1.243 17.143 -11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.059 17.778 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.731 16.475 -13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.782 17.898 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.398 19.219 -13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.601 19.061 -14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.993 17.732 -15.146 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.382 19.140 -16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.582 20.430 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.767 20.906 -17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.865 20.726 -15.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.671 19.476 -16.983 1.00 0.00 H new ATOM 1235 N LYS A 84 0.854 14.758 -11.558 1.00 0.00 N ATOM 1236 CA LYS A 84 0.609 13.326 -11.540 1.00 0.00 C ATOM 1237 C LYS A 84 1.719 12.633 -10.748 1.00 0.00 C ATOM 1238 O LYS A 84 2.732 12.228 -11.317 1.00 0.00 O ATOM 1239 CB LYS A 84 0.445 12.793 -12.965 1.00 0.00 C ATOM 1240 CG LYS A 84 1.785 12.779 -13.703 1.00 0.00 C ATOM 1241 CD LYS A 84 1.577 12.798 -15.219 1.00 0.00 C ATOM 1242 CE LYS A 84 1.467 11.376 -15.774 1.00 0.00 C ATOM 1243 NZ LYS A 84 0.055 10.932 -15.784 1.00 0.00 N ATOM 0 H LYS A 84 0.013 15.335 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.330 13.106 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.032 11.785 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.267 13.413 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.378 13.643 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.350 11.891 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.673 13.357 -15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.408 13.316 -15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.873 11.341 -16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.064 10.695 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.001 9.940 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.500 11.526 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.329 11.018 -16.747 1.00 0.00 H new ATOM 1257 N LEU A 85 1.492 12.517 -9.448 1.00 0.00 N ATOM 1258 CA LEU A 85 2.460 11.880 -8.572 1.00 0.00 C ATOM 1259 C LEU A 85 2.374 10.362 -8.743 1.00 0.00 C ATOM 1260 O LEU A 85 1.316 9.830 -9.076 1.00 0.00 O ATOM 1261 CB LEU A 85 2.267 12.349 -7.129 1.00 0.00 C ATOM 1262 CG LEU A 85 3.055 11.583 -6.064 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.551 11.585 -6.382 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.765 12.133 -4.666 1.00 0.00 C ATOM 0 H LEU A 85 0.651 12.854 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 85 3.473 12.175 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.543 13.402 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.207 12.284 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 85 2.725 10.544 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.088 11.034 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.718 11.110 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.915 12.612 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.337 11.571 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.050 13.184 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.701 12.036 -4.450 1.00 0.00 H new ATOM 1276 N VAL A 86 3.502 9.707 -8.507 1.00 0.00 N ATOM 1277 CA VAL A 86 3.567 8.261 -8.630 1.00 0.00 C ATOM 1278 C VAL A 86 4.084 7.665 -7.320 1.00 0.00 C ATOM 1279 O VAL A 86 5.284 7.690 -7.052 1.00 0.00 O ATOM 1280 CB VAL A 86 4.422 7.877 -9.840 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.760 6.385 -9.821 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.729 8.265 -11.147 1.00 0.00 C ATOM 0 H VAL A 86 4.378 10.151 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 86 2.574 7.847 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 86 5.357 8.434 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.368 6.139 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.314 6.149 -8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.839 5.803 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.358 7.981 -11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.772 7.749 -11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.563 9.342 -11.165 1.00 0.00 H new ATOM 1292 N LEU A 87 3.151 7.141 -6.537 1.00 0.00 N ATOM 1293 CA LEU A 87 3.497 6.540 -5.260 1.00 0.00 C ATOM 1294 C LEU A 87 4.074 5.143 -5.500 1.00 0.00 C ATOM 1295 O LEU A 87 3.396 4.272 -6.044 1.00 0.00 O ATOM 1296 CB LEU A 87 2.293 6.555 -4.317 1.00 0.00 C ATOM 1297 CG LEU A 87 1.658 7.923 -4.061 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.700 8.925 -3.560 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.927 8.430 -5.306 1.00 0.00 C ATOM 0 H LEU A 87 2.156 7.120 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 87 4.270 7.124 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.529 5.893 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.601 6.135 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 87 0.913 7.812 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.223 9.889 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.136 8.562 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.485 9.038 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.485 9.404 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.634 8.522 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.141 7.726 -5.579 1.00 0.00 H new ATOM 1311 N SER A 88 5.319 4.972 -5.081 1.00 0.00 N ATOM 1312 CA SER A 88 5.994 3.695 -5.243 1.00 0.00 C ATOM 1313 C SER A 88 5.822 2.848 -3.981 1.00 0.00 C ATOM 1314 O SER A 88 6.416 3.143 -2.945 1.00 0.00 O ATOM 1315 CB SER A 88 7.480 3.893 -5.551 1.00 0.00 C ATOM 1316 OG SER A 88 7.753 3.805 -6.947 1.00 0.00 O ATOM 0 H SER A 88 5.878 5.696 -4.630 1.00 0.00 H new ATOM 0 HA SER A 88 5.542 3.174 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.800 4.866 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.064 3.141 -5.020 1.00 0.00 H new ATOM 0 HG SER A 88 8.662 3.463 -7.082 1.00 0.00 H new ATOM 1322 N VAL A 89 5.006 1.812 -4.109 1.00 0.00 N ATOM 1323 CA VAL A 89 4.748 0.920 -2.991 1.00 0.00 C ATOM 1324 C VAL A 89 5.102 -0.512 -3.395 1.00 0.00 C ATOM 1325 O VAL A 89 4.801 -0.939 -4.509 1.00 0.00 O ATOM 1326 CB VAL A 89 3.297 1.069 -2.527 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.193 2.055 -1.362 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.392 1.492 -3.686 1.00 0.00 C ATOM 0 H VAL A 89 4.515 1.570 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 89 5.376 1.182 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 89 2.956 0.096 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.152 2.143 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.792 1.695 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.561 3.031 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.367 1.591 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.732 2.449 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.432 0.738 -4.472 1.00 0.00 H new ATOM 1338 N TYR A 90 5.737 -1.214 -2.468 1.00 0.00 N ATOM 1339 CA TYR A 90 6.136 -2.590 -2.714 1.00 0.00 C ATOM 1340 C TYR A 90 5.112 -3.569 -2.135 1.00 0.00 C ATOM 1341 O TYR A 90 4.880 -3.588 -0.927 1.00 0.00 O ATOM 1342 CB TYR A 90 7.470 -2.778 -1.989 1.00 0.00 C ATOM 1343 CG TYR A 90 7.764 -4.226 -1.593 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.969 -5.180 -2.569 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.825 -4.578 -0.260 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.246 -6.543 -2.196 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.102 -5.941 0.113 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.299 -6.857 -0.873 1.00 0.00 C ATOM 1349 OH TYR A 90 8.561 -8.144 -0.521 1.00 0.00 O ATOM 0 H TYR A 90 5.985 -0.856 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 90 6.211 -2.783 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.274 -2.417 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.475 -2.159 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.922 -4.904 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.665 -3.831 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.408 -7.299 -2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.152 -6.230 1.153 1.00 0.00 H new ATOM 0 HH TYR A 90 8.569 -8.221 0.456 1.00 0.00 H new ATOM 1359 N SER A 91 4.528 -4.359 -3.024 1.00 0.00 N ATOM 1360 CA SER A 91 3.535 -5.338 -2.616 1.00 0.00 C ATOM 1361 C SER A 91 4.175 -6.725 -2.523 1.00 0.00 C ATOM 1362 O SER A 91 4.896 -7.142 -3.428 1.00 0.00 O ATOM 1363 CB SER A 91 2.354 -5.363 -3.589 1.00 0.00 C ATOM 1364 OG SER A 91 1.355 -6.299 -3.192 1.00 0.00 O ATOM 0 H SER A 91 4.723 -4.341 -4.025 1.00 0.00 H new ATOM 0 HA SER A 91 3.157 -5.053 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.914 -4.368 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.712 -5.616 -4.587 1.00 0.00 H new ATOM 0 HG SER A 91 0.618 -6.284 -3.837 1.00 0.00 H new ATOM 1370 N ALA A 92 3.888 -7.401 -1.420 1.00 0.00 N ATOM 1371 CA ALA A 92 4.426 -8.732 -1.197 1.00 0.00 C ATOM 1372 C ALA A 92 3.396 -9.574 -0.442 1.00 0.00 C ATOM 1373 O ALA A 92 2.324 -9.083 -0.092 1.00 0.00 O ATOM 1374 CB ALA A 92 5.755 -8.626 -0.446 1.00 0.00 C ATOM 0 H ALA A 92 3.290 -7.052 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 92 4.626 -9.229 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.159 -9.624 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.461 -8.043 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.593 -8.135 0.513 1.00 0.00 H new ATOM 1380 N GLY A 93 3.758 -10.828 -0.213 1.00 0.00 N ATOM 1381 CA GLY A 93 2.878 -11.743 0.494 1.00 0.00 C ATOM 1382 C GLY A 93 2.333 -11.103 1.772 1.00 0.00 C ATOM 1383 O GLY A 93 3.033 -11.029 2.781 1.00 0.00 O ATOM 0 H GLY A 93 4.648 -11.232 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.050 -12.031 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.420 -12.655 0.743 1.00 0.00 H new ATOM 1387 N ARG A 94 1.089 -10.656 1.688 1.00 0.00 N ATOM 1388 CA ARG A 94 0.442 -10.024 2.826 1.00 0.00 C ATOM 1389 C ARG A 94 -1.029 -9.746 2.513 1.00 0.00 C ATOM 1390 O ARG A 94 -1.356 -9.250 1.435 1.00 0.00 O ATOM 1391 CB ARG A 94 1.135 -8.711 3.194 1.00 0.00 C ATOM 1392 CG ARG A 94 0.489 -8.076 4.426 1.00 0.00 C ATOM 1393 CD ARG A 94 1.414 -8.171 5.641 1.00 0.00 C ATOM 1394 NE ARG A 94 0.614 -8.199 6.886 1.00 0.00 N ATOM 1395 CZ ARG A 94 -0.149 -9.233 7.265 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -0.220 -10.330 6.499 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -0.840 -9.171 8.411 1.00 0.00 N ATOM 0 H ARG A 94 0.511 -10.719 0.850 1.00 0.00 H new ATOM 0 HA ARG A 94 0.514 -10.709 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.192 -8.895 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.081 -8.019 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.258 -7.031 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.455 -8.575 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.027 -9.070 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.096 -7.321 5.656 1.00 0.00 H new ATOM 0 HE ARG A 94 0.646 -7.380 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.307 -10.378 5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.801 -11.117 6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.785 -8.337 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.421 -9.958 8.699 1.00 0.00 H new ATOM 1411 N ILE A 95 -1.879 -10.077 3.474 1.00 0.00 N ATOM 1412 CA ILE A 95 -3.308 -9.869 3.315 1.00 0.00 C ATOM 1413 C ILE A 95 -3.887 -9.319 4.619 1.00 0.00 C ATOM 1414 O ILE A 95 -3.423 -9.666 5.704 1.00 0.00 O ATOM 1415 CB ILE A 95 -3.986 -11.154 2.835 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -5.418 -10.879 2.372 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -3.930 -12.239 3.912 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -5.767 -11.716 1.140 1.00 0.00 C ATOM 0 H ILE A 95 -1.605 -10.488 4.366 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.501 -9.126 2.542 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.435 -11.528 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.115 -11.106 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.532 -9.820 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.419 -13.141 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.890 -12.461 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.441 -11.888 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.790 -11.501 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.084 -11.469 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.676 -12.775 1.382 1.00 0.00 H new ATOM 1430 N SER A 96 -4.894 -8.470 4.470 1.00 0.00 N ATOM 1431 CA SER A 96 -5.541 -7.867 5.623 1.00 0.00 C ATOM 1432 C SER A 96 -6.688 -6.963 5.166 1.00 0.00 C ATOM 1433 O SER A 96 -6.637 -6.393 4.078 1.00 0.00 O ATOM 1434 CB SER A 96 -4.541 -7.072 6.464 1.00 0.00 C ATOM 1435 OG SER A 96 -3.838 -6.107 5.686 1.00 0.00 O ATOM 0 H SER A 96 -5.277 -8.186 3.569 1.00 0.00 H new ATOM 0 HA SER A 96 -5.943 -8.666 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.068 -6.570 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.828 -7.757 6.923 1.00 0.00 H new ATOM 0 HG SER A 96 -3.210 -5.619 6.259 1.00 0.00 H new ATOM 1441 N GLY A 97 -7.695 -6.861 6.021 1.00 0.00 N ATOM 1442 CA GLY A 97 -8.852 -6.036 5.719 1.00 0.00 C ATOM 1443 C GLY A 97 -9.817 -6.767 4.783 1.00 0.00 C ATOM 1444 O GLY A 97 -9.404 -7.625 4.006 1.00 0.00 O ATOM 0 H GLY A 97 -7.733 -7.336 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.366 -5.772 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.528 -5.104 5.257 1.00 0.00 H new ATOM 1448 N PRO A 98 -11.120 -6.390 4.893 1.00 0.00 N ATOM 1449 CA PRO A 98 -12.147 -7.000 4.066 1.00 0.00 C ATOM 1450 C PRO A 98 -12.080 -6.475 2.631 1.00 0.00 C ATOM 1451 O PRO A 98 -11.188 -5.698 2.291 1.00 0.00 O ATOM 1452 CB PRO A 98 -13.458 -6.668 4.759 1.00 0.00 C ATOM 1453 CG PRO A 98 -13.157 -5.500 5.684 1.00 0.00 C ATOM 1454 CD PRO A 98 -11.646 -5.377 5.803 1.00 0.00 C ATOM 0 HA PRO A 98 -12.024 -8.079 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -14.227 -6.403 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -13.831 -7.525 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -13.585 -4.579 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -13.605 -5.664 6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -11.307 -4.379 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.314 -5.553 6.826 1.00 0.00 H new ATOM 1462 N SER A 99 -13.034 -6.920 1.826 1.00 0.00 N ATOM 1463 CA SER A 99 -13.094 -6.504 0.435 1.00 0.00 C ATOM 1464 C SER A 99 -14.534 -6.589 -0.075 1.00 0.00 C ATOM 1465 O SER A 99 -15.324 -7.393 0.418 1.00 0.00 O ATOM 1466 CB SER A 99 -12.171 -7.359 -0.436 1.00 0.00 C ATOM 1467 OG SER A 99 -10.825 -6.893 -0.404 1.00 0.00 O ATOM 0 H SER A 99 -13.772 -7.564 2.111 1.00 0.00 H new ATOM 0 HA SER A 99 -12.753 -5.470 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.205 -8.393 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.533 -7.351 -1.464 1.00 0.00 H new ATOM 0 HG SER A 99 -10.666 -6.410 0.434 1.00 0.00 H new ATOM 1473 N SER A 100 -14.831 -5.749 -1.055 1.00 0.00 N ATOM 1474 CA SER A 100 -16.162 -5.719 -1.637 1.00 0.00 C ATOM 1475 C SER A 100 -16.118 -6.244 -3.073 1.00 0.00 C ATOM 1476 O SER A 100 -15.595 -5.578 -3.966 1.00 0.00 O ATOM 1477 CB SER A 100 -16.745 -4.305 -1.607 1.00 0.00 C ATOM 1478 OG SER A 100 -15.845 -3.345 -2.154 1.00 0.00 O ATOM 0 H SER A 100 -14.173 -5.084 -1.461 1.00 0.00 H new ATOM 0 HA SER A 100 -16.809 -6.363 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 100 -17.680 -4.286 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.984 -4.033 -0.579 1.00 0.00 H new ATOM 0 HG SER A 100 -15.420 -3.715 -2.956 1.00 0.00 H new ATOM 1484 N GLY A 101 -16.672 -7.434 -3.252 1.00 0.00 N ATOM 1485 CA GLY A 101 -16.702 -8.056 -4.565 1.00 0.00 C ATOM 1486 C GLY A 101 -16.267 -9.521 -4.488 1.00 0.00 C ATOM 1487 O GLY A 101 -15.108 -9.842 -4.747 1.00 0.00 O ATOM 0 H GLY A 101 -17.104 -7.984 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.709 -7.993 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -16.044 -7.513 -5.244 1.00 0.00 H new TER 1491 GLY A 101