USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 26 HIS : no HD1:sc= 0.0129 K(o=0.23,f=-11!) USER MOD Set 2.2: A 55 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 114:sc= -1.94 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 13 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.83) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.154) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= -0.165 (180deg=-1.34!) USER MOD Single : A 20 SER OG : rot -178:sc= -1.11 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 27 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-0.99) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -7.01! C(o=-7!,f=-7!) USER MOD Single : A 49 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.6!) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 63 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.59) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0695 (180deg=-0.741) USER MOD Single : A 73 THR OG1 : rot -40:sc= 1.15 USER MOD Single : A 74 TYR OH : rot 70:sc= -1.32 USER MOD Single : A 80 HIS : no HD1:sc= -4.43 K(o=-4.4,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.005 0.520 43.102 1.00 0.00 N ATOM 2 CA ASP A 1 -0.935 -0.544 43.551 1.00 0.00 C ATOM 3 C ASP A 1 -2.301 -0.329 42.893 1.00 0.00 C ATOM 4 O ASP A 1 -3.056 0.541 43.284 1.00 0.00 O ATOM 5 CB ASP A 1 -1.088 -0.482 45.073 1.00 0.00 C ATOM 6 CG ASP A 1 -1.736 -1.774 45.575 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.097 -2.809 45.481 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.859 -1.705 46.044 1.00 0.00 O ATOM 0 H1 ASP A 1 0.933 0.375 43.549 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.108 0.478 42.068 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.369 1.451 43.375 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.542 -1.520 43.265 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.113 -0.346 45.542 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.699 0.376 45.353 1.00 0.00 H new ATOM 9 N LYS A 2 -2.619 -1.118 41.899 1.00 0.00 N ATOM 10 CA LYS A 2 -3.933 -0.968 41.208 1.00 0.00 C ATOM 11 C LYS A 2 -4.416 -2.339 40.728 1.00 0.00 C ATOM 12 O LYS A 2 -4.065 -2.786 39.653 1.00 0.00 O ATOM 13 CB LYS A 2 -3.775 -0.033 40.007 1.00 0.00 C ATOM 14 CG LYS A 2 -4.096 1.402 40.430 1.00 0.00 C ATOM 15 CD LYS A 2 -3.605 2.373 39.355 1.00 0.00 C ATOM 16 CE LYS A 2 -4.483 3.625 39.359 1.00 0.00 C ATOM 17 NZ LYS A 2 -3.691 4.789 38.869 1.00 0.00 N ATOM 0 H LYS A 2 -2.023 -1.862 41.536 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.662 -0.548 41.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.758 -0.090 39.620 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.440 -0.343 39.201 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.170 1.518 40.576 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.618 1.627 41.384 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.566 2.644 39.542 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.639 1.895 38.376 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.356 3.472 38.724 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.852 3.820 40.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.288 5.641 38.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.872 4.938 39.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.360 4.601 37.901 1.00 0.00 H new ATOM 18 N ASP A 3 -5.219 -3.005 41.519 1.00 0.00 N ATOM 19 CA ASP A 3 -5.730 -4.347 41.118 1.00 0.00 C ATOM 20 C ASP A 3 -7.174 -4.217 40.627 1.00 0.00 C ATOM 21 O ASP A 3 -7.847 -3.245 40.908 1.00 0.00 O ATOM 22 CB ASP A 3 -5.684 -5.291 42.322 1.00 0.00 C ATOM 23 CG ASP A 3 -5.827 -6.737 41.844 1.00 0.00 C ATOM 24 OD1 ASP A 3 -6.951 -7.198 41.737 1.00 0.00 O ATOM 25 OD2 ASP A 3 -4.808 -7.359 41.592 1.00 0.00 O ATOM 0 H ASP A 3 -5.543 -2.674 42.428 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.108 -4.748 40.318 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.744 -5.166 42.860 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.485 -5.047 43.020 1.00 0.00 H new ATOM 26 N VAL A 4 -7.649 -5.193 39.895 1.00 0.00 N ATOM 27 CA VAL A 4 -9.049 -5.135 39.380 1.00 0.00 C ATOM 28 C VAL A 4 -10.022 -5.484 40.516 1.00 0.00 C ATOM 29 O VAL A 4 -10.262 -6.641 40.804 1.00 0.00 O ATOM 30 CB VAL A 4 -9.201 -6.134 38.209 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.678 -6.346 37.851 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.485 -5.580 36.979 1.00 0.00 C ATOM 0 H VAL A 4 -7.126 -6.028 39.632 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.276 -4.132 39.020 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.769 -7.086 38.517 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.754 -7.053 37.025 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.209 -6.741 38.717 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.121 -5.395 37.557 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.589 -6.281 36.151 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.926 -4.622 36.702 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.428 -5.441 37.205 1.00 0.00 H new ATOM 33 N LYS A 5 -10.599 -4.488 41.136 1.00 0.00 N ATOM 34 CA LYS A 5 -11.580 -4.751 42.226 1.00 0.00 C ATOM 35 C LYS A 5 -12.946 -4.988 41.581 1.00 0.00 C ATOM 36 O LYS A 5 -13.481 -4.121 40.919 1.00 0.00 O ATOM 37 CB LYS A 5 -11.652 -3.540 43.159 1.00 0.00 C ATOM 38 CG LYS A 5 -10.747 -3.776 44.371 1.00 0.00 C ATOM 39 CD LYS A 5 -10.720 -2.517 45.240 1.00 0.00 C ATOM 40 CE LYS A 5 -11.945 -2.505 46.158 1.00 0.00 C ATOM 41 NZ LYS A 5 -11.802 -1.411 47.160 1.00 0.00 N ATOM 0 H LYS A 5 -10.432 -3.503 40.933 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.278 -5.621 42.808 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.341 -2.640 42.629 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.680 -3.379 43.485 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.112 -4.624 44.951 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.738 -4.025 44.042 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.807 -2.492 45.834 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.715 -1.627 44.610 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.852 -2.359 45.571 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.044 -3.466 46.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.634 -1.401 47.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.945 -1.570 47.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.728 -0.498 46.668 1.00 0.00 H new ATOM 42 N TYR A 6 -13.505 -6.157 41.750 1.00 0.00 N ATOM 43 CA TYR A 6 -14.829 -6.450 41.123 1.00 0.00 C ATOM 44 C TYR A 6 -15.943 -5.817 41.954 1.00 0.00 C ATOM 45 O TYR A 6 -15.855 -5.723 43.163 1.00 0.00 O ATOM 46 CB TYR A 6 -15.042 -7.961 41.044 1.00 0.00 C ATOM 47 CG TYR A 6 -13.856 -8.604 40.361 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.848 -8.757 38.968 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.761 -9.040 41.117 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.746 -9.347 38.334 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.661 -9.630 40.483 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.654 -9.784 39.092 1.00 0.00 C ATOM 53 OH TYR A 6 -10.570 -10.365 38.466 1.00 0.00 O ATOM 0 H TYR A 6 -13.104 -6.921 42.294 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.848 -6.033 40.116 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.166 -8.374 42.045 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -15.956 -8.182 40.493 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.691 -8.420 38.383 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.765 -8.921 42.190 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.740 -9.464 37.260 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -10.818 -9.966 41.068 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.898 -10.611 39.136 1.00 0.00 H new ATOM 54 N TYR A 7 -16.986 -5.374 41.303 1.00 0.00 N ATOM 55 CA TYR A 7 -18.117 -4.729 42.035 1.00 0.00 C ATOM 56 C TYR A 7 -19.420 -5.442 41.664 1.00 0.00 C ATOM 57 O TYR A 7 -19.631 -5.811 40.525 1.00 0.00 O ATOM 58 CB TYR A 7 -18.222 -3.242 41.649 1.00 0.00 C ATOM 59 CG TYR A 7 -16.836 -2.630 41.526 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.152 -2.194 42.667 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.239 -2.510 40.265 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.872 -1.639 42.545 1.00 0.00 C ATOM 63 CE2 TYR A 7 -14.960 -1.956 40.144 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.276 -1.520 41.285 1.00 0.00 C ATOM 65 OH TYR A 7 -13.013 -0.974 41.166 1.00 0.00 O ATOM 0 H TYR A 7 -17.104 -5.431 40.291 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.940 -4.803 43.108 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.757 -3.141 40.704 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.799 -2.704 42.401 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.611 -2.286 43.640 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.767 -2.846 39.384 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.344 -1.302 43.425 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.501 -1.865 39.171 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.388 -1.660 40.851 1.00 0.00 H new ATOM 66 N THR A 8 -20.291 -5.644 42.622 1.00 0.00 N ATOM 67 CA THR A 8 -21.582 -6.339 42.337 1.00 0.00 C ATOM 68 C THR A 8 -22.386 -5.549 41.301 1.00 0.00 C ATOM 69 O THR A 8 -22.326 -4.335 41.248 1.00 0.00 O ATOM 70 CB THR A 8 -22.391 -6.457 43.630 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.356 -5.216 44.321 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.795 -7.554 44.511 1.00 0.00 C ATOM 0 H THR A 8 -20.162 -5.356 43.592 1.00 0.00 H new ATOM 0 HA THR A 8 -21.373 -7.333 41.942 1.00 0.00 H new ATOM 0 HB THR A 8 -23.424 -6.712 43.392 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.875 -5.288 45.149 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.373 -7.636 45.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.824 -8.505 43.978 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.762 -7.305 44.753 1.00 0.00 H new ATOM 73 N LEU A 9 -23.139 -6.237 40.480 1.00 0.00 N ATOM 74 CA LEU A 9 -23.956 -5.543 39.441 1.00 0.00 C ATOM 75 C LEU A 9 -25.042 -4.707 40.121 1.00 0.00 C ATOM 76 O LEU A 9 -25.473 -3.697 39.601 1.00 0.00 O ATOM 77 CB LEU A 9 -24.620 -6.575 38.521 1.00 0.00 C ATOM 78 CG LEU A 9 -23.582 -7.605 38.048 1.00 0.00 C ATOM 79 CD1 LEU A 9 -23.765 -8.913 38.820 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.768 -7.872 36.550 1.00 0.00 C ATOM 0 H LEU A 9 -23.223 -7.254 40.486 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.306 -4.897 38.851 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.429 -7.079 39.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.065 -6.074 37.661 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.581 -7.213 38.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.028 -9.641 38.482 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.631 -8.728 39.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -24.767 -9.303 38.643 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.031 -8.603 36.216 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.771 -8.260 36.371 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -23.635 -6.943 35.996 1.00 0.00 H new ATOM 81 N GLU A 10 -25.489 -5.123 41.279 1.00 0.00 N ATOM 82 CA GLU A 10 -26.552 -4.361 41.997 1.00 0.00 C ATOM 83 C GLU A 10 -26.046 -2.957 42.346 1.00 0.00 C ATOM 84 O GLU A 10 -26.826 -2.041 42.533 1.00 0.00 O ATOM 85 CB GLU A 10 -26.926 -5.099 43.284 1.00 0.00 C ATOM 86 CG GLU A 10 -27.885 -6.243 42.956 1.00 0.00 C ATOM 87 CD GLU A 10 -28.512 -6.772 44.249 1.00 0.00 C ATOM 88 OE1 GLU A 10 -27.820 -7.455 44.984 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.675 -6.481 44.481 1.00 0.00 O ATOM 0 H GLU A 10 -25.161 -5.961 41.759 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.427 -4.277 41.353 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.029 -5.489 43.766 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.392 -4.410 43.988 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.664 -5.895 42.278 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.351 -7.044 42.444 1.00 0.00 H new ATOM 90 N GLU A 11 -24.750 -2.780 42.444 1.00 0.00 N ATOM 91 CA GLU A 11 -24.198 -1.436 42.790 1.00 0.00 C ATOM 92 C GLU A 11 -23.942 -0.628 41.514 1.00 0.00 C ATOM 93 O GLU A 11 -24.034 0.585 41.514 1.00 0.00 O ATOM 94 CB GLU A 11 -22.882 -1.611 43.552 1.00 0.00 C ATOM 95 CG GLU A 11 -22.573 -0.332 44.334 1.00 0.00 C ATOM 96 CD GLU A 11 -23.187 -0.427 45.732 1.00 0.00 C ATOM 97 OE1 GLU A 11 -23.141 -1.502 46.307 1.00 0.00 O ATOM 98 OE2 GLU A 11 -23.695 0.576 46.204 1.00 0.00 O ATOM 0 H GLU A 11 -24.052 -3.510 42.299 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.918 -0.903 43.411 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.954 -2.459 44.234 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.072 -1.829 42.856 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.495 -0.190 44.408 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.973 0.534 43.808 1.00 0.00 H new ATOM 99 N ILE A 12 -23.614 -1.287 40.432 1.00 0.00 N ATOM 100 CA ILE A 12 -23.344 -0.555 39.156 1.00 0.00 C ATOM 101 C ILE A 12 -24.647 0.048 38.620 1.00 0.00 C ATOM 102 O ILE A 12 -24.737 1.238 38.386 1.00 0.00 O ATOM 103 CB ILE A 12 -22.760 -1.520 38.121 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.525 -2.212 38.704 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.360 -0.744 36.864 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.036 -3.290 37.736 1.00 0.00 C ATOM 0 H ILE A 12 -23.521 -2.301 40.376 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.629 0.245 39.346 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.510 -2.268 37.864 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.735 -1.481 38.880 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.767 -2.658 39.669 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.944 -1.432 36.128 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.238 -0.252 36.445 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.612 0.006 37.122 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.157 -3.781 38.153 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.825 -4.026 37.583 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.777 -2.832 36.782 1.00 0.00 H new ATOM 107 N GLN A 13 -25.649 -0.768 38.419 1.00 0.00 N ATOM 108 CA GLN A 13 -26.949 -0.255 37.890 1.00 0.00 C ATOM 109 C GLN A 13 -27.569 0.737 38.883 1.00 0.00 C ATOM 110 O GLN A 13 -28.350 1.590 38.510 1.00 0.00 O ATOM 111 CB GLN A 13 -27.911 -1.427 37.673 1.00 0.00 C ATOM 112 CG GLN A 13 -28.089 -2.203 38.982 1.00 0.00 C ATOM 113 CD GLN A 13 -28.233 -3.696 38.678 1.00 0.00 C ATOM 114 OE1 GLN A 13 -29.153 -4.337 39.145 1.00 0.00 O ATOM 115 NE2 GLN A 13 -27.353 -4.280 37.911 1.00 0.00 N ATOM 0 H GLN A 13 -25.623 -1.772 38.599 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.770 0.254 36.943 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -28.876 -1.058 37.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -27.524 -2.088 36.898 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -27.233 -2.035 39.635 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -28.970 -1.843 39.513 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.581 -3.741 37.519 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -27.438 -5.275 37.704 1.00 0.00 H new ATOM 116 N LYS A 14 -27.228 0.630 40.147 1.00 0.00 N ATOM 117 CA LYS A 14 -27.800 1.563 41.167 1.00 0.00 C ATOM 118 C LYS A 14 -27.453 3.008 40.798 1.00 0.00 C ATOM 119 O LYS A 14 -28.204 3.926 41.072 1.00 0.00 O ATOM 120 CB LYS A 14 -27.212 1.235 42.542 1.00 0.00 C ATOM 121 CG LYS A 14 -28.269 1.477 43.621 1.00 0.00 C ATOM 122 CD LYS A 14 -27.621 1.379 45.003 1.00 0.00 C ATOM 123 CE LYS A 14 -28.455 2.163 46.019 1.00 0.00 C ATOM 124 NZ LYS A 14 -29.401 1.239 46.705 1.00 0.00 N ATOM 0 H LYS A 14 -26.578 -0.064 40.515 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.884 1.448 41.194 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.881 0.197 42.569 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.335 1.855 42.731 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -28.720 2.460 43.488 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -29.070 0.744 43.531 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.546 0.335 45.307 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.606 1.774 44.968 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.802 2.641 46.750 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.006 2.958 45.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.968 1.772 47.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -30.032 0.803 46.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.865 0.496 47.197 1.00 0.00 H new ATOM 125 N HIS A 15 -26.322 3.213 40.175 1.00 0.00 N ATOM 126 CA HIS A 15 -25.915 4.592 39.779 1.00 0.00 C ATOM 127 C HIS A 15 -26.649 4.983 38.495 1.00 0.00 C ATOM 128 O HIS A 15 -26.570 4.295 37.495 1.00 0.00 O ATOM 129 CB HIS A 15 -24.404 4.626 39.531 1.00 0.00 C ATOM 130 CG HIS A 15 -23.667 4.285 40.798 1.00 0.00 C ATOM 131 ND1 HIS A 15 -22.489 4.919 41.159 1.00 0.00 N ATOM 132 CD2 HIS A 15 -23.920 3.372 41.795 1.00 0.00 C ATOM 133 CE1 HIS A 15 -22.081 4.388 42.325 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.917 3.441 42.758 1.00 0.00 N ATOM 0 H HIS A 15 -25.660 2.480 39.922 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.168 5.292 40.575 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.140 3.918 38.745 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.106 5.615 39.182 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -24.768 2.703 41.826 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.186 4.691 42.848 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -22.838 2.887 43.611 1.00 0.00 H new ATOM 135 N LYS A 16 -27.360 6.082 38.515 1.00 0.00 N ATOM 136 CA LYS A 16 -28.103 6.520 37.296 1.00 0.00 C ATOM 137 C LYS A 16 -27.426 7.758 36.701 1.00 0.00 C ATOM 138 O LYS A 16 -26.838 7.700 35.637 1.00 0.00 O ATOM 139 CB LYS A 16 -29.550 6.853 37.671 1.00 0.00 C ATOM 140 CG LYS A 16 -30.487 6.404 36.546 1.00 0.00 C ATOM 141 CD LYS A 16 -30.642 7.534 35.527 1.00 0.00 C ATOM 142 CE LYS A 16 -32.049 7.493 34.927 1.00 0.00 C ATOM 143 NZ LYS A 16 -32.255 6.189 34.233 1.00 0.00 N ATOM 0 H LYS A 16 -27.458 6.695 39.324 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.097 5.717 36.559 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.819 6.355 38.603 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -29.655 7.925 37.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -30.088 5.514 36.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -31.460 6.134 36.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -30.468 8.497 36.007 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.896 7.432 34.739 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -32.795 7.621 35.712 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -32.181 8.316 34.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -33.091 6.251 33.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -31.418 5.966 33.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -32.400 5.439 34.939 1.00 0.00 H new ATOM 144 N ASP A 17 -27.503 8.877 37.379 1.00 0.00 N ATOM 145 CA ASP A 17 -26.866 10.123 36.858 1.00 0.00 C ATOM 146 C ASP A 17 -27.090 11.266 37.853 1.00 0.00 C ATOM 147 O ASP A 17 -27.312 12.399 37.470 1.00 0.00 O ATOM 148 CB ASP A 17 -27.489 10.495 35.509 1.00 0.00 C ATOM 149 CG ASP A 17 -26.432 11.158 34.623 1.00 0.00 C ATOM 150 OD1 ASP A 17 -26.087 12.296 34.895 1.00 0.00 O ATOM 151 OD2 ASP A 17 -25.985 10.515 33.687 1.00 0.00 O ATOM 0 H ASP A 17 -27.982 8.980 38.274 1.00 0.00 H new ATOM 0 HA ASP A 17 -25.797 9.954 36.729 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -27.882 9.604 35.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -28.330 11.172 35.659 1.00 0.00 H new ATOM 152 N SER A 18 -27.034 10.972 39.128 1.00 0.00 N ATOM 153 CA SER A 18 -27.244 12.034 40.155 1.00 0.00 C ATOM 154 C SER A 18 -25.939 12.802 40.367 1.00 0.00 C ATOM 155 O SER A 18 -25.844 13.975 40.059 1.00 0.00 O ATOM 156 CB SER A 18 -27.674 11.388 41.472 1.00 0.00 C ATOM 157 OG SER A 18 -28.566 12.262 42.154 1.00 0.00 O ATOM 0 H SER A 18 -26.852 10.040 39.501 1.00 0.00 H new ATOM 0 HA SER A 18 -28.019 12.721 39.816 1.00 0.00 H new ATOM 0 HB2 SER A 18 -28.160 10.431 41.280 1.00 0.00 H new ATOM 0 HB3 SER A 18 -26.801 11.184 42.092 1.00 0.00 H new ATOM 0 HG SER A 18 -28.845 11.850 42.998 1.00 0.00 H new ATOM 158 N LYS A 19 -24.934 12.149 40.895 1.00 0.00 N ATOM 159 CA LYS A 19 -23.631 12.835 41.135 1.00 0.00 C ATOM 160 C LYS A 19 -22.519 12.108 40.373 1.00 0.00 C ATOM 161 O LYS A 19 -21.633 12.727 39.815 1.00 0.00 O ATOM 162 CB LYS A 19 -23.316 12.818 42.633 1.00 0.00 C ATOM 163 CG LYS A 19 -22.060 13.650 42.902 1.00 0.00 C ATOM 164 CD LYS A 19 -21.541 13.347 44.309 1.00 0.00 C ATOM 165 CE LYS A 19 -20.567 12.168 44.252 1.00 0.00 C ATOM 166 NZ LYS A 19 -21.300 10.905 44.547 1.00 0.00 N ATOM 0 H LYS A 19 -24.962 11.167 41.170 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.695 13.866 40.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.158 13.219 43.197 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -23.165 11.793 42.972 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.293 13.420 42.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.287 14.712 42.807 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.042 14.224 44.721 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.374 13.113 44.972 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.105 12.111 43.266 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.763 12.311 44.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.817 10.395 45.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.273 11.128 44.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.322 10.309 43.695 1.00 0.00 H new ATOM 167 N SER A 20 -22.560 10.800 40.351 1.00 0.00 N ATOM 168 CA SER A 20 -21.508 10.024 39.631 1.00 0.00 C ATOM 169 C SER A 20 -22.040 8.627 39.303 1.00 0.00 C ATOM 170 O SER A 20 -22.832 8.069 40.039 1.00 0.00 O ATOM 171 CB SER A 20 -20.269 9.908 40.524 1.00 0.00 C ATOM 172 OG SER A 20 -19.447 8.841 40.068 1.00 0.00 O ATOM 0 H SER A 20 -23.280 10.235 40.802 1.00 0.00 H new ATOM 0 HA SER A 20 -21.243 10.534 38.705 1.00 0.00 H new ATOM 0 HB2 SER A 20 -19.709 10.843 40.509 1.00 0.00 H new ATOM 0 HB3 SER A 20 -20.569 9.733 41.557 1.00 0.00 H new ATOM 0 HG SER A 20 -18.671 8.750 40.659 1.00 0.00 H new ATOM 173 N THR A 21 -21.606 8.057 38.205 1.00 0.00 N ATOM 174 CA THR A 21 -22.078 6.695 37.830 1.00 0.00 C ATOM 175 C THR A 21 -21.006 5.984 36.994 1.00 0.00 C ATOM 176 O THR A 21 -20.007 6.574 36.610 1.00 0.00 O ATOM 177 CB THR A 21 -23.390 6.801 37.038 1.00 0.00 C ATOM 178 OG1 THR A 21 -23.917 5.499 36.824 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.147 7.482 35.687 1.00 0.00 C ATOM 0 H THR A 21 -20.944 8.480 37.554 1.00 0.00 H new ATOM 0 HA THR A 21 -22.259 6.114 38.734 1.00 0.00 H new ATOM 0 HB THR A 21 -24.100 7.399 37.609 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.755 5.564 36.320 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.087 7.549 35.139 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.750 8.484 35.851 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.431 6.898 35.109 1.00 0.00 H new ATOM 180 N TRP A 22 -21.211 4.725 36.707 1.00 0.00 N ATOM 181 CA TRP A 22 -20.209 3.968 35.897 1.00 0.00 C ATOM 182 C TRP A 22 -20.909 3.309 34.708 1.00 0.00 C ATOM 183 O TRP A 22 -22.118 3.179 34.678 1.00 0.00 O ATOM 184 CB TRP A 22 -19.521 2.865 36.736 1.00 0.00 C ATOM 185 CG TRP A 22 -19.369 3.269 38.178 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.006 4.498 38.617 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.560 2.455 39.372 1.00 0.00 C ATOM 188 NE1 TRP A 22 -18.971 4.489 39.999 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.304 3.253 40.510 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.931 1.113 39.574 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.411 2.740 41.804 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -20.038 0.592 40.874 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.779 1.405 41.986 1.00 0.00 C ATOM 0 H TRP A 22 -22.028 4.188 36.998 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.451 4.674 35.557 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.104 1.946 36.676 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.540 2.647 36.315 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -18.780 5.347 37.989 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -18.728 5.298 40.571 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.135 0.479 38.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.211 3.371 42.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.321 -0.440 41.017 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.864 0.999 42.983 1.00 0.00 H new ATOM 194 N VAL A 23 -20.147 2.882 33.733 1.00 0.00 N ATOM 195 CA VAL A 23 -20.744 2.215 32.540 1.00 0.00 C ATOM 196 C VAL A 23 -20.067 0.857 32.346 1.00 0.00 C ATOM 197 O VAL A 23 -18.868 0.726 32.518 1.00 0.00 O ATOM 198 CB VAL A 23 -20.523 3.086 31.301 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.238 2.464 30.101 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.093 4.482 31.555 1.00 0.00 C ATOM 0 H VAL A 23 -19.131 2.968 33.714 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.815 2.076 32.688 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.455 3.154 31.094 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -21.079 3.086 29.220 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.840 1.466 29.917 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.306 2.396 30.309 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.937 5.105 30.674 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.161 4.407 31.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.588 4.931 32.411 1.00 0.00 H new ATOM 201 N ILE A 24 -20.822 -0.155 32.006 1.00 0.00 N ATOM 202 CA ILE A 24 -20.224 -1.511 31.818 1.00 0.00 C ATOM 203 C ILE A 24 -19.840 -1.722 30.352 1.00 0.00 C ATOM 204 O ILE A 24 -20.583 -1.386 29.449 1.00 0.00 O ATOM 205 CB ILE A 24 -21.239 -2.577 32.238 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.729 -2.285 33.658 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.577 -3.957 32.205 1.00 0.00 C ATOM 208 CD1 ILE A 24 -22.994 -1.426 33.594 1.00 0.00 C ATOM 0 H ILE A 24 -21.829 -0.101 31.850 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.328 -1.592 32.433 1.00 0.00 H new ATOM 0 HB ILE A 24 -22.084 -2.562 31.549 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.936 -3.218 34.182 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.953 -1.768 34.223 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -21.301 -4.715 32.504 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -20.227 -4.168 31.195 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.731 -3.971 32.893 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.344 -1.218 34.605 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.771 -0.488 33.086 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.769 -1.960 33.045 1.00 0.00 H new ATOM 209 N LEU A 25 -18.685 -2.289 30.119 1.00 0.00 N ATOM 210 CA LEU A 25 -18.231 -2.547 28.721 1.00 0.00 C ATOM 211 C LEU A 25 -17.959 -4.047 28.562 1.00 0.00 C ATOM 212 O LEU A 25 -16.889 -4.459 28.157 1.00 0.00 O ATOM 213 CB LEU A 25 -16.944 -1.758 28.447 1.00 0.00 C ATOM 214 CG LEU A 25 -17.271 -0.313 28.041 1.00 0.00 C ATOM 215 CD1 LEU A 25 -18.092 -0.302 26.742 1.00 0.00 C ATOM 216 CD2 LEU A 25 -18.062 0.376 29.162 1.00 0.00 C ATOM 0 H LEU A 25 -18.032 -2.587 30.844 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.999 -2.232 28.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.315 -1.758 29.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.375 -2.244 27.655 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.339 0.227 27.875 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.318 0.727 26.463 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.519 -0.776 25.945 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -19.022 -0.849 26.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.291 1.401 28.869 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.990 -0.167 29.339 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.467 0.384 30.075 1.00 0.00 H new ATOM 217 N HIS A 26 -18.928 -4.866 28.891 1.00 0.00 N ATOM 218 CA HIS A 26 -18.748 -6.346 28.777 1.00 0.00 C ATOM 219 C HIS A 26 -17.612 -6.795 29.702 1.00 0.00 C ATOM 220 O HIS A 26 -16.452 -6.769 29.335 1.00 0.00 O ATOM 221 CB HIS A 26 -18.409 -6.723 27.329 1.00 0.00 C ATOM 222 CG HIS A 26 -19.445 -6.145 26.402 1.00 0.00 C ATOM 223 ND1 HIS A 26 -20.338 -6.944 25.705 1.00 0.00 N ATOM 224 CD2 HIS A 26 -19.742 -4.853 26.050 1.00 0.00 C ATOM 225 CE1 HIS A 26 -21.122 -6.130 24.974 1.00 0.00 C ATOM 226 NE2 HIS A 26 -20.801 -4.844 25.147 1.00 0.00 N ATOM 0 H HIS A 26 -19.841 -4.570 29.236 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.674 -6.842 29.067 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -17.420 -6.346 27.066 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -18.376 -7.807 27.223 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -19.231 -3.975 26.418 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -21.915 -6.474 24.326 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -21.238 -4.032 24.711 1.00 0.00 H new ATOM 227 N HIS A 27 -17.943 -7.207 30.902 1.00 0.00 N ATOM 228 CA HIS A 27 -16.896 -7.664 31.867 1.00 0.00 C ATOM 229 C HIS A 27 -15.930 -6.510 32.169 1.00 0.00 C ATOM 230 O HIS A 27 -14.735 -6.613 31.954 1.00 0.00 O ATOM 231 CB HIS A 27 -16.124 -8.847 31.269 1.00 0.00 C ATOM 232 CG HIS A 27 -15.228 -9.443 32.320 1.00 0.00 C ATOM 233 ND1 HIS A 27 -13.854 -9.262 32.308 1.00 0.00 N ATOM 234 CD2 HIS A 27 -15.494 -10.219 33.421 1.00 0.00 C ATOM 235 CE1 HIS A 27 -13.350 -9.917 33.369 1.00 0.00 C ATOM 236 NE2 HIS A 27 -14.307 -10.516 34.083 1.00 0.00 N ATOM 0 H HIS A 27 -18.899 -7.246 31.256 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.374 -7.980 32.794 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.820 -9.600 30.900 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.532 -8.515 30.416 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.476 -10.549 33.727 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.299 -9.954 33.614 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -14.192 -11.071 34.931 1.00 0.00 H new ATOM 237 N LYS A 28 -16.442 -5.415 32.672 1.00 0.00 N ATOM 238 CA LYS A 28 -15.566 -4.248 32.998 1.00 0.00 C ATOM 239 C LYS A 28 -16.410 -3.136 33.623 1.00 0.00 C ATOM 240 O LYS A 28 -17.568 -2.967 33.289 1.00 0.00 O ATOM 241 CB LYS A 28 -14.912 -3.727 31.715 1.00 0.00 C ATOM 242 CG LYS A 28 -13.649 -2.939 32.070 1.00 0.00 C ATOM 243 CD LYS A 28 -12.534 -3.911 32.460 1.00 0.00 C ATOM 244 CE LYS A 28 -11.182 -3.333 32.037 1.00 0.00 C ATOM 245 NZ LYS A 28 -10.132 -3.769 33.001 1.00 0.00 N ATOM 0 H LYS A 28 -17.433 -5.278 32.872 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.794 -4.560 33.701 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.661 -4.560 31.058 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.610 -3.090 31.171 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.336 -2.331 31.221 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.854 -2.255 32.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.547 -4.083 33.536 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.695 -4.877 31.981 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.929 -3.669 31.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.233 -2.245 32.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.213 -3.376 32.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.372 -3.428 33.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.078 -4.808 33.009 1.00 0.00 H new ATOM 246 N VAL A 29 -15.836 -2.371 34.521 1.00 0.00 N ATOM 247 CA VAL A 29 -16.602 -1.262 35.162 1.00 0.00 C ATOM 248 C VAL A 29 -15.897 0.054 34.864 1.00 0.00 C ATOM 249 O VAL A 29 -14.689 0.154 34.953 1.00 0.00 O ATOM 250 CB VAL A 29 -16.686 -1.494 36.672 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.615 -0.456 37.302 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.233 -2.901 36.940 1.00 0.00 C ATOM 0 H VAL A 29 -14.871 -2.469 34.836 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.616 -1.229 34.764 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.692 -1.399 37.109 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.672 -0.624 38.377 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.226 0.544 37.111 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.610 -0.547 36.867 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.294 -3.069 38.015 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.226 -2.995 36.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.568 -3.641 36.494 1.00 0.00 H new ATOM 253 N TYR A 30 -16.642 1.050 34.463 1.00 0.00 N ATOM 254 CA TYR A 30 -16.016 2.348 34.096 1.00 0.00 C ATOM 255 C TYR A 30 -16.444 3.473 35.034 1.00 0.00 C ATOM 256 O TYR A 30 -17.482 4.072 34.839 1.00 0.00 O ATOM 257 CB TYR A 30 -16.468 2.730 32.688 1.00 0.00 C ATOM 258 CG TYR A 30 -15.704 1.953 31.657 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.710 0.555 31.673 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.999 2.638 30.667 1.00 0.00 C ATOM 261 CE1 TYR A 30 -15.009 -0.157 30.702 1.00 0.00 C ATOM 262 CE2 TYR A 30 -14.301 1.931 29.691 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.301 0.529 29.707 1.00 0.00 C ATOM 264 OH TYR A 30 -13.609 -0.174 28.741 1.00 0.00 O ATOM 0 H TYR A 30 -17.658 1.018 34.375 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.935 2.224 34.161 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.535 2.538 32.579 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.319 3.798 32.530 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.258 0.027 32.439 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.995 3.718 30.657 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.012 -1.237 30.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.760 2.462 28.922 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.055 -1.031 28.577 1.00 0.00 H new ATOM 265 N ASP A 31 -15.635 3.815 36.003 1.00 0.00 N ATOM 266 CA ASP A 31 -15.996 4.962 36.885 1.00 0.00 C ATOM 267 C ASP A 31 -15.793 6.215 36.038 1.00 0.00 C ATOM 268 O ASP A 31 -14.697 6.732 35.930 1.00 0.00 O ATOM 269 CB ASP A 31 -15.087 4.992 38.116 1.00 0.00 C ATOM 270 CG ASP A 31 -15.440 6.198 38.994 1.00 0.00 C ATOM 271 OD1 ASP A 31 -16.506 6.180 39.586 1.00 0.00 O ATOM 272 OD2 ASP A 31 -14.638 7.115 39.058 1.00 0.00 O ATOM 0 H ASP A 31 -14.750 3.355 36.219 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.021 4.886 37.247 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.201 4.070 38.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.043 5.049 37.807 1.00 0.00 H new ATOM 273 N LEU A 32 -16.833 6.667 35.384 1.00 0.00 N ATOM 274 CA LEU A 32 -16.692 7.843 34.480 1.00 0.00 C ATOM 275 C LEU A 32 -17.297 9.093 35.125 1.00 0.00 C ATOM 276 O LEU A 32 -18.009 9.848 34.487 1.00 0.00 O ATOM 277 CB LEU A 32 -17.405 7.541 33.156 1.00 0.00 C ATOM 278 CG LEU A 32 -16.968 6.167 32.607 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.201 5.352 32.183 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.043 6.356 31.396 1.00 0.00 C ATOM 0 H LEU A 32 -17.772 6.271 35.438 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.634 8.031 34.297 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.484 7.552 33.307 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.177 8.319 32.428 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.433 5.631 33.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.882 4.384 31.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.852 5.203 33.044 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.744 5.891 31.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.739 5.381 31.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.573 6.902 30.615 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.160 6.919 31.697 1.00 0.00 H new ATOM 281 N THR A 33 -17.005 9.324 36.377 1.00 0.00 N ATOM 282 CA THR A 33 -17.547 10.533 37.064 1.00 0.00 C ATOM 283 C THR A 33 -16.961 11.792 36.416 1.00 0.00 C ATOM 284 O THR A 33 -17.550 12.856 36.471 1.00 0.00 O ATOM 285 CB THR A 33 -17.164 10.495 38.544 1.00 0.00 C ATOM 286 OG1 THR A 33 -17.553 11.711 39.166 1.00 0.00 O ATOM 287 CG2 THR A 33 -15.650 10.313 38.676 1.00 0.00 C ATOM 0 H THR A 33 -16.414 8.727 36.955 1.00 0.00 H new ATOM 0 HA THR A 33 -18.633 10.548 36.972 1.00 0.00 H new ATOM 0 HB THR A 33 -17.672 9.662 39.029 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.309 11.686 40.115 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.377 10.286 39.731 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.353 9.378 38.200 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.140 11.145 38.191 1.00 0.00 H new ATOM 288 N LYS A 34 -15.805 11.681 35.806 1.00 0.00 N ATOM 289 CA LYS A 34 -15.176 12.869 35.156 1.00 0.00 C ATOM 290 C LYS A 34 -15.555 12.918 33.672 1.00 0.00 C ATOM 291 O LYS A 34 -15.520 13.967 33.055 1.00 0.00 O ATOM 292 CB LYS A 34 -13.654 12.773 35.287 1.00 0.00 C ATOM 293 CG LYS A 34 -13.203 13.509 36.550 1.00 0.00 C ATOM 294 CD LYS A 34 -11.681 13.663 36.533 1.00 0.00 C ATOM 295 CE LYS A 34 -11.033 12.416 37.136 1.00 0.00 C ATOM 296 NZ LYS A 34 -9.554 12.595 37.181 1.00 0.00 N ATOM 0 H LYS A 34 -15.270 10.815 35.731 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.533 13.775 35.646 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.348 11.728 35.333 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.175 13.207 34.410 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.678 14.489 36.602 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.514 12.956 37.437 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.331 13.809 35.511 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.388 14.547 37.099 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.419 12.242 38.140 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.286 11.538 36.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.114 11.747 37.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.192 12.741 36.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.322 13.423 37.766 1.00 0.00 H new ATOM 297 N PHE A 35 -15.913 11.798 33.092 1.00 0.00 N ATOM 298 CA PHE A 35 -16.292 11.782 31.646 1.00 0.00 C ATOM 299 C PHE A 35 -17.547 12.636 31.421 1.00 0.00 C ATOM 300 O PHE A 35 -17.817 13.067 30.316 1.00 0.00 O ATOM 301 CB PHE A 35 -16.570 10.344 31.209 1.00 0.00 C ATOM 302 CG PHE A 35 -16.410 10.223 29.712 1.00 0.00 C ATOM 303 CD1 PHE A 35 -17.409 10.704 28.858 1.00 0.00 C ATOM 304 CD2 PHE A 35 -15.261 9.628 29.181 1.00 0.00 C ATOM 305 CE1 PHE A 35 -17.257 10.589 27.470 1.00 0.00 C ATOM 306 CE2 PHE A 35 -15.110 9.512 27.795 1.00 0.00 C ATOM 307 CZ PHE A 35 -16.107 9.993 26.939 1.00 0.00 C ATOM 0 H PHE A 35 -15.959 10.893 33.560 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.471 12.193 31.058 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.885 9.662 31.713 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.580 10.055 31.500 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.296 11.163 29.268 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.490 9.258 29.841 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -18.027 10.960 26.810 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -14.223 9.051 27.385 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.989 9.904 25.869 1.00 0.00 H new ATOM 308 N LEU A 36 -18.318 12.888 32.459 1.00 0.00 N ATOM 309 CA LEU A 36 -19.555 13.718 32.300 1.00 0.00 C ATOM 310 C LEU A 36 -19.202 15.062 31.651 1.00 0.00 C ATOM 311 O LEU A 36 -20.007 15.659 30.959 1.00 0.00 O ATOM 312 CB LEU A 36 -20.179 13.969 33.675 1.00 0.00 C ATOM 313 CG LEU A 36 -20.586 12.634 34.306 1.00 0.00 C ATOM 314 CD1 LEU A 36 -20.877 12.839 35.793 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.842 12.104 33.610 1.00 0.00 C ATOM 0 H LEU A 36 -18.142 12.554 33.406 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.264 13.186 31.665 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.468 14.486 34.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.050 14.617 33.577 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.774 11.916 34.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.167 11.889 36.241 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.984 13.217 36.290 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.689 13.557 35.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -22.133 11.154 34.058 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.653 12.823 33.726 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.636 11.957 32.550 1.00 0.00 H new ATOM 316 N GLU A 37 -18.000 15.531 31.865 1.00 0.00 N ATOM 317 CA GLU A 37 -17.574 16.826 31.261 1.00 0.00 C ATOM 318 C GLU A 37 -16.142 16.695 30.731 1.00 0.00 C ATOM 319 O GLU A 37 -15.414 17.667 30.646 1.00 0.00 O ATOM 320 CB GLU A 37 -17.626 17.926 32.323 1.00 0.00 C ATOM 321 CG GLU A 37 -19.029 18.534 32.361 1.00 0.00 C ATOM 322 CD GLU A 37 -18.934 20.014 32.737 1.00 0.00 C ATOM 323 OE1 GLU A 37 -18.170 20.329 33.636 1.00 0.00 O ATOM 324 OE2 GLU A 37 -19.626 20.807 32.121 1.00 0.00 O ATOM 0 H GLU A 37 -17.292 15.069 32.436 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.244 17.082 30.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.370 17.515 33.300 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.890 18.698 32.098 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.511 18.425 31.389 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.647 18.003 33.085 1.00 0.00 H new ATOM 325 N GLU A 38 -15.731 15.500 30.374 1.00 0.00 N ATOM 326 CA GLU A 38 -14.349 15.305 29.848 1.00 0.00 C ATOM 327 C GLU A 38 -14.369 15.374 28.321 1.00 0.00 C ATOM 328 O GLU A 38 -13.408 15.791 27.700 1.00 0.00 O ATOM 329 CB GLU A 38 -13.810 13.939 30.292 1.00 0.00 C ATOM 330 CG GLU A 38 -12.282 13.998 30.373 1.00 0.00 C ATOM 331 CD GLU A 38 -11.696 14.038 28.960 1.00 0.00 C ATOM 332 OE1 GLU A 38 -12.189 13.311 28.114 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.764 14.796 28.749 1.00 0.00 O ATOM 0 H GLU A 38 -16.297 14.653 30.426 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.703 16.090 30.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.227 13.669 31.262 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.118 13.167 29.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.971 14.880 30.932 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.902 13.129 30.911 1.00 0.00 H new ATOM 334 N HIS A 39 -15.458 14.973 27.708 1.00 0.00 N ATOM 335 CA HIS A 39 -15.538 15.019 26.219 1.00 0.00 C ATOM 336 C HIS A 39 -16.293 16.289 25.788 1.00 0.00 C ATOM 337 O HIS A 39 -17.143 16.763 26.514 1.00 0.00 O ATOM 338 CB HIS A 39 -16.281 13.784 25.708 1.00 0.00 C ATOM 339 CG HIS A 39 -15.296 12.671 25.483 1.00 0.00 C ATOM 340 ND1 HIS A 39 -14.335 12.333 26.421 1.00 0.00 N ATOM 341 CD2 HIS A 39 -15.108 11.813 24.427 1.00 0.00 C ATOM 342 CE1 HIS A 39 -13.618 11.312 25.918 1.00 0.00 C ATOM 343 NE2 HIS A 39 -14.048 10.955 24.704 1.00 0.00 N ATOM 0 H HIS A 39 -16.291 14.617 28.176 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.532 15.033 25.800 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.037 13.476 26.430 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.803 14.017 24.780 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -14.196 12.777 27.328 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.694 11.805 23.520 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.795 10.838 26.433 1.00 0.00 H new ATOM 344 N PRO A 40 -15.966 16.812 24.620 1.00 0.00 N ATOM 345 CA PRO A 40 -16.613 18.043 24.069 1.00 0.00 C ATOM 346 C PRO A 40 -17.919 17.709 23.333 1.00 0.00 C ATOM 347 O PRO A 40 -18.484 18.549 22.657 1.00 0.00 O ATOM 348 CB PRO A 40 -15.573 18.580 23.095 1.00 0.00 C ATOM 349 CG PRO A 40 -14.705 17.403 22.668 1.00 0.00 C ATOM 350 CD PRO A 40 -14.921 16.273 23.680 1.00 0.00 C ATOM 0 HA PRO A 40 -16.888 18.756 24.847 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.055 19.036 22.230 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.967 19.353 23.567 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.974 17.074 21.664 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.655 17.694 22.638 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.259 15.360 23.191 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.999 16.029 24.207 1.00 0.00 H new ATOM 351 N GLY A 41 -18.407 16.495 23.454 1.00 0.00 N ATOM 352 CA GLY A 41 -19.673 16.122 22.758 1.00 0.00 C ATOM 353 C GLY A 41 -19.400 14.980 21.778 1.00 0.00 C ATOM 354 O GLY A 41 -19.592 15.118 20.584 1.00 0.00 O ATOM 0 H GLY A 41 -17.981 15.750 24.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.425 15.818 23.486 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -20.075 16.984 22.225 1.00 0.00 H new ATOM 355 N GLY A 42 -18.956 13.853 22.274 1.00 0.00 N ATOM 356 CA GLY A 42 -18.671 12.693 21.378 1.00 0.00 C ATOM 357 C GLY A 42 -19.978 12.204 20.754 1.00 0.00 C ATOM 358 O GLY A 42 -20.646 12.935 20.046 1.00 0.00 O ATOM 0 H GLY A 42 -18.778 13.686 23.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.969 12.986 20.597 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -18.201 11.888 21.944 1.00 0.00 H new ATOM 359 N GLU A 43 -20.350 10.977 21.016 1.00 0.00 N ATOM 360 CA GLU A 43 -21.618 10.442 20.445 1.00 0.00 C ATOM 361 C GLU A 43 -22.702 10.435 21.538 1.00 0.00 C ATOM 362 O GLU A 43 -23.416 11.407 21.705 1.00 0.00 O ATOM 363 CB GLU A 43 -21.383 9.027 19.903 1.00 0.00 C ATOM 364 CG GLU A 43 -21.087 9.096 18.402 1.00 0.00 C ATOM 365 CD GLU A 43 -21.687 7.874 17.703 1.00 0.00 C ATOM 366 OE1 GLU A 43 -22.757 7.449 18.109 1.00 0.00 O ATOM 367 OE2 GLU A 43 -21.067 7.383 16.773 1.00 0.00 O ATOM 0 H GLU A 43 -19.829 10.324 21.601 1.00 0.00 H new ATOM 0 HA GLU A 43 -21.952 11.074 19.622 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -20.550 8.559 20.427 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -22.261 8.407 20.083 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -21.505 10.010 17.980 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.010 9.131 18.235 1.00 0.00 H new ATOM 368 N GLU A 44 -22.834 9.360 22.287 1.00 0.00 N ATOM 369 CA GLU A 44 -23.869 9.320 23.361 1.00 0.00 C ATOM 370 C GLU A 44 -23.214 9.557 24.720 1.00 0.00 C ATOM 371 O GLU A 44 -23.790 10.169 25.596 1.00 0.00 O ATOM 372 CB GLU A 44 -24.580 7.960 23.355 1.00 0.00 C ATOM 373 CG GLU A 44 -23.549 6.827 23.358 1.00 0.00 C ATOM 374 CD GLU A 44 -24.257 5.495 23.611 1.00 0.00 C ATOM 375 OE1 GLU A 44 -25.377 5.343 23.149 1.00 0.00 O ATOM 376 OE2 GLU A 44 -23.668 4.649 24.263 1.00 0.00 O ATOM 0 H GLU A 44 -22.269 8.515 22.197 1.00 0.00 H new ATOM 0 HA GLU A 44 -24.603 10.104 23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -25.227 7.875 24.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -25.219 7.879 22.475 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -23.024 6.796 22.403 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -22.799 7.005 24.129 1.00 0.00 H new ATOM 377 N VAL A 45 -22.014 9.060 24.884 1.00 0.00 N ATOM 378 CA VAL A 45 -21.249 9.206 26.175 1.00 0.00 C ATOM 379 C VAL A 45 -22.163 8.963 27.394 1.00 0.00 C ATOM 380 O VAL A 45 -23.247 8.425 27.263 1.00 0.00 O ATOM 381 CB VAL A 45 -20.598 10.599 26.247 1.00 0.00 C ATOM 382 CG1 VAL A 45 -19.735 10.815 25.004 1.00 0.00 C ATOM 383 CG2 VAL A 45 -21.661 11.700 26.309 1.00 0.00 C ATOM 0 H VAL A 45 -21.514 8.544 24.160 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.463 8.451 26.198 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.989 10.648 27.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -19.271 11.800 25.050 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -18.959 10.050 24.962 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -20.358 10.748 24.112 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.174 12.674 26.359 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -22.286 11.653 25.417 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.281 11.558 27.195 1.00 0.00 H new ATOM 384 N LEU A 46 -21.727 9.337 28.571 1.00 0.00 N ATOM 385 CA LEU A 46 -22.566 9.115 29.790 1.00 0.00 C ATOM 386 C LEU A 46 -23.695 10.148 29.842 1.00 0.00 C ATOM 387 O LEU A 46 -24.762 9.887 30.363 1.00 0.00 O ATOM 388 CB LEU A 46 -21.698 9.260 31.041 1.00 0.00 C ATOM 389 CG LEU A 46 -21.100 7.904 31.413 1.00 0.00 C ATOM 390 CD1 LEU A 46 -19.744 7.742 30.720 1.00 0.00 C ATOM 391 CD2 LEU A 46 -20.918 7.837 32.931 1.00 0.00 C ATOM 0 H LEU A 46 -20.827 9.786 28.741 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.993 8.113 29.749 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -20.902 9.982 30.861 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.296 9.644 31.868 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.766 7.103 31.092 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.314 6.776 30.983 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.879 7.797 29.640 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.073 8.538 31.043 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -20.492 6.872 33.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.248 8.634 33.253 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.885 7.957 33.419 1.00 0.00 H new ATOM 392 N ARG A 47 -23.463 11.324 29.312 1.00 0.00 N ATOM 393 CA ARG A 47 -24.510 12.394 29.332 1.00 0.00 C ATOM 394 C ARG A 47 -25.815 11.877 28.710 1.00 0.00 C ATOM 395 O ARG A 47 -26.894 12.320 29.060 1.00 0.00 O ATOM 396 CB ARG A 47 -24.013 13.603 28.536 1.00 0.00 C ATOM 397 CG ARG A 47 -24.502 14.893 29.201 1.00 0.00 C ATOM 398 CD ARG A 47 -26.025 14.991 29.081 1.00 0.00 C ATOM 399 NE ARG A 47 -26.653 14.552 30.359 1.00 0.00 N ATOM 400 CZ ARG A 47 -27.620 15.254 30.887 1.00 0.00 C ATOM 401 NH1 ARG A 47 -27.365 16.414 31.425 1.00 0.00 N ATOM 402 NH2 ARG A 47 -28.840 14.793 30.876 1.00 0.00 N ATOM 0 H ARG A 47 -22.587 11.591 28.863 1.00 0.00 H new ATOM 0 HA ARG A 47 -24.702 12.682 30.366 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -22.924 13.597 28.488 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -24.377 13.550 27.510 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.209 14.906 30.251 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.034 15.757 28.729 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.317 16.016 28.853 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.376 14.369 28.258 1.00 0.00 H new ATOM 0 HE ARG A 47 -26.328 13.703 30.822 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.410 16.773 31.434 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.120 16.962 31.837 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -29.038 13.885 30.455 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -29.596 15.340 31.288 1.00 0.00 H new ATOM 403 N GLU A 48 -25.724 10.945 27.795 1.00 0.00 N ATOM 404 CA GLU A 48 -26.956 10.400 27.152 1.00 0.00 C ATOM 405 C GLU A 48 -26.690 8.976 26.658 1.00 0.00 C ATOM 406 O GLU A 48 -25.565 8.606 26.383 1.00 0.00 O ATOM 407 CB GLU A 48 -27.348 11.286 25.967 1.00 0.00 C ATOM 408 CG GLU A 48 -26.157 11.431 25.019 1.00 0.00 C ATOM 409 CD GLU A 48 -26.575 12.246 23.795 1.00 0.00 C ATOM 410 OE1 GLU A 48 -27.513 11.840 23.128 1.00 0.00 O ATOM 411 OE2 GLU A 48 -25.950 13.264 23.543 1.00 0.00 O ATOM 0 H GLU A 48 -24.848 10.538 27.466 1.00 0.00 H new ATOM 0 HA GLU A 48 -27.767 10.385 27.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -28.195 10.850 25.438 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -27.665 12.267 26.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -25.329 11.922 25.531 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -25.803 10.448 24.710 1.00 0.00 H new ATOM 412 N GLN A 49 -27.721 8.177 26.543 1.00 0.00 N ATOM 413 CA GLN A 49 -27.540 6.773 26.065 1.00 0.00 C ATOM 414 C GLN A 49 -28.898 6.084 25.972 1.00 0.00 C ATOM 415 O GLN A 49 -29.161 5.322 25.060 1.00 0.00 O ATOM 416 CB GLN A 49 -26.644 6.009 27.044 1.00 0.00 C ATOM 417 CG GLN A 49 -25.788 5.002 26.274 1.00 0.00 C ATOM 418 CD GLN A 49 -25.574 3.752 27.128 1.00 0.00 C ATOM 419 OE1 GLN A 49 -25.704 2.643 26.648 1.00 0.00 O ATOM 420 NE2 GLN A 49 -25.249 3.882 28.385 1.00 0.00 N ATOM 0 H GLN A 49 -28.683 8.438 26.760 1.00 0.00 H new ATOM 0 HA GLN A 49 -27.073 6.785 25.080 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -26.005 6.705 27.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.254 5.492 27.785 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -26.277 4.735 25.337 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -24.827 5.448 26.017 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -25.139 4.812 28.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -25.105 3.054 28.963 1.00 0.00 H new ATOM 421 N ALA A 50 -29.757 6.350 26.913 1.00 0.00 N ATOM 422 CA ALA A 50 -31.115 5.724 26.912 1.00 0.00 C ATOM 423 C ALA A 50 -30.981 4.200 26.981 1.00 0.00 C ATOM 424 O ALA A 50 -30.708 3.547 25.992 1.00 0.00 O ATOM 425 CB ALA A 50 -31.863 6.114 25.634 1.00 0.00 C ATOM 0 H ALA A 50 -29.578 6.981 27.694 1.00 0.00 H new ATOM 0 HA ALA A 50 -31.673 6.078 27.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -32.852 5.656 25.637 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -31.965 7.198 25.589 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -31.305 5.766 24.765 1.00 0.00 H new ATOM 426 N GLY A 51 -31.174 3.631 28.145 1.00 0.00 N ATOM 427 CA GLY A 51 -31.061 2.151 28.290 1.00 0.00 C ATOM 428 C GLY A 51 -29.620 1.718 28.012 1.00 0.00 C ATOM 429 O GLY A 51 -28.751 1.856 28.853 1.00 0.00 O ATOM 0 H GLY A 51 -31.406 4.132 29.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -31.354 1.850 29.296 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -31.741 1.654 27.598 1.00 0.00 H new ATOM 430 N GLY A 52 -29.364 1.197 26.840 1.00 0.00 N ATOM 431 CA GLY A 52 -27.982 0.751 26.497 1.00 0.00 C ATOM 432 C GLY A 52 -27.918 -0.776 26.513 1.00 0.00 C ATOM 433 O GLY A 52 -27.389 -1.373 27.432 1.00 0.00 O ATOM 0 H GLY A 52 -30.056 1.061 26.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.701 1.127 25.513 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -27.268 1.163 27.211 1.00 0.00 H new ATOM 434 N ASP A 53 -28.453 -1.411 25.502 1.00 0.00 N ATOM 435 CA ASP A 53 -28.429 -2.903 25.449 1.00 0.00 C ATOM 436 C ASP A 53 -27.371 -3.359 24.441 1.00 0.00 C ATOM 437 O ASP A 53 -26.696 -4.350 24.645 1.00 0.00 O ATOM 438 CB ASP A 53 -29.802 -3.421 25.014 1.00 0.00 C ATOM 439 CG ASP A 53 -29.827 -4.946 25.114 1.00 0.00 C ATOM 440 OD1 ASP A 53 -29.949 -5.447 26.220 1.00 0.00 O ATOM 441 OD2 ASP A 53 -29.723 -5.588 24.082 1.00 0.00 O ATOM 0 H ASP A 53 -28.907 -0.959 24.708 1.00 0.00 H new ATOM 0 HA ASP A 53 -28.188 -3.298 26.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -30.581 -2.992 25.644 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -30.012 -3.110 23.991 1.00 0.00 H new ATOM 442 N ALA A 54 -27.225 -2.641 23.356 1.00 0.00 N ATOM 443 CA ALA A 54 -26.213 -3.025 22.329 1.00 0.00 C ATOM 444 C ALA A 54 -25.011 -2.082 22.423 1.00 0.00 C ATOM 445 O ALA A 54 -24.955 -1.066 21.756 1.00 0.00 O ATOM 446 CB ALA A 54 -26.836 -2.919 20.936 1.00 0.00 C ATOM 0 H ALA A 54 -27.765 -1.804 23.138 1.00 0.00 H new ATOM 0 HA ALA A 54 -25.887 -4.050 22.504 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -26.098 -3.199 20.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -27.694 -3.588 20.869 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.161 -1.894 20.760 1.00 0.00 H new ATOM 447 N THR A 55 -24.050 -2.416 23.246 1.00 0.00 N ATOM 448 CA THR A 55 -22.845 -1.547 23.392 1.00 0.00 C ATOM 449 C THR A 55 -21.661 -2.188 22.665 1.00 0.00 C ATOM 450 O THR A 55 -21.271 -3.302 22.961 1.00 0.00 O ATOM 451 CB THR A 55 -22.506 -1.390 24.876 1.00 0.00 C ATOM 452 OG1 THR A 55 -22.169 -2.657 25.420 1.00 0.00 O ATOM 453 CG2 THR A 55 -23.716 -0.819 25.620 1.00 0.00 C ATOM 0 H THR A 55 -24.049 -3.256 23.825 1.00 0.00 H new ATOM 0 HA THR A 55 -23.050 -0.568 22.959 1.00 0.00 H new ATOM 0 HB THR A 55 -21.661 -0.711 24.986 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.950 -2.557 26.370 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.474 -0.707 26.677 1.00 0.00 H new ATOM 0 HG22 THR A 55 -23.974 0.154 25.202 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.563 -1.497 25.511 1.00 0.00 H new ATOM 454 N GLU A 56 -21.091 -1.492 21.714 1.00 0.00 N ATOM 455 CA GLU A 56 -19.930 -2.052 20.960 1.00 0.00 C ATOM 456 C GLU A 56 -18.705 -1.162 21.176 1.00 0.00 C ATOM 457 O GLU A 56 -18.564 -0.125 20.556 1.00 0.00 O ATOM 458 CB GLU A 56 -20.268 -2.104 19.469 1.00 0.00 C ATOM 459 CG GLU A 56 -19.503 -3.255 18.811 1.00 0.00 C ATOM 460 CD GLU A 56 -19.602 -3.131 17.290 1.00 0.00 C ATOM 461 OE1 GLU A 56 -18.981 -2.233 16.748 1.00 0.00 O ATOM 462 OE2 GLU A 56 -20.298 -3.936 16.694 1.00 0.00 O ATOM 0 H GLU A 56 -21.381 -0.557 21.427 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.715 -3.059 21.318 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -21.341 -2.242 19.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.005 -1.159 18.993 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.458 -3.235 19.121 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.914 -4.211 19.136 1.00 0.00 H new ATOM 463 N ASN A 57 -17.815 -1.562 22.051 1.00 0.00 N ATOM 464 CA ASN A 57 -16.590 -0.747 22.318 1.00 0.00 C ATOM 465 C ASN A 57 -16.993 0.636 22.838 1.00 0.00 C ATOM 466 O ASN A 57 -16.432 1.644 22.452 1.00 0.00 O ATOM 467 CB ASN A 57 -15.780 -0.595 21.025 1.00 0.00 C ATOM 468 CG ASN A 57 -15.521 -1.975 20.418 1.00 0.00 C ATOM 469 OD1 ASN A 57 -15.393 -2.952 21.130 1.00 0.00 O ATOM 470 ND2 ASN A 57 -15.437 -2.098 19.121 1.00 0.00 N ATOM 0 H ASN A 57 -17.885 -2.422 22.594 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.980 -1.250 23.069 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.322 0.030 20.315 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.834 -0.094 21.233 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.264 -3.013 18.706 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.544 -1.279 18.523 1.00 0.00 H new ATOM 471 N PHE A 58 -17.966 0.689 23.716 1.00 0.00 N ATOM 472 CA PHE A 58 -18.419 2.003 24.273 1.00 0.00 C ATOM 473 C PHE A 58 -18.914 2.903 23.136 1.00 0.00 C ATOM 474 O PHE A 58 -18.856 4.115 23.225 1.00 0.00 O ATOM 475 CB PHE A 58 -17.252 2.685 24.992 1.00 0.00 C ATOM 476 CG PHE A 58 -17.788 3.645 26.029 1.00 0.00 C ATOM 477 CD1 PHE A 58 -18.364 3.154 27.207 1.00 0.00 C ATOM 478 CD2 PHE A 58 -17.705 5.025 25.812 1.00 0.00 C ATOM 479 CE1 PHE A 58 -18.858 4.044 28.167 1.00 0.00 C ATOM 480 CE2 PHE A 58 -18.198 5.915 26.773 1.00 0.00 C ATOM 481 CZ PHE A 58 -18.776 5.424 27.952 1.00 0.00 C ATOM 0 H PHE A 58 -18.468 -0.125 24.072 1.00 0.00 H new ATOM 0 HA PHE A 58 -19.232 1.833 24.979 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.617 1.937 25.467 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.631 3.220 24.273 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -18.427 2.089 27.375 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -17.261 5.403 24.903 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -19.303 3.665 29.075 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.133 6.980 26.606 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.158 6.110 28.694 1.00 0.00 H new ATOM 482 N GLU A 59 -19.397 2.318 22.066 1.00 0.00 N ATOM 483 CA GLU A 59 -19.899 3.130 20.915 1.00 0.00 C ATOM 484 C GLU A 59 -18.772 4.015 20.376 1.00 0.00 C ATOM 485 O GLU A 59 -17.736 4.159 20.997 1.00 0.00 O ATOM 486 CB GLU A 59 -21.064 4.011 21.377 1.00 0.00 C ATOM 487 CG GLU A 59 -22.389 3.291 21.115 1.00 0.00 C ATOM 488 CD GLU A 59 -23.458 4.310 20.720 1.00 0.00 C ATOM 489 OE1 GLU A 59 -23.120 5.254 20.026 1.00 0.00 O ATOM 490 OE2 GLU A 59 -24.597 4.128 21.119 1.00 0.00 O ATOM 0 H GLU A 59 -19.465 1.308 21.941 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.241 2.460 20.126 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -20.964 4.235 22.439 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.045 4.963 20.847 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.263 2.555 20.321 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.702 2.748 22.007 1.00 0.00 H new ATOM 491 N ASP A 60 -18.969 4.609 19.226 1.00 0.00 N ATOM 492 CA ASP A 60 -17.916 5.487 18.641 1.00 0.00 C ATOM 493 C ASP A 60 -17.868 6.805 19.418 1.00 0.00 C ATOM 494 O ASP A 60 -18.744 7.099 20.208 1.00 0.00 O ATOM 495 CB ASP A 60 -18.249 5.770 17.175 1.00 0.00 C ATOM 496 CG ASP A 60 -17.001 6.286 16.456 1.00 0.00 C ATOM 497 OD1 ASP A 60 -15.971 5.639 16.560 1.00 0.00 O ATOM 498 OD2 ASP A 60 -17.096 7.319 15.813 1.00 0.00 O ATOM 0 H ASP A 60 -19.818 4.522 18.667 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.947 4.991 18.704 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.610 4.862 16.692 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.050 6.507 17.109 1.00 0.00 H new ATOM 499 N VAL A 61 -16.848 7.597 19.199 1.00 0.00 N ATOM 500 CA VAL A 61 -16.735 8.896 19.925 1.00 0.00 C ATOM 501 C VAL A 61 -16.593 10.037 18.917 1.00 0.00 C ATOM 502 O VAL A 61 -17.198 11.084 19.054 1.00 0.00 O ATOM 503 CB VAL A 61 -15.520 8.852 20.865 1.00 0.00 C ATOM 504 CG1 VAL A 61 -14.234 8.652 20.055 1.00 0.00 C ATOM 505 CG2 VAL A 61 -15.429 10.160 21.660 1.00 0.00 C ATOM 0 H VAL A 61 -16.089 7.398 18.548 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.633 9.066 20.519 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.640 8.017 21.556 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.379 8.622 20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.293 7.714 19.504 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.114 9.478 19.354 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.566 10.123 22.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.321 10.998 20.971 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.336 10.291 22.250 1.00 0.00 H new ATOM 506 N GLY A 62 -15.797 9.834 17.909 1.00 0.00 N ATOM 507 CA GLY A 62 -15.592 10.889 16.871 1.00 0.00 C ATOM 508 C GLY A 62 -15.006 12.145 17.522 1.00 0.00 C ATOM 509 O GLY A 62 -15.526 13.235 17.369 1.00 0.00 O ATOM 0 H GLY A 62 -15.272 8.974 17.754 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.921 10.523 16.094 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.540 11.126 16.388 1.00 0.00 H new ATOM 510 N HIS A 63 -13.929 11.998 18.252 1.00 0.00 N ATOM 511 CA HIS A 63 -13.302 13.175 18.921 1.00 0.00 C ATOM 512 C HIS A 63 -12.386 13.899 17.931 1.00 0.00 C ATOM 513 O HIS A 63 -12.646 15.023 17.541 1.00 0.00 O ATOM 514 CB HIS A 63 -12.482 12.700 20.125 1.00 0.00 C ATOM 515 CG HIS A 63 -11.966 13.887 20.897 1.00 0.00 C ATOM 516 ND1 HIS A 63 -12.516 15.154 20.778 1.00 0.00 N ATOM 517 CD2 HIS A 63 -10.944 14.009 21.808 1.00 0.00 C ATOM 518 CE1 HIS A 63 -11.832 15.975 21.596 1.00 0.00 C ATOM 519 NE2 HIS A 63 -10.862 15.327 22.247 1.00 0.00 N ATOM 0 H HIS A 63 -13.456 11.109 18.413 1.00 0.00 H new ATOM 0 HA HIS A 63 -14.081 13.859 19.259 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -13.098 12.075 20.771 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.648 12.085 19.788 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.302 13.204 22.134 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.041 17.028 21.712 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -10.203 15.715 22.921 1.00 0.00 H new ATOM 520 N SER A 64 -11.318 13.262 17.522 1.00 0.00 N ATOM 521 CA SER A 64 -10.379 13.907 16.557 1.00 0.00 C ATOM 522 C SER A 64 -9.474 12.841 15.937 1.00 0.00 C ATOM 523 O SER A 64 -9.475 12.634 14.739 1.00 0.00 O ATOM 524 CB SER A 64 -9.523 14.938 17.292 1.00 0.00 C ATOM 525 OG SER A 64 -8.503 15.408 16.419 1.00 0.00 O ATOM 0 H SER A 64 -11.056 12.321 17.816 1.00 0.00 H new ATOM 0 HA SER A 64 -10.949 14.402 15.770 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.143 15.770 17.628 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.079 14.492 18.182 1.00 0.00 H new ATOM 0 HG SER A 64 -7.952 16.071 16.886 1.00 0.00 H new ATOM 526 N THR A 65 -8.701 12.163 16.748 1.00 0.00 N ATOM 527 CA THR A 65 -7.790 11.108 16.216 1.00 0.00 C ATOM 528 C THR A 65 -8.621 9.986 15.589 1.00 0.00 C ATOM 529 O THR A 65 -9.837 10.015 15.617 1.00 0.00 O ATOM 530 CB THR A 65 -6.946 10.539 17.359 1.00 0.00 C ATOM 531 OG1 THR A 65 -7.802 9.980 18.345 1.00 0.00 O ATOM 532 CG2 THR A 65 -6.108 11.656 17.981 1.00 0.00 C ATOM 0 H THR A 65 -8.663 12.296 17.759 1.00 0.00 H new ATOM 0 HA THR A 65 -7.134 11.541 15.461 1.00 0.00 H new ATOM 0 HB THR A 65 -6.284 9.764 16.972 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.263 9.614 19.077 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.507 11.250 18.795 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.451 12.083 17.223 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.767 12.432 18.369 1.00 0.00 H new ATOM 533 N ASP A 66 -7.971 8.999 15.026 1.00 0.00 N ATOM 534 CA ASP A 66 -8.715 7.869 14.395 1.00 0.00 C ATOM 535 C ASP A 66 -9.520 7.128 15.464 1.00 0.00 C ATOM 536 O ASP A 66 -9.594 7.554 16.600 1.00 0.00 O ATOM 537 CB ASP A 66 -7.720 6.905 13.744 1.00 0.00 C ATOM 538 CG ASP A 66 -6.677 6.473 14.777 1.00 0.00 C ATOM 539 OD1 ASP A 66 -5.687 7.171 14.919 1.00 0.00 O ATOM 540 OD2 ASP A 66 -6.886 5.449 15.407 1.00 0.00 O ATOM 0 H ASP A 66 -6.955 8.928 14.977 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.393 8.259 13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.245 6.033 13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.231 7.387 12.898 1.00 0.00 H new ATOM 541 N ALA A 67 -10.121 6.022 15.106 1.00 0.00 N ATOM 542 CA ALA A 67 -10.924 5.245 16.097 1.00 0.00 C ATOM 543 C ALA A 67 -10.010 4.753 17.221 1.00 0.00 C ATOM 544 O ALA A 67 -9.031 4.071 16.981 1.00 0.00 O ATOM 545 CB ALA A 67 -11.568 4.044 15.401 1.00 0.00 C ATOM 0 H ALA A 67 -10.090 5.623 14.168 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.702 5.884 16.515 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.154 3.476 16.123 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -12.219 4.394 14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.790 3.405 14.983 1.00 0.00 H new ATOM 546 N ARG A 68 -10.325 5.096 18.445 1.00 0.00 N ATOM 547 CA ARG A 68 -9.480 4.653 19.591 1.00 0.00 C ATOM 548 C ARG A 68 -10.342 4.541 20.849 1.00 0.00 C ATOM 549 O ARG A 68 -10.262 3.572 21.580 1.00 0.00 O ATOM 550 CB ARG A 68 -8.365 5.676 19.827 1.00 0.00 C ATOM 551 CG ARG A 68 -7.144 4.972 20.421 1.00 0.00 C ATOM 552 CD ARG A 68 -5.873 5.712 19.998 1.00 0.00 C ATOM 553 NE ARG A 68 -5.533 6.740 21.022 1.00 0.00 N ATOM 554 CZ ARG A 68 -4.369 6.713 21.611 1.00 0.00 C ATOM 555 NH1 ARG A 68 -3.953 5.617 22.185 1.00 0.00 N ATOM 556 NH2 ARG A 68 -3.621 7.782 21.629 1.00 0.00 N ATOM 0 H ARG A 68 -11.133 5.665 18.698 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.042 3.681 19.364 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.097 6.161 18.888 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.712 6.458 20.503 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.218 4.947 21.508 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.106 3.937 20.080 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.049 5.007 19.887 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.021 6.185 19.027 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.210 7.464 21.262 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.538 4.781 22.173 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.043 5.596 22.645 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.946 8.640 21.182 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.711 7.760 22.090 1.00 0.00 H new ATOM 557 N GLU A 69 -11.169 5.527 21.106 1.00 0.00 N ATOM 558 CA GLU A 69 -12.047 5.497 22.318 1.00 0.00 C ATOM 559 C GLU A 69 -11.180 5.552 23.578 1.00 0.00 C ATOM 560 O GLU A 69 -10.244 4.792 23.731 1.00 0.00 O ATOM 561 CB GLU A 69 -12.889 4.214 22.328 1.00 0.00 C ATOM 562 CG GLU A 69 -14.005 4.334 23.370 1.00 0.00 C ATOM 563 CD GLU A 69 -14.968 5.453 22.965 1.00 0.00 C ATOM 564 OE1 GLU A 69 -15.271 5.550 21.787 1.00 0.00 O ATOM 565 OE2 GLU A 69 -15.385 6.193 23.839 1.00 0.00 O ATOM 0 H GLU A 69 -11.273 6.357 20.523 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.714 6.358 22.296 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.318 4.042 21.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.257 3.355 22.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.543 3.390 23.452 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.579 4.544 24.351 1.00 0.00 H new ATOM 566 N LEU A 70 -11.489 6.449 24.481 1.00 0.00 N ATOM 567 CA LEU A 70 -10.690 6.560 25.737 1.00 0.00 C ATOM 568 C LEU A 70 -11.300 5.641 26.799 1.00 0.00 C ATOM 569 O LEU A 70 -11.807 6.088 27.811 1.00 0.00 O ATOM 570 CB LEU A 70 -10.701 8.021 26.220 1.00 0.00 C ATOM 571 CG LEU A 70 -9.857 8.187 27.499 1.00 0.00 C ATOM 572 CD1 LEU A 70 -8.446 7.616 27.297 1.00 0.00 C ATOM 573 CD2 LEU A 70 -9.753 9.679 27.834 1.00 0.00 C ATOM 0 H LEU A 70 -12.262 7.110 24.401 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.658 6.259 25.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.311 8.670 25.436 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.726 8.336 26.413 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.338 7.646 28.313 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.867 7.744 28.212 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.514 6.555 27.056 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.954 8.143 26.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.158 9.808 28.738 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.276 10.205 27.007 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.751 10.086 27.996 1.00 0.00 H new ATOM 574 N SER A 71 -11.256 4.356 26.565 1.00 0.00 N ATOM 575 CA SER A 71 -11.828 3.385 27.539 1.00 0.00 C ATOM 576 C SER A 71 -10.699 2.773 28.374 1.00 0.00 C ATOM 577 O SER A 71 -10.691 1.586 28.648 1.00 0.00 O ATOM 578 CB SER A 71 -12.560 2.280 26.774 1.00 0.00 C ATOM 579 OG SER A 71 -11.698 1.752 25.774 1.00 0.00 O ATOM 0 H SER A 71 -10.844 3.935 25.732 1.00 0.00 H new ATOM 0 HA SER A 71 -12.527 3.896 28.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.868 1.490 27.459 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.466 2.677 26.317 1.00 0.00 H new ATOM 0 HG SER A 71 -12.163 1.043 25.283 1.00 0.00 H new ATOM 580 N LYS A 72 -9.740 3.573 28.774 1.00 0.00 N ATOM 581 CA LYS A 72 -8.604 3.038 29.583 1.00 0.00 C ATOM 582 C LYS A 72 -8.384 3.900 30.831 1.00 0.00 C ATOM 583 O LYS A 72 -8.085 3.390 31.894 1.00 0.00 O ATOM 584 CB LYS A 72 -7.331 3.043 28.734 1.00 0.00 C ATOM 585 CG LYS A 72 -6.419 1.896 29.175 1.00 0.00 C ATOM 586 CD LYS A 72 -5.051 2.045 28.506 1.00 0.00 C ATOM 587 CE LYS A 72 -4.090 0.996 29.068 1.00 0.00 C ATOM 588 NZ LYS A 72 -3.868 1.254 30.519 1.00 0.00 N ATOM 0 H LYS A 72 -9.696 4.572 28.575 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.841 2.020 29.894 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.584 2.936 27.679 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.813 3.996 28.842 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.308 1.902 30.259 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.865 0.939 28.906 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.147 1.924 27.427 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.656 3.046 28.681 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.500 -0.003 28.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.142 1.031 28.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.957 0.844 30.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.856 2.280 30.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.635 0.819 31.070 1.00 0.00 H new ATOM 589 N THR A 73 -8.516 5.198 30.711 1.00 0.00 N ATOM 590 CA THR A 73 -8.300 6.090 31.895 1.00 0.00 C ATOM 591 C THR A 73 -9.623 6.339 32.634 1.00 0.00 C ATOM 592 O THR A 73 -9.744 7.293 33.379 1.00 0.00 O ATOM 593 CB THR A 73 -7.710 7.428 31.427 1.00 0.00 C ATOM 594 OG1 THR A 73 -7.475 8.255 32.558 1.00 0.00 O ATOM 595 CG2 THR A 73 -8.680 8.134 30.472 1.00 0.00 C ATOM 0 H THR A 73 -8.764 5.679 29.846 1.00 0.00 H new ATOM 0 HA THR A 73 -7.607 5.601 32.580 1.00 0.00 H new ATOM 0 HB THR A 73 -6.774 7.240 30.901 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.216 8.161 33.192 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.248 9.081 30.149 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.859 7.502 29.603 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.623 8.322 30.985 1.00 0.00 H new ATOM 596 N TYR A 74 -10.607 5.494 32.445 1.00 0.00 N ATOM 597 CA TYR A 74 -11.910 5.693 33.145 1.00 0.00 C ATOM 598 C TYR A 74 -12.416 4.347 33.677 1.00 0.00 C ATOM 599 O TYR A 74 -13.603 4.076 33.662 1.00 0.00 O ATOM 600 CB TYR A 74 -12.941 6.272 32.168 1.00 0.00 C ATOM 601 CG TYR A 74 -12.448 7.589 31.603 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.975 8.595 32.456 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.475 7.806 30.218 1.00 0.00 C ATOM 604 CE1 TYR A 74 -11.527 9.811 31.925 1.00 0.00 C ATOM 605 CE2 TYR A 74 -12.028 9.021 29.689 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.554 10.024 30.542 1.00 0.00 C ATOM 607 OH TYR A 74 -11.113 11.222 30.019 1.00 0.00 O ATOM 0 H TYR A 74 -10.562 4.677 31.837 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.769 6.386 33.975 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.121 5.566 31.358 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.892 6.421 32.679 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.956 8.433 33.524 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.842 7.033 29.558 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.160 10.585 32.583 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.049 9.185 28.622 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.140 11.285 30.122 1.00 0.00 H new ATOM 608 N ILE A 75 -11.528 3.501 34.144 1.00 0.00 N ATOM 609 CA ILE A 75 -11.968 2.171 34.674 1.00 0.00 C ATOM 610 C ILE A 75 -11.683 2.095 36.175 1.00 0.00 C ATOM 611 O ILE A 75 -10.812 2.769 36.690 1.00 0.00 O ATOM 612 CB ILE A 75 -11.212 1.017 33.991 1.00 0.00 C ATOM 613 CG1 ILE A 75 -10.907 1.343 32.517 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.067 -0.251 34.069 1.00 0.00 C ATOM 615 CD1 ILE A 75 -12.205 1.644 31.765 1.00 0.00 C ATOM 0 H ILE A 75 -10.523 3.673 34.181 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.035 2.074 34.472 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.263 0.868 34.506 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.236 2.200 32.457 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.393 0.503 32.050 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.540 -1.075 33.588 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.254 -0.500 35.114 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.016 -0.081 33.561 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.978 1.873 30.724 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.862 0.775 31.810 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.702 2.499 32.224 1.00 0.00 H new ATOM 616 N ILE A 76 -12.402 1.254 36.869 1.00 0.00 N ATOM 617 CA ILE A 76 -12.180 1.091 38.340 1.00 0.00 C ATOM 618 C ILE A 76 -11.877 -0.378 38.649 1.00 0.00 C ATOM 619 O ILE A 76 -11.083 -0.687 39.517 1.00 0.00 O ATOM 620 CB ILE A 76 -13.416 1.524 39.157 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.708 1.402 38.330 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.237 2.971 39.610 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.891 1.114 39.258 1.00 0.00 C ATOM 0 H ILE A 76 -13.140 0.667 36.479 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.341 1.727 38.621 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.504 0.865 40.020 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.885 2.324 37.776 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.607 0.603 37.596 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.108 3.282 40.188 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.343 3.051 40.229 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.132 3.615 38.737 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.804 1.028 38.668 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.715 0.180 39.792 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.997 1.928 39.975 1.00 0.00 H new ATOM 624 N GLY A 77 -12.512 -1.284 37.948 1.00 0.00 N ATOM 625 CA GLY A 77 -12.274 -2.736 38.200 1.00 0.00 C ATOM 626 C GLY A 77 -12.986 -3.559 37.128 1.00 0.00 C ATOM 627 O GLY A 77 -13.131 -3.125 36.001 1.00 0.00 O ATOM 0 H GLY A 77 -13.186 -1.079 37.211 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.205 -2.948 38.187 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.642 -3.010 39.189 1.00 0.00 H new ATOM 628 N GLU A 78 -13.439 -4.739 37.472 1.00 0.00 N ATOM 629 CA GLU A 78 -14.154 -5.588 36.474 1.00 0.00 C ATOM 630 C GLU A 78 -15.511 -6.008 37.043 1.00 0.00 C ATOM 631 O GLU A 78 -15.900 -5.585 38.116 1.00 0.00 O ATOM 632 CB GLU A 78 -13.326 -6.837 36.163 1.00 0.00 C ATOM 633 CG GLU A 78 -12.246 -6.490 35.137 1.00 0.00 C ATOM 634 CD GLU A 78 -11.510 -7.764 34.716 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.344 -8.633 35.555 1.00 0.00 O ATOM 636 OE2 GLU A 78 -11.126 -7.848 33.560 1.00 0.00 O ATOM 0 H GLU A 78 -13.344 -5.150 38.401 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.300 -5.017 35.557 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.867 -7.219 37.075 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.970 -7.626 35.776 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.697 -6.014 34.266 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.542 -5.775 35.563 1.00 0.00 H new ATOM 637 N LEU A 79 -16.231 -6.841 36.334 1.00 0.00 N ATOM 638 CA LEU A 79 -17.563 -7.298 36.828 1.00 0.00 C ATOM 639 C LEU A 79 -17.382 -8.539 37.702 1.00 0.00 C ATOM 640 O LEU A 79 -16.638 -9.442 37.366 1.00 0.00 O ATOM 641 CB LEU A 79 -18.458 -7.652 35.630 1.00 0.00 C ATOM 642 CG LEU A 79 -19.938 -7.376 35.953 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.388 -8.219 37.150 1.00 0.00 C ATOM 644 CD2 LEU A 79 -20.139 -5.883 36.263 1.00 0.00 C ATOM 0 H LEU A 79 -15.951 -7.225 35.431 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.027 -6.502 37.411 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.156 -7.069 34.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.327 -8.703 35.371 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.540 -7.646 35.086 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.436 -8.013 37.366 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.267 -9.277 36.916 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.782 -7.968 38.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.189 -5.697 36.490 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.527 -5.604 37.121 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.844 -5.289 35.398 1.00 0.00 H new ATOM 645 N HIS A 80 -18.070 -8.598 38.815 1.00 0.00 N ATOM 646 CA HIS A 80 -17.970 -9.786 39.720 1.00 0.00 C ATOM 647 C HIS A 80 -18.244 -11.071 38.905 1.00 0.00 C ATOM 648 O HIS A 80 -19.093 -11.063 38.037 1.00 0.00 O ATOM 649 CB HIS A 80 -19.018 -9.633 40.830 1.00 0.00 C ATOM 650 CG HIS A 80 -18.664 -10.509 41.998 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.377 -11.660 42.293 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.673 -10.428 42.944 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.810 -12.223 43.372 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.770 -11.513 43.808 1.00 0.00 N ATOM 0 H HIS A 80 -18.703 -7.867 39.139 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.974 -9.853 40.158 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.072 -8.592 41.149 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -20.004 -9.901 40.450 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.933 -9.644 43.007 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.154 -13.138 43.830 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.171 -11.722 44.607 1.00 0.00 H new ATOM 655 N PRO A 81 -17.515 -12.140 39.180 1.00 0.00 N ATOM 656 CA PRO A 81 -17.674 -13.437 38.442 1.00 0.00 C ATOM 657 C PRO A 81 -18.967 -14.157 38.843 1.00 0.00 C ATOM 658 O PRO A 81 -19.398 -15.079 38.176 1.00 0.00 O ATOM 659 CB PRO A 81 -16.442 -14.239 38.844 1.00 0.00 C ATOM 660 CG PRO A 81 -15.960 -13.675 40.167 1.00 0.00 C ATOM 661 CD PRO A 81 -16.456 -12.230 40.249 1.00 0.00 C ATOM 0 HA PRO A 81 -17.749 -13.298 37.364 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.685 -15.297 38.941 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.665 -14.159 38.084 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.347 -14.263 41.000 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.872 -13.713 40.228 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.865 -12.005 41.234 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.648 -11.521 40.069 1.00 0.00 H new ATOM 662 N ASP A 82 -19.596 -13.746 39.919 1.00 0.00 N ATOM 663 CA ASP A 82 -20.866 -14.407 40.352 1.00 0.00 C ATOM 664 C ASP A 82 -21.902 -14.337 39.221 1.00 0.00 C ATOM 665 O ASP A 82 -22.705 -15.235 39.054 1.00 0.00 O ATOM 666 CB ASP A 82 -21.415 -13.691 41.588 1.00 0.00 C ATOM 667 CG ASP A 82 -22.614 -14.466 42.135 1.00 0.00 C ATOM 668 OD1 ASP A 82 -23.643 -14.470 41.479 1.00 0.00 O ATOM 669 OD2 ASP A 82 -22.485 -15.043 43.204 1.00 0.00 O ATOM 0 H ASP A 82 -19.283 -12.980 40.516 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.664 -15.451 40.591 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.640 -13.613 42.351 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.712 -12.674 41.331 1.00 0.00 H new ATOM 670 N ASP A 83 -21.886 -13.278 38.444 1.00 0.00 N ATOM 671 CA ASP A 83 -22.868 -13.155 37.326 1.00 0.00 C ATOM 672 C ASP A 83 -22.136 -13.195 35.981 1.00 0.00 C ATOM 673 O ASP A 83 -22.696 -13.590 34.975 1.00 0.00 O ATOM 674 CB ASP A 83 -23.625 -11.832 37.457 1.00 0.00 C ATOM 675 CG ASP A 83 -24.857 -12.035 38.340 1.00 0.00 C ATOM 676 OD1 ASP A 83 -24.685 -12.424 39.484 1.00 0.00 O ATOM 677 OD2 ASP A 83 -25.952 -11.797 37.858 1.00 0.00 O ATOM 0 H ASP A 83 -21.236 -12.498 38.538 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.572 -13.986 37.374 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.976 -11.071 37.889 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.925 -11.473 36.472 1.00 0.00 H new ATOM 678 N ARG A 84 -20.892 -12.782 35.951 1.00 0.00 N ATOM 679 CA ARG A 84 -20.123 -12.788 34.669 1.00 0.00 C ATOM 680 C ARG A 84 -19.381 -14.123 34.495 1.00 0.00 C ATOM 681 O ARG A 84 -18.447 -14.215 33.719 1.00 0.00 O ATOM 682 CB ARG A 84 -19.111 -11.637 34.682 1.00 0.00 C ATOM 683 CG ARG A 84 -19.104 -10.937 33.320 1.00 0.00 C ATOM 684 CD ARG A 84 -18.584 -11.901 32.251 1.00 0.00 C ATOM 685 NE ARG A 84 -18.562 -11.214 30.930 1.00 0.00 N ATOM 686 CZ ARG A 84 -18.342 -11.899 29.841 1.00 0.00 C ATOM 687 NH1 ARG A 84 -17.301 -12.682 29.763 1.00 0.00 N ATOM 688 NH2 ARG A 84 -19.165 -11.802 28.833 1.00 0.00 N ATOM 0 H ARG A 84 -20.376 -12.440 36.762 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.817 -12.663 33.838 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -19.367 -10.924 35.466 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.116 -12.018 34.910 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -20.110 -10.604 33.066 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.475 -10.048 33.360 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -17.582 -12.243 32.511 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.220 -12.785 32.203 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.719 -10.208 30.876 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -16.660 -12.758 30.553 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -17.128 -13.218 28.912 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.979 -11.191 28.897 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -18.994 -12.337 27.982 1.00 0.00 H new ATOM 689 N SER A 85 -19.781 -15.156 35.201 1.00 0.00 N ATOM 690 CA SER A 85 -19.092 -16.474 35.063 1.00 0.00 C ATOM 691 C SER A 85 -19.773 -17.289 33.964 1.00 0.00 C ATOM 692 O SER A 85 -19.247 -17.443 32.876 1.00 0.00 O ATOM 693 CB SER A 85 -19.167 -17.232 36.390 1.00 0.00 C ATOM 694 OG SER A 85 -18.829 -18.597 36.174 1.00 0.00 O ATOM 0 H SER A 85 -20.555 -15.140 35.866 1.00 0.00 H new ATOM 0 HA SER A 85 -18.046 -16.314 34.800 1.00 0.00 H new ATOM 0 HB2 SER A 85 -18.485 -16.787 37.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.171 -17.156 36.809 1.00 0.00 H new ATOM 0 HG SER A 85 -18.875 -19.084 37.023 1.00 0.00 H new ATOM 695 N LYS A 86 -20.940 -17.813 34.240 1.00 0.00 N ATOM 696 CA LYS A 86 -21.666 -18.621 33.217 1.00 0.00 C ATOM 697 C LYS A 86 -23.151 -18.691 33.584 1.00 0.00 C ATOM 698 O LYS A 86 -23.611 -19.658 34.163 1.00 0.00 O ATOM 699 CB LYS A 86 -21.082 -20.036 33.176 1.00 0.00 C ATOM 700 CG LYS A 86 -19.848 -20.052 32.271 1.00 0.00 C ATOM 701 CD LYS A 86 -19.580 -21.482 31.799 1.00 0.00 C ATOM 702 CE LYS A 86 -18.083 -21.663 31.538 1.00 0.00 C ATOM 703 NZ LYS A 86 -17.727 -21.036 30.235 1.00 0.00 N ATOM 0 H LYS A 86 -21.422 -17.715 35.134 1.00 0.00 H new ATOM 0 HA LYS A 86 -21.555 -18.154 32.238 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -20.813 -20.359 34.182 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.828 -20.738 32.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.004 -19.398 31.413 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.983 -19.668 32.811 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.917 -22.194 32.553 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.146 -21.688 30.890 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.505 -21.208 32.343 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.831 -22.723 31.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.710 -21.159 30.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.269 -21.489 29.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.953 -20.021 30.265 1.00 0.00 H new ATOM 704 N ILE A 87 -23.900 -17.672 33.250 1.00 0.00 N ATOM 705 CA ILE A 87 -25.357 -17.667 33.574 1.00 0.00 C ATOM 706 C ILE A 87 -26.154 -18.111 32.346 1.00 0.00 C ATOM 707 O ILE A 87 -27.027 -18.953 32.434 1.00 0.00 O ATOM 708 CB ILE A 87 -25.787 -16.253 33.978 1.00 0.00 C ATOM 709 CG1 ILE A 87 -24.862 -15.721 35.084 1.00 0.00 C ATOM 710 CG2 ILE A 87 -27.233 -16.280 34.481 1.00 0.00 C ATOM 711 CD1 ILE A 87 -24.923 -16.628 36.322 1.00 0.00 C ATOM 0 H ILE A 87 -23.563 -16.840 32.765 1.00 0.00 H new ATOM 0 HA ILE A 87 -25.547 -18.354 34.399 1.00 0.00 H new ATOM 0 HB ILE A 87 -25.719 -15.596 33.111 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -23.838 -15.669 34.715 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -25.156 -14.707 35.355 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -27.537 -15.273 34.768 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -27.887 -16.645 33.689 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -27.306 -16.941 35.345 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -24.261 -16.235 37.094 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -25.945 -16.659 36.701 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -24.606 -17.635 36.051 1.00 0.00 H new ATOM 712 N ALA A 88 -25.857 -17.549 31.202 1.00 0.00 N ATOM 713 CA ALA A 88 -26.591 -17.931 29.960 1.00 0.00 C ATOM 714 C ALA A 88 -25.871 -19.096 29.279 1.00 0.00 C ATOM 715 O ALA A 88 -26.485 -20.064 28.874 1.00 0.00 O ATOM 716 CB ALA A 88 -26.639 -16.735 29.008 1.00 0.00 C ATOM 0 H ALA A 88 -25.135 -16.840 31.075 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.607 -18.232 30.217 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -27.175 -17.013 28.101 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -27.153 -15.905 29.493 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -25.624 -16.433 28.751 1.00 0.00 H new ATOM 717 N LYS A 89 -24.569 -19.008 29.153 1.00 0.00 N ATOM 718 CA LYS A 89 -23.792 -20.106 28.498 1.00 0.00 C ATOM 719 C LYS A 89 -24.286 -20.300 27.055 1.00 0.00 C ATOM 720 O LYS A 89 -25.149 -21.122 26.813 1.00 0.00 O ATOM 721 CB LYS A 89 -23.981 -21.408 29.282 1.00 0.00 C ATOM 722 CG LYS A 89 -22.732 -22.280 29.134 1.00 0.00 C ATOM 723 CD LYS A 89 -22.758 -22.985 27.777 1.00 0.00 C ATOM 724 CE LYS A 89 -21.573 -23.945 27.676 1.00 0.00 C ATOM 725 NZ LYS A 89 -20.372 -23.204 27.199 1.00 0.00 N ATOM 0 H LYS A 89 -24.009 -18.219 29.477 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.735 -19.840 28.486 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.161 -21.188 30.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.856 -21.943 28.914 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.835 -21.666 29.219 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.692 -23.016 29.937 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.693 -23.532 27.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.714 -22.250 26.973 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.373 -24.396 28.648 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.808 -24.758 26.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.566 -23.857 27.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.566 -22.794 26.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.145 -22.443 27.870 1.00 0.00 H new ATOM 726 N PRO A 90 -23.729 -19.543 26.127 1.00 0.00 N ATOM 727 CA PRO A 90 -24.101 -19.616 24.682 1.00 0.00 C ATOM 728 C PRO A 90 -23.336 -20.745 23.988 1.00 0.00 C ATOM 729 O PRO A 90 -22.121 -20.801 24.028 1.00 0.00 O ATOM 730 CB PRO A 90 -23.675 -18.257 24.139 1.00 0.00 C ATOM 731 CG PRO A 90 -22.584 -17.728 25.058 1.00 0.00 C ATOM 732 CD PRO A 90 -22.659 -18.514 26.372 1.00 0.00 C ATOM 0 HA PRO A 90 -25.159 -19.824 24.520 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -23.306 -18.349 23.117 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -24.522 -17.571 24.112 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -21.604 -17.848 24.596 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -22.722 -16.662 25.241 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -21.704 -18.982 26.611 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.915 -17.865 27.210 1.00 0.00 H new ATOM 733 N SER A 91 -24.041 -21.646 23.350 1.00 0.00 N ATOM 734 CA SER A 91 -23.366 -22.777 22.650 1.00 0.00 C ATOM 735 C SER A 91 -24.408 -23.607 21.899 1.00 0.00 C ATOM 736 O SER A 91 -25.034 -24.486 22.461 1.00 0.00 O ATOM 737 CB SER A 91 -22.653 -23.658 23.675 1.00 0.00 C ATOM 738 OG SER A 91 -21.806 -24.576 22.997 1.00 0.00 O ATOM 0 H SER A 91 -25.059 -21.645 23.285 1.00 0.00 H new ATOM 0 HA SER A 91 -22.637 -22.383 21.941 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.068 -23.041 24.357 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.383 -24.197 24.279 1.00 0.00 H new ATOM 0 HG SER A 91 -21.346 -25.142 23.652 1.00 0.00 H new ATOM 739 N GLU A 92 -24.596 -23.334 20.633 1.00 0.00 N ATOM 740 CA GLU A 92 -25.596 -24.103 19.835 1.00 0.00 C ATOM 741 C GLU A 92 -25.006 -25.460 19.449 1.00 0.00 C ATOM 742 O GLU A 92 -24.068 -25.541 18.677 1.00 0.00 O ATOM 743 CB GLU A 92 -25.948 -23.321 18.568 1.00 0.00 C ATOM 744 CG GLU A 92 -27.412 -23.572 18.203 1.00 0.00 C ATOM 745 CD GLU A 92 -28.310 -22.641 19.020 1.00 0.00 C ATOM 746 OE1 GLU A 92 -28.276 -21.447 18.772 1.00 0.00 O ATOM 747 OE2 GLU A 92 -29.017 -23.140 19.882 1.00 0.00 O ATOM 0 H GLU A 92 -24.098 -22.609 20.117 1.00 0.00 H new ATOM 0 HA GLU A 92 -26.496 -24.255 20.430 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -25.779 -22.256 18.727 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -25.300 -23.627 17.747 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -27.566 -23.401 17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -27.674 -24.612 18.400 1.00 0.00 H new ATOM 748 N THR A 93 -25.551 -26.525 19.981 1.00 0.00 N ATOM 749 CA THR A 93 -25.028 -27.883 19.650 1.00 0.00 C ATOM 750 C THR A 93 -26.100 -28.931 19.959 1.00 0.00 C ATOM 751 O THR A 93 -27.018 -28.685 20.719 1.00 0.00 O ATOM 752 CB THR A 93 -23.780 -28.169 20.489 1.00 0.00 C ATOM 753 OG1 THR A 93 -23.948 -27.614 21.787 1.00 0.00 O ATOM 754 CG2 THR A 93 -22.556 -27.542 19.817 1.00 0.00 C ATOM 0 H THR A 93 -26.337 -26.511 20.631 1.00 0.00 H new ATOM 0 HA THR A 93 -24.771 -27.925 18.591 1.00 0.00 H new ATOM 0 HB THR A 93 -23.634 -29.246 20.570 1.00 0.00 H new ATOM 0 HG1 THR A 93 -23.151 -27.797 22.327 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.668 -27.746 20.415 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.429 -27.968 18.822 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.698 -26.464 19.735 1.00 0.00 H new ATOM 755 N LEU A 94 -25.987 -30.097 19.375 1.00 0.00 N ATOM 756 CA LEU A 94 -26.994 -31.168 19.627 1.00 0.00 C ATOM 757 C LEU A 94 -26.357 -32.277 20.468 1.00 0.00 C ATOM 758 O LEU A 94 -26.869 -33.384 20.438 1.00 0.00 O ATOM 759 CB LEU A 94 -27.471 -31.747 18.287 1.00 0.00 C ATOM 760 CG LEU A 94 -28.793 -31.091 17.854 1.00 0.00 C ATOM 761 CD1 LEU A 94 -29.880 -31.370 18.894 1.00 0.00 C ATOM 762 CD2 LEU A 94 -28.600 -29.576 17.711 1.00 0.00 C ATOM 763 OXT LEU A 94 -25.369 -32.000 21.127 1.00 0.00 O ATOM 0 H LEU A 94 -25.237 -30.353 18.732 1.00 0.00 H new ATOM 0 HA LEU A 94 -27.846 -30.750 20.164 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -26.711 -31.584 17.523 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -27.606 -32.825 18.378 1.00 0.00 H new ATOM 0 HG LEU A 94 -29.097 -31.510 16.895 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -30.813 -30.902 18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -30.027 -32.446 18.987 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -29.575 -30.961 19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -29.540 -29.117 17.404 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -28.287 -29.157 18.667 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -27.836 -29.376 16.960 1.00 0.00 H new TER 764 LEU A 94