USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 581 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 38 SER OG : rot -122:sc= 0.526 USER MOD Set 1.2: A 49 SER OG : rot 135:sc= 0.585 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-5!) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 23 GLN : amide:sc=-0.00999 X(o=-0.01,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.501 K(o=-0.5,f=-2.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0509) USER MOD Single : A 32 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.42) USER MOD Single : A 35 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000299) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00906) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=-0.012) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 169:sc= -0.0747 (180deg=-0.217) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -57:sc= 0.00127 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.487 -3.462 7.121 1.00 0.00 N ATOM 2 CA GLY A 1 -30.873 -3.671 7.499 1.00 0.00 C ATOM 3 C GLY A 1 -31.132 -5.080 7.992 1.00 0.00 C ATOM 4 O GLY A 1 -30.253 -5.940 7.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.069 -2.727 7.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.958 -4.350 7.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.440 -3.159 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.145 -2.960 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.515 -3.465 6.643 1.00 0.00 H new ATOM 8 N SER A 2 -32.342 -5.318 8.488 1.00 0.00 N ATOM 9 CA SER A 2 -32.714 -6.632 9.000 1.00 0.00 C ATOM 10 C SER A 2 -32.404 -7.721 7.978 1.00 0.00 C ATOM 11 O SER A 2 -31.622 -8.634 8.244 1.00 0.00 O ATOM 12 CB SER A 2 -34.201 -6.662 9.359 1.00 0.00 C ATOM 13 OG SER A 2 -34.567 -7.914 9.911 1.00 0.00 O ATOM 0 H SER A 2 -33.082 -4.618 8.546 1.00 0.00 H new ATOM 0 HA SER A 2 -32.127 -6.823 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.422 -5.868 10.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.797 -6.465 8.468 1.00 0.00 H new ATOM 0 HG SER A 2 -35.521 -7.907 10.134 1.00 0.00 H new ATOM 19 N SER A 3 -33.023 -7.617 6.806 1.00 0.00 N ATOM 20 CA SER A 3 -32.818 -8.595 5.744 1.00 0.00 C ATOM 21 C SER A 3 -31.385 -8.537 5.222 1.00 0.00 C ATOM 22 O SER A 3 -30.672 -7.559 5.442 1.00 0.00 O ATOM 23 CB SER A 3 -33.800 -8.347 4.597 1.00 0.00 C ATOM 24 OG SER A 3 -33.373 -7.270 3.783 1.00 0.00 O ATOM 0 H SER A 3 -33.670 -6.865 6.568 1.00 0.00 H new ATOM 0 HA SER A 3 -32.996 -9.587 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.893 -9.249 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.789 -8.131 5.001 1.00 0.00 H new ATOM 0 HG SER A 3 -34.017 -7.133 3.057 1.00 0.00 H new ATOM 30 N GLY A 4 -30.971 -9.593 4.529 1.00 0.00 N ATOM 31 CA GLY A 4 -29.626 -9.644 3.986 1.00 0.00 C ATOM 32 C GLY A 4 -29.614 -9.873 2.488 1.00 0.00 C ATOM 33 O GLY A 4 -30.585 -10.374 1.921 1.00 0.00 O ATOM 0 H GLY A 4 -31.543 -10.415 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.111 -8.710 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.069 -10.442 4.477 1.00 0.00 H new ATOM 37 N SER A 5 -28.511 -9.504 1.844 1.00 0.00 N ATOM 38 CA SER A 5 -28.378 -9.667 0.401 1.00 0.00 C ATOM 39 C SER A 5 -26.915 -9.579 -0.023 1.00 0.00 C ATOM 40 O SER A 5 -26.068 -9.092 0.726 1.00 0.00 O ATOM 41 CB SER A 5 -29.198 -8.602 -0.331 1.00 0.00 C ATOM 42 OG SER A 5 -29.663 -9.086 -1.579 1.00 0.00 O ATOM 0 H SER A 5 -27.697 -9.090 2.299 1.00 0.00 H new ATOM 0 HA SER A 5 -28.757 -10.654 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.046 -8.304 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.588 -7.712 -0.487 1.00 0.00 H new ATOM 0 HG SER A 5 -30.185 -8.388 -2.026 1.00 0.00 H new ATOM 48 N SER A 6 -26.626 -10.056 -1.230 1.00 0.00 N ATOM 49 CA SER A 6 -25.265 -10.036 -1.754 1.00 0.00 C ATOM 50 C SER A 6 -24.598 -8.691 -1.482 1.00 0.00 C ATOM 51 O SER A 6 -23.434 -8.631 -1.090 1.00 0.00 O ATOM 52 CB SER A 6 -25.270 -10.321 -3.257 1.00 0.00 C ATOM 53 OG SER A 6 -25.566 -11.682 -3.517 1.00 0.00 O ATOM 0 H SER A 6 -27.316 -10.461 -1.863 1.00 0.00 H new ATOM 0 HA SER A 6 -24.695 -10.814 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.006 -9.685 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.298 -10.070 -3.681 1.00 0.00 H new ATOM 0 HG SER A 6 -25.565 -11.838 -4.485 1.00 0.00 H new ATOM 59 N GLY A 7 -25.347 -7.613 -1.693 1.00 0.00 N ATOM 60 CA GLY A 7 -24.812 -6.283 -1.467 1.00 0.00 C ATOM 61 C GLY A 7 -23.722 -5.920 -2.455 1.00 0.00 C ATOM 62 O GLY A 7 -23.125 -6.796 -3.080 1.00 0.00 O ATOM 0 H GLY A 7 -26.314 -7.637 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.619 -5.554 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.414 -6.222 -0.454 1.00 0.00 H new ATOM 66 N MET A 8 -23.463 -4.624 -2.599 1.00 0.00 N ATOM 67 CA MET A 8 -22.437 -4.147 -3.520 1.00 0.00 C ATOM 68 C MET A 8 -21.208 -3.661 -2.759 1.00 0.00 C ATOM 69 O MET A 8 -21.241 -2.648 -2.060 1.00 0.00 O ATOM 70 CB MET A 8 -22.990 -3.020 -4.394 1.00 0.00 C ATOM 71 CG MET A 8 -23.967 -3.497 -5.456 1.00 0.00 C ATOM 72 SD MET A 8 -23.155 -3.912 -7.011 1.00 0.00 S ATOM 73 CE MET A 8 -23.267 -2.349 -7.879 1.00 0.00 C ATOM 0 H MET A 8 -23.949 -3.886 -2.090 1.00 0.00 H new ATOM 0 HA MET A 8 -22.141 -4.979 -4.159 1.00 0.00 H new ATOM 0 HB2 MET A 8 -23.487 -2.288 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 8 -22.160 -2.508 -4.880 1.00 0.00 H new ATOM 0 HG2 MET A 8 -24.502 -4.371 -5.085 1.00 0.00 H new ATOM 0 HG3 MET A 8 -24.711 -2.720 -5.635 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.806 -2.445 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 8 -24.315 -2.071 -7.995 1.00 0.00 H new ATOM 0 HE3 MET A 8 -22.748 -1.578 -7.309 1.00 0.00 H new ATOM 83 N PRO A 9 -20.096 -4.398 -2.897 1.00 0.00 N ATOM 84 CA PRO A 9 -18.835 -4.060 -2.230 1.00 0.00 C ATOM 85 C PRO A 9 -18.192 -2.804 -2.808 1.00 0.00 C ATOM 86 O PRO A 9 -18.423 -2.452 -3.965 1.00 0.00 O ATOM 87 CB PRO A 9 -17.954 -5.283 -2.497 1.00 0.00 C ATOM 88 CG PRO A 9 -18.503 -5.881 -3.746 1.00 0.00 C ATOM 89 CD PRO A 9 -19.984 -5.618 -3.715 1.00 0.00 C ATOM 0 HA PRO A 9 -18.979 -3.844 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.909 -4.999 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.996 -5.990 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.045 -5.432 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.297 -6.951 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.387 -5.469 -4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.531 -6.450 -3.272 1.00 0.00 H new ATOM 97 N CYS A 10 -17.382 -2.132 -1.996 1.00 0.00 N ATOM 98 CA CYS A 10 -16.705 -0.915 -2.427 1.00 0.00 C ATOM 99 C CYS A 10 -15.473 -1.245 -3.264 1.00 0.00 C ATOM 100 O CYS A 10 -14.529 -1.869 -2.779 1.00 0.00 O ATOM 101 CB CYS A 10 -16.301 -0.075 -1.213 1.00 0.00 C ATOM 102 SG CYS A 10 -15.795 1.626 -1.622 1.00 0.00 S ATOM 0 H CYS A 10 -17.179 -2.410 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 10 -17.398 -0.342 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.139 -0.036 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -15.480 -0.573 -0.697 1.00 0.00 H new ATOM 107 N ASP A 11 -15.490 -0.821 -4.523 1.00 0.00 N ATOM 108 CA ASP A 11 -14.374 -1.070 -5.428 1.00 0.00 C ATOM 109 C ASP A 11 -13.042 -0.790 -4.739 1.00 0.00 C ATOM 110 O ASP A 11 -12.087 -1.556 -4.876 1.00 0.00 O ATOM 111 CB ASP A 11 -14.504 -0.205 -6.683 1.00 0.00 C ATOM 112 CG ASP A 11 -13.325 -0.366 -7.622 1.00 0.00 C ATOM 113 OD1 ASP A 11 -12.836 -1.505 -7.770 1.00 0.00 O ATOM 114 OD2 ASP A 11 -12.891 0.648 -8.210 1.00 0.00 O ATOM 0 H ASP A 11 -16.264 -0.304 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.400 -2.121 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.422 -0.468 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.592 0.842 -6.392 1.00 0.00 H new ATOM 119 N PHE A 12 -12.985 0.312 -3.998 1.00 0.00 N ATOM 120 CA PHE A 12 -11.769 0.694 -3.288 1.00 0.00 C ATOM 121 C PHE A 12 -11.292 -0.436 -2.380 1.00 0.00 C ATOM 122 O PHE A 12 -12.038 -0.958 -1.552 1.00 0.00 O ATOM 123 CB PHE A 12 -12.012 1.959 -2.463 1.00 0.00 C ATOM 124 CG PHE A 12 -10.787 2.813 -2.301 1.00 0.00 C ATOM 125 CD1 PHE A 12 -9.644 2.303 -1.706 1.00 0.00 C ATOM 126 CD2 PHE A 12 -10.778 4.125 -2.744 1.00 0.00 C ATOM 127 CE1 PHE A 12 -8.516 3.087 -1.555 1.00 0.00 C ATOM 128 CE2 PHE A 12 -9.652 4.914 -2.597 1.00 0.00 C ATOM 129 CZ PHE A 12 -8.520 4.394 -2.002 1.00 0.00 C ATOM 0 H PHE A 12 -13.766 0.956 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.993 0.894 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.796 2.548 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.380 1.675 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.635 1.281 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.661 4.537 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.632 2.678 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.658 5.936 -2.947 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.639 5.008 -1.886 1.00 0.00 H new ATOM 139 N PRO A 13 -10.018 -0.823 -2.539 1.00 0.00 N ATOM 140 CA PRO A 13 -9.411 -1.895 -1.743 1.00 0.00 C ATOM 141 C PRO A 13 -9.209 -1.491 -0.287 1.00 0.00 C ATOM 142 O PRO A 13 -9.029 -0.314 0.023 1.00 0.00 O ATOM 143 CB PRO A 13 -8.060 -2.123 -2.427 1.00 0.00 C ATOM 144 CG PRO A 13 -7.748 -0.826 -3.091 1.00 0.00 C ATOM 145 CD PRO A 13 -9.071 -0.245 -3.508 1.00 0.00 C ATOM 0 HA PRO A 13 -10.041 -2.784 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.291 -2.393 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.115 -2.936 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.224 -0.155 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.098 -0.975 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.064 0.844 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.326 -0.520 -4.532 1.00 0.00 H new ATOM 153 N GLY A 14 -9.241 -2.477 0.605 1.00 0.00 N ATOM 154 CA GLY A 14 -9.060 -2.204 2.019 1.00 0.00 C ATOM 155 C GLY A 14 -10.313 -1.649 2.668 1.00 0.00 C ATOM 156 O GLY A 14 -10.713 -2.093 3.744 1.00 0.00 O ATOM 0 H GLY A 14 -9.389 -3.459 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.767 -3.122 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.243 -1.494 2.147 1.00 0.00 H new ATOM 160 N CYS A 15 -10.934 -0.673 2.013 1.00 0.00 N ATOM 161 CA CYS A 15 -12.147 -0.055 2.532 1.00 0.00 C ATOM 162 C CYS A 15 -13.032 -1.088 3.223 1.00 0.00 C ATOM 163 O CYS A 15 -13.358 -0.953 4.402 1.00 0.00 O ATOM 164 CB CYS A 15 -12.924 0.622 1.401 1.00 0.00 C ATOM 165 SG CYS A 15 -14.537 1.300 1.908 1.00 0.00 S ATOM 0 H CYS A 15 -10.616 -0.294 1.121 1.00 0.00 H new ATOM 0 HA CYS A 15 -11.856 0.697 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.317 1.428 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.081 -0.100 0.600 1.00 0.00 H new ATOM 170 N GLY A 16 -13.417 -2.122 2.480 1.00 0.00 N ATOM 171 CA GLY A 16 -14.260 -3.163 3.038 1.00 0.00 C ATOM 172 C GLY A 16 -15.660 -2.672 3.348 1.00 0.00 C ATOM 173 O GLY A 16 -16.195 -2.940 4.424 1.00 0.00 O ATOM 0 H GLY A 16 -13.160 -2.257 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.317 -3.995 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.803 -3.547 3.950 1.00 0.00 H new ATOM 177 N ARG A 17 -16.254 -1.948 2.405 1.00 0.00 N ATOM 178 CA ARG A 17 -17.599 -1.416 2.584 1.00 0.00 C ATOM 179 C ARG A 17 -18.569 -2.042 1.587 1.00 0.00 C ATOM 180 O ARG A 17 -18.258 -2.176 0.403 1.00 0.00 O ATOM 181 CB ARG A 17 -17.594 0.105 2.421 1.00 0.00 C ATOM 182 CG ARG A 17 -17.121 0.850 3.658 1.00 0.00 C ATOM 183 CD ARG A 17 -18.278 1.176 4.589 1.00 0.00 C ATOM 184 NE ARG A 17 -17.861 1.209 5.989 1.00 0.00 N ATOM 185 CZ ARG A 17 -18.642 1.631 6.978 1.00 0.00 C ATOM 186 NH1 ARG A 17 -19.873 2.051 6.722 1.00 0.00 N ATOM 187 NH2 ARG A 17 -18.191 1.631 8.226 1.00 0.00 N ATOM 0 H ARG A 17 -15.825 -1.717 1.509 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.930 -1.666 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.952 0.369 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.601 0.438 2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.385 0.246 4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.622 1.772 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.703 2.141 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.066 0.433 4.463 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.920 0.891 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.223 2.051 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.470 2.374 7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.245 1.307 8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.791 1.955 8.985 1.00 0.00 H new ATOM 201 N ILE A 18 -19.745 -2.425 2.074 1.00 0.00 N ATOM 202 CA ILE A 18 -20.760 -3.037 1.226 1.00 0.00 C ATOM 203 C ILE A 18 -22.102 -2.328 1.376 1.00 0.00 C ATOM 204 O ILE A 18 -22.520 -1.996 2.485 1.00 0.00 O ATOM 205 CB ILE A 18 -20.941 -4.531 1.553 1.00 0.00 C ATOM 206 CG1 ILE A 18 -19.622 -5.281 1.363 1.00 0.00 C ATOM 207 CG2 ILE A 18 -22.031 -5.136 0.681 1.00 0.00 C ATOM 208 CD1 ILE A 18 -19.675 -6.723 1.818 1.00 0.00 C ATOM 0 H ILE A 18 -20.018 -2.322 3.051 1.00 0.00 H new ATOM 0 HA ILE A 18 -20.413 -2.939 0.197 1.00 0.00 H new ATOM 0 HB ILE A 18 -21.243 -4.625 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.345 -5.251 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -18.837 -4.763 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -22.147 -6.192 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -22.972 -4.617 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -21.756 -5.033 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -18.705 -7.192 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.921 -6.761 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -20.437 -7.256 1.250 1.00 0.00 H new ATOM 220 N PHE A 19 -22.774 -2.102 0.252 1.00 0.00 N ATOM 221 CA PHE A 19 -24.070 -1.433 0.258 1.00 0.00 C ATOM 222 C PHE A 19 -25.024 -2.088 -0.736 1.00 0.00 C ATOM 223 O PHE A 19 -24.669 -2.323 -1.891 1.00 0.00 O ATOM 224 CB PHE A 19 -23.904 0.050 -0.079 1.00 0.00 C ATOM 225 CG PHE A 19 -22.684 0.672 0.539 1.00 0.00 C ATOM 226 CD1 PHE A 19 -21.429 0.461 -0.009 1.00 0.00 C ATOM 227 CD2 PHE A 19 -22.793 1.469 1.668 1.00 0.00 C ATOM 228 CE1 PHE A 19 -20.306 1.032 0.559 1.00 0.00 C ATOM 229 CE2 PHE A 19 -21.673 2.043 2.239 1.00 0.00 C ATOM 230 CZ PHE A 19 -20.428 1.825 1.683 1.00 0.00 C ATOM 0 H PHE A 19 -22.443 -2.372 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 19 -24.494 -1.526 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -23.852 0.165 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -24.788 0.592 0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -21.327 -0.156 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -23.764 1.643 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -19.333 0.858 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.771 2.661 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.551 2.274 2.126 1.00 0.00 H new ATOM 240 N SER A 20 -26.237 -2.381 -0.278 1.00 0.00 N ATOM 241 CA SER A 20 -27.242 -3.013 -1.125 1.00 0.00 C ATOM 242 C SER A 20 -27.623 -2.102 -2.288 1.00 0.00 C ATOM 243 O SER A 20 -27.496 -2.477 -3.452 1.00 0.00 O ATOM 244 CB SER A 20 -28.486 -3.359 -0.304 1.00 0.00 C ATOM 245 OG SER A 20 -28.303 -4.567 0.414 1.00 0.00 O ATOM 0 H SER A 20 -26.548 -2.191 0.675 1.00 0.00 H new ATOM 0 HA SER A 20 -26.816 -3.931 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 -28.704 -2.548 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 -29.348 -3.452 -0.965 1.00 0.00 H new ATOM 0 HG SER A 20 -29.111 -4.765 0.932 1.00 0.00 H new ATOM 251 N ASN A 21 -28.093 -0.902 -1.961 1.00 0.00 N ATOM 252 CA ASN A 21 -28.494 0.064 -2.978 1.00 0.00 C ATOM 253 C ASN A 21 -27.283 0.813 -3.525 1.00 0.00 C ATOM 254 O ASN A 21 -26.575 1.495 -2.783 1.00 0.00 O ATOM 255 CB ASN A 21 -29.503 1.057 -2.398 1.00 0.00 C ATOM 256 CG ASN A 21 -30.639 0.367 -1.668 1.00 0.00 C ATOM 257 OD1 ASN A 21 -31.225 -0.591 -2.173 1.00 0.00 O ATOM 258 ND2 ASN A 21 -30.957 0.853 -0.474 1.00 0.00 N ATOM 0 H ASN A 21 -28.205 -0.576 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 21 -28.961 -0.482 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -28.991 1.732 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -29.910 1.669 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -31.714 0.431 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -30.444 1.649 -0.094 1.00 0.00 H new ATOM 265 N ARG A 22 -27.051 0.682 -4.827 1.00 0.00 N ATOM 266 CA ARG A 22 -25.925 1.346 -5.473 1.00 0.00 C ATOM 267 C ARG A 22 -25.873 2.822 -5.092 1.00 0.00 C ATOM 268 O ARG A 22 -24.819 3.341 -4.725 1.00 0.00 O ATOM 269 CB ARG A 22 -26.026 1.203 -6.993 1.00 0.00 C ATOM 270 CG ARG A 22 -24.715 1.465 -7.717 1.00 0.00 C ATOM 271 CD ARG A 22 -24.571 2.930 -8.096 1.00 0.00 C ATOM 272 NE ARG A 22 -23.452 3.152 -9.008 1.00 0.00 N ATOM 273 CZ ARG A 22 -22.195 3.306 -8.605 1.00 0.00 C ATOM 274 NH1 ARG A 22 -21.900 3.261 -7.313 1.00 0.00 N ATOM 275 NH2 ARG A 22 -21.231 3.504 -9.495 1.00 0.00 N ATOM 0 H ARG A 22 -27.628 0.122 -5.455 1.00 0.00 H new ATOM 0 HA ARG A 22 -25.007 0.868 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -26.369 0.197 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -26.782 1.895 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -23.881 1.169 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -24.665 0.849 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -25.493 3.276 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -24.427 3.525 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.646 3.191 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.639 3.108 -6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.935 3.379 -7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.454 3.538 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.267 3.622 -9.184 1.00 0.00 H new ATOM 289 N GLN A 23 -27.017 3.492 -5.183 1.00 0.00 N ATOM 290 CA GLN A 23 -27.101 4.909 -4.849 1.00 0.00 C ATOM 291 C GLN A 23 -26.235 5.234 -3.636 1.00 0.00 C ATOM 292 O GLN A 23 -25.461 6.192 -3.652 1.00 0.00 O ATOM 293 CB GLN A 23 -28.552 5.305 -4.575 1.00 0.00 C ATOM 294 CG GLN A 23 -28.856 6.761 -4.890 1.00 0.00 C ATOM 295 CD GLN A 23 -29.234 6.977 -6.343 1.00 0.00 C ATOM 296 OE1 GLN A 23 -28.483 7.582 -7.108 1.00 0.00 O ATOM 297 NE2 GLN A 23 -30.403 6.481 -6.730 1.00 0.00 N ATOM 0 H GLN A 23 -27.898 3.077 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 23 -26.731 5.480 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -29.211 4.669 -5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -28.780 5.114 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -29.670 7.105 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -27.984 7.370 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -30.994 5.986 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -30.711 6.595 -7.696 1.00 0.00 H new ATOM 306 N TYR A 24 -26.370 4.432 -2.586 1.00 0.00 N ATOM 307 CA TYR A 24 -25.603 4.636 -1.364 1.00 0.00 C ATOM 308 C TYR A 24 -24.109 4.465 -1.623 1.00 0.00 C ATOM 309 O TYR A 24 -23.295 5.287 -1.201 1.00 0.00 O ATOM 310 CB TYR A 24 -26.059 3.658 -0.280 1.00 0.00 C ATOM 311 CG TYR A 24 -27.168 4.197 0.594 1.00 0.00 C ATOM 312 CD1 TYR A 24 -28.484 4.216 0.148 1.00 0.00 C ATOM 313 CD2 TYR A 24 -26.901 4.686 1.867 1.00 0.00 C ATOM 314 CE1 TYR A 24 -29.501 4.708 0.943 1.00 0.00 C ATOM 315 CE2 TYR A 24 -27.912 5.178 2.670 1.00 0.00 C ATOM 316 CZ TYR A 24 -29.210 5.188 2.203 1.00 0.00 C ATOM 317 OH TYR A 24 -30.220 5.678 2.999 1.00 0.00 O ATOM 0 H TYR A 24 -27.004 3.634 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 24 -25.780 5.656 -1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -26.396 2.736 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -25.206 3.401 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -28.716 3.840 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -25.886 4.681 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -30.518 4.717 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -27.687 5.553 3.658 1.00 0.00 H new ATOM 0 HH TYR A 24 -29.847 5.975 3.855 1.00 0.00 H new ATOM 327 N LEU A 25 -23.756 3.391 -2.321 1.00 0.00 N ATOM 328 CA LEU A 25 -22.361 3.110 -2.640 1.00 0.00 C ATOM 329 C LEU A 25 -21.673 4.346 -3.210 1.00 0.00 C ATOM 330 O LEU A 25 -20.643 4.786 -2.701 1.00 0.00 O ATOM 331 CB LEU A 25 -22.267 1.954 -3.637 1.00 0.00 C ATOM 332 CG LEU A 25 -20.905 1.747 -4.300 1.00 0.00 C ATOM 333 CD1 LEU A 25 -19.883 1.267 -3.281 1.00 0.00 C ATOM 334 CD2 LEU A 25 -21.017 0.760 -5.453 1.00 0.00 C ATOM 0 H LEU A 25 -24.417 2.700 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 25 -21.853 2.827 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -22.541 1.033 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -23.009 2.115 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.567 2.703 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.920 1.125 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -19.782 2.010 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -20.214 0.322 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -20.038 0.625 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -21.377 -0.198 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -21.716 1.145 -6.195 1.00 0.00 H new ATOM 346 N ASN A 26 -22.250 4.902 -4.270 1.00 0.00 N ATOM 347 CA ASN A 26 -21.693 6.089 -4.909 1.00 0.00 C ATOM 348 C ASN A 26 -21.511 7.216 -3.898 1.00 0.00 C ATOM 349 O ASN A 26 -20.420 7.770 -3.760 1.00 0.00 O ATOM 350 CB ASN A 26 -22.602 6.553 -6.050 1.00 0.00 C ATOM 351 CG ASN A 26 -21.950 7.617 -6.911 1.00 0.00 C ATOM 352 OD1 ASN A 26 -21.143 8.413 -6.430 1.00 0.00 O ATOM 353 ND2 ASN A 26 -22.299 7.637 -8.192 1.00 0.00 N ATOM 0 H ASN A 26 -23.103 4.550 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 26 -20.716 5.828 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -22.866 5.697 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -23.531 6.944 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.894 8.331 -8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -22.972 6.958 -8.548 1.00 0.00 H new ATOM 360 N HIS A 27 -22.586 7.551 -3.192 1.00 0.00 N ATOM 361 CA HIS A 27 -22.545 8.611 -2.192 1.00 0.00 C ATOM 362 C HIS A 27 -21.435 8.357 -1.176 1.00 0.00 C ATOM 363 O HIS A 27 -20.724 9.279 -0.774 1.00 0.00 O ATOM 364 CB HIS A 27 -23.891 8.720 -1.477 1.00 0.00 C ATOM 365 CG HIS A 27 -24.139 10.065 -0.867 1.00 0.00 C ATOM 366 ND1 HIS A 27 -24.001 10.317 0.482 1.00 0.00 N ATOM 367 CD2 HIS A 27 -24.517 11.237 -1.430 1.00 0.00 C ATOM 368 CE1 HIS A 27 -24.284 11.584 0.722 1.00 0.00 C ATOM 369 NE2 HIS A 27 -24.600 12.165 -0.421 1.00 0.00 N ATOM 0 H HIS A 27 -23.497 7.103 -3.294 1.00 0.00 H new ATOM 0 HA HIS A 27 -22.337 9.551 -2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -24.689 8.499 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -23.940 7.961 -0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -24.716 11.410 -2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.261 12.064 1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -24.863 13.144 -0.536 1.00 0.00 H new ATOM 377 N HIS A 28 -21.292 7.101 -0.765 1.00 0.00 N ATOM 378 CA HIS A 28 -20.268 6.726 0.204 1.00 0.00 C ATOM 379 C HIS A 28 -18.882 7.134 -0.285 1.00 0.00 C ATOM 380 O HIS A 28 -18.093 7.712 0.464 1.00 0.00 O ATOM 381 CB HIS A 28 -20.308 5.220 0.462 1.00 0.00 C ATOM 382 CG HIS A 28 -18.983 4.645 0.860 1.00 0.00 C ATOM 383 ND1 HIS A 28 -18.484 4.720 2.143 1.00 0.00 N ATOM 384 CD2 HIS A 28 -18.053 3.980 0.135 1.00 0.00 C ATOM 385 CE1 HIS A 28 -17.304 4.129 2.190 1.00 0.00 C ATOM 386 NE2 HIS A 28 -17.020 3.671 0.984 1.00 0.00 N ATOM 0 H HIS A 28 -21.872 6.326 -1.087 1.00 0.00 H new ATOM 0 HA HIS A 28 -20.474 7.252 1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.035 5.013 1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.659 4.715 -0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -18.953 5.163 2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.113 3.738 -0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.678 4.036 3.065 1.00 0.00 H new ATOM 394 N LYS A 29 -18.590 6.829 -1.545 1.00 0.00 N ATOM 395 CA LYS A 29 -17.300 7.163 -2.135 1.00 0.00 C ATOM 396 C LYS A 29 -17.156 8.671 -2.311 1.00 0.00 C ATOM 397 O LYS A 29 -16.104 9.243 -2.028 1.00 0.00 O ATOM 398 CB LYS A 29 -17.137 6.463 -3.486 1.00 0.00 C ATOM 399 CG LYS A 29 -17.302 4.955 -3.413 1.00 0.00 C ATOM 400 CD LYS A 29 -17.675 4.369 -4.765 1.00 0.00 C ATOM 401 CE LYS A 29 -17.137 2.956 -4.928 1.00 0.00 C ATOM 402 NZ LYS A 29 -17.278 2.467 -6.327 1.00 0.00 N ATOM 0 H LYS A 29 -19.231 6.350 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.519 6.818 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.869 6.867 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.150 6.693 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.374 4.503 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.072 4.707 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.760 4.361 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.281 5.003 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.086 2.932 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.669 2.285 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.900 1.501 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.283 2.466 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.750 3.093 -6.968 1.00 0.00 H new ATOM 416 N LYS A 30 -18.222 9.311 -2.780 1.00 0.00 N ATOM 417 CA LYS A 30 -18.217 10.754 -2.992 1.00 0.00 C ATOM 418 C LYS A 30 -18.002 11.496 -1.677 1.00 0.00 C ATOM 419 O LYS A 30 -17.502 12.621 -1.662 1.00 0.00 O ATOM 420 CB LYS A 30 -19.534 11.201 -3.632 1.00 0.00 C ATOM 421 CG LYS A 30 -19.417 12.491 -4.425 1.00 0.00 C ATOM 422 CD LYS A 30 -20.729 13.256 -4.441 1.00 0.00 C ATOM 423 CE LYS A 30 -20.618 14.537 -5.253 1.00 0.00 C ATOM 424 NZ LYS A 30 -19.737 15.539 -4.591 1.00 0.00 N ATOM 0 H LYS A 30 -19.101 8.853 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.393 10.994 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.895 10.411 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.282 11.331 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.636 13.116 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.114 12.265 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -21.514 12.626 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.024 13.496 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.225 14.306 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -21.611 14.964 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.794 16.443 -5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.046 15.677 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.755 15.197 -4.600 1.00 0.00 H new ATOM 438 N TYR A 31 -18.381 10.859 -0.574 1.00 0.00 N ATOM 439 CA TYR A 31 -18.230 11.460 0.746 1.00 0.00 C ATOM 440 C TYR A 31 -16.965 10.955 1.433 1.00 0.00 C ATOM 441 O TYR A 31 -16.014 11.708 1.636 1.00 0.00 O ATOM 442 CB TYR A 31 -19.452 11.152 1.612 1.00 0.00 C ATOM 443 CG TYR A 31 -20.561 12.172 1.480 1.00 0.00 C ATOM 444 CD1 TYR A 31 -21.057 12.531 0.233 1.00 0.00 C ATOM 445 CD2 TYR A 31 -21.112 12.777 2.603 1.00 0.00 C ATOM 446 CE1 TYR A 31 -22.069 13.463 0.108 1.00 0.00 C ATOM 447 CE2 TYR A 31 -22.126 13.709 2.487 1.00 0.00 C ATOM 448 CZ TYR A 31 -22.600 14.048 1.238 1.00 0.00 C ATOM 449 OH TYR A 31 -23.609 14.976 1.117 1.00 0.00 O ATOM 0 H TYR A 31 -18.795 9.927 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 31 -18.146 12.539 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -19.840 10.170 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -19.143 11.097 2.656 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -20.644 12.074 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -20.742 12.515 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -22.442 13.732 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -22.545 14.169 3.370 1.00 0.00 H new ATOM 0 HH TYR A 31 -23.872 15.291 2.007 1.00 0.00 H new ATOM 459 N GLN A 32 -16.964 9.674 1.787 1.00 0.00 N ATOM 460 CA GLN A 32 -15.816 9.066 2.451 1.00 0.00 C ATOM 461 C GLN A 32 -14.578 9.126 1.563 1.00 0.00 C ATOM 462 O GLN A 32 -13.538 9.648 1.965 1.00 0.00 O ATOM 463 CB GLN A 32 -16.124 7.614 2.821 1.00 0.00 C ATOM 464 CG GLN A 32 -17.024 7.473 4.038 1.00 0.00 C ATOM 465 CD GLN A 32 -16.550 8.305 5.213 1.00 0.00 C ATOM 466 OE1 GLN A 32 -17.301 9.115 5.758 1.00 0.00 O ATOM 467 NE2 GLN A 32 -15.298 8.110 5.611 1.00 0.00 N ATOM 0 H GLN A 32 -17.744 9.037 1.626 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.614 9.630 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.598 7.124 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.187 7.090 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.038 7.771 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.067 6.425 4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.710 7.429 5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.924 8.642 6.397 1.00 0.00 H new ATOM 476 N HIS A 33 -14.698 8.589 0.353 1.00 0.00 N ATOM 477 CA HIS A 33 -13.588 8.581 -0.593 1.00 0.00 C ATOM 478 C HIS A 33 -13.487 9.918 -1.323 1.00 0.00 C ATOM 479 O HIS A 33 -12.844 10.018 -2.369 1.00 0.00 O ATOM 480 CB HIS A 33 -13.759 7.447 -1.604 1.00 0.00 C ATOM 481 CG HIS A 33 -13.607 6.083 -1.005 1.00 0.00 C ATOM 482 ND1 HIS A 33 -12.395 5.435 -0.906 1.00 0.00 N ATOM 483 CD2 HIS A 33 -14.525 5.244 -0.470 1.00 0.00 C ATOM 484 CE1 HIS A 33 -12.573 4.256 -0.338 1.00 0.00 C ATOM 485 NE2 HIS A 33 -13.857 4.116 -0.063 1.00 0.00 N ATOM 0 H HIS A 33 -15.552 8.154 0.005 1.00 0.00 H new ATOM 0 HA HIS A 33 -12.667 8.422 -0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.745 7.526 -2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.026 7.568 -2.401 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -11.500 5.808 -1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -15.585 5.428 -0.380 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.800 3.530 -0.133 1.00 0.00 H new ATOM 493 N ILE A 34 -14.125 10.941 -0.765 1.00 0.00 N ATOM 494 CA ILE A 34 -14.106 12.270 -1.362 1.00 0.00 C ATOM 495 C ILE A 34 -12.678 12.727 -1.641 1.00 0.00 C ATOM 496 O ILE A 34 -11.744 12.349 -0.933 1.00 0.00 O ATOM 497 CB ILE A 34 -14.797 13.305 -0.454 1.00 0.00 C ATOM 498 CG1 ILE A 34 -14.795 14.682 -1.121 1.00 0.00 C ATOM 499 CG2 ILE A 34 -14.107 13.365 0.900 1.00 0.00 C ATOM 500 CD1 ILE A 34 -15.691 14.766 -2.337 1.00 0.00 C ATOM 0 H ILE A 34 -14.662 10.875 0.100 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.653 12.202 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.832 12.999 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.112 15.429 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.775 14.934 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.606 14.101 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.155 12.386 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.064 13.652 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.640 15.770 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.361 14.043 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.719 14.546 -2.048 1.00 0.00 H new ATOM 512 N HIS A 35 -12.516 13.546 -2.675 1.00 0.00 N ATOM 513 CA HIS A 35 -11.201 14.058 -3.047 1.00 0.00 C ATOM 514 C HIS A 35 -10.779 15.193 -2.119 1.00 0.00 C ATOM 515 O HIS A 35 -11.316 16.298 -2.192 1.00 0.00 O ATOM 516 CB HIS A 35 -11.211 14.544 -4.496 1.00 0.00 C ATOM 517 CG HIS A 35 -9.844 14.801 -5.051 1.00 0.00 C ATOM 518 ND1 HIS A 35 -9.585 15.770 -5.996 1.00 0.00 N ATOM 519 CD2 HIS A 35 -8.655 14.209 -4.786 1.00 0.00 C ATOM 520 CE1 HIS A 35 -8.297 15.762 -6.291 1.00 0.00 C ATOM 521 NE2 HIS A 35 -7.710 14.824 -5.569 1.00 0.00 N ATOM 0 H HIS A 35 -13.278 13.870 -3.270 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.480 13.246 -2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -11.712 13.801 -5.116 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -11.798 15.460 -4.559 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.482 13.403 -4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.807 16.412 -7.001 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.716 14.594 -5.590 1.00 0.00 H new ATOM 529 N GLN A 36 -9.815 14.912 -1.248 1.00 0.00 N ATOM 530 CA GLN A 36 -9.323 15.909 -0.306 1.00 0.00 C ATOM 531 C GLN A 36 -7.822 16.122 -0.473 1.00 0.00 C ATOM 532 O GLN A 36 -7.137 15.319 -1.107 1.00 0.00 O ATOM 533 CB GLN A 36 -9.633 15.483 1.130 1.00 0.00 C ATOM 534 CG GLN A 36 -9.851 16.651 2.078 1.00 0.00 C ATOM 535 CD GLN A 36 -10.784 17.700 1.507 1.00 0.00 C ATOM 536 OE1 GLN A 36 -10.343 18.669 0.889 1.00 0.00 O ATOM 537 NE2 GLN A 36 -12.083 17.511 1.709 1.00 0.00 N ATOM 0 H GLN A 36 -9.360 14.002 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.831 16.851 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.524 14.855 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.812 14.871 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.260 16.280 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.890 17.111 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.405 16.693 2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.759 18.183 1.346 1.00 0.00 H new ATOM 546 N LYS A 37 -7.316 17.209 0.099 1.00 0.00 N ATOM 547 CA LYS A 37 -5.895 17.528 0.015 1.00 0.00 C ATOM 548 C LYS A 37 -5.046 16.370 0.529 1.00 0.00 C ATOM 549 O LYS A 37 -5.161 15.970 1.688 1.00 0.00 O ATOM 550 CB LYS A 37 -5.588 18.795 0.817 1.00 0.00 C ATOM 551 CG LYS A 37 -6.401 20.002 0.382 1.00 0.00 C ATOM 552 CD LYS A 37 -5.700 20.779 -0.719 1.00 0.00 C ATOM 553 CE LYS A 37 -6.586 21.885 -1.272 1.00 0.00 C ATOM 554 NZ LYS A 37 -6.795 22.976 -0.280 1.00 0.00 N ATOM 0 H LYS A 37 -7.869 17.885 0.626 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.648 17.699 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.777 18.601 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.528 19.028 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.380 19.675 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.571 20.655 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.777 21.210 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.420 20.099 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.133 22.296 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.550 21.467 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.390 23.718 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.266 22.592 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.876 23.381 -0.010 1.00 0.00 H new ATOM 568 N SER A 38 -4.193 15.836 -0.339 1.00 0.00 N ATOM 569 CA SER A 38 -3.327 14.722 0.027 1.00 0.00 C ATOM 570 C SER A 38 -2.054 14.724 -0.815 1.00 0.00 C ATOM 571 O SER A 38 -2.022 15.284 -1.911 1.00 0.00 O ATOM 572 CB SER A 38 -4.065 13.394 -0.149 1.00 0.00 C ATOM 573 OG SER A 38 -4.252 13.092 -1.521 1.00 0.00 O ATOM 0 H SER A 38 -4.083 16.157 -1.301 1.00 0.00 H new ATOM 0 HA SER A 38 -3.050 14.839 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.499 12.594 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.032 13.443 0.351 1.00 0.00 H new ATOM 0 HG SER A 38 -5.209 12.985 -1.705 1.00 0.00 H new ATOM 579 N PHE A 39 -1.006 14.094 -0.294 1.00 0.00 N ATOM 580 CA PHE A 39 0.270 14.024 -0.996 1.00 0.00 C ATOM 581 C PHE A 39 0.133 13.235 -2.295 1.00 0.00 C ATOM 582 O PHE A 39 -0.069 12.021 -2.278 1.00 0.00 O ATOM 583 CB PHE A 39 1.332 13.379 -0.104 1.00 0.00 C ATOM 584 CG PHE A 39 2.724 13.875 -0.374 1.00 0.00 C ATOM 585 CD1 PHE A 39 2.987 15.234 -0.449 1.00 0.00 C ATOM 586 CD2 PHE A 39 3.769 12.984 -0.552 1.00 0.00 C ATOM 587 CE1 PHE A 39 4.266 15.693 -0.698 1.00 0.00 C ATOM 588 CE2 PHE A 39 5.051 13.437 -0.801 1.00 0.00 C ATOM 589 CZ PHE A 39 5.300 14.794 -0.873 1.00 0.00 C ATOM 0 H PHE A 39 -1.015 13.625 0.612 1.00 0.00 H new ATOM 0 HA PHE A 39 0.579 15.041 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.083 13.570 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.306 12.299 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.183 15.942 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.580 11.922 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.457 16.754 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.857 12.731 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.301 15.151 -1.066 1.00 0.00 H new ATOM 599 N SER A 40 0.245 13.934 -3.420 1.00 0.00 N ATOM 600 CA SER A 40 0.129 13.301 -4.728 1.00 0.00 C ATOM 601 C SER A 40 1.469 12.718 -5.170 1.00 0.00 C ATOM 602 O SER A 40 2.529 13.183 -4.751 1.00 0.00 O ATOM 603 CB SER A 40 -0.367 14.310 -5.765 1.00 0.00 C ATOM 604 OG SER A 40 0.534 15.396 -5.892 1.00 0.00 O ATOM 0 H SER A 40 0.416 14.939 -3.452 1.00 0.00 H new ATOM 0 HA SER A 40 -0.593 12.489 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.485 13.816 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.350 14.681 -5.475 1.00 0.00 H new ATOM 0 HG SER A 40 0.195 16.026 -6.562 1.00 0.00 H new ATOM 610 N CYS A 41 1.412 11.698 -6.019 1.00 0.00 N ATOM 611 CA CYS A 41 2.619 11.050 -6.518 1.00 0.00 C ATOM 612 C CYS A 41 3.299 11.911 -7.578 1.00 0.00 C ATOM 613 O CYS A 41 2.713 12.255 -8.605 1.00 0.00 O ATOM 614 CB CYS A 41 2.281 9.676 -7.101 1.00 0.00 C ATOM 615 SG CYS A 41 3.738 8.651 -7.481 1.00 0.00 S ATOM 0 H CYS A 41 0.542 11.302 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 41 3.306 10.923 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.647 9.140 -6.395 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.699 9.813 -8.012 1.00 0.00 H new ATOM 620 N PRO A 42 4.567 12.268 -7.326 1.00 0.00 N ATOM 621 CA PRO A 42 5.356 13.092 -8.246 1.00 0.00 C ATOM 622 C PRO A 42 5.718 12.348 -9.527 1.00 0.00 C ATOM 623 O PRO A 42 6.429 12.875 -10.382 1.00 0.00 O ATOM 624 CB PRO A 42 6.617 13.415 -7.441 1.00 0.00 C ATOM 625 CG PRO A 42 6.737 12.300 -6.461 1.00 0.00 C ATOM 626 CD PRO A 42 5.329 11.894 -6.122 1.00 0.00 C ATOM 0 HA PRO A 42 4.806 13.974 -8.576 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.494 13.472 -8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.529 14.377 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.292 11.464 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.276 12.620 -5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.257 10.826 -5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.963 12.414 -5.237 1.00 0.00 H new ATOM 634 N GLU A 43 5.223 11.120 -9.652 1.00 0.00 N ATOM 635 CA GLU A 43 5.495 10.304 -10.829 1.00 0.00 C ATOM 636 C GLU A 43 4.875 10.925 -12.077 1.00 0.00 C ATOM 637 O GLU A 43 3.932 11.713 -12.006 1.00 0.00 O ATOM 638 CB GLU A 43 4.956 8.886 -10.630 1.00 0.00 C ATOM 639 CG GLU A 43 5.902 7.977 -9.862 1.00 0.00 C ATOM 640 CD GLU A 43 7.136 7.610 -10.663 1.00 0.00 C ATOM 641 OE1 GLU A 43 7.078 6.619 -11.422 1.00 0.00 O ATOM 642 OE2 GLU A 43 8.160 8.313 -10.532 1.00 0.00 O ATOM 0 H GLU A 43 4.632 10.669 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 43 6.575 10.258 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.006 8.939 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.752 8.444 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.206 8.471 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.374 7.067 -9.577 1.00 0.00 H new ATOM 649 N PRO A 44 5.416 10.562 -13.250 1.00 0.00 N ATOM 650 CA PRO A 44 4.932 11.072 -14.536 1.00 0.00 C ATOM 651 C PRO A 44 3.553 10.527 -14.893 1.00 0.00 C ATOM 652 O PRO A 44 3.424 9.399 -15.366 1.00 0.00 O ATOM 653 CB PRO A 44 5.979 10.570 -15.533 1.00 0.00 C ATOM 654 CG PRO A 44 6.566 9.361 -14.889 1.00 0.00 C ATOM 655 CD PRO A 44 6.542 9.627 -13.409 1.00 0.00 C ATOM 0 HA PRO A 44 4.816 12.156 -14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.526 10.326 -16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.740 11.327 -15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.989 8.469 -15.135 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.584 9.188 -15.238 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.388 8.711 -12.838 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.479 10.064 -13.064 1.00 0.00 H new ATOM 663 N ALA A 45 2.525 11.338 -14.664 1.00 0.00 N ATOM 664 CA ALA A 45 1.155 10.938 -14.964 1.00 0.00 C ATOM 665 C ALA A 45 0.818 9.602 -14.311 1.00 0.00 C ATOM 666 O ALA A 45 0.272 8.705 -14.954 1.00 0.00 O ATOM 667 CB ALA A 45 0.946 10.859 -16.469 1.00 0.00 C ATOM 0 H ALA A 45 2.615 12.275 -14.272 1.00 0.00 H new ATOM 0 HA ALA A 45 0.484 11.693 -14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.081 10.559 -16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.137 11.835 -16.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.632 10.126 -16.894 1.00 0.00 H new ATOM 673 N CYS A 46 1.147 9.475 -13.029 1.00 0.00 N ATOM 674 CA CYS A 46 0.880 8.249 -12.288 1.00 0.00 C ATOM 675 C CYS A 46 -0.599 8.142 -11.928 1.00 0.00 C ATOM 676 O CYS A 46 -1.257 7.153 -12.250 1.00 0.00 O ATOM 677 CB CYS A 46 1.730 8.200 -11.018 1.00 0.00 C ATOM 678 SG CYS A 46 1.188 6.952 -9.807 1.00 0.00 S ATOM 0 H CYS A 46 1.599 10.208 -12.482 1.00 0.00 H new ATOM 0 HA CYS A 46 1.143 7.405 -12.925 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.765 7.997 -11.294 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.713 9.182 -10.544 1.00 0.00 H new ATOM 683 N GLY A 47 -1.115 9.168 -11.259 1.00 0.00 N ATOM 684 CA GLY A 47 -2.512 9.170 -10.866 1.00 0.00 C ATOM 685 C GLY A 47 -2.757 8.388 -9.591 1.00 0.00 C ATOM 686 O GLY A 47 -3.594 7.485 -9.558 1.00 0.00 O ATOM 0 H GLY A 47 -0.591 9.998 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.846 10.198 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.113 8.745 -11.670 1.00 0.00 H new ATOM 690 N LYS A 48 -2.025 8.732 -8.537 1.00 0.00 N ATOM 691 CA LYS A 48 -2.165 8.056 -7.253 1.00 0.00 C ATOM 692 C LYS A 48 -1.663 8.940 -6.115 1.00 0.00 C ATOM 693 O LYS A 48 -0.592 9.539 -6.208 1.00 0.00 O ATOM 694 CB LYS A 48 -1.396 6.733 -7.263 1.00 0.00 C ATOM 695 CG LYS A 48 -2.180 5.578 -7.860 1.00 0.00 C ATOM 696 CD LYS A 48 -1.419 4.268 -7.743 1.00 0.00 C ATOM 697 CE LYS A 48 -2.364 3.078 -7.677 1.00 0.00 C ATOM 698 NZ LYS A 48 -2.873 2.851 -6.295 1.00 0.00 N ATOM 0 H LYS A 48 -1.328 9.476 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.224 7.852 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.472 6.864 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.113 6.479 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.141 5.488 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.392 5.784 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.751 4.157 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.794 4.288 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.204 3.244 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.847 2.184 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.514 2.032 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.073 2.668 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.388 3.695 -5.972 1.00 0.00 H new ATOM 712 N SER A 49 -2.444 9.016 -5.042 1.00 0.00 N ATOM 713 CA SER A 49 -2.079 9.828 -3.887 1.00 0.00 C ATOM 714 C SER A 49 -2.210 9.026 -2.596 1.00 0.00 C ATOM 715 O SER A 49 -2.628 7.868 -2.610 1.00 0.00 O ATOM 716 CB SER A 49 -2.960 11.077 -3.817 1.00 0.00 C ATOM 717 OG SER A 49 -4.233 10.773 -3.273 1.00 0.00 O ATOM 0 H SER A 49 -3.333 8.525 -4.949 1.00 0.00 H new ATOM 0 HA SER A 49 -1.038 10.132 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.472 11.836 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.079 11.499 -4.815 1.00 0.00 H new ATOM 0 HG SER A 49 -4.477 11.454 -2.612 1.00 0.00 H new ATOM 723 N PHE A 50 -1.850 9.651 -1.480 1.00 0.00 N ATOM 724 CA PHE A 50 -1.926 8.997 -0.179 1.00 0.00 C ATOM 725 C PHE A 50 -2.031 10.027 0.942 1.00 0.00 C ATOM 726 O PHE A 50 -1.633 11.179 0.780 1.00 0.00 O ATOM 727 CB PHE A 50 -0.699 8.110 0.042 1.00 0.00 C ATOM 728 CG PHE A 50 -0.444 7.149 -1.084 1.00 0.00 C ATOM 729 CD1 PHE A 50 0.272 7.545 -2.202 1.00 0.00 C ATOM 730 CD2 PHE A 50 -0.922 5.849 -1.025 1.00 0.00 C ATOM 731 CE1 PHE A 50 0.509 6.663 -3.239 1.00 0.00 C ATOM 732 CE2 PHE A 50 -0.688 4.963 -2.059 1.00 0.00 C ATOM 733 CZ PHE A 50 0.027 5.371 -3.168 1.00 0.00 C ATOM 0 H PHE A 50 -1.503 10.610 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.822 8.376 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.178 8.743 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.829 7.548 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.649 8.555 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.484 5.525 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.071 6.984 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.064 3.952 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.209 4.681 -3.978 1.00 0.00 H new ATOM 743 N ASN A 51 -2.571 9.601 2.080 1.00 0.00 N ATOM 744 CA ASN A 51 -2.730 10.486 3.229 1.00 0.00 C ATOM 745 C ASN A 51 -1.422 10.612 4.003 1.00 0.00 C ATOM 746 O ASN A 51 -0.963 11.717 4.292 1.00 0.00 O ATOM 747 CB ASN A 51 -3.834 9.965 4.151 1.00 0.00 C ATOM 748 CG ASN A 51 -5.216 10.390 3.696 1.00 0.00 C ATOM 749 OD1 ASN A 51 -5.759 9.848 2.733 1.00 0.00 O ATOM 750 ND2 ASN A 51 -5.793 11.365 4.389 1.00 0.00 N ATOM 0 H ASN A 51 -2.906 8.649 2.231 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.010 11.473 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.786 8.877 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.660 10.329 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.723 11.693 4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.306 11.786 5.180 1.00 0.00 H new ATOM 757 N PHE A 52 -0.825 9.472 4.336 1.00 0.00 N ATOM 758 CA PHE A 52 0.430 9.454 5.078 1.00 0.00 C ATOM 759 C PHE A 52 1.623 9.438 4.127 1.00 0.00 C ATOM 760 O PHE A 52 1.664 8.657 3.176 1.00 0.00 O ATOM 761 CB PHE A 52 0.484 8.236 6.002 1.00 0.00 C ATOM 762 CG PHE A 52 -0.606 8.220 7.036 1.00 0.00 C ATOM 763 CD1 PHE A 52 -0.487 8.963 8.199 1.00 0.00 C ATOM 764 CD2 PHE A 52 -1.749 7.461 6.844 1.00 0.00 C ATOM 765 CE1 PHE A 52 -1.488 8.950 9.152 1.00 0.00 C ATOM 766 CE2 PHE A 52 -2.754 7.445 7.793 1.00 0.00 C ATOM 767 CZ PHE A 52 -2.622 8.189 8.949 1.00 0.00 C ATOM 0 H PHE A 52 -1.190 8.549 4.104 1.00 0.00 H new ATOM 0 HA PHE A 52 0.480 10.361 5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.416 7.330 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.451 8.213 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.398 9.559 8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.856 6.875 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.383 9.534 10.054 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.641 6.851 7.631 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.405 8.176 9.693 1.00 0.00 H new ATOM 777 N LYS A 53 2.594 10.307 4.390 1.00 0.00 N ATOM 778 CA LYS A 53 3.789 10.394 3.560 1.00 0.00 C ATOM 779 C LYS A 53 4.584 9.093 3.612 1.00 0.00 C ATOM 780 O LYS A 53 4.909 8.510 2.578 1.00 0.00 O ATOM 781 CB LYS A 53 4.669 11.560 4.017 1.00 0.00 C ATOM 782 CG LYS A 53 4.008 12.918 3.858 1.00 0.00 C ATOM 783 CD LYS A 53 4.721 13.984 4.674 1.00 0.00 C ATOM 784 CE LYS A 53 3.778 15.113 5.062 1.00 0.00 C ATOM 785 NZ LYS A 53 3.282 15.855 3.871 1.00 0.00 N ATOM 0 H LYS A 53 2.576 10.961 5.172 1.00 0.00 H new ATOM 0 HA LYS A 53 3.474 10.566 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.935 11.415 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.598 11.548 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.008 13.203 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.966 12.855 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.141 13.534 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.555 14.387 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.931 14.705 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.293 15.803 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.656 16.627 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.089 16.251 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.754 15.206 3.253 1.00 0.00 H new ATOM 799 N LYS A 54 4.893 8.642 4.823 1.00 0.00 N ATOM 800 CA LYS A 54 5.647 7.409 5.012 1.00 0.00 C ATOM 801 C LYS A 54 5.218 6.349 4.002 1.00 0.00 C ATOM 802 O LYS A 54 6.050 5.624 3.456 1.00 0.00 O ATOM 803 CB LYS A 54 5.454 6.881 6.435 1.00 0.00 C ATOM 804 CG LYS A 54 3.998 6.787 6.856 1.00 0.00 C ATOM 805 CD LYS A 54 3.863 6.587 8.356 1.00 0.00 C ATOM 806 CE LYS A 54 2.462 6.131 8.734 1.00 0.00 C ATOM 807 NZ LYS A 54 2.302 4.657 8.593 1.00 0.00 N ATOM 0 H LYS A 54 4.632 9.113 5.689 1.00 0.00 H new ATOM 0 HA LYS A 54 6.703 7.630 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.910 5.894 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.983 7.533 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.474 7.696 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.520 5.959 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.590 5.848 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.094 7.520 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.250 6.423 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.732 6.638 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.334 4.386 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.479 4.381 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.981 4.173 9.215 1.00 0.00 H new ATOM 821 N HIS A 55 3.914 6.265 3.758 1.00 0.00 N ATOM 822 CA HIS A 55 3.374 5.294 2.812 1.00 0.00 C ATOM 823 C HIS A 55 3.842 5.601 1.393 1.00 0.00 C ATOM 824 O HIS A 55 4.573 4.817 0.786 1.00 0.00 O ATOM 825 CB HIS A 55 1.846 5.291 2.868 1.00 0.00 C ATOM 826 CG HIS A 55 1.285 4.305 3.846 1.00 0.00 C ATOM 827 ND1 HIS A 55 -0.024 3.871 3.811 1.00 0.00 N ATOM 828 CD2 HIS A 55 1.863 3.666 4.890 1.00 0.00 C ATOM 829 CE1 HIS A 55 -0.226 3.010 4.792 1.00 0.00 C ATOM 830 NE2 HIS A 55 0.904 2.867 5.461 1.00 0.00 N ATOM 0 H HIS A 55 3.212 6.857 4.202 1.00 0.00 H new ATOM 0 HA HIS A 55 3.742 4.307 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.498 6.290 3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.455 5.069 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.888 3.766 5.214 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.157 2.508 5.010 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.042 2.261 6.270 1.00 0.00 H new ATOM 838 N LEU A 56 3.415 6.745 0.869 1.00 0.00 N ATOM 839 CA LEU A 56 3.790 7.155 -0.480 1.00 0.00 C ATOM 840 C LEU A 56 5.231 6.762 -0.788 1.00 0.00 C ATOM 841 O LEU A 56 5.589 6.527 -1.943 1.00 0.00 O ATOM 842 CB LEU A 56 3.616 8.667 -0.641 1.00 0.00 C ATOM 843 CG LEU A 56 3.211 9.151 -2.034 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.386 10.424 -1.937 1.00 0.00 C ATOM 845 CD2 LEU A 56 4.442 9.376 -2.900 1.00 0.00 C ATOM 0 H LEU A 56 2.809 7.405 1.357 1.00 0.00 H new ATOM 0 HA LEU A 56 3.135 6.642 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.864 9.004 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.553 9.152 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 56 2.599 8.380 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.107 10.754 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.485 10.230 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.973 11.202 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.134 9.720 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.081 10.128 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.994 8.441 -2.997 1.00 0.00 H new ATOM 857 N LYS A 57 6.055 6.690 0.252 1.00 0.00 N ATOM 858 CA LYS A 57 7.457 6.321 0.094 1.00 0.00 C ATOM 859 C LYS A 57 7.588 4.931 -0.519 1.00 0.00 C ATOM 860 O LYS A 57 8.320 4.737 -1.489 1.00 0.00 O ATOM 861 CB LYS A 57 8.172 6.364 1.446 1.00 0.00 C ATOM 862 CG LYS A 57 9.675 6.171 1.346 1.00 0.00 C ATOM 863 CD LYS A 57 10.358 6.411 2.682 1.00 0.00 C ATOM 864 CE LYS A 57 10.118 5.259 3.646 1.00 0.00 C ATOM 865 NZ LYS A 57 10.865 5.438 4.921 1.00 0.00 N ATOM 0 H LYS A 57 5.776 6.882 1.214 1.00 0.00 H new ATOM 0 HA LYS A 57 7.923 7.041 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.968 7.322 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.757 5.590 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.891 5.159 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.082 6.854 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.429 6.539 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.986 7.337 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.052 5.179 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.421 4.323 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.675 4.632 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.884 5.489 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.558 6.318 5.383 1.00 0.00 H new ATOM 879 N GLU A 58 6.873 3.967 0.053 1.00 0.00 N ATOM 880 CA GLU A 58 6.910 2.595 -0.439 1.00 0.00 C ATOM 881 C GLU A 58 6.256 2.491 -1.814 1.00 0.00 C ATOM 882 O GLU A 58 6.593 1.614 -2.610 1.00 0.00 O ATOM 883 CB GLU A 58 6.206 1.657 0.544 1.00 0.00 C ATOM 884 CG GLU A 58 4.690 1.711 0.457 1.00 0.00 C ATOM 885 CD GLU A 58 4.016 1.322 1.758 1.00 0.00 C ATOM 886 OE1 GLU A 58 3.967 0.111 2.062 1.00 0.00 O ATOM 887 OE2 GLU A 58 3.538 2.228 2.473 1.00 0.00 O ATOM 0 H GLU A 58 6.262 4.111 0.857 1.00 0.00 H new ATOM 0 HA GLU A 58 7.955 2.298 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.536 0.635 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.513 1.911 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.382 2.719 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.352 1.045 -0.336 1.00 0.00 H new ATOM 894 N HIS A 59 5.319 3.394 -2.086 1.00 0.00 N ATOM 895 CA HIS A 59 4.617 3.405 -3.365 1.00 0.00 C ATOM 896 C HIS A 59 5.570 3.750 -4.505 1.00 0.00 C ATOM 897 O HIS A 59 5.324 3.402 -5.659 1.00 0.00 O ATOM 898 CB HIS A 59 3.463 4.408 -3.328 1.00 0.00 C ATOM 899 CG HIS A 59 2.847 4.661 -4.670 1.00 0.00 C ATOM 900 ND1 HIS A 59 2.261 3.669 -5.428 1.00 0.00 N ATOM 901 CD2 HIS A 59 2.726 5.802 -5.388 1.00 0.00 C ATOM 902 CE1 HIS A 59 1.807 4.189 -6.554 1.00 0.00 C ATOM 903 NE2 HIS A 59 2.077 5.482 -6.555 1.00 0.00 N ATOM 0 H HIS A 59 5.028 4.127 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 59 4.216 2.407 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.695 4.041 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.825 5.352 -2.920 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.189 2.687 -5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.075 6.782 -5.097 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.301 3.649 -7.340 1.00 0.00 H new ATOM 911 N MET A 60 6.659 4.436 -4.173 1.00 0.00 N ATOM 912 CA MET A 60 7.649 4.827 -5.169 1.00 0.00 C ATOM 913 C MET A 60 8.653 3.704 -5.407 1.00 0.00 C ATOM 914 O MET A 60 9.098 3.483 -6.534 1.00 0.00 O ATOM 915 CB MET A 60 8.380 6.095 -4.723 1.00 0.00 C ATOM 916 CG MET A 60 7.468 7.301 -4.570 1.00 0.00 C ATOM 917 SD MET A 60 8.335 8.863 -4.813 1.00 0.00 S ATOM 918 CE MET A 60 8.564 8.850 -6.589 1.00 0.00 C ATOM 0 H MET A 60 6.878 4.732 -3.222 1.00 0.00 H new ATOM 0 HA MET A 60 7.127 5.028 -6.104 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.877 5.903 -3.772 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.159 6.329 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.652 7.228 -5.288 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.020 7.289 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.908 9.830 -6.919 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.306 8.097 -6.855 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.618 8.615 -7.076 1.00 0.00 H new ATOM 928 N LYS A 61 9.008 2.997 -4.340 1.00 0.00 N ATOM 929 CA LYS A 61 9.959 1.896 -4.432 1.00 0.00 C ATOM 930 C LYS A 61 9.757 1.109 -5.724 1.00 0.00 C ATOM 931 O LYS A 61 10.720 0.770 -6.412 1.00 0.00 O ATOM 932 CB LYS A 61 9.811 0.964 -3.227 1.00 0.00 C ATOM 933 CG LYS A 61 10.635 1.389 -2.024 1.00 0.00 C ATOM 934 CD LYS A 61 11.006 0.201 -1.154 1.00 0.00 C ATOM 935 CE LYS A 61 9.790 -0.654 -0.829 1.00 0.00 C ATOM 936 NZ LYS A 61 9.932 -1.347 0.481 1.00 0.00 N ATOM 0 H LYS A 61 8.651 3.167 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 61 10.964 2.317 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.760 0.919 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.104 -0.044 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.542 1.891 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.072 2.112 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.753 -0.406 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.461 0.554 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.899 -0.026 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.645 -1.393 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.083 -1.919 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.768 -1.966 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.045 -0.641 1.237 1.00 0.00 H new ATOM 950 N LEU A 62 8.501 0.824 -6.047 1.00 0.00 N ATOM 951 CA LEU A 62 8.173 0.079 -7.257 1.00 0.00 C ATOM 952 C LEU A 62 8.391 0.936 -8.500 1.00 0.00 C ATOM 953 O LEU A 62 8.942 0.471 -9.499 1.00 0.00 O ATOM 954 CB LEU A 62 6.722 -0.404 -7.205 1.00 0.00 C ATOM 955 CG LEU A 62 5.720 0.552 -6.558 1.00 0.00 C ATOM 956 CD1 LEU A 62 4.344 0.389 -7.187 1.00 0.00 C ATOM 957 CD2 LEU A 62 5.652 0.317 -5.056 1.00 0.00 C ATOM 0 H LEU A 62 7.693 1.097 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 62 8.835 -0.785 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.392 -0.610 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.694 -1.349 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 62 6.058 1.574 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.644 1.077 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.403 0.607 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.998 -0.635 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.934 1.006 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.338 -0.709 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.635 0.485 -4.617 1.00 0.00 H new ATOM 969 N HIS A 63 7.957 2.190 -8.432 1.00 0.00 N ATOM 970 CA HIS A 63 8.108 3.114 -9.551 1.00 0.00 C ATOM 971 C HIS A 63 9.541 3.104 -10.074 1.00 0.00 C ATOM 972 O HIS A 63 9.770 3.124 -11.283 1.00 0.00 O ATOM 973 CB HIS A 63 7.718 4.530 -9.127 1.00 0.00 C ATOM 974 CG HIS A 63 6.250 4.807 -9.244 1.00 0.00 C ATOM 975 ND1 HIS A 63 5.574 4.786 -10.446 1.00 0.00 N ATOM 976 CD2 HIS A 63 5.329 5.112 -8.301 1.00 0.00 C ATOM 977 CE1 HIS A 63 4.301 5.067 -10.236 1.00 0.00 C ATOM 978 NE2 HIS A 63 4.125 5.269 -8.943 1.00 0.00 N ATOM 0 H HIS A 63 7.498 2.590 -7.614 1.00 0.00 H new ATOM 0 HA HIS A 63 7.445 2.787 -10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.028 4.690 -8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.265 5.247 -9.739 1.00 0.00 H new ATOM 0 HD1 HIS A 63 5.992 4.585 -11.355 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.507 5.213 -7.241 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.533 5.122 -10.994 1.00 0.00 H new ATOM 986 N SER A 64 10.501 3.073 -9.156 1.00 0.00 N ATOM 987 CA SER A 64 11.912 3.065 -9.525 1.00 0.00 C ATOM 988 C SER A 64 12.265 1.796 -10.294 1.00 0.00 C ATOM 989 O SER A 64 11.455 0.875 -10.400 1.00 0.00 O ATOM 990 CB SER A 64 12.789 3.179 -8.276 1.00 0.00 C ATOM 991 OG SER A 64 12.618 4.436 -7.646 1.00 0.00 O ATOM 0 H SER A 64 10.328 3.053 -8.151 1.00 0.00 H new ATOM 0 HA SER A 64 12.098 3.924 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.537 2.381 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.836 3.045 -8.549 1.00 0.00 H new ATOM 0 HG SER A 64 13.188 4.483 -6.850 1.00 0.00 H new ATOM 997 N ASP A 65 13.480 1.755 -10.830 1.00 0.00 N ATOM 998 CA ASP A 65 13.943 0.599 -11.589 1.00 0.00 C ATOM 999 C ASP A 65 13.776 -0.684 -10.781 1.00 0.00 C ATOM 1000 O ASP A 65 13.958 -0.692 -9.563 1.00 0.00 O ATOM 1001 CB ASP A 65 15.408 0.777 -11.989 1.00 0.00 C ATOM 1002 CG ASP A 65 16.363 0.368 -10.885 1.00 0.00 C ATOM 1003 OD1 ASP A 65 16.399 1.059 -9.844 1.00 0.00 O ATOM 1004 OD2 ASP A 65 17.075 -0.643 -11.060 1.00 0.00 O ATOM 0 H ASP A 65 14.162 2.509 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 65 13.336 0.521 -12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.613 0.184 -12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.586 1.820 -12.252 1.00 0.00 H new ATOM 1009 N THR A 66 13.427 -1.769 -11.466 1.00 0.00 N ATOM 1010 CA THR A 66 13.232 -3.057 -10.812 1.00 0.00 C ATOM 1011 C THR A 66 13.421 -4.206 -11.796 1.00 0.00 C ATOM 1012 O THR A 66 13.236 -4.041 -13.001 1.00 0.00 O ATOM 1013 CB THR A 66 11.831 -3.161 -10.181 1.00 0.00 C ATOM 1014 OG1 THR A 66 11.681 -4.427 -9.529 1.00 0.00 O ATOM 1015 CG2 THR A 66 10.748 -2.996 -11.237 1.00 0.00 C ATOM 0 H THR A 66 13.274 -1.781 -12.474 1.00 0.00 H new ATOM 0 HA THR A 66 13.982 -3.129 -10.024 1.00 0.00 H new ATOM 0 HB THR A 66 11.726 -2.361 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.788 -4.485 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.767 -3.073 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.848 -2.019 -11.711 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.852 -3.777 -11.990 1.00 0.00 H new ATOM 1023 N ARG A 67 13.790 -5.371 -11.273 1.00 0.00 N ATOM 1024 CA ARG A 67 14.004 -6.549 -12.106 1.00 0.00 C ATOM 1025 C ARG A 67 14.089 -7.810 -11.252 1.00 0.00 C ATOM 1026 O ARG A 67 14.465 -7.755 -10.081 1.00 0.00 O ATOM 1027 CB ARG A 67 15.283 -6.391 -12.930 1.00 0.00 C ATOM 1028 CG ARG A 67 15.292 -7.218 -14.205 1.00 0.00 C ATOM 1029 CD ARG A 67 16.685 -7.292 -14.811 1.00 0.00 C ATOM 1030 NE ARG A 67 17.524 -8.277 -14.135 1.00 0.00 N ATOM 1031 CZ ARG A 67 17.600 -9.553 -14.499 1.00 0.00 C ATOM 1032 NH1 ARG A 67 16.890 -9.995 -15.528 1.00 0.00 N ATOM 1033 NH2 ARG A 67 18.387 -10.389 -13.834 1.00 0.00 N ATOM 0 H ARG A 67 13.947 -5.524 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 67 13.154 -6.645 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.411 -5.340 -13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.138 -6.675 -12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.934 -8.225 -13.990 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.602 -6.782 -14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.607 -7.546 -15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.158 -6.312 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 67 18.083 -7.969 -13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.284 -9.355 -16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.950 -10.975 -15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.935 -10.053 -13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.444 -11.368 -14.115 1.00 0.00 H new ATOM 1047 N ASP A 68 13.737 -8.945 -11.846 1.00 0.00 N ATOM 1048 CA ASP A 68 13.773 -10.221 -11.140 1.00 0.00 C ATOM 1049 C ASP A 68 14.056 -11.368 -12.106 1.00 0.00 C ATOM 1050 O ASP A 68 14.043 -11.185 -13.323 1.00 0.00 O ATOM 1051 CB ASP A 68 12.449 -10.464 -10.414 1.00 0.00 C ATOM 1052 CG ASP A 68 11.266 -10.497 -11.362 1.00 0.00 C ATOM 1053 OD1 ASP A 68 11.229 -11.391 -12.232 1.00 0.00 O ATOM 1054 OD2 ASP A 68 10.378 -9.628 -11.233 1.00 0.00 O ATOM 0 H ASP A 68 13.423 -9.008 -12.815 1.00 0.00 H new ATOM 0 HA ASP A 68 14.578 -10.180 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.503 -11.408 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.295 -9.680 -9.673 1.00 0.00 H new ATOM 1059 N TYR A 69 14.313 -12.548 -11.554 1.00 0.00 N ATOM 1060 CA TYR A 69 14.603 -13.724 -12.366 1.00 0.00 C ATOM 1061 C TYR A 69 14.205 -15.003 -11.635 1.00 0.00 C ATOM 1062 O TYR A 69 13.898 -14.979 -10.443 1.00 0.00 O ATOM 1063 CB TYR A 69 16.090 -13.769 -12.723 1.00 0.00 C ATOM 1064 CG TYR A 69 16.382 -14.507 -14.010 1.00 0.00 C ATOM 1065 CD1 TYR A 69 16.595 -15.880 -14.014 1.00 0.00 C ATOM 1066 CD2 TYR A 69 16.445 -13.831 -15.222 1.00 0.00 C ATOM 1067 CE1 TYR A 69 16.863 -16.558 -15.187 1.00 0.00 C ATOM 1068 CE2 TYR A 69 16.710 -14.501 -16.401 1.00 0.00 C ATOM 1069 CZ TYR A 69 16.919 -15.865 -16.378 1.00 0.00 C ATOM 1070 OH TYR A 69 17.185 -16.536 -17.550 1.00 0.00 O ATOM 0 H TYR A 69 14.327 -12.716 -10.548 1.00 0.00 H new ATOM 0 HA TYR A 69 14.018 -13.654 -13.283 1.00 0.00 H new ATOM 0 HB2 TYR A 69 16.466 -12.749 -12.805 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.636 -14.245 -11.909 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.550 -16.427 -13.084 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.284 -12.763 -15.243 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.028 -17.625 -15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.753 -13.960 -17.335 1.00 0.00 H new ATOM 0 HH TYR A 69 17.188 -15.901 -18.297 1.00 0.00 H new ATOM 1080 N ILE A 70 14.214 -16.117 -12.358 1.00 0.00 N ATOM 1081 CA ILE A 70 13.856 -17.406 -11.779 1.00 0.00 C ATOM 1082 C ILE A 70 15.033 -18.374 -11.823 1.00 0.00 C ATOM 1083 O ILE A 70 15.698 -18.513 -12.850 1.00 0.00 O ATOM 1084 CB ILE A 70 12.658 -18.039 -12.512 1.00 0.00 C ATOM 1085 CG1 ILE A 70 11.439 -17.117 -12.433 1.00 0.00 C ATOM 1086 CG2 ILE A 70 12.336 -19.403 -11.920 1.00 0.00 C ATOM 1087 CD1 ILE A 70 11.434 -16.031 -13.487 1.00 0.00 C ATOM 0 H ILE A 70 14.465 -16.153 -13.346 1.00 0.00 H new ATOM 0 HA ILE A 70 13.580 -17.220 -10.741 1.00 0.00 H new ATOM 0 HB ILE A 70 12.922 -18.173 -13.561 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.534 -17.715 -12.535 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.406 -16.655 -11.446 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.487 -19.838 -12.448 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.201 -20.058 -12.023 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.088 -19.292 -10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.542 -15.416 -13.371 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.321 -15.409 -13.372 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.435 -16.485 -14.478 1.00 0.00 H new ATOM 1099 N CYS A 71 15.284 -19.042 -10.702 1.00 0.00 N ATOM 1100 CA CYS A 71 16.381 -19.999 -10.612 1.00 0.00 C ATOM 1101 C CYS A 71 15.910 -21.309 -9.989 1.00 0.00 C ATOM 1102 O CYS A 71 14.854 -21.363 -9.359 1.00 0.00 O ATOM 1103 CB CYS A 71 17.530 -19.414 -9.790 1.00 0.00 C ATOM 1104 SG CYS A 71 18.298 -17.954 -10.530 1.00 0.00 S ATOM 0 H CYS A 71 14.743 -18.938 -9.844 1.00 0.00 H new ATOM 0 HA CYS A 71 16.735 -20.204 -11.622 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.158 -19.153 -8.799 1.00 0.00 H new ATOM 0 HB3 CYS A 71 18.292 -20.182 -9.652 1.00 0.00 H new ATOM 0 HG CYS A 71 19.257 -17.531 -9.761 1.00 0.00 H new ATOM 1110 N GLU A 72 16.699 -22.363 -10.171 1.00 0.00 N ATOM 1111 CA GLU A 72 16.361 -23.673 -9.628 1.00 0.00 C ATOM 1112 C GLU A 72 16.124 -23.594 -8.122 1.00 0.00 C ATOM 1113 O GLU A 72 16.933 -23.032 -7.384 1.00 0.00 O ATOM 1114 CB GLU A 72 17.475 -24.678 -9.928 1.00 0.00 C ATOM 1115 CG GLU A 72 17.376 -25.303 -11.309 1.00 0.00 C ATOM 1116 CD GLU A 72 18.429 -26.368 -11.544 1.00 0.00 C ATOM 1117 OE1 GLU A 72 18.171 -27.542 -11.204 1.00 0.00 O ATOM 1118 OE2 GLU A 72 19.510 -26.029 -12.068 1.00 0.00 O ATOM 0 H GLU A 72 17.577 -22.335 -10.690 1.00 0.00 H new ATOM 0 HA GLU A 72 15.441 -24.009 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.439 -24.178 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.451 -25.469 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.386 -25.742 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.478 -24.524 -12.064 1.00 0.00 H new ATOM 1125 N PHE A 73 15.008 -24.160 -7.674 1.00 0.00 N ATOM 1126 CA PHE A 73 14.663 -24.153 -6.257 1.00 0.00 C ATOM 1127 C PHE A 73 15.359 -25.295 -5.522 1.00 0.00 C ATOM 1128 O PHE A 73 15.882 -25.112 -4.423 1.00 0.00 O ATOM 1129 CB PHE A 73 13.148 -24.265 -6.079 1.00 0.00 C ATOM 1130 CG PHE A 73 12.661 -25.680 -5.956 1.00 0.00 C ATOM 1131 CD1 PHE A 73 12.816 -26.379 -4.769 1.00 0.00 C ATOM 1132 CD2 PHE A 73 12.050 -26.313 -7.026 1.00 0.00 C ATOM 1133 CE1 PHE A 73 12.370 -27.682 -4.652 1.00 0.00 C ATOM 1134 CE2 PHE A 73 11.601 -27.615 -6.915 1.00 0.00 C ATOM 1135 CZ PHE A 73 11.762 -28.301 -5.727 1.00 0.00 C ATOM 0 H PHE A 73 14.327 -24.629 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 73 15.003 -23.209 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.853 -23.709 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.655 -23.792 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.291 -25.900 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.923 -25.782 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.497 -28.215 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.125 -28.096 -7.756 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.413 -29.319 -5.639 1.00 0.00 H new ATOM 1145 N SER A 74 15.359 -26.473 -6.137 1.00 0.00 N ATOM 1146 CA SER A 74 15.986 -27.647 -5.540 1.00 0.00 C ATOM 1147 C SER A 74 17.506 -27.565 -5.648 1.00 0.00 C ATOM 1148 O SER A 74 18.047 -27.217 -6.697 1.00 0.00 O ATOM 1149 CB SER A 74 15.482 -28.921 -6.220 1.00 0.00 C ATOM 1150 OG SER A 74 15.690 -28.868 -7.621 1.00 0.00 O ATOM 0 H SER A 74 14.932 -26.640 -7.048 1.00 0.00 H new ATOM 0 HA SER A 74 15.716 -27.676 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.998 -29.787 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.420 -29.053 -6.012 1.00 0.00 H new ATOM 0 HG SER A 74 15.361 -29.695 -8.032 1.00 0.00 H new ATOM 1156 N GLY A 75 18.189 -27.889 -4.555 1.00 0.00 N ATOM 1157 CA GLY A 75 19.639 -27.847 -4.546 1.00 0.00 C ATOM 1158 C GLY A 75 20.252 -29.090 -3.934 1.00 0.00 C ATOM 1159 O GLY A 75 19.628 -29.787 -3.134 1.00 0.00 O ATOM 0 H GLY A 75 17.764 -28.180 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.002 -27.732 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.970 -26.971 -3.989 1.00 0.00 H new ATOM 1163 N PRO A 76 21.504 -29.386 -4.314 1.00 0.00 N ATOM 1164 CA PRO A 76 22.229 -30.556 -3.809 1.00 0.00 C ATOM 1165 C PRO A 76 22.604 -30.416 -2.338 1.00 0.00 C ATOM 1166 O PRO A 76 22.214 -29.454 -1.677 1.00 0.00 O ATOM 1167 CB PRO A 76 23.487 -30.597 -4.680 1.00 0.00 C ATOM 1168 CG PRO A 76 23.686 -29.189 -5.125 1.00 0.00 C ATOM 1169 CD PRO A 76 22.309 -28.600 -5.264 1.00 0.00 C ATOM 0 HA PRO A 76 21.627 -31.463 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 76 24.347 -30.959 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.358 -31.266 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 76 24.278 -28.631 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.224 -29.151 -6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.299 -27.538 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 76 21.933 -28.693 -6.283 1.00 0.00 H new ATOM 1177 N SER A 77 23.363 -31.382 -1.831 1.00 0.00 N ATOM 1178 CA SER A 77 23.788 -31.368 -0.436 1.00 0.00 C ATOM 1179 C SER A 77 22.583 -31.394 0.499 1.00 0.00 C ATOM 1180 O SER A 77 22.544 -30.677 1.499 1.00 0.00 O ATOM 1181 CB SER A 77 24.641 -30.129 -0.153 1.00 0.00 C ATOM 1182 OG SER A 77 25.462 -30.324 0.985 1.00 0.00 O ATOM 0 H SER A 77 23.696 -32.184 -2.365 1.00 0.00 H new ATOM 0 HA SER A 77 24.386 -32.261 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.263 -29.906 -1.020 1.00 0.00 H new ATOM 0 HB3 SER A 77 23.994 -29.266 0.005 1.00 0.00 H new ATOM 0 HG SER A 77 24.902 -30.545 1.758 1.00 0.00 H new ATOM 1188 N SER A 78 21.602 -32.226 0.166 1.00 0.00 N ATOM 1189 CA SER A 78 20.393 -32.345 0.973 1.00 0.00 C ATOM 1190 C SER A 78 20.714 -32.914 2.352 1.00 0.00 C ATOM 1191 O SER A 78 20.498 -32.259 3.371 1.00 0.00 O ATOM 1192 CB SER A 78 19.368 -33.235 0.267 1.00 0.00 C ATOM 1193 OG SER A 78 18.736 -32.542 -0.795 1.00 0.00 O ATOM 0 H SER A 78 21.620 -32.828 -0.657 1.00 0.00 H new ATOM 0 HA SER A 78 19.971 -31.348 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.861 -34.127 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.618 -33.570 0.984 1.00 0.00 H new ATOM 0 HG SER A 78 18.087 -33.133 -1.231 1.00 0.00 H new ATOM 1199 N GLY A 79 21.231 -34.138 2.374 1.00 0.00 N ATOM 1200 CA GLY A 79 21.573 -34.776 3.632 1.00 0.00 C ATOM 1201 C GLY A 79 21.621 -36.287 3.522 1.00 0.00 C ATOM 1202 O GLY A 79 21.705 -36.804 2.409 1.00 0.00 O ATOM 0 H GLY A 79 21.419 -34.699 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 79 22.542 -34.409 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.842 -34.493 4.390 1.00 0.00 H new TER 1206 GLY A 79 HETATM 1207 ZN ZN A 201 -15.314 2.733 0.350 1.00 0.00 ZN HETATM 1208 ZN ZN A 401 2.795 6.597 -8.123 1.00 0.00 ZN