USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -73:sc= 0.765 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.39 K(o=-1.6,f=-2.3!) USER MOD Set 2.1: A 40 SER OG : rot 109:sc= 1.1 USER MOD Set 2.2: A 42 SER OG : rot -109:sc= 0.987 USER MOD Set 3.1: A 5 HIS :FLIP no HD1:sc= -0.471 F(o=-0.54,f=0.43) USER MOD Set 3.2: A 8 SER OG : rot 41:sc= 0.903 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.036) USER MOD Single : A 24 SER OG : rot -99:sc= -1.47! USER MOD Single : A 26 GLN : amide:sc=-0.00303 X(o=-0.003,f=-0.48) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.56) USER MOD Single : A 35 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.944 K(o=-0.94,f=-2) USER MOD Single : A 46 SER OG : rot 89:sc= 1.26 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.65) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00282) USER MOD Single : A 59 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=-0.095) USER MOD Single : A 60 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.8!) USER MOD Single : A 62 ASN : amide:sc= -2.04 K(o=-2,f=-13!) USER MOD Single : A 68 SER OG : rot 92:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 79 TYR OH : rot 15:sc= 0 USER MOD Single : A 80 THR OG1 : rot 90:sc= -1.24! USER MOD Single : A 82 SER OG : rot -12:sc= 0.693 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -4.388 7.663 8.639 1.00 0.00 N ATOM 35 CA CYS A 3 -3.755 7.841 7.294 1.00 0.00 C ATOM 36 C CYS A 3 -3.088 9.223 7.168 1.00 0.00 C ATOM 37 O CYS A 3 -3.157 9.899 6.162 1.00 0.00 O ATOM 38 CB CYS A 3 -4.804 7.664 6.165 1.00 0.00 C ATOM 39 SG CYS A 3 -4.008 7.466 4.551 1.00 0.00 S ATOM 0 HA CYS A 3 -2.987 7.074 7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.425 6.793 6.376 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.466 8.529 6.142 1.00 0.00 H new ATOM 44 N GLY A 4 -2.431 9.619 8.228 1.00 0.00 N ATOM 45 CA GLY A 4 -1.731 10.950 8.219 1.00 0.00 C ATOM 46 C GLY A 4 -0.278 10.780 7.752 1.00 0.00 C ATOM 47 O GLY A 4 0.298 11.669 7.160 1.00 0.00 O ATOM 0 H GLY A 4 -2.346 9.088 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.255 11.641 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.751 11.387 9.217 1.00 0.00 H new ATOM 51 N HIS A 5 0.296 9.635 8.038 1.00 0.00 N ATOM 52 CA HIS A 5 1.719 9.374 7.616 1.00 0.00 C ATOM 53 C HIS A 5 1.754 8.277 6.543 1.00 0.00 C ATOM 54 O HIS A 5 2.605 8.274 5.675 1.00 0.00 O ATOM 55 CB HIS A 5 2.619 8.885 8.799 1.00 0.00 C ATOM 56 CG HIS A 5 4.097 8.870 8.307 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.674 9.432 7.168 1.00 0.00 N flip ATOM 58 CD2 HIS A 5 5.100 8.308 8.902 1.00 0.00 C flip ATOM 59 CE1 HIS A 5 5.966 9.183 7.130 1.00 0.00 C flip ATOM 60 NE2 HIS A 5 6.186 8.489 8.214 1.00 0.00 N flip ATOM 0 H HIS A 5 -0.153 8.871 8.543 1.00 0.00 H new ATOM 0 HA HIS A 5 2.104 10.323 7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.510 9.546 9.659 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.315 7.889 9.122 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.042 7.767 9.835 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.679 9.483 6.377 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.101 8.132 8.487 1.00 0.00 H new ATOM 68 N VAL A 6 0.838 7.347 6.616 1.00 0.00 N ATOM 69 CA VAL A 6 0.792 6.242 5.606 1.00 0.00 C ATOM 70 C VAL A 6 0.490 6.792 4.204 1.00 0.00 C ATOM 71 O VAL A 6 0.932 6.253 3.213 1.00 0.00 O ATOM 72 CB VAL A 6 -0.299 5.227 5.993 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.416 4.232 4.858 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.036 4.559 7.306 1.00 0.00 C ATOM 0 H VAL A 6 0.115 7.303 7.334 1.00 0.00 H new ATOM 0 HA VAL A 6 1.767 5.755 5.592 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.259 5.722 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.182 3.495 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.690 4.755 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.540 3.728 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.747 3.846 7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.988 4.036 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.110 5.313 8.090 1.00 0.00 H new ATOM 84 N ASP A 7 -0.270 7.842 4.151 1.00 0.00 N ATOM 85 CA ASP A 7 -0.647 8.492 2.861 1.00 0.00 C ATOM 86 C ASP A 7 0.597 8.783 2.003 1.00 0.00 C ATOM 87 O ASP A 7 0.667 8.527 0.817 1.00 0.00 O ATOM 88 CB ASP A 7 -1.364 9.781 3.234 1.00 0.00 C ATOM 89 CG ASP A 7 -1.919 10.465 2.014 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.792 9.891 1.379 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.437 11.553 1.751 1.00 0.00 O ATOM 0 H ASP A 7 -0.662 8.297 4.976 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.285 7.841 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.173 9.562 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.673 10.450 3.747 1.00 0.00 H new ATOM 96 N SER A 8 1.574 9.340 2.655 1.00 0.00 N ATOM 97 CA SER A 8 2.847 9.692 1.977 1.00 0.00 C ATOM 98 C SER A 8 3.745 8.467 1.761 1.00 0.00 C ATOM 99 O SER A 8 4.554 8.427 0.855 1.00 0.00 O ATOM 100 CB SER A 8 3.466 10.769 2.863 1.00 0.00 C ATOM 101 OG SER A 8 3.168 10.423 4.216 1.00 0.00 O ATOM 0 H SER A 8 1.543 9.570 3.648 1.00 0.00 H new ATOM 0 HA SER A 8 2.696 10.065 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.544 10.823 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.059 11.750 2.618 1.00 0.00 H new ATOM 0 HG SER A 8 3.274 9.456 4.337 1.00 0.00 H new ATOM 107 N LEU A 9 3.589 7.477 2.601 1.00 0.00 N ATOM 108 CA LEU A 9 4.398 6.244 2.491 1.00 0.00 C ATOM 109 C LEU A 9 3.894 5.396 1.310 1.00 0.00 C ATOM 110 O LEU A 9 4.682 4.779 0.624 1.00 0.00 O ATOM 111 CB LEU A 9 4.238 5.548 3.827 1.00 0.00 C ATOM 112 CG LEU A 9 5.099 6.233 4.926 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.589 5.822 6.284 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.528 5.757 4.818 1.00 0.00 C ATOM 0 H LEU A 9 2.920 7.479 3.371 1.00 0.00 H new ATOM 0 HA LEU A 9 5.452 6.434 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.189 5.561 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.530 4.502 3.732 1.00 0.00 H new ATOM 0 HG LEU A 9 5.042 7.314 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.190 6.300 7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.549 6.130 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.660 4.739 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.131 6.238 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.562 4.676 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.924 6.014 3.835 1.00 0.00 H new ATOM 126 N VAL A 10 2.606 5.372 1.104 1.00 0.00 N ATOM 127 CA VAL A 10 2.011 4.583 -0.025 1.00 0.00 C ATOM 128 C VAL A 10 1.986 5.408 -1.321 1.00 0.00 C ATOM 129 O VAL A 10 1.803 4.884 -2.403 1.00 0.00 O ATOM 130 CB VAL A 10 0.557 4.181 0.342 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.565 3.383 1.624 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.363 5.377 0.466 1.00 0.00 C ATOM 0 H VAL A 10 1.926 5.872 1.676 1.00 0.00 H new ATOM 0 HA VAL A 10 2.624 3.696 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 10 0.165 3.571 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.455 3.100 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.168 2.485 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.989 3.987 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.367 5.039 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.008 6.042 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.393 5.913 -0.483 1.00 0.00 H new ATOM 142 N ARG A 11 2.156 6.693 -1.191 1.00 0.00 N ATOM 143 CA ARG A 11 2.151 7.599 -2.382 1.00 0.00 C ATOM 144 C ARG A 11 3.208 7.243 -3.447 1.00 0.00 C ATOM 145 O ARG A 11 2.896 7.215 -4.624 1.00 0.00 O ATOM 146 CB ARG A 11 2.370 9.051 -1.859 1.00 0.00 C ATOM 147 CG ARG A 11 1.469 10.085 -2.556 1.00 0.00 C ATOM 148 CD ARG A 11 0.002 9.624 -2.500 1.00 0.00 C ATOM 149 NE ARG A 11 -0.865 10.822 -2.704 1.00 0.00 N ATOM 150 CZ ARG A 11 -1.898 10.957 -1.930 1.00 0.00 C ATOM 151 NH1 ARG A 11 -1.663 11.051 -0.669 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.095 10.981 -2.433 1.00 0.00 N ATOM 0 H ARG A 11 2.301 7.165 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 11 1.193 7.489 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.180 9.077 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.414 9.330 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.573 11.056 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.780 10.211 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.193 8.877 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.214 9.156 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.653 11.510 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.703 11.018 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.436 11.159 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.227 10.894 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.904 11.087 -1.820 1.00 0.00 H new ATOM 166 N PRO A 12 4.437 7.000 -3.046 1.00 0.00 N ATOM 167 CA PRO A 12 5.507 6.574 -3.988 1.00 0.00 C ATOM 168 C PRO A 12 5.175 5.315 -4.799 1.00 0.00 C ATOM 169 O PRO A 12 5.554 5.218 -5.952 1.00 0.00 O ATOM 170 CB PRO A 12 6.738 6.402 -3.084 1.00 0.00 C ATOM 171 CG PRO A 12 6.124 6.119 -1.695 1.00 0.00 C ATOM 172 CD PRO A 12 4.973 7.106 -1.654 1.00 0.00 C ATOM 0 HA PRO A 12 5.660 7.310 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.371 5.580 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.358 7.298 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.782 5.088 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.838 6.291 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.228 6.836 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.308 8.116 -1.420 1.00 0.00 H new ATOM 180 N CYS A 13 4.494 4.364 -4.202 1.00 0.00 N ATOM 181 CA CYS A 13 4.159 3.150 -4.943 1.00 0.00 C ATOM 182 C CYS A 13 2.993 3.379 -5.903 1.00 0.00 C ATOM 183 O CYS A 13 2.793 2.605 -6.821 1.00 0.00 O ATOM 184 CB CYS A 13 3.863 2.148 -3.916 1.00 0.00 C ATOM 185 SG CYS A 13 5.251 1.651 -2.876 1.00 0.00 S ATOM 0 H CYS A 13 4.166 4.394 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 13 4.975 2.821 -5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.074 2.537 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.465 1.260 -4.407 1.00 0.00 H new ATOM 190 N LEU A 14 2.235 4.426 -5.696 1.00 0.00 N ATOM 191 CA LEU A 14 1.077 4.708 -6.614 1.00 0.00 C ATOM 192 C LEU A 14 1.563 5.166 -8.003 1.00 0.00 C ATOM 193 O LEU A 14 0.908 4.935 -9.004 1.00 0.00 O ATOM 194 CB LEU A 14 0.172 5.848 -6.065 1.00 0.00 C ATOM 195 CG LEU A 14 -1.067 5.354 -5.281 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.676 4.777 -3.943 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.957 6.556 -5.074 1.00 0.00 C ATOM 0 H LEU A 14 2.362 5.097 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 14 0.519 3.774 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.768 6.488 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.162 6.465 -6.899 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.573 4.565 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.569 4.439 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.003 3.933 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.173 5.541 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.849 6.258 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.417 7.315 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.248 6.964 -6.042 1.00 0.00 H new ATOM 209 N SER A 15 2.692 5.822 -8.028 1.00 0.00 N ATOM 210 CA SER A 15 3.263 6.321 -9.329 1.00 0.00 C ATOM 211 C SER A 15 3.404 5.173 -10.355 1.00 0.00 C ATOM 212 O SER A 15 3.430 5.387 -11.550 1.00 0.00 O ATOM 213 CB SER A 15 4.643 6.984 -9.019 1.00 0.00 C ATOM 214 OG SER A 15 4.877 7.855 -10.120 1.00 0.00 O ATOM 0 H SER A 15 3.252 6.038 -7.203 1.00 0.00 H new ATOM 0 HA SER A 15 2.592 7.053 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.617 7.533 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.431 6.236 -8.930 1.00 0.00 H new ATOM 0 HG SER A 15 5.734 8.315 -9.997 1.00 0.00 H new ATOM 220 N TYR A 16 3.481 3.967 -9.863 1.00 0.00 N ATOM 221 CA TYR A 16 3.620 2.780 -10.767 1.00 0.00 C ATOM 222 C TYR A 16 2.239 2.155 -10.988 1.00 0.00 C ATOM 223 O TYR A 16 1.860 1.803 -12.089 1.00 0.00 O ATOM 224 CB TYR A 16 4.557 1.794 -10.091 1.00 0.00 C ATOM 225 CG TYR A 16 4.632 0.477 -10.877 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.778 0.462 -12.250 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.535 -0.723 -10.205 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.821 -0.731 -12.931 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.578 -1.916 -10.892 1.00 0.00 C ATOM 230 CZ TYR A 16 4.720 -1.928 -12.261 1.00 0.00 C ATOM 231 OH TYR A 16 4.742 -3.105 -12.976 1.00 0.00 O ATOM 0 H TYR A 16 3.454 3.747 -8.867 1.00 0.00 H new ATOM 0 HA TYR A 16 4.025 3.065 -11.738 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.553 2.230 -10.010 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.212 1.597 -9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.859 1.393 -12.792 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.424 -0.728 -9.131 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.935 -0.729 -14.005 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.500 -2.848 -10.353 1.00 0.00 H new ATOM 0 HH TYR A 16 3.893 -3.214 -13.453 1.00 0.00 H new ATOM 241 N VAL A 17 1.529 2.026 -9.905 1.00 0.00 N ATOM 242 CA VAL A 17 0.144 1.435 -9.984 1.00 0.00 C ATOM 243 C VAL A 17 -0.733 2.179 -10.997 1.00 0.00 C ATOM 244 O VAL A 17 -1.620 1.595 -11.585 1.00 0.00 O ATOM 245 CB VAL A 17 -0.606 1.487 -8.613 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.884 0.680 -8.692 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.256 0.865 -7.546 1.00 0.00 C ATOM 0 H VAL A 17 1.834 2.298 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 17 0.296 0.400 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.827 2.528 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.400 0.721 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.528 1.093 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.646 -0.356 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.266 0.901 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.465 -0.172 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.193 1.416 -7.468 1.00 0.00 H new ATOM 257 N GLN A 18 -0.518 3.456 -11.189 1.00 0.00 N ATOM 258 CA GLN A 18 -1.331 4.216 -12.152 1.00 0.00 C ATOM 259 C GLN A 18 -1.113 3.727 -13.592 1.00 0.00 C ATOM 260 O GLN A 18 -1.956 3.915 -14.444 1.00 0.00 O ATOM 261 CB GLN A 18 -0.952 5.685 -11.984 1.00 0.00 C ATOM 262 CG GLN A 18 0.564 5.971 -12.073 1.00 0.00 C ATOM 263 CD GLN A 18 0.763 7.489 -12.178 1.00 0.00 C ATOM 264 OE1 GLN A 18 0.889 8.047 -13.250 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.790 8.207 -11.095 1.00 0.00 N ATOM 0 H GLN A 18 0.198 4.000 -10.708 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.394 4.072 -11.957 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.464 6.269 -12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.318 6.033 -11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.076 5.581 -11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.994 5.471 -12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.686 7.760 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.915 9.217 -11.156 1.00 0.00 H new ATOM 274 N GLY A 19 0.015 3.111 -13.836 1.00 0.00 N ATOM 275 CA GLY A 19 0.318 2.599 -15.213 1.00 0.00 C ATOM 276 C GLY A 19 1.345 3.496 -15.902 1.00 0.00 C ATOM 277 O GLY A 19 1.244 3.777 -17.080 1.00 0.00 O ATOM 0 H GLY A 19 0.743 2.939 -13.142 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.699 1.579 -15.153 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.597 2.563 -15.804 1.00 0.00 H new ATOM 281 N GLY A 20 2.317 3.934 -15.152 1.00 0.00 N ATOM 282 CA GLY A 20 3.381 4.820 -15.721 1.00 0.00 C ATOM 283 C GLY A 20 4.752 4.409 -15.180 1.00 0.00 C ATOM 284 O GLY A 20 4.886 3.344 -14.606 1.00 0.00 O ATOM 0 H GLY A 20 2.424 3.717 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.376 4.755 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.176 5.859 -15.463 1.00 0.00 H new ATOM 288 N PRO A 21 5.741 5.249 -15.367 1.00 0.00 N ATOM 289 CA PRO A 21 7.111 4.968 -14.860 1.00 0.00 C ATOM 290 C PRO A 21 7.134 5.089 -13.324 1.00 0.00 C ATOM 291 O PRO A 21 6.575 6.013 -12.769 1.00 0.00 O ATOM 292 CB PRO A 21 7.972 6.003 -15.573 1.00 0.00 C ATOM 293 CG PRO A 21 7.000 7.215 -15.650 1.00 0.00 C ATOM 294 CD PRO A 21 5.670 6.560 -16.080 1.00 0.00 C ATOM 0 HA PRO A 21 7.474 3.960 -15.060 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.878 6.238 -15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.286 5.665 -16.561 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.909 7.722 -14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.337 7.958 -16.372 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.805 7.148 -15.773 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.604 6.436 -17.161 1.00 0.00 H new ATOM 302 N GLY A 22 7.784 4.172 -12.657 1.00 0.00 N ATOM 303 CA GLY A 22 7.841 4.230 -11.173 1.00 0.00 C ATOM 304 C GLY A 22 8.176 2.828 -10.646 1.00 0.00 C ATOM 305 O GLY A 22 8.674 2.014 -11.397 1.00 0.00 O ATOM 0 H GLY A 22 8.277 3.386 -13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.596 4.947 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.887 4.569 -10.770 1.00 0.00 H new ATOM 309 N PRO A 23 7.892 2.573 -9.390 1.00 0.00 N ATOM 310 CA PRO A 23 7.197 3.525 -8.484 1.00 0.00 C ATOM 311 C PRO A 23 8.097 4.690 -8.055 1.00 0.00 C ATOM 312 O PRO A 23 7.812 5.825 -8.383 1.00 0.00 O ATOM 313 CB PRO A 23 6.752 2.638 -7.339 1.00 0.00 C ATOM 314 CG PRO A 23 7.846 1.534 -7.257 1.00 0.00 C ATOM 315 CD PRO A 23 8.223 1.283 -8.727 1.00 0.00 C ATOM 0 HA PRO A 23 6.358 4.039 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.682 3.198 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.768 2.209 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.706 1.865 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.467 0.630 -6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.279 1.035 -8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.656 0.455 -9.152 1.00 0.00 H new ATOM 323 N SER A 24 9.153 4.362 -7.354 1.00 0.00 N ATOM 324 CA SER A 24 10.126 5.385 -6.846 1.00 0.00 C ATOM 325 C SER A 24 11.089 4.717 -5.873 1.00 0.00 C ATOM 326 O SER A 24 10.812 3.662 -5.332 1.00 0.00 O ATOM 327 CB SER A 24 9.370 6.490 -6.090 1.00 0.00 C ATOM 328 OG SER A 24 8.657 5.704 -5.142 1.00 0.00 O ATOM 0 H SER A 24 9.390 3.402 -7.105 1.00 0.00 H new ATOM 0 HA SER A 24 10.667 5.813 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.043 7.205 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.707 7.060 -6.741 1.00 0.00 H new ATOM 0 HG SER A 24 7.739 5.567 -5.455 1.00 0.00 H new ATOM 334 N GLY A 25 12.211 5.345 -5.652 1.00 0.00 N ATOM 335 CA GLY A 25 13.195 4.754 -4.703 1.00 0.00 C ATOM 336 C GLY A 25 12.611 4.854 -3.288 1.00 0.00 C ATOM 337 O GLY A 25 13.199 4.332 -2.364 1.00 0.00 O ATOM 0 H GLY A 25 12.486 6.229 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.394 3.714 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.146 5.284 -4.761 1.00 0.00 H new ATOM 341 N GLN A 26 11.483 5.513 -3.149 1.00 0.00 N ATOM 342 CA GLN A 26 10.870 5.643 -1.785 1.00 0.00 C ATOM 343 C GLN A 26 9.783 4.556 -1.653 1.00 0.00 C ATOM 344 O GLN A 26 9.392 4.232 -0.551 1.00 0.00 O ATOM 345 CB GLN A 26 10.293 7.085 -1.658 1.00 0.00 C ATOM 346 CG GLN A 26 10.067 7.469 -0.167 1.00 0.00 C ATOM 347 CD GLN A 26 9.786 8.985 -0.050 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.425 9.810 -0.668 1.00 0.00 O ATOM 349 NE2 GLN A 26 8.849 9.432 0.731 1.00 0.00 N ATOM 0 H GLN A 26 10.967 5.960 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 26 11.592 5.498 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.978 7.796 -2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.350 7.152 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.229 6.903 0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.946 7.207 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.282 8.780 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.680 10.435 0.802 1.00 0.00 H new ATOM 358 N CYS A 27 9.312 4.009 -2.750 1.00 0.00 N ATOM 359 CA CYS A 27 8.265 2.943 -2.642 1.00 0.00 C ATOM 360 C CYS A 27 8.813 1.782 -1.802 1.00 0.00 C ATOM 361 O CYS A 27 8.117 1.229 -0.976 1.00 0.00 O ATOM 362 CB CYS A 27 7.901 2.468 -4.044 1.00 0.00 C ATOM 363 SG CYS A 27 6.725 1.098 -4.145 1.00 0.00 S ATOM 0 H CYS A 27 9.601 4.249 -3.698 1.00 0.00 H new ATOM 0 HA CYS A 27 7.371 3.333 -2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.490 3.313 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.818 2.170 -4.553 1.00 0.00 H new ATOM 368 N CYS A 28 10.061 1.445 -1.995 1.00 0.00 N ATOM 369 CA CYS A 28 10.633 0.314 -1.195 1.00 0.00 C ATOM 370 C CYS A 28 11.023 0.786 0.189 1.00 0.00 C ATOM 371 O CYS A 28 10.470 0.326 1.155 1.00 0.00 O ATOM 372 CB CYS A 28 11.834 -0.250 -1.944 1.00 0.00 C ATOM 373 SG CYS A 28 11.303 -1.404 -3.220 1.00 0.00 S ATOM 0 H CYS A 28 10.699 1.890 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 28 9.886 -0.469 -1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.402 0.563 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.501 -0.755 -1.245 1.00 0.00 H new ATOM 378 N ASP A 29 11.943 1.689 0.293 1.00 0.00 N ATOM 379 CA ASP A 29 12.368 2.205 1.626 1.00 0.00 C ATOM 380 C ASP A 29 11.137 2.669 2.416 1.00 0.00 C ATOM 381 O ASP A 29 10.901 2.281 3.548 1.00 0.00 O ATOM 382 CB ASP A 29 13.264 3.415 1.431 1.00 0.00 C ATOM 383 CG ASP A 29 13.887 3.724 2.778 1.00 0.00 C ATOM 384 OD1 ASP A 29 13.205 4.388 3.538 1.00 0.00 O ATOM 385 OD2 ASP A 29 14.994 3.271 2.972 1.00 0.00 O ATOM 0 H ASP A 29 12.432 2.104 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 29 12.891 1.412 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.034 3.209 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.689 4.267 1.067 1.00 0.00 H new ATOM 390 N GLY A 30 10.351 3.465 1.748 1.00 0.00 N ATOM 391 CA GLY A 30 9.116 4.033 2.358 1.00 0.00 C ATOM 392 C GLY A 30 8.145 2.977 2.868 1.00 0.00 C ATOM 393 O GLY A 30 7.774 2.939 4.031 1.00 0.00 O ATOM 0 H GLY A 30 10.516 3.752 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.397 4.686 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.609 4.654 1.620 1.00 0.00 H new ATOM 397 N VAL A 31 7.754 2.095 1.994 1.00 0.00 N ATOM 398 CA VAL A 31 6.790 1.040 2.413 1.00 0.00 C ATOM 399 C VAL A 31 7.453 -0.012 3.317 1.00 0.00 C ATOM 400 O VAL A 31 6.815 -0.481 4.238 1.00 0.00 O ATOM 401 CB VAL A 31 6.217 0.465 1.109 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.176 -0.577 1.413 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.540 1.567 0.327 1.00 0.00 C ATOM 0 H VAL A 31 8.054 2.057 1.020 1.00 0.00 H new ATOM 0 HA VAL A 31 5.986 1.439 3.031 1.00 0.00 H new ATOM 0 HB VAL A 31 7.036 0.026 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.778 -0.977 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.627 -1.384 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.368 -0.127 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.133 1.159 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.732 1.992 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.266 2.345 0.092 1.00 0.00 H new ATOM 413 N LYS A 32 8.691 -0.350 3.057 1.00 0.00 N ATOM 414 CA LYS A 32 9.439 -1.353 3.868 1.00 0.00 C ATOM 415 C LYS A 32 9.386 -0.842 5.316 1.00 0.00 C ATOM 416 O LYS A 32 9.084 -1.584 6.234 1.00 0.00 O ATOM 417 CB LYS A 32 10.900 -1.410 3.319 1.00 0.00 C ATOM 418 CG LYS A 32 11.767 -2.443 4.056 1.00 0.00 C ATOM 419 CD LYS A 32 13.270 -2.384 3.607 1.00 0.00 C ATOM 420 CE LYS A 32 13.477 -2.775 2.114 1.00 0.00 C ATOM 421 NZ LYS A 32 14.940 -2.998 1.838 1.00 0.00 N ATOM 0 H LYS A 32 9.231 0.045 2.287 1.00 0.00 H new ATOM 0 HA LYS A 32 9.024 -2.360 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.876 -1.653 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.358 -0.425 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.703 -2.268 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.374 -3.443 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.652 -1.376 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.858 -3.052 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.913 -3.679 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.092 -1.987 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.069 -3.259 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.468 -2.125 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.295 -3.765 2.444 1.00 0.00 H new ATOM 435 N ASN A 33 9.661 0.429 5.464 1.00 0.00 N ATOM 436 CA ASN A 33 9.645 1.052 6.819 1.00 0.00 C ATOM 437 C ASN A 33 8.264 0.955 7.442 1.00 0.00 C ATOM 438 O ASN A 33 8.125 0.430 8.523 1.00 0.00 O ATOM 439 CB ASN A 33 10.092 2.517 6.670 1.00 0.00 C ATOM 440 CG ASN A 33 11.627 2.567 6.674 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.254 2.174 7.639 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.280 3.027 5.652 1.00 0.00 N ATOM 0 H ASN A 33 9.897 1.063 4.701 1.00 0.00 H new ATOM 0 HA ASN A 33 10.327 0.525 7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.703 2.938 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.692 3.119 7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.300 3.054 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.774 3.362 4.832 1.00 0.00 H new ATOM 449 N LEU A 34 7.268 1.441 6.756 1.00 0.00 N ATOM 450 CA LEU A 34 5.865 1.386 7.292 1.00 0.00 C ATOM 451 C LEU A 34 5.533 -0.048 7.690 1.00 0.00 C ATOM 452 O LEU A 34 5.193 -0.319 8.820 1.00 0.00 O ATOM 453 CB LEU A 34 4.890 1.856 6.199 1.00 0.00 C ATOM 454 CG LEU A 34 3.392 1.964 6.683 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.596 2.575 5.560 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.723 0.655 7.039 1.00 0.00 C ATOM 0 H LEU A 34 7.359 1.879 5.839 1.00 0.00 H new ATOM 0 HA LEU A 34 5.776 2.033 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.214 2.830 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.941 1.164 5.358 1.00 0.00 H new ATOM 0 HG LEU A 34 3.416 2.556 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.552 2.665 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.993 3.563 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.666 1.940 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.698 0.845 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.716 0.001 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.272 0.174 7.849 1.00 0.00 H new ATOM 468 N HIS A 35 5.665 -0.952 6.759 1.00 0.00 N ATOM 469 CA HIS A 35 5.357 -2.391 7.036 1.00 0.00 C ATOM 470 C HIS A 35 6.062 -2.846 8.322 1.00 0.00 C ATOM 471 O HIS A 35 5.438 -3.300 9.264 1.00 0.00 O ATOM 472 CB HIS A 35 5.830 -3.247 5.828 1.00 0.00 C ATOM 473 CG HIS A 35 5.192 -4.657 5.854 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.583 -5.678 5.157 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.114 -5.152 6.574 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.832 -6.705 5.408 1.00 0.00 C ATOM 477 NE2 HIS A 35 3.904 -6.421 6.286 1.00 0.00 N ATOM 0 H HIS A 35 5.976 -0.757 5.807 1.00 0.00 H new ATOM 0 HA HIS A 35 4.283 -2.517 7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.567 -2.744 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.916 -3.337 5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.527 -4.576 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.957 -7.675 4.949 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.184 -7.039 6.661 1.00 0.00 H new ATOM 485 N ASN A 36 7.362 -2.689 8.337 1.00 0.00 N ATOM 486 CA ASN A 36 8.154 -3.100 9.539 1.00 0.00 C ATOM 487 C ASN A 36 7.649 -2.370 10.793 1.00 0.00 C ATOM 488 O ASN A 36 7.576 -2.942 11.860 1.00 0.00 O ATOM 489 CB ASN A 36 9.640 -2.760 9.275 1.00 0.00 C ATOM 490 CG ASN A 36 10.493 -3.942 9.715 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.976 -4.029 10.822 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.697 -4.895 8.859 1.00 0.00 N ATOM 0 H ASN A 36 7.909 -2.295 7.571 1.00 0.00 H new ATOM 0 HA ASN A 36 8.041 -4.170 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.798 -2.552 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.926 -1.862 9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.258 -5.705 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.296 -4.834 7.923 1.00 0.00 H new ATOM 499 N GLN A 37 7.324 -1.115 10.637 1.00 0.00 N ATOM 500 CA GLN A 37 6.813 -0.292 11.773 1.00 0.00 C ATOM 501 C GLN A 37 5.454 -0.830 12.244 1.00 0.00 C ATOM 502 O GLN A 37 5.155 -0.826 13.424 1.00 0.00 O ATOM 503 CB GLN A 37 6.660 1.192 11.293 1.00 0.00 C ATOM 504 CG GLN A 37 5.736 1.987 12.260 1.00 0.00 C ATOM 505 CD GLN A 37 5.432 3.392 11.732 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.280 4.254 11.650 1.00 0.00 O ATOM 507 NE2 GLN A 37 4.223 3.679 11.354 1.00 0.00 N ATOM 0 H GLN A 37 7.393 -0.614 9.751 1.00 0.00 H new ATOM 0 HA GLN A 37 7.514 -0.342 12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.640 1.667 11.245 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.245 1.213 10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.803 1.442 12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.212 2.062 13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.489 2.973 11.412 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.007 4.611 10.999 1.00 0.00 H new ATOM 516 N ALA A 38 4.663 -1.279 11.311 1.00 0.00 N ATOM 517 CA ALA A 38 3.308 -1.819 11.647 1.00 0.00 C ATOM 518 C ALA A 38 3.385 -3.146 12.418 1.00 0.00 C ATOM 519 O ALA A 38 3.570 -4.211 11.854 1.00 0.00 O ATOM 520 CB ALA A 38 2.548 -2.032 10.360 1.00 0.00 C ATOM 0 H ALA A 38 4.896 -1.297 10.318 1.00 0.00 H new ATOM 0 HA ALA A 38 2.802 -1.099 12.290 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.557 -2.426 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.451 -1.083 9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.087 -2.742 9.732 1.00 0.00 H new ATOM 526 N ARG A 39 3.234 -3.068 13.706 1.00 0.00 N ATOM 527 CA ARG A 39 3.285 -4.278 14.582 1.00 0.00 C ATOM 528 C ARG A 39 1.905 -4.645 15.140 1.00 0.00 C ATOM 529 O ARG A 39 1.667 -5.786 15.491 1.00 0.00 O ATOM 530 CB ARG A 39 4.221 -3.927 15.692 1.00 0.00 C ATOM 531 CG ARG A 39 4.409 -5.093 16.663 1.00 0.00 C ATOM 532 CD ARG A 39 5.224 -4.594 17.851 1.00 0.00 C ATOM 533 NE ARG A 39 5.358 -5.760 18.768 1.00 0.00 N ATOM 534 CZ ARG A 39 6.538 -6.229 19.023 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.208 -6.665 18.000 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.961 -6.225 20.251 1.00 0.00 N ATOM 0 H ARG A 39 3.073 -2.194 14.207 1.00 0.00 H new ATOM 0 HA ARG A 39 3.618 -5.149 14.018 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.187 -3.640 15.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.837 -3.062 16.232 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.442 -5.470 16.996 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.921 -5.920 16.170 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.202 -4.234 17.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.724 -3.762 18.347 1.00 0.00 H new ATOM 0 HE ARG A 39 4.531 -6.184 19.190 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.798 -6.625 17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.145 -7.048 18.129 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.367 -5.857 20.994 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.887 -6.590 20.472 1.00 0.00 H new ATOM 550 N SER A 40 1.039 -3.678 15.208 1.00 0.00 N ATOM 551 CA SER A 40 -0.332 -3.924 15.750 1.00 0.00 C ATOM 552 C SER A 40 -1.444 -3.648 14.727 1.00 0.00 C ATOM 553 O SER A 40 -1.218 -3.191 13.621 1.00 0.00 O ATOM 554 CB SER A 40 -0.468 -3.030 16.994 1.00 0.00 C ATOM 555 OG SER A 40 0.041 -1.790 16.524 1.00 0.00 O ATOM 0 H SER A 40 1.218 -2.719 14.911 1.00 0.00 H new ATOM 0 HA SER A 40 -0.451 -4.978 16.000 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.503 -2.947 17.325 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.107 -3.414 17.837 1.00 0.00 H new ATOM 0 HG SER A 40 -0.695 -1.150 16.428 1.00 0.00 H new ATOM 561 N GLN A 41 -2.664 -3.906 15.116 1.00 0.00 N ATOM 562 CA GLN A 41 -3.803 -3.668 14.172 1.00 0.00 C ATOM 563 C GLN A 41 -3.935 -2.168 13.854 1.00 0.00 C ATOM 564 O GLN A 41 -4.340 -1.780 12.786 1.00 0.00 O ATOM 565 CB GLN A 41 -5.093 -4.240 14.832 1.00 0.00 C ATOM 566 CG GLN A 41 -6.277 -4.239 13.832 1.00 0.00 C ATOM 567 CD GLN A 41 -7.414 -5.118 14.378 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.969 -4.871 15.429 1.00 0.00 O ATOM 569 NE2 GLN A 41 -7.805 -6.159 13.709 1.00 0.00 N ATOM 0 H GLN A 41 -2.923 -4.267 16.034 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.630 -4.172 13.221 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.908 -5.256 15.180 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.352 -3.645 15.708 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.634 -3.221 13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.948 -4.613 12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.358 -6.393 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.559 -6.743 14.070 1.00 0.00 H new ATOM 578 N SER A 42 -3.580 -1.333 14.786 1.00 0.00 N ATOM 579 CA SER A 42 -3.671 0.134 14.573 1.00 0.00 C ATOM 580 C SER A 42 -2.859 0.579 13.356 1.00 0.00 C ATOM 581 O SER A 42 -3.275 1.485 12.670 1.00 0.00 O ATOM 582 CB SER A 42 -3.180 0.806 15.887 1.00 0.00 C ATOM 583 OG SER A 42 -2.025 0.084 16.332 1.00 0.00 O ATOM 0 H SER A 42 -3.225 -1.610 15.701 1.00 0.00 H new ATOM 0 HA SER A 42 -4.696 0.433 14.356 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.934 1.854 15.714 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.963 0.783 16.645 1.00 0.00 H new ATOM 0 HG SER A 42 -2.250 -0.429 17.136 1.00 0.00 H new ATOM 589 N ASP A 43 -1.742 -0.060 13.117 1.00 0.00 N ATOM 590 CA ASP A 43 -0.911 0.342 11.942 1.00 0.00 C ATOM 591 C ASP A 43 -1.343 -0.484 10.717 1.00 0.00 C ATOM 592 O ASP A 43 -1.386 -0.016 9.592 1.00 0.00 O ATOM 593 CB ASP A 43 0.564 0.099 12.248 1.00 0.00 C ATOM 594 CG ASP A 43 1.367 0.883 11.169 1.00 0.00 C ATOM 595 OD1 ASP A 43 1.116 0.726 9.990 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.223 1.642 11.579 1.00 0.00 O ATOM 0 H ASP A 43 -1.374 -0.831 13.675 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.054 1.402 11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.816 0.447 13.250 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.799 -0.965 12.211 1.00 0.00 H new ATOM 601 N ARG A 44 -1.738 -1.696 10.953 1.00 0.00 N ATOM 602 CA ARG A 44 -2.159 -2.573 9.821 1.00 0.00 C ATOM 603 C ARG A 44 -3.539 -2.205 9.262 1.00 0.00 C ATOM 604 O ARG A 44 -3.769 -2.275 8.071 1.00 0.00 O ATOM 605 CB ARG A 44 -2.119 -3.995 10.355 1.00 0.00 C ATOM 606 CG ARG A 44 -0.648 -4.293 10.810 1.00 0.00 C ATOM 607 CD ARG A 44 -0.588 -5.639 11.529 1.00 0.00 C ATOM 608 NE ARG A 44 -1.201 -6.612 10.587 1.00 0.00 N ATOM 609 CZ ARG A 44 -0.642 -7.735 10.282 1.00 0.00 C ATOM 610 NH1 ARG A 44 0.594 -7.695 9.880 1.00 0.00 N ATOM 611 NH2 ARG A 44 -1.370 -8.806 10.400 1.00 0.00 N ATOM 0 H ARG A 44 -1.790 -2.123 11.878 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.486 -2.450 8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.808 -4.109 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.432 -4.701 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.014 -4.304 9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.295 -3.502 11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.440 -5.914 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.134 -5.606 12.472 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.100 -6.383 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.081 -6.801 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.077 -8.558 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.335 -8.734 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.976 -9.718 10.172 1.00 0.00 H new ATOM 625 N GLN A 45 -4.418 -1.811 10.131 1.00 0.00 N ATOM 626 CA GLN A 45 -5.805 -1.425 9.741 1.00 0.00 C ATOM 627 C GLN A 45 -5.725 0.020 9.188 1.00 0.00 C ATOM 628 O GLN A 45 -6.337 0.334 8.189 1.00 0.00 O ATOM 629 CB GLN A 45 -6.610 -1.617 11.060 1.00 0.00 C ATOM 630 CG GLN A 45 -8.137 -1.899 10.954 1.00 0.00 C ATOM 631 CD GLN A 45 -8.607 -2.148 12.413 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.227 -1.438 13.327 1.00 0.00 O ATOM 633 NE2 GLN A 45 -9.414 -3.104 12.770 1.00 0.00 N ATOM 0 H GLN A 45 -4.230 -1.737 11.131 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.291 -2.001 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.156 -2.441 11.610 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.478 -0.720 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.663 -1.054 10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.335 -2.766 10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.783 -3.748 12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.678 -3.209 13.750 1.00 0.00 H new ATOM 642 N SER A 46 -4.951 0.876 9.812 1.00 0.00 N ATOM 643 CA SER A 46 -4.867 2.283 9.291 1.00 0.00 C ATOM 644 C SER A 46 -4.328 2.298 7.856 1.00 0.00 C ATOM 645 O SER A 46 -4.977 2.763 6.938 1.00 0.00 O ATOM 646 CB SER A 46 -3.931 3.117 10.166 1.00 0.00 C ATOM 647 OG SER A 46 -4.636 3.360 11.379 1.00 0.00 O ATOM 0 H SER A 46 -4.387 0.673 10.637 1.00 0.00 H new ATOM 0 HA SER A 46 -5.872 2.705 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.999 2.585 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.668 4.053 9.674 1.00 0.00 H new ATOM 0 HG SER A 46 -4.462 2.631 12.010 1.00 0.00 H new ATOM 653 N ALA A 47 -3.152 1.753 7.669 1.00 0.00 N ATOM 654 CA ALA A 47 -2.572 1.753 6.297 1.00 0.00 C ATOM 655 C ALA A 47 -3.488 1.089 5.284 1.00 0.00 C ATOM 656 O ALA A 47 -3.525 1.531 4.150 1.00 0.00 O ATOM 657 CB ALA A 47 -1.235 1.054 6.350 1.00 0.00 C ATOM 0 H ALA A 47 -2.580 1.317 8.393 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.450 2.784 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.791 1.042 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.574 1.584 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.373 0.030 6.698 1.00 0.00 H new ATOM 663 N CYS A 48 -4.198 0.064 5.681 1.00 0.00 N ATOM 664 CA CYS A 48 -5.110 -0.600 4.703 1.00 0.00 C ATOM 665 C CYS A 48 -6.147 0.449 4.228 1.00 0.00 C ATOM 666 O CYS A 48 -6.502 0.541 3.062 1.00 0.00 O ATOM 667 CB CYS A 48 -5.756 -1.783 5.412 1.00 0.00 C ATOM 668 SG CYS A 48 -6.540 -3.038 4.375 1.00 0.00 S ATOM 0 H CYS A 48 -4.187 -0.335 6.620 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.588 -0.973 3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.993 -2.273 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.507 -1.396 6.100 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.038 -3.974 5.128 1.00 0.00 H new ATOM 673 N ASN A 49 -6.610 1.265 5.137 1.00 0.00 N ATOM 674 CA ASN A 49 -7.613 2.300 4.737 1.00 0.00 C ATOM 675 C ASN A 49 -7.032 3.278 3.718 1.00 0.00 C ATOM 676 O ASN A 49 -7.750 3.675 2.823 1.00 0.00 O ATOM 677 CB ASN A 49 -8.079 3.004 6.001 1.00 0.00 C ATOM 678 CG ASN A 49 -8.979 2.021 6.684 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.068 1.721 6.239 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.596 1.474 7.772 1.00 0.00 N ATOM 0 H ASN A 49 -6.345 1.263 6.122 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.464 1.830 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.235 3.274 6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.609 3.927 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.200 0.803 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.686 1.708 8.168 1.00 0.00 H new ATOM 687 N CYS A 50 -5.780 3.620 3.853 1.00 0.00 N ATOM 688 CA CYS A 50 -5.156 4.573 2.876 1.00 0.00 C ATOM 689 C CYS A 50 -5.342 4.042 1.441 1.00 0.00 C ATOM 690 O CYS A 50 -5.959 4.653 0.587 1.00 0.00 O ATOM 691 CB CYS A 50 -3.658 4.727 3.212 1.00 0.00 C ATOM 692 SG CYS A 50 -3.226 5.612 4.727 1.00 0.00 S ATOM 0 H CYS A 50 -5.161 3.286 4.591 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.638 5.548 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.223 3.729 3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.177 5.236 2.377 1.00 0.00 H new ATOM 697 N LEU A 51 -4.835 2.868 1.225 1.00 0.00 N ATOM 698 CA LEU A 51 -4.913 2.195 -0.106 1.00 0.00 C ATOM 699 C LEU A 51 -6.374 2.033 -0.536 1.00 0.00 C ATOM 700 O LEU A 51 -6.704 2.274 -1.679 1.00 0.00 O ATOM 701 CB LEU A 51 -4.227 0.828 0.053 1.00 0.00 C ATOM 702 CG LEU A 51 -2.786 0.968 0.665 1.00 0.00 C ATOM 703 CD1 LEU A 51 -2.283 -0.385 1.112 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.858 1.530 -0.384 1.00 0.00 C ATOM 0 H LEU A 51 -4.351 2.323 1.939 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.420 2.784 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.834 0.189 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.164 0.337 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.820 1.636 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.284 -0.280 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.956 -0.792 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.246 -1.060 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.856 1.630 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.829 0.858 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.218 2.508 -0.702 1.00 0.00 H new ATOM 716 N LYS A 52 -7.213 1.643 0.392 1.00 0.00 N ATOM 717 CA LYS A 52 -8.659 1.441 0.080 1.00 0.00 C ATOM 718 C LYS A 52 -9.360 2.744 -0.326 1.00 0.00 C ATOM 719 O LYS A 52 -9.947 2.827 -1.389 1.00 0.00 O ATOM 720 CB LYS A 52 -9.281 0.779 1.350 1.00 0.00 C ATOM 721 CG LYS A 52 -10.679 0.191 1.018 1.00 0.00 C ATOM 722 CD LYS A 52 -10.983 -0.971 2.007 1.00 0.00 C ATOM 723 CE LYS A 52 -12.419 -1.520 1.782 1.00 0.00 C ATOM 724 NZ LYS A 52 -13.431 -0.571 2.360 1.00 0.00 N ATOM 0 H LYS A 52 -6.954 1.455 1.360 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.789 0.797 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.624 -0.010 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.369 1.517 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.443 0.965 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.701 -0.173 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.256 -1.772 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.879 -0.619 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.602 -1.655 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.519 -2.500 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.387 -0.955 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.252 -0.450 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.355 0.350 1.884 1.00 0.00 H new ATOM 738 N GLY A 53 -9.290 3.744 0.507 1.00 0.00 N ATOM 739 CA GLY A 53 -9.943 5.052 0.189 1.00 0.00 C ATOM 740 C GLY A 53 -9.363 5.577 -1.127 1.00 0.00 C ATOM 741 O GLY A 53 -10.092 6.125 -1.932 1.00 0.00 O ATOM 0 H GLY A 53 -8.805 3.714 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.022 4.926 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.768 5.768 0.992 1.00 0.00 H new ATOM 745 N ILE A 54 -8.083 5.379 -1.306 1.00 0.00 N ATOM 746 CA ILE A 54 -7.388 5.838 -2.545 1.00 0.00 C ATOM 747 C ILE A 54 -7.849 5.053 -3.771 1.00 0.00 C ATOM 748 O ILE A 54 -8.425 5.629 -4.665 1.00 0.00 O ATOM 749 CB ILE A 54 -5.849 5.673 -2.264 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.382 6.855 -1.337 1.00 0.00 C ATOM 751 CG2 ILE A 54 -5.020 5.601 -3.523 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.909 6.692 -0.832 1.00 0.00 C ATOM 0 H ILE A 54 -7.479 4.909 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.624 6.877 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.693 4.717 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.471 7.794 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.049 6.921 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.968 5.487 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.339 4.747 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.153 6.517 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.646 7.538 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.821 5.768 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.233 6.655 -1.687 1.00 0.00 H new ATOM 764 N ALA A 55 -7.589 3.778 -3.786 1.00 0.00 N ATOM 765 CA ALA A 55 -7.982 2.899 -4.926 1.00 0.00 C ATOM 766 C ALA A 55 -9.415 3.173 -5.391 1.00 0.00 C ATOM 767 O ALA A 55 -9.729 3.143 -6.564 1.00 0.00 O ATOM 768 CB ALA A 55 -7.861 1.468 -4.470 1.00 0.00 C ATOM 0 H ALA A 55 -7.105 3.291 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.325 3.101 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.143 0.801 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.831 1.266 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.521 1.300 -3.619 1.00 0.00 H new ATOM 774 N ARG A 56 -10.251 3.451 -4.430 1.00 0.00 N ATOM 775 CA ARG A 56 -11.689 3.735 -4.703 1.00 0.00 C ATOM 776 C ARG A 56 -11.917 5.047 -5.473 1.00 0.00 C ATOM 777 O ARG A 56 -12.936 5.202 -6.114 1.00 0.00 O ATOM 778 CB ARG A 56 -12.325 3.705 -3.305 1.00 0.00 C ATOM 779 CG ARG A 56 -13.857 3.751 -3.345 1.00 0.00 C ATOM 780 CD ARG A 56 -14.359 3.392 -1.928 1.00 0.00 C ATOM 781 NE ARG A 56 -13.695 4.323 -0.955 1.00 0.00 N ATOM 782 CZ ARG A 56 -14.439 5.094 -0.216 1.00 0.00 C ATOM 783 NH1 ARG A 56 -15.126 6.016 -0.829 1.00 0.00 N ATOM 784 NH2 ARG A 56 -14.457 4.901 1.071 1.00 0.00 N ATOM 0 H ARG A 56 -9.992 3.494 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.145 3.007 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.007 2.801 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.956 4.551 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.205 4.742 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.245 3.047 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.443 3.490 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.119 2.356 -1.689 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.679 4.351 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.065 6.108 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.724 6.646 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.895 4.156 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.033 5.494 1.668 1.00 0.00 H new ATOM 798 N GLY A 57 -10.986 5.956 -5.387 1.00 0.00 N ATOM 799 CA GLY A 57 -11.130 7.255 -6.106 1.00 0.00 C ATOM 800 C GLY A 57 -10.283 7.252 -7.383 1.00 0.00 C ATOM 801 O GLY A 57 -9.928 8.314 -7.853 1.00 0.00 O ATOM 0 H GLY A 57 -10.127 5.855 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.177 7.426 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.819 8.074 -5.457 1.00 0.00 H new ATOM 805 N ILE A 58 -9.972 6.087 -7.913 1.00 0.00 N ATOM 806 CA ILE A 58 -9.155 6.042 -9.168 1.00 0.00 C ATOM 807 C ILE A 58 -9.979 5.287 -10.226 1.00 0.00 C ATOM 808 O ILE A 58 -10.582 4.272 -9.943 1.00 0.00 O ATOM 809 CB ILE A 58 -7.784 5.313 -8.875 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.103 6.038 -7.657 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.883 5.406 -10.089 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.686 5.480 -7.315 1.00 0.00 C ATOM 0 H ILE A 58 -10.245 5.180 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.924 7.043 -9.532 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.955 4.261 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.023 7.103 -7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.745 5.941 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.939 4.902 -9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.369 4.930 -10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.691 6.454 -10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.275 6.026 -6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.762 4.422 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.029 5.602 -8.176 1.00 0.00 H new ATOM 824 N HIS A 59 -9.989 5.802 -11.430 1.00 0.00 N ATOM 825 CA HIS A 59 -10.772 5.134 -12.517 1.00 0.00 C ATOM 826 C HIS A 59 -9.867 4.118 -13.234 1.00 0.00 C ATOM 827 O HIS A 59 -10.340 3.099 -13.699 1.00 0.00 O ATOM 828 CB HIS A 59 -11.283 6.223 -13.485 1.00 0.00 C ATOM 829 CG HIS A 59 -12.438 5.658 -14.325 1.00 0.00 C ATOM 830 ND1 HIS A 59 -13.562 5.217 -13.852 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.557 5.489 -15.692 1.00 0.00 C ATOM 832 CE1 HIS A 59 -14.315 4.811 -14.823 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.729 4.961 -15.986 1.00 0.00 N ATOM 0 H HIS A 59 -9.493 6.649 -11.707 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.629 4.595 -12.114 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.619 7.095 -12.924 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.474 6.555 -14.136 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.799 5.752 -16.415 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.305 4.399 -14.691 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.096 4.724 -16.908 1.00 0.00 H new ATOM 841 N ASN A 60 -8.589 4.399 -13.302 1.00 0.00 N ATOM 842 CA ASN A 60 -7.632 3.461 -13.983 1.00 0.00 C ATOM 843 C ASN A 60 -6.793 2.746 -12.902 1.00 0.00 C ATOM 844 O ASN A 60 -5.655 3.093 -12.641 1.00 0.00 O ATOM 845 CB ASN A 60 -6.679 4.241 -14.917 1.00 0.00 C ATOM 846 CG ASN A 60 -5.894 3.253 -15.802 1.00 0.00 C ATOM 847 OD1 ASN A 60 -5.272 2.311 -15.359 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.898 3.437 -17.091 1.00 0.00 N ATOM 0 H ASN A 60 -8.162 5.240 -12.915 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.197 2.742 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.249 4.929 -15.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.988 4.843 -14.327 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.387 2.797 -17.699 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.412 4.221 -17.493 1.00 0.00 H new ATOM 855 N LEU A 61 -7.372 1.765 -12.269 1.00 0.00 N ATOM 856 CA LEU A 61 -6.610 1.032 -11.211 1.00 0.00 C ATOM 857 C LEU A 61 -5.866 -0.132 -11.878 1.00 0.00 C ATOM 858 O LEU A 61 -6.460 -0.892 -12.616 1.00 0.00 O ATOM 859 CB LEU A 61 -7.572 0.449 -10.161 1.00 0.00 C ATOM 860 CG LEU A 61 -6.830 0.355 -8.803 1.00 0.00 C ATOM 861 CD1 LEU A 61 -6.900 1.709 -8.139 1.00 0.00 C ATOM 862 CD2 LEU A 61 -7.449 -0.706 -7.927 1.00 0.00 C ATOM 0 H LEU A 61 -8.325 1.440 -12.432 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.920 1.720 -10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.455 1.081 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.918 -0.537 -10.472 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.790 0.072 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.384 1.671 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.423 2.453 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.943 1.983 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.912 -0.754 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.494 -0.459 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.388 -1.672 -8.428 1.00 0.00 H new ATOM 874 N ASN A 62 -4.593 -0.257 -11.602 1.00 0.00 N ATOM 875 CA ASN A 62 -3.801 -1.367 -12.215 1.00 0.00 C ATOM 876 C ASN A 62 -3.324 -2.356 -11.132 1.00 0.00 C ATOM 877 O ASN A 62 -2.288 -2.156 -10.512 1.00 0.00 O ATOM 878 CB ASN A 62 -2.617 -0.737 -12.948 1.00 0.00 C ATOM 879 CG ASN A 62 -1.947 -1.775 -13.813 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.441 -2.751 -13.315 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.908 -1.626 -15.099 1.00 0.00 N ATOM 0 H ASN A 62 -4.069 0.359 -10.981 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.414 -1.935 -12.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.958 0.097 -13.561 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.904 -0.333 -12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.453 -2.330 -15.680 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.332 -0.805 -15.530 1.00 0.00 H new ATOM 888 N GLU A 63 -4.100 -3.392 -10.929 1.00 0.00 N ATOM 889 CA GLU A 63 -3.741 -4.422 -9.906 1.00 0.00 C ATOM 890 C GLU A 63 -2.409 -5.090 -10.273 1.00 0.00 C ATOM 891 O GLU A 63 -1.624 -5.407 -9.396 1.00 0.00 O ATOM 892 CB GLU A 63 -4.907 -5.423 -9.830 1.00 0.00 C ATOM 893 CG GLU A 63 -6.151 -4.655 -9.309 1.00 0.00 C ATOM 894 CD GLU A 63 -7.337 -5.612 -9.196 1.00 0.00 C ATOM 895 OE1 GLU A 63 -7.398 -6.348 -8.217 1.00 0.00 O ATOM 896 OE2 GLU A 63 -8.112 -5.534 -10.131 1.00 0.00 O ATOM 0 H GLU A 63 -4.970 -3.569 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.595 -3.975 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.106 -5.854 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.660 -6.249 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.936 -4.211 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.395 -3.836 -9.986 1.00 0.00 H new ATOM 903 N ASP A 64 -2.176 -5.269 -11.549 1.00 0.00 N ATOM 904 CA ASP A 64 -0.902 -5.907 -12.010 1.00 0.00 C ATOM 905 C ASP A 64 0.274 -5.145 -11.398 1.00 0.00 C ATOM 906 O ASP A 64 1.162 -5.730 -10.816 1.00 0.00 O ATOM 907 CB ASP A 64 -0.796 -5.837 -13.544 1.00 0.00 C ATOM 908 CG ASP A 64 0.579 -6.371 -13.944 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.661 -7.586 -14.019 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.455 -5.544 -14.142 1.00 0.00 O ATOM 0 H ASP A 64 -2.816 -5.000 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.888 -6.952 -11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.585 -6.428 -14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.922 -4.811 -13.889 1.00 0.00 H new ATOM 915 N ASN A 65 0.264 -3.847 -11.510 1.00 0.00 N ATOM 916 CA ASN A 65 1.380 -3.027 -10.950 1.00 0.00 C ATOM 917 C ASN A 65 1.368 -3.087 -9.415 1.00 0.00 C ATOM 918 O ASN A 65 2.380 -3.375 -8.797 1.00 0.00 O ATOM 919 CB ASN A 65 1.215 -1.593 -11.475 1.00 0.00 C ATOM 920 CG ASN A 65 1.437 -1.532 -13.003 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.264 -2.219 -13.570 1.00 0.00 O ATOM 922 ND2 ASN A 65 0.727 -0.709 -13.713 1.00 0.00 N ATOM 0 H ASN A 65 -0.474 -3.312 -11.968 1.00 0.00 H new ATOM 0 HA ASN A 65 2.348 -3.415 -11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.217 -1.227 -11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.925 -0.935 -10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.870 -0.651 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.026 -0.121 -13.263 1.00 0.00 H new ATOM 929 N ALA A 66 0.222 -2.815 -8.842 1.00 0.00 N ATOM 930 CA ALA A 66 0.054 -2.848 -7.352 1.00 0.00 C ATOM 931 C ALA A 66 0.711 -4.114 -6.736 1.00 0.00 C ATOM 932 O ALA A 66 1.394 -4.057 -5.723 1.00 0.00 O ATOM 933 CB ALA A 66 -1.436 -2.823 -7.115 1.00 0.00 C ATOM 0 H ALA A 66 -0.624 -2.566 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 66 0.547 -2.002 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.634 -2.845 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.857 -1.914 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.894 -3.692 -7.587 1.00 0.00 H new ATOM 939 N ARG A 67 0.447 -5.223 -7.383 1.00 0.00 N ATOM 940 CA ARG A 67 0.996 -6.536 -6.934 1.00 0.00 C ATOM 941 C ARG A 67 2.468 -6.652 -7.366 1.00 0.00 C ATOM 942 O ARG A 67 3.225 -7.393 -6.765 1.00 0.00 O ATOM 943 CB ARG A 67 0.118 -7.648 -7.570 1.00 0.00 C ATOM 944 CG ARG A 67 -0.187 -8.753 -6.536 1.00 0.00 C ATOM 945 CD ARG A 67 1.014 -9.712 -6.335 1.00 0.00 C ATOM 946 NE ARG A 67 0.821 -10.400 -5.016 1.00 0.00 N ATOM 947 CZ ARG A 67 0.428 -11.634 -4.971 1.00 0.00 C ATOM 948 NH1 ARG A 67 -0.756 -11.867 -5.447 1.00 0.00 N ATOM 949 NH2 ARG A 67 1.224 -12.525 -4.463 1.00 0.00 N ATOM 0 H ARG A 67 -0.137 -5.272 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 67 0.970 -6.633 -5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.814 -7.218 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.632 -8.078 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.447 -8.294 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.056 -9.324 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.064 -10.440 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.953 -9.159 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 67 1.000 -9.893 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.314 -11.101 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.129 -12.816 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.140 -12.248 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.934 -13.502 -4.418 1.00 0.00 H new ATOM 963 N SER A 68 2.849 -5.910 -8.376 1.00 0.00 N ATOM 964 CA SER A 68 4.271 -5.974 -8.849 1.00 0.00 C ATOM 965 C SER A 68 5.226 -5.069 -8.057 1.00 0.00 C ATOM 966 O SER A 68 6.410 -5.005 -8.351 1.00 0.00 O ATOM 967 CB SER A 68 4.291 -5.620 -10.325 1.00 0.00 C ATOM 968 OG SER A 68 3.632 -6.765 -10.842 1.00 0.00 O ATOM 0 H SER A 68 2.246 -5.268 -8.890 1.00 0.00 H new ATOM 0 HA SER A 68 4.637 -6.987 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.758 -4.694 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.302 -5.505 -10.716 1.00 0.00 H new ATOM 0 HG SER A 68 2.669 -6.591 -10.897 1.00 0.00 H new ATOM 974 N ILE A 69 4.704 -4.384 -7.073 1.00 0.00 N ATOM 975 CA ILE A 69 5.558 -3.488 -6.217 1.00 0.00 C ATOM 976 C ILE A 69 6.341 -4.400 -5.213 1.00 0.00 C ATOM 977 O ILE A 69 7.562 -4.439 -5.237 1.00 0.00 O ATOM 978 CB ILE A 69 4.597 -2.483 -5.482 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.952 -1.519 -6.485 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.348 -1.705 -4.429 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.703 -0.894 -5.827 1.00 0.00 C ATOM 0 H ILE A 69 3.716 -4.403 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 69 6.283 -2.913 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 69 3.810 -3.061 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.659 -0.741 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.675 -2.049 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.667 -1.015 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.766 -2.395 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.155 -1.143 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.230 -0.204 -6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.998 -1.682 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.998 -0.353 -4.928 1.00 0.00 H new ATOM 993 N PRO A 70 5.648 -5.136 -4.366 1.00 0.00 N ATOM 994 CA PRO A 70 6.332 -5.990 -3.359 1.00 0.00 C ATOM 995 C PRO A 70 7.364 -7.019 -3.880 1.00 0.00 C ATOM 996 O PRO A 70 8.403 -7.115 -3.245 1.00 0.00 O ATOM 997 CB PRO A 70 5.154 -6.634 -2.559 1.00 0.00 C ATOM 998 CG PRO A 70 3.941 -6.570 -3.511 1.00 0.00 C ATOM 999 CD PRO A 70 4.152 -5.246 -4.247 1.00 0.00 C ATOM 0 HA PRO A 70 6.997 -5.379 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.383 -7.663 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.960 -6.089 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.922 -7.416 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.998 -6.582 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.672 -5.251 -5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.732 -4.408 -3.691 1.00 0.00 H new ATOM 1007 N PRO A 71 7.096 -7.744 -4.954 1.00 0.00 N ATOM 1008 CA PRO A 71 8.067 -8.747 -5.476 1.00 0.00 C ATOM 1009 C PRO A 71 9.421 -8.135 -5.849 1.00 0.00 C ATOM 1010 O PRO A 71 10.434 -8.520 -5.303 1.00 0.00 O ATOM 1011 CB PRO A 71 7.346 -9.395 -6.676 1.00 0.00 C ATOM 1012 CG PRO A 71 6.359 -8.294 -7.134 1.00 0.00 C ATOM 1013 CD PRO A 71 5.870 -7.714 -5.801 1.00 0.00 C ATOM 0 HA PRO A 71 8.332 -9.484 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.045 -9.664 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.825 -10.308 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.849 -7.540 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.539 -8.703 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.485 -6.701 -5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.067 -8.312 -5.371 1.00 0.00 H new ATOM 1021 N LYS A 72 9.393 -7.200 -6.762 1.00 0.00 N ATOM 1022 CA LYS A 72 10.653 -6.532 -7.205 1.00 0.00 C ATOM 1023 C LYS A 72 11.409 -5.933 -6.026 1.00 0.00 C ATOM 1024 O LYS A 72 12.621 -5.937 -5.980 1.00 0.00 O ATOM 1025 CB LYS A 72 10.335 -5.403 -8.194 1.00 0.00 C ATOM 1026 CG LYS A 72 9.471 -4.261 -7.566 1.00 0.00 C ATOM 1027 CD LYS A 72 9.463 -3.057 -8.531 1.00 0.00 C ATOM 1028 CE LYS A 72 8.447 -3.286 -9.666 1.00 0.00 C ATOM 1029 NZ LYS A 72 8.941 -2.641 -10.927 1.00 0.00 N ATOM 0 H LYS A 72 8.546 -6.868 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 72 11.272 -7.293 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.268 -4.981 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.808 -5.818 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.454 -4.611 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.879 -3.967 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.210 -2.148 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.459 -2.911 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.301 -4.354 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.478 -2.870 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.252 -2.798 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.058 -1.619 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.855 -3.058 -11.195 1.00 0.00 H new ATOM 1043 N CYS A 73 10.641 -5.421 -5.106 1.00 0.00 N ATOM 1044 CA CYS A 73 11.230 -4.792 -3.896 1.00 0.00 C ATOM 1045 C CYS A 73 11.884 -5.817 -2.957 1.00 0.00 C ATOM 1046 O CYS A 73 13.051 -5.699 -2.638 1.00 0.00 O ATOM 1047 CB CYS A 73 10.087 -4.063 -3.262 1.00 0.00 C ATOM 1048 SG CYS A 73 10.532 -2.838 -2.022 1.00 0.00 S ATOM 0 H CYS A 73 9.622 -5.412 -5.143 1.00 0.00 H new ATOM 0 HA CYS A 73 12.050 -4.118 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.517 -3.567 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.424 -4.795 -2.801 1.00 0.00 H new ATOM 1053 N GLY A 74 11.118 -6.783 -2.523 1.00 0.00 N ATOM 1054 CA GLY A 74 11.669 -7.830 -1.607 1.00 0.00 C ATOM 1055 C GLY A 74 11.146 -7.698 -0.183 1.00 0.00 C ATOM 1056 O GLY A 74 11.759 -8.208 0.734 1.00 0.00 O ATOM 0 H GLY A 74 10.133 -6.894 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.413 -8.817 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.757 -7.763 -1.598 1.00 0.00 H new ATOM 1060 N VAL A 75 10.033 -7.026 -0.026 1.00 0.00 N ATOM 1061 CA VAL A 75 9.441 -6.844 1.331 1.00 0.00 C ATOM 1062 C VAL A 75 8.125 -7.585 1.486 1.00 0.00 C ATOM 1063 O VAL A 75 7.761 -7.922 2.592 1.00 0.00 O ATOM 1064 CB VAL A 75 9.246 -5.337 1.564 1.00 0.00 C ATOM 1065 CG1 VAL A 75 10.603 -4.677 1.575 1.00 0.00 C ATOM 1066 CG2 VAL A 75 8.400 -4.701 0.487 1.00 0.00 C ATOM 0 H VAL A 75 9.507 -6.594 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 75 10.118 -7.264 2.075 1.00 0.00 H new ATOM 0 HB VAL A 75 8.730 -5.202 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.485 -3.606 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.208 -5.103 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.097 -4.845 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.289 -3.636 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.882 -4.835 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.417 -5.172 0.471 1.00 0.00 H new ATOM 1076 N ASN A 76 7.454 -7.811 0.388 1.00 0.00 N ATOM 1077 CA ASN A 76 6.145 -8.541 0.433 1.00 0.00 C ATOM 1078 C ASN A 76 5.122 -7.905 1.393 1.00 0.00 C ATOM 1079 O ASN A 76 5.080 -8.248 2.556 1.00 0.00 O ATOM 1080 CB ASN A 76 6.412 -9.967 0.870 1.00 0.00 C ATOM 1081 CG ASN A 76 5.126 -10.739 0.604 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.874 -11.209 -0.487 1.00 0.00 O ATOM 1083 ND2 ASN A 76 4.291 -10.867 1.589 1.00 0.00 N ATOM 0 H ASN A 76 7.754 -7.522 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 76 5.709 -8.494 -0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.246 -10.395 0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.679 -10.007 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.412 -11.367 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.513 -10.468 2.501 1.00 0.00 H new ATOM 1090 N LEU A 77 4.303 -7.018 0.901 1.00 0.00 N ATOM 1091 CA LEU A 77 3.297 -6.367 1.805 1.00 0.00 C ATOM 1092 C LEU A 77 2.073 -7.262 1.943 1.00 0.00 C ATOM 1093 O LEU A 77 1.843 -8.093 1.082 1.00 0.00 O ATOM 1094 CB LEU A 77 2.849 -4.986 1.211 1.00 0.00 C ATOM 1095 CG LEU A 77 3.205 -3.842 2.185 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.700 -3.705 2.329 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.606 -2.522 1.757 1.00 0.00 C ATOM 0 H LEU A 77 4.281 -6.715 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 77 3.757 -6.212 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.337 -4.820 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.775 -4.994 1.025 1.00 0.00 H new ATOM 0 HG LEU A 77 2.775 -4.106 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.926 -2.893 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.115 -4.636 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.141 -3.487 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.883 -1.748 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.982 -2.255 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.520 -2.610 1.720 1.00 0.00 H new ATOM 1109 N PRO A 78 1.310 -7.067 3.001 1.00 0.00 N ATOM 1110 CA PRO A 78 0.106 -7.884 3.227 1.00 0.00 C ATOM 1111 C PRO A 78 -1.090 -7.208 2.533 1.00 0.00 C ATOM 1112 O PRO A 78 -2.216 -7.637 2.707 1.00 0.00 O ATOM 1113 CB PRO A 78 0.032 -7.949 4.749 1.00 0.00 C ATOM 1114 CG PRO A 78 0.504 -6.535 5.199 1.00 0.00 C ATOM 1115 CD PRO A 78 1.495 -6.066 4.098 1.00 0.00 C ATOM 0 HA PRO A 78 0.114 -8.891 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.980 -8.162 5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.676 -8.733 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.338 -5.849 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.989 -6.574 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.268 -5.055 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.522 -6.057 4.462 1.00 0.00 H new ATOM 1123 N TYR A 79 -0.829 -6.164 1.777 1.00 0.00 N ATOM 1124 CA TYR A 79 -1.930 -5.440 1.057 1.00 0.00 C ATOM 1125 C TYR A 79 -1.372 -4.418 0.058 1.00 0.00 C ATOM 1126 O TYR A 79 -0.238 -4.004 0.184 1.00 0.00 O ATOM 1127 CB TYR A 79 -2.824 -4.712 2.122 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.063 -4.035 3.307 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.059 -3.090 3.146 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.409 -4.390 4.603 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.431 -2.524 4.253 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.785 -3.826 5.699 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.791 -2.889 5.538 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.181 -2.355 6.662 1.00 0.00 O ATOM 0 H TYR A 79 0.104 -5.781 1.627 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.518 -6.163 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.414 -3.950 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.527 -5.436 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.762 -2.790 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.185 -5.125 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.348 -1.790 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.081 -4.124 6.694 1.00 0.00 H new ATOM 0 HH TYR A 79 0.327 -1.556 6.410 1.00 0.00 H new ATOM 1144 N THR A 80 -2.170 -4.036 -0.905 1.00 0.00 N ATOM 1145 CA THR A 80 -1.716 -3.043 -1.931 1.00 0.00 C ATOM 1146 C THR A 80 -2.899 -2.120 -2.308 1.00 0.00 C ATOM 1147 O THR A 80 -3.809 -1.925 -1.521 1.00 0.00 O ATOM 1148 CB THR A 80 -1.167 -3.914 -3.140 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.698 -3.043 -4.157 1.00 0.00 O ATOM 1150 CG2 THR A 80 -2.234 -4.708 -3.852 1.00 0.00 C ATOM 0 H THR A 80 -3.126 -4.371 -1.028 1.00 0.00 H new ATOM 0 HA THR A 80 -0.930 -2.374 -1.582 1.00 0.00 H new ATOM 0 HB THR A 80 -0.419 -4.572 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.250 -2.845 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.783 -5.277 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.708 -5.393 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.984 -4.028 -4.257 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.861 -1.586 -3.496 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.941 -0.677 -3.979 1.00 0.00 C ATOM 1160 C ILE A 81 -5.081 -1.536 -4.588 1.00 0.00 C ATOM 1161 O ILE A 81 -5.191 -1.655 -5.792 1.00 0.00 O ATOM 1162 CB ILE A 81 -3.271 0.314 -5.028 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -2.196 1.263 -4.378 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -4.298 1.207 -5.681 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.962 0.512 -3.821 1.00 0.00 C ATOM 0 H ILE A 81 -2.110 -1.744 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.391 -0.086 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.793 -0.339 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.865 1.987 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.662 1.827 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.804 1.870 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.032 0.595 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.801 1.802 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.264 1.229 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.281 -0.192 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.471 -0.030 -4.629 1.00 0.00 H new ATOM 1177 N SER A 82 -5.903 -2.119 -3.748 1.00 0.00 N ATOM 1178 CA SER A 82 -7.030 -2.965 -4.225 1.00 0.00 C ATOM 1179 C SER A 82 -8.162 -3.007 -3.178 1.00 0.00 C ATOM 1180 O SER A 82 -7.985 -2.515 -2.081 1.00 0.00 O ATOM 1181 CB SER A 82 -6.462 -4.347 -4.459 1.00 0.00 C ATOM 1182 OG SER A 82 -5.493 -4.277 -5.505 1.00 0.00 O ATOM 0 H SER A 82 -5.834 -2.039 -2.733 1.00 0.00 H new ATOM 0 HA SER A 82 -7.463 -2.561 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.004 -4.726 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.258 -5.041 -4.728 1.00 0.00 H new ATOM 0 HG SER A 82 -5.559 -3.409 -5.954 1.00 0.00 H new