USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -160:sc= -0.0867 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.56! C(o=-3.6!,f=-4.2!) USER MOD Set 2.1: A 4 SER OG : rot -109:sc= 1.04 USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -126:sc= 0.0178 (180deg=-0.0418) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 46:sc= 0.26 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.443 K(o=-0.44,f=-2.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.02) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 45 ASN : amide:sc= -1.52! C(o=-1.5!,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.19) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -1.65! (180deg=-2.81!) USER MOD Single : A 59 GLN : amide:sc= -0.992 X(o=-0.99,f=-0.49) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.382 -20.348 -10.570 1.00 12.40 N ATOM 2 CA LYS A 1 6.968 -21.326 -9.571 1.00 23.04 C ATOM 3 C LYS A 1 5.495 -21.595 -9.721 1.00 10.43 C ATOM 4 O LYS A 1 4.739 -20.680 -10.037 1.00 22.45 O ATOM 5 CB LYS A 1 7.250 -20.827 -8.154 1.00 20.35 C ATOM 6 CG LYS A 1 8.678 -20.595 -7.845 1.00 61.24 C ATOM 7 CD LYS A 1 8.810 -20.157 -6.421 1.00 10.33 C ATOM 8 CE LYS A 1 10.223 -19.872 -6.089 1.00 32.32 C ATOM 9 NZ LYS A 1 10.390 -19.469 -4.682 1.00 21.34 N ATOM 0 H1 LYS A 1 8.180 -20.728 -11.118 1.00 12.40 H new ATOM 0 H2 LYS A 1 6.587 -20.147 -11.210 1.00 12.40 H new ATOM 0 H3 LYS A 1 7.675 -19.470 -10.096 1.00 12.40 H new ATOM 0 HA LYS A 1 7.539 -22.241 -9.730 1.00 23.04 H new ATOM 0 HB2 LYS A 1 6.704 -19.897 -7.997 1.00 20.35 H new ATOM 0 HB3 LYS A 1 6.853 -21.553 -7.444 1.00 20.35 H new ATOM 0 HG2 LYS A 1 9.251 -21.507 -8.012 1.00 61.24 H new ATOM 0 HG3 LYS A 1 9.087 -19.835 -8.511 1.00 61.24 H new ATOM 0 HD2 LYS A 1 8.205 -19.266 -6.252 1.00 10.33 H new ATOM 0 HD3 LYS A 1 8.426 -20.933 -5.760 1.00 10.33 H new ATOM 0 HE2 LYS A 1 10.827 -20.757 -6.286 1.00 32.32 H new ATOM 0 HE3 LYS A 1 10.595 -19.080 -6.739 1.00 32.32 H new ATOM 0 HZ1 LYS A 1 11.395 -19.279 -4.492 1.00 21.34 H new ATOM 0 HZ2 LYS A 1 9.834 -18.609 -4.499 1.00 21.34 H new ATOM 0 HZ3 LYS A 1 10.059 -20.234 -4.060 1.00 21.34 H new ATOM 23 N PRO A 2 5.050 -22.842 -9.517 1.00 43.21 N ATOM 24 CA PRO A 2 3.648 -23.167 -9.604 1.00 20.44 C ATOM 25 C PRO A 2 2.883 -22.672 -8.376 1.00 31.40 C ATOM 26 O PRO A 2 2.798 -23.356 -7.353 1.00 54.01 O ATOM 27 CB PRO A 2 3.619 -24.689 -9.701 1.00 12.12 C ATOM 28 CG PRO A 2 4.874 -25.140 -9.030 1.00 13.41 C ATOM 29 CD PRO A 2 5.879 -24.027 -9.197 1.00 73.54 C ATOM 0 HA PRO A 2 3.165 -22.689 -10.456 1.00 20.44 H new ATOM 0 HB2 PRO A 2 2.738 -25.100 -9.208 1.00 12.12 H new ATOM 0 HB3 PRO A 2 3.586 -25.018 -10.740 1.00 12.12 H new ATOM 0 HG2 PRO A 2 4.696 -25.346 -7.974 1.00 13.41 H new ATOM 0 HG3 PRO A 2 5.242 -26.064 -9.477 1.00 13.41 H new ATOM 0 HD2 PRO A 2 6.460 -23.874 -8.288 1.00 73.54 H new ATOM 0 HD3 PRO A 2 6.588 -24.246 -9.995 1.00 73.54 H new ATOM 37 N VAL A 3 2.414 -21.447 -8.456 1.00 13.14 N ATOM 38 CA VAL A 3 1.671 -20.808 -7.387 1.00 3.13 C ATOM 39 C VAL A 3 0.575 -19.978 -8.010 1.00 14.23 C ATOM 40 O VAL A 3 0.851 -19.066 -8.791 1.00 65.15 O ATOM 41 CB VAL A 3 2.570 -19.849 -6.520 1.00 11.40 C ATOM 42 CG1 VAL A 3 1.763 -19.218 -5.387 1.00 70.44 C ATOM 43 CG2 VAL A 3 3.790 -20.566 -5.955 1.00 33.54 C ATOM 0 H VAL A 3 2.539 -20.855 -9.277 1.00 13.14 H new ATOM 0 HA VAL A 3 1.282 -21.590 -6.735 1.00 3.13 H new ATOM 0 HB VAL A 3 2.923 -19.061 -7.185 1.00 11.40 H new ATOM 0 HG11 VAL A 3 2.407 -18.560 -4.804 1.00 70.44 H new ATOM 0 HG12 VAL A 3 0.939 -18.641 -5.805 1.00 70.44 H new ATOM 0 HG13 VAL A 3 1.366 -20.002 -4.742 1.00 70.44 H new ATOM 0 HG21 VAL A 3 4.382 -19.867 -5.364 1.00 33.54 H new ATOM 0 HG22 VAL A 3 3.466 -21.392 -5.322 1.00 33.54 H new ATOM 0 HG23 VAL A 3 4.397 -20.952 -6.774 1.00 33.54 H new ATOM 53 N SER A 4 -0.645 -20.289 -7.705 1.00 73.44 N ATOM 54 CA SER A 4 -1.728 -19.523 -8.215 1.00 25.22 C ATOM 55 C SER A 4 -2.685 -19.154 -7.098 1.00 13.10 C ATOM 56 O SER A 4 -3.539 -19.956 -6.680 1.00 55.32 O ATOM 57 CB SER A 4 -2.441 -20.246 -9.357 1.00 44.42 C ATOM 58 OG SER A 4 -3.464 -19.439 -9.902 1.00 33.12 O ATOM 0 H SER A 4 -0.912 -21.069 -7.105 1.00 73.44 H new ATOM 0 HA SER A 4 -1.325 -18.600 -8.633 1.00 25.22 H new ATOM 0 HB2 SER A 4 -1.722 -20.504 -10.135 1.00 44.42 H new ATOM 0 HB3 SER A 4 -2.865 -21.181 -8.992 1.00 44.42 H new ATOM 0 HG SER A 4 -4.338 -19.811 -9.660 1.00 33.12 H new ATOM 64 N LEU A 5 -2.489 -17.982 -6.570 1.00 64.10 N ATOM 65 CA LEU A 5 -3.340 -17.451 -5.544 1.00 22.21 C ATOM 66 C LEU A 5 -4.025 -16.199 -6.076 1.00 1.55 C ATOM 67 O LEU A 5 -4.971 -15.673 -5.483 1.00 63.24 O ATOM 68 CB LEU A 5 -2.504 -17.141 -4.291 1.00 2.21 C ATOM 69 CG LEU A 5 -3.254 -16.598 -3.075 1.00 61.12 C ATOM 70 CD1 LEU A 5 -4.290 -17.601 -2.582 1.00 2.52 C ATOM 71 CD2 LEU A 5 -2.277 -16.240 -1.971 1.00 10.20 C ATOM 0 H LEU A 5 -1.727 -17.361 -6.841 1.00 64.10 H new ATOM 0 HA LEU A 5 -4.104 -18.178 -5.267 1.00 22.21 H new ATOM 0 HB2 LEU A 5 -1.990 -18.054 -3.992 1.00 2.21 H new ATOM 0 HB3 LEU A 5 -1.736 -16.418 -4.566 1.00 2.21 H new ATOM 0 HG LEU A 5 -3.784 -15.693 -3.373 1.00 61.12 H new ATOM 0 HD11 LEU A 5 -4.810 -17.191 -1.716 1.00 2.52 H new ATOM 0 HD12 LEU A 5 -5.009 -17.801 -3.376 1.00 2.52 H new ATOM 0 HD13 LEU A 5 -3.793 -18.529 -2.301 1.00 2.52 H new ATOM 0 HD21 LEU A 5 -2.825 -15.855 -1.111 1.00 10.20 H new ATOM 0 HD22 LEU A 5 -1.719 -17.129 -1.677 1.00 10.20 H new ATOM 0 HD23 LEU A 5 -1.584 -15.479 -2.331 1.00 10.20 H new ATOM 83 N SER A 6 -3.542 -15.723 -7.193 1.00 42.23 N ATOM 84 CA SER A 6 -4.086 -14.565 -7.811 1.00 33.42 C ATOM 85 C SER A 6 -4.965 -14.925 -9.004 1.00 11.04 C ATOM 86 O SER A 6 -4.480 -15.059 -10.133 1.00 1.31 O ATOM 87 CB SER A 6 -2.965 -13.580 -8.197 1.00 44.32 C ATOM 88 OG SER A 6 -1.981 -14.208 -9.017 1.00 22.32 O ATOM 0 H SER A 6 -2.756 -16.137 -7.694 1.00 42.23 H new ATOM 0 HA SER A 6 -4.732 -14.067 -7.088 1.00 33.42 H new ATOM 0 HB2 SER A 6 -3.393 -12.729 -8.726 1.00 44.32 H new ATOM 0 HB3 SER A 6 -2.494 -13.190 -7.295 1.00 44.32 H new ATOM 0 HG SER A 6 -2.424 -14.727 -9.720 1.00 22.32 H new ATOM 94 N TYR A 7 -6.231 -15.156 -8.746 1.00 44.14 N ATOM 95 CA TYR A 7 -7.178 -15.411 -9.815 1.00 75.23 C ATOM 96 C TYR A 7 -7.932 -14.149 -10.125 1.00 13.24 C ATOM 97 O TYR A 7 -7.836 -13.610 -11.222 1.00 1.33 O ATOM 98 CB TYR A 7 -8.155 -16.543 -9.473 1.00 34.40 C ATOM 99 CG TYR A 7 -7.533 -17.918 -9.402 1.00 23.12 C ATOM 100 CD1 TYR A 7 -7.393 -18.687 -10.549 1.00 70.24 C ATOM 101 CD2 TYR A 7 -7.107 -18.454 -8.199 1.00 40.51 C ATOM 102 CE1 TYR A 7 -6.847 -19.950 -10.499 1.00 73.53 C ATOM 103 CE2 TYR A 7 -6.555 -19.718 -8.144 1.00 54.31 C ATOM 104 CZ TYR A 7 -6.429 -20.462 -9.297 1.00 14.41 C ATOM 105 OH TYR A 7 -5.885 -21.728 -9.241 1.00 2.45 O ATOM 0 H TYR A 7 -6.632 -15.173 -7.808 1.00 44.14 H new ATOM 0 HA TYR A 7 -6.614 -15.734 -10.690 1.00 75.23 H new ATOM 0 HB2 TYR A 7 -8.624 -16.322 -8.514 1.00 34.40 H new ATOM 0 HB3 TYR A 7 -8.949 -16.557 -10.220 1.00 34.40 H new ATOM 0 HD1 TYR A 7 -7.718 -18.287 -11.498 1.00 70.24 H new ATOM 0 HD2 TYR A 7 -7.208 -17.876 -7.292 1.00 40.51 H new ATOM 0 HE1 TYR A 7 -6.748 -20.535 -11.402 1.00 73.53 H new ATOM 0 HE2 TYR A 7 -6.223 -20.123 -7.200 1.00 54.31 H new ATOM 0 HH TYR A 7 -5.640 -21.938 -8.316 1.00 2.45 H new ATOM 115 N ARG A 8 -8.671 -13.673 -9.160 1.00 41.22 N ATOM 116 CA ARG A 8 -9.412 -12.467 -9.309 1.00 65.34 C ATOM 117 C ARG A 8 -8.668 -11.316 -8.653 1.00 72.40 C ATOM 118 O ARG A 8 -8.709 -10.173 -9.134 1.00 14.23 O ATOM 119 CB ARG A 8 -10.804 -12.623 -8.700 1.00 33.13 C ATOM 120 CG ARG A 8 -11.632 -11.366 -8.784 1.00 61.12 C ATOM 121 CD ARG A 8 -13.012 -11.538 -8.181 1.00 13.32 C ATOM 122 NE ARG A 8 -12.965 -11.886 -6.755 1.00 44.11 N ATOM 123 CZ ARG A 8 -13.998 -11.762 -5.913 1.00 14.33 C ATOM 124 NH1 ARG A 8 -15.148 -11.224 -6.336 1.00 23.44 N ATOM 125 NH2 ARG A 8 -13.873 -12.157 -4.644 1.00 72.05 N ATOM 0 H ARG A 8 -8.771 -14.118 -8.248 1.00 41.22 H new ATOM 0 HA ARG A 8 -9.524 -12.249 -10.371 1.00 65.34 H new ATOM 0 HB2 ARG A 8 -11.329 -13.431 -9.210 1.00 33.13 H new ATOM 0 HB3 ARG A 8 -10.706 -12.917 -7.655 1.00 33.13 H new ATOM 0 HG2 ARG A 8 -11.112 -10.558 -8.269 1.00 61.12 H new ATOM 0 HG3 ARG A 8 -11.730 -11.068 -9.828 1.00 61.12 H new ATOM 0 HD2 ARG A 8 -13.578 -10.615 -8.308 1.00 13.32 H new ATOM 0 HD3 ARG A 8 -13.547 -12.317 -8.724 1.00 13.32 H new ATOM 0 HE ARG A 8 -12.087 -12.246 -6.381 1.00 44.11 H new ATOM 0 HH11 ARG A 8 -15.238 -10.908 -7.301 1.00 23.44 H new ATOM 0 HH12 ARG A 8 -15.934 -11.130 -5.693 1.00 23.44 H new ATOM 0 HH21 ARG A 8 -12.991 -12.553 -4.317 1.00 72.05 H new ATOM 0 HH22 ARG A 8 -14.659 -12.063 -4.001 1.00 72.05 H new ATOM 139 N CYS A 9 -7.977 -11.614 -7.584 1.00 52.35 N ATOM 140 CA CYS A 9 -7.291 -10.598 -6.837 1.00 73.14 C ATOM 141 C CYS A 9 -5.787 -10.842 -6.807 1.00 75.40 C ATOM 142 O CYS A 9 -5.337 -11.973 -6.602 1.00 23.44 O ATOM 143 CB CYS A 9 -7.841 -10.569 -5.415 1.00 2.14 C ATOM 144 SG CYS A 9 -9.628 -10.237 -5.333 1.00 41.03 S ATOM 0 H CYS A 9 -7.875 -12.558 -7.211 1.00 52.35 H new ATOM 0 HA CYS A 9 -7.459 -9.638 -7.325 1.00 73.14 H new ATOM 0 HB2 CYS A 9 -7.635 -11.526 -4.935 1.00 2.14 H new ATOM 0 HB3 CYS A 9 -7.311 -9.806 -4.845 1.00 2.14 H new ATOM 149 N PRO A 10 -4.989 -9.770 -7.002 1.00 12.11 N ATOM 150 CA PRO A 10 -3.521 -9.823 -6.954 1.00 10.01 C ATOM 151 C PRO A 10 -2.972 -10.235 -5.577 1.00 73.12 C ATOM 152 O PRO A 10 -1.945 -10.900 -5.496 1.00 44.54 O ATOM 153 CB PRO A 10 -3.096 -8.379 -7.294 1.00 44.00 C ATOM 154 CG PRO A 10 -4.262 -7.813 -7.999 1.00 44.03 C ATOM 155 CD PRO A 10 -5.456 -8.428 -7.350 1.00 74.44 C ATOM 0 HA PRO A 10 -3.130 -10.575 -7.639 1.00 10.01 H new ATOM 0 HB2 PRO A 10 -2.861 -7.811 -6.394 1.00 44.00 H new ATOM 0 HB3 PRO A 10 -2.205 -8.364 -7.922 1.00 44.00 H new ATOM 0 HG2 PRO A 10 -4.284 -6.727 -7.912 1.00 44.03 H new ATOM 0 HG3 PRO A 10 -4.229 -8.047 -9.063 1.00 44.03 H new ATOM 0 HD2 PRO A 10 -5.769 -7.869 -6.468 1.00 74.44 H new ATOM 0 HD3 PRO A 10 -6.310 -8.461 -8.026 1.00 74.44 H new ATOM 163 N CYS A 11 -3.646 -9.848 -4.506 1.00 3.13 N ATOM 164 CA CYS A 11 -3.179 -10.205 -3.176 1.00 61.10 C ATOM 165 C CYS A 11 -4.347 -10.686 -2.302 1.00 61.23 C ATOM 166 O CYS A 11 -5.518 -10.391 -2.598 1.00 24.53 O ATOM 167 CB CYS A 11 -2.443 -9.023 -2.519 1.00 52.53 C ATOM 168 SG CYS A 11 -1.657 -9.445 -0.929 1.00 41.44 S ATOM 0 H CYS A 11 -4.504 -9.296 -4.529 1.00 3.13 H new ATOM 0 HA CYS A 11 -2.470 -11.027 -3.271 1.00 61.10 H new ATOM 0 HB2 CYS A 11 -1.680 -8.654 -3.205 1.00 52.53 H new ATOM 0 HB3 CYS A 11 -3.150 -8.209 -2.360 1.00 52.53 H new ATOM 173 N ARG A 12 -4.034 -11.444 -1.246 1.00 13.12 N ATOM 174 CA ARG A 12 -5.052 -12.000 -0.346 1.00 10.31 C ATOM 175 C ARG A 12 -4.802 -11.636 1.127 1.00 22.24 C ATOM 176 O ARG A 12 -5.671 -11.850 1.973 1.00 22.14 O ATOM 177 CB ARG A 12 -5.113 -13.527 -0.491 1.00 1.33 C ATOM 178 CG ARG A 12 -5.531 -14.039 -1.872 1.00 42.44 C ATOM 179 CD ARG A 12 -7.012 -13.803 -2.191 1.00 32.51 C ATOM 180 NE ARG A 12 -7.422 -12.387 -2.204 1.00 42.45 N ATOM 181 CZ ARG A 12 -8.697 -11.982 -2.199 1.00 52.41 C ATOM 182 NH1 ARG A 12 -9.673 -12.879 -2.222 1.00 55.01 N ATOM 183 NH2 ARG A 12 -8.993 -10.681 -2.177 1.00 22.02 N ATOM 0 H ARG A 12 -3.077 -11.688 -0.992 1.00 13.12 H new ATOM 0 HA ARG A 12 -6.004 -11.557 -0.638 1.00 10.31 H new ATOM 0 HB2 ARG A 12 -4.132 -13.937 -0.252 1.00 1.33 H new ATOM 0 HB3 ARG A 12 -5.811 -13.918 0.249 1.00 1.33 H new ATOM 0 HG2 ARG A 12 -4.922 -13.549 -2.632 1.00 42.44 H new ATOM 0 HG3 ARG A 12 -5.320 -15.107 -1.934 1.00 42.44 H new ATOM 0 HD2 ARG A 12 -7.234 -14.240 -3.164 1.00 32.51 H new ATOM 0 HD3 ARG A 12 -7.617 -14.335 -1.457 1.00 32.51 H new ATOM 0 HE ARG A 12 -6.692 -11.675 -2.218 1.00 42.45 H new ATOM 0 HH11 ARG A 12 -9.451 -13.874 -2.243 1.00 55.01 H new ATOM 0 HH12 ARG A 12 -10.646 -12.574 -2.218 1.00 55.01 H new ATOM 0 HH21 ARG A 12 -8.245 -9.988 -2.164 1.00 22.02 H new ATOM 0 HH22 ARG A 12 -9.967 -10.380 -2.173 1.00 22.02 H new ATOM 197 N PHE A 13 -3.624 -11.114 1.435 1.00 1.11 N ATOM 198 CA PHE A 13 -3.291 -10.754 2.811 1.00 25.12 C ATOM 199 C PHE A 13 -2.372 -9.537 2.853 1.00 70.22 C ATOM 200 O PHE A 13 -1.367 -9.489 2.160 1.00 33.34 O ATOM 201 CB PHE A 13 -2.679 -11.959 3.579 1.00 21.13 C ATOM 202 CG PHE A 13 -1.431 -12.554 2.958 1.00 3.02 C ATOM 203 CD1 PHE A 13 -1.526 -13.524 1.970 1.00 52.53 C ATOM 204 CD2 PHE A 13 -0.169 -12.151 3.370 1.00 73.42 C ATOM 205 CE1 PHE A 13 -0.394 -14.071 1.406 1.00 23.21 C ATOM 206 CE2 PHE A 13 0.967 -12.696 2.806 1.00 10.20 C ATOM 207 CZ PHE A 13 0.854 -13.658 1.823 1.00 22.51 C ATOM 0 H PHE A 13 -2.884 -10.930 0.757 1.00 1.11 H new ATOM 0 HA PHE A 13 -4.217 -10.484 3.318 1.00 25.12 H new ATOM 0 HB2 PHE A 13 -2.444 -11.640 4.594 1.00 21.13 H new ATOM 0 HB3 PHE A 13 -3.435 -12.741 3.657 1.00 21.13 H new ATOM 0 HD1 PHE A 13 -2.500 -13.854 1.639 1.00 52.53 H new ATOM 0 HD2 PHE A 13 -0.074 -11.401 4.142 1.00 73.42 H new ATOM 0 HE1 PHE A 13 -0.484 -14.824 0.637 1.00 23.21 H new ATOM 0 HE2 PHE A 13 1.943 -12.370 3.134 1.00 10.20 H new ATOM 0 HZ PHE A 13 1.741 -14.087 1.381 1.00 22.51 H new ATOM 217 N PHE A 14 -2.724 -8.566 3.652 1.00 65.40 N ATOM 218 CA PHE A 14 -1.939 -7.345 3.761 1.00 25.22 C ATOM 219 C PHE A 14 -1.293 -7.288 5.136 1.00 21.44 C ATOM 220 O PHE A 14 -1.830 -7.852 6.101 1.00 61.11 O ATOM 221 CB PHE A 14 -2.834 -6.121 3.626 1.00 2.32 C ATOM 222 CG PHE A 14 -3.803 -6.098 2.471 1.00 10.22 C ATOM 223 CD1 PHE A 14 -3.379 -6.231 1.167 1.00 13.24 C ATOM 224 CD2 PHE A 14 -5.153 -5.904 2.711 1.00 62.23 C ATOM 225 CE1 PHE A 14 -4.279 -6.181 0.124 1.00 74.11 C ATOM 226 CE2 PHE A 14 -6.057 -5.856 1.677 1.00 30.22 C ATOM 227 CZ PHE A 14 -5.623 -5.994 0.382 1.00 61.43 C ATOM 0 H PHE A 14 -3.554 -8.588 4.245 1.00 65.40 H new ATOM 0 HA PHE A 14 -1.189 -7.348 2.970 1.00 25.22 H new ATOM 0 HB2 PHE A 14 -3.406 -6.018 4.548 1.00 2.32 H new ATOM 0 HB3 PHE A 14 -2.194 -5.242 3.547 1.00 2.32 H new ATOM 0 HD1 PHE A 14 -2.329 -6.376 0.959 1.00 13.24 H new ATOM 0 HD2 PHE A 14 -5.501 -5.789 3.727 1.00 62.23 H new ATOM 0 HE1 PHE A 14 -3.934 -6.288 -0.894 1.00 74.11 H new ATOM 0 HE2 PHE A 14 -7.107 -5.710 1.883 1.00 30.22 H new ATOM 0 HZ PHE A 14 -6.331 -5.956 -0.433 1.00 61.43 H new ATOM 237 N GLU A 15 -0.147 -6.652 5.235 1.00 3.41 N ATOM 238 CA GLU A 15 0.475 -6.444 6.511 1.00 21.42 C ATOM 239 C GLU A 15 0.018 -5.184 7.194 1.00 41.12 C ATOM 240 O GLU A 15 -0.230 -4.156 6.551 1.00 71.32 O ATOM 241 CB GLU A 15 1.985 -6.429 6.469 1.00 12.44 C ATOM 242 CG GLU A 15 2.637 -7.755 6.429 1.00 22.03 C ATOM 243 CD GLU A 15 4.108 -7.642 6.695 1.00 24.24 C ATOM 244 OE1 GLU A 15 4.482 -7.122 7.773 1.00 62.35 O ATOM 245 OE2 GLU A 15 4.912 -8.095 5.879 1.00 23.45 O ATOM 0 H GLU A 15 0.369 -6.271 4.442 1.00 3.41 H new ATOM 0 HA GLU A 15 0.151 -7.313 7.084 1.00 21.42 H new ATOM 0 HB2 GLU A 15 2.300 -5.863 5.593 1.00 12.44 H new ATOM 0 HB3 GLU A 15 2.349 -5.891 7.344 1.00 12.44 H new ATOM 0 HG2 GLU A 15 2.180 -8.411 7.170 1.00 22.03 H new ATOM 0 HG3 GLU A 15 2.475 -8.214 5.454 1.00 22.03 H new ATOM 252 N SER A 16 -0.090 -5.273 8.494 1.00 65.20 N ATOM 253 CA SER A 16 -0.389 -4.150 9.325 1.00 61.11 C ATOM 254 C SER A 16 0.790 -3.885 10.286 1.00 13.02 C ATOM 255 O SER A 16 0.726 -3.036 11.158 1.00 13.34 O ATOM 256 CB SER A 16 -1.696 -4.409 10.083 1.00 42.53 C ATOM 257 OG SER A 16 -1.643 -5.657 10.770 1.00 3.44 O ATOM 0 H SER A 16 0.031 -6.146 9.008 1.00 65.20 H new ATOM 0 HA SER A 16 -0.526 -3.257 8.715 1.00 61.11 H new ATOM 0 HB2 SER A 16 -1.874 -3.604 10.796 1.00 42.53 H new ATOM 0 HB3 SER A 16 -2.533 -4.408 9.385 1.00 42.53 H new ATOM 0 HG SER A 16 -2.486 -5.803 11.249 1.00 3.44 H new ATOM 263 N HIS A 17 1.883 -4.619 10.079 1.00 62.53 N ATOM 264 CA HIS A 17 3.094 -4.503 10.923 1.00 14.01 C ATOM 265 C HIS A 17 4.196 -3.807 10.151 1.00 35.21 C ATOM 266 O HIS A 17 5.375 -3.877 10.518 1.00 75.35 O ATOM 267 CB HIS A 17 3.606 -5.898 11.347 1.00 24.52 C ATOM 268 CG HIS A 17 2.694 -6.674 12.245 1.00 53.02 C ATOM 269 ND1 HIS A 17 2.912 -6.814 13.593 1.00 41.23 N ATOM 270 CD2 HIS A 17 1.578 -7.389 11.975 1.00 75.23 C ATOM 271 CE1 HIS A 17 1.977 -7.578 14.113 1.00 13.01 C ATOM 272 NE2 HIS A 17 1.155 -7.938 13.152 1.00 34.40 N ATOM 0 H HIS A 17 1.964 -5.308 9.331 1.00 62.53 H new ATOM 0 HA HIS A 17 2.829 -3.928 11.810 1.00 14.01 H new ATOM 0 HB2 HIS A 17 3.790 -6.487 10.448 1.00 24.52 H new ATOM 0 HB3 HIS A 17 4.565 -5.776 11.850 1.00 24.52 H new ATOM 0 HD2 HIS A 17 1.109 -7.504 11.009 1.00 75.23 H new ATOM 0 HE1 HIS A 17 1.898 -7.862 15.152 1.00 13.01 H new ATOM 0 HE2 HIS A 17 0.334 -8.532 13.267 1.00 34.40 H new ATOM 281 N VAL A 18 3.814 -3.107 9.115 1.00 3.13 N ATOM 282 CA VAL A 18 4.774 -2.507 8.228 1.00 73.44 C ATOM 283 C VAL A 18 5.288 -1.178 8.772 1.00 10.02 C ATOM 284 O VAL A 18 4.526 -0.402 9.355 1.00 72.50 O ATOM 285 CB VAL A 18 4.206 -2.317 6.810 1.00 11.12 C ATOM 286 CG1 VAL A 18 5.304 -1.873 5.844 1.00 41.54 C ATOM 287 CG2 VAL A 18 3.555 -3.595 6.325 1.00 75.41 C ATOM 0 H VAL A 18 2.840 -2.938 8.865 1.00 3.13 H new ATOM 0 HA VAL A 18 5.613 -3.200 8.165 1.00 73.44 H new ATOM 0 HB VAL A 18 3.447 -1.535 6.846 1.00 11.12 H new ATOM 0 HG11 VAL A 18 4.882 -1.744 4.847 1.00 41.54 H new ATOM 0 HG12 VAL A 18 5.727 -0.928 6.184 1.00 41.54 H new ATOM 0 HG13 VAL A 18 6.088 -2.630 5.811 1.00 41.54 H new ATOM 0 HG21 VAL A 18 3.159 -3.443 5.321 1.00 75.41 H new ATOM 0 HG22 VAL A 18 4.295 -4.396 6.306 1.00 75.41 H new ATOM 0 HG23 VAL A 18 2.742 -3.868 6.998 1.00 75.41 H new ATOM 297 N ALA A 19 6.572 -0.943 8.595 1.00 12.20 N ATOM 298 CA ALA A 19 7.216 0.274 9.025 1.00 31.21 C ATOM 299 C ALA A 19 7.602 1.122 7.809 1.00 73.00 C ATOM 300 O ALA A 19 8.098 0.592 6.808 1.00 21.11 O ATOM 301 CB ALA A 19 8.450 -0.059 9.856 1.00 53.01 C ATOM 0 H ALA A 19 7.203 -1.603 8.142 1.00 12.20 H new ATOM 0 HA ALA A 19 6.523 0.847 9.641 1.00 31.21 H new ATOM 0 HB1 ALA A 19 8.932 0.864 10.178 1.00 53.01 H new ATOM 0 HB2 ALA A 19 8.154 -0.638 10.731 1.00 53.01 H new ATOM 0 HB3 ALA A 19 9.147 -0.642 9.254 1.00 53.01 H new ATOM 307 N ARG A 20 7.370 2.422 7.900 1.00 72.31 N ATOM 308 CA ARG A 20 7.680 3.377 6.819 1.00 23.20 C ATOM 309 C ARG A 20 9.194 3.435 6.531 1.00 34.21 C ATOM 310 O ARG A 20 9.619 3.738 5.411 1.00 64.32 O ATOM 311 CB ARG A 20 7.125 4.771 7.189 1.00 50.51 C ATOM 312 CG ARG A 20 7.399 5.906 6.190 1.00 10.11 C ATOM 313 CD ARG A 20 6.856 5.586 4.813 1.00 30.30 C ATOM 314 NE ARG A 20 6.930 6.727 3.899 1.00 21.33 N ATOM 315 CZ ARG A 20 6.834 6.655 2.570 1.00 14.23 C ATOM 316 NH1 ARG A 20 6.753 5.467 1.965 1.00 43.32 N ATOM 317 NH2 ARG A 20 6.823 7.769 1.846 1.00 72.45 N ATOM 0 H ARG A 20 6.959 2.858 8.726 1.00 72.31 H new ATOM 0 HA ARG A 20 7.199 3.036 5.902 1.00 23.20 H new ATOM 0 HB2 ARG A 20 6.046 4.685 7.320 1.00 50.51 H new ATOM 0 HB3 ARG A 20 7.541 5.059 8.154 1.00 50.51 H new ATOM 0 HG2 ARG A 20 6.946 6.828 6.554 1.00 10.11 H new ATOM 0 HG3 ARG A 20 8.473 6.082 6.125 1.00 10.11 H new ATOM 0 HD2 ARG A 20 7.415 4.751 4.391 1.00 30.30 H new ATOM 0 HD3 ARG A 20 5.819 5.263 4.902 1.00 30.30 H new ATOM 0 HE ARG A 20 7.066 7.650 4.311 1.00 21.33 H new ATOM 0 HH11 ARG A 20 6.764 4.611 2.519 1.00 43.32 H new ATOM 0 HH12 ARG A 20 6.680 5.416 0.949 1.00 43.32 H new ATOM 0 HH21 ARG A 20 6.888 8.677 2.306 1.00 72.45 H new ATOM 0 HH22 ARG A 20 6.750 7.716 0.830 1.00 72.45 H new ATOM 331 N ALA A 21 9.988 3.139 7.526 1.00 23.43 N ATOM 332 CA ALA A 21 11.432 3.126 7.385 1.00 22.13 C ATOM 333 C ALA A 21 11.919 1.799 6.789 1.00 1.42 C ATOM 334 O ALA A 21 13.092 1.657 6.425 1.00 42.11 O ATOM 335 CB ALA A 21 12.088 3.373 8.732 1.00 71.53 C ATOM 0 H ALA A 21 9.658 2.899 8.461 1.00 23.43 H new ATOM 0 HA ALA A 21 11.715 3.924 6.699 1.00 22.13 H new ATOM 0 HB1 ALA A 21 13.172 3.361 8.616 1.00 71.53 H new ATOM 0 HB2 ALA A 21 11.774 4.343 9.117 1.00 71.53 H new ATOM 0 HB3 ALA A 21 11.789 2.592 9.431 1.00 71.53 H new ATOM 341 N ASN A 22 11.016 0.839 6.684 1.00 53.11 N ATOM 342 CA ASN A 22 11.369 -0.490 6.188 1.00 3.24 C ATOM 343 C ASN A 22 10.832 -0.703 4.768 1.00 12.10 C ATOM 344 O ASN A 22 11.058 -1.727 4.162 1.00 51.34 O ATOM 345 CB ASN A 22 10.845 -1.575 7.163 1.00 24.34 C ATOM 346 CG ASN A 22 11.217 -3.022 6.802 1.00 42.23 C ATOM 347 OD1 ASN A 22 12.257 -3.302 6.182 1.00 53.45 O ATOM 348 ND2 ASN A 22 10.377 -3.948 7.206 1.00 1.12 N ATOM 0 H ASN A 22 10.033 0.950 6.934 1.00 53.11 H new ATOM 0 HA ASN A 22 12.455 -0.572 6.139 1.00 3.24 H new ATOM 0 HB2 ASN A 22 11.227 -1.358 8.160 1.00 24.34 H new ATOM 0 HB3 ASN A 22 9.759 -1.499 7.214 1.00 24.34 H new ATOM 0 HD21 ASN A 22 10.570 -4.931 7.013 1.00 1.12 H new ATOM 0 HD22 ASN A 22 9.532 -3.684 7.713 1.00 1.12 H new ATOM 355 N VAL A 23 10.141 0.273 4.235 1.00 62.21 N ATOM 356 CA VAL A 23 9.623 0.146 2.883 1.00 35.21 C ATOM 357 C VAL A 23 10.570 0.806 1.868 1.00 44.00 C ATOM 358 O VAL A 23 10.927 1.974 2.006 1.00 35.12 O ATOM 359 CB VAL A 23 8.160 0.695 2.746 1.00 12.00 C ATOM 360 CG1 VAL A 23 8.052 2.153 3.162 1.00 60.14 C ATOM 361 CG2 VAL A 23 7.657 0.518 1.330 1.00 4.43 C ATOM 0 H VAL A 23 9.923 1.153 4.702 1.00 62.21 H new ATOM 0 HA VAL A 23 9.574 -0.920 2.659 1.00 35.21 H new ATOM 0 HB VAL A 23 7.535 0.114 3.425 1.00 12.00 H new ATOM 0 HG11 VAL A 23 7.021 2.488 3.050 1.00 60.14 H new ATOM 0 HG12 VAL A 23 8.356 2.258 4.203 1.00 60.14 H new ATOM 0 HG13 VAL A 23 8.701 2.760 2.531 1.00 60.14 H new ATOM 0 HG21 VAL A 23 6.641 0.904 1.254 1.00 4.43 H new ATOM 0 HG22 VAL A 23 8.305 1.063 0.643 1.00 4.43 H new ATOM 0 HG23 VAL A 23 7.663 -0.541 1.072 1.00 4.43 H new ATOM 371 N LYS A 24 11.002 0.035 0.867 1.00 30.53 N ATOM 372 CA LYS A 24 11.897 0.555 -0.183 1.00 63.13 C ATOM 373 C LYS A 24 11.098 1.219 -1.272 1.00 23.11 C ATOM 374 O LYS A 24 11.522 2.197 -1.875 1.00 74.21 O ATOM 375 CB LYS A 24 12.729 -0.565 -0.854 1.00 71.13 C ATOM 376 CG LYS A 24 11.876 -1.646 -1.526 1.00 24.41 C ATOM 377 CD LYS A 24 12.579 -2.345 -2.674 1.00 2.31 C ATOM 378 CE LYS A 24 12.911 -1.354 -3.772 1.00 34.34 C ATOM 379 NZ LYS A 24 13.474 -2.016 -4.963 1.00 40.22 N ATOM 0 H LYS A 24 10.751 -0.947 0.757 1.00 30.53 H new ATOM 0 HA LYS A 24 12.564 1.261 0.311 1.00 63.13 H new ATOM 0 HB2 LYS A 24 13.388 -0.119 -1.599 1.00 71.13 H new ATOM 0 HB3 LYS A 24 13.366 -1.032 -0.103 1.00 71.13 H new ATOM 0 HG2 LYS A 24 11.590 -2.388 -0.780 1.00 24.41 H new ATOM 0 HG3 LYS A 24 10.956 -1.194 -1.895 1.00 24.41 H new ATOM 0 HD2 LYS A 24 13.492 -2.819 -2.315 1.00 2.31 H new ATOM 0 HD3 LYS A 24 11.943 -3.137 -3.070 1.00 2.31 H new ATOM 0 HE2 LYS A 24 12.010 -0.809 -4.053 1.00 34.34 H new ATOM 0 HE3 LYS A 24 13.623 -0.620 -3.395 1.00 34.34 H new ATOM 0 HZ1 LYS A 24 13.687 -1.302 -5.689 1.00 40.22 H new ATOM 0 HZ2 LYS A 24 14.348 -2.515 -4.702 1.00 40.22 H new ATOM 0 HZ3 LYS A 24 12.785 -2.698 -5.339 1.00 40.22 H new ATOM 393 N HIS A 25 9.947 0.668 -1.512 1.00 40.05 N ATOM 394 CA HIS A 25 9.128 1.038 -2.609 1.00 5.53 C ATOM 395 C HIS A 25 7.731 0.638 -2.324 1.00 1.14 C ATOM 396 O HIS A 25 7.461 -0.526 -2.020 1.00 21.41 O ATOM 397 CB HIS A 25 9.643 0.334 -3.868 1.00 34.44 C ATOM 398 CG HIS A 25 8.790 0.460 -5.088 1.00 3.13 C ATOM 399 ND1 HIS A 25 8.266 1.642 -5.565 1.00 50.24 N ATOM 400 CD2 HIS A 25 8.350 -0.494 -5.903 1.00 14.44 C ATOM 401 CE1 HIS A 25 7.535 1.388 -6.630 1.00 41.41 C ATOM 402 NE2 HIS A 25 7.571 0.093 -6.860 1.00 62.40 N ATOM 0 H HIS A 25 9.548 -0.069 -0.931 1.00 40.05 H new ATOM 0 HA HIS A 25 9.160 2.116 -2.766 1.00 5.53 H new ATOM 0 HB2 HIS A 25 10.633 0.727 -4.100 1.00 34.44 H new ATOM 0 HB3 HIS A 25 9.765 -0.725 -3.643 1.00 34.44 H new ATOM 0 HD2 HIS A 25 8.570 -1.548 -5.823 1.00 14.44 H new ATOM 0 HE1 HIS A 25 6.997 2.119 -7.216 1.00 41.41 H new ATOM 0 HE2 HIS A 25 7.098 -0.391 -7.623 1.00 62.40 H new ATOM 411 N LEU A 26 6.863 1.574 -2.411 1.00 2.15 N ATOM 412 CA LEU A 26 5.497 1.345 -2.153 1.00 41.43 C ATOM 413 C LEU A 26 4.757 1.416 -3.486 1.00 31.13 C ATOM 414 O LEU A 26 4.933 2.366 -4.244 1.00 71.24 O ATOM 415 CB LEU A 26 5.027 2.419 -1.164 1.00 71.25 C ATOM 416 CG LEU A 26 3.644 2.263 -0.567 1.00 30.13 C ATOM 417 CD1 LEU A 26 3.528 0.921 0.086 1.00 11.13 C ATOM 418 CD2 LEU A 26 3.420 3.330 0.473 1.00 65.10 C ATOM 0 H LEU A 26 7.087 2.535 -2.668 1.00 2.15 H new ATOM 0 HA LEU A 26 5.305 0.368 -1.710 1.00 41.43 H new ATOM 0 HB2 LEU A 26 5.745 2.459 -0.344 1.00 71.25 H new ATOM 0 HB3 LEU A 26 5.068 3.383 -1.670 1.00 71.25 H new ATOM 0 HG LEU A 26 2.901 2.355 -1.359 1.00 30.13 H new ATOM 0 HD11 LEU A 26 2.532 0.810 0.515 1.00 11.13 H new ATOM 0 HD12 LEU A 26 3.692 0.140 -0.656 1.00 11.13 H new ATOM 0 HD13 LEU A 26 4.275 0.835 0.875 1.00 11.13 H new ATOM 0 HD21 LEU A 26 2.424 3.217 0.902 1.00 65.10 H new ATOM 0 HD22 LEU A 26 4.167 3.233 1.260 1.00 65.10 H new ATOM 0 HD23 LEU A 26 3.506 4.313 0.010 1.00 65.10 H new ATOM 430 N LYS A 27 3.968 0.414 -3.772 1.00 41.15 N ATOM 431 CA LYS A 27 3.274 0.311 -5.036 1.00 1.22 C ATOM 432 C LYS A 27 1.842 -0.108 -4.762 1.00 52.02 C ATOM 433 O LYS A 27 1.602 -1.230 -4.358 1.00 1.10 O ATOM 434 CB LYS A 27 3.940 -0.789 -5.873 1.00 41.51 C ATOM 435 CG LYS A 27 3.492 -0.844 -7.319 1.00 61.01 C ATOM 436 CD LYS A 27 4.032 -2.073 -8.049 1.00 50.00 C ATOM 437 CE LYS A 27 3.512 -3.375 -7.440 1.00 31.23 C ATOM 438 NZ LYS A 27 3.962 -4.561 -8.197 1.00 52.24 N ATOM 0 H LYS A 27 3.785 -0.360 -3.133 1.00 41.15 H new ATOM 0 HA LYS A 27 3.305 1.265 -5.563 1.00 1.22 H new ATOM 0 HB2 LYS A 27 5.020 -0.643 -5.847 1.00 41.51 H new ATOM 0 HB3 LYS A 27 3.738 -1.754 -5.407 1.00 41.51 H new ATOM 0 HG2 LYS A 27 2.403 -0.850 -7.359 1.00 61.01 H new ATOM 0 HG3 LYS A 27 3.825 0.057 -7.834 1.00 61.01 H new ATOM 0 HD2 LYS A 27 3.747 -2.025 -9.100 1.00 50.00 H new ATOM 0 HD3 LYS A 27 5.121 -2.066 -8.014 1.00 50.00 H new ATOM 0 HE2 LYS A 27 3.853 -3.453 -6.408 1.00 31.23 H new ATOM 0 HE3 LYS A 27 2.423 -3.353 -7.415 1.00 31.23 H new ATOM 0 HZ1 LYS A 27 3.587 -5.421 -7.749 1.00 52.24 H new ATOM 0 HZ2 LYS A 27 3.615 -4.500 -9.176 1.00 52.24 H new ATOM 0 HZ3 LYS A 27 5.001 -4.597 -8.200 1.00 52.24 H new ATOM 452 N ILE A 28 0.908 0.759 -4.950 1.00 3.43 N ATOM 453 CA ILE A 28 -0.463 0.393 -4.651 1.00 64.52 C ATOM 454 C ILE A 28 -1.223 0.011 -5.935 1.00 35.24 C ATOM 455 O ILE A 28 -1.183 0.733 -6.935 1.00 73.34 O ATOM 456 CB ILE A 28 -1.216 1.500 -3.877 1.00 42.44 C ATOM 457 CG1 ILE A 28 -0.396 1.938 -2.658 1.00 45.12 C ATOM 458 CG2 ILE A 28 -2.564 0.967 -3.413 1.00 72.45 C ATOM 459 CD1 ILE A 28 -1.058 2.996 -1.793 1.00 13.34 C ATOM 0 H ILE A 28 1.046 1.707 -5.300 1.00 3.43 H new ATOM 0 HA ILE A 28 -0.421 -0.479 -3.998 1.00 64.52 H new ATOM 0 HB ILE A 28 -1.365 2.356 -4.535 1.00 42.44 H new ATOM 0 HG12 ILE A 28 -0.190 1.062 -2.043 1.00 45.12 H new ATOM 0 HG13 ILE A 28 0.565 2.319 -3.002 1.00 45.12 H new ATOM 0 HG21 ILE A 28 -3.095 1.747 -2.867 1.00 72.45 H new ATOM 0 HG22 ILE A 28 -3.153 0.664 -4.279 1.00 72.45 H new ATOM 0 HG23 ILE A 28 -2.410 0.108 -2.760 1.00 72.45 H new ATOM 0 HD11 ILE A 28 -0.405 3.243 -0.956 1.00 13.34 H new ATOM 0 HD12 ILE A 28 -1.239 3.891 -2.388 1.00 13.34 H new ATOM 0 HD13 ILE A 28 -2.006 2.615 -1.413 1.00 13.34 H new ATOM 471 N LEU A 29 -1.882 -1.126 -5.893 1.00 61.25 N ATOM 472 CA LEU A 29 -2.632 -1.686 -7.001 1.00 5.20 C ATOM 473 C LEU A 29 -4.137 -1.731 -6.654 1.00 71.42 C ATOM 474 O LEU A 29 -4.554 -2.437 -5.737 1.00 32.24 O ATOM 475 CB LEU A 29 -2.091 -3.103 -7.291 1.00 74.34 C ATOM 476 CG LEU A 29 -2.730 -3.891 -8.440 1.00 45.55 C ATOM 477 CD1 LEU A 29 -2.702 -3.087 -9.733 1.00 42.42 C ATOM 478 CD2 LEU A 29 -1.967 -5.189 -8.643 1.00 44.11 C ATOM 0 H LEU A 29 -1.913 -1.709 -5.057 1.00 61.25 H new ATOM 0 HA LEU A 29 -2.514 -1.064 -7.889 1.00 5.20 H new ATOM 0 HB2 LEU A 29 -1.024 -3.019 -7.496 1.00 74.34 H new ATOM 0 HB3 LEU A 29 -2.195 -3.694 -6.381 1.00 74.34 H new ATOM 0 HG LEU A 29 -3.768 -4.099 -8.182 1.00 45.55 H new ATOM 0 HD11 LEU A 29 -3.161 -3.668 -10.533 1.00 42.42 H new ATOM 0 HD12 LEU A 29 -3.255 -2.158 -9.596 1.00 42.42 H new ATOM 0 HD13 LEU A 29 -1.669 -2.859 -9.997 1.00 42.42 H new ATOM 0 HD21 LEU A 29 -2.418 -5.753 -9.460 1.00 44.11 H new ATOM 0 HD22 LEU A 29 -0.928 -4.966 -8.887 1.00 44.11 H new ATOM 0 HD23 LEU A 29 -2.006 -5.781 -7.729 1.00 44.11 H new ATOM 490 N ASN A 30 -4.942 -0.983 -7.367 1.00 2.41 N ATOM 491 CA ASN A 30 -6.373 -0.961 -7.081 1.00 73.34 C ATOM 492 C ASN A 30 -7.121 -1.953 -7.953 1.00 72.14 C ATOM 493 O ASN A 30 -6.973 -1.959 -9.172 1.00 22.53 O ATOM 494 CB ASN A 30 -6.993 0.461 -7.228 1.00 43.21 C ATOM 495 CG ASN A 30 -6.930 1.036 -8.646 1.00 43.15 C ATOM 496 OD1 ASN A 30 -7.828 0.823 -9.465 1.00 51.52 O ATOM 497 ND2 ASN A 30 -5.891 1.771 -8.940 1.00 22.12 N ATOM 0 H ASN A 30 -4.647 -0.387 -8.140 1.00 2.41 H new ATOM 0 HA ASN A 30 -6.481 -1.255 -6.037 1.00 73.34 H new ATOM 0 HB2 ASN A 30 -8.035 0.424 -6.910 1.00 43.21 H new ATOM 0 HB3 ASN A 30 -6.477 1.141 -6.550 1.00 43.21 H new ATOM 0 HD21 ASN A 30 -5.806 2.187 -9.868 1.00 22.12 H new ATOM 0 HD22 ASN A 30 -5.164 1.929 -8.242 1.00 22.12 H new ATOM 504 N THR A 31 -7.867 -2.830 -7.333 1.00 75.53 N ATOM 505 CA THR A 31 -8.703 -3.738 -8.062 1.00 33.43 C ATOM 506 C THR A 31 -10.140 -3.579 -7.558 1.00 24.52 C ATOM 507 O THR A 31 -10.415 -3.854 -6.391 1.00 61.43 O ATOM 508 CB THR A 31 -8.242 -5.187 -7.896 1.00 12.52 C ATOM 509 OG1 THR A 31 -6.841 -5.281 -8.199 1.00 13.10 O ATOM 510 CG2 THR A 31 -9.007 -6.100 -8.835 1.00 73.21 C ATOM 0 H THR A 31 -7.910 -2.932 -6.319 1.00 75.53 H new ATOM 0 HA THR A 31 -8.642 -3.502 -9.124 1.00 33.43 H new ATOM 0 HB THR A 31 -8.428 -5.494 -6.867 1.00 12.52 H new ATOM 0 HG1 THR A 31 -6.613 -6.212 -8.405 1.00 13.10 H new ATOM 0 HG21 THR A 31 -8.666 -7.127 -8.703 1.00 73.21 H new ATOM 0 HG22 THR A 31 -10.072 -6.040 -8.613 1.00 73.21 H new ATOM 0 HG23 THR A 31 -8.834 -5.790 -9.865 1.00 73.21 H new ATOM 518 N PRO A 32 -11.065 -3.176 -8.439 1.00 62.20 N ATOM 519 CA PRO A 32 -12.472 -2.837 -8.083 1.00 41.52 C ATOM 520 C PRO A 32 -13.354 -4.062 -7.786 1.00 70.12 C ATOM 521 O PRO A 32 -14.583 -4.003 -7.896 1.00 44.32 O ATOM 522 CB PRO A 32 -12.968 -2.135 -9.346 1.00 3.40 C ATOM 523 CG PRO A 32 -12.201 -2.776 -10.446 1.00 2.30 C ATOM 524 CD PRO A 32 -10.828 -3.038 -9.888 1.00 70.34 C ATOM 0 HA PRO A 32 -12.520 -2.246 -7.169 1.00 41.52 H new ATOM 0 HB2 PRO A 32 -14.042 -2.268 -9.480 1.00 3.40 H new ATOM 0 HB3 PRO A 32 -12.782 -1.062 -9.304 1.00 3.40 H new ATOM 0 HG2 PRO A 32 -12.677 -3.703 -10.766 1.00 2.30 H new ATOM 0 HG3 PRO A 32 -12.151 -2.125 -11.319 1.00 2.30 H new ATOM 0 HD2 PRO A 32 -10.389 -3.942 -10.311 1.00 70.34 H new ATOM 0 HD3 PRO A 32 -10.143 -2.219 -10.106 1.00 70.34 H new ATOM 532 N ASN A 33 -12.737 -5.135 -7.380 1.00 70.51 N ATOM 533 CA ASN A 33 -13.443 -6.376 -7.057 1.00 21.34 C ATOM 534 C ASN A 33 -12.783 -7.003 -5.879 1.00 21.42 C ATOM 535 O ASN A 33 -13.143 -8.099 -5.444 1.00 23.55 O ATOM 536 CB ASN A 33 -13.435 -7.385 -8.229 1.00 61.24 C ATOM 537 CG ASN A 33 -14.229 -6.942 -9.443 1.00 42.42 C ATOM 538 OD1 ASN A 33 -15.434 -7.188 -9.525 1.00 72.31 O ATOM 539 ND2 ASN A 33 -13.571 -6.330 -10.399 1.00 74.30 N ATOM 0 H ASN A 33 -11.726 -5.190 -7.258 1.00 70.51 H new ATOM 0 HA ASN A 33 -14.483 -6.124 -6.848 1.00 21.34 H new ATOM 0 HB2 ASN A 33 -12.403 -7.565 -8.531 1.00 61.24 H new ATOM 0 HB3 ASN A 33 -13.834 -8.336 -7.876 1.00 61.24 H new ATOM 0 HD21 ASN A 33 -14.057 -6.040 -11.248 1.00 74.30 H new ATOM 0 HD22 ASN A 33 -12.574 -6.144 -10.294 1.00 74.30 H new ATOM 546 N CYS A 34 -11.831 -6.300 -5.337 1.00 43.34 N ATOM 547 CA CYS A 34 -11.046 -6.813 -4.291 1.00 30.13 C ATOM 548 C CYS A 34 -10.881 -5.766 -3.234 1.00 45.44 C ATOM 549 O CYS A 34 -11.469 -5.877 -2.148 1.00 42.43 O ATOM 550 CB CYS A 34 -9.695 -7.246 -4.833 1.00 20.33 C ATOM 551 SG CYS A 34 -9.796 -8.428 -6.219 1.00 32.42 S ATOM 0 H CYS A 34 -11.589 -5.351 -5.622 1.00 43.34 H new ATOM 0 HA CYS A 34 -11.537 -7.681 -3.851 1.00 30.13 H new ATOM 0 HB2 CYS A 34 -9.147 -6.363 -5.161 1.00 20.33 H new ATOM 0 HB3 CYS A 34 -9.119 -7.697 -4.025 1.00 20.33 H new ATOM 556 N ALA A 35 -10.112 -4.730 -3.574 1.00 55.54 N ATOM 557 CA ALA A 35 -9.800 -3.610 -2.696 1.00 0.23 C ATOM 558 C ALA A 35 -8.652 -2.826 -3.281 1.00 35.31 C ATOM 559 O ALA A 35 -8.149 -3.144 -4.389 1.00 31.15 O ATOM 560 CB ALA A 35 -9.367 -4.106 -1.326 1.00 62.43 C ATOM 0 H ALA A 35 -9.679 -4.648 -4.494 1.00 55.54 H new ATOM 0 HA ALA A 35 -10.693 -2.992 -2.600 1.00 0.23 H new ATOM 0 HB1 ALA A 35 -9.139 -3.254 -0.686 1.00 62.43 H new ATOM 0 HB2 ALA A 35 -10.172 -4.690 -0.879 1.00 62.43 H new ATOM 0 HB3 ALA A 35 -8.480 -4.730 -1.429 1.00 62.43 H new ATOM 566 N LEU A 36 -8.243 -1.820 -2.552 1.00 33.21 N ATOM 567 CA LEU A 36 -7.105 -1.079 -2.817 1.00 34.04 C ATOM 568 C LEU A 36 -5.957 -1.860 -2.180 1.00 31.11 C ATOM 569 O LEU A 36 -5.814 -1.885 -0.958 1.00 41.34 O ATOM 570 CB LEU A 36 -7.275 0.273 -2.149 1.00 13.52 C ATOM 571 CG LEU A 36 -6.130 1.207 -2.267 1.00 15.54 C ATOM 572 CD1 LEU A 36 -5.942 1.671 -3.708 1.00 42.23 C ATOM 573 CD2 LEU A 36 -6.254 2.365 -1.296 1.00 64.44 C ATOM 0 H LEU A 36 -8.743 -1.504 -1.721 1.00 33.21 H new ATOM 0 HA LEU A 36 -6.920 -0.921 -3.879 1.00 34.04 H new ATOM 0 HB2 LEU A 36 -8.156 0.756 -2.571 1.00 13.52 H new ATOM 0 HB3 LEU A 36 -7.477 0.110 -1.090 1.00 13.52 H new ATOM 0 HG LEU A 36 -5.226 0.665 -1.989 1.00 15.54 H new ATOM 0 HD11 LEU A 36 -5.095 2.355 -3.762 1.00 42.23 H new ATOM 0 HD12 LEU A 36 -5.753 0.808 -4.346 1.00 42.23 H new ATOM 0 HD13 LEU A 36 -6.843 2.182 -4.046 1.00 42.23 H new ATOM 0 HD21 LEU A 36 -5.397 3.029 -1.411 1.00 64.44 H new ATOM 0 HD22 LEU A 36 -7.171 2.917 -1.503 1.00 64.44 H new ATOM 0 HD23 LEU A 36 -6.283 1.983 -0.276 1.00 64.44 H new ATOM 585 N GLN A 37 -5.208 -2.537 -2.990 1.00 61.53 N ATOM 586 CA GLN A 37 -4.199 -3.445 -2.515 1.00 3.41 C ATOM 587 C GLN A 37 -2.856 -2.809 -2.615 1.00 62.14 C ATOM 588 O GLN A 37 -2.458 -2.359 -3.662 1.00 10.54 O ATOM 589 CB GLN A 37 -4.262 -4.695 -3.365 1.00 24.42 C ATOM 590 CG GLN A 37 -5.619 -5.346 -3.295 1.00 22.52 C ATOM 591 CD GLN A 37 -5.843 -6.367 -4.350 1.00 13.33 C ATOM 592 OE1 GLN A 37 -5.573 -7.560 -4.175 1.00 2.54 O ATOM 593 NE2 GLN A 37 -6.333 -5.904 -5.461 1.00 5.33 N ATOM 0 H GLN A 37 -5.275 -2.479 -4.006 1.00 61.53 H new ATOM 0 HA GLN A 37 -4.372 -3.698 -1.469 1.00 3.41 H new ATOM 0 HB2 GLN A 37 -4.031 -4.444 -4.400 1.00 24.42 H new ATOM 0 HB3 GLN A 37 -3.502 -5.401 -3.032 1.00 24.42 H new ATOM 0 HG2 GLN A 37 -5.739 -5.813 -2.318 1.00 22.52 H new ATOM 0 HG3 GLN A 37 -6.387 -4.577 -3.377 1.00 22.52 H new ATOM 0 HE21 GLN A 37 -6.538 -4.909 -5.552 1.00 5.33 H new ATOM 0 HE22 GLN A 37 -6.513 -6.536 -6.242 1.00 5.33 H new ATOM 602 N ILE A 38 -2.166 -2.777 -1.547 1.00 71.40 N ATOM 603 CA ILE A 38 -0.891 -2.152 -1.528 1.00 23.23 C ATOM 604 C ILE A 38 0.186 -3.221 -1.591 1.00 62.34 C ATOM 605 O ILE A 38 0.061 -4.243 -0.952 1.00 52.10 O ATOM 606 CB ILE A 38 -0.735 -1.346 -0.243 1.00 23.22 C ATOM 607 CG1 ILE A 38 -1.864 -0.326 -0.096 1.00 4.12 C ATOM 608 CG2 ILE A 38 0.615 -0.665 -0.197 1.00 43.10 C ATOM 609 CD1 ILE A 38 -1.848 0.400 1.220 1.00 61.21 C ATOM 0 H ILE A 38 -2.460 -3.180 -0.657 1.00 71.40 H new ATOM 0 HA ILE A 38 -0.797 -1.484 -2.384 1.00 23.23 H new ATOM 0 HB ILE A 38 -0.795 -2.037 0.598 1.00 23.22 H new ATOM 0 HG12 ILE A 38 -1.793 0.402 -0.904 1.00 4.12 H new ATOM 0 HG13 ILE A 38 -2.821 -0.836 -0.209 1.00 4.12 H new ATOM 0 HG21 ILE A 38 0.704 -0.096 0.728 1.00 43.10 H new ATOM 0 HG22 ILE A 38 1.403 -1.417 -0.238 1.00 43.10 H new ATOM 0 HG23 ILE A 38 0.712 0.009 -1.048 1.00 43.10 H new ATOM 0 HD11 ILE A 38 -2.676 1.108 1.255 1.00 61.21 H new ATOM 0 HD12 ILE A 38 -1.950 -0.319 2.033 1.00 61.21 H new ATOM 0 HD13 ILE A 38 -0.906 0.938 1.327 1.00 61.21 H new ATOM 621 N VAL A 39 1.203 -2.993 -2.378 1.00 21.23 N ATOM 622 CA VAL A 39 2.339 -3.898 -2.496 1.00 44.55 C ATOM 623 C VAL A 39 3.613 -3.131 -2.169 1.00 21.43 C ATOM 624 O VAL A 39 3.853 -2.067 -2.719 1.00 51.25 O ATOM 625 CB VAL A 39 2.452 -4.479 -3.940 1.00 41.22 C ATOM 626 CG1 VAL A 39 3.674 -5.377 -4.088 1.00 33.04 C ATOM 627 CG2 VAL A 39 1.185 -5.229 -4.333 1.00 13.20 C ATOM 0 H VAL A 39 1.277 -2.164 -2.968 1.00 21.23 H new ATOM 0 HA VAL A 39 2.196 -4.727 -1.803 1.00 44.55 H new ATOM 0 HB VAL A 39 2.573 -3.635 -4.619 1.00 41.22 H new ATOM 0 HG11 VAL A 39 3.720 -5.764 -5.106 1.00 33.04 H new ATOM 0 HG12 VAL A 39 4.576 -4.802 -3.877 1.00 33.04 H new ATOM 0 HG13 VAL A 39 3.601 -6.209 -3.387 1.00 33.04 H new ATOM 0 HG21 VAL A 39 1.294 -5.622 -5.344 1.00 13.20 H new ATOM 0 HG22 VAL A 39 1.020 -6.053 -3.639 1.00 13.20 H new ATOM 0 HG23 VAL A 39 0.334 -4.549 -4.298 1.00 13.20 H new ATOM 637 N ALA A 40 4.406 -3.644 -1.280 1.00 21.41 N ATOM 638 CA ALA A 40 5.624 -2.971 -0.896 1.00 32.54 C ATOM 639 C ALA A 40 6.718 -3.949 -0.614 1.00 3.21 C ATOM 640 O ALA A 40 6.470 -5.012 -0.046 1.00 14.44 O ATOM 641 CB ALA A 40 5.381 -2.158 0.332 1.00 10.54 C ATOM 0 H ALA A 40 4.238 -4.529 -0.801 1.00 21.41 H new ATOM 0 HA ALA A 40 5.929 -2.331 -1.724 1.00 32.54 H new ATOM 0 HB1 ALA A 40 6.302 -1.651 0.621 1.00 10.54 H new ATOM 0 HB2 ALA A 40 4.606 -1.418 0.131 1.00 10.54 H new ATOM 0 HB3 ALA A 40 5.057 -2.811 1.143 1.00 10.54 H new ATOM 647 N ARG A 41 7.924 -3.631 -1.016 1.00 10.53 N ATOM 648 CA ARG A 41 8.989 -4.439 -0.677 1.00 53.42 C ATOM 649 C ARG A 41 9.745 -3.808 0.471 1.00 10.14 C ATOM 650 O ARG A 41 9.842 -2.574 0.565 1.00 23.53 O ATOM 651 CB ARG A 41 9.869 -4.694 -1.864 1.00 64.14 C ATOM 652 CG ARG A 41 10.624 -5.949 -1.679 1.00 44.44 C ATOM 653 CD ARG A 41 11.293 -6.428 -2.927 1.00 10.23 C ATOM 654 NE ARG A 41 11.898 -7.750 -2.748 1.00 0.34 N ATOM 655 CZ ARG A 41 12.276 -8.578 -3.733 1.00 61.52 C ATOM 656 NH1 ARG A 41 12.140 -8.227 -5.007 1.00 22.21 N ATOM 657 NH2 ARG A 41 12.796 -9.756 -3.426 1.00 35.40 N ATOM 0 H ARG A 41 8.157 -2.812 -1.577 1.00 10.53 H new ATOM 0 HA ARG A 41 8.622 -5.412 -0.352 1.00 53.42 H new ATOM 0 HB2 ARG A 41 9.263 -4.755 -2.768 1.00 64.14 H new ATOM 0 HB3 ARG A 41 10.560 -3.862 -1.999 1.00 64.14 H new ATOM 0 HG2 ARG A 41 11.378 -5.800 -0.906 1.00 44.44 H new ATOM 0 HG3 ARG A 41 9.946 -6.723 -1.319 1.00 44.44 H new ATOM 0 HD2 ARG A 41 10.565 -6.468 -3.737 1.00 10.23 H new ATOM 0 HD3 ARG A 41 12.061 -5.714 -3.224 1.00 10.23 H new ATOM 0 HE ARG A 41 12.045 -8.069 -1.790 1.00 0.34 H new ATOM 0 HH11 ARG A 41 11.744 -7.318 -5.246 1.00 22.21 H new ATOM 0 HH12 ARG A 41 12.432 -8.867 -5.746 1.00 22.21 H new ATOM 0 HH21 ARG A 41 12.906 -10.026 -2.448 1.00 35.40 H new ATOM 0 HH22 ARG A 41 13.087 -10.394 -4.167 1.00 35.40 H new ATOM 671 N LEU A 42 10.236 -4.631 1.340 1.00 3.24 N ATOM 672 CA LEU A 42 10.920 -4.189 2.525 1.00 73.13 C ATOM 673 C LEU A 42 12.406 -4.052 2.257 1.00 74.33 C ATOM 674 O LEU A 42 12.985 -4.840 1.513 1.00 24.21 O ATOM 675 CB LEU A 42 10.702 -5.197 3.629 1.00 43.31 C ATOM 676 CG LEU A 42 9.234 -5.595 3.876 1.00 42.44 C ATOM 677 CD1 LEU A 42 9.136 -6.719 4.882 1.00 21.34 C ATOM 678 CD2 LEU A 42 8.412 -4.391 4.333 1.00 53.32 C ATOM 0 H LEU A 42 10.175 -5.645 1.251 1.00 3.24 H new ATOM 0 HA LEU A 42 10.524 -3.218 2.822 1.00 73.13 H new ATOM 0 HB2 LEU A 42 11.271 -6.097 3.395 1.00 43.31 H new ATOM 0 HB3 LEU A 42 11.112 -4.792 4.554 1.00 43.31 H new ATOM 0 HG LEU A 42 8.823 -5.951 2.931 1.00 42.44 H new ATOM 0 HD11 LEU A 42 8.089 -6.979 5.036 1.00 21.34 H new ATOM 0 HD12 LEU A 42 9.675 -7.590 4.508 1.00 21.34 H new ATOM 0 HD13 LEU A 42 9.574 -6.400 5.828 1.00 21.34 H new ATOM 0 HD21 LEU A 42 7.380 -4.698 4.501 1.00 53.32 H new ATOM 0 HD22 LEU A 42 8.829 -3.997 5.260 1.00 53.32 H new ATOM 0 HD23 LEU A 42 8.441 -3.618 3.565 1.00 53.32 H new ATOM 690 N LYS A 43 13.005 -3.086 2.889 1.00 14.25 N ATOM 691 CA LYS A 43 14.414 -2.763 2.718 1.00 20.42 C ATOM 692 C LYS A 43 15.283 -3.725 3.494 1.00 63.52 C ATOM 693 O LYS A 43 16.224 -4.304 2.959 1.00 65.34 O ATOM 694 CB LYS A 43 14.682 -1.345 3.229 1.00 51.42 C ATOM 695 CG LYS A 43 13.873 -0.276 2.535 1.00 1.03 C ATOM 696 CD LYS A 43 14.084 1.105 3.138 1.00 50.10 C ATOM 697 CE LYS A 43 15.517 1.567 3.002 1.00 15.31 C ATOM 698 NZ LYS A 43 15.693 2.947 3.497 1.00 23.41 N ATOM 0 H LYS A 43 12.527 -2.480 3.556 1.00 14.25 H new ATOM 0 HA LYS A 43 14.653 -2.837 1.657 1.00 20.42 H new ATOM 0 HB2 LYS A 43 14.470 -1.309 4.298 1.00 51.42 H new ATOM 0 HB3 LYS A 43 15.742 -1.121 3.107 1.00 51.42 H new ATOM 0 HG2 LYS A 43 14.141 -0.252 1.479 1.00 1.03 H new ATOM 0 HG3 LYS A 43 12.815 -0.534 2.589 1.00 1.03 H new ATOM 0 HD2 LYS A 43 13.424 1.820 2.647 1.00 50.10 H new ATOM 0 HD3 LYS A 43 13.807 1.087 4.192 1.00 50.10 H new ATOM 0 HE2 LYS A 43 16.171 0.895 3.557 1.00 15.31 H new ATOM 0 HE3 LYS A 43 15.819 1.514 1.956 1.00 15.31 H new ATOM 0 HZ1 LYS A 43 16.688 3.231 3.388 1.00 23.41 H new ATOM 0 HZ2 LYS A 43 15.087 3.592 2.950 1.00 23.41 H new ATOM 0 HZ3 LYS A 43 15.428 2.992 4.502 1.00 23.41 H new ATOM 712 N ASN A 44 14.953 -3.907 4.748 1.00 61.42 N ATOM 713 CA ASN A 44 15.765 -4.730 5.629 1.00 1.32 C ATOM 714 C ASN A 44 15.500 -6.199 5.393 1.00 15.24 C ATOM 715 O ASN A 44 16.413 -7.028 5.437 1.00 12.32 O ATOM 716 CB ASN A 44 15.494 -4.371 7.103 1.00 3.30 C ATOM 717 CG ASN A 44 16.347 -5.169 8.083 1.00 23.14 C ATOM 718 OD1 ASN A 44 15.959 -6.251 8.540 1.00 21.35 O ATOM 719 ND2 ASN A 44 17.496 -4.644 8.417 1.00 12.23 N ATOM 0 H ASN A 44 14.128 -3.499 5.188 1.00 61.42 H new ATOM 0 HA ASN A 44 16.813 -4.531 5.405 1.00 1.32 H new ATOM 0 HB2 ASN A 44 15.681 -3.307 7.251 1.00 3.30 H new ATOM 0 HB3 ASN A 44 14.441 -4.543 7.324 1.00 3.30 H new ATOM 0 HD21 ASN A 44 18.106 -5.129 9.075 1.00 12.23 H new ATOM 0 HD22 ASN A 44 17.783 -3.749 8.020 1.00 12.23 H new ATOM 726 N ASN A 45 14.261 -6.512 5.094 1.00 52.14 N ATOM 727 CA ASN A 45 13.840 -7.900 4.963 1.00 42.44 C ATOM 728 C ASN A 45 14.030 -8.396 3.507 1.00 34.45 C ATOM 729 O ASN A 45 14.316 -9.569 3.284 1.00 5.50 O ATOM 730 CB ASN A 45 12.360 -8.014 5.352 1.00 4.40 C ATOM 731 CG ASN A 45 11.894 -9.434 5.661 1.00 31.24 C ATOM 732 OD1 ASN A 45 12.463 -10.408 5.213 1.00 73.50 O ATOM 733 ND2 ASN A 45 10.805 -9.542 6.376 1.00 1.13 N ATOM 0 H ASN A 45 13.521 -5.828 4.935 1.00 52.14 H new ATOM 0 HA ASN A 45 14.451 -8.517 5.622 1.00 42.44 H new ATOM 0 HB2 ASN A 45 12.178 -7.387 6.225 1.00 4.40 H new ATOM 0 HB3 ASN A 45 11.752 -7.614 4.540 1.00 4.40 H new ATOM 0 HD21 ASN A 45 10.412 -10.463 6.570 1.00 1.13 H new ATOM 0 HD22 ASN A 45 10.348 -8.705 6.739 1.00 1.13 H new ATOM 740 N ASN A 46 13.864 -7.473 2.525 1.00 62.53 N ATOM 741 CA ASN A 46 13.954 -7.786 1.053 1.00 62.34 C ATOM 742 C ASN A 46 12.725 -8.601 0.604 1.00 25.22 C ATOM 743 O ASN A 46 12.635 -9.086 -0.513 1.00 20.01 O ATOM 744 CB ASN A 46 15.309 -8.491 0.699 1.00 4.23 C ATOM 745 CG ASN A 46 15.550 -8.726 -0.800 1.00 12.50 C ATOM 746 OD1 ASN A 46 16.096 -7.869 -1.495 1.00 21.23 O ATOM 747 ND2 ASN A 46 15.173 -9.880 -1.300 1.00 22.20 N ATOM 0 H ASN A 46 13.664 -6.491 2.718 1.00 62.53 H new ATOM 0 HA ASN A 46 13.945 -6.850 0.495 1.00 62.34 H new ATOM 0 HB2 ASN A 46 16.128 -7.888 1.093 1.00 4.23 H new ATOM 0 HB3 ASN A 46 15.345 -9.452 1.212 1.00 4.23 H new ATOM 0 HD21 ASN A 46 15.330 -10.084 -2.287 1.00 22.20 H new ATOM 0 HD22 ASN A 46 14.723 -10.572 -0.702 1.00 22.20 H new ATOM 754 N ARG A 47 11.758 -8.700 1.474 1.00 34.20 N ATOM 755 CA ARG A 47 10.531 -9.375 1.167 1.00 24.11 C ATOM 756 C ARG A 47 9.545 -8.421 0.592 1.00 44.01 C ATOM 757 O ARG A 47 9.487 -7.264 1.005 1.00 24.52 O ATOM 758 CB ARG A 47 9.922 -10.027 2.381 1.00 43.14 C ATOM 759 CG ARG A 47 10.617 -11.254 2.880 1.00 41.21 C ATOM 760 CD ARG A 47 9.717 -11.943 3.871 1.00 45.41 C ATOM 761 NE ARG A 47 8.511 -12.476 3.200 1.00 71.51 N ATOM 762 CZ ARG A 47 7.251 -12.382 3.665 1.00 61.31 C ATOM 763 NH1 ARG A 47 6.994 -11.750 4.817 1.00 53.00 N ATOM 764 NH2 ARG A 47 6.248 -12.914 2.970 1.00 60.30 N ATOM 0 H ARG A 47 11.800 -8.314 2.417 1.00 34.20 H new ATOM 0 HA ARG A 47 10.773 -10.152 0.442 1.00 24.11 H new ATOM 0 HB2 ARG A 47 9.895 -9.295 3.188 1.00 43.14 H new ATOM 0 HB3 ARG A 47 8.889 -10.286 2.151 1.00 43.14 H new ATOM 0 HG2 ARG A 47 10.849 -11.922 2.050 1.00 41.21 H new ATOM 0 HG3 ARG A 47 11.564 -10.988 3.349 1.00 41.21 H new ATOM 0 HD2 ARG A 47 10.258 -12.755 4.357 1.00 45.41 H new ATOM 0 HD3 ARG A 47 9.424 -11.242 4.653 1.00 45.41 H new ATOM 0 HE ARG A 47 8.645 -12.955 2.310 1.00 71.51 H new ATOM 0 HH11 ARG A 47 7.757 -11.334 5.352 1.00 53.00 H new ATOM 0 HH12 ARG A 47 6.036 -11.685 5.160 1.00 53.00 H new ATOM 0 HH21 ARG A 47 6.435 -13.391 2.088 1.00 60.30 H new ATOM 0 HH22 ARG A 47 5.292 -12.845 3.319 1.00 60.30 H new ATOM 778 N GLN A 48 8.790 -8.883 -0.355 1.00 51.52 N ATOM 779 CA GLN A 48 7.789 -8.088 -0.957 1.00 11.33 C ATOM 780 C GLN A 48 6.446 -8.553 -0.422 1.00 10.21 C ATOM 781 O GLN A 48 6.067 -9.716 -0.593 1.00 61.23 O ATOM 782 CB GLN A 48 7.872 -8.221 -2.473 1.00 64.40 C ATOM 783 CG GLN A 48 7.020 -7.231 -3.198 1.00 34.30 C ATOM 784 CD GLN A 48 7.124 -7.335 -4.697 1.00 0.42 C ATOM 785 OE1 GLN A 48 7.955 -6.679 -5.320 1.00 32.31 O ATOM 786 NE2 GLN A 48 6.296 -8.148 -5.287 1.00 72.32 N ATOM 0 H GLN A 48 8.858 -9.830 -0.728 1.00 51.52 H new ATOM 0 HA GLN A 48 7.923 -7.033 -0.718 1.00 11.33 H new ATOM 0 HB2 GLN A 48 8.909 -8.097 -2.786 1.00 64.40 H new ATOM 0 HB3 GLN A 48 7.571 -9.229 -2.760 1.00 64.40 H new ATOM 0 HG2 GLN A 48 5.980 -7.373 -2.903 1.00 34.30 H new ATOM 0 HG3 GLN A 48 7.304 -6.225 -2.891 1.00 34.30 H new ATOM 0 HE21 GLN A 48 5.620 -8.676 -4.735 1.00 72.32 H new ATOM 0 HE22 GLN A 48 6.324 -8.257 -6.301 1.00 72.32 H new ATOM 795 N VAL A 49 5.744 -7.666 0.224 1.00 54.42 N ATOM 796 CA VAL A 49 4.498 -8.001 0.887 1.00 71.21 C ATOM 797 C VAL A 49 3.415 -7.033 0.493 1.00 32.21 C ATOM 798 O VAL A 49 3.661 -6.079 -0.247 1.00 12.23 O ATOM 799 CB VAL A 49 4.656 -7.984 2.443 1.00 53.54 C ATOM 800 CG1 VAL A 49 5.653 -9.038 2.894 1.00 34.54 C ATOM 801 CG2 VAL A 49 5.104 -6.597 2.924 1.00 62.23 C ATOM 0 H VAL A 49 6.013 -6.686 0.311 1.00 54.42 H new ATOM 0 HA VAL A 49 4.224 -9.008 0.573 1.00 71.21 H new ATOM 0 HB VAL A 49 3.685 -8.212 2.884 1.00 53.54 H new ATOM 0 HG11 VAL A 49 5.748 -9.009 3.979 1.00 34.54 H new ATOM 0 HG12 VAL A 49 5.304 -10.024 2.587 1.00 34.54 H new ATOM 0 HG13 VAL A 49 6.624 -8.839 2.440 1.00 34.54 H new ATOM 0 HG21 VAL A 49 5.209 -6.604 4.009 1.00 62.23 H new ATOM 0 HG22 VAL A 49 6.062 -6.346 2.469 1.00 62.23 H new ATOM 0 HG23 VAL A 49 4.360 -5.854 2.636 1.00 62.23 H new ATOM 811 N CYS A 50 2.231 -7.270 0.971 1.00 43.12 N ATOM 812 CA CYS A 50 1.145 -6.386 0.702 1.00 25.24 C ATOM 813 C CYS A 50 0.908 -5.529 1.936 1.00 13.12 C ATOM 814 O CYS A 50 1.232 -5.944 3.046 1.00 44.53 O ATOM 815 CB CYS A 50 -0.119 -7.164 0.354 1.00 13.24 C ATOM 816 SG CYS A 50 0.102 -8.434 -0.947 1.00 31.31 S ATOM 0 H CYS A 50 1.995 -8.074 1.552 1.00 43.12 H new ATOM 0 HA CYS A 50 1.393 -5.758 -0.154 1.00 25.24 H new ATOM 0 HB2 CYS A 50 -0.492 -7.648 1.257 1.00 13.24 H new ATOM 0 HB3 CYS A 50 -0.886 -6.460 0.030 1.00 13.24 H new ATOM 821 N ILE A 51 0.368 -4.356 1.755 1.00 24.31 N ATOM 822 CA ILE A 51 0.122 -3.452 2.856 1.00 34.35 C ATOM 823 C ILE A 51 -1.343 -3.113 2.963 1.00 22.52 C ATOM 824 O ILE A 51 -2.046 -3.009 1.953 1.00 42.23 O ATOM 825 CB ILE A 51 0.971 -2.158 2.776 1.00 21.13 C ATOM 826 CG1 ILE A 51 2.439 -2.516 2.739 1.00 14.53 C ATOM 827 CG2 ILE A 51 0.684 -1.222 3.950 1.00 34.03 C ATOM 828 CD1 ILE A 51 3.358 -1.323 2.845 1.00 23.21 C ATOM 0 H ILE A 51 0.085 -3.995 0.844 1.00 24.31 H new ATOM 0 HA ILE A 51 0.430 -3.980 3.758 1.00 34.35 H new ATOM 0 HB ILE A 51 0.700 -1.630 1.862 1.00 21.13 H new ATOM 0 HG12 ILE A 51 2.657 -3.205 3.555 1.00 14.53 H new ATOM 0 HG13 ILE A 51 2.651 -3.046 1.810 1.00 14.53 H new ATOM 0 HG21 ILE A 51 1.298 -0.326 3.859 1.00 34.03 H new ATOM 0 HG22 ILE A 51 -0.370 -0.942 3.943 1.00 34.03 H new ATOM 0 HG23 ILE A 51 0.919 -1.729 4.886 1.00 34.03 H new ATOM 0 HD11 ILE A 51 4.395 -1.658 2.811 1.00 23.21 H new ATOM 0 HD12 ILE A 51 3.169 -0.643 2.014 1.00 23.21 H new ATOM 0 HD13 ILE A 51 3.175 -0.805 3.786 1.00 23.21 H new ATOM 840 N ASP A 52 -1.796 -3.012 4.178 1.00 72.31 N ATOM 841 CA ASP A 52 -3.158 -2.687 4.478 1.00 42.44 C ATOM 842 C ASP A 52 -3.362 -1.173 4.415 1.00 2.14 C ATOM 843 O ASP A 52 -2.624 -0.410 5.061 1.00 14.51 O ATOM 844 CB ASP A 52 -3.466 -3.189 5.851 1.00 1.24 C ATOM 845 CG ASP A 52 -4.901 -3.026 6.219 1.00 42.10 C ATOM 846 OD1 ASP A 52 -5.283 -1.933 6.625 1.00 33.32 O ATOM 847 OD2 ASP A 52 -5.668 -4.003 6.108 1.00 21.41 O ATOM 0 H ASP A 52 -1.216 -3.156 5.005 1.00 72.31 H new ATOM 0 HA ASP A 52 -3.824 -3.152 3.751 1.00 42.44 H new ATOM 0 HB2 ASP A 52 -3.197 -4.243 5.916 1.00 1.24 H new ATOM 0 HB3 ASP A 52 -2.848 -2.657 6.574 1.00 1.24 H new ATOM 852 N PRO A 53 -4.364 -0.715 3.654 1.00 14.11 N ATOM 853 CA PRO A 53 -4.603 0.706 3.436 1.00 72.14 C ATOM 854 C PRO A 53 -5.092 1.510 4.654 1.00 41.32 C ATOM 855 O PRO A 53 -5.188 2.733 4.569 1.00 23.11 O ATOM 856 CB PRO A 53 -5.639 0.745 2.311 1.00 75.03 C ATOM 857 CG PRO A 53 -6.335 -0.563 2.382 1.00 42.41 C ATOM 858 CD PRO A 53 -5.333 -1.553 2.911 1.00 33.43 C ATOM 0 HA PRO A 53 -3.656 1.193 3.202 1.00 72.14 H new ATOM 0 HB2 PRO A 53 -6.337 1.571 2.446 1.00 75.03 H new ATOM 0 HB3 PRO A 53 -5.163 0.886 1.341 1.00 75.03 H new ATOM 0 HG2 PRO A 53 -7.205 -0.504 3.036 1.00 42.41 H new ATOM 0 HG3 PRO A 53 -6.696 -0.864 1.399 1.00 42.41 H new ATOM 0 HD2 PRO A 53 -5.804 -2.290 3.561 1.00 33.43 H new ATOM 0 HD3 PRO A 53 -4.849 -2.103 2.103 1.00 33.43 H new ATOM 866 N LYS A 54 -5.401 0.871 5.781 1.00 14.41 N ATOM 867 CA LYS A 54 -5.858 1.658 6.917 1.00 50.11 C ATOM 868 C LYS A 54 -4.764 1.949 7.936 1.00 11.50 C ATOM 869 O LYS A 54 -5.027 2.537 9.001 1.00 21.43 O ATOM 870 CB LYS A 54 -7.154 1.145 7.543 1.00 33.51 C ATOM 871 CG LYS A 54 -7.125 -0.247 8.071 1.00 53.40 C ATOM 872 CD LYS A 54 -8.497 -0.671 8.480 1.00 54.03 C ATOM 873 CE LYS A 54 -9.011 0.102 9.681 1.00 72.21 C ATOM 874 NZ LYS A 54 -10.369 -0.326 10.061 1.00 64.41 N ATOM 0 H LYS A 54 -5.347 -0.137 5.928 1.00 14.41 H new ATOM 0 HA LYS A 54 -6.119 2.628 6.495 1.00 50.11 H new ATOM 0 HB2 LYS A 54 -7.429 1.815 8.358 1.00 33.51 H new ATOM 0 HB3 LYS A 54 -7.945 1.211 6.796 1.00 33.51 H new ATOM 0 HG2 LYS A 54 -6.739 -0.925 7.310 1.00 53.40 H new ATOM 0 HG3 LYS A 54 -6.449 -0.306 8.924 1.00 53.40 H new ATOM 0 HD2 LYS A 54 -9.181 -0.532 7.643 1.00 54.03 H new ATOM 0 HD3 LYS A 54 -8.490 -1.736 8.713 1.00 54.03 H new ATOM 0 HE2 LYS A 54 -8.335 -0.042 10.524 1.00 72.21 H new ATOM 0 HE3 LYS A 54 -9.015 1.168 9.454 1.00 72.21 H new ATOM 0 HZ1 LYS A 54 -10.688 0.223 10.885 1.00 64.41 H new ATOM 0 HZ2 LYS A 54 -11.019 -0.166 9.265 1.00 64.41 H new ATOM 0 HZ3 LYS A 54 -10.359 -1.338 10.302 1.00 64.41 H new ATOM 888 N LEU A 55 -3.525 1.572 7.596 1.00 22.11 N ATOM 889 CA LEU A 55 -2.364 1.916 8.410 1.00 64.24 C ATOM 890 C LEU A 55 -2.227 3.427 8.506 1.00 44.32 C ATOM 891 O LEU A 55 -2.430 4.136 7.521 1.00 44.02 O ATOM 892 CB LEU A 55 -1.085 1.307 7.823 1.00 34.52 C ATOM 893 CG LEU A 55 -0.851 -0.195 8.042 1.00 1.43 C ATOM 894 CD1 LEU A 55 0.366 -0.643 7.281 1.00 42.20 C ATOM 895 CD2 LEU A 55 -0.635 -0.481 9.516 1.00 52.02 C ATOM 0 H LEU A 55 -3.306 1.028 6.761 1.00 22.11 H new ATOM 0 HA LEU A 55 -2.510 1.505 9.409 1.00 64.24 H new ATOM 0 HB2 LEU A 55 -1.085 1.495 6.749 1.00 34.52 H new ATOM 0 HB3 LEU A 55 -0.234 1.845 8.241 1.00 34.52 H new ATOM 0 HG LEU A 55 -1.729 -0.735 7.687 1.00 1.43 H new ATOM 0 HD11 LEU A 55 0.524 -1.709 7.442 1.00 42.20 H new ATOM 0 HD12 LEU A 55 0.220 -0.455 6.217 1.00 42.20 H new ATOM 0 HD13 LEU A 55 1.238 -0.090 7.631 1.00 42.20 H new ATOM 0 HD21 LEU A 55 -0.470 -1.549 9.659 1.00 52.02 H new ATOM 0 HD22 LEU A 55 0.236 0.071 9.870 1.00 52.02 H new ATOM 0 HD23 LEU A 55 -1.515 -0.171 10.080 1.00 52.02 H new ATOM 907 N LYS A 56 -1.875 3.907 9.675 1.00 74.05 N ATOM 908 CA LYS A 56 -1.797 5.344 9.934 1.00 31.21 C ATOM 909 C LYS A 56 -0.719 5.996 9.081 1.00 22.14 C ATOM 910 O LYS A 56 -0.934 7.075 8.515 1.00 71.22 O ATOM 911 CB LYS A 56 -1.560 5.632 11.425 1.00 64.33 C ATOM 912 CG LYS A 56 -1.614 7.119 11.793 1.00 61.53 C ATOM 913 CD LYS A 56 -1.378 7.377 13.291 1.00 61.22 C ATOM 914 CE LYS A 56 0.104 7.276 13.726 1.00 34.05 C ATOM 915 NZ LYS A 56 0.739 5.965 13.441 1.00 43.12 N ATOM 0 H LYS A 56 -1.634 3.324 10.477 1.00 74.05 H new ATOM 0 HA LYS A 56 -2.758 5.779 9.658 1.00 31.21 H new ATOM 0 HB2 LYS A 56 -2.308 5.097 12.010 1.00 64.33 H new ATOM 0 HB3 LYS A 56 -0.586 5.233 11.710 1.00 64.33 H new ATOM 0 HG2 LYS A 56 -0.864 7.658 11.215 1.00 61.53 H new ATOM 0 HG3 LYS A 56 -2.586 7.523 11.509 1.00 61.53 H new ATOM 0 HD2 LYS A 56 -1.751 8.370 13.540 1.00 61.22 H new ATOM 0 HD3 LYS A 56 -1.964 6.662 13.868 1.00 61.22 H new ATOM 0 HE2 LYS A 56 0.672 8.058 13.222 1.00 34.05 H new ATOM 0 HE3 LYS A 56 0.170 7.473 14.796 1.00 34.05 H new ATOM 0 HZ1 LYS A 56 1.498 5.790 14.130 1.00 43.12 H new ATOM 0 HZ2 LYS A 56 0.026 5.211 13.512 1.00 43.12 H new ATOM 0 HZ3 LYS A 56 1.139 5.974 12.481 1.00 43.12 H new ATOM 929 N TRP A 57 0.431 5.327 8.950 1.00 54.51 N ATOM 930 CA TRP A 57 1.507 5.878 8.142 1.00 61.14 C ATOM 931 C TRP A 57 1.133 5.832 6.654 1.00 64.55 C ATOM 932 O TRP A 57 1.646 6.589 5.843 1.00 44.24 O ATOM 933 CB TRP A 57 2.875 5.202 8.420 1.00 60.33 C ATOM 934 CG TRP A 57 3.022 3.779 7.952 1.00 5.10 C ATOM 935 CD1 TRP A 57 2.771 2.633 8.649 1.00 41.14 C ATOM 936 CD2 TRP A 57 3.493 3.368 6.672 1.00 65.52 C ATOM 937 NE1 TRP A 57 3.053 1.546 7.875 1.00 15.30 N ATOM 938 CE2 TRP A 57 3.497 1.970 6.655 1.00 32.40 C ATOM 939 CE3 TRP A 57 3.906 4.054 5.540 1.00 50.24 C ATOM 940 CZ2 TRP A 57 3.901 1.245 5.546 1.00 2.24 C ATOM 941 CZ3 TRP A 57 4.308 3.339 4.441 1.00 73.43 C ATOM 942 CH2 TRP A 57 4.304 1.945 4.448 1.00 53.40 C ATOM 0 H TRP A 57 0.632 4.426 9.384 1.00 54.51 H new ATOM 0 HA TRP A 57 1.633 6.921 8.432 1.00 61.14 H new ATOM 0 HB2 TRP A 57 3.655 5.800 7.948 1.00 60.33 H new ATOM 0 HB3 TRP A 57 3.059 5.230 9.494 1.00 60.33 H new ATOM 0 HD1 TRP A 57 2.403 2.593 9.664 1.00 41.14 H new ATOM 0 HE1 TRP A 57 2.949 0.573 8.161 1.00 15.30 H new ATOM 0 HE3 TRP A 57 3.911 5.134 5.524 1.00 50.24 H new ATOM 0 HZ2 TRP A 57 3.897 0.165 5.551 1.00 2.24 H new ATOM 0 HZ3 TRP A 57 4.633 3.865 3.555 1.00 73.43 H new ATOM 0 HH2 TRP A 57 4.626 1.410 3.567 1.00 53.40 H new ATOM 953 N ILE A 58 0.218 4.941 6.321 1.00 41.24 N ATOM 954 CA ILE A 58 -0.302 4.833 4.976 1.00 4.24 C ATOM 955 C ILE A 58 -1.324 5.943 4.720 1.00 51.10 C ATOM 956 O ILE A 58 -1.415 6.483 3.619 1.00 4.33 O ATOM 957 CB ILE A 58 -0.926 3.429 4.713 1.00 3.33 C ATOM 958 CG1 ILE A 58 0.159 2.353 4.643 1.00 55.51 C ATOM 959 CG2 ILE A 58 -1.742 3.417 3.452 1.00 50.43 C ATOM 960 CD1 ILE A 58 1.113 2.533 3.476 1.00 25.10 C ATOM 0 H ILE A 58 -0.184 4.272 6.978 1.00 41.24 H new ATOM 0 HA ILE A 58 0.528 4.951 4.280 1.00 4.24 H new ATOM 0 HB ILE A 58 -1.588 3.208 5.550 1.00 3.33 H new ATOM 0 HG12 ILE A 58 0.728 2.361 5.572 1.00 55.51 H new ATOM 0 HG13 ILE A 58 -0.315 1.374 4.568 1.00 55.51 H new ATOM 0 HG21 ILE A 58 -2.162 2.423 3.300 1.00 50.43 H new ATOM 0 HG22 ILE A 58 -2.550 4.144 3.535 1.00 50.43 H new ATOM 0 HG23 ILE A 58 -1.107 3.676 2.605 1.00 50.43 H new ATOM 0 HD11 ILE A 58 1.856 1.736 3.487 1.00 25.10 H new ATOM 0 HD12 ILE A 58 0.555 2.496 2.541 1.00 25.10 H new ATOM 0 HD13 ILE A 58 1.614 3.497 3.561 1.00 25.10 H new ATOM 972 N GLN A 59 -2.070 6.292 5.739 1.00 33.02 N ATOM 973 CA GLN A 59 -3.033 7.363 5.635 1.00 21.33 C ATOM 974 C GLN A 59 -2.363 8.691 5.396 1.00 42.42 C ATOM 975 O GLN A 59 -2.785 9.443 4.521 1.00 23.45 O ATOM 976 CB GLN A 59 -3.985 7.389 6.826 1.00 4.42 C ATOM 977 CG GLN A 59 -4.949 6.215 6.835 1.00 24.01 C ATOM 978 CD GLN A 59 -5.858 6.227 5.612 1.00 34.12 C ATOM 979 OE1 GLN A 59 -6.939 6.810 5.635 1.00 33.43 O ATOM 980 NE2 GLN A 59 -5.433 5.599 4.545 1.00 10.35 N ATOM 0 H GLN A 59 -2.029 5.847 6.656 1.00 33.02 H new ATOM 0 HA GLN A 59 -3.649 7.165 4.758 1.00 21.33 H new ATOM 0 HB2 GLN A 59 -3.405 7.384 7.749 1.00 4.42 H new ATOM 0 HB3 GLN A 59 -4.553 8.319 6.811 1.00 4.42 H new ATOM 0 HG2 GLN A 59 -4.387 5.282 6.862 1.00 24.01 H new ATOM 0 HG3 GLN A 59 -5.555 6.248 7.740 1.00 24.01 H new ATOM 0 HE21 GLN A 59 -4.530 5.124 4.558 1.00 10.35 H new ATOM 0 HE22 GLN A 59 -6.005 5.584 3.700 1.00 10.35 H new ATOM 989 N GLU A 60 -1.293 8.974 6.135 1.00 10.23 N ATOM 990 CA GLU A 60 -0.560 10.204 5.909 1.00 32.33 C ATOM 991 C GLU A 60 0.118 10.142 4.547 1.00 41.01 C ATOM 992 O GLU A 60 0.216 11.150 3.865 1.00 41.13 O ATOM 993 CB GLU A 60 0.460 10.499 7.018 1.00 44.34 C ATOM 994 CG GLU A 60 1.556 9.466 7.158 1.00 0.41 C ATOM 995 CD GLU A 60 2.587 9.845 8.180 1.00 22.54 C ATOM 996 OE1 GLU A 60 3.523 10.606 7.843 1.00 22.12 O ATOM 997 OE2 GLU A 60 2.487 9.404 9.341 1.00 3.35 O ATOM 0 H GLU A 60 -0.925 8.380 6.878 1.00 10.23 H new ATOM 0 HA GLU A 60 -1.274 11.028 5.928 1.00 32.33 H new ATOM 0 HB2 GLU A 60 0.917 11.470 6.824 1.00 44.34 H new ATOM 0 HB3 GLU A 60 -0.069 10.579 7.968 1.00 44.34 H new ATOM 0 HG2 GLU A 60 1.113 8.509 7.433 1.00 0.41 H new ATOM 0 HG3 GLU A 60 2.043 9.326 6.193 1.00 0.41 H new ATOM 1004 N TYR A 61 0.558 8.926 4.157 1.00 43.03 N ATOM 1005 CA TYR A 61 1.151 8.672 2.846 1.00 22.12 C ATOM 1006 C TYR A 61 0.200 9.084 1.740 1.00 63.43 C ATOM 1007 O TYR A 61 0.569 9.794 0.821 1.00 2.43 O ATOM 1008 CB TYR A 61 1.496 7.170 2.671 1.00 54.32 C ATOM 1009 CG TYR A 61 1.900 6.809 1.261 1.00 73.02 C ATOM 1010 CD1 TYR A 61 3.100 7.235 0.712 1.00 52.15 C ATOM 1011 CD2 TYR A 61 1.050 6.055 0.475 1.00 23.10 C ATOM 1012 CE1 TYR A 61 3.429 6.921 -0.593 1.00 74.03 C ATOM 1013 CE2 TYR A 61 1.358 5.731 -0.812 1.00 12.45 C ATOM 1014 CZ TYR A 61 2.556 6.166 -1.355 1.00 52.53 C ATOM 1015 OH TYR A 61 2.878 5.850 -2.662 1.00 33.03 O ATOM 0 H TYR A 61 0.507 8.098 4.751 1.00 43.03 H new ATOM 0 HA TYR A 61 2.066 9.262 2.784 1.00 22.12 H new ATOM 0 HB2 TYR A 61 2.306 6.909 3.352 1.00 54.32 H new ATOM 0 HB3 TYR A 61 0.632 6.570 2.959 1.00 54.32 H new ATOM 0 HD1 TYR A 61 3.784 7.818 1.310 1.00 52.15 H new ATOM 0 HD2 TYR A 61 0.115 5.713 0.893 1.00 23.10 H new ATOM 0 HE1 TYR A 61 4.362 7.263 -1.015 1.00 74.03 H new ATOM 0 HE2 TYR A 61 0.674 5.140 -1.404 1.00 12.45 H new ATOM 0 HH TYR A 61 2.158 5.314 -3.056 1.00 33.03 H new ATOM 1025 N LEU A 62 -1.007 8.624 1.840 1.00 21.23 N ATOM 1026 CA LEU A 62 -2.012 8.885 0.857 1.00 21.40 C ATOM 1027 C LEU A 62 -2.521 10.274 0.877 1.00 41.44 C ATOM 1028 O LEU A 62 -2.711 10.856 -0.163 1.00 40.14 O ATOM 1029 CB LEU A 62 -3.061 7.836 0.919 1.00 61.52 C ATOM 1030 CG LEU A 62 -2.531 6.531 0.380 1.00 71.11 C ATOM 1031 CD1 LEU A 62 -3.295 5.387 0.866 1.00 61.02 C ATOM 1032 CD2 LEU A 62 -2.525 6.545 -1.132 1.00 5.42 C ATOM 0 H LEU A 62 -1.327 8.048 2.618 1.00 21.23 H new ATOM 0 HA LEU A 62 -1.551 8.819 -0.128 1.00 21.40 H new ATOM 0 HB2 LEU A 62 -3.392 7.704 1.949 1.00 61.52 H new ATOM 0 HB3 LEU A 62 -3.931 8.148 0.342 1.00 61.52 H new ATOM 0 HG LEU A 62 -1.509 6.425 0.743 1.00 71.11 H new ATOM 0 HD11 LEU A 62 -2.878 4.469 0.452 1.00 61.02 H new ATOM 0 HD12 LEU A 62 -3.244 5.351 1.954 1.00 61.02 H new ATOM 0 HD13 LEU A 62 -4.335 5.485 0.555 1.00 61.02 H new ATOM 0 HD21 LEU A 62 -2.139 5.595 -1.503 1.00 5.42 H new ATOM 0 HD22 LEU A 62 -3.541 6.692 -1.499 1.00 5.42 H new ATOM 0 HD23 LEU A 62 -1.890 7.357 -1.486 1.00 5.42 H new ATOM 1044 N GLU A 63 -2.706 10.836 2.046 1.00 65.53 N ATOM 1045 CA GLU A 63 -3.079 12.244 2.113 1.00 3.14 C ATOM 1046 C GLU A 63 -1.957 13.108 1.495 1.00 63.03 C ATOM 1047 O GLU A 63 -2.217 14.094 0.801 1.00 12.20 O ATOM 1048 CB GLU A 63 -3.444 12.674 3.543 1.00 11.05 C ATOM 1049 CG GLU A 63 -4.671 11.946 4.087 1.00 72.23 C ATOM 1050 CD GLU A 63 -5.152 12.477 5.418 1.00 23.25 C ATOM 1051 OE1 GLU A 63 -4.624 12.076 6.472 1.00 54.42 O ATOM 1052 OE2 GLU A 63 -6.103 13.299 5.428 1.00 22.45 O ATOM 0 H GLU A 63 -2.610 10.364 2.945 1.00 65.53 H new ATOM 0 HA GLU A 63 -3.984 12.398 1.525 1.00 3.14 H new ATOM 0 HB2 GLU A 63 -2.595 12.487 4.201 1.00 11.05 H new ATOM 0 HB3 GLU A 63 -3.629 13.748 3.558 1.00 11.05 H new ATOM 0 HG2 GLU A 63 -5.480 12.024 3.361 1.00 72.23 H new ATOM 0 HG3 GLU A 63 -4.437 10.887 4.192 1.00 72.23 H new ATOM 1059 N LYS A 64 -0.721 12.675 1.712 1.00 72.43 N ATOM 1060 CA LYS A 64 0.469 13.293 1.133 1.00 2.15 C ATOM 1061 C LYS A 64 0.429 13.177 -0.388 1.00 40.41 C ATOM 1062 O LYS A 64 0.391 14.165 -1.095 1.00 73.25 O ATOM 1063 CB LYS A 64 1.693 12.535 1.613 1.00 74.43 C ATOM 1064 CG LYS A 64 2.988 13.006 1.018 1.00 53.12 C ATOM 1065 CD LYS A 64 3.480 14.306 1.645 1.00 34.11 C ATOM 1066 CE LYS A 64 3.862 14.111 3.109 1.00 13.21 C ATOM 1067 NZ LYS A 64 4.316 15.365 3.736 1.00 33.15 N ATOM 0 H LYS A 64 -0.512 11.872 2.305 1.00 72.43 H new ATOM 0 HA LYS A 64 0.505 14.341 1.431 1.00 2.15 H new ATOM 0 HB2 LYS A 64 1.754 12.618 2.698 1.00 74.43 H new ATOM 0 HB3 LYS A 64 1.564 11.478 1.381 1.00 74.43 H new ATOM 0 HG2 LYS A 64 3.746 12.234 1.148 1.00 53.12 H new ATOM 0 HG3 LYS A 64 2.860 13.149 -0.055 1.00 53.12 H new ATOM 0 HD2 LYS A 64 4.342 14.676 1.089 1.00 34.11 H new ATOM 0 HD3 LYS A 64 2.702 15.065 1.569 1.00 34.11 H new ATOM 0 HE2 LYS A 64 3.005 13.722 3.658 1.00 13.21 H new ATOM 0 HE3 LYS A 64 4.652 13.364 3.180 1.00 13.21 H new ATOM 0 HZ1 LYS A 64 4.565 15.186 4.730 1.00 33.15 H new ATOM 0 HZ2 LYS A 64 5.150 15.724 3.229 1.00 33.15 H new ATOM 0 HZ3 LYS A 64 3.554 16.071 3.692 1.00 33.15 H new ATOM 1081 N ALA A 65 0.456 11.939 -0.856 1.00 74.44 N ATOM 1082 CA ALA A 65 0.415 11.597 -2.284 1.00 34.21 C ATOM 1083 C ALA A 65 -0.794 12.188 -3.010 1.00 35.52 C ATOM 1084 O ALA A 65 -0.734 12.432 -4.215 1.00 51.31 O ATOM 1085 CB ALA A 65 0.423 10.092 -2.465 1.00 12.34 C ATOM 0 H ALA A 65 0.508 11.122 -0.248 1.00 74.44 H new ATOM 0 HA ALA A 65 1.307 12.037 -2.729 1.00 34.21 H new ATOM 0 HB1 ALA A 65 0.392 9.853 -3.528 1.00 12.34 H new ATOM 0 HB2 ALA A 65 1.331 9.678 -2.026 1.00 12.34 H new ATOM 0 HB3 ALA A 65 -0.448 9.662 -1.971 1.00 12.34 H new ATOM 1091 N LEU A 66 -1.886 12.394 -2.301 1.00 31.32 N ATOM 1092 CA LEU A 66 -3.058 13.009 -2.893 1.00 33.21 C ATOM 1093 C LEU A 66 -2.924 14.538 -2.920 1.00 60.20 C ATOM 1094 O LEU A 66 -3.457 15.208 -3.814 1.00 74.04 O ATOM 1095 CB LEU A 66 -4.356 12.569 -2.199 1.00 21.31 C ATOM 1096 CG LEU A 66 -4.748 11.089 -2.347 1.00 62.21 C ATOM 1097 CD1 LEU A 66 -6.029 10.794 -1.582 1.00 33.42 C ATOM 1098 CD2 LEU A 66 -4.902 10.707 -3.814 1.00 62.43 C ATOM 0 H LEU A 66 -1.987 12.145 -1.317 1.00 31.32 H new ATOM 0 HA LEU A 66 -3.120 12.660 -3.924 1.00 33.21 H new ATOM 0 HB2 LEU A 66 -4.267 12.793 -1.136 1.00 21.31 H new ATOM 0 HB3 LEU A 66 -5.173 13.178 -2.586 1.00 21.31 H new ATOM 0 HG LEU A 66 -3.945 10.486 -1.923 1.00 62.21 H new ATOM 0 HD11 LEU A 66 -6.289 9.742 -1.700 1.00 33.42 H new ATOM 0 HD12 LEU A 66 -5.881 11.015 -0.525 1.00 33.42 H new ATOM 0 HD13 LEU A 66 -6.837 11.413 -1.972 1.00 33.42 H new ATOM 0 HD21 LEU A 66 -5.179 9.656 -3.889 1.00 62.43 H new ATOM 0 HD22 LEU A 66 -5.679 11.321 -4.270 1.00 62.43 H new ATOM 0 HD23 LEU A 66 -3.958 10.871 -4.334 1.00 62.43 H new ATOM 1110 N ASN A 67 -2.224 15.087 -1.939 1.00 12.52 N ATOM 1111 CA ASN A 67 -1.925 16.526 -1.905 1.00 61.20 C ATOM 1112 C ASN A 67 -0.853 16.861 -2.939 1.00 31.12 C ATOM 1113 O ASN A 67 -0.797 17.976 -3.463 1.00 71.51 O ATOM 1114 CB ASN A 67 -1.459 16.945 -0.499 1.00 73.53 C ATOM 1115 CG ASN A 67 -1.048 18.410 -0.399 1.00 40.42 C ATOM 1116 OD1 ASN A 67 -1.872 19.283 -0.147 1.00 13.33 O ATOM 1117 ND2 ASN A 67 0.230 18.683 -0.565 1.00 13.14 N ATOM 0 H ASN A 67 -1.847 14.563 -1.149 1.00 12.52 H new ATOM 0 HA ASN A 67 -2.833 17.078 -2.146 1.00 61.20 H new ATOM 0 HB2 ASN A 67 -2.262 16.753 0.212 1.00 73.53 H new ATOM 0 HB3 ASN A 67 -0.616 16.320 -0.204 1.00 73.53 H new ATOM 0 HD21 ASN A 67 0.561 19.645 -0.485 1.00 13.14 H new ATOM 0 HD22 ASN A 67 0.889 17.933 -0.774 1.00 13.14 H new ATOM 1124 N LYS A 68 -0.018 15.878 -3.206 1.00 65.00 N ATOM 1125 CA LYS A 68 1.060 15.951 -4.169 1.00 13.31 C ATOM 1126 C LYS A 68 0.559 16.401 -5.539 1.00 10.22 C ATOM 1127 O LYS A 68 -0.094 15.599 -6.240 1.00 36.48 O ATOM 1128 CB LYS A 68 1.737 14.591 -4.277 1.00 74.52 C ATOM 1129 CG LYS A 68 2.929 14.564 -5.204 1.00 52.43 C ATOM 1130 CD LYS A 68 3.533 13.192 -5.254 1.00 43.13 C ATOM 1131 CE LYS A 68 4.741 13.154 -6.167 1.00 34.13 C ATOM 1132 NZ LYS A 68 5.335 11.804 -6.255 1.00 23.33 N ATOM 1133 OXT LYS A 68 0.855 17.552 -5.934 1.00 36.48 O ATOM 0 H LYS A 68 -0.074 14.972 -2.740 1.00 65.00 H new ATOM 0 HA LYS A 68 1.779 16.693 -3.822 1.00 13.31 H new ATOM 0 HB2 LYS A 68 2.057 14.277 -3.283 1.00 74.52 H new ATOM 0 HB3 LYS A 68 1.006 13.860 -4.622 1.00 74.52 H new ATOM 0 HG2 LYS A 68 2.624 14.869 -6.205 1.00 52.43 H new ATOM 0 HG3 LYS A 68 3.675 15.283 -4.865 1.00 52.43 H new ATOM 0 HD2 LYS A 68 3.824 12.884 -4.250 1.00 43.13 H new ATOM 0 HD3 LYS A 68 2.788 12.477 -5.603 1.00 43.13 H new ATOM 0 HE2 LYS A 68 4.451 13.487 -7.164 1.00 34.13 H new ATOM 0 HE3 LYS A 68 5.491 13.856 -5.803 1.00 34.13 H new ATOM 0 HZ1 LYS A 68 6.158 11.828 -6.890 1.00 23.33 H new ATOM 0 HZ2 LYS A 68 5.637 11.495 -5.309 1.00 23.33 H new ATOM 0 HZ3 LYS A 68 4.629 11.138 -6.628 1.00 23.33 H new TER 1147 LYS A 68