USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 594 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 56 LYS NZ :NH3+ -168:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.499! C(o=0.78!,f=-7.2!) USER MOD Set 2.1: A 31 THR OG1 : rot 10:sc= -1.7! USER MOD Set 2.2: A 37 GLN : amide:sc= -6.07! C(o=-7.8!,f=-9!) USER MOD Set 3.1: A 22 ASN : amide:sc= 0.585 K(o=1.8,f=-2) USER MOD Set 3.2: A 44 ASN : amide:sc= 1.21 K(o=1.8,f=-0.5) USER MOD Single : A 1 LYS N :NH3+ -172:sc=-0.00611 (180deg=-0.077) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 64:sc= 0.908 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 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=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.555 (180deg=0.555) USER MOD Single : A 45 ASN : amide:sc= -0.616 K(o=-0.62,f=-1.9!) USER MOD Single : A 46 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.19) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.512 F(o=-2.8!,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0434 X(o=-0.043,f=-0.0011) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -26.079 -7.691 5.468 1.00 33.13 N ATOM 2 CA LYS A 1 -25.692 -8.062 4.110 1.00 55.33 C ATOM 3 C LYS A 1 -25.023 -9.412 4.141 1.00 5.45 C ATOM 4 O LYS A 1 -24.142 -9.631 4.968 1.00 34.42 O ATOM 5 CB LYS A 1 -24.696 -7.038 3.533 1.00 14.05 C ATOM 6 CG LYS A 1 -25.224 -5.627 3.414 1.00 74.35 C ATOM 7 CD LYS A 1 -24.164 -4.685 2.873 1.00 1.12 C ATOM 8 CE LYS A 1 -23.720 -5.049 1.460 1.00 41.34 C ATOM 9 NZ LYS A 1 -22.698 -4.108 0.950 1.00 73.52 N ATOM 0 H1 LYS A 1 -26.659 -6.828 5.440 1.00 33.13 H new ATOM 0 H2 LYS A 1 -26.628 -8.464 5.896 1.00 33.13 H new ATOM 0 H3 LYS A 1 -25.226 -7.516 6.037 1.00 33.13 H new ATOM 0 HA LYS A 1 -26.586 -8.087 3.486 1.00 55.33 H new ATOM 0 HB2 LYS A 1 -23.807 -7.025 4.163 1.00 14.05 H new ATOM 0 HB3 LYS A 1 -24.382 -7.376 2.546 1.00 14.05 H new ATOM 0 HG2 LYS A 1 -26.093 -5.616 2.756 1.00 74.35 H new ATOM 0 HG3 LYS A 1 -25.559 -5.278 4.391 1.00 74.35 H new ATOM 0 HD2 LYS A 1 -24.553 -3.667 2.876 1.00 1.12 H new ATOM 0 HD3 LYS A 1 -23.299 -4.698 3.536 1.00 1.12 H new ATOM 0 HE2 LYS A 1 -23.318 -6.062 1.454 1.00 41.34 H new ATOM 0 HE3 LYS A 1 -24.583 -5.045 0.795 1.00 41.34 H new ATOM 0 HZ1 LYS A 1 -22.420 -4.386 -0.013 1.00 73.52 H new ATOM 0 HZ2 LYS A 1 -23.091 -3.145 0.932 1.00 73.52 H new ATOM 0 HZ3 LYS A 1 -21.864 -4.131 1.571 1.00 73.52 H new ATOM 25 N PRO A 2 -25.435 -10.354 3.274 1.00 41.02 N ATOM 26 CA PRO A 2 -24.763 -11.639 3.169 1.00 3.41 C ATOM 27 C PRO A 2 -23.360 -11.410 2.617 1.00 20.11 C ATOM 28 O PRO A 2 -23.203 -11.025 1.446 1.00 44.22 O ATOM 29 CB PRO A 2 -25.616 -12.434 2.163 1.00 33.13 C ATOM 30 CG PRO A 2 -26.900 -11.681 2.048 1.00 63.20 C ATOM 31 CD PRO A 2 -26.574 -10.248 2.346 1.00 15.22 C ATOM 0 HA PRO A 2 -24.666 -12.162 4.121 1.00 3.41 H new ATOM 0 HB2 PRO A 2 -25.116 -12.508 1.197 1.00 33.13 H new ATOM 0 HB3 PRO A 2 -25.788 -13.452 2.512 1.00 33.13 H new ATOM 0 HG2 PRO A 2 -27.323 -11.784 1.049 1.00 63.20 H new ATOM 0 HG3 PRO A 2 -27.641 -12.065 2.749 1.00 63.20 H new ATOM 0 HD2 PRO A 2 -26.309 -9.698 1.443 1.00 15.22 H new ATOM 0 HD3 PRO A 2 -27.418 -9.728 2.800 1.00 15.22 H new ATOM 39 N VAL A 3 -22.363 -11.592 3.470 1.00 13.32 N ATOM 40 CA VAL A 3 -20.966 -11.298 3.151 1.00 70.50 C ATOM 41 C VAL A 3 -20.504 -11.985 1.877 1.00 42.32 C ATOM 42 O VAL A 3 -20.328 -13.202 1.824 1.00 44.50 O ATOM 43 CB VAL A 3 -20.008 -11.639 4.325 1.00 23.10 C ATOM 44 CG1 VAL A 3 -18.558 -11.315 3.962 1.00 2.44 C ATOM 45 CG2 VAL A 3 -20.415 -10.875 5.574 1.00 73.11 C ATOM 0 H VAL A 3 -22.498 -11.952 4.415 1.00 13.32 H new ATOM 0 HA VAL A 3 -20.924 -10.222 2.984 1.00 70.50 H new ATOM 0 HB VAL A 3 -20.081 -12.709 4.521 1.00 23.10 H new ATOM 0 HG11 VAL A 3 -17.909 -11.563 4.801 1.00 2.44 H new ATOM 0 HG12 VAL A 3 -18.262 -11.898 3.090 1.00 2.44 H new ATOM 0 HG13 VAL A 3 -18.468 -10.253 3.736 1.00 2.44 H new ATOM 0 HG21 VAL A 3 -19.736 -11.123 6.390 1.00 73.11 H new ATOM 0 HG22 VAL A 3 -20.369 -9.804 5.376 1.00 73.11 H new ATOM 0 HG23 VAL A 3 -21.432 -11.149 5.853 1.00 73.11 H new ATOM 55 N SER A 4 -20.348 -11.194 0.857 1.00 3.21 N ATOM 56 CA SER A 4 -19.903 -11.646 -0.416 1.00 61.23 C ATOM 57 C SER A 4 -18.657 -10.872 -0.777 1.00 62.40 C ATOM 58 O SER A 4 -18.551 -9.684 -0.434 1.00 63.21 O ATOM 59 CB SER A 4 -20.989 -11.389 -1.440 1.00 31.13 C ATOM 60 OG SER A 4 -22.219 -11.978 -1.027 1.00 20.42 O ATOM 0 H SER A 4 -20.533 -10.192 0.894 1.00 3.21 H new ATOM 0 HA SER A 4 -19.684 -12.714 -0.395 1.00 61.23 H new ATOM 0 HB2 SER A 4 -21.121 -10.316 -1.576 1.00 31.13 H new ATOM 0 HB3 SER A 4 -20.690 -11.798 -2.405 1.00 31.13 H new ATOM 0 HG SER A 4 -22.523 -11.553 -0.198 1.00 20.42 H new ATOM 66 N LEU A 5 -17.733 -11.534 -1.448 1.00 73.34 N ATOM 67 CA LEU A 5 -16.450 -10.963 -1.831 1.00 24.03 C ATOM 68 C LEU A 5 -15.619 -10.681 -0.606 1.00 73.11 C ATOM 69 O LEU A 5 -15.676 -9.593 -0.011 1.00 34.42 O ATOM 70 CB LEU A 5 -16.583 -9.708 -2.704 1.00 42.04 C ATOM 71 CG LEU A 5 -15.268 -9.058 -3.171 1.00 41.21 C ATOM 72 CD1 LEU A 5 -14.456 -10.015 -4.034 1.00 23.50 C ATOM 73 CD2 LEU A 5 -15.540 -7.757 -3.913 1.00 62.20 C ATOM 0 H LEU A 5 -17.853 -12.501 -1.749 1.00 73.34 H new ATOM 0 HA LEU A 5 -15.944 -11.707 -2.447 1.00 24.03 H new ATOM 0 HB2 LEU A 5 -17.169 -9.966 -3.586 1.00 42.04 H new ATOM 0 HB3 LEU A 5 -17.154 -8.964 -2.148 1.00 42.04 H new ATOM 0 HG LEU A 5 -14.678 -8.827 -2.284 1.00 41.21 H new ATOM 0 HD11 LEU A 5 -13.533 -9.528 -4.348 1.00 23.50 H new ATOM 0 HD12 LEU A 5 -14.216 -10.909 -3.459 1.00 23.50 H new ATOM 0 HD13 LEU A 5 -15.037 -10.294 -4.913 1.00 23.50 H new ATOM 0 HD21 LEU A 5 -14.596 -7.316 -4.233 1.00 62.20 H new ATOM 0 HD22 LEU A 5 -16.161 -7.959 -4.786 1.00 62.20 H new ATOM 0 HD23 LEU A 5 -16.059 -7.063 -3.252 1.00 62.20 H new ATOM 85 N SER A 6 -14.918 -11.662 -0.204 1.00 52.32 N ATOM 86 CA SER A 6 -14.074 -11.576 0.918 1.00 41.30 C ATOM 87 C SER A 6 -12.669 -11.303 0.432 1.00 73.44 C ATOM 88 O SER A 6 -12.299 -11.708 -0.682 1.00 2.32 O ATOM 89 CB SER A 6 -14.137 -12.888 1.660 1.00 65.34 C ATOM 90 OG SER A 6 -15.479 -13.198 2.038 1.00 2.30 O ATOM 0 H SER A 6 -14.914 -12.575 -0.658 1.00 52.32 H new ATOM 0 HA SER A 6 -14.382 -10.774 1.589 1.00 41.30 H new ATOM 0 HB2 SER A 6 -13.739 -13.685 1.032 1.00 65.34 H new ATOM 0 HB3 SER A 6 -13.507 -12.838 2.548 1.00 65.34 H new ATOM 0 HG SER A 6 -15.495 -14.053 2.516 1.00 2.30 H new ATOM 96 N TYR A 7 -11.902 -10.614 1.219 1.00 12.51 N ATOM 97 CA TYR A 7 -10.560 -10.295 0.833 1.00 32.54 C ATOM 98 C TYR A 7 -9.642 -11.479 1.111 1.00 2.12 C ATOM 99 O TYR A 7 -9.691 -12.075 2.189 1.00 51.54 O ATOM 100 CB TYR A 7 -10.059 -9.017 1.556 1.00 24.43 C ATOM 101 CG TYR A 7 -9.944 -9.127 3.074 1.00 0.21 C ATOM 102 CD1 TYR A 7 -11.026 -8.860 3.904 1.00 34.02 C ATOM 103 CD2 TYR A 7 -8.744 -9.502 3.667 1.00 64.40 C ATOM 104 CE1 TYR A 7 -10.908 -8.966 5.279 1.00 61.32 C ATOM 105 CE2 TYR A 7 -8.623 -9.611 5.031 1.00 13.24 C ATOM 106 CZ TYR A 7 -9.702 -9.343 5.833 1.00 64.14 C ATOM 107 OH TYR A 7 -9.573 -9.454 7.200 1.00 11.41 O ATOM 0 H TYR A 7 -12.181 -10.261 2.134 1.00 12.51 H new ATOM 0 HA TYR A 7 -10.547 -10.090 -0.237 1.00 32.54 H new ATOM 0 HB2 TYR A 7 -9.082 -8.751 1.153 1.00 24.43 H new ATOM 0 HB3 TYR A 7 -10.736 -8.196 1.318 1.00 24.43 H new ATOM 0 HD1 TYR A 7 -11.971 -8.566 3.471 1.00 34.02 H new ATOM 0 HD2 TYR A 7 -7.889 -9.712 3.042 1.00 64.40 H new ATOM 0 HE1 TYR A 7 -11.755 -8.755 5.915 1.00 61.32 H new ATOM 0 HE2 TYR A 7 -7.682 -9.907 5.470 1.00 13.24 H new ATOM 0 HH TYR A 7 -8.659 -9.730 7.421 1.00 11.41 H new ATOM 117 N ARG A 8 -8.855 -11.854 0.135 1.00 34.45 N ATOM 118 CA ARG A 8 -7.880 -12.887 0.329 1.00 72.12 C ATOM 119 C ARG A 8 -6.628 -12.253 0.843 1.00 5.41 C ATOM 120 O ARG A 8 -5.936 -12.773 1.717 1.00 51.44 O ATOM 121 CB ARG A 8 -7.635 -13.652 -0.970 1.00 75.24 C ATOM 122 CG ARG A 8 -6.561 -14.704 -0.883 1.00 65.11 C ATOM 123 CD ARG A 8 -6.859 -15.712 0.207 1.00 23.43 C ATOM 124 NE ARG A 8 -5.872 -16.792 0.246 1.00 52.35 N ATOM 125 CZ ARG A 8 -5.548 -17.480 1.345 1.00 54.33 C ATOM 126 NH1 ARG A 8 -6.026 -17.112 2.520 1.00 62.53 N ATOM 127 NH2 ARG A 8 -4.731 -18.529 1.264 1.00 51.43 N ATOM 0 H ARG A 8 -8.874 -11.456 -0.804 1.00 34.45 H new ATOM 0 HA ARG A 8 -8.240 -13.616 1.055 1.00 72.12 H new ATOM 0 HB2 ARG A 8 -8.567 -14.127 -1.278 1.00 75.24 H new ATOM 0 HB3 ARG A 8 -7.366 -12.940 -1.751 1.00 75.24 H new ATOM 0 HG2 ARG A 8 -6.474 -15.217 -1.841 1.00 65.11 H new ATOM 0 HG3 ARG A 8 -5.600 -14.229 -0.688 1.00 65.11 H new ATOM 0 HD2 ARG A 8 -6.879 -15.206 1.172 1.00 23.43 H new ATOM 0 HD3 ARG A 8 -7.851 -16.134 0.048 1.00 23.43 H new ATOM 0 HE ARG A 8 -5.400 -17.036 -0.624 1.00 52.35 H new ATOM 0 HH11 ARG A 8 -6.643 -16.302 2.589 1.00 62.53 H new ATOM 0 HH12 ARG A 8 -5.778 -17.637 3.359 1.00 62.53 H new ATOM 0 HH21 ARG A 8 -4.350 -18.810 0.361 1.00 51.43 H new ATOM 0 HH22 ARG A 8 -4.486 -19.051 2.105 1.00 51.43 H new ATOM 141 N CYS A 9 -6.392 -11.122 0.329 1.00 53.14 N ATOM 142 CA CYS A 9 -5.297 -10.315 0.723 1.00 44.40 C ATOM 143 C CYS A 9 -5.910 -9.136 1.456 1.00 35.01 C ATOM 144 O CYS A 9 -6.958 -8.652 1.019 1.00 52.30 O ATOM 145 CB CYS A 9 -4.588 -9.792 -0.534 1.00 33.52 C ATOM 146 SG CYS A 9 -4.179 -11.067 -1.783 1.00 63.12 S ATOM 0 H CYS A 9 -6.968 -10.707 -0.403 1.00 53.14 H new ATOM 0 HA CYS A 9 -4.582 -10.863 1.337 1.00 44.40 H new ATOM 0 HB2 CYS A 9 -5.221 -9.037 -1.002 1.00 33.52 H new ATOM 0 HB3 CYS A 9 -3.667 -9.293 -0.232 1.00 33.52 H new ATOM 151 N PRO A 10 -5.304 -8.661 2.588 1.00 11.12 N ATOM 152 CA PRO A 10 -5.804 -7.485 3.327 1.00 2.25 C ATOM 153 C PRO A 10 -6.102 -6.335 2.372 1.00 41.23 C ATOM 154 O PRO A 10 -7.145 -5.682 2.451 1.00 25.31 O ATOM 155 CB PRO A 10 -4.653 -7.113 4.281 1.00 70.01 C ATOM 156 CG PRO A 10 -3.572 -8.139 4.068 1.00 31.33 C ATOM 157 CD PRO A 10 -4.156 -9.266 3.255 1.00 71.23 C ATOM 0 HA PRO A 10 -6.733 -7.693 3.857 1.00 2.25 H new ATOM 0 HB2 PRO A 10 -4.283 -6.110 4.069 1.00 70.01 H new ATOM 0 HB3 PRO A 10 -4.992 -7.116 5.317 1.00 70.01 H new ATOM 0 HG2 PRO A 10 -2.722 -7.695 3.550 1.00 31.33 H new ATOM 0 HG3 PRO A 10 -3.204 -8.510 5.025 1.00 31.33 H new ATOM 0 HD2 PRO A 10 -3.435 -9.654 2.536 1.00 71.23 H new ATOM 0 HD3 PRO A 10 -4.456 -10.101 3.888 1.00 71.23 H new ATOM 165 N CYS A 11 -5.193 -6.117 1.461 1.00 1.35 N ATOM 166 CA CYS A 11 -5.398 -5.170 0.421 1.00 75.31 C ATOM 167 C CYS A 11 -5.942 -5.865 -0.792 1.00 24.03 C ATOM 168 O CYS A 11 -5.197 -6.433 -1.600 1.00 10.42 O ATOM 169 CB CYS A 11 -4.140 -4.388 0.092 1.00 53.13 C ATOM 170 SG CYS A 11 -3.592 -3.315 1.441 1.00 35.10 S ATOM 0 H CYS A 11 -4.293 -6.595 1.426 1.00 1.35 H new ATOM 0 HA CYS A 11 -6.126 -4.438 0.771 1.00 75.31 H new ATOM 0 HB2 CYS A 11 -3.341 -5.086 -0.155 1.00 53.13 H new ATOM 0 HB3 CYS A 11 -4.319 -3.781 -0.796 1.00 53.13 H new ATOM 175 N ARG A 12 -7.249 -5.909 -0.858 1.00 22.13 N ATOM 176 CA ARG A 12 -7.937 -6.460 -2.000 1.00 65.14 C ATOM 177 C ARG A 12 -8.063 -5.304 -2.984 1.00 30.02 C ATOM 178 O ARG A 12 -8.171 -5.481 -4.186 1.00 11.50 O ATOM 179 CB ARG A 12 -9.340 -6.959 -1.544 1.00 12.11 C ATOM 180 CG ARG A 12 -10.038 -8.001 -2.447 1.00 31.32 C ATOM 181 CD ARG A 12 -10.353 -7.518 -3.850 1.00 62.45 C ATOM 182 NE ARG A 12 -10.948 -8.588 -4.658 1.00 42.21 N ATOM 183 CZ ARG A 12 -11.282 -8.487 -5.957 1.00 23.23 C ATOM 184 NH1 ARG A 12 -11.067 -7.358 -6.626 1.00 23.03 N ATOM 185 NH2 ARG A 12 -11.823 -9.519 -6.581 1.00 35.54 N ATOM 0 H ARG A 12 -7.866 -5.564 -0.123 1.00 22.13 H new ATOM 0 HA ARG A 12 -7.416 -7.304 -2.451 1.00 65.14 H new ATOM 0 HB2 ARG A 12 -9.240 -7.387 -0.546 1.00 12.11 H new ATOM 0 HB3 ARG A 12 -9.996 -6.093 -1.455 1.00 12.11 H new ATOM 0 HG2 ARG A 12 -9.403 -8.884 -2.516 1.00 31.32 H new ATOM 0 HG3 ARG A 12 -10.966 -8.312 -1.968 1.00 31.32 H new ATOM 0 HD2 ARG A 12 -11.038 -6.672 -3.801 1.00 62.45 H new ATOM 0 HD3 ARG A 12 -9.441 -7.162 -4.328 1.00 62.45 H new ATOM 0 HE ARG A 12 -11.123 -9.481 -4.197 1.00 42.21 H new ATOM 0 HH11 ARG A 12 -10.645 -6.558 -6.154 1.00 23.03 H new ATOM 0 HH12 ARG A 12 -11.324 -7.292 -7.611 1.00 23.03 H new ATOM 0 HH21 ARG A 12 -11.987 -10.391 -6.077 1.00 35.54 H new ATOM 0 HH22 ARG A 12 -12.077 -9.444 -7.566 1.00 35.54 H new ATOM 199 N PHE A 13 -7.994 -4.117 -2.426 1.00 43.41 N ATOM 200 CA PHE A 13 -8.127 -2.884 -3.150 1.00 1.01 C ATOM 201 C PHE A 13 -6.748 -2.283 -3.309 1.00 11.20 C ATOM 202 O PHE A 13 -5.876 -2.524 -2.472 1.00 54.14 O ATOM 203 CB PHE A 13 -8.988 -1.909 -2.332 1.00 62.44 C ATOM 204 CG PHE A 13 -10.303 -2.476 -1.873 1.00 72.50 C ATOM 205 CD1 PHE A 13 -11.429 -2.384 -2.662 1.00 24.50 C ATOM 206 CD2 PHE A 13 -10.404 -3.104 -0.635 1.00 72.23 C ATOM 207 CE1 PHE A 13 -12.633 -2.908 -2.230 1.00 62.10 C ATOM 208 CE2 PHE A 13 -11.602 -3.628 -0.203 1.00 52.33 C ATOM 209 CZ PHE A 13 -12.718 -3.530 -1.000 1.00 74.21 C ATOM 0 H PHE A 13 -7.839 -3.984 -1.427 1.00 43.41 H new ATOM 0 HA PHE A 13 -8.589 -3.064 -4.120 1.00 1.01 H new ATOM 0 HB2 PHE A 13 -8.421 -1.587 -1.459 1.00 62.44 H new ATOM 0 HB3 PHE A 13 -9.179 -1.020 -2.933 1.00 62.44 H new ATOM 0 HD1 PHE A 13 -11.370 -1.899 -3.625 1.00 24.50 H new ATOM 0 HD2 PHE A 13 -9.531 -3.181 -0.004 1.00 72.23 H new ATOM 0 HE1 PHE A 13 -13.510 -2.831 -2.856 1.00 62.10 H new ATOM 0 HE2 PHE A 13 -11.665 -4.115 0.759 1.00 52.33 H new ATOM 0 HZ PHE A 13 -13.660 -3.939 -0.665 1.00 74.21 H new ATOM 219 N PHE A 14 -6.548 -1.547 -4.372 1.00 40.53 N ATOM 220 CA PHE A 14 -5.310 -0.834 -4.626 1.00 14.53 C ATOM 221 C PHE A 14 -5.600 0.492 -5.289 1.00 50.42 C ATOM 222 O PHE A 14 -6.439 0.576 -6.193 1.00 50.14 O ATOM 223 CB PHE A 14 -4.334 -1.638 -5.492 1.00 3.04 C ATOM 224 CG PHE A 14 -3.768 -2.847 -4.824 1.00 4.40 C ATOM 225 CD1 PHE A 14 -2.916 -2.705 -3.754 1.00 62.21 C ATOM 226 CD2 PHE A 14 -4.078 -4.109 -5.263 1.00 22.03 C ATOM 227 CE1 PHE A 14 -2.378 -3.797 -3.127 1.00 4.23 C ATOM 228 CE2 PHE A 14 -3.544 -5.214 -4.642 1.00 24.41 C ATOM 229 CZ PHE A 14 -2.692 -5.059 -3.571 1.00 24.24 C ATOM 0 H PHE A 14 -7.249 -1.420 -5.102 1.00 40.53 H new ATOM 0 HA PHE A 14 -4.834 -0.673 -3.659 1.00 14.53 H new ATOM 0 HB2 PHE A 14 -4.846 -1.948 -6.403 1.00 3.04 H new ATOM 0 HB3 PHE A 14 -3.513 -0.987 -5.793 1.00 3.04 H new ATOM 0 HD1 PHE A 14 -2.667 -1.715 -3.402 1.00 62.21 H new ATOM 0 HD2 PHE A 14 -4.746 -4.236 -6.102 1.00 22.03 H new ATOM 0 HE1 PHE A 14 -1.710 -3.667 -2.288 1.00 4.23 H new ATOM 0 HE2 PHE A 14 -3.793 -6.204 -4.994 1.00 24.41 H new ATOM 0 HZ PHE A 14 -2.272 -5.926 -3.082 1.00 24.24 H new ATOM 239 N GLU A 15 -4.942 1.507 -4.836 1.00 41.11 N ATOM 240 CA GLU A 15 -5.097 2.832 -5.351 1.00 41.44 C ATOM 241 C GLU A 15 -3.728 3.224 -5.994 1.00 51.12 C ATOM 242 O GLU A 15 -2.673 2.862 -5.462 1.00 12.13 O ATOM 243 CB GLU A 15 -5.465 3.751 -4.159 1.00 24.41 C ATOM 244 CG GLU A 15 -6.250 5.011 -4.505 1.00 55.41 C ATOM 245 CD GLU A 15 -5.581 5.862 -5.514 1.00 33.23 C ATOM 246 OE1 GLU A 15 -4.658 6.578 -5.167 1.00 63.31 O ATOM 247 OE2 GLU A 15 -5.963 5.800 -6.695 1.00 73.22 O ATOM 0 H GLU A 15 -4.263 1.439 -4.078 1.00 41.11 H new ATOM 0 HA GLU A 15 -5.880 2.919 -6.104 1.00 41.44 H new ATOM 0 HB2 GLU A 15 -6.046 3.170 -3.443 1.00 24.41 H new ATOM 0 HB3 GLU A 15 -4.544 4.047 -3.656 1.00 24.41 H new ATOM 0 HG2 GLU A 15 -7.235 4.726 -4.876 1.00 55.41 H new ATOM 0 HG3 GLU A 15 -6.408 5.593 -3.597 1.00 55.41 H new ATOM 254 N SER A 16 -3.746 3.929 -7.126 1.00 10.02 N ATOM 255 CA SER A 16 -2.505 4.255 -7.841 1.00 31.03 C ATOM 256 C SER A 16 -2.261 5.766 -7.981 1.00 22.21 C ATOM 257 O SER A 16 -1.328 6.185 -8.666 1.00 24.50 O ATOM 258 CB SER A 16 -2.525 3.629 -9.231 1.00 4.40 C ATOM 259 OG SER A 16 -2.674 2.225 -9.156 1.00 61.02 O ATOM 0 H SER A 16 -4.595 4.283 -7.566 1.00 10.02 H new ATOM 0 HA SER A 16 -1.692 3.847 -7.241 1.00 31.03 H new ATOM 0 HB2 SER A 16 -3.343 4.054 -9.813 1.00 4.40 H new ATOM 0 HB3 SER A 16 -1.601 3.872 -9.756 1.00 4.40 H new ATOM 0 HG SER A 16 -2.686 1.848 -10.061 1.00 61.02 H new ATOM 265 N HIS A 17 -3.065 6.574 -7.344 1.00 52.21 N ATOM 266 CA HIS A 17 -2.925 8.025 -7.465 1.00 44.54 C ATOM 267 C HIS A 17 -2.156 8.571 -6.278 1.00 0.42 C ATOM 268 O HIS A 17 -1.822 9.766 -6.230 1.00 1.11 O ATOM 269 CB HIS A 17 -4.299 8.710 -7.548 1.00 11.24 C ATOM 270 CG HIS A 17 -5.162 8.241 -8.681 1.00 51.23 C ATOM 271 ND1 HIS A 17 -6.529 8.121 -8.580 1.00 70.11 N ATOM 272 CD2 HIS A 17 -4.851 7.872 -9.951 1.00 1.24 C ATOM 273 CE1 HIS A 17 -7.021 7.702 -9.725 1.00 31.13 C ATOM 274 NE2 HIS A 17 -6.028 7.543 -10.573 1.00 32.22 N ATOM 0 H HIS A 17 -3.824 6.268 -6.736 1.00 52.21 H new ATOM 0 HA HIS A 17 -2.379 8.236 -8.384 1.00 44.54 H new ATOM 0 HB2 HIS A 17 -4.830 8.544 -6.611 1.00 11.24 H new ATOM 0 HB3 HIS A 17 -4.149 9.785 -7.644 1.00 11.24 H new ATOM 0 HD2 HIS A 17 -3.864 7.843 -10.388 1.00 1.24 H new ATOM 0 HE1 HIS A 17 -8.065 7.519 -9.934 1.00 31.13 H new ATOM 0 HE2 HIS A 17 -6.119 7.226 -11.538 1.00 32.22 H new ATOM 283 N VAL A 18 -1.894 7.689 -5.328 1.00 73.44 N ATOM 284 CA VAL A 18 -1.181 7.991 -4.109 1.00 51.24 C ATOM 285 C VAL A 18 0.180 8.653 -4.399 1.00 4.33 C ATOM 286 O VAL A 18 0.964 8.177 -5.245 1.00 51.24 O ATOM 287 CB VAL A 18 -0.954 6.696 -3.286 1.00 72.35 C ATOM 288 CG1 VAL A 18 -0.297 7.008 -1.968 1.00 2.34 C ATOM 289 CG2 VAL A 18 -2.261 5.949 -3.061 1.00 65.33 C ATOM 0 H VAL A 18 -2.183 6.713 -5.391 1.00 73.44 H new ATOM 0 HA VAL A 18 -1.791 8.691 -3.538 1.00 51.24 H new ATOM 0 HB VAL A 18 -0.290 6.052 -3.862 1.00 72.35 H new ATOM 0 HG11 VAL A 18 -0.148 6.085 -1.408 1.00 2.34 H new ATOM 0 HG12 VAL A 18 0.667 7.484 -2.146 1.00 2.34 H new ATOM 0 HG13 VAL A 18 -0.934 7.681 -1.394 1.00 2.34 H new ATOM 0 HG21 VAL A 18 -2.069 5.046 -2.481 1.00 65.33 H new ATOM 0 HG22 VAL A 18 -2.956 6.588 -2.517 1.00 65.33 H new ATOM 0 HG23 VAL A 18 -2.695 5.677 -4.023 1.00 65.33 H new ATOM 299 N ALA A 19 0.431 9.751 -3.733 1.00 22.34 N ATOM 300 CA ALA A 19 1.679 10.465 -3.842 1.00 40.01 C ATOM 301 C ALA A 19 2.446 10.283 -2.564 1.00 25.44 C ATOM 302 O ALA A 19 1.878 10.447 -1.493 1.00 44.42 O ATOM 303 CB ALA A 19 1.412 11.938 -4.065 1.00 41.35 C ATOM 0 H ALA A 19 -0.235 10.181 -3.091 1.00 22.34 H new ATOM 0 HA ALA A 19 2.253 10.079 -4.684 1.00 40.01 H new ATOM 0 HB1 ALA A 19 2.359 12.471 -4.146 1.00 41.35 H new ATOM 0 HB2 ALA A 19 0.842 12.069 -4.984 1.00 41.35 H new ATOM 0 HB3 ALA A 19 0.843 12.336 -3.225 1.00 41.35 H new ATOM 309 N ARG A 20 3.736 9.984 -2.661 1.00 33.21 N ATOM 310 CA ARG A 20 4.559 9.729 -1.474 1.00 72.22 C ATOM 311 C ARG A 20 4.660 10.979 -0.620 1.00 13.44 C ATOM 312 O ARG A 20 4.802 10.904 0.601 1.00 3.52 O ATOM 313 CB ARG A 20 5.950 9.222 -1.863 1.00 40.54 C ATOM 314 CG ARG A 20 6.829 8.794 -0.680 1.00 11.22 C ATOM 315 CD ARG A 20 8.134 8.195 -1.160 1.00 70.43 C ATOM 316 NE ARG A 20 8.935 9.126 -1.945 1.00 70.02 N ATOM 317 CZ ARG A 20 9.683 8.795 -3.004 1.00 4.31 C ATOM 318 NH1 ARG A 20 9.648 7.559 -3.492 1.00 61.21 N ATOM 319 NH2 ARG A 20 10.451 9.706 -3.585 1.00 34.44 N ATOM 0 H ARG A 20 4.239 9.911 -3.546 1.00 33.21 H new ATOM 0 HA ARG A 20 4.074 8.948 -0.888 1.00 72.22 H new ATOM 0 HB2 ARG A 20 5.837 8.375 -2.540 1.00 40.54 H new ATOM 0 HB3 ARG A 20 6.466 10.006 -2.417 1.00 40.54 H new ATOM 0 HG2 ARG A 20 7.033 9.655 -0.044 1.00 11.22 H new ATOM 0 HG3 ARG A 20 6.294 8.066 -0.070 1.00 11.22 H new ATOM 0 HD2 ARG A 20 8.713 7.863 -0.298 1.00 70.43 H new ATOM 0 HD3 ARG A 20 7.922 7.311 -1.761 1.00 70.43 H new ATOM 0 HE ARG A 20 8.925 10.107 -1.665 1.00 70.02 H new ATOM 0 HH11 ARG A 20 9.049 6.857 -3.059 1.00 61.21 H new ATOM 0 HH12 ARG A 20 10.221 7.313 -4.300 1.00 61.21 H new ATOM 0 HH21 ARG A 20 10.472 10.660 -3.225 1.00 34.44 H new ATOM 0 HH22 ARG A 20 11.021 9.453 -4.392 1.00 34.44 H new ATOM 333 N ALA A 21 4.546 12.122 -1.264 1.00 20.12 N ATOM 334 CA ALA A 21 4.577 13.400 -0.583 1.00 25.12 C ATOM 335 C ALA A 21 3.324 13.592 0.288 1.00 63.24 C ATOM 336 O ALA A 21 3.315 14.409 1.217 1.00 2.40 O ATOM 337 CB ALA A 21 4.700 14.527 -1.599 1.00 65.12 C ATOM 0 H ALA A 21 4.429 12.191 -2.275 1.00 20.12 H new ATOM 0 HA ALA A 21 5.446 13.420 0.074 1.00 25.12 H new ATOM 0 HB1 ALA A 21 4.723 15.485 -1.079 1.00 65.12 H new ATOM 0 HB2 ALA A 21 5.620 14.403 -2.171 1.00 65.12 H new ATOM 0 HB3 ALA A 21 3.846 14.502 -2.276 1.00 65.12 H new ATOM 343 N ASN A 22 2.278 12.833 -0.009 1.00 21.41 N ATOM 344 CA ASN A 22 1.011 12.909 0.723 1.00 30.00 C ATOM 345 C ASN A 22 0.849 11.665 1.608 1.00 54.41 C ATOM 346 O ASN A 22 -0.119 11.522 2.342 1.00 3.22 O ATOM 347 CB ASN A 22 -0.164 13.027 -0.272 1.00 21.23 C ATOM 348 CG ASN A 22 -1.541 13.206 0.383 1.00 14.45 C ATOM 349 OD1 ASN A 22 -1.679 13.781 1.477 1.00 55.44 O ATOM 350 ND2 ASN A 22 -2.558 12.724 -0.276 1.00 11.44 N ATOM 0 H ASN A 22 2.279 12.146 -0.763 1.00 21.41 H new ATOM 0 HA ASN A 22 1.013 13.793 1.361 1.00 30.00 H new ATOM 0 HB2 ASN A 22 0.021 13.873 -0.934 1.00 21.23 H new ATOM 0 HB3 ASN A 22 -0.186 12.133 -0.895 1.00 21.23 H new ATOM 0 HD21 ASN A 22 -3.500 12.813 0.104 1.00 11.44 H new ATOM 0 HD22 ASN A 22 -2.411 12.258 -1.171 1.00 11.44 H new ATOM 357 N VAL A 23 1.813 10.777 1.540 1.00 50.54 N ATOM 358 CA VAL A 23 1.800 9.581 2.361 1.00 14.35 C ATOM 359 C VAL A 23 2.465 9.890 3.675 1.00 40.05 C ATOM 360 O VAL A 23 3.602 10.363 3.700 1.00 64.42 O ATOM 361 CB VAL A 23 2.545 8.397 1.688 1.00 34.11 C ATOM 362 CG1 VAL A 23 2.547 7.181 2.589 1.00 3.12 C ATOM 363 CG2 VAL A 23 1.907 8.046 0.373 1.00 4.41 C ATOM 0 H VAL A 23 2.621 10.858 0.923 1.00 50.54 H new ATOM 0 HA VAL A 23 0.761 9.283 2.502 1.00 14.35 H new ATOM 0 HB VAL A 23 3.574 8.710 1.512 1.00 34.11 H new ATOM 0 HG11 VAL A 23 3.074 6.364 2.096 1.00 3.12 H new ATOM 0 HG12 VAL A 23 3.048 7.423 3.526 1.00 3.12 H new ATOM 0 HG13 VAL A 23 1.520 6.878 2.794 1.00 3.12 H new ATOM 0 HG21 VAL A 23 2.445 7.214 -0.082 1.00 4.41 H new ATOM 0 HG22 VAL A 23 0.868 7.760 0.537 1.00 4.41 H new ATOM 0 HG23 VAL A 23 1.945 8.909 -0.292 1.00 4.41 H new ATOM 373 N LYS A 24 1.770 9.645 4.758 1.00 52.11 N ATOM 374 CA LYS A 24 2.305 9.909 6.061 1.00 3.40 C ATOM 375 C LYS A 24 3.318 8.838 6.380 1.00 34.33 C ATOM 376 O LYS A 24 4.480 9.124 6.660 1.00 2.44 O ATOM 377 CB LYS A 24 1.170 9.922 7.070 1.00 72.13 C ATOM 378 CG LYS A 24 1.505 10.384 8.401 1.00 13.15 C ATOM 379 CD LYS A 24 0.221 10.664 9.116 1.00 12.01 C ATOM 380 CE LYS A 24 0.500 11.252 10.406 1.00 43.33 C ATOM 381 NZ LYS A 24 -0.733 11.590 11.136 1.00 1.30 N ATOM 0 H LYS A 24 0.825 9.260 4.757 1.00 52.11 H new ATOM 0 HA LYS A 24 2.798 10.881 6.098 1.00 3.40 H new ATOM 0 HB2 LYS A 24 0.371 10.552 6.679 1.00 72.13 H new ATOM 0 HB3 LYS A 24 0.769 8.911 7.149 1.00 72.13 H new ATOM 0 HG2 LYS A 24 2.084 9.630 8.934 1.00 13.15 H new ATOM 0 HG3 LYS A 24 2.120 11.282 8.352 1.00 13.15 H new ATOM 0 HD2 LYS A 24 -0.396 11.339 8.524 1.00 12.01 H new ATOM 0 HD3 LYS A 24 -0.345 9.741 9.241 1.00 12.01 H new ATOM 0 HE2 LYS A 24 1.094 10.558 11.000 1.00 43.33 H new ATOM 0 HE3 LYS A 24 1.100 12.152 10.272 1.00 43.33 H new ATOM 0 HZ1 LYS A 24 -0.488 12.009 12.056 1.00 1.30 H new ATOM 0 HZ2 LYS A 24 -1.289 12.272 10.582 1.00 1.30 H new ATOM 0 HZ3 LYS A 24 -1.294 10.728 11.287 1.00 1.30 H new ATOM 395 N ARG A 25 2.875 7.621 6.301 1.00 63.33 N ATOM 396 CA ARG A 25 3.722 6.462 6.492 1.00 74.21 C ATOM 397 C ARG A 25 3.143 5.309 5.694 1.00 21.31 C ATOM 398 O ARG A 25 1.922 5.115 5.686 1.00 32.03 O ATOM 399 CB ARG A 25 3.794 6.099 7.983 1.00 40.20 C ATOM 400 CG ARG A 25 4.706 4.913 8.325 1.00 14.44 C ATOM 401 CD ARG A 25 6.156 5.177 7.932 1.00 43.33 C ATOM 402 NE ARG A 25 7.054 4.078 8.328 1.00 33.23 N ATOM 403 CZ ARG A 25 8.367 4.019 8.032 1.00 12.21 C ATOM 404 NH1 ARG A 25 8.921 4.939 7.244 1.00 53.41 N ATOM 405 NH2 ARG A 25 9.114 3.026 8.508 1.00 72.44 N ATOM 0 H ARG A 25 1.902 7.391 6.099 1.00 63.33 H new ATOM 0 HA ARG A 25 4.734 6.678 6.148 1.00 74.21 H new ATOM 0 HB2 ARG A 25 4.138 6.973 8.537 1.00 40.20 H new ATOM 0 HB3 ARG A 25 2.787 5.875 8.335 1.00 40.20 H new ATOM 0 HG2 ARG A 25 4.651 4.710 9.395 1.00 14.44 H new ATOM 0 HG3 ARG A 25 4.348 4.020 7.812 1.00 14.44 H new ATOM 0 HD2 ARG A 25 6.217 5.321 6.853 1.00 43.33 H new ATOM 0 HD3 ARG A 25 6.493 6.103 8.397 1.00 43.33 H new ATOM 0 HE ARG A 25 6.654 3.308 8.864 1.00 33.23 H new ATOM 0 HH11 ARG A 25 8.351 5.693 6.861 1.00 53.41 H new ATOM 0 HH12 ARG A 25 9.916 4.889 7.023 1.00 53.41 H new ATOM 0 HH21 ARG A 25 8.693 2.308 9.098 1.00 72.44 H new ATOM 0 HH22 ARG A 25 10.108 2.983 8.283 1.00 72.44 H new ATOM 419 N LEU A 26 3.986 4.575 5.004 1.00 32.43 N ATOM 420 CA LEU A 26 3.519 3.447 4.238 1.00 33.12 C ATOM 421 C LEU A 26 4.276 2.217 4.608 1.00 2.34 C ATOM 422 O LEU A 26 5.362 2.293 5.191 1.00 24.40 O ATOM 423 CB LEU A 26 3.627 3.624 2.717 1.00 52.45 C ATOM 424 CG LEU A 26 5.024 3.644 2.097 1.00 23.31 C ATOM 425 CD1 LEU A 26 4.909 3.372 0.634 1.00 5.43 C ATOM 426 CD2 LEU A 26 5.709 4.980 2.295 1.00 63.41 C ATOM 0 H LEU A 26 4.992 4.739 4.959 1.00 32.43 H new ATOM 0 HA LEU A 26 2.461 3.361 4.486 1.00 33.12 H new ATOM 0 HB2 LEU A 26 3.063 2.819 2.246 1.00 52.45 H new ATOM 0 HB3 LEU A 26 3.130 4.558 2.453 1.00 52.45 H new ATOM 0 HG LEU A 26 5.624 2.879 2.591 1.00 23.31 H new ATOM 0 HD11 LEU A 26 5.901 3.384 0.183 1.00 5.43 H new ATOM 0 HD12 LEU A 26 4.452 2.394 0.480 1.00 5.43 H new ATOM 0 HD13 LEU A 26 4.289 4.139 0.169 1.00 5.43 H new ATOM 0 HD21 LEU A 26 6.699 4.952 1.840 1.00 63.41 H new ATOM 0 HD22 LEU A 26 5.116 5.766 1.827 1.00 63.41 H new ATOM 0 HD23 LEU A 26 5.806 5.185 3.361 1.00 63.41 H new ATOM 438 N LYS A 27 3.703 1.095 4.279 1.00 41.31 N ATOM 439 CA LYS A 27 4.305 -0.192 4.502 1.00 2.32 C ATOM 440 C LYS A 27 3.993 -1.087 3.359 1.00 51.05 C ATOM 441 O LYS A 27 2.948 -0.947 2.708 1.00 32.54 O ATOM 442 CB LYS A 27 3.767 -0.837 5.773 1.00 54.22 C ATOM 443 CG LYS A 27 4.101 -0.090 7.019 1.00 20.54 C ATOM 444 CD LYS A 27 3.362 -0.645 8.206 1.00 42.25 C ATOM 445 CE LYS A 27 3.628 0.172 9.446 1.00 71.21 C ATOM 446 NZ LYS A 27 2.880 -0.339 10.608 1.00 51.34 N ATOM 0 H LYS A 27 2.784 1.046 3.839 1.00 41.31 H new ATOM 0 HA LYS A 27 5.381 -0.048 4.601 1.00 2.32 H new ATOM 0 HB2 LYS A 27 2.683 -0.925 5.693 1.00 54.22 H new ATOM 0 HB3 LYS A 27 4.164 -1.849 5.851 1.00 54.22 H new ATOM 0 HG2 LYS A 27 5.175 -0.142 7.200 1.00 20.54 H new ATOM 0 HG3 LYS A 27 3.850 0.963 6.892 1.00 20.54 H new ATOM 0 HD2 LYS A 27 2.292 -0.657 7.998 1.00 42.25 H new ATOM 0 HD3 LYS A 27 3.666 -1.678 8.376 1.00 42.25 H new ATOM 0 HE2 LYS A 27 4.695 0.161 9.667 1.00 71.21 H new ATOM 0 HE3 LYS A 27 3.351 1.210 9.264 1.00 71.21 H new ATOM 0 HZ1 LYS A 27 3.089 0.248 11.441 1.00 51.34 H new ATOM 0 HZ2 LYS A 27 1.860 -0.305 10.407 1.00 51.34 H new ATOM 0 HZ3 LYS A 27 3.162 -1.322 10.798 1.00 51.34 H new ATOM 460 N ILE A 28 4.884 -1.977 3.107 1.00 10.23 N ATOM 461 CA ILE A 28 4.679 -3.011 2.131 1.00 64.33 C ATOM 462 C ILE A 28 4.611 -4.310 2.871 1.00 54.22 C ATOM 463 O ILE A 28 5.602 -4.775 3.433 1.00 55.33 O ATOM 464 CB ILE A 28 5.787 -3.075 1.024 1.00 43.34 C ATOM 465 CG1 ILE A 28 5.796 -1.791 0.186 1.00 52.41 C ATOM 466 CG2 ILE A 28 5.607 -4.299 0.117 1.00 54.43 C ATOM 467 CD1 ILE A 28 6.764 -1.824 -0.981 1.00 44.31 C ATOM 0 H ILE A 28 5.790 -2.017 3.573 1.00 10.23 H new ATOM 0 HA ILE A 28 3.756 -2.794 1.594 1.00 64.33 H new ATOM 0 HB ILE A 28 6.748 -3.169 1.531 1.00 43.34 H new ATOM 0 HG12 ILE A 28 4.791 -1.610 -0.194 1.00 52.41 H new ATOM 0 HG13 ILE A 28 6.049 -0.950 0.831 1.00 52.41 H new ATOM 0 HG21 ILE A 28 6.393 -4.311 -0.638 1.00 54.43 H new ATOM 0 HG22 ILE A 28 5.666 -5.208 0.716 1.00 54.43 H new ATOM 0 HG23 ILE A 28 4.634 -4.249 -0.372 1.00 54.43 H new ATOM 0 HD11 ILE A 28 6.711 -0.880 -1.524 1.00 44.31 H new ATOM 0 HD12 ILE A 28 7.778 -1.972 -0.609 1.00 44.31 H new ATOM 0 HD13 ILE A 28 6.500 -2.643 -1.650 1.00 44.31 H new ATOM 479 N LEU A 29 3.456 -4.866 2.903 1.00 52.44 N ATOM 480 CA LEU A 29 3.221 -6.075 3.600 1.00 35.53 C ATOM 481 C LEU A 29 3.364 -7.228 2.629 1.00 2.14 C ATOM 482 O LEU A 29 2.549 -7.391 1.701 1.00 74.04 O ATOM 483 CB LEU A 29 1.813 -6.047 4.212 1.00 42.31 C ATOM 484 CG LEU A 29 1.422 -7.216 5.121 1.00 41.01 C ATOM 485 CD1 LEU A 29 2.327 -7.283 6.338 1.00 44.33 C ATOM 486 CD2 LEU A 29 -0.035 -7.092 5.545 1.00 44.42 C ATOM 0 H LEU A 29 2.632 -4.486 2.437 1.00 52.44 H new ATOM 0 HA LEU A 29 3.942 -6.197 4.408 1.00 35.53 H new ATOM 0 HB2 LEU A 29 1.712 -5.125 4.785 1.00 42.31 H new ATOM 0 HB3 LEU A 29 1.091 -5.997 3.397 1.00 42.31 H new ATOM 0 HG LEU A 29 1.544 -8.142 4.558 1.00 41.01 H new ATOM 0 HD11 LEU A 29 2.029 -8.121 6.968 1.00 44.33 H new ATOM 0 HD12 LEU A 29 3.359 -7.420 6.017 1.00 44.33 H new ATOM 0 HD13 LEU A 29 2.243 -6.356 6.905 1.00 44.33 H new ATOM 0 HD21 LEU A 29 -0.299 -7.930 6.191 1.00 44.42 H new ATOM 0 HD22 LEU A 29 -0.178 -6.157 6.087 1.00 44.42 H new ATOM 0 HD23 LEU A 29 -0.673 -7.100 4.661 1.00 44.42 H new ATOM 498 N ASN A 30 4.416 -7.980 2.808 1.00 21.30 N ATOM 499 CA ASN A 30 4.686 -9.148 1.999 1.00 72.50 C ATOM 500 C ASN A 30 4.086 -10.318 2.718 1.00 53.22 C ATOM 501 O ASN A 30 4.632 -10.784 3.721 1.00 12.10 O ATOM 502 CB ASN A 30 6.202 -9.381 1.858 1.00 70.11 C ATOM 503 CG ASN A 30 6.957 -8.202 1.271 1.00 40.33 C ATOM 504 OD1 ASN A 30 7.410 -7.318 1.995 1.00 3.54 O ATOM 505 ND2 ASN A 30 7.114 -8.184 -0.016 1.00 35.52 N ATOM 0 H ASN A 30 5.119 -7.801 3.525 1.00 21.30 H new ATOM 0 HA ASN A 30 4.268 -9.017 1.001 1.00 72.50 H new ATOM 0 HB2 ASN A 30 6.616 -9.612 2.839 1.00 70.11 H new ATOM 0 HB3 ASN A 30 6.368 -10.255 1.228 1.00 70.11 H new ATOM 0 HD21 ASN A 30 7.627 -7.420 -0.457 1.00 35.52 H new ATOM 0 HD22 ASN A 30 6.725 -8.934 -0.588 1.00 35.52 H new ATOM 512 N THR A 31 2.957 -10.760 2.270 1.00 31.11 N ATOM 513 CA THR A 31 2.277 -11.815 2.951 1.00 54.33 C ATOM 514 C THR A 31 2.595 -13.173 2.332 1.00 33.22 C ATOM 515 O THR A 31 2.821 -13.271 1.128 1.00 61.42 O ATOM 516 CB THR A 31 0.756 -11.579 2.968 1.00 53.21 C ATOM 517 OG1 THR A 31 0.284 -11.402 1.639 1.00 64.14 O ATOM 518 CG2 THR A 31 0.413 -10.349 3.773 1.00 31.41 C ATOM 0 H THR A 31 2.485 -10.408 1.437 1.00 31.11 H new ATOM 0 HA THR A 31 2.636 -11.818 3.980 1.00 54.33 H new ATOM 0 HB THR A 31 0.282 -12.448 3.424 1.00 53.21 H new ATOM 0 HG1 THR A 31 0.998 -11.626 1.006 1.00 64.14 H new ATOM 0 HG21 THR A 31 -0.667 -10.202 3.771 1.00 31.41 H new ATOM 0 HG22 THR A 31 0.760 -10.477 4.798 1.00 31.41 H new ATOM 0 HG23 THR A 31 0.898 -9.478 3.332 1.00 31.41 H new ATOM 526 N PRO A 32 2.662 -14.236 3.153 1.00 72.32 N ATOM 527 CA PRO A 32 2.886 -15.601 2.657 1.00 21.43 C ATOM 528 C PRO A 32 1.698 -16.109 1.826 1.00 34.41 C ATOM 529 O PRO A 32 1.863 -16.925 0.913 1.00 40.31 O ATOM 530 CB PRO A 32 3.024 -16.446 3.937 1.00 54.40 C ATOM 531 CG PRO A 32 3.272 -15.466 5.035 1.00 74.42 C ATOM 532 CD PRO A 32 2.588 -14.196 4.626 1.00 53.12 C ATOM 0 HA PRO A 32 3.757 -15.653 2.003 1.00 21.43 H new ATOM 0 HB2 PRO A 32 2.120 -17.025 4.124 1.00 54.40 H new ATOM 0 HB3 PRO A 32 3.846 -17.157 3.852 1.00 54.40 H new ATOM 0 HG2 PRO A 32 2.876 -15.834 5.982 1.00 74.42 H new ATOM 0 HG3 PRO A 32 4.340 -15.304 5.178 1.00 74.42 H new ATOM 0 HD2 PRO A 32 1.557 -14.162 4.977 1.00 53.12 H new ATOM 0 HD3 PRO A 32 3.091 -13.318 5.031 1.00 53.12 H new ATOM 540 N ASN A 33 0.513 -15.616 2.140 1.00 54.45 N ATOM 541 CA ASN A 33 -0.715 -16.038 1.447 1.00 53.54 C ATOM 542 C ASN A 33 -0.877 -15.301 0.116 1.00 40.11 C ATOM 543 O ASN A 33 -1.246 -15.896 -0.887 1.00 74.24 O ATOM 544 CB ASN A 33 -1.971 -15.808 2.329 1.00 24.34 C ATOM 545 CG ASN A 33 -2.229 -14.334 2.613 1.00 22.25 C ATOM 546 OD1 ASN A 33 -2.929 -13.661 1.880 1.00 61.04 O ATOM 547 ND2 ASN A 33 -1.660 -13.831 3.663 1.00 15.54 N ATOM 0 H ASN A 33 0.364 -14.920 2.871 1.00 54.45 H new ATOM 0 HA ASN A 33 -0.621 -17.106 1.250 1.00 53.54 H new ATOM 0 HB2 ASN A 33 -2.842 -16.236 1.832 1.00 24.34 H new ATOM 0 HB3 ASN A 33 -1.849 -16.340 3.273 1.00 24.34 H new ATOM 0 HD21 ASN A 33 -1.794 -12.846 3.893 1.00 15.54 H new ATOM 0 HD22 ASN A 33 -1.078 -14.420 4.259 1.00 15.54 H new ATOM 554 N CYS A 34 -0.574 -14.026 0.114 1.00 21.30 N ATOM 555 CA CYS A 34 -0.724 -13.199 -1.066 1.00 53.21 C ATOM 556 C CYS A 34 0.688 -12.797 -1.503 1.00 5.41 C ATOM 557 O CYS A 34 1.619 -13.620 -1.420 1.00 53.35 O ATOM 558 CB CYS A 34 -1.539 -11.959 -0.661 1.00 13.31 C ATOM 559 SG CYS A 34 -2.171 -10.930 -2.021 1.00 44.13 S ATOM 0 H CYS A 34 -0.216 -13.529 0.929 1.00 21.30 H new ATOM 0 HA CYS A 34 -1.234 -13.711 -1.882 1.00 53.21 H new ATOM 0 HB2 CYS A 34 -2.386 -12.288 -0.059 1.00 13.31 H new ATOM 0 HB3 CYS A 34 -0.916 -11.335 -0.021 1.00 13.31 H new ATOM 564 N ALA A 35 0.859 -11.593 -1.990 1.00 13.03 N ATOM 565 CA ALA A 35 2.158 -11.126 -2.362 1.00 54.44 C ATOM 566 C ALA A 35 2.430 -9.763 -1.773 1.00 32.30 C ATOM 567 O ALA A 35 3.036 -9.647 -0.710 1.00 24.53 O ATOM 568 CB ALA A 35 2.339 -11.114 -3.870 1.00 74.55 C ATOM 0 H ALA A 35 0.106 -10.920 -2.136 1.00 13.03 H new ATOM 0 HA ALA A 35 2.887 -11.825 -1.952 1.00 54.44 H new ATOM 0 HB1 ALA A 35 3.338 -10.753 -4.114 1.00 74.55 H new ATOM 0 HB2 ALA A 35 2.213 -12.124 -4.260 1.00 74.55 H new ATOM 0 HB3 ALA A 35 1.596 -10.456 -4.320 1.00 74.55 H new ATOM 574 N LEU A 36 1.921 -8.740 -2.412 1.00 63.50 N ATOM 575 CA LEU A 36 2.201 -7.396 -1.998 1.00 1.10 C ATOM 576 C LEU A 36 0.963 -6.656 -1.614 1.00 73.20 C ATOM 577 O LEU A 36 0.047 -6.500 -2.413 1.00 74.33 O ATOM 578 CB LEU A 36 2.924 -6.629 -3.104 1.00 61.12 C ATOM 579 CG LEU A 36 4.296 -7.153 -3.505 1.00 65.20 C ATOM 580 CD1 LEU A 36 4.867 -6.319 -4.624 1.00 52.24 C ATOM 581 CD2 LEU A 36 5.228 -7.128 -2.322 1.00 61.43 C ATOM 0 H LEU A 36 1.308 -8.817 -3.224 1.00 63.50 H new ATOM 0 HA LEU A 36 2.842 -7.466 -1.120 1.00 1.10 H new ATOM 0 HB2 LEU A 36 2.288 -6.625 -3.989 1.00 61.12 H new ATOM 0 HB3 LEU A 36 3.034 -5.592 -2.785 1.00 61.12 H new ATOM 0 HG LEU A 36 4.188 -8.181 -3.850 1.00 65.20 H new ATOM 0 HD11 LEU A 36 5.848 -6.705 -4.901 1.00 52.24 H new ATOM 0 HD12 LEU A 36 4.203 -6.364 -5.487 1.00 52.24 H new ATOM 0 HD13 LEU A 36 4.964 -5.285 -4.294 1.00 52.24 H new ATOM 0 HD21 LEU A 36 6.206 -7.505 -2.621 1.00 61.43 H new ATOM 0 HD22 LEU A 36 5.329 -6.105 -1.960 1.00 61.43 H new ATOM 0 HD23 LEU A 36 4.825 -7.756 -1.528 1.00 61.43 H new ATOM 593 N GLN A 37 0.921 -6.225 -0.393 1.00 64.53 N ATOM 594 CA GLN A 37 -0.118 -5.360 0.040 1.00 65.41 C ATOM 595 C GLN A 37 0.564 -4.111 0.534 1.00 40.01 C ATOM 596 O GLN A 37 1.440 -4.189 1.364 1.00 62.40 O ATOM 597 CB GLN A 37 -0.992 -5.974 1.173 1.00 4.52 C ATOM 598 CG GLN A 37 -1.848 -7.220 0.818 1.00 11.14 C ATOM 599 CD GLN A 37 -1.170 -8.608 0.940 1.00 45.44 C ATOM 600 OE1 GLN A 37 -1.837 -9.583 1.231 1.00 22.14 O ATOM 601 NE2 GLN A 37 0.098 -8.718 0.733 1.00 3.10 N ATOM 0 H GLN A 37 1.605 -6.464 0.325 1.00 64.53 H new ATOM 0 HA GLN A 37 -0.804 -5.168 -0.785 1.00 65.41 H new ATOM 0 HB2 GLN A 37 -0.333 -6.242 1.999 1.00 4.52 H new ATOM 0 HB3 GLN A 37 -1.663 -5.197 1.539 1.00 4.52 H new ATOM 0 HG2 GLN A 37 -2.729 -7.218 1.460 1.00 11.14 H new ATOM 0 HG3 GLN A 37 -2.200 -7.106 -0.207 1.00 11.14 H new ATOM 0 HE21 GLN A 37 0.648 -7.894 0.490 1.00 3.10 H new ATOM 0 HE22 GLN A 37 0.551 -9.629 0.813 1.00 3.10 H new ATOM 610 N ILE A 38 0.191 -2.984 0.033 1.00 53.12 N ATOM 611 CA ILE A 38 0.849 -1.750 0.419 1.00 62.52 C ATOM 612 C ILE A 38 -0.182 -0.816 0.992 1.00 33.34 C ATOM 613 O ILE A 38 -1.301 -0.822 0.541 1.00 5.21 O ATOM 614 CB ILE A 38 1.517 -1.090 -0.804 1.00 24.45 C ATOM 615 CG1 ILE A 38 2.380 -2.110 -1.546 1.00 3.43 C ATOM 616 CG2 ILE A 38 2.380 0.087 -0.360 1.00 22.23 C ATOM 617 CD1 ILE A 38 3.026 -1.563 -2.780 1.00 14.41 C ATOM 0 H ILE A 38 -0.563 -2.875 -0.645 1.00 53.12 H new ATOM 0 HA ILE A 38 1.619 -1.966 1.159 1.00 62.52 H new ATOM 0 HB ILE A 38 0.737 -0.728 -1.474 1.00 24.45 H new ATOM 0 HG12 ILE A 38 3.155 -2.477 -0.872 1.00 3.43 H new ATOM 0 HG13 ILE A 38 1.763 -2.966 -1.818 1.00 3.43 H new ATOM 0 HG21 ILE A 38 2.847 0.545 -1.232 1.00 22.23 H new ATOM 0 HG22 ILE A 38 1.757 0.824 0.148 1.00 22.23 H new ATOM 0 HG23 ILE A 38 3.154 -0.266 0.322 1.00 22.23 H new ATOM 0 HD11 ILE A 38 3.623 -2.342 -3.254 1.00 14.41 H new ATOM 0 HD12 ILE A 38 2.257 -1.222 -3.473 1.00 14.41 H new ATOM 0 HD13 ILE A 38 3.670 -0.725 -2.513 1.00 14.41 H new ATOM 629 N VAL A 39 0.178 -0.023 1.971 1.00 15.03 N ATOM 630 CA VAL A 39 -0.790 0.869 2.608 1.00 55.42 C ATOM 631 C VAL A 39 -0.297 2.304 2.676 1.00 14.10 C ATOM 632 O VAL A 39 0.858 2.545 2.963 1.00 22.52 O ATOM 633 CB VAL A 39 -1.208 0.384 4.021 1.00 71.23 C ATOM 634 CG1 VAL A 39 -1.966 -0.935 3.941 1.00 1.24 C ATOM 635 CG2 VAL A 39 0.004 0.244 4.940 1.00 10.15 C ATOM 0 H VAL A 39 1.124 0.032 2.350 1.00 15.03 H new ATOM 0 HA VAL A 39 -1.672 0.842 1.968 1.00 55.42 H new ATOM 0 HB VAL A 39 -1.870 1.139 4.445 1.00 71.23 H new ATOM 0 HG11 VAL A 39 -2.248 -1.254 4.944 1.00 1.24 H new ATOM 0 HG12 VAL A 39 -2.863 -0.803 3.337 1.00 1.24 H new ATOM 0 HG13 VAL A 39 -1.330 -1.693 3.485 1.00 1.24 H new ATOM 0 HG21 VAL A 39 -0.322 -0.097 5.923 1.00 10.15 H new ATOM 0 HG22 VAL A 39 0.700 -0.480 4.517 1.00 10.15 H new ATOM 0 HG23 VAL A 39 0.500 1.210 5.038 1.00 10.15 H new ATOM 645 N ALA A 40 -1.179 3.241 2.390 1.00 14.13 N ATOM 646 CA ALA A 40 -0.872 4.656 2.453 1.00 40.03 C ATOM 647 C ALA A 40 -1.875 5.379 3.288 1.00 22.12 C ATOM 648 O ALA A 40 -3.053 5.410 2.943 1.00 74.41 O ATOM 649 CB ALA A 40 -0.926 5.282 1.068 1.00 53.41 C ATOM 0 H ALA A 40 -2.137 3.040 2.105 1.00 14.13 H new ATOM 0 HA ALA A 40 0.127 4.743 2.881 1.00 40.03 H new ATOM 0 HB1 ALA A 40 -0.692 6.344 1.139 1.00 53.41 H new ATOM 0 HB2 ALA A 40 -0.199 4.793 0.419 1.00 53.41 H new ATOM 0 HB3 ALA A 40 -1.925 5.158 0.651 1.00 53.41 H new ATOM 655 N ARG A 41 -1.457 5.939 4.377 1.00 0.14 N ATOM 656 CA ARG A 41 -2.330 6.823 5.073 1.00 10.02 C ATOM 657 C ARG A 41 -2.002 8.213 4.690 1.00 32.01 C ATOM 658 O ARG A 41 -0.866 8.674 4.861 1.00 53.23 O ATOM 659 CB ARG A 41 -2.374 6.620 6.577 1.00 4.35 C ATOM 660 CG ARG A 41 -3.254 7.627 7.296 1.00 61.33 C ATOM 661 CD ARG A 41 -3.737 7.100 8.637 1.00 11.11 C ATOM 662 NE ARG A 41 -2.656 6.660 9.511 1.00 72.14 N ATOM 663 CZ ARG A 41 -2.828 5.875 10.579 1.00 23.40 C ATOM 664 NH1 ARG A 41 -4.048 5.447 10.920 1.00 52.01 N ATOM 665 NH2 ARG A 41 -1.790 5.515 11.298 1.00 70.20 N ATOM 0 H ARG A 41 -0.537 5.804 4.796 1.00 0.14 H new ATOM 0 HA ARG A 41 -3.349 6.588 4.766 1.00 10.02 H new ATOM 0 HB2 ARG A 41 -2.737 5.614 6.790 1.00 4.35 H new ATOM 0 HB3 ARG A 41 -1.361 6.684 6.975 1.00 4.35 H new ATOM 0 HG2 ARG A 41 -2.698 8.552 7.448 1.00 61.33 H new ATOM 0 HG3 ARG A 41 -4.113 7.871 6.671 1.00 61.33 H new ATOM 0 HD2 ARG A 41 -4.307 7.880 9.141 1.00 11.11 H new ATOM 0 HD3 ARG A 41 -4.419 6.267 8.467 1.00 11.11 H new ATOM 0 HE ARG A 41 -1.709 6.971 9.294 1.00 72.14 H new ATOM 0 HH11 ARG A 41 -4.858 5.719 10.363 1.00 52.01 H new ATOM 0 HH12 ARG A 41 -4.169 4.848 11.737 1.00 52.01 H new ATOM 0 HH21 ARG A 41 -0.856 5.834 11.041 1.00 70.20 H new ATOM 0 HH22 ARG A 41 -1.918 4.916 12.114 1.00 70.20 H new ATOM 679 N LEU A 42 -2.971 8.858 4.132 1.00 1.32 N ATOM 680 CA LEU A 42 -2.792 10.191 3.595 1.00 13.44 C ATOM 681 C LEU A 42 -2.603 11.195 4.701 1.00 53.42 C ATOM 682 O LEU A 42 -3.291 11.141 5.705 1.00 62.41 O ATOM 683 CB LEU A 42 -3.981 10.613 2.712 1.00 51.22 C ATOM 684 CG LEU A 42 -4.341 9.694 1.520 1.00 73.23 C ATOM 685 CD1 LEU A 42 -5.225 10.390 0.495 1.00 73.41 C ATOM 686 CD2 LEU A 42 -3.128 9.034 0.876 1.00 71.41 C ATOM 0 H LEU A 42 -3.915 8.487 4.029 1.00 1.32 H new ATOM 0 HA LEU A 42 -1.895 10.167 2.976 1.00 13.44 H new ATOM 0 HB2 LEU A 42 -4.861 10.699 3.350 1.00 51.22 H new ATOM 0 HB3 LEU A 42 -3.773 11.609 2.320 1.00 51.22 H new ATOM 0 HG LEU A 42 -4.929 8.882 1.948 1.00 73.23 H new ATOM 0 HD11 LEU A 42 -5.448 9.702 -0.320 1.00 73.41 H new ATOM 0 HD12 LEU A 42 -6.155 10.704 0.970 1.00 73.41 H new ATOM 0 HD13 LEU A 42 -4.706 11.264 0.100 1.00 73.41 H new ATOM 0 HD21 LEU A 42 -3.453 8.404 0.048 1.00 71.41 H new ATOM 0 HD22 LEU A 42 -2.451 9.802 0.503 1.00 71.41 H new ATOM 0 HD23 LEU A 42 -2.611 8.422 1.616 1.00 71.41 H new ATOM 698 N LYS A 43 -1.679 12.100 4.513 1.00 71.21 N ATOM 699 CA LYS A 43 -1.417 13.159 5.481 1.00 25.01 C ATOM 700 C LYS A 43 -2.610 14.100 5.533 1.00 70.21 C ATOM 701 O LYS A 43 -3.021 14.562 6.604 1.00 2.51 O ATOM 702 CB LYS A 43 -0.196 13.965 5.051 1.00 2.10 C ATOM 703 CG LYS A 43 1.057 13.188 4.912 1.00 22.23 C ATOM 704 CD LYS A 43 2.135 14.088 4.391 1.00 41.23 C ATOM 705 CE LYS A 43 3.446 13.415 4.462 1.00 71.03 C ATOM 706 NZ LYS A 43 4.528 14.259 3.922 1.00 5.31 N ATOM 0 H LYS A 43 -1.081 12.133 3.688 1.00 71.21 H new ATOM 0 HA LYS A 43 -1.242 12.708 6.458 1.00 25.01 H new ATOM 0 HB2 LYS A 43 -0.415 14.444 4.097 1.00 2.10 H new ATOM 0 HB3 LYS A 43 -0.032 14.761 5.777 1.00 2.10 H new ATOM 0 HG2 LYS A 43 1.349 12.770 5.875 1.00 22.23 H new ATOM 0 HG3 LYS A 43 0.906 12.349 4.233 1.00 22.23 H new ATOM 0 HD2 LYS A 43 1.918 14.367 3.360 1.00 41.23 H new ATOM 0 HD3 LYS A 43 2.160 15.010 4.972 1.00 41.23 H new ATOM 0 HE2 LYS A 43 3.667 13.160 5.498 1.00 71.03 H new ATOM 0 HE3 LYS A 43 3.404 12.479 3.905 1.00 71.03 H new ATOM 0 HZ1 LYS A 43 5.432 13.750 3.990 1.00 5.31 H new ATOM 0 HZ2 LYS A 43 4.330 14.482 2.926 1.00 5.31 H new ATOM 0 HZ3 LYS A 43 4.586 15.142 4.469 1.00 5.31 H new ATOM 720 N ASN A 44 -3.158 14.370 4.362 1.00 51.44 N ATOM 721 CA ASN A 44 -4.269 15.288 4.235 1.00 11.53 C ATOM 722 C ASN A 44 -5.596 14.602 4.425 1.00 63.22 C ATOM 723 O ASN A 44 -6.419 15.065 5.198 1.00 44.21 O ATOM 724 CB ASN A 44 -4.240 16.030 2.897 1.00 12.41 C ATOM 725 CG ASN A 44 -3.044 16.949 2.751 1.00 43.23 C ATOM 726 OD1 ASN A 44 -3.090 18.111 3.150 1.00 35.54 O ATOM 727 ND2 ASN A 44 -1.977 16.454 2.178 1.00 14.42 N ATOM 0 H ASN A 44 -2.847 13.962 3.481 1.00 51.44 H new ATOM 0 HA ASN A 44 -4.155 16.020 5.034 1.00 11.53 H new ATOM 0 HB2 ASN A 44 -4.232 15.303 2.085 1.00 12.41 H new ATOM 0 HB3 ASN A 44 -5.154 16.614 2.793 1.00 12.41 H new ATOM 0 HD21 ASN A 44 -1.150 17.037 2.051 1.00 14.42 H new ATOM 0 HD22 ASN A 44 -1.973 15.485 1.858 1.00 14.42 H new ATOM 734 N ASN A 45 -5.814 13.492 3.729 1.00 14.15 N ATOM 735 CA ASN A 45 -7.099 12.794 3.848 1.00 53.12 C ATOM 736 C ASN A 45 -7.204 12.135 5.211 1.00 12.31 C ATOM 737 O ASN A 45 -8.278 12.084 5.803 1.00 4.33 O ATOM 738 CB ASN A 45 -7.278 11.746 2.736 1.00 0.22 C ATOM 739 CG ASN A 45 -8.701 11.174 2.616 1.00 64.20 C ATOM 740 OD1 ASN A 45 -9.458 11.127 3.560 1.00 55.01 O ATOM 741 ND2 ASN A 45 -9.045 10.706 1.446 1.00 60.23 N ATOM 0 H ASN A 45 -5.143 13.062 3.093 1.00 14.15 H new ATOM 0 HA ASN A 45 -7.895 13.531 3.739 1.00 53.12 H new ATOM 0 HB2 ASN A 45 -7.000 12.196 1.783 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -6.584 10.924 2.915 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -9.967 10.291 1.314 1.00 60.23 H new ATOM 0 HD22 ASN A 45 -8.391 10.756 0.664 1.00 60.23 H new ATOM 748 N ASN A 46 -6.055 11.659 5.720 1.00 53.02 N ATOM 749 CA ASN A 46 -5.963 10.919 7.003 1.00 50.03 C ATOM 750 C ASN A 46 -6.562 9.513 6.840 1.00 61.15 C ATOM 751 O ASN A 46 -6.702 8.742 7.783 1.00 14.25 O ATOM 752 CB ASN A 46 -6.559 11.750 8.198 1.00 10.50 C ATOM 753 CG ASN A 46 -6.519 11.056 9.563 1.00 61.31 C ATOM 754 OD1 ASN A 46 -5.525 11.143 10.297 1.00 2.34 O ATOM 755 ND2 ASN A 46 -7.604 10.408 9.932 1.00 51.03 N ATOM 0 H ASN A 46 -5.155 11.774 5.254 1.00 53.02 H new ATOM 0 HA ASN A 46 -4.915 10.777 7.269 1.00 50.03 H new ATOM 0 HB2 ASN A 46 -6.014 12.691 8.271 1.00 10.50 H new ATOM 0 HB3 ASN A 46 -7.595 11.998 7.965 1.00 10.50 H new ATOM 0 HD21 ASN A 46 -7.643 9.959 10.847 1.00 51.03 H new ATOM 0 HD22 ASN A 46 -8.405 10.355 9.303 1.00 51.03 H new ATOM 762 N ARG A 47 -6.843 9.164 5.599 1.00 13.44 N ATOM 763 CA ARG A 47 -7.350 7.851 5.291 1.00 13.41 C ATOM 764 C ARG A 47 -6.271 6.992 4.759 1.00 71.42 C ATOM 765 O ARG A 47 -5.323 7.474 4.139 1.00 71.12 O ATOM 766 CB ARG A 47 -8.495 7.849 4.302 1.00 21.45 C ATOM 767 CG ARG A 47 -9.826 8.333 4.821 1.00 33.34 C ATOM 768 CD ARG A 47 -10.859 8.148 3.734 1.00 63.03 C ATOM 769 NE ARG A 47 -12.203 8.541 4.123 1.00 21.11 N ATOM 770 CZ ARG A 47 -13.278 8.351 3.350 1.00 22.54 C ATOM 771 NH1 ARG A 47 -13.156 7.739 2.170 1.00 73.01 N ATOM 772 NH2 ARG A 47 -14.462 8.747 3.761 1.00 2.12 N ATOM 0 H ARG A 47 -6.727 9.776 4.791 1.00 13.44 H new ATOM 0 HA ARG A 47 -7.734 7.463 6.235 1.00 13.41 H new ATOM 0 HB2 ARG A 47 -8.213 8.469 3.451 1.00 21.45 H new ATOM 0 HB3 ARG A 47 -8.622 6.833 3.928 1.00 21.45 H new ATOM 0 HG2 ARG A 47 -10.111 7.775 5.713 1.00 33.34 H new ATOM 0 HG3 ARG A 47 -9.762 9.383 5.108 1.00 33.34 H new ATOM 0 HD2 ARG A 47 -10.560 8.728 2.861 1.00 63.03 H new ATOM 0 HD3 ARG A 47 -10.871 7.101 3.432 1.00 63.03 H new ATOM 0 HE ARG A 47 -12.333 8.985 5.032 1.00 21.11 H new ATOM 0 HH11 ARG A 47 -12.241 7.415 1.856 1.00 73.01 H new ATOM 0 HH12 ARG A 47 -13.977 7.595 1.583 1.00 73.01 H new ATOM 0 HH21 ARG A 47 -14.561 9.199 4.670 1.00 2.12 H new ATOM 0 HH22 ARG A 47 -15.281 8.602 3.171 1.00 2.12 H new ATOM 786 N GLN A 48 -6.413 5.752 5.004 1.00 34.32 N ATOM 787 CA GLN A 48 -5.526 4.764 4.583 1.00 14.45 C ATOM 788 C GLN A 48 -6.099 4.013 3.410 1.00 71.32 C ATOM 789 O GLN A 48 -7.204 3.457 3.480 1.00 14.42 O ATOM 790 CB GLN A 48 -5.253 3.858 5.755 1.00 3.43 C ATOM 791 CG GLN A 48 -4.612 2.534 5.420 1.00 12.13 C ATOM 792 CD GLN A 48 -4.275 1.727 6.668 1.00 5.25 C ATOM 793 OE1 GLN A 48 -3.245 0.934 6.610 1.00 1.23 O flip ATOM 794 NE2 GLN A 48 -4.957 1.829 7.689 1.00 32.12 N flip ATOM 0 H GLN A 48 -7.201 5.384 5.536 1.00 34.32 H new ATOM 0 HA GLN A 48 -4.587 5.203 4.245 1.00 14.45 H new ATOM 0 HB2 GLN A 48 -4.608 4.386 6.457 1.00 3.43 H new ATOM 0 HB3 GLN A 48 -6.194 3.666 6.270 1.00 3.43 H new ATOM 0 HG2 GLN A 48 -5.285 1.956 4.786 1.00 12.13 H new ATOM 0 HG3 GLN A 48 -3.703 2.707 4.845 1.00 12.13 H new ATOM 0 HE21 GLN A 48 -5.759 2.459 7.706 1.00 32.12 H new ATOM 0 HE22 GLN A 48 -4.719 1.284 8.518 1.00 32.12 H new ATOM 803 N VAL A 49 -5.373 4.042 2.341 1.00 24.02 N ATOM 804 CA VAL A 49 -5.711 3.337 1.144 1.00 41.34 C ATOM 805 C VAL A 49 -4.542 2.471 0.749 1.00 72.51 C ATOM 806 O VAL A 49 -3.395 2.839 0.956 1.00 53.34 O ATOM 807 CB VAL A 49 -6.091 4.300 -0.035 1.00 64.04 C ATOM 808 CG1 VAL A 49 -7.355 5.079 0.292 1.00 74.35 C ATOM 809 CG2 VAL A 49 -4.950 5.267 -0.360 1.00 63.14 C ATOM 0 H VAL A 49 -4.504 4.571 2.272 1.00 24.02 H new ATOM 0 HA VAL A 49 -6.592 2.728 1.346 1.00 41.34 H new ATOM 0 HB VAL A 49 -6.273 3.682 -0.914 1.00 64.04 H new ATOM 0 HG11 VAL A 49 -7.600 5.740 -0.539 1.00 74.35 H new ATOM 0 HG12 VAL A 49 -8.178 4.384 0.457 1.00 74.35 H new ATOM 0 HG13 VAL A 49 -7.194 5.672 1.192 1.00 74.35 H new ATOM 0 HG21 VAL A 49 -5.248 5.919 -1.181 1.00 63.14 H new ATOM 0 HG22 VAL A 49 -4.723 5.871 0.519 1.00 63.14 H new ATOM 0 HG23 VAL A 49 -4.065 4.701 -0.649 1.00 63.14 H new ATOM 819 N CYS A 50 -4.823 1.325 0.258 1.00 11.21 N ATOM 820 CA CYS A 50 -3.801 0.429 -0.215 1.00 22.34 C ATOM 821 C CYS A 50 -3.202 0.925 -1.516 1.00 3.43 C ATOM 822 O CYS A 50 -3.912 1.387 -2.390 1.00 21.42 O ATOM 823 CB CYS A 50 -4.346 -0.977 -0.350 1.00 65.43 C ATOM 824 SG CYS A 50 -4.835 -1.717 1.252 1.00 54.42 S ATOM 0 H CYS A 50 -5.773 0.965 0.165 1.00 11.21 H new ATOM 0 HA CYS A 50 -2.998 0.404 0.521 1.00 22.34 H new ATOM 0 HB2 CYS A 50 -5.209 -0.963 -1.015 1.00 65.43 H new ATOM 0 HB3 CYS A 50 -3.592 -1.609 -0.820 1.00 65.43 H new ATOM 829 N ILE A 51 -1.900 0.843 -1.627 1.00 71.33 N ATOM 830 CA ILE A 51 -1.214 1.357 -2.791 1.00 51.41 C ATOM 831 C ILE A 51 -0.912 0.215 -3.735 1.00 51.55 C ATOM 832 O ILE A 51 -0.544 -0.878 -3.294 1.00 13.21 O ATOM 833 CB ILE A 51 0.135 2.010 -2.433 1.00 72.31 C ATOM 834 CG1 ILE A 51 0.020 2.889 -1.195 1.00 31.33 C ATOM 835 CG2 ILE A 51 0.607 2.849 -3.613 1.00 3.21 C ATOM 836 CD1 ILE A 51 1.346 3.498 -0.767 1.00 40.11 C ATOM 0 H ILE A 51 -1.290 0.424 -0.925 1.00 71.33 H new ATOM 0 HA ILE A 51 -1.868 2.105 -3.241 1.00 51.41 H new ATOM 0 HB ILE A 51 0.854 1.220 -2.215 1.00 72.31 H new ATOM 0 HG12 ILE A 51 -0.694 3.689 -1.391 1.00 31.33 H new ATOM 0 HG13 ILE A 51 -0.383 2.297 -0.373 1.00 31.33 H new ATOM 0 HG21 ILE A 51 1.561 3.315 -3.369 1.00 3.21 H new ATOM 0 HG22 ILE A 51 0.728 2.210 -4.488 1.00 3.21 H new ATOM 0 HG23 ILE A 51 -0.130 3.622 -3.828 1.00 3.21 H new ATOM 0 HD11 ILE A 51 1.195 4.113 0.120 1.00 40.11 H new ATOM 0 HD12 ILE A 51 2.056 2.702 -0.540 1.00 40.11 H new ATOM 0 HD13 ILE A 51 1.740 4.116 -1.574 1.00 40.11 H new ATOM 848 N ASP A 52 -1.067 0.466 -5.007 1.00 63.34 N ATOM 849 CA ASP A 52 -0.763 -0.514 -6.030 1.00 14.30 C ATOM 850 C ASP A 52 0.759 -0.610 -6.218 1.00 73.32 C ATOM 851 O ASP A 52 1.433 0.416 -6.392 1.00 53.34 O ATOM 852 CB ASP A 52 -1.434 -0.112 -7.335 1.00 31.22 C ATOM 853 CG ASP A 52 -1.168 -1.075 -8.450 1.00 73.12 C ATOM 854 OD1 ASP A 52 -1.900 -2.077 -8.573 1.00 32.31 O ATOM 855 OD2 ASP A 52 -0.245 -0.835 -9.222 1.00 74.34 O ATOM 0 H ASP A 52 -1.408 1.356 -5.370 1.00 63.34 H new ATOM 0 HA ASP A 52 -1.141 -1.490 -5.725 1.00 14.30 H new ATOM 0 HB2 ASP A 52 -2.510 -0.037 -7.176 1.00 31.22 H new ATOM 0 HB3 ASP A 52 -1.085 0.879 -7.627 1.00 31.22 H new ATOM 860 N PRO A 53 1.323 -1.834 -6.191 1.00 51.22 N ATOM 861 CA PRO A 53 2.779 -2.048 -6.259 1.00 63.50 C ATOM 862 C PRO A 53 3.412 -1.810 -7.635 1.00 74.43 C ATOM 863 O PRO A 53 4.601 -2.100 -7.827 1.00 74.32 O ATOM 864 CB PRO A 53 2.935 -3.509 -5.860 1.00 52.24 C ATOM 865 CG PRO A 53 1.667 -4.143 -6.315 1.00 3.03 C ATOM 866 CD PRO A 53 0.594 -3.116 -6.070 1.00 13.42 C ATOM 0 HA PRO A 53 3.293 -1.331 -5.618 1.00 63.50 H new ATOM 0 HB2 PRO A 53 3.803 -3.963 -6.339 1.00 52.24 H new ATOM 0 HB3 PRO A 53 3.072 -3.617 -4.784 1.00 52.24 H new ATOM 0 HG2 PRO A 53 1.719 -4.412 -7.370 1.00 3.03 H new ATOM 0 HG3 PRO A 53 1.466 -5.060 -5.762 1.00 3.03 H new ATOM 0 HD2 PRO A 53 -0.211 -3.192 -6.800 1.00 13.42 H new ATOM 0 HD3 PRO A 53 0.143 -3.232 -5.085 1.00 13.42 H new ATOM 874 N LYS A 54 2.655 -1.309 -8.595 1.00 40.13 N ATOM 875 CA LYS A 54 3.239 -1.018 -9.891 1.00 50.21 C ATOM 876 C LYS A 54 3.896 0.356 -9.869 1.00 21.34 C ATOM 877 O LYS A 54 4.740 0.661 -10.720 1.00 11.23 O ATOM 878 CB LYS A 54 2.203 -1.095 -11.025 1.00 11.13 C ATOM 879 CG LYS A 54 1.515 -2.453 -11.188 1.00 62.00 C ATOM 880 CD LYS A 54 2.494 -3.558 -11.530 1.00 54.01 C ATOM 881 CE LYS A 54 1.781 -4.894 -11.663 1.00 72.54 C ATOM 882 NZ LYS A 54 2.713 -5.988 -12.014 1.00 12.14 N ATOM 0 H LYS A 54 1.661 -1.100 -8.507 1.00 40.13 H new ATOM 0 HA LYS A 54 3.993 -1.780 -10.090 1.00 50.21 H new ATOM 0 HB2 LYS A 54 1.439 -0.337 -10.850 1.00 11.13 H new ATOM 0 HB3 LYS A 54 2.695 -0.840 -11.963 1.00 11.13 H new ATOM 0 HG2 LYS A 54 0.993 -2.706 -10.265 1.00 62.00 H new ATOM 0 HG3 LYS A 54 0.761 -2.384 -11.972 1.00 62.00 H new ATOM 0 HD2 LYS A 54 3.006 -3.320 -12.463 1.00 54.01 H new ATOM 0 HD3 LYS A 54 3.258 -3.625 -10.755 1.00 54.01 H new ATOM 0 HE2 LYS A 54 1.280 -5.132 -10.725 1.00 72.54 H new ATOM 0 HE3 LYS A 54 1.008 -4.818 -12.427 1.00 72.54 H new ATOM 0 HZ1 LYS A 54 2.186 -6.881 -12.095 1.00 12.14 H new ATOM 0 HZ2 LYS A 54 3.173 -5.774 -12.922 1.00 12.14 H new ATOM 0 HZ3 LYS A 54 3.436 -6.079 -11.272 1.00 12.14 H new ATOM 896 N LEU A 55 3.518 1.183 -8.885 1.00 33.02 N ATOM 897 CA LEU A 55 4.079 2.524 -8.758 1.00 32.44 C ATOM 898 C LEU A 55 5.576 2.465 -8.471 1.00 21.25 C ATOM 899 O LEU A 55 6.023 1.833 -7.501 1.00 13.14 O ATOM 900 CB LEU A 55 3.365 3.337 -7.675 1.00 70.13 C ATOM 901 CG LEU A 55 1.867 3.567 -7.873 1.00 55.25 C ATOM 902 CD1 LEU A 55 1.309 4.418 -6.748 1.00 41.43 C ATOM 903 CD2 LEU A 55 1.594 4.217 -9.213 1.00 64.42 C ATOM 0 H LEU A 55 2.829 0.944 -8.172 1.00 33.02 H new ATOM 0 HA LEU A 55 3.925 3.028 -9.712 1.00 32.44 H new ATOM 0 HB2 LEU A 55 3.510 2.834 -6.719 1.00 70.13 H new ATOM 0 HB3 LEU A 55 3.853 4.309 -7.600 1.00 70.13 H new ATOM 0 HG LEU A 55 1.368 2.598 -7.857 1.00 55.25 H new ATOM 0 HD11 LEU A 55 0.241 4.573 -6.904 1.00 41.43 H new ATOM 0 HD12 LEU A 55 1.467 3.912 -5.796 1.00 41.43 H new ATOM 0 HD13 LEU A 55 1.817 5.382 -6.735 1.00 41.43 H new ATOM 0 HD21 LEU A 55 0.521 4.371 -9.331 1.00 64.42 H new ATOM 0 HD22 LEU A 55 2.106 5.178 -9.262 1.00 64.42 H new ATOM 0 HD23 LEU A 55 1.958 3.571 -10.012 1.00 64.42 H new ATOM 915 N LYS A 56 6.339 3.139 -9.304 1.00 64.41 N ATOM 916 CA LYS A 56 7.777 3.140 -9.213 1.00 24.30 C ATOM 917 C LYS A 56 8.264 3.740 -7.909 1.00 15.20 C ATOM 918 O LYS A 56 9.209 3.223 -7.307 1.00 54.13 O ATOM 919 CB LYS A 56 8.399 3.897 -10.386 1.00 34.31 C ATOM 920 CG LYS A 56 9.930 3.943 -10.355 1.00 3.21 C ATOM 921 CD LYS A 56 10.562 2.560 -10.495 1.00 42.25 C ATOM 922 CE LYS A 56 10.218 1.909 -11.828 1.00 65.21 C ATOM 923 NZ LYS A 56 10.838 0.578 -11.962 1.00 5.53 N ATOM 0 H LYS A 56 5.972 3.706 -10.069 1.00 64.41 H new ATOM 0 HA LYS A 56 8.093 2.097 -9.248 1.00 24.30 H new ATOM 0 HB2 LYS A 56 8.078 3.430 -11.317 1.00 34.31 H new ATOM 0 HB3 LYS A 56 8.015 4.917 -10.392 1.00 34.31 H new ATOM 0 HG2 LYS A 56 10.287 4.585 -11.161 1.00 3.21 H new ATOM 0 HG3 LYS A 56 10.257 4.395 -9.419 1.00 3.21 H new ATOM 0 HD2 LYS A 56 11.645 2.645 -10.401 1.00 42.25 H new ATOM 0 HD3 LYS A 56 10.221 1.921 -9.680 1.00 42.25 H new ATOM 0 HE2 LYS A 56 9.136 1.817 -11.919 1.00 65.21 H new ATOM 0 HE3 LYS A 56 10.553 2.550 -12.643 1.00 65.21 H new ATOM 0 HZ1 LYS A 56 10.755 0.254 -12.947 1.00 5.53 H new ATOM 0 HZ2 LYS A 56 11.843 0.635 -11.700 1.00 5.53 H new ATOM 0 HZ3 LYS A 56 10.354 -0.095 -11.334 1.00 5.53 H new ATOM 937 N TRP A 57 7.615 4.806 -7.449 1.00 3.23 N ATOM 938 CA TRP A 57 8.075 5.482 -6.244 1.00 14.34 C ATOM 939 C TRP A 57 7.967 4.568 -5.027 1.00 14.12 C ATOM 940 O TRP A 57 8.668 4.749 -4.043 1.00 42.24 O ATOM 941 CB TRP A 57 7.366 6.852 -5.993 1.00 71.43 C ATOM 942 CG TRP A 57 5.892 6.814 -5.602 1.00 63.22 C ATOM 943 CD1 TRP A 57 4.806 7.096 -6.387 1.00 1.10 C ATOM 944 CD2 TRP A 57 5.368 6.500 -4.306 1.00 50.30 C ATOM 945 NE1 TRP A 57 3.649 6.979 -5.642 1.00 15.45 N ATOM 946 CE2 TRP A 57 3.974 6.608 -4.371 1.00 42.32 C ATOM 947 CE3 TRP A 57 5.953 6.134 -3.102 1.00 60.13 C ATOM 948 CZ2 TRP A 57 3.162 6.362 -3.263 1.00 30.32 C ATOM 949 CZ3 TRP A 57 5.155 5.888 -2.024 1.00 14.25 C ATOM 950 CH2 TRP A 57 3.773 6.006 -2.109 1.00 53.33 C ATOM 0 H TRP A 57 6.786 5.212 -7.883 1.00 3.23 H new ATOM 0 HA TRP A 57 9.127 5.716 -6.408 1.00 14.34 H new ATOM 0 HB2 TRP A 57 7.910 7.375 -5.207 1.00 71.43 H new ATOM 0 HB3 TRP A 57 7.460 7.452 -6.898 1.00 71.43 H new ATOM 0 HD1 TRP A 57 4.848 7.369 -7.431 1.00 1.10 H new ATOM 0 HE1 TRP A 57 2.703 7.144 -5.987 1.00 15.45 H new ATOM 0 HE3 TRP A 57 7.026 6.045 -3.020 1.00 60.13 H new ATOM 0 HZ2 TRP A 57 2.088 6.452 -3.324 1.00 30.32 H new ATOM 0 HZ3 TRP A 57 5.605 5.596 -1.087 1.00 14.25 H new ATOM 0 HH2 TRP A 57 3.172 5.809 -1.233 1.00 53.33 H new ATOM 961 N ILE A 58 7.086 3.592 -5.116 1.00 63.11 N ATOM 962 CA ILE A 58 6.885 2.626 -4.054 1.00 24.40 C ATOM 963 C ILE A 58 8.074 1.701 -3.961 1.00 51.20 C ATOM 964 O ILE A 58 8.708 1.588 -2.911 1.00 4.11 O ATOM 965 CB ILE A 58 5.608 1.776 -4.374 1.00 22.25 C ATOM 966 CG1 ILE A 58 4.338 2.535 -4.055 1.00 65.30 C ATOM 967 CG2 ILE A 58 5.615 0.418 -3.695 1.00 12.03 C ATOM 968 CD1 ILE A 58 4.172 2.766 -2.596 1.00 64.42 C ATOM 0 H ILE A 58 6.488 3.446 -5.929 1.00 63.11 H new ATOM 0 HA ILE A 58 6.764 3.154 -3.108 1.00 24.40 H new ATOM 0 HB ILE A 58 5.632 1.590 -5.448 1.00 22.25 H new ATOM 0 HG12 ILE A 58 4.350 3.494 -4.574 1.00 65.30 H new ATOM 0 HG13 ILE A 58 3.480 1.979 -4.433 1.00 65.30 H new ATOM 0 HG21 ILE A 58 4.705 -0.123 -3.955 1.00 12.03 H new ATOM 0 HG22 ILE A 58 6.483 -0.151 -4.028 1.00 12.03 H new ATOM 0 HG23 ILE A 58 5.661 0.552 -2.614 1.00 12.03 H new ATOM 0 HD11 ILE A 58 3.247 3.314 -2.417 1.00 64.42 H new ATOM 0 HD12 ILE A 58 4.132 1.808 -2.078 1.00 64.42 H new ATOM 0 HD13 ILE A 58 5.015 3.346 -2.221 1.00 64.42 H new ATOM 980 N GLN A 59 8.417 1.107 -5.065 1.00 62.33 N ATOM 981 CA GLN A 59 9.474 0.148 -5.086 1.00 42.12 C ATOM 982 C GLN A 59 10.831 0.800 -4.952 1.00 30.43 C ATOM 983 O GLN A 59 11.737 0.254 -4.336 1.00 4.31 O ATOM 984 CB GLN A 59 9.378 -0.747 -6.303 1.00 43.03 C ATOM 985 CG GLN A 59 9.404 -0.037 -7.633 1.00 13.44 C ATOM 986 CD GLN A 59 9.241 -0.997 -8.778 1.00 34.50 C ATOM 987 OE1 GLN A 59 9.761 -0.772 -9.869 1.00 14.31 O ATOM 988 NE2 GLN A 59 8.521 -2.069 -8.545 1.00 2.24 N ATOM 0 H GLN A 59 7.974 1.274 -5.969 1.00 62.33 H new ATOM 0 HA GLN A 59 9.357 -0.491 -4.211 1.00 42.12 H new ATOM 0 HB2 GLN A 59 10.202 -1.459 -6.275 1.00 43.03 H new ATOM 0 HB3 GLN A 59 8.456 -1.324 -6.237 1.00 43.03 H new ATOM 0 HG2 GLN A 59 8.607 0.706 -7.665 1.00 13.44 H new ATOM 0 HG3 GLN A 59 10.346 0.501 -7.740 1.00 13.44 H new ATOM 0 HE21 GLN A 59 8.108 -2.216 -7.624 1.00 2.24 H new ATOM 0 HE22 GLN A 59 8.375 -2.756 -9.285 1.00 2.24 H new ATOM 997 N GLU A 60 10.963 1.986 -5.498 1.00 54.02 N ATOM 998 CA GLU A 60 12.223 2.699 -5.449 1.00 11.14 C ATOM 999 C GLU A 60 12.474 3.318 -4.059 1.00 21.22 C ATOM 1000 O GLU A 60 13.581 3.744 -3.735 1.00 41.31 O ATOM 1001 CB GLU A 60 12.283 3.734 -6.587 1.00 1.41 C ATOM 1002 CG GLU A 60 13.558 4.539 -6.682 1.00 44.32 C ATOM 1003 CD GLU A 60 13.506 5.568 -7.782 1.00 33.11 C ATOM 1004 OE1 GLU A 60 12.906 6.641 -7.571 1.00 63.31 O ATOM 1005 OE2 GLU A 60 14.060 5.331 -8.877 1.00 12.05 O ATOM 0 H GLU A 60 10.214 2.480 -5.983 1.00 54.02 H new ATOM 0 HA GLU A 60 13.037 1.991 -5.605 1.00 11.14 H new ATOM 0 HB2 GLU A 60 12.134 3.214 -7.533 1.00 1.41 H new ATOM 0 HB3 GLU A 60 11.448 4.425 -6.468 1.00 1.41 H new ATOM 0 HG2 GLU A 60 13.742 5.037 -5.730 1.00 44.32 H new ATOM 0 HG3 GLU A 60 14.397 3.866 -6.857 1.00 44.32 H new ATOM 1012 N TYR A 61 11.473 3.321 -3.242 1.00 61.50 N ATOM 1013 CA TYR A 61 11.607 3.865 -1.925 1.00 3.41 C ATOM 1014 C TYR A 61 11.528 2.779 -0.889 1.00 61.13 C ATOM 1015 O TYR A 61 12.491 2.497 -0.191 1.00 22.55 O ATOM 1016 CB TYR A 61 10.554 4.942 -1.687 1.00 74.32 C ATOM 1017 CG TYR A 61 10.477 5.468 -0.277 1.00 11.10 C ATOM 1018 CD1 TYR A 61 11.579 6.038 0.345 1.00 74.33 C ATOM 1019 CD2 TYR A 61 9.289 5.383 0.431 1.00 61.34 C ATOM 1020 CE1 TYR A 61 11.498 6.514 1.644 1.00 44.40 C ATOM 1021 CE2 TYR A 61 9.201 5.856 1.728 1.00 45.33 C ATOM 1022 CZ TYR A 61 10.303 6.420 2.329 1.00 20.44 C ATOM 1023 OH TYR A 61 10.206 6.884 3.628 1.00 50.10 O ATOM 0 H TYR A 61 10.548 2.952 -3.462 1.00 61.50 H new ATOM 0 HA TYR A 61 12.589 4.330 -1.837 1.00 3.41 H new ATOM 0 HB2 TYR A 61 10.754 5.777 -2.358 1.00 74.32 H new ATOM 0 HB3 TYR A 61 9.579 4.540 -1.961 1.00 74.32 H new ATOM 0 HD1 TYR A 61 12.514 6.112 -0.191 1.00 74.33 H new ATOM 0 HD2 TYR A 61 8.421 4.942 -0.036 1.00 61.34 H new ATOM 0 HE1 TYR A 61 12.363 6.955 2.117 1.00 44.40 H new ATOM 0 HE2 TYR A 61 8.269 5.783 2.268 1.00 45.33 H new ATOM 0 HH TYR A 61 9.295 6.741 3.959 1.00 50.10 H new ATOM 1033 N LEU A 62 10.417 2.126 -0.836 1.00 44.51 N ATOM 1034 CA LEU A 62 10.171 1.159 0.191 1.00 53.11 C ATOM 1035 C LEU A 62 10.983 -0.091 -0.056 1.00 64.12 C ATOM 1036 O LEU A 62 11.360 -0.797 0.867 1.00 3.43 O ATOM 1037 CB LEU A 62 8.688 0.844 0.235 1.00 50.44 C ATOM 1038 CG LEU A 62 8.049 0.733 1.632 1.00 14.00 C ATOM 1039 CD1 LEU A 62 8.587 -0.458 2.417 1.00 71.34 C ATOM 1040 CD2 LEU A 62 8.288 2.014 2.401 1.00 13.54 C ATOM 0 H LEU A 62 9.652 2.244 -1.500 1.00 44.51 H new ATOM 0 HA LEU A 62 10.475 1.566 1.155 1.00 53.11 H new ATOM 0 HB2 LEU A 62 8.159 1.617 -0.322 1.00 50.44 H new ATOM 0 HB3 LEU A 62 8.523 -0.096 -0.291 1.00 50.44 H new ATOM 0 HG LEU A 62 6.979 0.574 1.498 1.00 14.00 H new ATOM 0 HD11 LEU A 62 8.108 -0.496 3.395 1.00 71.34 H new ATOM 0 HD12 LEU A 62 8.374 -1.378 1.873 1.00 71.34 H new ATOM 0 HD13 LEU A 62 9.664 -0.353 2.545 1.00 71.34 H new ATOM 0 HD21 LEU A 62 7.836 1.935 3.389 1.00 13.54 H new ATOM 0 HD22 LEU A 62 9.360 2.181 2.505 1.00 13.54 H new ATOM 0 HD23 LEU A 62 7.841 2.850 1.863 1.00 13.54 H new ATOM 1052 N GLU A 63 11.322 -0.325 -1.278 1.00 23.33 N ATOM 1053 CA GLU A 63 12.018 -1.544 -1.585 1.00 25.31 C ATOM 1054 C GLU A 63 13.465 -1.292 -1.832 1.00 14.34 C ATOM 1055 O GLU A 63 14.291 -2.163 -1.634 1.00 53.23 O ATOM 1056 CB GLU A 63 11.386 -2.337 -2.726 1.00 23.11 C ATOM 1057 CG GLU A 63 9.983 -2.838 -2.438 1.00 65.00 C ATOM 1058 CD GLU A 63 9.490 -3.783 -3.504 1.00 63.45 C ATOM 1059 OE1 GLU A 63 8.975 -3.318 -4.535 1.00 12.45 O ATOM 1060 OE2 GLU A 63 9.631 -5.010 -3.328 1.00 72.25 O ATOM 0 H GLU A 63 11.138 0.291 -2.070 1.00 23.33 H new ATOM 0 HA GLU A 63 11.926 -2.174 -0.700 1.00 25.31 H new ATOM 0 HB2 GLU A 63 11.359 -1.710 -3.617 1.00 23.11 H new ATOM 0 HB3 GLU A 63 12.024 -3.191 -2.956 1.00 23.11 H new ATOM 0 HG2 GLU A 63 9.970 -3.343 -1.472 1.00 65.00 H new ATOM 0 HG3 GLU A 63 9.303 -1.989 -2.364 1.00 65.00 H new ATOM 1067 N LYS A 64 13.791 -0.100 -2.245 1.00 41.13 N ATOM 1068 CA LYS A 64 15.155 0.184 -2.580 1.00 63.41 C ATOM 1069 C LYS A 64 15.864 0.882 -1.423 1.00 3.03 C ATOM 1070 O LYS A 64 17.073 0.756 -1.261 1.00 23.14 O ATOM 1071 CB LYS A 64 15.227 1.027 -3.852 1.00 30.24 C ATOM 1072 CG LYS A 64 16.618 1.192 -4.423 1.00 14.32 C ATOM 1073 CD LYS A 64 17.167 -0.142 -4.886 1.00 71.22 C ATOM 1074 CE LYS A 64 18.546 -0.007 -5.483 1.00 21.43 C ATOM 1075 NZ LYS A 64 19.018 -1.292 -6.013 1.00 70.43 N ATOM 0 H LYS A 64 13.142 0.679 -2.356 1.00 41.13 H new ATOM 0 HA LYS A 64 15.667 -0.760 -2.765 1.00 63.41 H new ATOM 0 HB2 LYS A 64 14.590 0.572 -4.610 1.00 30.24 H new ATOM 0 HB3 LYS A 64 14.816 2.014 -3.641 1.00 30.24 H new ATOM 0 HG2 LYS A 64 16.593 1.891 -5.259 1.00 14.32 H new ATOM 0 HG3 LYS A 64 17.278 1.621 -3.669 1.00 14.32 H new ATOM 0 HD2 LYS A 64 17.202 -0.832 -4.043 1.00 71.22 H new ATOM 0 HD3 LYS A 64 16.493 -0.575 -5.625 1.00 71.22 H new ATOM 0 HE2 LYS A 64 18.530 0.736 -6.281 1.00 21.43 H new ATOM 0 HE3 LYS A 64 19.241 0.355 -4.725 1.00 21.43 H new ATOM 0 HZ1 LYS A 64 19.968 -1.172 -6.418 1.00 70.43 H new ATOM 0 HZ2 LYS A 64 19.055 -1.992 -5.245 1.00 70.43 H new ATOM 0 HZ3 LYS A 64 18.366 -1.623 -6.752 1.00 70.43 H new ATOM 1089 N ALA A 65 15.117 1.603 -0.617 1.00 13.43 N ATOM 1090 CA ALA A 65 15.726 2.305 0.512 1.00 13.14 C ATOM 1091 C ALA A 65 15.512 1.541 1.807 1.00 54.32 C ATOM 1092 O ALA A 65 16.425 1.406 2.619 1.00 61.20 O ATOM 1093 CB ALA A 65 15.202 3.733 0.631 1.00 1.43 C ATOM 0 H ALA A 65 14.108 1.723 -0.710 1.00 13.43 H new ATOM 0 HA ALA A 65 16.798 2.361 0.323 1.00 13.14 H new ATOM 0 HB1 ALA A 65 15.676 4.225 1.480 1.00 1.43 H new ATOM 0 HB2 ALA A 65 15.433 4.282 -0.282 1.00 1.43 H new ATOM 0 HB3 ALA A 65 14.122 3.713 0.779 1.00 1.43 H new ATOM 1099 N LEU A 66 14.311 1.038 1.996 1.00 74.21 N ATOM 1100 CA LEU A 66 13.995 0.287 3.210 1.00 21.34 C ATOM 1101 C LEU A 66 14.446 -1.168 3.116 1.00 35.11 C ATOM 1102 O LEU A 66 15.005 -1.721 4.070 1.00 60.43 O ATOM 1103 CB LEU A 66 12.498 0.391 3.601 1.00 70.25 C ATOM 1104 CG LEU A 66 11.989 1.747 4.177 1.00 1.21 C ATOM 1105 CD1 LEU A 66 12.714 2.092 5.463 1.00 32.11 C ATOM 1106 CD2 LEU A 66 12.111 2.892 3.177 1.00 51.12 C ATOM 0 H LEU A 66 13.538 1.129 1.336 1.00 74.21 H new ATOM 0 HA LEU A 66 14.565 0.755 4.013 1.00 21.34 H new ATOM 0 HB2 LEU A 66 11.904 0.159 2.717 1.00 70.25 H new ATOM 0 HB3 LEU A 66 12.290 -0.385 4.338 1.00 70.25 H new ATOM 0 HG LEU A 66 10.928 1.617 4.389 1.00 1.21 H new ATOM 0 HD11 LEU A 66 12.342 3.042 5.847 1.00 32.11 H new ATOM 0 HD12 LEU A 66 12.538 1.309 6.201 1.00 32.11 H new ATOM 0 HD13 LEU A 66 13.783 2.173 5.267 1.00 32.11 H new ATOM 0 HD21 LEU A 66 11.742 3.812 3.631 1.00 51.12 H new ATOM 0 HD22 LEU A 66 13.156 3.020 2.896 1.00 51.12 H new ATOM 0 HD23 LEU A 66 11.522 2.664 2.289 1.00 51.12 H new ATOM 1118 N ASN A 67 14.222 -1.791 1.978 1.00 64.30 N ATOM 1119 CA ASN A 67 14.653 -3.174 1.803 1.00 11.11 C ATOM 1120 C ASN A 67 16.070 -3.249 1.299 1.00 72.43 C ATOM 1121 O ASN A 67 16.892 -3.965 1.871 1.00 1.33 O ATOM 1122 CB ASN A 67 13.696 -3.990 0.926 1.00 51.12 C ATOM 1123 CG ASN A 67 12.395 -4.351 1.630 1.00 43.42 C ATOM 1124 OD1 ASN A 67 12.297 -5.397 2.273 1.00 43.43 O ATOM 1125 ND2 ASN A 67 11.393 -3.510 1.528 1.00 55.32 N ATOM 0 H ASN A 67 13.754 -1.378 1.171 1.00 64.30 H new ATOM 0 HA ASN A 67 14.626 -3.633 2.791 1.00 11.11 H new ATOM 0 HB2 ASN A 67 13.468 -3.423 0.024 1.00 51.12 H new ATOM 0 HB3 ASN A 67 14.196 -4.905 0.609 1.00 51.12 H new ATOM 0 HD21 ASN A 67 10.506 -3.716 1.988 1.00 55.32 H new ATOM 0 HD22 ASN A 67 11.501 -2.651 0.989 1.00 55.32 H new ATOM 1132 N LYS A 68 16.341 -2.502 0.236 1.00 42.13 N ATOM 1133 CA LYS A 68 17.661 -2.384 -0.366 1.00 11.54 C ATOM 1134 C LYS A 68 18.144 -3.749 -0.876 1.00 51.32 C ATOM 1135 O LYS A 68 18.926 -4.421 -0.183 1.00 37.71 O ATOM 1136 CB LYS A 68 18.657 -1.763 0.639 1.00 11.34 C ATOM 1137 CG LYS A 68 20.027 -1.453 0.071 1.00 1.54 C ATOM 1138 CD LYS A 68 20.949 -0.916 1.151 1.00 51.44 C ATOM 1139 CE LYS A 68 22.310 -0.554 0.592 1.00 2.02 C ATOM 1140 NZ LYS A 68 23.227 -0.093 1.654 1.00 41.10 N ATOM 1141 OXT LYS A 68 17.710 -4.162 -1.973 1.00 37.71 O ATOM 0 H LYS A 68 15.631 -1.948 -0.242 1.00 42.13 H new ATOM 0 HA LYS A 68 17.600 -1.716 -1.225 1.00 11.54 H new ATOM 0 HB2 LYS A 68 18.226 -0.842 1.033 1.00 11.34 H new ATOM 0 HB3 LYS A 68 18.775 -2.446 1.481 1.00 11.34 H new ATOM 0 HG2 LYS A 68 20.457 -2.354 -0.366 1.00 1.54 H new ATOM 0 HG3 LYS A 68 19.936 -0.722 -0.732 1.00 1.54 H new ATOM 0 HD2 LYS A 68 20.498 -0.037 1.611 1.00 51.44 H new ATOM 0 HD3 LYS A 68 21.064 -1.663 1.936 1.00 51.44 H new ATOM 0 HE2 LYS A 68 22.740 -1.420 0.089 1.00 2.02 H new ATOM 0 HE3 LYS A 68 22.200 0.228 -0.159 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 24.149 0.146 1.237 1.00 41.10 H new ATOM 0 HZ2 LYS A 68 22.827 0.748 2.117 1.00 41.10 H new ATOM 0 HZ3 LYS A 68 23.351 -0.849 2.358 1.00 41.10 H new TER 1155 LYS A 68