USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 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 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -8.53! C(o=-8.5!,f=-6.4!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -1.18 K(o=-0.81,f=-3.2) USER MOD Set 2.2: A 48 GLN : amide:sc= 0.372 X(o=-0.81,f=-1.2) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 46 ASN : amide:sc= 0.859 K(o=2.1,f=-4.5) USER MOD Set 4.1: A 4 SER OG : rot 92:sc= 1.09 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 1.06 USER MOD Single : A 1 LYS N :NH3+ 155:sc= 0.237 (180deg=0.0525) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -37:sc= 0.386 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 22 ASN : amide:sc= -2.7! K(o=-2.7!,f=-0.96) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.02) USER MOD Single : A 33 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0042) 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= -2.02! K(o=-2!,f=-0.73) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.11) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.477) USER MOD Single : A 67 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 9.244 -7.800 -2.770 1.00 42.14 N ATOM 2 CA LYS A 1 9.840 -8.946 -3.452 1.00 15.30 C ATOM 3 C LYS A 1 11.248 -9.162 -2.923 1.00 34.53 C ATOM 4 O LYS A 1 12.105 -8.305 -3.104 1.00 63.04 O ATOM 5 CB LYS A 1 9.882 -8.681 -4.962 1.00 71.44 C ATOM 6 CG LYS A 1 10.429 -9.825 -5.799 1.00 11.24 C ATOM 7 CD LYS A 1 10.418 -9.487 -7.285 1.00 73.41 C ATOM 8 CE LYS A 1 11.306 -8.295 -7.596 1.00 43.23 C ATOM 9 NZ LYS A 1 11.261 -7.929 -9.018 1.00 43.13 N ATOM 0 H1 LYS A 1 8.505 -7.383 -3.372 1.00 42.14 H new ATOM 0 H2 LYS A 1 8.823 -8.111 -1.871 1.00 42.14 H new ATOM 0 H3 LYS A 1 9.978 -7.088 -2.580 1.00 42.14 H new ATOM 0 HA LYS A 1 9.242 -9.838 -3.266 1.00 15.30 H new ATOM 0 HB2 LYS A 1 8.873 -8.451 -5.304 1.00 71.44 H new ATOM 0 HB3 LYS A 1 10.490 -7.795 -5.144 1.00 71.44 H new ATOM 0 HG2 LYS A 1 11.448 -10.052 -5.484 1.00 11.24 H new ATOM 0 HG3 LYS A 1 9.834 -10.721 -5.625 1.00 11.24 H new ATOM 0 HD2 LYS A 1 10.755 -10.351 -7.857 1.00 73.41 H new ATOM 0 HD3 LYS A 1 9.397 -9.273 -7.602 1.00 73.41 H new ATOM 0 HE2 LYS A 1 10.993 -7.443 -6.993 1.00 43.23 H new ATOM 0 HE3 LYS A 1 12.333 -8.525 -7.314 1.00 43.23 H new ATOM 0 HZ1 LYS A 1 11.881 -7.111 -9.186 1.00 43.13 H new ATOM 0 HZ2 LYS A 1 11.584 -8.733 -9.594 1.00 43.13 H new ATOM 0 HZ3 LYS A 1 10.286 -7.684 -9.283 1.00 43.13 H new ATOM 23 N PRO A 2 11.508 -10.294 -2.253 1.00 33.23 N ATOM 24 CA PRO A 2 12.821 -10.576 -1.702 1.00 42.14 C ATOM 25 C PRO A 2 13.803 -10.943 -2.811 1.00 71.12 C ATOM 26 O PRO A 2 13.594 -11.913 -3.555 1.00 40.10 O ATOM 27 CB PRO A 2 12.577 -11.754 -0.756 1.00 60.02 C ATOM 28 CG PRO A 2 11.376 -12.444 -1.305 1.00 2.11 C ATOM 29 CD PRO A 2 10.546 -11.384 -1.988 1.00 21.24 C ATOM 0 HA PRO A 2 13.262 -9.721 -1.190 1.00 42.14 H new ATOM 0 HB2 PRO A 2 13.438 -12.422 -0.727 1.00 60.02 H new ATOM 0 HB3 PRO A 2 12.404 -11.412 0.264 1.00 60.02 H new ATOM 0 HG2 PRO A 2 11.665 -13.224 -2.010 1.00 2.11 H new ATOM 0 HG3 PRO A 2 10.809 -12.927 -0.509 1.00 2.11 H new ATOM 0 HD2 PRO A 2 10.102 -11.758 -2.911 1.00 21.24 H new ATOM 0 HD3 PRO A 2 9.726 -11.048 -1.353 1.00 21.24 H new ATOM 37 N VAL A 3 14.850 -10.176 -2.927 1.00 31.31 N ATOM 38 CA VAL A 3 15.818 -10.366 -3.988 1.00 72.22 C ATOM 39 C VAL A 3 16.741 -11.529 -3.692 1.00 30.13 C ATOM 40 O VAL A 3 16.980 -12.376 -4.543 1.00 52.22 O ATOM 41 CB VAL A 3 16.644 -9.078 -4.252 1.00 22.40 C ATOM 42 CG1 VAL A 3 17.649 -9.281 -5.377 1.00 40.22 C ATOM 43 CG2 VAL A 3 15.724 -7.912 -4.565 1.00 44.12 C ATOM 0 H VAL A 3 15.063 -9.403 -2.296 1.00 31.31 H new ATOM 0 HA VAL A 3 15.253 -10.596 -4.892 1.00 72.22 H new ATOM 0 HB VAL A 3 17.203 -8.850 -3.345 1.00 22.40 H new ATOM 0 HG11 VAL A 3 18.210 -8.360 -5.535 1.00 40.22 H new ATOM 0 HG12 VAL A 3 18.337 -10.083 -5.110 1.00 40.22 H new ATOM 0 HG13 VAL A 3 17.121 -9.546 -6.293 1.00 40.22 H new ATOM 0 HG21 VAL A 3 16.320 -7.017 -4.747 1.00 44.12 H new ATOM 0 HG22 VAL A 3 15.134 -8.142 -5.452 1.00 44.12 H new ATOM 0 HG23 VAL A 3 15.057 -7.738 -3.721 1.00 44.12 H new ATOM 53 N SER A 4 17.226 -11.575 -2.499 1.00 63.51 N ATOM 54 CA SER A 4 18.182 -12.600 -2.113 1.00 75.30 C ATOM 55 C SER A 4 18.059 -12.950 -0.634 1.00 43.40 C ATOM 56 O SER A 4 19.010 -13.439 -0.032 1.00 44.05 O ATOM 57 CB SER A 4 19.582 -12.070 -2.410 1.00 33.00 C ATOM 58 OG SER A 4 19.770 -10.794 -1.793 1.00 5.12 O ATOM 0 H SER A 4 16.985 -10.918 -1.757 1.00 63.51 H new ATOM 0 HA SER A 4 17.984 -13.511 -2.678 1.00 75.30 H new ATOM 0 HB2 SER A 4 20.330 -12.773 -2.043 1.00 33.00 H new ATOM 0 HB3 SER A 4 19.725 -11.986 -3.487 1.00 33.00 H new ATOM 0 HG SER A 4 20.165 -10.915 -0.904 1.00 5.12 H new ATOM 64 N LEU A 5 16.873 -12.714 -0.059 1.00 34.52 N ATOM 65 CA LEU A 5 16.588 -12.929 1.393 1.00 4.14 C ATOM 66 C LEU A 5 17.265 -11.894 2.277 1.00 44.31 C ATOM 67 O LEU A 5 16.669 -11.378 3.227 1.00 35.11 O ATOM 68 CB LEU A 5 16.882 -14.366 1.857 1.00 45.14 C ATOM 69 CG LEU A 5 16.071 -15.478 1.182 1.00 4.24 C ATOM 70 CD1 LEU A 5 16.530 -16.837 1.674 1.00 73.24 C ATOM 71 CD2 LEU A 5 14.581 -15.296 1.446 1.00 70.05 C ATOM 0 H LEU A 5 16.068 -12.365 -0.580 1.00 34.52 H new ATOM 0 HA LEU A 5 15.513 -12.787 1.507 1.00 4.14 H new ATOM 0 HB2 LEU A 5 17.941 -14.568 1.694 1.00 45.14 H new ATOM 0 HB3 LEU A 5 16.709 -14.421 2.932 1.00 45.14 H new ATOM 0 HG LEU A 5 16.238 -15.419 0.107 1.00 4.24 H new ATOM 0 HD11 LEU A 5 15.945 -17.617 1.186 1.00 73.24 H new ATOM 0 HD12 LEU A 5 17.585 -16.972 1.437 1.00 73.24 H new ATOM 0 HD13 LEU A 5 16.390 -16.900 2.753 1.00 73.24 H new ATOM 0 HD21 LEU A 5 14.025 -16.096 0.958 1.00 70.05 H new ATOM 0 HD22 LEU A 5 14.395 -15.328 2.520 1.00 70.05 H new ATOM 0 HD23 LEU A 5 14.256 -14.334 1.050 1.00 70.05 H new ATOM 83 N SER A 6 18.477 -11.609 1.952 1.00 33.44 N ATOM 84 CA SER A 6 19.266 -10.570 2.584 1.00 63.04 C ATOM 85 C SER A 6 18.688 -9.234 2.191 1.00 14.13 C ATOM 86 O SER A 6 18.586 -8.289 2.978 1.00 2.33 O ATOM 87 CB SER A 6 20.724 -10.723 2.168 1.00 71.05 C ATOM 88 OG SER A 6 20.836 -10.828 0.745 1.00 52.44 O ATOM 0 H SER A 6 18.979 -12.102 1.214 1.00 33.44 H new ATOM 0 HA SER A 6 19.233 -10.647 3.671 1.00 63.04 H new ATOM 0 HB2 SER A 6 21.300 -9.867 2.521 1.00 71.05 H new ATOM 0 HB3 SER A 6 21.150 -11.609 2.638 1.00 71.05 H new ATOM 0 HG SER A 6 21.779 -10.924 0.497 1.00 52.44 H new ATOM 94 N TYR A 7 18.303 -9.198 0.984 1.00 21.50 N ATOM 95 CA TYR A 7 17.549 -8.125 0.431 1.00 14.01 C ATOM 96 C TYR A 7 16.095 -8.494 0.486 1.00 1.43 C ATOM 97 O TYR A 7 15.553 -9.135 -0.427 1.00 42.52 O ATOM 98 CB TYR A 7 17.984 -7.758 -0.990 1.00 61.51 C ATOM 99 CG TYR A 7 19.313 -7.045 -1.059 1.00 0.21 C ATOM 100 CD1 TYR A 7 20.508 -7.738 -1.020 1.00 12.32 C ATOM 101 CD2 TYR A 7 19.362 -5.664 -1.166 1.00 62.25 C ATOM 102 CE1 TYR A 7 21.714 -7.076 -1.079 1.00 64.34 C ATOM 103 CE2 TYR A 7 20.566 -4.996 -1.230 1.00 13.53 C ATOM 104 CZ TYR A 7 21.737 -5.709 -1.185 1.00 2.20 C ATOM 105 OH TYR A 7 22.945 -5.049 -1.241 1.00 3.25 O ATOM 0 H TYR A 7 18.506 -9.940 0.314 1.00 21.50 H new ATOM 0 HA TYR A 7 17.731 -7.229 1.024 1.00 14.01 H new ATOM 0 HB2 TYR A 7 18.039 -8.667 -1.589 1.00 61.51 H new ATOM 0 HB3 TYR A 7 17.220 -7.125 -1.441 1.00 61.51 H new ATOM 0 HD1 TYR A 7 20.496 -8.815 -0.942 1.00 12.32 H new ATOM 0 HD2 TYR A 7 18.441 -5.101 -1.200 1.00 62.25 H new ATOM 0 HE1 TYR A 7 22.639 -7.632 -1.042 1.00 64.34 H new ATOM 0 HE2 TYR A 7 20.587 -3.920 -1.315 1.00 13.53 H new ATOM 0 HH TYR A 7 22.788 -4.085 -1.316 1.00 3.25 H new ATOM 115 N ARG A 8 15.517 -8.192 1.606 1.00 12.51 N ATOM 116 CA ARG A 8 14.134 -8.446 1.878 1.00 4.25 C ATOM 117 C ARG A 8 13.405 -7.132 1.843 1.00 34.25 C ATOM 118 O ARG A 8 13.969 -6.102 2.216 1.00 22.11 O ATOM 119 CB ARG A 8 13.977 -9.128 3.247 1.00 64.54 C ATOM 120 CG ARG A 8 14.563 -8.344 4.411 1.00 50.42 C ATOM 121 CD ARG A 8 14.354 -9.066 5.724 1.00 24.24 C ATOM 122 NE ARG A 8 14.918 -8.323 6.856 1.00 33.33 N ATOM 123 CZ ARG A 8 14.623 -8.557 8.143 1.00 54.15 C ATOM 124 NH1 ARG A 8 13.758 -9.511 8.462 1.00 74.53 N ATOM 125 NH2 ARG A 8 15.189 -7.835 9.104 1.00 33.35 N ATOM 0 H ARG A 8 16.009 -7.748 2.382 1.00 12.51 H new ATOM 0 HA ARG A 8 13.715 -9.118 1.129 1.00 4.25 H new ATOM 0 HB2 ARG A 8 12.917 -9.297 3.436 1.00 64.54 H new ATOM 0 HB3 ARG A 8 14.454 -10.107 3.208 1.00 64.54 H new ATOM 0 HG2 ARG A 8 15.629 -8.187 4.246 1.00 50.42 H new ATOM 0 HG3 ARG A 8 14.099 -7.359 4.458 1.00 50.42 H new ATOM 0 HD2 ARG A 8 13.287 -9.220 5.887 1.00 24.24 H new ATOM 0 HD3 ARG A 8 14.815 -10.053 5.672 1.00 24.24 H new ATOM 0 HE ARG A 8 15.581 -7.576 6.650 1.00 33.33 H new ATOM 0 HH11 ARG A 8 13.318 -10.066 7.728 1.00 74.53 H new ATOM 0 HH12 ARG A 8 13.533 -9.689 9.441 1.00 74.53 H new ATOM 0 HH21 ARG A 8 15.852 -7.098 8.865 1.00 33.35 H new ATOM 0 HH22 ARG A 8 14.960 -8.018 10.081 1.00 33.35 H new ATOM 139 N CYS A 9 12.191 -7.144 1.416 1.00 64.10 N ATOM 140 CA CYS A 9 11.479 -5.916 1.244 1.00 3.35 C ATOM 141 C CYS A 9 10.191 -5.898 2.067 1.00 32.22 C ATOM 142 O CYS A 9 9.579 -6.949 2.292 1.00 5.12 O ATOM 143 CB CYS A 9 11.196 -5.696 -0.240 1.00 55.41 C ATOM 144 SG CYS A 9 12.692 -5.699 -1.290 1.00 30.11 S ATOM 0 H CYS A 9 11.667 -7.986 1.178 1.00 64.10 H new ATOM 0 HA CYS A 9 12.097 -5.096 1.610 1.00 3.35 H new ATOM 0 HB2 CYS A 9 10.518 -6.474 -0.589 1.00 55.41 H new ATOM 0 HB3 CYS A 9 10.680 -4.744 -0.364 1.00 55.41 H new ATOM 149 N PRO A 10 9.774 -4.695 2.544 1.00 22.01 N ATOM 150 CA PRO A 10 8.554 -4.505 3.367 1.00 52.35 C ATOM 151 C PRO A 10 7.287 -5.139 2.772 1.00 73.31 C ATOM 152 O PRO A 10 6.405 -5.569 3.507 1.00 13.44 O ATOM 153 CB PRO A 10 8.405 -2.988 3.422 1.00 65.24 C ATOM 154 CG PRO A 10 9.791 -2.474 3.282 1.00 23.55 C ATOM 155 CD PRO A 10 10.487 -3.410 2.344 1.00 1.54 C ATOM 0 HA PRO A 10 8.661 -4.991 4.337 1.00 52.35 H new ATOM 0 HB2 PRO A 10 7.763 -2.623 2.620 1.00 65.24 H new ATOM 0 HB3 PRO A 10 7.955 -2.667 4.362 1.00 65.24 H new ATOM 0 HG2 PRO A 10 9.792 -1.457 2.890 1.00 23.55 H new ATOM 0 HG3 PRO A 10 10.295 -2.444 4.248 1.00 23.55 H new ATOM 0 HD2 PRO A 10 10.417 -3.069 1.311 1.00 1.54 H new ATOM 0 HD3 PRO A 10 11.548 -3.499 2.579 1.00 1.54 H new ATOM 163 N CYS A 11 7.206 -5.216 1.464 1.00 64.10 N ATOM 164 CA CYS A 11 6.041 -5.807 0.841 1.00 52.00 C ATOM 165 C CYS A 11 6.397 -7.054 0.072 1.00 55.35 C ATOM 166 O CYS A 11 7.493 -7.174 -0.492 1.00 52.41 O ATOM 167 CB CYS A 11 5.323 -4.801 -0.057 1.00 40.52 C ATOM 168 SG CYS A 11 4.531 -3.435 0.843 1.00 4.54 S ATOM 0 H CYS A 11 7.921 -4.883 0.817 1.00 64.10 H new ATOM 0 HA CYS A 11 5.357 -6.094 1.640 1.00 52.00 H new ATOM 0 HB2 CYS A 11 6.040 -4.387 -0.766 1.00 40.52 H new ATOM 0 HB3 CYS A 11 4.565 -5.326 -0.639 1.00 40.52 H new ATOM 173 N ARG A 12 5.468 -7.986 0.064 1.00 64.30 N ATOM 174 CA ARG A 12 5.635 -9.264 -0.592 1.00 35.52 C ATOM 175 C ARG A 12 4.629 -9.377 -1.721 1.00 71.42 C ATOM 176 O ARG A 12 4.911 -9.959 -2.775 1.00 23.22 O ATOM 177 CB ARG A 12 5.402 -10.384 0.418 1.00 22.24 C ATOM 178 CG ARG A 12 6.283 -10.274 1.647 1.00 23.34 C ATOM 179 CD ARG A 12 5.954 -11.334 2.674 1.00 74.22 C ATOM 180 NE ARG A 12 6.744 -11.145 3.893 1.00 31.40 N ATOM 181 CZ ARG A 12 6.396 -11.563 5.108 1.00 53.10 C ATOM 182 NH1 ARG A 12 5.275 -12.248 5.285 1.00 25.54 N ATOM 183 NH2 ARG A 12 7.172 -11.285 6.144 1.00 4.11 N ATOM 0 H ARG A 12 4.562 -7.875 0.520 1.00 64.30 H new ATOM 0 HA ARG A 12 6.645 -9.346 -0.994 1.00 35.52 H new ATOM 0 HB2 ARG A 12 4.357 -10.374 0.726 1.00 22.24 H new ATOM 0 HB3 ARG A 12 5.583 -11.344 -0.066 1.00 22.24 H new ATOM 0 HG2 ARG A 12 7.329 -10.365 1.353 1.00 23.34 H new ATOM 0 HG3 ARG A 12 6.162 -9.287 2.093 1.00 23.34 H new ATOM 0 HD2 ARG A 12 4.892 -11.295 2.915 1.00 74.22 H new ATOM 0 HD3 ARG A 12 6.151 -12.322 2.258 1.00 74.22 H new ATOM 0 HE ARG A 12 7.633 -10.653 3.804 1.00 31.40 H new ATOM 0 HH11 ARG A 12 4.674 -12.457 4.488 1.00 25.54 H new ATOM 0 HH12 ARG A 12 5.013 -12.566 6.218 1.00 25.54 H new ATOM 0 HH21 ARG A 12 8.032 -10.753 6.009 1.00 4.11 H new ATOM 0 HH22 ARG A 12 6.910 -11.603 7.077 1.00 4.11 H new ATOM 197 N PHE A 13 3.454 -8.819 -1.500 1.00 11.42 N ATOM 198 CA PHE A 13 2.402 -8.821 -2.492 1.00 51.35 C ATOM 199 C PHE A 13 1.809 -7.432 -2.598 1.00 42.32 C ATOM 200 O PHE A 13 1.605 -6.766 -1.589 1.00 50.20 O ATOM 201 CB PHE A 13 1.299 -9.834 -2.127 1.00 21.43 C ATOM 202 CG PHE A 13 1.777 -11.256 -2.019 1.00 12.12 C ATOM 203 CD1 PHE A 13 1.905 -12.044 -3.147 1.00 63.02 C ATOM 204 CD2 PHE A 13 2.104 -11.800 -0.789 1.00 21.23 C ATOM 205 CE1 PHE A 13 2.350 -13.345 -3.055 1.00 42.25 C ATOM 206 CE2 PHE A 13 2.550 -13.100 -0.691 1.00 15.12 C ATOM 207 CZ PHE A 13 2.672 -13.875 -1.825 1.00 22.31 C ATOM 0 H PHE A 13 3.204 -8.353 -0.628 1.00 11.42 H new ATOM 0 HA PHE A 13 2.829 -9.115 -3.451 1.00 51.35 H new ATOM 0 HB2 PHE A 13 0.852 -9.540 -1.177 1.00 21.43 H new ATOM 0 HB3 PHE A 13 0.512 -9.784 -2.879 1.00 21.43 H new ATOM 0 HD1 PHE A 13 1.653 -11.635 -4.114 1.00 63.02 H new ATOM 0 HD2 PHE A 13 2.009 -11.199 0.103 1.00 21.23 H new ATOM 0 HE1 PHE A 13 2.446 -13.948 -3.946 1.00 42.25 H new ATOM 0 HE2 PHE A 13 2.804 -13.512 0.274 1.00 15.12 H new ATOM 0 HZ PHE A 13 3.019 -14.895 -1.749 1.00 22.31 H new ATOM 217 N PHE A 14 1.553 -7.004 -3.798 1.00 13.33 N ATOM 218 CA PHE A 14 0.962 -5.709 -4.053 1.00 71.42 C ATOM 219 C PHE A 14 -0.305 -5.932 -4.825 1.00 55.13 C ATOM 220 O PHE A 14 -0.387 -6.872 -5.617 1.00 22.20 O ATOM 221 CB PHE A 14 1.877 -4.860 -4.934 1.00 61.42 C ATOM 222 CG PHE A 14 3.260 -4.594 -4.428 1.00 32.05 C ATOM 223 CD1 PHE A 14 3.520 -3.514 -3.623 1.00 63.43 C ATOM 224 CD2 PHE A 14 4.309 -5.409 -4.803 1.00 4.15 C ATOM 225 CE1 PHE A 14 4.789 -3.241 -3.194 1.00 54.23 C ATOM 226 CE2 PHE A 14 5.588 -5.150 -4.373 1.00 3.21 C ATOM 227 CZ PHE A 14 5.832 -4.063 -3.568 1.00 31.22 C ATOM 0 H PHE A 14 1.748 -7.544 -4.641 1.00 13.33 H new ATOM 0 HA PHE A 14 0.793 -5.202 -3.103 1.00 71.42 H new ATOM 0 HB2 PHE A 14 1.961 -5.349 -5.904 1.00 61.42 H new ATOM 0 HB3 PHE A 14 1.388 -3.900 -5.102 1.00 61.42 H new ATOM 0 HD1 PHE A 14 2.708 -2.868 -3.323 1.00 63.43 H new ATOM 0 HD2 PHE A 14 4.122 -6.260 -5.442 1.00 4.15 H new ATOM 0 HE1 PHE A 14 4.975 -2.384 -2.564 1.00 54.23 H new ATOM 0 HE2 PHE A 14 6.400 -5.799 -4.667 1.00 3.21 H new ATOM 0 HZ PHE A 14 6.836 -3.853 -3.230 1.00 31.22 H new ATOM 237 N GLU A 15 -1.289 -5.116 -4.605 1.00 73.25 N ATOM 238 CA GLU A 15 -2.478 -5.223 -5.394 1.00 15.14 C ATOM 239 C GLU A 15 -2.375 -4.389 -6.658 1.00 74.11 C ATOM 240 O GLU A 15 -2.046 -3.197 -6.615 1.00 50.41 O ATOM 241 CB GLU A 15 -3.767 -4.958 -4.597 1.00 75.11 C ATOM 242 CG GLU A 15 -4.077 -6.062 -3.602 1.00 1.22 C ATOM 243 CD GLU A 15 -5.404 -5.909 -2.892 1.00 3.02 C ATOM 244 OE1 GLU A 15 -6.465 -6.233 -3.501 1.00 1.33 O ATOM 245 OE2 GLU A 15 -5.427 -5.510 -1.731 1.00 12.11 O ATOM 0 H GLU A 15 -1.295 -4.380 -3.899 1.00 73.25 H new ATOM 0 HA GLU A 15 -2.558 -6.265 -5.704 1.00 15.14 H new ATOM 0 HB2 GLU A 15 -3.673 -4.011 -4.065 1.00 75.11 H new ATOM 0 HB3 GLU A 15 -4.602 -4.853 -5.289 1.00 75.11 H new ATOM 0 HG2 GLU A 15 -4.066 -7.019 -4.124 1.00 1.22 H new ATOM 0 HG3 GLU A 15 -3.282 -6.097 -2.857 1.00 1.22 H new ATOM 252 N SER A 16 -2.626 -5.036 -7.776 1.00 60.22 N ATOM 253 CA SER A 16 -2.545 -4.432 -9.084 1.00 11.21 C ATOM 254 C SER A 16 -3.971 -4.065 -9.562 1.00 30.32 C ATOM 255 O SER A 16 -4.222 -3.815 -10.757 1.00 22.33 O ATOM 256 CB SER A 16 -1.848 -5.420 -10.054 1.00 32.15 C ATOM 257 OG SER A 16 -1.642 -4.864 -11.358 1.00 72.24 O ATOM 0 H SER A 16 -2.898 -6.019 -7.799 1.00 60.22 H new ATOM 0 HA SER A 16 -1.955 -3.516 -9.053 1.00 11.21 H new ATOM 0 HB2 SER A 16 -0.887 -5.717 -9.634 1.00 32.15 H new ATOM 0 HB3 SER A 16 -2.451 -6.324 -10.140 1.00 32.15 H new ATOM 0 HG SER A 16 -2.408 -4.301 -11.598 1.00 72.24 H new ATOM 263 N HIS A 17 -4.886 -4.034 -8.621 1.00 51.41 N ATOM 264 CA HIS A 17 -6.244 -3.619 -8.869 1.00 72.31 C ATOM 265 C HIS A 17 -6.815 -3.101 -7.557 1.00 2.11 C ATOM 266 O HIS A 17 -7.289 -3.874 -6.733 1.00 5.13 O ATOM 267 CB HIS A 17 -7.085 -4.791 -9.406 1.00 34.55 C ATOM 268 CG HIS A 17 -8.463 -4.418 -9.883 1.00 71.31 C ATOM 269 ND1 HIS A 17 -8.790 -4.340 -11.213 1.00 25.55 N ATOM 270 CD2 HIS A 17 -9.601 -4.147 -9.208 1.00 44.21 C ATOM 271 CE1 HIS A 17 -10.057 -4.039 -11.340 1.00 1.22 C ATOM 272 NE2 HIS A 17 -10.576 -3.916 -10.141 1.00 55.13 N ATOM 0 H HIS A 17 -4.705 -4.299 -7.653 1.00 51.41 H new ATOM 0 HA HIS A 17 -6.267 -2.835 -9.626 1.00 72.31 H new ATOM 0 HB2 HIS A 17 -6.546 -5.258 -10.230 1.00 34.55 H new ATOM 0 HB3 HIS A 17 -7.179 -5.541 -8.621 1.00 34.55 H new ATOM 0 HD2 HIS A 17 -9.720 -4.118 -8.135 1.00 44.21 H new ATOM 0 HE1 HIS A 17 -10.586 -3.913 -12.273 1.00 1.22 H new ATOM 0 HE2 HIS A 17 -11.548 -3.686 -9.937 1.00 55.13 H new ATOM 281 N VAL A 18 -6.718 -1.819 -7.348 1.00 45.35 N ATOM 282 CA VAL A 18 -7.150 -1.212 -6.097 1.00 54.40 C ATOM 283 C VAL A 18 -8.081 -0.045 -6.398 1.00 1.21 C ATOM 284 O VAL A 18 -7.918 0.624 -7.413 1.00 43.32 O ATOM 285 CB VAL A 18 -5.923 -0.691 -5.275 1.00 33.13 C ATOM 286 CG1 VAL A 18 -6.352 -0.091 -3.936 1.00 72.44 C ATOM 287 CG2 VAL A 18 -4.904 -1.799 -5.048 1.00 42.11 C ATOM 0 H VAL A 18 -6.341 -1.159 -8.028 1.00 45.35 H new ATOM 0 HA VAL A 18 -7.669 -1.968 -5.508 1.00 54.40 H new ATOM 0 HB VAL A 18 -5.457 0.098 -5.866 1.00 33.13 H new ATOM 0 HG11 VAL A 18 -5.472 0.259 -3.396 1.00 72.44 H new ATOM 0 HG12 VAL A 18 -7.027 0.747 -4.112 1.00 72.44 H new ATOM 0 HG13 VAL A 18 -6.863 -0.850 -3.344 1.00 72.44 H new ATOM 0 HG21 VAL A 18 -4.063 -1.408 -4.475 1.00 42.11 H new ATOM 0 HG22 VAL A 18 -5.371 -2.615 -4.497 1.00 42.11 H new ATOM 0 HG23 VAL A 18 -4.547 -2.168 -6.010 1.00 42.11 H new ATOM 297 N ALA A 19 -9.052 0.193 -5.538 1.00 2.31 N ATOM 298 CA ALA A 19 -9.965 1.286 -5.716 1.00 11.21 C ATOM 299 C ALA A 19 -9.588 2.389 -4.761 1.00 10.23 C ATOM 300 O ALA A 19 -9.444 2.150 -3.557 1.00 13.42 O ATOM 301 CB ALA A 19 -11.387 0.830 -5.458 1.00 5.14 C ATOM 0 H ALA A 19 -9.223 -0.367 -4.703 1.00 2.31 H new ATOM 0 HA ALA A 19 -9.908 1.651 -6.741 1.00 11.21 H new ATOM 0 HB1 ALA A 19 -12.069 1.669 -5.597 1.00 5.14 H new ATOM 0 HB2 ALA A 19 -11.646 0.033 -6.155 1.00 5.14 H new ATOM 0 HB3 ALA A 19 -11.471 0.459 -4.436 1.00 5.14 H new ATOM 307 N ARG A 20 -9.439 3.596 -5.270 1.00 13.40 N ATOM 308 CA ARG A 20 -9.036 4.719 -4.436 1.00 64.03 C ATOM 309 C ARG A 20 -10.135 5.086 -3.431 1.00 70.22 C ATOM 310 O ARG A 20 -9.873 5.661 -2.382 1.00 3.24 O ATOM 311 CB ARG A 20 -8.621 5.914 -5.293 1.00 24.51 C ATOM 312 CG ARG A 20 -8.079 7.103 -4.499 1.00 54.30 C ATOM 313 CD ARG A 20 -7.531 8.166 -5.421 1.00 71.40 C ATOM 314 NE ARG A 20 -6.962 9.314 -4.697 1.00 51.41 N ATOM 315 CZ ARG A 20 -6.397 10.386 -5.287 1.00 24.42 C ATOM 316 NH1 ARG A 20 -6.326 10.466 -6.620 1.00 0.13 N ATOM 317 NH2 ARG A 20 -5.910 11.375 -4.546 1.00 2.42 N ATOM 0 H ARG A 20 -9.589 3.827 -6.252 1.00 13.40 H new ATOM 0 HA ARG A 20 -8.163 4.417 -3.857 1.00 64.03 H new ATOM 0 HB2 ARG A 20 -7.860 5.590 -6.003 1.00 24.51 H new ATOM 0 HB3 ARG A 20 -9.481 6.244 -5.876 1.00 24.51 H new ATOM 0 HG2 ARG A 20 -8.873 7.525 -3.883 1.00 54.30 H new ATOM 0 HG3 ARG A 20 -7.295 6.765 -3.821 1.00 54.30 H new ATOM 0 HD2 ARG A 20 -6.763 7.727 -6.057 1.00 71.40 H new ATOM 0 HD3 ARG A 20 -8.327 8.516 -6.078 1.00 71.40 H new ATOM 0 HE ARG A 20 -6.998 9.297 -3.678 1.00 51.41 H new ATOM 0 HH11 ARG A 20 -6.701 9.713 -7.197 1.00 0.13 H new ATOM 0 HH12 ARG A 20 -5.897 11.280 -7.060 1.00 0.13 H new ATOM 0 HH21 ARG A 20 -5.963 11.324 -3.529 1.00 2.42 H new ATOM 0 HH22 ARG A 20 -5.483 12.185 -4.994 1.00 2.42 H new ATOM 331 N ALA A 21 -11.350 4.724 -3.747 1.00 13.23 N ATOM 332 CA ALA A 21 -12.464 4.956 -2.842 1.00 71.21 C ATOM 333 C ALA A 21 -12.552 3.857 -1.777 1.00 64.01 C ATOM 334 O ALA A 21 -13.325 3.965 -0.834 1.00 12.13 O ATOM 335 CB ALA A 21 -13.770 5.051 -3.611 1.00 50.21 C ATOM 0 H ALA A 21 -11.602 4.266 -4.623 1.00 13.23 H new ATOM 0 HA ALA A 21 -12.288 5.905 -2.336 1.00 71.21 H new ATOM 0 HB1 ALA A 21 -14.590 5.225 -2.915 1.00 50.21 H new ATOM 0 HB2 ALA A 21 -13.715 5.877 -4.321 1.00 50.21 H new ATOM 0 HB3 ALA A 21 -13.943 4.120 -4.151 1.00 50.21 H new ATOM 341 N ASN A 22 -11.752 2.799 -1.933 1.00 72.32 N ATOM 342 CA ASN A 22 -11.789 1.669 -1.000 1.00 55.14 C ATOM 343 C ASN A 22 -10.575 1.723 -0.057 1.00 4.33 C ATOM 344 O ASN A 22 -10.493 0.978 0.921 1.00 20.42 O ATOM 345 CB ASN A 22 -11.820 0.349 -1.811 1.00 60.30 C ATOM 346 CG ASN A 22 -12.034 -0.918 -0.989 1.00 62.52 C ATOM 347 OD1 ASN A 22 -13.170 -1.332 -0.757 1.00 71.21 O ATOM 348 ND2 ASN A 22 -10.975 -1.559 -0.584 1.00 72.13 N ATOM 0 H ASN A 22 -11.076 2.701 -2.690 1.00 72.32 H new ATOM 0 HA ASN A 22 -12.686 1.721 -0.383 1.00 55.14 H new ATOM 0 HB2 ASN A 22 -12.614 0.418 -2.555 1.00 60.30 H new ATOM 0 HB3 ASN A 22 -10.880 0.254 -2.355 1.00 60.30 H new ATOM 0 HD21 ASN A 22 -11.074 -2.428 -0.060 1.00 72.13 H new ATOM 0 HD22 ASN A 22 -10.046 -1.192 -0.791 1.00 72.13 H new ATOM 355 N VAL A 23 -9.642 2.620 -0.350 1.00 30.23 N ATOM 356 CA VAL A 23 -8.466 2.791 0.482 1.00 4.14 C ATOM 357 C VAL A 23 -8.690 3.888 1.534 1.00 41.33 C ATOM 358 O VAL A 23 -9.151 4.992 1.230 1.00 65.33 O ATOM 359 CB VAL A 23 -7.176 3.068 -0.355 1.00 61.52 C ATOM 360 CG1 VAL A 23 -7.304 4.315 -1.205 1.00 75.12 C ATOM 361 CG2 VAL A 23 -5.975 3.171 0.551 1.00 74.31 C ATOM 0 H VAL A 23 -9.680 3.239 -1.160 1.00 30.23 H new ATOM 0 HA VAL A 23 -8.306 1.846 1.001 1.00 4.14 H new ATOM 0 HB VAL A 23 -7.042 2.226 -1.033 1.00 61.52 H new ATOM 0 HG11 VAL A 23 -6.384 4.467 -1.769 1.00 75.12 H new ATOM 0 HG12 VAL A 23 -8.138 4.200 -1.897 1.00 75.12 H new ATOM 0 HG13 VAL A 23 -7.482 5.177 -0.562 1.00 75.12 H new ATOM 0 HG21 VAL A 23 -5.084 3.364 -0.046 1.00 74.31 H new ATOM 0 HG22 VAL A 23 -6.122 3.987 1.258 1.00 74.31 H new ATOM 0 HG23 VAL A 23 -5.850 2.236 1.097 1.00 74.31 H new ATOM 371 N LYS A 24 -8.395 3.551 2.764 1.00 20.33 N ATOM 372 CA LYS A 24 -8.535 4.427 3.891 1.00 11.53 C ATOM 373 C LYS A 24 -7.359 5.377 3.959 1.00 10.41 C ATOM 374 O LYS A 24 -7.532 6.587 3.874 1.00 40.41 O ATOM 375 CB LYS A 24 -8.611 3.604 5.179 1.00 15.22 C ATOM 376 CG LYS A 24 -8.767 4.431 6.440 1.00 51.53 C ATOM 377 CD LYS A 24 -8.770 3.568 7.693 1.00 43.02 C ATOM 378 CE LYS A 24 -9.910 2.560 7.683 1.00 31.21 C ATOM 379 NZ LYS A 24 -9.992 1.816 8.953 1.00 61.24 N ATOM 0 H LYS A 24 -8.039 2.628 3.013 1.00 20.33 H new ATOM 0 HA LYS A 24 -9.452 5.006 3.779 1.00 11.53 H new ATOM 0 HB2 LYS A 24 -9.451 2.913 5.106 1.00 15.22 H new ATOM 0 HB3 LYS A 24 -7.708 3.000 5.264 1.00 15.22 H new ATOM 0 HG2 LYS A 24 -7.955 5.155 6.501 1.00 51.53 H new ATOM 0 HG3 LYS A 24 -9.696 4.998 6.389 1.00 51.53 H new ATOM 0 HD2 LYS A 24 -7.819 3.041 7.773 1.00 43.02 H new ATOM 0 HD3 LYS A 24 -8.856 4.205 8.573 1.00 43.02 H new ATOM 0 HE2 LYS A 24 -10.852 3.078 7.503 1.00 31.21 H new ATOM 0 HE3 LYS A 24 -9.769 1.860 6.860 1.00 31.21 H new ATOM 0 HZ1 LYS A 24 -10.990 1.650 9.194 1.00 61.24 H new ATOM 0 HZ2 LYS A 24 -9.504 0.903 8.853 1.00 61.24 H new ATOM 0 HZ3 LYS A 24 -9.540 2.369 9.709 1.00 61.24 H new ATOM 393 N HIS A 25 -6.159 4.827 4.105 1.00 1.13 N ATOM 394 CA HIS A 25 -4.986 5.668 4.197 1.00 15.31 C ATOM 395 C HIS A 25 -3.963 5.282 3.174 1.00 4.11 C ATOM 396 O HIS A 25 -3.836 4.097 2.836 1.00 62.24 O ATOM 397 CB HIS A 25 -4.339 5.705 5.633 1.00 41.14 C ATOM 398 CG HIS A 25 -3.632 4.450 6.180 1.00 30.14 C ATOM 399 ND1 HIS A 25 -3.356 4.297 7.515 1.00 34.25 N ATOM 400 CD2 HIS A 25 -3.066 3.366 5.574 1.00 61.01 C ATOM 401 CE1 HIS A 25 -2.658 3.201 7.707 1.00 60.41 C ATOM 402 NE2 HIS A 25 -2.469 2.614 6.555 1.00 14.12 N ATOM 0 H HIS A 25 -5.980 3.824 4.161 1.00 1.13 H new ATOM 0 HA HIS A 25 -5.337 6.680 3.993 1.00 15.31 H new ATOM 0 HB2 HIS A 25 -3.614 6.519 5.644 1.00 41.14 H new ATOM 0 HB3 HIS A 25 -5.126 5.970 6.339 1.00 41.14 H new ATOM 0 HD2 HIS A 25 -3.084 3.141 4.518 1.00 61.01 H new ATOM 0 HE1 HIS A 25 -2.299 2.844 8.661 1.00 60.41 H new ATOM 0 HE2 HIS A 25 -1.962 1.741 6.409 1.00 14.12 H new ATOM 411 N LEU A 26 -3.267 6.252 2.677 1.00 45.54 N ATOM 412 CA LEU A 26 -2.179 6.014 1.785 1.00 50.54 C ATOM 413 C LEU A 26 -0.890 6.290 2.518 1.00 34.23 C ATOM 414 O LEU A 26 -0.741 7.336 3.147 1.00 61.23 O ATOM 415 CB LEU A 26 -2.249 6.911 0.516 1.00 55.13 C ATOM 416 CG LEU A 26 -3.386 6.667 -0.509 1.00 0.51 C ATOM 417 CD1 LEU A 26 -3.343 5.251 -1.049 1.00 52.53 C ATOM 418 CD2 LEU A 26 -4.766 7.009 0.054 1.00 11.22 C ATOM 0 H LEU A 26 -3.438 7.237 2.879 1.00 45.54 H new ATOM 0 HA LEU A 26 -2.232 4.977 1.454 1.00 50.54 H new ATOM 0 HB2 LEU A 26 -2.320 7.947 0.848 1.00 55.13 H new ATOM 0 HB3 LEU A 26 -1.301 6.810 -0.012 1.00 55.13 H new ATOM 0 HG LEU A 26 -3.212 7.350 -1.341 1.00 0.51 H new ATOM 0 HD11 LEU A 26 -4.152 5.110 -1.765 1.00 52.53 H new ATOM 0 HD12 LEU A 26 -2.387 5.079 -1.543 1.00 52.53 H new ATOM 0 HD13 LEU A 26 -3.459 4.544 -0.227 1.00 52.53 H new ATOM 0 HD21 LEU A 26 -5.526 6.820 -0.705 1.00 11.22 H new ATOM 0 HD22 LEU A 26 -4.965 6.391 0.929 1.00 11.22 H new ATOM 0 HD23 LEU A 26 -4.792 8.061 0.339 1.00 11.22 H new ATOM 430 N LYS A 27 0.009 5.362 2.465 1.00 33.04 N ATOM 431 CA LYS A 27 1.316 5.521 3.033 1.00 43.35 C ATOM 432 C LYS A 27 2.290 4.948 2.046 1.00 3.32 C ATOM 433 O LYS A 27 2.163 3.810 1.661 1.00 74.14 O ATOM 434 CB LYS A 27 1.409 4.783 4.399 1.00 24.11 C ATOM 435 CG LYS A 27 2.787 4.862 5.063 1.00 63.32 C ATOM 436 CD LYS A 27 2.856 4.068 6.374 1.00 34.53 C ATOM 437 CE LYS A 27 1.869 4.583 7.414 1.00 2.14 C ATOM 438 NZ LYS A 27 1.983 3.858 8.703 1.00 64.11 N ATOM 0 H LYS A 27 -0.142 4.457 2.020 1.00 33.04 H new ATOM 0 HA LYS A 27 1.536 6.571 3.224 1.00 43.35 H new ATOM 0 HB2 LYS A 27 0.667 5.203 5.077 1.00 24.11 H new ATOM 0 HB3 LYS A 27 1.149 3.735 4.251 1.00 24.11 H new ATOM 0 HG2 LYS A 27 3.541 4.483 4.373 1.00 63.32 H new ATOM 0 HG3 LYS A 27 3.032 5.906 5.261 1.00 63.32 H new ATOM 0 HD2 LYS A 27 2.651 3.017 6.171 1.00 34.53 H new ATOM 0 HD3 LYS A 27 3.867 4.123 6.777 1.00 34.53 H new ATOM 0 HE2 LYS A 27 2.042 5.646 7.581 1.00 2.14 H new ATOM 0 HE3 LYS A 27 0.854 4.481 7.031 1.00 2.14 H new ATOM 0 HZ1 LYS A 27 1.293 4.242 9.380 1.00 64.11 H new ATOM 0 HZ2 LYS A 27 1.793 2.847 8.551 1.00 64.11 H new ATOM 0 HZ3 LYS A 27 2.944 3.976 9.084 1.00 64.11 H new ATOM 452 N ILE A 28 3.238 5.711 1.624 1.00 74.11 N ATOM 453 CA ILE A 28 4.165 5.224 0.639 1.00 62.05 C ATOM 454 C ILE A 28 5.562 5.153 1.211 1.00 62.52 C ATOM 455 O ILE A 28 6.086 6.138 1.728 1.00 61.25 O ATOM 456 CB ILE A 28 4.123 6.045 -0.677 1.00 72.13 C ATOM 457 CG1 ILE A 28 2.700 6.003 -1.262 1.00 43.22 C ATOM 458 CG2 ILE A 28 5.112 5.479 -1.677 1.00 24.02 C ATOM 459 CD1 ILE A 28 2.537 6.684 -2.603 1.00 34.10 C ATOM 0 H ILE A 28 3.399 6.668 1.937 1.00 74.11 H new ATOM 0 HA ILE A 28 3.854 4.214 0.374 1.00 62.05 H new ATOM 0 HB ILE A 28 4.396 7.079 -0.464 1.00 72.13 H new ATOM 0 HG12 ILE A 28 2.395 4.961 -1.362 1.00 43.22 H new ATOM 0 HG13 ILE A 28 2.018 6.468 -0.551 1.00 43.22 H new ATOM 0 HG21 ILE A 28 5.074 6.063 -2.597 1.00 24.02 H new ATOM 0 HG22 ILE A 28 6.118 5.525 -1.260 1.00 24.02 H new ATOM 0 HG23 ILE A 28 4.856 4.442 -1.895 1.00 24.02 H new ATOM 0 HD11 ILE A 28 1.501 6.600 -2.930 1.00 34.10 H new ATOM 0 HD12 ILE A 28 2.805 7.737 -2.511 1.00 34.10 H new ATOM 0 HD13 ILE A 28 3.188 6.207 -3.335 1.00 34.10 H new ATOM 471 N LEU A 29 6.154 3.994 1.096 1.00 51.34 N ATOM 472 CA LEU A 29 7.429 3.711 1.681 1.00 31.41 C ATOM 473 C LEU A 29 8.489 3.483 0.614 1.00 61.23 C ATOM 474 O LEU A 29 8.460 2.481 -0.117 1.00 32.41 O ATOM 475 CB LEU A 29 7.309 2.466 2.572 1.00 10.30 C ATOM 476 CG LEU A 29 8.585 1.976 3.270 1.00 13.13 C ATOM 477 CD1 LEU A 29 9.152 3.042 4.185 1.00 45.24 C ATOM 478 CD2 LEU A 29 8.295 0.715 4.048 1.00 24.32 C ATOM 0 H LEU A 29 5.753 3.209 0.583 1.00 51.34 H new ATOM 0 HA LEU A 29 7.736 4.570 2.278 1.00 31.41 H new ATOM 0 HB2 LEU A 29 6.562 2.670 3.339 1.00 10.30 H new ATOM 0 HB3 LEU A 29 6.924 1.650 1.961 1.00 10.30 H new ATOM 0 HG LEU A 29 9.332 1.760 2.506 1.00 13.13 H new ATOM 0 HD11 LEU A 29 10.055 2.666 4.666 1.00 45.24 H new ATOM 0 HD12 LEU A 29 9.394 3.931 3.602 1.00 45.24 H new ATOM 0 HD13 LEU A 29 8.415 3.297 4.947 1.00 45.24 H new ATOM 0 HD21 LEU A 29 9.206 0.374 4.540 1.00 24.32 H new ATOM 0 HD22 LEU A 29 7.531 0.918 4.798 1.00 24.32 H new ATOM 0 HD23 LEU A 29 7.939 -0.058 3.368 1.00 24.32 H new ATOM 490 N ASN A 30 9.409 4.398 0.516 1.00 4.34 N ATOM 491 CA ASN A 30 10.528 4.223 -0.380 1.00 1.45 C ATOM 492 C ASN A 30 11.587 3.479 0.384 1.00 62.10 C ATOM 493 O ASN A 30 11.897 3.821 1.524 1.00 62.41 O ATOM 494 CB ASN A 30 11.065 5.565 -0.940 1.00 52.23 C ATOM 495 CG ASN A 30 11.526 6.539 0.126 1.00 70.32 C ATOM 496 OD1 ASN A 30 12.690 6.529 0.543 1.00 30.42 O ATOM 497 ND2 ASN A 30 10.631 7.396 0.557 1.00 51.34 N ATOM 0 H ASN A 30 9.412 5.272 1.041 1.00 4.34 H new ATOM 0 HA ASN A 30 10.212 3.660 -1.258 1.00 1.45 H new ATOM 0 HB2 ASN A 30 11.897 5.359 -1.613 1.00 52.23 H new ATOM 0 HB3 ASN A 30 10.283 6.037 -1.535 1.00 52.23 H new ATOM 0 HD21 ASN A 30 10.885 8.088 1.262 1.00 51.34 H new ATOM 0 HD22 ASN A 30 9.681 7.371 0.187 1.00 51.34 H new ATOM 504 N THR A 31 12.100 2.441 -0.190 1.00 12.15 N ATOM 505 CA THR A 31 13.015 1.609 0.514 1.00 0.50 C ATOM 506 C THR A 31 14.417 1.696 -0.124 1.00 2.13 C ATOM 507 O THR A 31 14.555 1.511 -1.312 1.00 53.22 O ATOM 508 CB THR A 31 12.486 0.176 0.484 1.00 13.34 C ATOM 509 OG1 THR A 31 11.121 0.184 0.938 1.00 74.15 O ATOM 510 CG2 THR A 31 13.292 -0.730 1.390 1.00 42.04 C ATOM 0 H THR A 31 11.900 2.150 -1.147 1.00 12.15 H new ATOM 0 HA THR A 31 13.105 1.940 1.549 1.00 0.50 H new ATOM 0 HB THR A 31 12.563 -0.201 -0.536 1.00 13.34 H new ATOM 0 HG1 THR A 31 10.766 -0.729 0.923 1.00 74.15 H new ATOM 0 HG21 THR A 31 12.889 -1.742 1.345 1.00 42.04 H new ATOM 0 HG22 THR A 31 14.332 -0.739 1.064 1.00 42.04 H new ATOM 0 HG23 THR A 31 13.236 -0.363 2.415 1.00 42.04 H new ATOM 518 N PRO A 32 15.465 1.971 0.680 1.00 2.51 N ATOM 519 CA PRO A 32 16.858 2.165 0.190 1.00 21.45 C ATOM 520 C PRO A 32 17.402 1.004 -0.670 1.00 43.52 C ATOM 521 O PRO A 32 18.147 1.215 -1.630 1.00 54.41 O ATOM 522 CB PRO A 32 17.679 2.258 1.493 1.00 2.11 C ATOM 523 CG PRO A 32 16.777 1.759 2.568 1.00 51.33 C ATOM 524 CD PRO A 32 15.397 2.131 2.142 1.00 35.24 C ATOM 0 HA PRO A 32 16.912 3.036 -0.463 1.00 21.45 H new ATOM 0 HB2 PRO A 32 18.585 1.655 1.430 1.00 2.11 H new ATOM 0 HB3 PRO A 32 17.991 3.284 1.688 1.00 2.11 H new ATOM 0 HG2 PRO A 32 16.872 0.680 2.689 1.00 51.33 H new ATOM 0 HG3 PRO A 32 17.025 2.211 3.528 1.00 51.33 H new ATOM 0 HD2 PRO A 32 14.645 1.480 2.588 1.00 35.24 H new ATOM 0 HD3 PRO A 32 15.145 3.152 2.428 1.00 35.24 H new ATOM 532 N ASN A 33 17.020 -0.199 -0.331 1.00 73.12 N ATOM 533 CA ASN A 33 17.543 -1.391 -0.999 1.00 11.41 C ATOM 534 C ASN A 33 16.457 -2.178 -1.721 1.00 54.22 C ATOM 535 O ASN A 33 16.679 -3.293 -2.172 1.00 11.22 O ATOM 536 CB ASN A 33 18.315 -2.273 0.004 1.00 53.13 C ATOM 537 CG ASN A 33 17.517 -2.608 1.246 1.00 31.43 C ATOM 538 OD1 ASN A 33 16.809 -3.608 1.308 1.00 54.31 O ATOM 539 ND2 ASN A 33 17.640 -1.768 2.256 1.00 33.21 N ATOM 0 H ASN A 33 16.344 -0.394 0.408 1.00 73.12 H new ATOM 0 HA ASN A 33 18.238 -1.057 -1.770 1.00 11.41 H new ATOM 0 HB2 ASN A 33 18.611 -3.199 -0.490 1.00 53.13 H new ATOM 0 HB3 ASN A 33 19.232 -1.761 0.297 1.00 53.13 H new ATOM 0 HD21 ASN A 33 17.137 -1.940 3.126 1.00 33.21 H new ATOM 0 HD22 ASN A 33 18.239 -0.947 2.166 1.00 33.21 H new ATOM 546 N CYS A 34 15.309 -1.569 -1.867 1.00 61.04 N ATOM 547 CA CYS A 34 14.186 -2.154 -2.518 1.00 12.03 C ATOM 548 C CYS A 34 13.518 -1.118 -3.401 1.00 65.15 C ATOM 549 O CYS A 34 13.971 0.030 -3.463 1.00 44.44 O ATOM 550 CB CYS A 34 13.208 -2.722 -1.505 1.00 11.24 C ATOM 551 SG CYS A 34 13.810 -4.164 -0.573 1.00 51.43 S ATOM 0 H CYS A 34 15.134 -0.625 -1.523 1.00 61.04 H new ATOM 0 HA CYS A 34 14.526 -2.981 -3.141 1.00 12.03 H new ATOM 0 HB2 CYS A 34 12.945 -1.936 -0.797 1.00 11.24 H new ATOM 0 HB3 CYS A 34 12.292 -3.002 -2.025 1.00 11.24 H new ATOM 556 N ALA A 35 12.510 -1.518 -4.126 1.00 52.54 N ATOM 557 CA ALA A 35 11.766 -0.609 -4.970 1.00 75.25 C ATOM 558 C ALA A 35 10.874 0.302 -4.104 1.00 45.24 C ATOM 559 O ALA A 35 11.077 0.429 -2.879 1.00 34.43 O ATOM 560 CB ALA A 35 10.923 -1.407 -5.961 1.00 71.41 C ATOM 0 H ALA A 35 12.177 -2.482 -4.152 1.00 52.54 H new ATOM 0 HA ALA A 35 12.459 0.021 -5.528 1.00 75.25 H new ATOM 0 HB1 ALA A 35 10.363 -0.721 -6.597 1.00 71.41 H new ATOM 0 HB2 ALA A 35 11.575 -2.024 -6.579 1.00 71.41 H new ATOM 0 HB3 ALA A 35 10.228 -2.046 -5.416 1.00 71.41 H new ATOM 566 N LEU A 36 9.925 0.933 -4.724 1.00 14.43 N ATOM 567 CA LEU A 36 9.009 1.818 -4.049 1.00 15.04 C ATOM 568 C LEU A 36 7.773 1.011 -3.593 1.00 71.35 C ATOM 569 O LEU A 36 7.071 0.436 -4.417 1.00 3.45 O ATOM 570 CB LEU A 36 8.653 2.971 -5.046 1.00 31.10 C ATOM 571 CG LEU A 36 7.743 4.141 -4.595 1.00 1.05 C ATOM 572 CD1 LEU A 36 6.306 3.711 -4.389 1.00 31.33 C ATOM 573 CD2 LEU A 36 8.299 4.800 -3.345 1.00 40.32 C ATOM 0 H LEU A 36 9.757 0.851 -5.727 1.00 14.43 H new ATOM 0 HA LEU A 36 9.443 2.260 -3.152 1.00 15.04 H new ATOM 0 HB2 LEU A 36 9.593 3.406 -5.386 1.00 31.10 H new ATOM 0 HB3 LEU A 36 8.182 2.512 -5.915 1.00 31.10 H new ATOM 0 HG LEU A 36 7.738 4.873 -5.403 1.00 1.05 H new ATOM 0 HD11 LEU A 36 5.711 4.568 -4.074 1.00 31.33 H new ATOM 0 HD12 LEU A 36 5.907 3.316 -5.323 1.00 31.33 H new ATOM 0 HD13 LEU A 36 6.264 2.938 -3.621 1.00 31.33 H new ATOM 0 HD21 LEU A 36 7.646 5.619 -3.044 1.00 40.32 H new ATOM 0 HD22 LEU A 36 8.355 4.066 -2.541 1.00 40.32 H new ATOM 0 HD23 LEU A 36 9.296 5.188 -3.551 1.00 40.32 H new ATOM 585 N GLN A 37 7.542 0.942 -2.278 1.00 21.43 N ATOM 586 CA GLN A 37 6.365 0.243 -1.750 1.00 10.23 C ATOM 587 C GLN A 37 5.269 1.215 -1.403 1.00 22.12 C ATOM 588 O GLN A 37 5.528 2.302 -0.911 1.00 44.23 O ATOM 589 CB GLN A 37 6.633 -0.657 -0.502 1.00 44.31 C ATOM 590 CG GLN A 37 7.278 -2.041 -0.739 1.00 51.31 C ATOM 591 CD GLN A 37 8.759 -2.073 -0.963 1.00 74.01 C ATOM 592 OE1 GLN A 37 9.410 -3.055 -0.631 1.00 73.43 O ATOM 593 NE2 GLN A 37 9.290 -1.074 -1.503 1.00 61.41 N ATOM 0 H GLN A 37 8.145 1.356 -1.567 1.00 21.43 H new ATOM 0 HA GLN A 37 6.067 -0.419 -2.563 1.00 10.23 H new ATOM 0 HB2 GLN A 37 7.275 -0.101 0.181 1.00 44.31 H new ATOM 0 HB3 GLN A 37 5.683 -0.813 0.009 1.00 44.31 H new ATOM 0 HG2 GLN A 37 7.052 -2.672 0.121 1.00 51.31 H new ATOM 0 HG3 GLN A 37 6.795 -2.496 -1.604 1.00 51.31 H new ATOM 0 HE21 GLN A 37 8.717 -0.272 -1.767 1.00 61.41 H new ATOM 0 HE22 GLN A 37 10.295 -1.063 -1.678 1.00 61.41 H new ATOM 602 N ILE A 38 4.063 0.827 -1.659 1.00 64.22 N ATOM 603 CA ILE A 38 2.915 1.618 -1.312 1.00 24.24 C ATOM 604 C ILE A 38 2.080 0.805 -0.356 1.00 55.33 C ATOM 605 O ILE A 38 1.788 -0.349 -0.629 1.00 52.40 O ATOM 606 CB ILE A 38 2.076 1.947 -2.562 1.00 63.04 C ATOM 607 CG1 ILE A 38 2.918 2.705 -3.584 1.00 1.20 C ATOM 608 CG2 ILE A 38 0.812 2.737 -2.195 1.00 11.24 C ATOM 609 CD1 ILE A 38 2.212 2.952 -4.885 1.00 12.53 C ATOM 0 H ILE A 38 3.838 -0.055 -2.119 1.00 64.22 H new ATOM 0 HA ILE A 38 3.236 2.558 -0.863 1.00 24.24 H new ATOM 0 HB ILE A 38 1.754 1.007 -3.010 1.00 63.04 H new ATOM 0 HG12 ILE A 38 3.218 3.662 -3.156 1.00 1.20 H new ATOM 0 HG13 ILE A 38 3.831 2.142 -3.778 1.00 1.20 H new ATOM 0 HG21 ILE A 38 0.243 2.953 -3.099 1.00 11.24 H new ATOM 0 HG22 ILE A 38 0.200 2.147 -1.513 1.00 11.24 H new ATOM 0 HG23 ILE A 38 1.095 3.672 -1.712 1.00 11.24 H new ATOM 0 HD11 ILE A 38 2.873 3.495 -5.560 1.00 12.53 H new ATOM 0 HD12 ILE A 38 1.936 1.999 -5.336 1.00 12.53 H new ATOM 0 HD13 ILE A 38 1.313 3.542 -4.705 1.00 12.53 H new ATOM 621 N VAL A 39 1.732 1.376 0.749 1.00 61.32 N ATOM 622 CA VAL A 39 0.952 0.703 1.751 1.00 1.22 C ATOM 623 C VAL A 39 -0.412 1.365 1.851 1.00 21.03 C ATOM 624 O VAL A 39 -0.524 2.592 1.976 1.00 34.25 O ATOM 625 CB VAL A 39 1.658 0.742 3.136 1.00 23.05 C ATOM 626 CG1 VAL A 39 0.863 -0.013 4.184 1.00 13.11 C ATOM 627 CG2 VAL A 39 3.080 0.200 3.043 1.00 61.44 C ATOM 0 H VAL A 39 1.981 2.335 0.991 1.00 61.32 H new ATOM 0 HA VAL A 39 0.841 -0.341 1.460 1.00 1.22 H new ATOM 0 HB VAL A 39 1.712 1.786 3.446 1.00 23.05 H new ATOM 0 HG11 VAL A 39 1.384 0.034 5.140 1.00 13.11 H new ATOM 0 HG12 VAL A 39 -0.124 0.438 4.287 1.00 13.11 H new ATOM 0 HG13 VAL A 39 0.757 -1.054 3.880 1.00 13.11 H new ATOM 0 HG21 VAL A 39 3.549 0.239 4.026 1.00 61.44 H new ATOM 0 HG22 VAL A 39 3.054 -0.832 2.694 1.00 61.44 H new ATOM 0 HG23 VAL A 39 3.655 0.805 2.342 1.00 61.44 H new ATOM 637 N ALA A 40 -1.423 0.569 1.794 1.00 52.10 N ATOM 638 CA ALA A 40 -2.774 1.032 1.824 1.00 31.01 C ATOM 639 C ALA A 40 -3.547 0.241 2.807 1.00 73.21 C ATOM 640 O ALA A 40 -3.226 -0.902 3.072 1.00 1.34 O ATOM 641 CB ALA A 40 -3.384 0.841 0.473 1.00 73.43 C ATOM 0 H ALA A 40 -1.336 -0.445 1.724 1.00 52.10 H new ATOM 0 HA ALA A 40 -2.790 2.086 2.102 1.00 31.01 H new ATOM 0 HB1 ALA A 40 -4.416 1.192 0.487 1.00 73.43 H new ATOM 0 HB2 ALA A 40 -2.818 1.408 -0.265 1.00 73.43 H new ATOM 0 HB3 ALA A 40 -3.364 -0.217 0.211 1.00 73.43 H new ATOM 647 N ARG A 41 -4.551 0.825 3.355 1.00 42.12 N ATOM 648 CA ARG A 41 -5.391 0.104 4.245 1.00 32.44 C ATOM 649 C ARG A 41 -6.770 0.291 3.761 1.00 13.42 C ATOM 650 O ARG A 41 -7.135 1.387 3.421 1.00 11.10 O ATOM 651 CB ARG A 41 -5.251 0.603 5.665 1.00 4.43 C ATOM 652 CG ARG A 41 -5.702 -0.401 6.704 1.00 61.04 C ATOM 653 CD ARG A 41 -5.386 0.109 8.064 1.00 51.22 C ATOM 654 NE ARG A 41 -5.537 -0.887 9.125 1.00 52.23 N ATOM 655 CZ ARG A 41 -5.002 -0.760 10.359 1.00 71.31 C ATOM 656 NH1 ARG A 41 -4.415 0.386 10.726 1.00 71.30 N ATOM 657 NH2 ARG A 41 -5.086 -1.755 11.231 1.00 42.21 N ATOM 0 H ARG A 41 -4.812 1.799 3.204 1.00 42.12 H new ATOM 0 HA ARG A 41 -5.116 -0.950 4.262 1.00 32.44 H new ATOM 0 HB2 ARG A 41 -4.208 0.862 5.850 1.00 4.43 H new ATOM 0 HB3 ARG A 41 -5.832 1.518 5.779 1.00 4.43 H new ATOM 0 HG2 ARG A 41 -6.774 -0.578 6.611 1.00 61.04 H new ATOM 0 HG3 ARG A 41 -5.205 -1.357 6.539 1.00 61.04 H new ATOM 0 HD2 ARG A 41 -4.361 0.480 8.072 1.00 51.22 H new ATOM 0 HD3 ARG A 41 -6.034 0.958 8.282 1.00 51.22 H new ATOM 0 HE ARG A 41 -6.078 -1.727 8.921 1.00 52.23 H new ATOM 0 HH11 ARG A 41 -4.370 1.168 10.073 1.00 71.30 H new ATOM 0 HH12 ARG A 41 -4.013 0.477 11.659 1.00 71.30 H new ATOM 0 HH21 ARG A 41 -5.556 -2.622 10.972 1.00 42.21 H new ATOM 0 HH22 ARG A 41 -4.680 -1.653 12.161 1.00 42.21 H new ATOM 671 N LEU A 42 -7.511 -0.750 3.706 1.00 12.54 N ATOM 672 CA LEU A 42 -8.846 -0.710 3.159 1.00 52.53 C ATOM 673 C LEU A 42 -9.809 -0.080 4.144 1.00 25.22 C ATOM 674 O LEU A 42 -9.637 -0.204 5.349 1.00 50.40 O ATOM 675 CB LEU A 42 -9.285 -2.115 2.778 1.00 50.11 C ATOM 676 CG LEU A 42 -8.313 -2.898 1.885 1.00 61.53 C ATOM 677 CD1 LEU A 42 -8.884 -4.249 1.539 1.00 74.54 C ATOM 678 CD2 LEU A 42 -7.952 -2.121 0.626 1.00 11.13 C ATOM 0 H LEU A 42 -7.222 -1.670 4.038 1.00 12.54 H new ATOM 0 HA LEU A 42 -8.847 -0.092 2.261 1.00 52.53 H new ATOM 0 HB2 LEU A 42 -9.448 -2.685 3.693 1.00 50.11 H new ATOM 0 HB3 LEU A 42 -10.246 -2.049 2.267 1.00 50.11 H new ATOM 0 HG LEU A 42 -7.392 -3.045 2.449 1.00 61.53 H new ATOM 0 HD11 LEU A 42 -8.181 -4.790 0.905 1.00 74.54 H new ATOM 0 HD12 LEU A 42 -9.058 -4.816 2.454 1.00 74.54 H new ATOM 0 HD13 LEU A 42 -9.827 -4.120 1.007 1.00 74.54 H new ATOM 0 HD21 LEU A 42 -7.262 -2.709 0.021 1.00 11.13 H new ATOM 0 HD22 LEU A 42 -8.856 -1.918 0.052 1.00 11.13 H new ATOM 0 HD23 LEU A 42 -7.479 -1.179 0.903 1.00 11.13 H new ATOM 690 N LYS A 43 -10.785 0.612 3.623 1.00 14.51 N ATOM 691 CA LYS A 43 -11.769 1.304 4.416 1.00 1.03 C ATOM 692 C LYS A 43 -12.661 0.368 5.204 1.00 1.52 C ATOM 693 O LYS A 43 -12.630 0.363 6.435 1.00 31.32 O ATOM 694 CB LYS A 43 -12.585 2.233 3.525 1.00 60.51 C ATOM 695 CG LYS A 43 -11.785 3.396 2.995 1.00 42.24 C ATOM 696 CD LYS A 43 -12.609 4.330 2.141 1.00 42.42 C ATOM 697 CE LYS A 43 -13.780 4.894 2.910 1.00 60.22 C ATOM 698 NZ LYS A 43 -14.502 5.915 2.142 1.00 73.23 N ATOM 0 H LYS A 43 -10.923 0.714 2.618 1.00 14.51 H new ATOM 0 HA LYS A 43 -11.235 1.895 5.160 1.00 1.03 H new ATOM 0 HB2 LYS A 43 -12.986 1.663 2.687 1.00 60.51 H new ATOM 0 HB3 LYS A 43 -13.437 2.613 4.089 1.00 60.51 H new ATOM 0 HG2 LYS A 43 -11.363 3.953 3.832 1.00 42.24 H new ATOM 0 HG3 LYS A 43 -10.947 3.018 2.409 1.00 42.24 H new ATOM 0 HD2 LYS A 43 -11.981 5.146 1.782 1.00 42.42 H new ATOM 0 HD3 LYS A 43 -12.972 3.797 1.262 1.00 42.42 H new ATOM 0 HE2 LYS A 43 -14.464 4.087 3.172 1.00 60.22 H new ATOM 0 HE3 LYS A 43 -13.425 5.327 3.845 1.00 60.22 H new ATOM 0 HZ1 LYS A 43 -15.298 6.276 2.706 1.00 73.23 H new ATOM 0 HZ2 LYS A 43 -13.857 6.698 1.913 1.00 73.23 H new ATOM 0 HZ3 LYS A 43 -14.864 5.496 1.262 1.00 73.23 H new ATOM 712 N ASN A 44 -13.424 -0.430 4.517 1.00 62.24 N ATOM 713 CA ASN A 44 -14.386 -1.307 5.184 1.00 32.10 C ATOM 714 C ASN A 44 -13.726 -2.557 5.753 1.00 24.21 C ATOM 715 O ASN A 44 -14.072 -3.016 6.848 1.00 12.53 O ATOM 716 CB ASN A 44 -15.551 -1.667 4.245 1.00 73.43 C ATOM 717 CG ASN A 44 -16.546 -2.644 4.860 1.00 72.34 C ATOM 718 OD1 ASN A 44 -16.420 -3.860 4.706 1.00 34.21 O ATOM 719 ND2 ASN A 44 -17.534 -2.133 5.547 1.00 5.01 N ATOM 0 H ASN A 44 -13.412 -0.504 3.500 1.00 62.24 H new ATOM 0 HA ASN A 44 -14.793 -0.752 6.029 1.00 32.10 H new ATOM 0 HB2 ASN A 44 -16.076 -0.754 3.964 1.00 73.43 H new ATOM 0 HB3 ASN A 44 -15.149 -2.099 3.328 1.00 73.43 H new ATOM 0 HD21 ASN A 44 -18.229 -2.746 5.974 1.00 5.01 H new ATOM 0 HD22 ASN A 44 -17.610 -1.122 5.656 1.00 5.01 H new ATOM 726 N ASN A 45 -12.760 -3.082 5.038 1.00 11.51 N ATOM 727 CA ASN A 45 -12.095 -4.314 5.447 1.00 74.53 C ATOM 728 C ASN A 45 -10.985 -4.038 6.480 1.00 5.42 C ATOM 729 O ASN A 45 -10.626 -4.904 7.253 1.00 75.22 O ATOM 730 CB ASN A 45 -11.553 -5.061 4.212 1.00 33.12 C ATOM 731 CG ASN A 45 -10.952 -6.412 4.543 1.00 44.15 C ATOM 732 OD1 ASN A 45 -11.350 -7.064 5.496 1.00 45.22 O ATOM 733 ND2 ASN A 45 -10.009 -6.847 3.750 1.00 45.51 N ATOM 0 H ASN A 45 -12.411 -2.681 4.168 1.00 11.51 H new ATOM 0 HA ASN A 45 -12.828 -4.956 5.936 1.00 74.53 H new ATOM 0 HB2 ASN A 45 -12.362 -5.197 3.495 1.00 33.12 H new ATOM 0 HB3 ASN A 45 -10.797 -4.444 3.726 1.00 33.12 H new ATOM 0 HD21 ASN A 45 -9.581 -7.758 3.918 1.00 45.51 H new ATOM 0 HD22 ASN A 45 -9.701 -6.276 2.963 1.00 45.51 H new ATOM 740 N ASN A 46 -10.451 -2.813 6.455 1.00 42.31 N ATOM 741 CA ASN A 46 -9.405 -2.308 7.414 1.00 1.32 C ATOM 742 C ASN A 46 -8.057 -3.049 7.259 1.00 13.24 C ATOM 743 O ASN A 46 -7.128 -2.872 8.046 1.00 52.21 O ATOM 744 CB ASN A 46 -9.897 -2.380 8.877 1.00 60.15 C ATOM 745 CG ASN A 46 -9.050 -1.532 9.818 1.00 54.44 C ATOM 746 OD1 ASN A 46 -8.535 -0.480 9.425 1.00 71.15 O ATOM 747 ND2 ASN A 46 -8.888 -1.969 11.037 1.00 14.34 N ATOM 0 H ASN A 46 -10.724 -2.115 5.763 1.00 42.31 H new ATOM 0 HA ASN A 46 -9.234 -1.262 7.159 1.00 1.32 H new ATOM 0 HB2 ASN A 46 -10.934 -2.046 8.926 1.00 60.15 H new ATOM 0 HB3 ASN A 46 -9.880 -3.417 9.212 1.00 60.15 H new ATOM 0 HD21 ASN A 46 -8.322 -1.438 11.698 1.00 14.34 H new ATOM 0 HD22 ASN A 46 -9.328 -2.842 11.328 1.00 14.34 H new ATOM 754 N ARG A 47 -7.959 -3.852 6.242 1.00 73.40 N ATOM 755 CA ARG A 47 -6.760 -4.571 5.938 1.00 52.20 C ATOM 756 C ARG A 47 -5.750 -3.719 5.341 1.00 54.41 C ATOM 757 O ARG A 47 -6.044 -2.892 4.485 1.00 43.52 O ATOM 758 CB ARG A 47 -7.052 -5.722 5.041 1.00 25.02 C ATOM 759 CG ARG A 47 -7.262 -7.042 5.731 1.00 43.12 C ATOM 760 CD ARG A 47 -8.088 -6.976 6.996 1.00 63.31 C ATOM 761 NE ARG A 47 -7.366 -6.413 8.151 1.00 62.04 N ATOM 762 CZ ARG A 47 -7.939 -6.089 9.315 1.00 31.32 C ATOM 763 NH1 ARG A 47 -9.260 -6.163 9.451 1.00 54.42 N ATOM 764 NH2 ARG A 47 -7.194 -5.686 10.334 1.00 63.51 N ATOM 0 H ARG A 47 -8.723 -4.028 5.590 1.00 73.40 H new ATOM 0 HA ARG A 47 -6.363 -4.944 6.882 1.00 52.20 H new ATOM 0 HB2 ARG A 47 -7.944 -5.490 4.459 1.00 25.02 H new ATOM 0 HB3 ARG A 47 -6.229 -5.828 4.334 1.00 25.02 H new ATOM 0 HG2 ARG A 47 -7.746 -7.727 5.034 1.00 43.12 H new ATOM 0 HG3 ARG A 47 -6.288 -7.468 5.972 1.00 43.12 H new ATOM 0 HD2 ARG A 47 -8.977 -6.374 6.807 1.00 63.31 H new ATOM 0 HD3 ARG A 47 -8.430 -7.980 7.248 1.00 63.31 H new ATOM 0 HE ARG A 47 -6.362 -6.260 8.056 1.00 62.04 H new ATOM 0 HH11 ARG A 47 -9.837 -6.467 8.667 1.00 54.42 H new ATOM 0 HH12 ARG A 47 -9.696 -5.916 10.339 1.00 54.42 H new ATOM 0 HH21 ARG A 47 -6.181 -5.622 10.232 1.00 63.51 H new ATOM 0 HH22 ARG A 47 -7.633 -5.439 11.221 1.00 63.51 H new ATOM 778 N GLN A 48 -4.575 -3.908 5.777 1.00 61.44 N ATOM 779 CA GLN A 48 -3.500 -3.169 5.290 1.00 4.41 C ATOM 780 C GLN A 48 -2.706 -4.017 4.322 1.00 53.33 C ATOM 781 O GLN A 48 -2.167 -5.063 4.688 1.00 11.44 O ATOM 782 CB GLN A 48 -2.644 -2.656 6.421 1.00 40.35 C ATOM 783 CG GLN A 48 -1.608 -1.741 5.936 1.00 54.42 C ATOM 784 CD GLN A 48 -0.893 -1.010 7.023 1.00 65.41 C ATOM 785 OE1 GLN A 48 -1.309 0.082 7.424 1.00 2.11 O ATOM 786 NE2 GLN A 48 0.185 -1.571 7.498 1.00 35.41 N ATOM 0 H GLN A 48 -4.332 -4.592 6.494 1.00 61.44 H new ATOM 0 HA GLN A 48 -3.873 -2.295 4.756 1.00 4.41 H new ATOM 0 HB2 GLN A 48 -3.271 -2.144 7.150 1.00 40.35 H new ATOM 0 HB3 GLN A 48 -2.178 -3.496 6.936 1.00 40.35 H new ATOM 0 HG2 GLN A 48 -0.882 -2.306 5.352 1.00 54.42 H new ATOM 0 HG3 GLN A 48 -2.064 -1.016 5.262 1.00 54.42 H new ATOM 0 HE21 GLN A 48 0.491 -2.474 7.137 1.00 35.41 H new ATOM 0 HE22 GLN A 48 0.721 -1.106 8.231 1.00 35.41 H new ATOM 795 N VAL A 49 -2.647 -3.568 3.105 1.00 54.14 N ATOM 796 CA VAL A 49 -2.002 -4.279 2.033 1.00 14.43 C ATOM 797 C VAL A 49 -1.056 -3.350 1.303 1.00 73.14 C ATOM 798 O VAL A 49 -0.921 -2.175 1.666 1.00 25.41 O ATOM 799 CB VAL A 49 -3.041 -4.847 1.019 1.00 51.33 C ATOM 800 CG1 VAL A 49 -3.943 -5.876 1.683 1.00 31.43 C ATOM 801 CG2 VAL A 49 -3.879 -3.718 0.411 1.00 34.31 C ATOM 0 H VAL A 49 -3.054 -2.677 2.819 1.00 54.14 H new ATOM 0 HA VAL A 49 -1.452 -5.114 2.468 1.00 14.43 H new ATOM 0 HB VAL A 49 -2.491 -5.340 0.218 1.00 51.33 H new ATOM 0 HG11 VAL A 49 -4.659 -6.257 0.954 1.00 31.43 H new ATOM 0 HG12 VAL A 49 -3.338 -6.700 2.062 1.00 31.43 H new ATOM 0 HG13 VAL A 49 -4.480 -5.410 2.509 1.00 31.43 H new ATOM 0 HG21 VAL A 49 -4.597 -4.137 -0.294 1.00 34.31 H new ATOM 0 HG22 VAL A 49 -4.412 -3.193 1.204 1.00 34.31 H new ATOM 0 HG23 VAL A 49 -3.225 -3.019 -0.110 1.00 34.31 H new ATOM 811 N CYS A 50 -0.415 -3.853 0.297 1.00 34.22 N ATOM 812 CA CYS A 50 0.484 -3.055 -0.477 1.00 53.35 C ATOM 813 C CYS A 50 -0.094 -2.808 -1.853 1.00 53.11 C ATOM 814 O CYS A 50 -0.811 -3.646 -2.393 1.00 73.31 O ATOM 815 CB CYS A 50 1.850 -3.721 -0.578 1.00 41.32 C ATOM 816 SG CYS A 50 2.615 -4.072 1.049 1.00 50.23 S ATOM 0 H CYS A 50 -0.498 -4.822 -0.011 1.00 34.22 H new ATOM 0 HA CYS A 50 0.615 -2.096 0.024 1.00 53.35 H new ATOM 0 HB2 CYS A 50 1.750 -4.654 -1.132 1.00 41.32 H new ATOM 0 HB3 CYS A 50 2.517 -3.078 -1.153 1.00 41.32 H new ATOM 821 N ILE A 51 0.198 -1.671 -2.399 1.00 72.00 N ATOM 822 CA ILE A 51 -0.266 -1.298 -3.702 1.00 54.42 C ATOM 823 C ILE A 51 0.897 -1.256 -4.659 1.00 64.23 C ATOM 824 O ILE A 51 2.009 -0.870 -4.283 1.00 43.00 O ATOM 825 CB ILE A 51 -0.971 0.080 -3.704 1.00 71.12 C ATOM 826 CG1 ILE A 51 -2.117 0.094 -2.714 1.00 35.14 C ATOM 827 CG2 ILE A 51 -1.471 0.430 -5.092 1.00 35.41 C ATOM 828 CD1 ILE A 51 -2.980 1.351 -2.799 1.00 13.43 C ATOM 0 H ILE A 51 0.775 -0.962 -1.947 1.00 72.00 H new ATOM 0 HA ILE A 51 -0.995 -2.047 -4.013 1.00 54.42 H new ATOM 0 HB ILE A 51 -0.241 0.832 -3.403 1.00 71.12 H new ATOM 0 HG12 ILE A 51 -2.745 -0.780 -2.885 1.00 35.14 H new ATOM 0 HG13 ILE A 51 -1.716 0.006 -1.704 1.00 35.14 H new ATOM 0 HG21 ILE A 51 -1.963 1.403 -5.067 1.00 35.41 H new ATOM 0 HG22 ILE A 51 -0.629 0.466 -5.784 1.00 35.41 H new ATOM 0 HG23 ILE A 51 -2.181 -0.327 -5.425 1.00 35.41 H new ATOM 0 HD11 ILE A 51 -3.781 1.293 -2.062 1.00 13.43 H new ATOM 0 HD12 ILE A 51 -2.365 2.229 -2.599 1.00 13.43 H new ATOM 0 HD13 ILE A 51 -3.411 1.430 -3.797 1.00 13.43 H new ATOM 840 N ASP A 52 0.645 -1.670 -5.863 1.00 74.43 N ATOM 841 CA ASP A 52 1.636 -1.687 -6.902 1.00 43.45 C ATOM 842 C ASP A 52 1.790 -0.294 -7.499 1.00 73.41 C ATOM 843 O ASP A 52 0.797 0.342 -7.875 1.00 24.10 O ATOM 844 CB ASP A 52 1.217 -2.684 -7.954 1.00 33.14 C ATOM 845 CG ASP A 52 2.204 -2.834 -9.081 1.00 62.13 C ATOM 846 OD1 ASP A 52 3.117 -3.685 -8.975 1.00 14.23 O ATOM 847 OD2 ASP A 52 2.077 -2.139 -10.089 1.00 2.42 O ATOM 0 H ASP A 52 -0.269 -2.012 -6.159 1.00 74.43 H new ATOM 0 HA ASP A 52 2.603 -1.983 -6.494 1.00 43.45 H new ATOM 0 HB2 ASP A 52 1.070 -3.655 -7.482 1.00 33.14 H new ATOM 0 HB3 ASP A 52 0.254 -2.380 -8.365 1.00 33.14 H new ATOM 852 N PRO A 53 3.033 0.200 -7.592 1.00 22.04 N ATOM 853 CA PRO A 53 3.324 1.553 -8.079 1.00 53.21 C ATOM 854 C PRO A 53 2.955 1.788 -9.550 1.00 53.44 C ATOM 855 O PRO A 53 2.934 2.927 -10.006 1.00 72.44 O ATOM 856 CB PRO A 53 4.838 1.695 -7.884 1.00 53.04 C ATOM 857 CG PRO A 53 5.351 0.302 -7.849 1.00 53.15 C ATOM 858 CD PRO A 53 4.270 -0.515 -7.210 1.00 55.31 C ATOM 0 HA PRO A 53 2.728 2.287 -7.537 1.00 53.21 H new ATOM 0 HB2 PRO A 53 5.290 2.262 -8.698 1.00 53.04 H new ATOM 0 HB3 PRO A 53 5.069 2.225 -6.960 1.00 53.04 H new ATOM 0 HG2 PRO A 53 5.572 -0.059 -8.854 1.00 53.15 H new ATOM 0 HG3 PRO A 53 6.277 0.241 -7.278 1.00 53.15 H new ATOM 0 HD2 PRO A 53 4.271 -1.541 -7.577 1.00 55.31 H new ATOM 0 HD3 PRO A 53 4.389 -0.563 -6.128 1.00 55.31 H new ATOM 866 N LYS A 54 2.653 0.732 -10.284 1.00 65.13 N ATOM 867 CA LYS A 54 2.337 0.875 -11.686 1.00 65.11 C ATOM 868 C LYS A 54 0.854 1.086 -11.950 1.00 24.24 C ATOM 869 O LYS A 54 0.441 1.177 -13.110 1.00 10.44 O ATOM 870 CB LYS A 54 2.898 -0.284 -12.527 1.00 13.52 C ATOM 871 CG LYS A 54 4.435 -0.352 -12.656 1.00 20.31 C ATOM 872 CD LYS A 54 5.039 0.665 -13.674 1.00 72.32 C ATOM 873 CE LYS A 54 4.842 2.135 -13.305 1.00 12.15 C ATOM 874 NZ LYS A 54 5.471 3.046 -14.278 1.00 32.40 N ATOM 0 H LYS A 54 2.621 -0.225 -9.932 1.00 65.13 H new ATOM 0 HA LYS A 54 2.838 1.789 -12.006 1.00 65.11 H new ATOM 0 HB2 LYS A 54 2.549 -1.221 -12.094 1.00 13.52 H new ATOM 0 HB3 LYS A 54 2.473 -0.217 -13.528 1.00 13.52 H new ATOM 0 HG2 LYS A 54 4.878 -0.174 -11.676 1.00 20.31 H new ATOM 0 HG3 LYS A 54 4.719 -1.361 -12.956 1.00 20.31 H new ATOM 0 HD2 LYS A 54 6.107 0.469 -13.771 1.00 72.32 H new ATOM 0 HD3 LYS A 54 4.592 0.487 -14.652 1.00 72.32 H new ATOM 0 HE2 LYS A 54 3.776 2.352 -13.244 1.00 12.15 H new ATOM 0 HE3 LYS A 54 5.261 2.318 -12.316 1.00 12.15 H new ATOM 0 HZ1 LYS A 54 5.311 4.031 -13.985 1.00 32.40 H new ATOM 0 HZ2 LYS A 54 6.493 2.859 -14.318 1.00 32.40 H new ATOM 0 HZ3 LYS A 54 5.054 2.892 -15.218 1.00 32.40 H new ATOM 888 N LEU A 55 0.045 1.182 -10.899 1.00 34.42 N ATOM 889 CA LEU A 55 -1.353 1.454 -11.080 1.00 4.44 C ATOM 890 C LEU A 55 -1.566 2.836 -11.666 1.00 0.01 C ATOM 891 O LEU A 55 -0.846 3.775 -11.339 1.00 41.11 O ATOM 892 CB LEU A 55 -2.118 1.284 -9.791 1.00 71.25 C ATOM 893 CG LEU A 55 -2.286 -0.126 -9.275 1.00 53.21 C ATOM 894 CD1 LEU A 55 -3.127 -0.117 -8.022 1.00 71.44 C ATOM 895 CD2 LEU A 55 -2.938 -0.983 -10.321 1.00 24.42 C ATOM 0 H LEU A 55 0.341 1.075 -9.929 1.00 34.42 H new ATOM 0 HA LEU A 55 -1.743 0.725 -11.790 1.00 4.44 H new ATOM 0 HB2 LEU A 55 -1.617 1.870 -9.020 1.00 71.25 H new ATOM 0 HB3 LEU A 55 -3.110 1.716 -9.926 1.00 71.25 H new ATOM 0 HG LEU A 55 -1.304 -0.537 -9.043 1.00 53.21 H new ATOM 0 HD11 LEU A 55 -3.244 -1.137 -7.655 1.00 71.44 H new ATOM 0 HD12 LEU A 55 -2.637 0.489 -7.260 1.00 71.44 H new ATOM 0 HD13 LEU A 55 -4.108 0.303 -8.245 1.00 71.44 H new ATOM 0 HD21 LEU A 55 -3.055 -1.997 -9.939 1.00 24.42 H new ATOM 0 HD22 LEU A 55 -3.917 -0.573 -10.568 1.00 24.42 H new ATOM 0 HD23 LEU A 55 -2.316 -1.001 -11.216 1.00 24.42 H new ATOM 907 N LYS A 56 -2.564 2.951 -12.511 1.00 34.21 N ATOM 908 CA LYS A 56 -2.815 4.169 -13.264 1.00 34.45 C ATOM 909 C LYS A 56 -3.231 5.328 -12.356 1.00 12.34 C ATOM 910 O LYS A 56 -2.739 6.448 -12.504 1.00 1.02 O ATOM 911 CB LYS A 56 -3.856 3.900 -14.353 1.00 14.10 C ATOM 912 CG LYS A 56 -4.099 5.055 -15.307 1.00 21.13 C ATOM 913 CD LYS A 56 -5.065 4.647 -16.403 1.00 62.31 C ATOM 914 CE LYS A 56 -5.265 5.757 -17.421 1.00 11.01 C ATOM 915 NZ LYS A 56 -6.153 5.323 -18.515 1.00 73.44 N ATOM 0 H LYS A 56 -3.230 2.202 -12.700 1.00 34.21 H new ATOM 0 HA LYS A 56 -1.884 4.475 -13.741 1.00 34.45 H new ATOM 0 HB2 LYS A 56 -3.539 3.032 -14.931 1.00 14.10 H new ATOM 0 HB3 LYS A 56 -4.800 3.638 -13.875 1.00 14.10 H new ATOM 0 HG2 LYS A 56 -4.501 5.908 -14.760 1.00 21.13 H new ATOM 0 HG3 LYS A 56 -3.155 5.375 -15.747 1.00 21.13 H new ATOM 0 HD2 LYS A 56 -4.689 3.756 -16.906 1.00 62.31 H new ATOM 0 HD3 LYS A 56 -6.025 4.382 -15.961 1.00 62.31 H new ATOM 0 HE2 LYS A 56 -5.690 6.632 -16.930 1.00 11.01 H new ATOM 0 HE3 LYS A 56 -4.300 6.058 -17.830 1.00 11.01 H new ATOM 0 HZ1 LYS A 56 -6.272 6.101 -19.195 1.00 73.44 H new ATOM 0 HZ2 LYS A 56 -5.734 4.502 -18.997 1.00 73.44 H new ATOM 0 HZ3 LYS A 56 -7.081 5.059 -18.125 1.00 73.44 H new ATOM 929 N TRP A 57 -4.113 5.062 -11.396 1.00 24.51 N ATOM 930 CA TRP A 57 -4.524 6.119 -10.476 1.00 63.03 C ATOM 931 C TRP A 57 -3.378 6.442 -9.515 1.00 63.20 C ATOM 932 O TRP A 57 -3.231 7.573 -9.039 1.00 4.13 O ATOM 933 CB TRP A 57 -5.823 5.767 -9.724 1.00 22.33 C ATOM 934 CG TRP A 57 -5.752 4.603 -8.767 1.00 71.23 C ATOM 935 CD1 TRP A 57 -5.953 3.277 -9.038 1.00 43.40 C ATOM 936 CD2 TRP A 57 -5.491 4.684 -7.366 1.00 32.22 C ATOM 937 NE1 TRP A 57 -5.833 2.546 -7.894 1.00 23.22 N ATOM 938 CE2 TRP A 57 -5.551 3.379 -6.853 1.00 35.34 C ATOM 939 CE3 TRP A 57 -5.213 5.738 -6.498 1.00 71.22 C ATOM 940 CZ2 TRP A 57 -5.348 3.101 -5.512 1.00 43.01 C ATOM 941 CZ3 TRP A 57 -5.009 5.464 -5.164 1.00 1.12 C ATOM 942 CH2 TRP A 57 -5.080 4.158 -4.681 1.00 53.52 C ATOM 0 H TRP A 57 -4.546 4.152 -11.237 1.00 24.51 H new ATOM 0 HA TRP A 57 -4.750 7.011 -11.061 1.00 63.03 H new ATOM 0 HB2 TRP A 57 -6.144 6.647 -9.167 1.00 22.33 H new ATOM 0 HB3 TRP A 57 -6.598 5.556 -10.461 1.00 22.33 H new ATOM 0 HD1 TRP A 57 -6.174 2.870 -10.014 1.00 43.40 H new ATOM 0 HE1 TRP A 57 -5.938 1.534 -7.827 1.00 23.22 H new ATOM 0 HE3 TRP A 57 -5.158 6.752 -6.865 1.00 71.22 H new ATOM 0 HZ2 TRP A 57 -5.399 2.090 -5.135 1.00 43.01 H new ATOM 0 HZ3 TRP A 57 -4.791 6.272 -4.482 1.00 1.12 H new ATOM 0 HH2 TRP A 57 -4.920 3.975 -3.629 1.00 53.52 H new ATOM 953 N ILE A 58 -2.557 5.438 -9.274 1.00 40.03 N ATOM 954 CA ILE A 58 -1.371 5.563 -8.460 1.00 42.31 C ATOM 955 C ILE A 58 -0.376 6.497 -9.122 1.00 54.43 C ATOM 956 O ILE A 58 0.212 7.331 -8.463 1.00 23.33 O ATOM 957 CB ILE A 58 -0.748 4.168 -8.168 1.00 23.51 C ATOM 958 CG1 ILE A 58 -1.600 3.384 -7.171 1.00 40.45 C ATOM 959 CG2 ILE A 58 0.682 4.246 -7.709 1.00 54.40 C ATOM 960 CD1 ILE A 58 -1.731 4.054 -5.809 1.00 74.23 C ATOM 0 H ILE A 58 -2.701 4.499 -9.646 1.00 40.03 H new ATOM 0 HA ILE A 58 -1.649 5.998 -7.500 1.00 42.31 H new ATOM 0 HB ILE A 58 -0.739 3.631 -9.117 1.00 23.51 H new ATOM 0 HG12 ILE A 58 -2.595 3.242 -7.592 1.00 40.45 H new ATOM 0 HG13 ILE A 58 -1.166 2.393 -7.037 1.00 40.45 H new ATOM 0 HG21 ILE A 58 1.059 3.241 -7.522 1.00 54.40 H new ATOM 0 HG22 ILE A 58 1.286 4.723 -8.481 1.00 54.40 H new ATOM 0 HG23 ILE A 58 0.738 4.831 -6.791 1.00 54.40 H new ATOM 0 HD11 ILE A 58 -2.350 3.437 -5.158 1.00 74.23 H new ATOM 0 HD12 ILE A 58 -0.743 4.172 -5.365 1.00 74.23 H new ATOM 0 HD13 ILE A 58 -2.194 5.033 -5.928 1.00 74.23 H new ATOM 972 N GLN A 59 -0.225 6.372 -10.429 1.00 61.40 N ATOM 973 CA GLN A 59 0.637 7.267 -11.199 1.00 41.24 C ATOM 974 C GLN A 59 0.272 8.719 -10.935 1.00 52.34 C ATOM 975 O GLN A 59 1.137 9.545 -10.634 1.00 41.41 O ATOM 976 CB GLN A 59 0.515 6.982 -12.680 1.00 51.44 C ATOM 977 CG GLN A 59 1.101 5.661 -13.141 1.00 2.21 C ATOM 978 CD GLN A 59 2.593 5.597 -12.912 1.00 51.12 C ATOM 979 OE1 GLN A 59 3.375 6.009 -13.767 1.00 65.50 O ATOM 980 NE2 GLN A 59 3.005 5.064 -11.800 1.00 11.35 N ATOM 0 H GLN A 59 -0.690 5.656 -10.987 1.00 61.40 H new ATOM 0 HA GLN A 59 1.666 7.092 -10.884 1.00 41.24 H new ATOM 0 HB2 GLN A 59 -0.540 7.006 -12.951 1.00 51.44 H new ATOM 0 HB3 GLN A 59 1.003 7.787 -13.229 1.00 51.44 H new ATOM 0 HG2 GLN A 59 0.616 4.843 -12.608 1.00 2.21 H new ATOM 0 HG3 GLN A 59 0.890 5.520 -14.201 1.00 2.21 H new ATOM 0 HE21 GLN A 59 2.329 4.732 -11.112 1.00 11.35 H new ATOM 0 HE22 GLN A 59 4.004 4.977 -11.616 1.00 11.35 H new ATOM 989 N GLU A 60 -1.018 9.010 -11.014 1.00 33.44 N ATOM 990 CA GLU A 60 -1.517 10.341 -10.744 1.00 4.01 C ATOM 991 C GLU A 60 -1.253 10.745 -9.307 1.00 50.40 C ATOM 992 O GLU A 60 -0.866 11.893 -9.035 1.00 75.40 O ATOM 993 CB GLU A 60 -3.003 10.431 -11.040 1.00 72.10 C ATOM 994 CG GLU A 60 -3.348 10.289 -12.501 1.00 42.10 C ATOM 995 CD GLU A 60 -2.704 11.364 -13.345 1.00 24.41 C ATOM 996 OE1 GLU A 60 -3.200 12.515 -13.342 1.00 42.11 O ATOM 997 OE2 GLU A 60 -1.692 11.078 -14.026 1.00 73.23 O ATOM 0 H GLU A 60 -1.739 8.334 -11.265 1.00 33.44 H new ATOM 0 HA GLU A 60 -0.984 11.029 -11.400 1.00 4.01 H new ATOM 0 HB2 GLU A 60 -3.522 9.655 -10.478 1.00 72.10 H new ATOM 0 HB3 GLU A 60 -3.377 11.390 -10.681 1.00 72.10 H new ATOM 0 HG2 GLU A 60 -3.026 9.310 -12.855 1.00 42.10 H new ATOM 0 HG3 GLU A 60 -4.430 10.333 -12.623 1.00 42.10 H new ATOM 1004 N TYR A 61 -1.449 9.810 -8.394 1.00 55.23 N ATOM 1005 CA TYR A 61 -1.242 10.071 -6.989 1.00 3.42 C ATOM 1006 C TYR A 61 0.234 10.368 -6.686 1.00 62.52 C ATOM 1007 O TYR A 61 0.537 11.281 -5.935 1.00 52.11 O ATOM 1008 CB TYR A 61 -1.766 8.915 -6.123 1.00 22.13 C ATOM 1009 CG TYR A 61 -1.672 9.191 -4.639 1.00 31.33 C ATOM 1010 CD1 TYR A 61 -2.584 10.030 -4.016 1.00 44.44 C ATOM 1011 CD2 TYR A 61 -0.668 8.627 -3.863 1.00 23.20 C ATOM 1012 CE1 TYR A 61 -2.501 10.301 -2.672 1.00 72.33 C ATOM 1013 CE2 TYR A 61 -0.580 8.887 -2.514 1.00 33.13 C ATOM 1014 CZ TYR A 61 -1.501 9.731 -1.922 1.00 2.25 C ATOM 1015 OH TYR A 61 -1.419 10.009 -0.571 1.00 74.24 O ATOM 0 H TYR A 61 -1.753 8.860 -8.607 1.00 55.23 H new ATOM 0 HA TYR A 61 -1.816 10.962 -6.734 1.00 3.42 H new ATOM 0 HB2 TYR A 61 -2.806 8.717 -6.384 1.00 22.13 H new ATOM 0 HB3 TYR A 61 -1.202 8.012 -6.354 1.00 22.13 H new ATOM 0 HD1 TYR A 61 -3.375 10.479 -4.599 1.00 44.44 H new ATOM 0 HD2 TYR A 61 0.056 7.973 -4.326 1.00 23.20 H new ATOM 0 HE1 TYR A 61 -3.219 10.960 -2.207 1.00 72.33 H new ATOM 0 HE2 TYR A 61 0.203 8.435 -1.923 1.00 33.13 H new ATOM 0 HH TYR A 61 -0.658 9.528 -0.184 1.00 74.24 H new ATOM 1025 N LEU A 62 1.138 9.608 -7.284 1.00 44.22 N ATOM 1026 CA LEU A 62 2.577 9.821 -7.079 1.00 1.23 C ATOM 1027 C LEU A 62 3.075 11.057 -7.767 1.00 15.21 C ATOM 1028 O LEU A 62 4.008 11.687 -7.302 1.00 15.32 O ATOM 1029 CB LEU A 62 3.434 8.609 -7.466 1.00 30.14 C ATOM 1030 CG LEU A 62 3.503 7.458 -6.449 1.00 12.33 C ATOM 1031 CD1 LEU A 62 2.147 6.883 -6.158 1.00 74.32 C ATOM 1032 CD2 LEU A 62 4.445 6.386 -6.937 1.00 22.34 C ATOM 0 H LEU A 62 0.910 8.839 -7.914 1.00 44.22 H new ATOM 0 HA LEU A 62 2.689 9.961 -6.004 1.00 1.23 H new ATOM 0 HB2 LEU A 62 3.054 8.210 -8.406 1.00 30.14 H new ATOM 0 HB3 LEU A 62 4.449 8.957 -7.655 1.00 30.14 H new ATOM 0 HG LEU A 62 3.885 7.866 -5.513 1.00 12.33 H new ATOM 0 HD11 LEU A 62 2.243 6.073 -5.435 1.00 74.32 H new ATOM 0 HD12 LEU A 62 1.502 7.661 -5.748 1.00 74.32 H new ATOM 0 HD13 LEU A 62 1.710 6.497 -7.079 1.00 74.32 H new ATOM 0 HD21 LEU A 62 4.485 5.577 -6.208 1.00 22.34 H new ATOM 0 HD22 LEU A 62 4.090 5.997 -7.892 1.00 22.34 H new ATOM 0 HD23 LEU A 62 5.442 6.808 -7.065 1.00 22.34 H new ATOM 1044 N GLU A 63 2.451 11.410 -8.867 1.00 74.22 N ATOM 1045 CA GLU A 63 2.798 12.602 -9.585 1.00 13.25 C ATOM 1046 C GLU A 63 2.467 13.777 -8.681 1.00 64.32 C ATOM 1047 O GLU A 63 3.259 14.699 -8.493 1.00 40.14 O ATOM 1048 CB GLU A 63 1.971 12.652 -10.860 1.00 12.43 C ATOM 1049 CG GLU A 63 2.302 13.786 -11.770 1.00 2.21 C ATOM 1050 CD GLU A 63 3.722 13.732 -12.268 1.00 73.42 C ATOM 1051 OE1 GLU A 63 4.027 12.870 -13.115 1.00 34.31 O ATOM 1052 OE2 GLU A 63 4.555 14.544 -11.816 1.00 5.12 O ATOM 0 H GLU A 63 1.689 10.875 -9.285 1.00 74.22 H new ATOM 0 HA GLU A 63 3.854 12.628 -9.856 1.00 13.25 H new ATOM 0 HB2 GLU A 63 2.107 11.716 -11.403 1.00 12.43 H new ATOM 0 HB3 GLU A 63 0.916 12.715 -10.591 1.00 12.43 H new ATOM 0 HG2 GLU A 63 1.621 13.775 -12.621 1.00 2.21 H new ATOM 0 HG3 GLU A 63 2.140 14.728 -11.245 1.00 2.21 H new ATOM 1059 N LYS A 64 1.294 13.691 -8.106 1.00 14.41 N ATOM 1060 CA LYS A 64 0.816 14.619 -7.126 1.00 61.45 C ATOM 1061 C LYS A 64 1.756 14.680 -5.919 1.00 11.22 C ATOM 1062 O LYS A 64 2.414 15.668 -5.698 1.00 53.31 O ATOM 1063 CB LYS A 64 -0.556 14.153 -6.661 1.00 61.01 C ATOM 1064 CG LYS A 64 -1.028 14.786 -5.389 1.00 4.14 C ATOM 1065 CD LYS A 64 -1.351 16.258 -5.541 1.00 53.13 C ATOM 1066 CE LYS A 64 -1.730 16.859 -4.201 1.00 55.41 C ATOM 1067 NZ LYS A 64 -0.636 16.722 -3.210 1.00 41.25 N ATOM 0 H LYS A 64 0.628 12.948 -8.317 1.00 14.41 H new ATOM 0 HA LYS A 64 0.766 15.613 -7.571 1.00 61.45 H new ATOM 0 HB2 LYS A 64 -1.282 14.361 -7.447 1.00 61.01 H new ATOM 0 HB3 LYS A 64 -0.532 13.072 -6.527 1.00 61.01 H new ATOM 0 HG2 LYS A 64 -1.915 14.260 -5.036 1.00 4.14 H new ATOM 0 HG3 LYS A 64 -0.261 14.666 -4.624 1.00 4.14 H new ATOM 0 HD2 LYS A 64 -0.490 16.785 -5.952 1.00 53.13 H new ATOM 0 HD3 LYS A 64 -2.170 16.386 -6.248 1.00 53.13 H new ATOM 0 HE2 LYS A 64 -1.974 17.913 -4.331 1.00 55.41 H new ATOM 0 HE3 LYS A 64 -2.627 16.369 -3.823 1.00 55.41 H new ATOM 0 HZ1 LYS A 64 -0.809 17.365 -2.411 1.00 41.25 H new ATOM 0 HZ2 LYS A 64 -0.601 15.742 -2.865 1.00 41.25 H new ATOM 0 HZ3 LYS A 64 0.271 16.964 -3.658 1.00 41.25 H new ATOM 1081 N ALA A 65 1.806 13.595 -5.183 1.00 10.11 N ATOM 1082 CA ALA A 65 2.568 13.496 -3.924 1.00 51.24 C ATOM 1083 C ALA A 65 4.057 13.848 -4.054 1.00 24.03 C ATOM 1084 O ALA A 65 4.647 14.398 -3.112 1.00 42.15 O ATOM 1085 CB ALA A 65 2.411 12.107 -3.322 1.00 21.25 C ATOM 0 H ALA A 65 1.317 12.735 -5.430 1.00 10.11 H new ATOM 0 HA ALA A 65 2.141 14.249 -3.261 1.00 51.24 H new ATOM 0 HB1 ALA A 65 2.978 12.047 -2.393 1.00 21.25 H new ATOM 0 HB2 ALA A 65 1.358 11.916 -3.117 1.00 21.25 H new ATOM 0 HB3 ALA A 65 2.785 11.362 -4.024 1.00 21.25 H new ATOM 1091 N LEU A 66 4.662 13.546 -5.183 1.00 21.00 N ATOM 1092 CA LEU A 66 6.076 13.826 -5.353 1.00 60.31 C ATOM 1093 C LEU A 66 6.335 15.232 -5.893 1.00 64.23 C ATOM 1094 O LEU A 66 7.281 15.897 -5.457 1.00 43.54 O ATOM 1095 CB LEU A 66 6.753 12.769 -6.230 1.00 45.44 C ATOM 1096 CG LEU A 66 6.707 11.326 -5.700 1.00 64.50 C ATOM 1097 CD1 LEU A 66 7.373 10.376 -6.678 1.00 34.04 C ATOM 1098 CD2 LEU A 66 7.366 11.225 -4.328 1.00 4.03 C ATOM 0 H LEU A 66 4.207 13.113 -5.987 1.00 21.00 H new ATOM 0 HA LEU A 66 6.521 13.781 -4.359 1.00 60.31 H new ATOM 0 HB2 LEU A 66 6.286 12.789 -7.215 1.00 45.44 H new ATOM 0 HB3 LEU A 66 7.797 13.052 -6.366 1.00 45.44 H new ATOM 0 HG LEU A 66 5.660 11.040 -5.596 1.00 64.50 H new ATOM 0 HD11 LEU A 66 7.330 9.360 -6.285 1.00 34.04 H new ATOM 0 HD12 LEU A 66 6.854 10.417 -7.636 1.00 34.04 H new ATOM 0 HD13 LEU A 66 8.414 10.668 -6.817 1.00 34.04 H new ATOM 0 HD21 LEU A 66 7.319 10.194 -3.977 1.00 4.03 H new ATOM 0 HD22 LEU A 66 8.408 11.537 -4.401 1.00 4.03 H new ATOM 0 HD23 LEU A 66 6.842 11.872 -3.624 1.00 4.03 H new ATOM 1110 N ASN A 67 5.511 15.695 -6.822 1.00 54.13 N ATOM 1111 CA ASN A 67 5.733 17.015 -7.410 1.00 0.02 C ATOM 1112 C ASN A 67 5.091 18.105 -6.560 1.00 43.50 C ATOM 1113 O ASN A 67 5.713 19.128 -6.261 1.00 71.32 O ATOM 1114 CB ASN A 67 5.201 17.061 -8.873 1.00 12.01 C ATOM 1115 CG ASN A 67 5.488 18.368 -9.641 1.00 63.32 C ATOM 1116 OD1 ASN A 67 5.557 19.468 -9.078 1.00 23.31 O ATOM 1117 ND2 ASN A 67 5.655 18.247 -10.935 1.00 45.44 N ATOM 0 H ASN A 67 4.699 15.192 -7.181 1.00 54.13 H new ATOM 0 HA ASN A 67 6.807 17.201 -7.434 1.00 0.02 H new ATOM 0 HB2 ASN A 67 5.639 16.231 -9.427 1.00 12.01 H new ATOM 0 HB3 ASN A 67 4.123 16.899 -8.855 1.00 12.01 H new ATOM 0 HD21 ASN A 67 5.847 19.072 -11.504 1.00 45.44 H new ATOM 0 HD22 ASN A 67 5.593 17.328 -11.374 1.00 45.44 H new ATOM 1124 N LYS A 68 3.882 17.883 -6.136 1.00 54.30 N ATOM 1125 CA LYS A 68 3.149 18.894 -5.435 1.00 73.21 C ATOM 1126 C LYS A 68 2.729 18.374 -4.065 1.00 25.44 C ATOM 1127 O LYS A 68 3.574 18.376 -3.141 1.00 38.65 O ATOM 1128 CB LYS A 68 1.936 19.284 -6.271 1.00 20.33 C ATOM 1129 CG LYS A 68 1.186 20.504 -5.784 1.00 2.11 C ATOM 1130 CD LYS A 68 0.019 20.803 -6.699 1.00 34.32 C ATOM 1131 CE LYS A 68 0.467 21.117 -8.131 1.00 50.50 C ATOM 1132 NZ LYS A 68 -0.678 21.382 -9.038 1.00 12.21 N ATOM 1133 OXT LYS A 68 1.557 17.990 -3.886 1.00 38.65 O ATOM 0 H LYS A 68 3.380 17.004 -6.265 1.00 54.30 H new ATOM 0 HA LYS A 68 3.772 19.775 -5.280 1.00 73.21 H new ATOM 0 HB2 LYS A 68 2.263 19.463 -7.295 1.00 20.33 H new ATOM 0 HB3 LYS A 68 1.247 18.440 -6.299 1.00 20.33 H new ATOM 0 HG2 LYS A 68 0.827 20.337 -4.768 1.00 2.11 H new ATOM 0 HG3 LYS A 68 1.858 21.362 -5.748 1.00 2.11 H new ATOM 0 HD2 LYS A 68 -0.658 19.949 -6.712 1.00 34.32 H new ATOM 0 HD3 LYS A 68 -0.543 21.649 -6.303 1.00 34.32 H new ATOM 0 HE2 LYS A 68 1.127 21.985 -8.120 1.00 50.50 H new ATOM 0 HE3 LYS A 68 1.048 20.280 -8.519 1.00 50.50 H new ATOM 0 HZ1 LYS A 68 -0.323 21.589 -9.993 1.00 12.21 H new ATOM 0 HZ2 LYS A 68 -1.295 20.546 -9.071 1.00 12.21 H new ATOM 0 HZ3 LYS A 68 -1.219 22.197 -8.685 1.00 12.21 H new TER 1147 LYS A 68