USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 24 LYS NZ :NH3+ -139:sc= 0.536 (180deg=-0.685) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.852 K(o=1.4,f=-4.4) USER MOD Set 2.1: A 31 THR OG1 : rot 15:sc= -0.58! USER MOD Set 2.2: A 37 GLN : amide:sc= -0.221 K(o=-0.8,f=-2.2) USER MOD Set 3.1: A 22 ASN : amide:sc= 0.479 K(o=0.88,f=-6.1!) USER MOD Set 3.2: A 44 ASN : amide:sc= 0.401 K(o=0.88,f=-13!) USER MOD Single : A 1 LYS N :NH3+ -135:sc= 0.0478 (180deg=-0.0551) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -120:sc= 0 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 15:sc= 0.889 USER MOD Single : A 17 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.22) USER MOD Single : A 25 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.4!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.85) 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 :FLIP amide:sc= 0.195 F(o=-0.32,f=0.19) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0428 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.09) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -19.133 -7.710 6.314 1.00 41.43 N ATOM 2 CA LYS A 1 -19.114 -8.479 5.074 1.00 64.23 C ATOM 3 C LYS A 1 -17.675 -8.714 4.684 1.00 41.44 C ATOM 4 O LYS A 1 -16.800 -7.927 5.064 1.00 10.40 O ATOM 5 CB LYS A 1 -19.789 -7.699 3.937 1.00 64.02 C ATOM 6 CG LYS A 1 -21.223 -7.306 4.186 1.00 1.34 C ATOM 7 CD LYS A 1 -21.773 -6.544 2.998 1.00 21.24 C ATOM 8 CE LYS A 1 -23.212 -6.135 3.218 1.00 53.31 C ATOM 9 NZ LYS A 1 -23.774 -5.427 2.045 1.00 51.24 N ATOM 0 H1 LYS A 1 -19.828 -8.123 6.968 1.00 41.43 H new ATOM 0 H2 LYS A 1 -18.190 -7.733 6.751 1.00 41.43 H new ATOM 0 H3 LYS A 1 -19.395 -6.725 6.108 1.00 41.43 H new ATOM 0 HA LYS A 1 -19.648 -9.416 5.233 1.00 64.23 H new ATOM 0 HB2 LYS A 1 -19.210 -6.795 3.745 1.00 64.02 H new ATOM 0 HB3 LYS A 1 -19.747 -8.303 3.030 1.00 64.02 H new ATOM 0 HG2 LYS A 1 -21.825 -8.197 4.366 1.00 1.34 H new ATOM 0 HG3 LYS A 1 -21.288 -6.691 5.083 1.00 1.34 H new ATOM 0 HD2 LYS A 1 -21.165 -5.657 2.821 1.00 21.24 H new ATOM 0 HD3 LYS A 1 -21.703 -7.163 2.104 1.00 21.24 H new ATOM 0 HE2 LYS A 1 -23.812 -7.020 3.429 1.00 53.31 H new ATOM 0 HE3 LYS A 1 -23.276 -5.491 4.095 1.00 53.31 H new ATOM 0 HZ1 LYS A 1 -24.762 -5.165 2.238 1.00 51.24 H new ATOM 0 HZ2 LYS A 1 -23.218 -4.568 1.859 1.00 51.24 H new ATOM 0 HZ3 LYS A 1 -23.738 -6.050 1.213 1.00 51.24 H new ATOM 23 N PRO A 2 -17.379 -9.789 3.946 1.00 45.11 N ATOM 24 CA PRO A 2 -16.050 -10.024 3.434 1.00 21.11 C ATOM 25 C PRO A 2 -15.799 -9.133 2.212 1.00 12.22 C ATOM 26 O PRO A 2 -16.252 -9.431 1.107 1.00 50.35 O ATOM 27 CB PRO A 2 -16.058 -11.515 3.029 1.00 73.14 C ATOM 28 CG PRO A 2 -17.382 -12.046 3.482 1.00 70.02 C ATOM 29 CD PRO A 2 -18.293 -10.868 3.572 1.00 34.42 C ATOM 0 HA PRO A 2 -15.267 -9.797 4.158 1.00 21.11 H new ATOM 0 HB2 PRO A 2 -15.937 -11.630 1.952 1.00 73.14 H new ATOM 0 HB3 PRO A 2 -15.237 -12.054 3.501 1.00 73.14 H new ATOM 0 HG2 PRO A 2 -17.767 -12.783 2.778 1.00 70.02 H new ATOM 0 HG3 PRO A 2 -17.292 -12.544 4.448 1.00 70.02 H new ATOM 0 HD2 PRO A 2 -18.792 -10.667 2.624 1.00 34.42 H new ATOM 0 HD3 PRO A 2 -19.074 -11.015 4.318 1.00 34.42 H new ATOM 37 N VAL A 3 -15.143 -8.020 2.428 1.00 33.11 N ATOM 38 CA VAL A 3 -14.896 -7.058 1.371 1.00 42.24 C ATOM 39 C VAL A 3 -13.438 -7.109 0.945 1.00 52.05 C ATOM 40 O VAL A 3 -12.539 -7.117 1.804 1.00 4.43 O ATOM 41 CB VAL A 3 -15.268 -5.611 1.823 1.00 12.41 C ATOM 42 CG1 VAL A 3 -15.025 -4.603 0.709 1.00 42.01 C ATOM 43 CG2 VAL A 3 -16.719 -5.549 2.285 1.00 70.31 C ATOM 0 H VAL A 3 -14.764 -7.752 3.336 1.00 33.11 H new ATOM 0 HA VAL A 3 -15.528 -7.322 0.523 1.00 42.24 H new ATOM 0 HB VAL A 3 -14.622 -5.350 2.661 1.00 12.41 H new ATOM 0 HG11 VAL A 3 -15.294 -3.605 1.056 1.00 42.01 H new ATOM 0 HG12 VAL A 3 -13.972 -4.618 0.428 1.00 42.01 H new ATOM 0 HG13 VAL A 3 -15.635 -4.863 -0.156 1.00 42.01 H new ATOM 0 HG21 VAL A 3 -16.959 -4.532 2.596 1.00 70.31 H new ATOM 0 HG22 VAL A 3 -17.375 -5.842 1.465 1.00 70.31 H new ATOM 0 HG23 VAL A 3 -16.863 -6.229 3.125 1.00 70.31 H new ATOM 53 N SER A 4 -13.225 -7.163 -0.372 1.00 74.21 N ATOM 54 CA SER A 4 -11.904 -7.223 -0.986 1.00 32.34 C ATOM 55 C SER A 4 -11.163 -8.486 -0.547 1.00 62.24 C ATOM 56 O SER A 4 -10.416 -8.484 0.432 1.00 30.22 O ATOM 57 CB SER A 4 -11.092 -5.949 -0.687 1.00 11.10 C ATOM 58 OG SER A 4 -11.807 -4.783 -1.090 1.00 13.02 O ATOM 0 H SER A 4 -13.985 -7.166 -1.052 1.00 74.21 H new ATOM 0 HA SER A 4 -12.031 -7.274 -2.067 1.00 32.34 H new ATOM 0 HB2 SER A 4 -10.872 -5.895 0.379 1.00 11.10 H new ATOM 0 HB3 SER A 4 -10.136 -5.992 -1.208 1.00 11.10 H new ATOM 0 HG SER A 4 -11.285 -4.294 -1.760 1.00 13.02 H new ATOM 64 N LEU A 5 -11.418 -9.566 -1.244 1.00 65.24 N ATOM 65 CA LEU A 5 -10.859 -10.853 -0.891 1.00 11.33 C ATOM 66 C LEU A 5 -9.478 -11.057 -1.493 1.00 64.24 C ATOM 67 O LEU A 5 -8.968 -10.171 -2.194 1.00 31.43 O ATOM 68 CB LEU A 5 -11.815 -11.966 -1.297 1.00 30.44 C ATOM 69 CG LEU A 5 -13.215 -11.869 -0.686 1.00 53.34 C ATOM 70 CD1 LEU A 5 -14.079 -13.028 -1.116 1.00 62.25 C ATOM 71 CD2 LEU A 5 -13.135 -11.797 0.827 1.00 10.11 C ATOM 0 H LEU A 5 -12.017 -9.581 -2.070 1.00 65.24 H new ATOM 0 HA LEU A 5 -10.733 -10.882 0.191 1.00 11.33 H new ATOM 0 HB2 LEU A 5 -11.908 -11.967 -2.383 1.00 30.44 H new ATOM 0 HB3 LEU A 5 -11.376 -12.923 -1.014 1.00 30.44 H new ATOM 0 HG LEU A 5 -13.676 -10.952 -1.052 1.00 53.34 H new ATOM 0 HD11 LEU A 5 -15.067 -12.932 -0.666 1.00 62.25 H new ATOM 0 HD12 LEU A 5 -14.173 -13.028 -2.202 1.00 62.25 H new ATOM 0 HD13 LEU A 5 -13.622 -13.963 -0.791 1.00 62.25 H new ATOM 0 HD21 LEU A 5 -14.141 -11.729 1.242 1.00 10.11 H new ATOM 0 HD22 LEU A 5 -12.645 -12.693 1.209 1.00 10.11 H new ATOM 0 HD23 LEU A 5 -12.561 -10.918 1.120 1.00 10.11 H new ATOM 83 N SER A 6 -8.890 -12.233 -1.220 1.00 73.24 N ATOM 84 CA SER A 6 -7.513 -12.587 -1.617 1.00 11.34 C ATOM 85 C SER A 6 -6.526 -11.753 -0.793 1.00 71.00 C ATOM 86 O SER A 6 -6.949 -11.062 0.150 1.00 61.14 O ATOM 87 CB SER A 6 -7.319 -12.396 -3.131 1.00 52.31 C ATOM 88 OG SER A 6 -8.316 -13.128 -3.844 1.00 65.44 O ATOM 0 H SER A 6 -9.364 -12.978 -0.709 1.00 73.24 H new ATOM 0 HA SER A 6 -7.324 -13.641 -1.411 1.00 11.34 H new ATOM 0 HB2 SER A 6 -7.382 -11.338 -3.384 1.00 52.31 H new ATOM 0 HB3 SER A 6 -6.326 -12.736 -3.425 1.00 52.31 H new ATOM 0 HG SER A 6 -8.189 -13.001 -4.807 1.00 65.44 H new ATOM 94 N TYR A 7 -5.243 -11.827 -1.078 1.00 63.34 N ATOM 95 CA TYR A 7 -4.315 -11.015 -0.330 1.00 33.44 C ATOM 96 C TYR A 7 -4.365 -9.610 -0.854 1.00 1.21 C ATOM 97 O TYR A 7 -3.864 -9.310 -1.955 1.00 55.14 O ATOM 98 CB TYR A 7 -2.866 -11.540 -0.360 1.00 71.44 C ATOM 99 CG TYR A 7 -1.941 -10.767 0.593 1.00 32.23 C ATOM 100 CD1 TYR A 7 -1.330 -9.573 0.215 1.00 62.10 C ATOM 101 CD2 TYR A 7 -1.700 -11.234 1.877 1.00 75.44 C ATOM 102 CE1 TYR A 7 -0.514 -8.873 1.090 1.00 62.21 C ATOM 103 CE2 TYR A 7 -0.885 -10.544 2.752 1.00 12.03 C ATOM 104 CZ TYR A 7 -0.296 -9.366 2.359 1.00 32.40 C ATOM 105 OH TYR A 7 0.516 -8.667 3.248 1.00 43.41 O ATOM 0 H TYR A 7 -4.831 -12.421 -1.798 1.00 63.34 H new ATOM 0 HA TYR A 7 -4.625 -11.054 0.714 1.00 33.44 H new ATOM 0 HB2 TYR A 7 -2.860 -12.596 -0.090 1.00 71.44 H new ATOM 0 HB3 TYR A 7 -2.478 -11.468 -1.376 1.00 71.44 H new ATOM 0 HD1 TYR A 7 -1.495 -9.185 -0.779 1.00 62.10 H new ATOM 0 HD2 TYR A 7 -2.160 -12.157 2.199 1.00 75.44 H new ATOM 0 HE1 TYR A 7 -0.052 -7.947 0.780 1.00 62.21 H new ATOM 0 HE2 TYR A 7 -0.710 -10.930 3.745 1.00 12.03 H new ATOM 0 HH TYR A 7 0.563 -9.152 4.098 1.00 43.41 H new ATOM 115 N ARG A 8 -4.997 -8.770 -0.111 1.00 24.54 N ATOM 116 CA ARG A 8 -5.076 -7.394 -0.437 1.00 44.04 C ATOM 117 C ARG A 8 -4.019 -6.651 0.302 1.00 50.12 C ATOM 118 O ARG A 8 -4.047 -6.553 1.532 1.00 71.23 O ATOM 119 CB ARG A 8 -6.474 -6.843 -0.170 1.00 22.30 C ATOM 120 CG ARG A 8 -7.520 -7.475 -1.062 1.00 44.22 C ATOM 121 CD ARG A 8 -7.245 -7.162 -2.529 1.00 52.24 C ATOM 122 NE ARG A 8 -8.128 -7.897 -3.424 1.00 30.31 N ATOM 123 CZ ARG A 8 -8.315 -7.613 -4.715 1.00 25.25 C ATOM 124 NH1 ARG A 8 -7.751 -6.537 -5.263 1.00 21.12 N ATOM 125 NH2 ARG A 8 -9.076 -8.395 -5.452 1.00 41.23 N ATOM 0 H ARG A 8 -5.479 -9.025 0.751 1.00 24.54 H new ATOM 0 HA ARG A 8 -4.898 -7.262 -1.504 1.00 44.04 H new ATOM 0 HB2 ARG A 8 -6.737 -7.016 0.874 1.00 22.30 H new ATOM 0 HB3 ARG A 8 -6.472 -5.764 -0.324 1.00 22.30 H new ATOM 0 HG2 ARG A 8 -7.528 -8.555 -0.912 1.00 44.22 H new ATOM 0 HG3 ARG A 8 -8.509 -7.108 -0.787 1.00 44.22 H new ATOM 0 HD2 ARG A 8 -7.367 -6.092 -2.699 1.00 52.24 H new ATOM 0 HD3 ARG A 8 -6.209 -7.406 -2.763 1.00 52.24 H new ATOM 0 HE ARG A 8 -8.642 -8.688 -3.035 1.00 30.31 H new ATOM 0 HH11 ARG A 8 -7.170 -5.921 -4.695 1.00 21.12 H new ATOM 0 HH12 ARG A 8 -7.901 -6.330 -6.250 1.00 21.12 H new ATOM 0 HH21 ARG A 8 -9.520 -9.214 -5.036 1.00 41.23 H new ATOM 0 HH22 ARG A 8 -9.222 -8.182 -6.439 1.00 41.23 H new ATOM 139 N CYS A 9 -3.066 -6.180 -0.448 1.00 3.31 N ATOM 140 CA CYS A 9 -1.938 -5.454 0.056 1.00 41.01 C ATOM 141 C CYS A 9 -2.431 -4.155 0.724 1.00 33.13 C ATOM 142 O CYS A 9 -3.501 -3.656 0.354 1.00 41.44 O ATOM 143 CB CYS A 9 -0.997 -5.173 -1.124 1.00 60.24 C ATOM 144 SG CYS A 9 -0.606 -6.684 -2.098 1.00 43.43 S ATOM 0 H CYS A 9 -3.053 -6.295 -1.461 1.00 3.31 H new ATOM 0 HA CYS A 9 -1.396 -6.024 0.810 1.00 41.01 H new ATOM 0 HB2 CYS A 9 -1.455 -4.432 -1.779 1.00 60.24 H new ATOM 0 HB3 CYS A 9 -0.071 -4.738 -0.749 1.00 60.24 H new ATOM 149 N PRO A 10 -1.661 -3.625 1.728 1.00 31.45 N ATOM 150 CA PRO A 10 -2.002 -2.445 2.559 1.00 72.24 C ATOM 151 C PRO A 10 -3.001 -1.434 1.952 1.00 54.41 C ATOM 152 O PRO A 10 -4.026 -1.131 2.557 1.00 34.44 O ATOM 153 CB PRO A 10 -0.643 -1.798 2.761 1.00 32.45 C ATOM 154 CG PRO A 10 0.344 -2.939 2.752 1.00 54.32 C ATOM 155 CD PRO A 10 -0.358 -4.152 2.159 1.00 12.02 C ATOM 0 HA PRO A 10 -2.528 -2.758 3.461 1.00 72.24 H new ATOM 0 HB2 PRO A 10 -0.425 -1.083 1.968 1.00 32.45 H new ATOM 0 HB3 PRO A 10 -0.604 -1.251 3.703 1.00 32.45 H new ATOM 0 HG2 PRO A 10 1.223 -2.680 2.162 1.00 54.32 H new ATOM 0 HG3 PRO A 10 0.690 -3.154 3.763 1.00 54.32 H new ATOM 0 HD2 PRO A 10 0.202 -4.569 1.322 1.00 12.02 H new ATOM 0 HD3 PRO A 10 -0.472 -4.948 2.895 1.00 12.02 H new ATOM 163 N CYS A 11 -2.711 -0.933 0.778 1.00 13.45 N ATOM 164 CA CYS A 11 -3.572 0.047 0.158 1.00 52.43 C ATOM 165 C CYS A 11 -4.263 -0.511 -1.062 1.00 23.15 C ATOM 166 O CYS A 11 -3.612 -1.008 -1.990 1.00 60.24 O ATOM 167 CB CYS A 11 -2.785 1.288 -0.184 1.00 2.51 C ATOM 168 SG CYS A 11 -2.091 2.111 1.277 1.00 13.35 S ATOM 0 H CYS A 11 -1.888 -1.186 0.232 1.00 13.45 H new ATOM 0 HA CYS A 11 -4.351 0.313 0.873 1.00 52.43 H new ATOM 0 HB2 CYS A 11 -1.975 1.023 -0.864 1.00 2.51 H new ATOM 0 HB3 CYS A 11 -3.431 1.987 -0.715 1.00 2.51 H new ATOM 173 N ARG A 12 -5.579 -0.432 -1.055 1.00 72.13 N ATOM 174 CA ARG A 12 -6.395 -0.937 -2.144 1.00 43.23 C ATOM 175 C ARG A 12 -6.494 0.115 -3.222 1.00 41.51 C ATOM 176 O ARG A 12 -6.442 -0.186 -4.412 1.00 54.34 O ATOM 177 CB ARG A 12 -7.802 -1.284 -1.639 1.00 51.01 C ATOM 178 CG ARG A 12 -7.818 -2.242 -0.463 1.00 21.03 C ATOM 179 CD ARG A 12 -9.229 -2.528 0.008 1.00 60.31 C ATOM 180 NE ARG A 12 -9.230 -3.327 1.239 1.00 24.22 N ATOM 181 CZ ARG A 12 -10.289 -3.503 2.042 1.00 73.03 C ATOM 182 NH1 ARG A 12 -11.484 -3.006 1.705 1.00 21.11 N ATOM 183 NH2 ARG A 12 -10.149 -4.185 3.171 1.00 12.05 N ATOM 0 H ARG A 12 -6.114 -0.015 -0.293 1.00 72.13 H new ATOM 0 HA ARG A 12 -5.932 -1.838 -2.546 1.00 43.23 H new ATOM 0 HB2 ARG A 12 -8.311 -0.364 -1.351 1.00 51.01 H new ATOM 0 HB3 ARG A 12 -8.373 -1.721 -2.458 1.00 51.01 H new ATOM 0 HG2 ARG A 12 -7.333 -3.176 -0.748 1.00 21.03 H new ATOM 0 HG3 ARG A 12 -7.239 -1.820 0.358 1.00 21.03 H new ATOM 0 HD2 ARG A 12 -9.754 -1.589 0.182 1.00 60.31 H new ATOM 0 HD3 ARG A 12 -9.774 -3.058 -0.773 1.00 60.31 H new ATOM 0 HE ARG A 12 -8.357 -3.784 1.504 1.00 24.22 H new ATOM 0 HH11 ARG A 12 -11.594 -2.489 0.832 1.00 21.11 H new ATOM 0 HH12 ARG A 12 -12.286 -3.144 2.321 1.00 21.11 H new ATOM 0 HH21 ARG A 12 -9.240 -4.572 3.424 1.00 12.05 H new ATOM 0 HH22 ARG A 12 -10.951 -4.323 3.786 1.00 12.05 H new ATOM 197 N PHE A 13 -6.626 1.352 -2.800 1.00 2.11 N ATOM 198 CA PHE A 13 -6.743 2.461 -3.714 1.00 22.21 C ATOM 199 C PHE A 13 -5.638 3.456 -3.435 1.00 62.22 C ATOM 200 O PHE A 13 -5.151 3.547 -2.302 1.00 65.41 O ATOM 201 CB PHE A 13 -8.106 3.163 -3.556 1.00 72.24 C ATOM 202 CG PHE A 13 -9.299 2.265 -3.739 1.00 34.34 C ATOM 203 CD1 PHE A 13 -9.749 1.935 -5.004 1.00 70.31 C ATOM 204 CD2 PHE A 13 -9.973 1.754 -2.639 1.00 11.12 C ATOM 205 CE1 PHE A 13 -10.846 1.113 -5.172 1.00 64.41 C ATOM 206 CE2 PHE A 13 -11.071 0.934 -2.799 1.00 2.24 C ATOM 207 CZ PHE A 13 -11.507 0.614 -4.069 1.00 45.11 C ATOM 0 H PHE A 13 -6.655 1.615 -1.815 1.00 2.11 H new ATOM 0 HA PHE A 13 -6.662 2.081 -4.732 1.00 22.21 H new ATOM 0 HB2 PHE A 13 -8.155 3.613 -2.564 1.00 72.24 H new ATOM 0 HB3 PHE A 13 -8.166 3.977 -4.278 1.00 72.24 H new ATOM 0 HD1 PHE A 13 -9.237 2.325 -5.871 1.00 70.31 H new ATOM 0 HD2 PHE A 13 -9.633 2.002 -1.644 1.00 11.12 H new ATOM 0 HE1 PHE A 13 -11.186 0.861 -6.166 1.00 64.41 H new ATOM 0 HE2 PHE A 13 -11.587 0.544 -1.934 1.00 2.24 H new ATOM 0 HZ PHE A 13 -12.366 -0.027 -4.199 1.00 45.11 H new ATOM 217 N PHE A 14 -5.231 4.163 -4.450 1.00 40.31 N ATOM 218 CA PHE A 14 -4.237 5.200 -4.317 1.00 52.22 C ATOM 219 C PHE A 14 -4.831 6.495 -4.788 1.00 35.00 C ATOM 220 O PHE A 14 -5.670 6.493 -5.693 1.00 33.54 O ATOM 221 CB PHE A 14 -2.993 4.894 -5.140 1.00 2.22 C ATOM 222 CG PHE A 14 -2.295 3.626 -4.762 1.00 64.20 C ATOM 223 CD1 PHE A 14 -1.519 3.568 -3.625 1.00 40.43 C ATOM 224 CD2 PHE A 14 -2.413 2.495 -5.548 1.00 63.30 C ATOM 225 CE1 PHE A 14 -0.871 2.412 -3.271 1.00 72.51 C ATOM 226 CE2 PHE A 14 -1.768 1.331 -5.201 1.00 42.21 C ATOM 227 CZ PHE A 14 -0.993 1.287 -4.060 1.00 54.31 C ATOM 0 H PHE A 14 -5.579 4.039 -5.401 1.00 40.31 H new ATOM 0 HA PHE A 14 -3.941 5.263 -3.270 1.00 52.22 H new ATOM 0 HB2 PHE A 14 -3.273 4.840 -6.192 1.00 2.22 H new ATOM 0 HB3 PHE A 14 -2.293 5.723 -5.039 1.00 2.22 H new ATOM 0 HD1 PHE A 14 -1.419 4.446 -3.003 1.00 40.43 H new ATOM 0 HD2 PHE A 14 -3.017 2.526 -6.443 1.00 63.30 H new ATOM 0 HE1 PHE A 14 -0.267 2.383 -2.376 1.00 72.51 H new ATOM 0 HE2 PHE A 14 -1.868 0.452 -5.821 1.00 42.21 H new ATOM 0 HZ PHE A 14 -0.484 0.375 -3.786 1.00 54.31 H new ATOM 237 N GLU A 15 -4.433 7.590 -4.178 1.00 1.14 N ATOM 238 CA GLU A 15 -4.929 8.893 -4.579 1.00 41.55 C ATOM 239 C GLU A 15 -4.407 9.308 -5.932 1.00 53.11 C ATOM 240 O GLU A 15 -5.164 9.783 -6.783 1.00 32.23 O ATOM 241 CB GLU A 15 -4.575 9.943 -3.564 1.00 61.12 C ATOM 242 CG GLU A 15 -5.290 9.778 -2.268 1.00 64.40 C ATOM 243 CD GLU A 15 -6.788 9.869 -2.426 1.00 21.53 C ATOM 244 OE1 GLU A 15 -7.431 8.838 -2.733 1.00 11.50 O ATOM 245 OE2 GLU A 15 -7.341 10.974 -2.248 1.00 75.34 O ATOM 0 H GLU A 15 -3.769 7.607 -3.404 1.00 1.14 H new ATOM 0 HA GLU A 15 -6.013 8.804 -4.643 1.00 41.55 H new ATOM 0 HB2 GLU A 15 -3.500 9.916 -3.384 1.00 61.12 H new ATOM 0 HB3 GLU A 15 -4.804 10.926 -3.974 1.00 61.12 H new ATOM 0 HG2 GLU A 15 -5.031 8.813 -1.833 1.00 64.40 H new ATOM 0 HG3 GLU A 15 -4.953 10.544 -1.569 1.00 64.40 H new ATOM 252 N SER A 16 -3.098 9.133 -6.128 1.00 42.12 N ATOM 253 CA SER A 16 -2.388 9.510 -7.354 1.00 64.42 C ATOM 254 C SER A 16 -2.535 11.005 -7.713 1.00 73.42 C ATOM 255 O SER A 16 -2.279 11.434 -8.835 1.00 40.34 O ATOM 256 CB SER A 16 -2.679 8.513 -8.512 1.00 74.12 C ATOM 257 OG SER A 16 -4.075 8.345 -8.763 1.00 13.03 O ATOM 0 H SER A 16 -2.489 8.716 -5.424 1.00 42.12 H new ATOM 0 HA SER A 16 -1.320 9.413 -7.158 1.00 64.42 H new ATOM 0 HB2 SER A 16 -2.192 8.867 -9.420 1.00 74.12 H new ATOM 0 HB3 SER A 16 -2.239 7.545 -8.271 1.00 74.12 H new ATOM 0 HG SER A 16 -4.576 9.059 -8.317 1.00 13.03 H new ATOM 263 N HIS A 17 -2.881 11.791 -6.702 1.00 3.51 N ATOM 264 CA HIS A 17 -3.043 13.228 -6.830 1.00 21.45 C ATOM 265 C HIS A 17 -2.567 13.881 -5.522 1.00 11.42 C ATOM 266 O HIS A 17 -3.001 14.953 -5.147 1.00 33.43 O ATOM 267 CB HIS A 17 -4.537 13.559 -7.120 1.00 64.22 C ATOM 268 CG HIS A 17 -4.794 15.011 -7.444 1.00 43.21 C ATOM 269 ND1 HIS A 17 -4.470 15.569 -8.649 1.00 4.13 N ATOM 270 CD2 HIS A 17 -5.303 16.025 -6.692 1.00 11.52 C ATOM 271 CE1 HIS A 17 -4.752 16.845 -8.633 1.00 54.21 C ATOM 272 NE2 HIS A 17 -5.262 17.156 -7.459 1.00 61.11 N ATOM 0 H HIS A 17 -3.058 11.442 -5.760 1.00 3.51 H new ATOM 0 HA HIS A 17 -2.451 13.616 -7.659 1.00 21.45 H new ATOM 0 HB2 HIS A 17 -4.879 12.946 -7.954 1.00 64.22 H new ATOM 0 HB3 HIS A 17 -5.135 13.280 -6.253 1.00 64.22 H new ATOM 0 HD2 HIS A 17 -5.670 15.950 -5.679 1.00 11.52 H new ATOM 0 HE1 HIS A 17 -4.593 17.533 -9.450 1.00 54.21 H new ATOM 0 HE2 HIS A 17 -5.574 18.084 -7.171 1.00 61.11 H new ATOM 281 N VAL A 18 -1.616 13.254 -4.875 1.00 54.03 N ATOM 282 CA VAL A 18 -1.136 13.758 -3.602 1.00 24.31 C ATOM 283 C VAL A 18 0.056 14.649 -3.840 1.00 43.32 C ATOM 284 O VAL A 18 0.983 14.260 -4.537 1.00 30.45 O ATOM 285 CB VAL A 18 -0.709 12.611 -2.642 1.00 71.14 C ATOM 286 CG1 VAL A 18 -0.295 13.160 -1.284 1.00 74.15 C ATOM 287 CG2 VAL A 18 -1.816 11.603 -2.484 1.00 14.54 C ATOM 0 H VAL A 18 -1.160 12.402 -5.200 1.00 54.03 H new ATOM 0 HA VAL A 18 -1.954 14.308 -3.136 1.00 24.31 H new ATOM 0 HB VAL A 18 0.152 12.111 -3.085 1.00 71.14 H new ATOM 0 HG11 VAL A 18 -0.001 12.337 -0.633 1.00 74.15 H new ATOM 0 HG12 VAL A 18 0.546 13.842 -1.408 1.00 74.15 H new ATOM 0 HG13 VAL A 18 -1.133 13.695 -0.837 1.00 74.15 H new ATOM 0 HG21 VAL A 18 -1.493 10.811 -1.808 1.00 14.54 H new ATOM 0 HG22 VAL A 18 -2.699 12.093 -2.073 1.00 14.54 H new ATOM 0 HG23 VAL A 18 -2.059 11.174 -3.456 1.00 14.54 H new ATOM 297 N ALA A 19 0.007 15.835 -3.294 1.00 72.10 N ATOM 298 CA ALA A 19 1.083 16.783 -3.432 1.00 72.41 C ATOM 299 C ALA A 19 2.001 16.713 -2.226 1.00 25.54 C ATOM 300 O ALA A 19 1.535 16.542 -1.100 1.00 21.21 O ATOM 301 CB ALA A 19 0.518 18.185 -3.574 1.00 42.41 C ATOM 0 H ALA A 19 -0.780 16.172 -2.740 1.00 72.10 H new ATOM 0 HA ALA A 19 1.659 16.537 -4.325 1.00 72.41 H new ATOM 0 HB1 ALA A 19 1.336 18.898 -3.678 1.00 42.41 H new ATOM 0 HB2 ALA A 19 -0.120 18.233 -4.457 1.00 42.41 H new ATOM 0 HB3 ALA A 19 -0.069 18.432 -2.689 1.00 42.41 H new ATOM 307 N ARG A 20 3.304 16.870 -2.465 1.00 2.34 N ATOM 308 CA ARG A 20 4.337 16.838 -1.420 1.00 64.13 C ATOM 309 C ARG A 20 4.025 17.838 -0.303 1.00 3.32 C ATOM 310 O ARG A 20 4.209 17.547 0.879 1.00 4.14 O ATOM 311 CB ARG A 20 5.703 17.185 -2.037 1.00 41.42 C ATOM 312 CG ARG A 20 6.867 17.235 -1.041 1.00 62.34 C ATOM 313 CD ARG A 20 7.182 15.885 -0.452 1.00 40.53 C ATOM 314 NE ARG A 20 8.226 15.949 0.584 1.00 32.22 N ATOM 315 CZ ARG A 20 9.359 15.213 0.614 1.00 72.41 C ATOM 316 NH1 ARG A 20 9.740 14.499 -0.447 1.00 2.33 N ATOM 317 NH2 ARG A 20 10.136 15.251 1.687 1.00 3.54 N ATOM 0 H ARG A 20 3.680 17.025 -3.401 1.00 2.34 H new ATOM 0 HA ARG A 20 4.358 15.835 -0.994 1.00 64.13 H new ATOM 0 HB2 ARG A 20 5.935 16.450 -2.808 1.00 41.42 H new ATOM 0 HB3 ARG A 20 5.626 18.153 -2.533 1.00 41.42 H new ATOM 0 HG2 ARG A 20 7.753 17.625 -1.542 1.00 62.34 H new ATOM 0 HG3 ARG A 20 6.624 17.930 -0.238 1.00 62.34 H new ATOM 0 HD2 ARG A 20 6.275 15.459 -0.023 1.00 40.53 H new ATOM 0 HD3 ARG A 20 7.505 15.212 -1.247 1.00 40.53 H new ATOM 0 HE ARG A 20 8.081 16.609 1.348 1.00 32.22 H new ATOM 0 HH11 ARG A 20 9.174 14.504 -1.295 1.00 2.33 H new ATOM 0 HH12 ARG A 20 10.598 13.948 -0.410 1.00 2.33 H new ATOM 0 HH21 ARG A 20 9.877 15.833 2.484 1.00 3.54 H new ATOM 0 HH22 ARG A 20 10.993 14.698 1.716 1.00 3.54 H new ATOM 331 N ALA A 21 3.528 18.992 -0.688 1.00 73.24 N ATOM 332 CA ALA A 21 3.247 20.065 0.253 1.00 21.44 C ATOM 333 C ALA A 21 1.980 19.813 1.057 1.00 72.22 C ATOM 334 O ALA A 21 1.776 20.419 2.100 1.00 0.52 O ATOM 335 CB ALA A 21 3.142 21.378 -0.476 1.00 53.44 C ATOM 0 H ALA A 21 3.306 19.218 -1.658 1.00 73.24 H new ATOM 0 HA ALA A 21 4.077 20.101 0.958 1.00 21.44 H new ATOM 0 HB1 ALA A 21 2.931 22.175 0.238 1.00 53.44 H new ATOM 0 HB2 ALA A 21 4.082 21.587 -0.986 1.00 53.44 H new ATOM 0 HB3 ALA A 21 2.336 21.324 -1.208 1.00 53.44 H new ATOM 341 N ASN A 22 1.144 18.911 0.588 1.00 62.32 N ATOM 342 CA ASN A 22 -0.108 18.616 1.275 1.00 64.14 C ATOM 343 C ASN A 22 0.104 17.444 2.224 1.00 45.13 C ATOM 344 O ASN A 22 -0.807 16.992 2.918 1.00 13.44 O ATOM 345 CB ASN A 22 -1.232 18.305 0.262 1.00 45.43 C ATOM 346 CG ASN A 22 -2.598 18.090 0.920 1.00 21.53 C ATOM 347 OD1 ASN A 22 -2.906 18.668 1.975 1.00 51.33 O ATOM 348 ND2 ASN A 22 -3.422 17.275 0.315 1.00 34.33 N ATOM 0 H ASN A 22 1.302 18.369 -0.261 1.00 62.32 H new ATOM 0 HA ASN A 22 -0.415 19.491 1.848 1.00 64.14 H new ATOM 0 HB2 ASN A 22 -1.305 19.125 -0.452 1.00 45.43 H new ATOM 0 HB3 ASN A 22 -0.965 17.413 -0.304 1.00 45.43 H new ATOM 0 HD21 ASN A 22 -4.346 17.099 0.709 1.00 34.33 H new ATOM 0 HD22 ASN A 22 -3.140 16.815 -0.551 1.00 34.33 H new ATOM 355 N VAL A 23 1.316 16.969 2.271 1.00 53.31 N ATOM 356 CA VAL A 23 1.626 15.860 3.123 1.00 73.43 C ATOM 357 C VAL A 23 2.153 16.325 4.474 1.00 70.33 C ATOM 358 O VAL A 23 3.159 17.028 4.566 1.00 41.23 O ATOM 359 CB VAL A 23 2.598 14.853 2.482 1.00 52.55 C ATOM 360 CG1 VAL A 23 2.911 13.759 3.449 1.00 52.51 C ATOM 361 CG2 VAL A 23 2.039 14.287 1.184 1.00 61.53 C ATOM 0 H VAL A 23 2.102 17.331 1.731 1.00 53.31 H new ATOM 0 HA VAL A 23 0.684 15.333 3.277 1.00 73.43 H new ATOM 0 HB VAL A 23 3.520 15.379 2.235 1.00 52.55 H new ATOM 0 HG11 VAL A 23 3.599 13.051 2.987 1.00 52.51 H new ATOM 0 HG12 VAL A 23 3.371 14.183 4.342 1.00 52.51 H new ATOM 0 HG13 VAL A 23 1.991 13.243 3.725 1.00 52.51 H new ATOM 0 HG21 VAL A 23 2.751 13.580 0.759 1.00 61.53 H new ATOM 0 HG22 VAL A 23 1.097 13.777 1.385 1.00 61.53 H new ATOM 0 HG23 VAL A 23 1.868 15.099 0.477 1.00 61.53 H new ATOM 371 N LYS A 24 1.453 15.929 5.497 1.00 12.31 N ATOM 372 CA LYS A 24 1.764 16.238 6.859 1.00 2.35 C ATOM 373 C LYS A 24 2.844 15.269 7.368 1.00 44.02 C ATOM 374 O LYS A 24 3.733 15.641 8.130 1.00 70.52 O ATOM 375 CB LYS A 24 0.512 15.972 7.705 1.00 44.41 C ATOM 376 CG LYS A 24 0.567 16.581 9.068 1.00 72.22 C ATOM 377 CD LYS A 24 0.073 17.995 9.004 1.00 62.35 C ATOM 378 CE LYS A 24 -1.460 18.043 9.074 1.00 1.23 C ATOM 379 NZ LYS A 24 -1.970 17.528 10.377 1.00 64.21 N ATOM 0 H LYS A 24 0.614 15.357 5.399 1.00 12.31 H new ATOM 0 HA LYS A 24 2.100 17.273 6.930 1.00 2.35 H new ATOM 0 HB2 LYS A 24 -0.360 16.360 7.179 1.00 44.41 H new ATOM 0 HB3 LYS A 24 0.373 14.895 7.803 1.00 44.41 H new ATOM 0 HG2 LYS A 24 -0.043 16.002 9.761 1.00 72.22 H new ATOM 0 HG3 LYS A 24 1.589 16.558 9.447 1.00 72.22 H new ATOM 0 HD2 LYS A 24 0.497 18.570 9.827 1.00 62.35 H new ATOM 0 HD3 LYS A 24 0.414 18.462 8.080 1.00 62.35 H new ATOM 0 HE2 LYS A 24 -1.799 19.069 8.931 1.00 1.23 H new ATOM 0 HE3 LYS A 24 -1.880 17.452 8.260 1.00 1.23 H new ATOM 0 HZ1 LYS A 24 -2.813 16.941 10.212 1.00 64.21 H new ATOM 0 HZ2 LYS A 24 -1.234 16.955 10.836 1.00 64.21 H new ATOM 0 HZ3 LYS A 24 -2.220 18.328 10.993 1.00 64.21 H new ATOM 393 N HIS A 25 2.735 14.029 6.928 1.00 10.21 N ATOM 394 CA HIS A 25 3.552 12.921 7.434 1.00 13.14 C ATOM 395 C HIS A 25 3.718 11.858 6.361 1.00 55.43 C ATOM 396 O HIS A 25 2.754 11.511 5.714 1.00 2.14 O ATOM 397 CB HIS A 25 2.815 12.308 8.656 1.00 12.14 C ATOM 398 CG HIS A 25 3.356 10.991 9.169 1.00 22.33 C ATOM 399 ND1 HIS A 25 4.130 10.869 10.292 1.00 64.31 N ATOM 400 CD2 HIS A 25 3.150 9.726 8.715 1.00 31.43 C ATOM 401 CE1 HIS A 25 4.381 9.593 10.518 1.00 64.34 C ATOM 402 NE2 HIS A 25 3.795 8.876 9.572 1.00 71.21 N ATOM 0 H HIS A 25 2.073 13.751 6.203 1.00 10.21 H new ATOM 0 HA HIS A 25 4.540 13.284 7.717 1.00 13.14 H new ATOM 0 HB2 HIS A 25 2.843 13.031 9.471 1.00 12.14 H new ATOM 0 HB3 HIS A 25 1.767 12.168 8.390 1.00 12.14 H new ATOM 0 HD1 HIS A 25 4.461 11.645 10.865 1.00 64.31 H new ATOM 0 HD2 HIS A 25 2.583 9.444 7.840 1.00 31.43 H new ATOM 0 HE1 HIS A 25 4.966 9.200 11.337 1.00 64.34 H new ATOM 411 N LEU A 26 4.922 11.337 6.211 1.00 35.21 N ATOM 412 CA LEU A 26 5.203 10.259 5.255 1.00 21.23 C ATOM 413 C LEU A 26 5.665 8.986 5.958 1.00 23.13 C ATOM 414 O LEU A 26 6.605 9.006 6.752 1.00 14.41 O ATOM 415 CB LEU A 26 6.227 10.710 4.206 1.00 74.20 C ATOM 416 CG LEU A 26 5.710 11.706 3.174 1.00 44.42 C ATOM 417 CD1 LEU A 26 6.837 12.274 2.348 1.00 74.22 C ATOM 418 CD2 LEU A 26 4.720 11.012 2.258 1.00 5.12 C ATOM 0 H LEU A 26 5.737 11.642 6.743 1.00 35.21 H new ATOM 0 HA LEU A 26 4.270 10.026 4.742 1.00 21.23 H new ATOM 0 HB2 LEU A 26 7.078 11.155 4.721 1.00 74.20 H new ATOM 0 HB3 LEU A 26 6.597 9.829 3.682 1.00 74.20 H new ATOM 0 HG LEU A 26 5.226 12.526 3.704 1.00 44.42 H new ATOM 0 HD11 LEU A 26 6.435 12.981 1.622 1.00 74.22 H new ATOM 0 HD12 LEU A 26 7.544 12.787 3.000 1.00 74.22 H new ATOM 0 HD13 LEU A 26 7.347 11.466 1.824 1.00 74.22 H new ATOM 0 HD21 LEU A 26 4.349 11.722 1.519 1.00 5.12 H new ATOM 0 HD22 LEU A 26 5.214 10.184 1.750 1.00 5.12 H new ATOM 0 HD23 LEU A 26 3.885 10.631 2.846 1.00 5.12 H new ATOM 430 N LYS A 27 4.980 7.899 5.678 1.00 30.44 N ATOM 431 CA LYS A 27 5.256 6.601 6.216 1.00 64.52 C ATOM 432 C LYS A 27 5.322 5.625 5.045 1.00 4.43 C ATOM 433 O LYS A 27 4.469 5.666 4.189 1.00 4.30 O ATOM 434 CB LYS A 27 4.087 6.201 7.127 1.00 21.43 C ATOM 435 CG LYS A 27 4.237 4.851 7.756 1.00 12.31 C ATOM 436 CD LYS A 27 5.433 4.818 8.656 1.00 32.30 C ATOM 437 CE LYS A 27 5.639 3.450 9.180 1.00 20.14 C ATOM 438 NZ LYS A 27 6.782 3.382 10.119 1.00 0.11 N ATOM 0 H LYS A 27 4.183 7.904 5.041 1.00 30.44 H new ATOM 0 HA LYS A 27 6.189 6.595 6.779 1.00 64.52 H new ATOM 0 HB2 LYS A 27 3.982 6.947 7.914 1.00 21.43 H new ATOM 0 HB3 LYS A 27 3.165 6.219 6.546 1.00 21.43 H new ATOM 0 HG2 LYS A 27 3.340 4.608 8.325 1.00 12.31 H new ATOM 0 HG3 LYS A 27 4.338 4.092 6.980 1.00 12.31 H new ATOM 0 HD2 LYS A 27 6.318 5.143 8.109 1.00 32.30 H new ATOM 0 HD3 LYS A 27 5.295 5.515 9.482 1.00 32.30 H new ATOM 0 HE2 LYS A 27 4.734 3.116 9.686 1.00 20.14 H new ATOM 0 HE3 LYS A 27 5.811 2.766 8.349 1.00 20.14 H new ATOM 0 HZ1 LYS A 27 6.892 2.406 10.463 1.00 0.11 H new ATOM 0 HZ2 LYS A 27 7.651 3.676 9.630 1.00 0.11 H new ATOM 0 HZ3 LYS A 27 6.607 4.015 10.925 1.00 0.11 H new ATOM 452 N ILE A 28 6.312 4.773 4.986 1.00 13.51 N ATOM 453 CA ILE A 28 6.375 3.845 3.867 1.00 24.14 C ATOM 454 C ILE A 28 6.113 2.415 4.337 1.00 44.11 C ATOM 455 O ILE A 28 6.648 1.977 5.370 1.00 54.41 O ATOM 456 CB ILE A 28 7.739 3.897 3.128 1.00 73.34 C ATOM 457 CG1 ILE A 28 8.110 5.334 2.848 1.00 43.43 C ATOM 458 CG2 ILE A 28 7.632 3.189 1.793 1.00 23.35 C ATOM 459 CD1 ILE A 28 9.356 5.480 2.020 1.00 21.43 C ATOM 0 H ILE A 28 7.065 4.695 5.669 1.00 13.51 H new ATOM 0 HA ILE A 28 5.600 4.154 3.166 1.00 24.14 H new ATOM 0 HB ILE A 28 8.489 3.417 3.757 1.00 73.34 H new ATOM 0 HG12 ILE A 28 7.282 5.821 2.333 1.00 43.43 H new ATOM 0 HG13 ILE A 28 8.249 5.856 3.795 1.00 43.43 H new ATOM 0 HG21 ILE A 28 8.593 3.230 1.281 1.00 23.35 H new ATOM 0 HG22 ILE A 28 7.351 2.148 1.955 1.00 23.35 H new ATOM 0 HG23 ILE A 28 6.874 3.678 1.181 1.00 23.35 H new ATOM 0 HD11 ILE A 28 9.563 6.538 1.858 1.00 21.43 H new ATOM 0 HD12 ILE A 28 10.196 5.022 2.542 1.00 21.43 H new ATOM 0 HD13 ILE A 28 9.214 4.986 1.059 1.00 21.43 H new ATOM 471 N LEU A 29 5.280 1.712 3.603 1.00 11.02 N ATOM 472 CA LEU A 29 4.965 0.330 3.878 1.00 12.20 C ATOM 473 C LEU A 29 5.584 -0.520 2.781 1.00 12.45 C ATOM 474 O LEU A 29 5.294 -0.316 1.589 1.00 41.23 O ATOM 475 CB LEU A 29 3.444 0.122 3.876 1.00 40.54 C ATOM 476 CG LEU A 29 2.616 1.000 4.822 1.00 0.10 C ATOM 477 CD1 LEU A 29 1.147 0.685 4.673 1.00 40.10 C ATOM 478 CD2 LEU A 29 3.050 0.820 6.267 1.00 64.11 C ATOM 0 H LEU A 29 4.797 2.090 2.788 1.00 11.02 H new ATOM 0 HA LEU A 29 5.356 0.049 4.856 1.00 12.20 H new ATOM 0 HB2 LEU A 29 3.082 0.284 2.861 1.00 40.54 H new ATOM 0 HB3 LEU A 29 3.245 -0.921 4.122 1.00 40.54 H new ATOM 0 HG LEU A 29 2.787 2.042 4.550 1.00 0.10 H new ATOM 0 HD11 LEU A 29 0.569 1.315 5.350 1.00 40.10 H new ATOM 0 HD12 LEU A 29 0.836 0.876 3.646 1.00 40.10 H new ATOM 0 HD13 LEU A 29 0.973 -0.363 4.916 1.00 40.10 H new ATOM 0 HD21 LEU A 29 2.443 1.456 6.911 1.00 64.11 H new ATOM 0 HD22 LEU A 29 2.919 -0.222 6.559 1.00 64.11 H new ATOM 0 HD23 LEU A 29 4.099 1.096 6.369 1.00 64.11 H new ATOM 490 N ASN A 30 6.427 -1.450 3.148 1.00 10.23 N ATOM 491 CA ASN A 30 7.088 -2.269 2.152 1.00 3.33 C ATOM 492 C ASN A 30 6.532 -3.676 2.130 1.00 34.32 C ATOM 493 O ASN A 30 6.394 -4.324 3.175 1.00 51.13 O ATOM 494 CB ASN A 30 8.633 -2.273 2.307 1.00 22.20 C ATOM 495 CG ASN A 30 9.139 -2.860 3.619 1.00 23.32 C ATOM 496 OD1 ASN A 30 9.373 -4.059 3.723 1.00 72.44 O ATOM 497 ND2 ASN A 30 9.355 -2.018 4.607 1.00 70.33 N ATOM 0 H ASN A 30 6.673 -1.662 4.115 1.00 10.23 H new ATOM 0 HA ASN A 30 6.874 -1.810 1.187 1.00 3.33 H new ATOM 0 HB2 ASN A 30 9.066 -2.837 1.481 1.00 22.20 H new ATOM 0 HB3 ASN A 30 8.996 -1.249 2.219 1.00 22.20 H new ATOM 0 HD21 ASN A 30 9.728 -2.357 5.494 1.00 70.33 H new ATOM 0 HD22 ASN A 30 9.149 -1.026 4.486 1.00 70.33 H new ATOM 504 N THR A 31 6.186 -4.135 0.945 1.00 21.34 N ATOM 505 CA THR A 31 5.670 -5.470 0.751 1.00 33.23 C ATOM 506 C THR A 31 6.297 -6.116 -0.468 1.00 24.31 C ATOM 507 O THR A 31 5.985 -5.741 -1.604 1.00 73.55 O ATOM 508 CB THR A 31 4.131 -5.504 0.652 1.00 54.33 C ATOM 509 OG1 THR A 31 3.660 -4.484 -0.249 1.00 50.03 O ATOM 510 CG2 THR A 31 3.497 -5.347 2.020 1.00 75.42 C ATOM 0 H THR A 31 6.256 -3.588 0.087 1.00 21.34 H new ATOM 0 HA THR A 31 5.943 -6.044 1.636 1.00 33.23 H new ATOM 0 HB THR A 31 3.837 -6.475 0.255 1.00 54.33 H new ATOM 0 HG1 THR A 31 4.409 -4.152 -0.787 1.00 50.03 H new ATOM 0 HG21 THR A 31 2.412 -5.374 1.923 1.00 75.42 H new ATOM 0 HG22 THR A 31 3.824 -6.160 2.668 1.00 75.42 H new ATOM 0 HG23 THR A 31 3.799 -4.394 2.454 1.00 75.42 H new ATOM 518 N PRO A 32 7.191 -7.087 -0.245 1.00 73.23 N ATOM 519 CA PRO A 32 7.953 -7.761 -1.312 1.00 20.30 C ATOM 520 C PRO A 32 7.080 -8.433 -2.366 1.00 2.45 C ATOM 521 O PRO A 32 7.472 -8.538 -3.528 1.00 3.24 O ATOM 522 CB PRO A 32 8.760 -8.818 -0.559 1.00 43.52 C ATOM 523 CG PRO A 32 8.850 -8.305 0.827 1.00 10.32 C ATOM 524 CD PRO A 32 7.549 -7.613 1.087 1.00 34.55 C ATOM 0 HA PRO A 32 8.551 -7.042 -1.871 1.00 20.30 H new ATOM 0 HB2 PRO A 32 8.267 -9.790 -0.590 1.00 43.52 H new ATOM 0 HB3 PRO A 32 9.749 -8.948 -0.998 1.00 43.52 H new ATOM 0 HG2 PRO A 32 9.010 -9.118 1.536 1.00 10.32 H new ATOM 0 HG3 PRO A 32 9.688 -7.617 0.936 1.00 10.32 H new ATOM 0 HD2 PRO A 32 6.793 -8.300 1.468 1.00 34.55 H new ATOM 0 HD3 PRO A 32 7.654 -6.816 1.823 1.00 34.55 H new ATOM 532 N ASN A 33 5.903 -8.873 -1.967 1.00 11.31 N ATOM 533 CA ASN A 33 5.004 -9.584 -2.875 1.00 54.02 C ATOM 534 C ASN A 33 3.991 -8.654 -3.510 1.00 34.11 C ATOM 535 O ASN A 33 3.108 -9.097 -4.242 1.00 22.43 O ATOM 536 CB ASN A 33 4.261 -10.717 -2.150 1.00 51.35 C ATOM 537 CG ASN A 33 5.171 -11.803 -1.615 1.00 44.42 C ATOM 538 OD1 ASN A 33 5.465 -12.784 -2.310 1.00 64.24 O ATOM 539 ND2 ASN A 33 5.612 -11.655 -0.387 1.00 21.34 N ATOM 0 H ASN A 33 5.540 -8.754 -1.021 1.00 11.31 H new ATOM 0 HA ASN A 33 5.631 -10.007 -3.660 1.00 54.02 H new ATOM 0 HB2 ASN A 33 3.691 -10.294 -1.323 1.00 51.35 H new ATOM 0 HB3 ASN A 33 3.542 -11.164 -2.836 1.00 51.35 H new ATOM 0 HD21 ASN A 33 6.219 -12.363 0.026 1.00 21.34 H new ATOM 0 HD22 ASN A 33 5.347 -10.832 0.154 1.00 21.34 H new ATOM 546 N CYS A 34 4.105 -7.377 -3.251 1.00 75.21 N ATOM 547 CA CYS A 34 3.151 -6.445 -3.805 1.00 22.51 C ATOM 548 C CYS A 34 3.852 -5.326 -4.547 1.00 10.44 C ATOM 549 O CYS A 34 3.997 -5.376 -5.780 1.00 63.31 O ATOM 550 CB CYS A 34 2.240 -5.858 -2.712 1.00 1.35 C ATOM 551 SG CYS A 34 1.341 -7.084 -1.703 1.00 33.53 S ATOM 0 H CYS A 34 4.834 -6.962 -2.671 1.00 75.21 H new ATOM 0 HA CYS A 34 2.531 -6.999 -4.510 1.00 22.51 H new ATOM 0 HB2 CYS A 34 2.847 -5.241 -2.049 1.00 1.35 H new ATOM 0 HB3 CYS A 34 1.513 -5.198 -3.184 1.00 1.35 H new ATOM 556 N ALA A 35 4.338 -4.356 -3.778 1.00 15.21 N ATOM 557 CA ALA A 35 4.948 -3.139 -4.270 1.00 5.30 C ATOM 558 C ALA A 35 5.141 -2.230 -3.080 1.00 43.32 C ATOM 559 O ALA A 35 5.008 -2.683 -1.915 1.00 43.13 O ATOM 560 CB ALA A 35 4.017 -2.444 -5.267 1.00 42.14 C ATOM 0 H ALA A 35 4.314 -4.404 -2.759 1.00 15.21 H new ATOM 0 HA ALA A 35 5.891 -3.364 -4.769 1.00 5.30 H new ATOM 0 HB1 ALA A 35 4.488 -1.530 -5.629 1.00 42.14 H new ATOM 0 HB2 ALA A 35 3.822 -3.110 -6.108 1.00 42.14 H new ATOM 0 HB3 ALA A 35 3.076 -2.197 -4.775 1.00 42.14 H new ATOM 566 N LEU A 36 5.455 -0.981 -3.340 1.00 50.53 N ATOM 567 CA LEU A 36 5.549 0.000 -2.293 1.00 55.24 C ATOM 568 C LEU A 36 4.303 0.780 -2.138 1.00 63.31 C ATOM 569 O LEU A 36 3.728 1.298 -3.101 1.00 22.34 O ATOM 570 CB LEU A 36 6.733 0.943 -2.422 1.00 14.31 C ATOM 571 CG LEU A 36 8.084 0.419 -1.962 1.00 21.25 C ATOM 572 CD1 LEU A 36 8.048 0.058 -0.490 1.00 74.04 C ATOM 573 CD2 LEU A 36 8.548 -0.745 -2.794 1.00 11.44 C ATOM 0 H LEU A 36 5.650 -0.623 -4.275 1.00 50.53 H new ATOM 0 HA LEU A 36 5.713 -0.592 -1.393 1.00 55.24 H new ATOM 0 HB2 LEU A 36 6.821 1.235 -3.468 1.00 14.31 H new ATOM 0 HB3 LEU A 36 6.509 1.847 -1.856 1.00 14.31 H new ATOM 0 HG LEU A 36 8.809 1.221 -2.100 1.00 21.25 H new ATOM 0 HD11 LEU A 36 9.025 -0.315 -0.183 1.00 74.04 H new ATOM 0 HD12 LEU A 36 7.796 0.942 0.095 1.00 74.04 H new ATOM 0 HD13 LEU A 36 7.297 -0.714 -0.323 1.00 74.04 H new ATOM 0 HD21 LEU A 36 9.517 -1.088 -2.431 1.00 11.44 H new ATOM 0 HD22 LEU A 36 7.824 -1.557 -2.720 1.00 11.44 H new ATOM 0 HD23 LEU A 36 8.639 -0.435 -3.835 1.00 11.44 H new ATOM 585 N GLN A 37 3.910 0.866 -0.938 1.00 75.14 N ATOM 586 CA GLN A 37 2.731 1.609 -0.541 1.00 53.32 C ATOM 587 C GLN A 37 3.178 2.691 0.383 1.00 65.04 C ATOM 588 O GLN A 37 3.788 2.412 1.412 1.00 1.31 O ATOM 589 CB GLN A 37 1.672 0.737 0.184 1.00 63.03 C ATOM 590 CG GLN A 37 0.852 -0.262 -0.654 1.00 53.43 C ATOM 591 CD GLN A 37 1.654 -1.346 -1.333 1.00 53.33 C ATOM 592 OE1 GLN A 37 2.062 -1.216 -2.474 1.00 73.14 O ATOM 593 NE2 GLN A 37 1.896 -2.404 -0.626 1.00 73.44 N ATOM 0 H GLN A 37 4.394 0.419 -0.159 1.00 75.14 H new ATOM 0 HA GLN A 37 2.254 1.996 -1.441 1.00 53.32 H new ATOM 0 HB2 GLN A 37 2.183 0.175 0.966 1.00 63.03 H new ATOM 0 HB3 GLN A 37 0.971 1.409 0.680 1.00 63.03 H new ATOM 0 HG2 GLN A 37 0.112 -0.732 -0.007 1.00 53.43 H new ATOM 0 HG3 GLN A 37 0.303 0.292 -1.416 1.00 53.43 H new ATOM 0 HE21 GLN A 37 1.536 -2.475 0.326 1.00 73.44 H new ATOM 0 HE22 GLN A 37 2.446 -3.167 -1.021 1.00 73.44 H new ATOM 602 N ILE A 38 2.923 3.904 0.040 1.00 45.42 N ATOM 603 CA ILE A 38 3.355 4.965 0.883 1.00 3.11 C ATOM 604 C ILE A 38 2.153 5.620 1.521 1.00 52.31 C ATOM 605 O ILE A 38 1.162 5.873 0.868 1.00 62.03 O ATOM 606 CB ILE A 38 4.250 5.986 0.126 1.00 60.22 C ATOM 607 CG1 ILE A 38 5.360 5.205 -0.606 1.00 52.30 C ATOM 608 CG2 ILE A 38 4.856 6.993 1.103 1.00 73.43 C ATOM 609 CD1 ILE A 38 6.473 6.032 -1.187 1.00 24.52 C ATOM 0 H ILE A 38 2.425 4.186 -0.805 1.00 45.42 H new ATOM 0 HA ILE A 38 3.984 4.552 1.672 1.00 3.11 H new ATOM 0 HB ILE A 38 3.652 6.544 -0.595 1.00 60.22 H new ATOM 0 HG12 ILE A 38 5.793 4.488 0.091 1.00 52.30 H new ATOM 0 HG13 ILE A 38 4.902 4.630 -1.411 1.00 52.30 H new ATOM 0 HG21 ILE A 38 5.480 7.700 0.556 1.00 73.43 H new ATOM 0 HG22 ILE A 38 4.057 7.532 1.612 1.00 73.43 H new ATOM 0 HG23 ILE A 38 5.464 6.466 1.838 1.00 73.43 H new ATOM 0 HD11 ILE A 38 7.195 5.378 -1.677 1.00 24.52 H new ATOM 0 HD12 ILE A 38 6.064 6.732 -1.916 1.00 24.52 H new ATOM 0 HD13 ILE A 38 6.968 6.587 -0.390 1.00 24.52 H new ATOM 621 N VAL A 39 2.228 5.836 2.784 1.00 52.43 N ATOM 622 CA VAL A 39 1.138 6.412 3.531 1.00 41.22 C ATOM 623 C VAL A 39 1.492 7.815 3.936 1.00 53.43 C ATOM 624 O VAL A 39 2.598 8.077 4.406 1.00 20.12 O ATOM 625 CB VAL A 39 0.789 5.556 4.788 1.00 73.32 C ATOM 626 CG1 VAL A 39 -0.301 6.212 5.636 1.00 52.11 C ATOM 627 CG2 VAL A 39 0.354 4.165 4.366 1.00 44.22 C ATOM 0 H VAL A 39 3.051 5.620 3.346 1.00 52.43 H new ATOM 0 HA VAL A 39 0.256 6.429 2.891 1.00 41.22 H new ATOM 0 HB VAL A 39 1.688 5.485 5.401 1.00 73.32 H new ATOM 0 HG11 VAL A 39 -0.515 5.585 6.502 1.00 52.11 H new ATOM 0 HG12 VAL A 39 0.040 7.191 5.973 1.00 52.11 H new ATOM 0 HG13 VAL A 39 -1.206 6.328 5.039 1.00 52.11 H new ATOM 0 HG21 VAL A 39 0.113 3.575 5.250 1.00 44.22 H new ATOM 0 HG22 VAL A 39 -0.526 4.237 3.727 1.00 44.22 H new ATOM 0 HG23 VAL A 39 1.162 3.682 3.817 1.00 44.22 H new ATOM 637 N ALA A 40 0.579 8.705 3.755 1.00 4.44 N ATOM 638 CA ALA A 40 0.797 10.062 4.083 1.00 25.14 C ATOM 639 C ALA A 40 -0.394 10.604 4.719 1.00 74.51 C ATOM 640 O ALA A 40 -1.488 10.133 4.477 1.00 4.10 O ATOM 641 CB ALA A 40 1.068 10.855 2.863 1.00 15.12 C ATOM 0 H ALA A 40 -0.345 8.505 3.372 1.00 4.44 H new ATOM 0 HA ALA A 40 1.654 10.118 4.755 1.00 25.14 H new ATOM 0 HB1 ALA A 40 1.233 11.897 3.136 1.00 15.12 H new ATOM 0 HB2 ALA A 40 1.956 10.465 2.365 1.00 15.12 H new ATOM 0 HB3 ALA A 40 0.215 10.788 2.188 1.00 15.12 H new ATOM 647 N ARG A 41 -0.213 11.564 5.538 1.00 73.31 N ATOM 648 CA ARG A 41 -1.316 12.198 6.108 1.00 11.43 C ATOM 649 C ARG A 41 -1.503 13.525 5.461 1.00 21.14 C ATOM 650 O ARG A 41 -0.562 14.267 5.289 1.00 55.45 O ATOM 651 CB ARG A 41 -1.199 12.276 7.601 1.00 22.45 C ATOM 652 CG ARG A 41 -2.445 12.782 8.259 1.00 10.13 C ATOM 653 CD ARG A 41 -2.422 12.460 9.704 1.00 10.54 C ATOM 654 NE ARG A 41 -3.625 12.950 10.391 1.00 62.15 N ATOM 655 CZ ARG A 41 -3.800 13.046 11.715 1.00 64.43 C ATOM 656 NH1 ARG A 41 -2.834 12.702 12.553 1.00 61.10 N ATOM 657 NH2 ARG A 41 -4.956 13.501 12.189 1.00 52.44 N ATOM 0 H ARG A 41 0.697 11.925 5.826 1.00 73.31 H new ATOM 0 HA ARG A 41 -2.214 11.608 5.925 1.00 11.43 H new ATOM 0 HB2 ARG A 41 -0.963 11.287 7.994 1.00 22.45 H new ATOM 0 HB3 ARG A 41 -0.366 12.929 7.861 1.00 22.45 H new ATOM 0 HG2 ARG A 41 -2.528 13.860 8.120 1.00 10.13 H new ATOM 0 HG3 ARG A 41 -3.321 12.332 7.792 1.00 10.13 H new ATOM 0 HD2 ARG A 41 -2.343 11.381 9.835 1.00 10.54 H new ATOM 0 HD3 ARG A 41 -1.537 12.902 10.161 1.00 10.54 H new ATOM 0 HE ARG A 41 -4.403 13.246 9.801 1.00 62.15 H new ATOM 0 HH11 ARG A 41 -1.944 12.359 12.192 1.00 61.10 H new ATOM 0 HH12 ARG A 41 -2.980 12.780 13.559 1.00 61.10 H new ATOM 0 HH21 ARG A 41 -5.699 13.773 11.546 1.00 52.44 H new ATOM 0 HH22 ARG A 41 -5.099 13.578 13.196 1.00 52.44 H new ATOM 671 N LEU A 42 -2.699 13.788 5.083 1.00 44.40 N ATOM 672 CA LEU A 42 -3.049 14.985 4.365 1.00 55.21 C ATOM 673 C LEU A 42 -3.171 16.159 5.296 1.00 54.40 C ATOM 674 O LEU A 42 -3.560 16.000 6.433 1.00 34.10 O ATOM 675 CB LEU A 42 -4.367 14.761 3.599 1.00 34.24 C ATOM 676 CG LEU A 42 -4.320 13.684 2.520 1.00 15.54 C ATOM 677 CD1 LEU A 42 -5.649 13.584 1.822 1.00 24.14 C ATOM 678 CD2 LEU A 42 -3.215 13.966 1.516 1.00 64.31 C ATOM 0 H LEU A 42 -3.491 13.170 5.262 1.00 44.40 H new ATOM 0 HA LEU A 42 -2.255 15.210 3.653 1.00 55.21 H new ATOM 0 HB2 LEU A 42 -5.145 14.499 4.316 1.00 34.24 H new ATOM 0 HB3 LEU A 42 -4.664 15.702 3.137 1.00 34.24 H new ATOM 0 HG LEU A 42 -4.104 12.731 3.002 1.00 15.54 H new ATOM 0 HD11 LEU A 42 -5.600 12.811 1.055 1.00 24.14 H new ATOM 0 HD12 LEU A 42 -6.422 13.327 2.546 1.00 24.14 H new ATOM 0 HD13 LEU A 42 -5.889 14.541 1.358 1.00 24.14 H new ATOM 0 HD21 LEU A 42 -3.204 13.183 0.758 1.00 64.31 H new ATOM 0 HD22 LEU A 42 -3.394 14.930 1.039 1.00 64.31 H new ATOM 0 HD23 LEU A 42 -2.254 13.988 2.029 1.00 64.31 H new ATOM 690 N LYS A 43 -2.778 17.315 4.840 1.00 72.21 N ATOM 691 CA LYS A 43 -2.959 18.524 5.602 1.00 52.02 C ATOM 692 C LYS A 43 -4.355 19.087 5.402 1.00 54.20 C ATOM 693 O LYS A 43 -4.976 19.555 6.344 1.00 34.20 O ATOM 694 CB LYS A 43 -1.929 19.570 5.212 1.00 13.44 C ATOM 695 CG LYS A 43 -0.502 19.108 5.384 1.00 71.21 C ATOM 696 CD LYS A 43 0.496 20.223 5.147 1.00 72.12 C ATOM 697 CE LYS A 43 0.309 21.348 6.152 1.00 15.54 C ATOM 698 NZ LYS A 43 1.336 22.387 6.020 1.00 32.34 N ATOM 0 H LYS A 43 -2.326 17.449 3.936 1.00 72.21 H new ATOM 0 HA LYS A 43 -2.826 18.272 6.654 1.00 52.02 H new ATOM 0 HB2 LYS A 43 -2.087 19.853 4.171 1.00 13.44 H new ATOM 0 HB3 LYS A 43 -2.087 20.465 5.813 1.00 13.44 H new ATOM 0 HG2 LYS A 43 -0.369 18.713 6.391 1.00 71.21 H new ATOM 0 HG3 LYS A 43 -0.301 18.290 4.692 1.00 71.21 H new ATOM 0 HD2 LYS A 43 1.510 19.830 5.221 1.00 72.12 H new ATOM 0 HD3 LYS A 43 0.378 20.612 4.135 1.00 72.12 H new ATOM 0 HE2 LYS A 43 -0.676 21.794 6.016 1.00 15.54 H new ATOM 0 HE3 LYS A 43 0.337 20.939 7.162 1.00 15.54 H new ATOM 0 HZ1 LYS A 43 1.168 23.133 6.725 1.00 32.34 H new ATOM 0 HZ2 LYS A 43 2.275 21.968 6.176 1.00 32.34 H new ATOM 0 HZ3 LYS A 43 1.294 22.797 5.065 1.00 32.34 H new ATOM 712 N ASN A 44 -4.849 19.018 4.177 1.00 1.22 N ATOM 713 CA ASN A 44 -6.170 19.563 3.848 1.00 41.13 C ATOM 714 C ASN A 44 -7.295 18.722 4.458 1.00 33.32 C ATOM 715 O ASN A 44 -8.266 19.259 4.977 1.00 31.34 O ATOM 716 CB ASN A 44 -6.367 19.722 2.313 1.00 42.52 C ATOM 717 CG ASN A 44 -6.365 18.404 1.528 1.00 10.11 C ATOM 718 OD1 ASN A 44 -5.718 17.419 1.919 1.00 53.20 O ATOM 719 ND2 ASN A 44 -7.077 18.377 0.427 1.00 32.21 N ATOM 0 H ASN A 44 -4.361 18.592 3.389 1.00 1.22 H new ATOM 0 HA ASN A 44 -6.218 20.558 4.290 1.00 41.13 H new ATOM 0 HB2 ASN A 44 -7.311 20.235 2.133 1.00 42.52 H new ATOM 0 HB3 ASN A 44 -5.576 20.363 1.923 1.00 42.52 H new ATOM 0 HD21 ASN A 44 -7.111 17.528 -0.138 1.00 32.21 H new ATOM 0 HD22 ASN A 44 -7.597 19.205 0.135 1.00 32.21 H new ATOM 726 N ASN A 45 -7.150 17.416 4.396 1.00 71.33 N ATOM 727 CA ASN A 45 -8.148 16.492 4.962 1.00 24.13 C ATOM 728 C ASN A 45 -7.778 16.117 6.370 1.00 22.01 C ATOM 729 O ASN A 45 -8.621 15.697 7.153 1.00 42.04 O ATOM 730 CB ASN A 45 -8.244 15.199 4.141 1.00 40.32 C ATOM 731 CG ASN A 45 -8.787 15.366 2.740 1.00 24.24 C ATOM 732 OD1 ASN A 45 -8.658 16.400 2.123 1.00 11.12 O ATOM 733 ND2 ASN A 45 -9.371 14.328 2.231 1.00 42.42 N ATOM 0 H ASN A 45 -6.352 16.954 3.960 1.00 71.33 H new ATOM 0 HA ASN A 45 -9.107 17.010 4.943 1.00 24.13 H new ATOM 0 HB2 ASN A 45 -7.252 14.753 4.078 1.00 40.32 H new ATOM 0 HB3 ASN A 45 -8.878 14.493 4.678 1.00 40.32 H new ATOM 0 HD21 ASN A 45 -9.740 14.365 1.281 1.00 42.42 H new ATOM 0 HD22 ASN A 45 -9.462 13.473 2.780 1.00 42.42 H new ATOM 740 N ASN A 46 -6.494 16.244 6.669 1.00 14.15 N ATOM 741 CA ASN A 46 -5.900 15.890 7.972 1.00 24.02 C ATOM 742 C ASN A 46 -6.022 14.370 8.230 1.00 51.13 C ATOM 743 O ASN A 46 -5.925 13.902 9.355 1.00 52.34 O ATOM 744 CB ASN A 46 -6.517 16.726 9.114 1.00 22.34 C ATOM 745 CG ASN A 46 -5.735 16.620 10.427 1.00 51.53 C ATOM 746 OD1 ASN A 46 -4.506 16.422 10.425 1.00 54.23 O ATOM 747 ND2 ASN A 46 -6.416 16.768 11.539 1.00 23.03 N ATOM 0 H ASN A 46 -5.810 16.604 6.003 1.00 14.15 H new ATOM 0 HA ASN A 46 -4.838 16.133 7.944 1.00 24.02 H new ATOM 0 HB2 ASN A 46 -6.561 17.771 8.808 1.00 22.34 H new ATOM 0 HB3 ASN A 46 -7.543 16.399 9.282 1.00 22.34 H new ATOM 0 HD21 ASN A 46 -5.939 16.722 12.439 1.00 23.03 H new ATOM 0 HD22 ASN A 46 -7.423 16.929 11.503 1.00 23.03 H new ATOM 754 N ARG A 47 -6.163 13.598 7.159 1.00 60.25 N ATOM 755 CA ARG A 47 -6.318 12.165 7.285 1.00 31.12 C ATOM 756 C ARG A 47 -5.209 11.443 6.535 1.00 73.51 C ATOM 757 O ARG A 47 -4.654 11.994 5.585 1.00 44.42 O ATOM 758 CB ARG A 47 -7.661 11.739 6.714 1.00 24.13 C ATOM 759 CG ARG A 47 -7.764 11.799 5.207 1.00 20.14 C ATOM 760 CD ARG A 47 -9.133 11.330 4.731 1.00 52.23 C ATOM 761 NE ARG A 47 -9.254 11.289 3.256 1.00 71.24 N ATOM 762 CZ ARG A 47 -10.381 10.928 2.600 1.00 4.13 C ATOM 763 NH1 ARG A 47 -11.481 10.622 3.278 1.00 31.33 N ATOM 764 NH2 ARG A 47 -10.397 10.883 1.279 1.00 71.03 N ATOM 0 H ARG A 47 -6.172 13.944 6.200 1.00 60.25 H new ATOM 0 HA ARG A 47 -6.266 11.904 8.342 1.00 31.12 H new ATOM 0 HB2 ARG A 47 -7.869 10.719 7.037 1.00 24.13 H new ATOM 0 HB3 ARG A 47 -8.438 12.373 7.142 1.00 24.13 H new ATOM 0 HG2 ARG A 47 -7.588 12.820 4.868 1.00 20.14 H new ATOM 0 HG3 ARG A 47 -6.988 11.177 4.761 1.00 20.14 H new ATOM 0 HD2 ARG A 47 -9.330 10.336 5.133 1.00 52.23 H new ATOM 0 HD3 ARG A 47 -9.898 11.994 5.134 1.00 52.23 H new ATOM 0 HE ARG A 47 -8.439 11.549 2.701 1.00 71.24 H new ATOM 0 HH11 ARG A 47 -11.479 10.659 4.297 1.00 31.33 H new ATOM 0 HH12 ARG A 47 -12.328 10.350 2.779 1.00 31.33 H new ATOM 0 HH21 ARG A 47 -9.558 11.121 0.750 1.00 71.03 H new ATOM 0 HH22 ARG A 47 -11.249 10.610 0.788 1.00 71.03 H new ATOM 778 N GLN A 48 -4.863 10.239 6.967 1.00 4.14 N ATOM 779 CA GLN A 48 -3.913 9.428 6.225 1.00 2.32 C ATOM 780 C GLN A 48 -4.531 8.858 4.995 1.00 60.44 C ATOM 781 O GLN A 48 -5.731 8.547 4.968 1.00 4.43 O ATOM 782 CB GLN A 48 -3.255 8.336 7.056 1.00 43.41 C ATOM 783 CG GLN A 48 -2.112 8.806 7.906 1.00 65.23 C ATOM 784 CD GLN A 48 -1.555 7.712 8.797 1.00 34.14 C ATOM 785 OE1 GLN A 48 -2.268 6.807 9.209 1.00 63.00 O ATOM 786 NE2 GLN A 48 -0.294 7.801 9.112 1.00 65.04 N ATOM 0 H GLN A 48 -5.222 9.807 7.818 1.00 4.14 H new ATOM 0 HA GLN A 48 -3.113 10.109 5.934 1.00 2.32 H new ATOM 0 HB2 GLN A 48 -4.009 7.883 7.700 1.00 43.41 H new ATOM 0 HB3 GLN A 48 -2.896 7.554 6.387 1.00 43.41 H new ATOM 0 HG2 GLN A 48 -1.318 9.184 7.262 1.00 65.23 H new ATOM 0 HG3 GLN A 48 -2.444 9.639 8.525 1.00 65.23 H new ATOM 0 HE21 GLN A 48 0.269 8.570 8.749 1.00 65.04 H new ATOM 0 HE22 GLN A 48 0.130 7.102 9.721 1.00 65.04 H new ATOM 795 N VAL A 49 -3.740 8.749 3.985 1.00 52.41 N ATOM 796 CA VAL A 49 -4.189 8.243 2.741 1.00 32.14 C ATOM 797 C VAL A 49 -3.072 7.433 2.116 1.00 42.05 C ATOM 798 O VAL A 49 -1.951 7.382 2.650 1.00 32.41 O ATOM 799 CB VAL A 49 -4.604 9.398 1.785 1.00 31.42 C ATOM 800 CG1 VAL A 49 -3.430 10.061 1.049 1.00 4.41 C ATOM 801 CG2 VAL A 49 -5.767 9.014 0.885 1.00 44.22 C ATOM 0 H VAL A 49 -2.755 9.012 4.002 1.00 52.41 H new ATOM 0 HA VAL A 49 -5.064 7.615 2.906 1.00 32.14 H new ATOM 0 HB VAL A 49 -4.979 10.193 2.429 1.00 31.42 H new ATOM 0 HG11 VAL A 49 -3.807 10.855 0.404 1.00 4.41 H new ATOM 0 HG12 VAL A 49 -2.736 10.483 1.776 1.00 4.41 H new ATOM 0 HG13 VAL A 49 -2.913 9.316 0.444 1.00 4.41 H new ATOM 0 HG21 VAL A 49 -6.018 9.854 0.237 1.00 44.22 H new ATOM 0 HG22 VAL A 49 -5.487 8.156 0.274 1.00 44.22 H new ATOM 0 HG23 VAL A 49 -6.631 8.757 1.497 1.00 44.22 H new ATOM 811 N CYS A 50 -3.359 6.842 1.003 1.00 0.12 N ATOM 812 CA CYS A 50 -2.413 6.025 0.320 1.00 60.41 C ATOM 813 C CYS A 50 -1.851 6.693 -0.912 1.00 43.00 C ATOM 814 O CYS A 50 -2.583 7.133 -1.818 1.00 34.32 O ATOM 815 CB CYS A 50 -2.990 4.667 0.009 1.00 11.11 C ATOM 816 SG CYS A 50 -3.336 3.687 1.502 1.00 23.24 S ATOM 0 H CYS A 50 -4.264 6.914 0.539 1.00 0.12 H new ATOM 0 HA CYS A 50 -1.571 5.881 0.997 1.00 60.41 H new ATOM 0 HB2 CYS A 50 -3.911 4.791 -0.560 1.00 11.11 H new ATOM 0 HB3 CYS A 50 -2.294 4.119 -0.626 1.00 11.11 H new ATOM 821 N ILE A 51 -0.565 6.776 -0.917 1.00 52.03 N ATOM 822 CA ILE A 51 0.208 7.344 -1.962 1.00 62.30 C ATOM 823 C ILE A 51 0.716 6.250 -2.893 1.00 42.32 C ATOM 824 O ILE A 51 1.168 5.181 -2.441 1.00 33.34 O ATOM 825 CB ILE A 51 1.410 8.125 -1.367 1.00 14.31 C ATOM 826 CG1 ILE A 51 0.948 9.402 -0.674 1.00 1.41 C ATOM 827 CG2 ILE A 51 2.470 8.421 -2.379 1.00 44.33 C ATOM 828 CD1 ILE A 51 2.093 10.277 -0.209 1.00 0.51 C ATOM 0 H ILE A 51 0.006 6.429 -0.146 1.00 52.03 H new ATOM 0 HA ILE A 51 -0.420 8.030 -2.530 1.00 62.30 H new ATOM 0 HB ILE A 51 1.863 7.471 -0.622 1.00 14.31 H new ATOM 0 HG12 ILE A 51 0.319 9.971 -1.358 1.00 1.41 H new ATOM 0 HG13 ILE A 51 0.329 9.139 0.184 1.00 1.41 H new ATOM 0 HG21 ILE A 51 3.284 8.968 -1.904 1.00 44.33 H new ATOM 0 HG22 ILE A 51 2.852 7.486 -2.790 1.00 44.33 H new ATOM 0 HG23 ILE A 51 2.048 9.024 -3.183 1.00 44.33 H new ATOM 0 HD11 ILE A 51 1.696 11.169 0.276 1.00 0.51 H new ATOM 0 HD12 ILE A 51 2.710 9.723 0.499 1.00 0.51 H new ATOM 0 HD13 ILE A 51 2.699 10.569 -1.067 1.00 0.51 H new ATOM 840 N ASP A 52 0.628 6.517 -4.165 1.00 14.33 N ATOM 841 CA ASP A 52 1.082 5.630 -5.187 1.00 73.30 C ATOM 842 C ASP A 52 2.549 5.861 -5.480 1.00 63.34 C ATOM 843 O ASP A 52 3.015 6.996 -5.504 1.00 51.11 O ATOM 844 CB ASP A 52 0.263 5.837 -6.457 1.00 1.53 C ATOM 845 CG ASP A 52 0.288 7.224 -6.949 1.00 22.00 C ATOM 846 OD1 ASP A 52 -0.280 8.082 -6.258 1.00 31.34 O ATOM 847 OD2 ASP A 52 0.833 7.470 -8.047 1.00 52.44 O ATOM 0 H ASP A 52 0.227 7.383 -4.525 1.00 14.33 H new ATOM 0 HA ASP A 52 0.953 4.606 -4.838 1.00 73.30 H new ATOM 0 HB2 ASP A 52 0.642 5.176 -7.237 1.00 1.53 H new ATOM 0 HB3 ASP A 52 -0.770 5.546 -6.266 1.00 1.53 H new ATOM 852 N PRO A 53 3.311 4.786 -5.706 1.00 65.44 N ATOM 853 CA PRO A 53 4.736 4.883 -6.046 1.00 24.21 C ATOM 854 C PRO A 53 4.932 5.347 -7.496 1.00 21.13 C ATOM 855 O PRO A 53 6.049 5.436 -7.993 1.00 33.42 O ATOM 856 CB PRO A 53 5.221 3.442 -5.894 1.00 51.34 C ATOM 857 CG PRO A 53 4.021 2.633 -6.207 1.00 51.21 C ATOM 858 CD PRO A 53 2.867 3.385 -5.620 1.00 4.24 C ATOM 0 HA PRO A 53 5.270 5.601 -5.423 1.00 24.21 H new ATOM 0 HB2 PRO A 53 6.042 3.222 -6.577 1.00 51.34 H new ATOM 0 HB3 PRO A 53 5.584 3.246 -4.885 1.00 51.34 H new ATOM 0 HG2 PRO A 53 3.902 2.508 -7.283 1.00 51.21 H new ATOM 0 HG3 PRO A 53 4.098 1.634 -5.777 1.00 51.21 H new ATOM 0 HD2 PRO A 53 1.948 3.217 -6.181 1.00 4.24 H new ATOM 0 HD3 PRO A 53 2.671 3.086 -4.590 1.00 4.24 H new ATOM 866 N LYS A 54 3.828 5.616 -8.169 1.00 41.41 N ATOM 867 CA LYS A 54 3.846 6.067 -9.547 1.00 55.12 C ATOM 868 C LYS A 54 4.128 7.553 -9.604 1.00 52.43 C ATOM 869 O LYS A 54 4.603 8.066 -10.611 1.00 3.45 O ATOM 870 CB LYS A 54 2.513 5.782 -10.212 1.00 20.05 C ATOM 871 CG LYS A 54 2.111 4.321 -10.196 1.00 74.14 C ATOM 872 CD LYS A 54 0.793 4.103 -10.915 1.00 40.40 C ATOM 873 CE LYS A 54 -0.354 4.866 -10.259 1.00 52.02 C ATOM 874 NZ LYS A 54 -1.629 4.633 -10.959 1.00 40.43 N ATOM 0 H LYS A 54 2.892 5.527 -7.774 1.00 41.41 H new ATOM 0 HA LYS A 54 4.632 5.528 -10.076 1.00 55.12 H new ATOM 0 HB2 LYS A 54 1.739 6.366 -9.714 1.00 20.05 H new ATOM 0 HB3 LYS A 54 2.555 6.125 -11.246 1.00 20.05 H new ATOM 0 HG2 LYS A 54 2.889 3.722 -10.670 1.00 74.14 H new ATOM 0 HG3 LYS A 54 2.027 3.976 -9.165 1.00 74.14 H new ATOM 0 HD2 LYS A 54 0.891 4.420 -11.953 1.00 40.40 H new ATOM 0 HD3 LYS A 54 0.559 3.038 -10.927 1.00 40.40 H new ATOM 0 HE2 LYS A 54 -0.448 4.558 -9.218 1.00 52.02 H new ATOM 0 HE3 LYS A 54 -0.129 5.932 -10.257 1.00 52.02 H new ATOM 0 HZ1 LYS A 54 -2.387 5.166 -10.487 1.00 40.43 H new ATOM 0 HZ2 LYS A 54 -1.546 4.950 -11.946 1.00 40.43 H new ATOM 0 HZ3 LYS A 54 -1.856 3.618 -10.939 1.00 40.43 H new ATOM 888 N LEU A 55 3.830 8.226 -8.513 1.00 3.14 N ATOM 889 CA LEU A 55 4.040 9.646 -8.368 1.00 1.43 C ATOM 890 C LEU A 55 5.496 10.019 -8.577 1.00 4.14 C ATOM 891 O LEU A 55 6.386 9.473 -7.938 1.00 34.45 O ATOM 892 CB LEU A 55 3.551 10.071 -6.995 1.00 63.14 C ATOM 893 CG LEU A 55 2.031 10.069 -6.798 1.00 73.41 C ATOM 894 CD1 LEU A 55 1.685 10.279 -5.356 1.00 72.04 C ATOM 895 CD2 LEU A 55 1.365 11.136 -7.651 1.00 22.45 C ATOM 0 H LEU A 55 3.426 7.789 -7.685 1.00 3.14 H new ATOM 0 HA LEU A 55 3.474 10.174 -9.135 1.00 1.43 H new ATOM 0 HB2 LEU A 55 3.996 9.410 -6.251 1.00 63.14 H new ATOM 0 HB3 LEU A 55 3.923 11.075 -6.792 1.00 63.14 H new ATOM 0 HG LEU A 55 1.658 9.094 -7.113 1.00 73.41 H new ATOM 0 HD11 LEU A 55 0.601 10.274 -5.237 1.00 72.04 H new ATOM 0 HD12 LEU A 55 2.119 9.478 -4.757 1.00 72.04 H new ATOM 0 HD13 LEU A 55 2.082 11.238 -5.022 1.00 72.04 H new ATOM 0 HD21 LEU A 55 0.287 11.110 -7.490 1.00 22.45 H new ATOM 0 HD22 LEU A 55 1.750 12.117 -7.373 1.00 22.45 H new ATOM 0 HD23 LEU A 55 1.579 10.947 -8.703 1.00 22.45 H new ATOM 907 N LYS A 56 5.724 10.950 -9.480 1.00 10.11 N ATOM 908 CA LYS A 56 7.058 11.387 -9.851 1.00 32.55 C ATOM 909 C LYS A 56 7.822 11.951 -8.654 1.00 25.34 C ATOM 910 O LYS A 56 9.020 11.699 -8.499 1.00 1.22 O ATOM 911 CB LYS A 56 6.987 12.425 -10.979 1.00 74.11 C ATOM 912 CG LYS A 56 8.349 12.898 -11.475 1.00 2.22 C ATOM 913 CD LYS A 56 8.239 13.931 -12.591 1.00 52.33 C ATOM 914 CE LYS A 56 7.542 15.201 -12.124 1.00 71.43 C ATOM 915 NZ LYS A 56 7.485 16.226 -13.186 1.00 63.32 N ATOM 0 H LYS A 56 4.980 11.432 -9.985 1.00 10.11 H new ATOM 0 HA LYS A 56 7.604 10.513 -10.208 1.00 32.55 H new ATOM 0 HB2 LYS A 56 6.435 11.999 -11.817 1.00 74.11 H new ATOM 0 HB3 LYS A 56 6.420 13.288 -10.630 1.00 74.11 H new ATOM 0 HG2 LYS A 56 8.906 13.326 -10.642 1.00 2.22 H new ATOM 0 HG3 LYS A 56 8.919 12.041 -11.833 1.00 2.22 H new ATOM 0 HD2 LYS A 56 9.236 14.178 -12.957 1.00 52.33 H new ATOM 0 HD3 LYS A 56 7.689 13.503 -13.429 1.00 52.33 H new ATOM 0 HE2 LYS A 56 6.530 14.960 -11.799 1.00 71.43 H new ATOM 0 HE3 LYS A 56 8.067 15.605 -11.259 1.00 71.43 H new ATOM 0 HZ1 LYS A 56 7.002 17.074 -12.825 1.00 63.32 H new ATOM 0 HZ2 LYS A 56 8.451 16.476 -13.479 1.00 63.32 H new ATOM 0 HZ3 LYS A 56 6.961 15.851 -14.003 1.00 63.32 H new ATOM 929 N TRP A 57 7.128 12.679 -7.775 1.00 42.32 N ATOM 930 CA TRP A 57 7.804 13.270 -6.621 1.00 12.21 C ATOM 931 C TRP A 57 8.162 12.195 -5.594 1.00 43.32 C ATOM 932 O TRP A 57 8.975 12.421 -4.687 1.00 71.05 O ATOM 933 CB TRP A 57 6.987 14.413 -5.969 1.00 35.10 C ATOM 934 CG TRP A 57 5.721 14.006 -5.248 1.00 50.31 C ATOM 935 CD1 TRP A 57 4.459 13.943 -5.752 1.00 62.41 C ATOM 936 CD2 TRP A 57 5.610 13.631 -3.865 1.00 55.32 C ATOM 937 NE1 TRP A 57 3.581 13.559 -4.766 1.00 10.44 N ATOM 938 CE2 TRP A 57 4.257 13.361 -3.612 1.00 64.54 C ATOM 939 CE3 TRP A 57 6.522 13.500 -2.828 1.00 11.04 C ATOM 940 CZ2 TRP A 57 3.795 12.968 -2.361 1.00 33.14 C ATOM 941 CZ3 TRP A 57 6.069 13.110 -1.592 1.00 22.03 C ATOM 942 CH2 TRP A 57 4.715 12.848 -1.363 1.00 43.32 C ATOM 0 H TRP A 57 6.128 12.869 -7.837 1.00 42.32 H new ATOM 0 HA TRP A 57 8.725 13.720 -6.991 1.00 12.21 H new ATOM 0 HB2 TRP A 57 7.632 14.933 -5.261 1.00 35.10 H new ATOM 0 HB3 TRP A 57 6.723 15.131 -6.746 1.00 35.10 H new ATOM 0 HD1 TRP A 57 4.187 14.162 -6.774 1.00 62.41 H new ATOM 0 HE1 TRP A 57 2.575 13.442 -4.887 1.00 10.44 H new ATOM 0 HE3 TRP A 57 7.571 13.701 -2.990 1.00 11.04 H new ATOM 0 HZ2 TRP A 57 2.748 12.766 -2.187 1.00 33.14 H new ATOM 0 HZ3 TRP A 57 6.773 13.003 -0.780 1.00 22.03 H new ATOM 0 HH2 TRP A 57 4.392 12.545 -0.378 1.00 43.32 H new ATOM 953 N ILE A 58 7.572 11.030 -5.758 1.00 63.21 N ATOM 954 CA ILE A 58 7.806 9.910 -4.898 1.00 34.12 C ATOM 955 C ILE A 58 9.148 9.271 -5.198 1.00 4.02 C ATOM 956 O ILE A 58 9.816 8.804 -4.298 1.00 52.35 O ATOM 957 CB ILE A 58 6.630 8.906 -4.968 1.00 63.50 C ATOM 958 CG1 ILE A 58 5.401 9.490 -4.287 1.00 24.20 C ATOM 959 CG2 ILE A 58 6.964 7.558 -4.402 1.00 61.04 C ATOM 960 CD1 ILE A 58 5.600 9.788 -2.818 1.00 50.23 C ATOM 0 H ILE A 58 6.907 10.841 -6.508 1.00 63.21 H new ATOM 0 HA ILE A 58 7.853 10.261 -3.867 1.00 34.12 H new ATOM 0 HB ILE A 58 6.418 8.744 -6.025 1.00 63.50 H new ATOM 0 HG12 ILE A 58 5.116 10.409 -4.799 1.00 24.20 H new ATOM 0 HG13 ILE A 58 4.570 8.793 -4.397 1.00 24.20 H new ATOM 0 HG21 ILE A 58 6.096 6.904 -4.483 1.00 61.04 H new ATOM 0 HG22 ILE A 58 7.796 7.126 -4.958 1.00 61.04 H new ATOM 0 HG23 ILE A 58 7.243 7.663 -3.354 1.00 61.04 H new ATOM 0 HD11 ILE A 58 4.681 10.201 -2.403 1.00 50.23 H new ATOM 0 HD12 ILE A 58 5.855 8.868 -2.291 1.00 50.23 H new ATOM 0 HD13 ILE A 58 6.408 10.510 -2.699 1.00 50.23 H new ATOM 972 N GLN A 59 9.559 9.295 -6.455 1.00 53.53 N ATOM 973 CA GLN A 59 10.895 8.825 -6.811 1.00 51.25 C ATOM 974 C GLN A 59 11.935 9.685 -6.138 1.00 11.32 C ATOM 975 O GLN A 59 12.919 9.183 -5.604 1.00 42.02 O ATOM 976 CB GLN A 59 11.101 8.767 -8.318 1.00 21.32 C ATOM 977 CG GLN A 59 10.517 7.517 -8.978 1.00 64.54 C ATOM 978 CD GLN A 59 9.060 7.281 -8.686 1.00 14.22 C ATOM 979 OE1 GLN A 59 8.203 7.820 -9.504 1.00 75.40 O flip ATOM 980 NE2 GLN A 59 8.714 6.606 -7.717 1.00 62.32 N flip ATOM 0 H GLN A 59 8.999 9.629 -7.239 1.00 53.53 H new ATOM 0 HA GLN A 59 11.003 7.802 -6.452 1.00 51.25 H new ATOM 0 HB2 GLN A 59 10.648 9.649 -8.770 1.00 21.32 H new ATOM 0 HB3 GLN A 59 12.169 8.812 -8.530 1.00 21.32 H new ATOM 0 HG2 GLN A 59 10.650 7.595 -10.057 1.00 64.54 H new ATOM 0 HG3 GLN A 59 11.086 6.648 -8.648 1.00 64.54 H new ATOM 0 HE21 GLN A 59 9.418 6.201 -7.100 1.00 62.32 H new ATOM 0 HE22 GLN A 59 7.723 6.451 -7.531 1.00 62.32 H new ATOM 989 N GLU A 60 11.677 10.989 -6.134 1.00 32.21 N ATOM 990 CA GLU A 60 12.493 11.946 -5.401 1.00 0.43 C ATOM 991 C GLU A 60 12.539 11.567 -3.941 1.00 62.11 C ATOM 992 O GLU A 60 13.599 11.481 -3.341 1.00 34.41 O ATOM 993 CB GLU A 60 11.896 13.337 -5.527 1.00 62.11 C ATOM 994 CG GLU A 60 12.099 13.991 -6.864 1.00 14.30 C ATOM 995 CD GLU A 60 13.542 14.321 -7.073 1.00 30.20 C ATOM 996 OE1 GLU A 60 13.994 15.386 -6.575 1.00 12.34 O ATOM 997 OE2 GLU A 60 14.257 13.534 -7.717 1.00 63.23 O ATOM 0 H GLU A 60 10.897 11.410 -6.639 1.00 32.21 H new ATOM 0 HA GLU A 60 13.501 11.938 -5.817 1.00 0.43 H new ATOM 0 HB2 GLU A 60 10.826 13.278 -5.326 1.00 62.11 H new ATOM 0 HB3 GLU A 60 12.330 13.975 -4.757 1.00 62.11 H new ATOM 0 HG2 GLU A 60 11.754 13.327 -7.656 1.00 14.30 H new ATOM 0 HG3 GLU A 60 11.500 14.899 -6.926 1.00 14.30 H new ATOM 1004 N TYR A 61 11.373 11.320 -3.397 1.00 61.24 N ATOM 1005 CA TYR A 61 11.213 10.949 -2.015 1.00 54.04 C ATOM 1006 C TYR A 61 11.970 9.672 -1.688 1.00 20.33 C ATOM 1007 O TYR A 61 12.697 9.633 -0.732 1.00 74.14 O ATOM 1008 CB TYR A 61 9.720 10.832 -1.657 1.00 4.00 C ATOM 1009 CG TYR A 61 9.439 10.234 -0.295 1.00 52.12 C ATOM 1010 CD1 TYR A 61 9.881 10.847 0.869 1.00 72.12 C ATOM 1011 CD2 TYR A 61 8.752 9.035 -0.185 1.00 0.51 C ATOM 1012 CE1 TYR A 61 9.638 10.285 2.105 1.00 72.31 C ATOM 1013 CE2 TYR A 61 8.505 8.466 1.040 1.00 34.11 C ATOM 1014 CZ TYR A 61 8.950 9.093 2.186 1.00 42.25 C ATOM 1015 OH TYR A 61 8.709 8.521 3.414 1.00 1.50 O ATOM 0 H TYR A 61 10.494 11.372 -3.912 1.00 61.24 H new ATOM 0 HA TYR A 61 11.645 11.739 -1.401 1.00 54.04 H new ATOM 0 HB2 TYR A 61 9.271 11.824 -1.702 1.00 4.00 H new ATOM 0 HB3 TYR A 61 9.226 10.224 -2.414 1.00 4.00 H new ATOM 0 HD1 TYR A 61 10.424 11.779 0.806 1.00 72.12 H new ATOM 0 HD2 TYR A 61 8.405 8.539 -1.079 1.00 0.51 H new ATOM 0 HE1 TYR A 61 9.984 10.775 3.003 1.00 72.31 H new ATOM 0 HE2 TYR A 61 7.965 7.533 1.106 1.00 34.11 H new ATOM 0 HH TYR A 61 7.875 8.008 3.378 1.00 1.50 H new ATOM 1025 N LEU A 62 11.815 8.661 -2.505 1.00 32.32 N ATOM 1026 CA LEU A 62 12.463 7.380 -2.275 1.00 1.42 C ATOM 1027 C LEU A 62 13.965 7.491 -2.312 1.00 11.44 C ATOM 1028 O LEU A 62 14.646 7.123 -1.350 1.00 42.10 O ATOM 1029 CB LEU A 62 11.989 6.346 -3.290 1.00 34.40 C ATOM 1030 CG LEU A 62 10.513 5.997 -3.228 1.00 25.04 C ATOM 1031 CD1 LEU A 62 10.157 5.001 -4.311 1.00 73.11 C ATOM 1032 CD2 LEU A 62 10.164 5.456 -1.856 1.00 41.24 C ATOM 0 H LEU A 62 11.240 8.695 -3.347 1.00 32.32 H new ATOM 0 HA LEU A 62 12.180 7.054 -1.274 1.00 1.42 H new ATOM 0 HB2 LEU A 62 12.215 6.715 -4.291 1.00 34.40 H new ATOM 0 HB3 LEU A 62 12.567 5.432 -3.148 1.00 34.40 H new ATOM 0 HG LEU A 62 9.929 6.901 -3.400 1.00 25.04 H new ATOM 0 HD11 LEU A 62 9.095 4.763 -4.251 1.00 73.11 H new ATOM 0 HD12 LEU A 62 10.378 5.431 -5.288 1.00 73.11 H new ATOM 0 HD13 LEU A 62 10.741 4.091 -4.175 1.00 73.11 H new ATOM 0 HD21 LEU A 62 9.103 5.209 -1.822 1.00 41.24 H new ATOM 0 HD22 LEU A 62 10.752 4.560 -1.658 1.00 41.24 H new ATOM 0 HD23 LEU A 62 10.385 6.210 -1.101 1.00 41.24 H new ATOM 1044 N GLU A 63 14.485 8.043 -3.383 1.00 32.55 N ATOM 1045 CA GLU A 63 15.928 8.140 -3.546 1.00 45.23 C ATOM 1046 C GLU A 63 16.540 9.001 -2.481 1.00 61.51 C ATOM 1047 O GLU A 63 17.601 8.691 -1.986 1.00 12.11 O ATOM 1048 CB GLU A 63 16.317 8.662 -4.925 1.00 43.31 C ATOM 1049 CG GLU A 63 15.689 7.912 -6.074 1.00 54.35 C ATOM 1050 CD GLU A 63 16.246 8.328 -7.412 1.00 51.20 C ATOM 1051 OE1 GLU A 63 15.978 9.463 -7.869 1.00 63.41 O ATOM 1052 OE2 GLU A 63 16.950 7.514 -8.041 1.00 2.42 O ATOM 0 H GLU A 63 13.940 8.431 -4.153 1.00 32.55 H new ATOM 0 HA GLU A 63 16.319 7.127 -3.448 1.00 45.23 H new ATOM 0 HB2 GLU A 63 16.035 9.713 -4.995 1.00 43.31 H new ATOM 0 HB3 GLU A 63 17.401 8.615 -5.026 1.00 43.31 H new ATOM 0 HG2 GLU A 63 15.848 6.843 -5.935 1.00 54.35 H new ATOM 0 HG3 GLU A 63 14.612 8.078 -6.066 1.00 54.35 H new ATOM 1059 N LYS A 64 15.859 10.051 -2.112 1.00 30.55 N ATOM 1060 CA LYS A 64 16.377 10.970 -1.149 1.00 24.24 C ATOM 1061 C LYS A 64 16.121 10.563 0.303 1.00 31.13 C ATOM 1062 O LYS A 64 16.884 10.935 1.195 1.00 64.43 O ATOM 1063 CB LYS A 64 15.921 12.352 -1.481 1.00 3.44 C ATOM 1064 CG LYS A 64 16.502 12.757 -2.822 1.00 72.03 C ATOM 1065 CD LYS A 64 16.045 14.089 -3.248 1.00 11.23 C ATOM 1066 CE LYS A 64 16.708 14.485 -4.563 1.00 72.32 C ATOM 1067 NZ LYS A 64 16.202 15.760 -5.105 1.00 14.23 N ATOM 0 H LYS A 64 14.934 10.289 -2.471 1.00 30.55 H new ATOM 0 HA LYS A 64 17.465 10.949 -1.218 1.00 24.24 H new ATOM 0 HB2 LYS A 64 14.832 12.391 -1.516 1.00 3.44 H new ATOM 0 HB3 LYS A 64 16.240 13.050 -0.707 1.00 3.44 H new ATOM 0 HG2 LYS A 64 17.590 12.751 -2.761 1.00 72.03 H new ATOM 0 HG3 LYS A 64 16.221 12.021 -3.575 1.00 72.03 H new ATOM 0 HD2 LYS A 64 14.961 14.088 -3.366 1.00 11.23 H new ATOM 0 HD3 LYS A 64 16.281 14.824 -2.479 1.00 11.23 H new ATOM 0 HE2 LYS A 64 17.785 14.563 -4.411 1.00 72.32 H new ATOM 0 HE3 LYS A 64 16.546 13.695 -5.297 1.00 72.32 H new ATOM 0 HZ1 LYS A 64 16.748 16.018 -5.952 1.00 14.23 H new ATOM 0 HZ2 LYS A 64 15.199 15.656 -5.358 1.00 14.23 H new ATOM 0 HZ3 LYS A 64 16.302 16.506 -4.388 1.00 14.23 H new ATOM 1081 N ALA A 65 15.074 9.768 0.548 1.00 72.01 N ATOM 1082 CA ALA A 65 14.819 9.261 1.898 1.00 61.04 C ATOM 1083 C ALA A 65 15.783 8.140 2.213 1.00 64.34 C ATOM 1084 O ALA A 65 16.236 7.994 3.340 1.00 71.43 O ATOM 1085 CB ALA A 65 13.381 8.785 2.066 1.00 1.32 C ATOM 0 H ALA A 65 14.401 9.467 -0.157 1.00 72.01 H new ATOM 0 HA ALA A 65 14.972 10.082 2.598 1.00 61.04 H new ATOM 0 HB1 ALA A 65 13.236 8.417 3.082 1.00 1.32 H new ATOM 0 HB2 ALA A 65 12.699 9.615 1.879 1.00 1.32 H new ATOM 0 HB3 ALA A 65 13.178 7.982 1.357 1.00 1.32 H new ATOM 1091 N LEU A 66 16.085 7.336 1.216 1.00 4.40 N ATOM 1092 CA LEU A 66 17.058 6.287 1.368 1.00 42.51 C ATOM 1093 C LEU A 66 18.479 6.807 1.243 1.00 44.42 C ATOM 1094 O LEU A 66 19.407 6.215 1.794 1.00 33.11 O ATOM 1095 CB LEU A 66 16.801 5.123 0.416 1.00 75.24 C ATOM 1096 CG LEU A 66 15.637 4.174 0.784 1.00 45.43 C ATOM 1097 CD1 LEU A 66 15.856 3.518 2.142 1.00 43.40 C ATOM 1098 CD2 LEU A 66 14.269 4.843 0.716 1.00 11.24 C ATOM 0 H LEU A 66 15.665 7.393 0.288 1.00 4.40 H new ATOM 0 HA LEU A 66 16.944 5.902 2.381 1.00 42.51 H new ATOM 0 HB2 LEU A 66 16.608 5.530 -0.576 1.00 75.24 H new ATOM 0 HB3 LEU A 66 17.714 4.532 0.346 1.00 75.24 H new ATOM 0 HG LEU A 66 15.638 3.395 0.022 1.00 45.43 H new ATOM 0 HD11 LEU A 66 15.018 2.858 2.367 1.00 43.40 H new ATOM 0 HD12 LEU A 66 16.779 2.938 2.121 1.00 43.40 H new ATOM 0 HD13 LEU A 66 15.928 4.288 2.910 1.00 43.40 H new ATOM 0 HD21 LEU A 66 13.497 4.122 0.986 1.00 11.24 H new ATOM 0 HD22 LEU A 66 14.240 5.683 1.410 1.00 11.24 H new ATOM 0 HD23 LEU A 66 14.090 5.204 -0.297 1.00 11.24 H new ATOM 1110 N ASN A 67 18.658 7.898 0.495 1.00 11.12 N ATOM 1111 CA ASN A 67 19.984 8.552 0.392 1.00 64.40 C ATOM 1112 C ASN A 67 20.442 9.044 1.758 1.00 62.31 C ATOM 1113 O ASN A 67 21.581 8.787 2.188 1.00 10.13 O ATOM 1114 CB ASN A 67 19.946 9.756 -0.554 1.00 11.23 C ATOM 1115 CG ASN A 67 21.324 10.327 -0.825 1.00 3.53 C ATOM 1116 OD1 ASN A 67 21.807 11.204 -0.114 1.00 11.01 O ATOM 1117 ND2 ASN A 67 21.964 9.836 -1.856 1.00 75.24 N ATOM 0 H ASN A 67 17.919 8.349 -0.045 1.00 11.12 H new ATOM 0 HA ASN A 67 20.676 7.805 0.002 1.00 64.40 H new ATOM 0 HB2 ASN A 67 19.488 9.458 -1.497 1.00 11.23 H new ATOM 0 HB3 ASN A 67 19.313 10.532 -0.123 1.00 11.23 H new ATOM 0 HD21 ASN A 67 22.895 10.182 -2.090 1.00 75.24 H new ATOM 0 HD22 ASN A 67 21.532 9.108 -2.425 1.00 75.24 H new ATOM 1124 N LYS A 68 19.562 9.746 2.439 1.00 72.11 N ATOM 1125 CA LYS A 68 19.869 10.283 3.730 1.00 64.52 C ATOM 1126 C LYS A 68 18.824 9.861 4.733 1.00 42.15 C ATOM 1127 O LYS A 68 17.753 10.512 4.817 1.00 39.05 O ATOM 1128 CB LYS A 68 20.005 11.799 3.676 1.00 33.35 C ATOM 1129 CG LYS A 68 20.398 12.428 5.009 1.00 14.35 C ATOM 1130 CD LYS A 68 20.610 13.922 4.881 1.00 1.12 C ATOM 1131 CE LYS A 68 21.762 14.240 3.942 1.00 64.54 C ATOM 1132 NZ LYS A 68 21.989 15.688 3.805 1.00 13.11 N ATOM 1133 OXT LYS A 68 19.069 8.875 5.447 1.00 39.05 O ATOM 0 H LYS A 68 18.620 9.955 2.108 1.00 72.11 H new ATOM 0 HA LYS A 68 20.831 9.883 4.050 1.00 64.52 H new ATOM 0 HB2 LYS A 68 20.752 12.061 2.927 1.00 33.35 H new ATOM 0 HB3 LYS A 68 19.059 12.228 3.347 1.00 33.35 H new ATOM 0 HG2 LYS A 68 19.620 12.232 5.747 1.00 14.35 H new ATOM 0 HG3 LYS A 68 21.311 11.961 5.377 1.00 14.35 H new ATOM 0 HD2 LYS A 68 19.698 14.390 4.512 1.00 1.12 H new ATOM 0 HD3 LYS A 68 20.811 14.348 5.864 1.00 1.12 H new ATOM 0 HE2 LYS A 68 22.671 13.766 4.312 1.00 64.54 H new ATOM 0 HE3 LYS A 68 21.556 13.812 2.961 1.00 64.54 H new ATOM 0 HZ1 LYS A 68 22.784 15.855 3.155 1.00 13.11 H new ATOM 0 HZ2 LYS A 68 21.132 16.139 3.427 1.00 13.11 H new ATOM 0 HZ3 LYS A 68 22.212 16.094 4.736 1.00 13.11 H new TER 1147 LYS A 68