USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1017 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: B 57 LYS NZ :NH3+ 167:sc= -0.23 (180deg=-0.769) USER MOD Set 1.2: B 64 TYR OH : rot 90:sc= 0.0879 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -166:sc= 0.987 (180deg=0.00326) USER MOD Set 2.2: A 64 TYR OH : rot -104:sc= 0.96 USER MOD Set 3.1: A 50 ASN : amide:sc= 1.02 K(o=2.3,f=-11!) USER MOD Set 3.2: B 3 LYS NZ :NH3+ 144:sc= 1.25 (180deg=-4.04e-05) USER MOD Set 4.1: A 12 LYS NZ :NH3+ 177:sc= 0.591 (180deg=0.582) USER MOD Set 4.2: A 33 ASN : amide:sc= 0 K(o=0.59,f=-4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.675 K(o=0.67,f=-0.27) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.098 X(o=-0.098,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.0357 (180deg=0.0357) USER MOD Single : A 35 SER OG : rot 180:sc= -0.167 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 78:sc= 0.424 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -3.41! C(o=-3.4!,f=-9.2!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= 0.164 K(o=0.16,f=-0.66) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 173:sc= -3.69! (180deg=-4.13!) USER MOD Single : B 33 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 8:sc= 0.688 USER MOD Single : B 39 THR OG1 : rot 73:sc= 0.0699 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 51 LYS NZ :NH3+ 162:sc= 0.254 (180deg=0.153) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.780 13.504 6.378 1.00 42.13 N ATOM 55 CA LYS A 4 -3.178 13.768 6.777 1.00 5.54 C ATOM 56 C LYS A 4 -4.196 13.074 5.831 1.00 74.44 C ATOM 57 O LYS A 4 -5.264 12.664 6.277 1.00 15.35 O ATOM 58 CB LYS A 4 -3.457 15.297 6.839 1.00 33.52 C ATOM 59 CG LYS A 4 -3.235 16.059 5.508 1.00 53.45 C ATOM 60 CD LYS A 4 -3.684 17.538 5.558 1.00 71.42 C ATOM 61 CE LYS A 4 -5.203 17.691 5.767 1.00 2.14 C ATOM 62 NZ LYS A 4 -5.635 19.105 5.699 1.00 14.41 N ATOM 0 HA LYS A 4 -3.310 13.344 7.772 1.00 5.54 H new ATOM 0 HB2 LYS A 4 -4.487 15.450 7.160 1.00 33.52 H new ATOM 0 HB3 LYS A 4 -2.816 15.737 7.603 1.00 33.52 H new ATOM 0 HG2 LYS A 4 -2.177 16.018 5.248 1.00 53.45 H new ATOM 0 HG3 LYS A 4 -3.779 15.550 4.713 1.00 53.45 H new ATOM 0 HD2 LYS A 4 -3.157 18.046 6.366 1.00 71.42 H new ATOM 0 HD3 LYS A 4 -3.397 18.032 4.630 1.00 71.42 H new ATOM 0 HE2 LYS A 4 -5.733 17.114 5.009 1.00 2.14 H new ATOM 0 HE3 LYS A 4 -5.479 17.274 6.736 1.00 2.14 H new ATOM 0 HZ1 LYS A 4 -6.663 19.161 5.845 1.00 14.41 H new ATOM 0 HZ2 LYS A 4 -5.150 19.652 6.439 1.00 14.41 H new ATOM 0 HZ3 LYS A 4 -5.396 19.497 4.766 1.00 14.41 H new ATOM 76 N ILE A 5 -3.851 12.965 4.527 1.00 22.31 N ATOM 77 CA ILE A 5 -4.712 12.305 3.513 1.00 41.54 C ATOM 78 C ILE A 5 -4.785 10.783 3.757 1.00 43.25 C ATOM 79 O ILE A 5 -5.870 10.233 3.955 1.00 40.02 O ATOM 80 CB ILE A 5 -4.203 12.588 2.044 1.00 62.12 C ATOM 81 CG1 ILE A 5 -4.245 14.120 1.733 1.00 62.22 C ATOM 82 CG2 ILE A 5 -5.019 11.785 0.988 1.00 44.30 C ATOM 83 CD1 ILE A 5 -3.668 14.518 0.378 1.00 44.10 C ATOM 0 H ILE A 5 -2.976 13.328 4.149 1.00 22.31 H new ATOM 0 HA ILE A 5 -5.711 12.729 3.617 1.00 41.54 H new ATOM 0 HB ILE A 5 -3.169 12.250 1.982 1.00 62.12 H new ATOM 0 HG12 ILE A 5 -5.280 14.458 1.784 1.00 62.22 H new ATOM 0 HG13 ILE A 5 -3.698 14.649 2.514 1.00 62.22 H new ATOM 0 HG21 ILE A 5 -4.640 12.006 -0.010 1.00 44.30 H new ATOM 0 HG22 ILE A 5 -4.919 10.718 1.186 1.00 44.30 H new ATOM 0 HG23 ILE A 5 -6.070 12.069 1.048 1.00 44.30 H new ATOM 0 HD11 ILE A 5 -3.742 15.598 0.254 1.00 44.10 H new ATOM 0 HD12 ILE A 5 -2.622 14.217 0.326 1.00 44.10 H new ATOM 0 HD13 ILE A 5 -4.228 14.023 -0.415 1.00 44.10 H new ATOM 95 N VAL A 6 -3.618 10.116 3.755 1.00 45.54 N ATOM 96 CA VAL A 6 -3.535 8.645 3.916 1.00 23.43 C ATOM 97 C VAL A 6 -4.006 8.196 5.317 1.00 22.34 C ATOM 98 O VAL A 6 -4.500 7.087 5.466 1.00 1.24 O ATOM 99 CB VAL A 6 -2.089 8.101 3.612 1.00 13.23 C ATOM 100 CG1 VAL A 6 -1.686 8.404 2.147 1.00 61.43 C ATOM 101 CG2 VAL A 6 -1.042 8.664 4.610 1.00 30.11 C ATOM 0 H VAL A 6 -2.712 10.571 3.643 1.00 45.54 H new ATOM 0 HA VAL A 6 -4.213 8.212 3.180 1.00 23.43 H new ATOM 0 HB VAL A 6 -2.109 7.019 3.743 1.00 13.23 H new ATOM 0 HG11 VAL A 6 -0.684 8.020 1.958 1.00 61.43 H new ATOM 0 HG12 VAL A 6 -2.392 7.925 1.469 1.00 61.43 H new ATOM 0 HG13 VAL A 6 -1.698 9.481 1.982 1.00 61.43 H new ATOM 0 HG21 VAL A 6 -0.057 8.265 4.367 1.00 30.11 H new ATOM 0 HG22 VAL A 6 -1.021 9.752 4.540 1.00 30.11 H new ATOM 0 HG23 VAL A 6 -1.312 8.371 5.625 1.00 30.11 H new ATOM 111 N GLY A 7 -3.857 9.090 6.323 1.00 22.32 N ATOM 112 CA GLY A 7 -4.423 8.882 7.666 1.00 3.44 C ATOM 113 C GLY A 7 -5.949 8.965 7.687 1.00 41.00 C ATOM 114 O GLY A 7 -6.625 8.150 8.334 1.00 31.32 O ATOM 0 H GLY A 7 -3.345 9.966 6.223 1.00 22.32 H new ATOM 0 HA2 GLY A 7 -4.112 7.906 8.039 1.00 3.44 H new ATOM 0 HA3 GLY A 7 -4.014 9.628 8.347 1.00 3.44 H new ATOM 118 N ALA A 8 -6.481 9.958 6.953 1.00 61.31 N ATOM 119 CA ALA A 8 -7.933 10.187 6.801 1.00 24.14 C ATOM 120 C ALA A 8 -8.645 8.984 6.131 1.00 31.15 C ATOM 121 O ALA A 8 -9.753 8.602 6.524 1.00 30.45 O ATOM 122 CB ALA A 8 -8.156 11.467 5.984 1.00 13.35 C ATOM 0 H ALA A 8 -5.911 10.632 6.442 1.00 61.31 H new ATOM 0 HA ALA A 8 -8.369 10.299 7.794 1.00 24.14 H new ATOM 0 HB1 ALA A 8 -9.225 11.643 5.868 1.00 13.35 H new ATOM 0 HB2 ALA A 8 -7.704 12.313 6.502 1.00 13.35 H new ATOM 0 HB3 ALA A 8 -7.697 11.356 5.001 1.00 13.35 H new ATOM 128 N ASN A 9 -7.996 8.401 5.105 1.00 33.22 N ATOM 129 CA ASN A 9 -8.531 7.234 4.366 1.00 41.25 C ATOM 130 C ASN A 9 -8.189 5.891 5.056 1.00 13.23 C ATOM 131 O ASN A 9 -8.880 4.901 4.828 1.00 60.54 O ATOM 132 CB ASN A 9 -8.029 7.243 2.901 1.00 2.31 C ATOM 133 CG ASN A 9 -8.572 8.433 2.103 1.00 22.01 C ATOM 134 OD1 ASN A 9 -9.672 8.385 1.562 1.00 23.33 O ATOM 135 ND2 ASN A 9 -7.807 9.502 2.006 1.00 12.34 N ATOM 0 H ASN A 9 -7.090 8.722 4.764 1.00 33.22 H new ATOM 0 HA ASN A 9 -9.617 7.323 4.368 1.00 41.25 H new ATOM 0 HB2 ASN A 9 -6.939 7.271 2.894 1.00 2.31 H new ATOM 0 HB3 ASN A 9 -8.327 6.315 2.412 1.00 2.31 H new ATOM 0 HD21 ASN A 9 -8.126 10.311 1.473 1.00 12.34 H new ATOM 0 HD22 ASN A 9 -6.896 9.520 2.464 1.00 12.34 H new ATOM 142 N ALA A 10 -7.147 5.865 5.915 1.00 14.00 N ATOM 143 CA ALA A 10 -6.741 4.633 6.652 1.00 73.00 C ATOM 144 C ALA A 10 -7.828 4.192 7.657 1.00 72.01 C ATOM 145 O ALA A 10 -8.023 2.997 7.889 1.00 42.24 O ATOM 146 CB ALA A 10 -5.398 4.850 7.370 1.00 24.51 C ATOM 0 H ALA A 10 -6.568 6.679 6.120 1.00 14.00 H new ATOM 0 HA ALA A 10 -6.620 3.834 5.921 1.00 73.00 H new ATOM 0 HB1 ALA A 10 -5.119 3.941 7.902 1.00 24.51 H new ATOM 0 HB2 ALA A 10 -4.629 5.093 6.637 1.00 24.51 H new ATOM 0 HB3 ALA A 10 -5.494 5.671 8.081 1.00 24.51 H new ATOM 152 N GLY A 11 -8.533 5.188 8.237 1.00 61.22 N ATOM 153 CA GLY A 11 -9.662 4.939 9.144 1.00 21.41 C ATOM 154 C GLY A 11 -10.849 4.238 8.465 1.00 60.02 C ATOM 155 O GLY A 11 -11.479 3.353 9.056 1.00 60.30 O ATOM 0 H GLY A 11 -8.334 6.177 8.088 1.00 61.22 H new ATOM 0 HA2 GLY A 11 -9.319 4.329 9.980 1.00 21.41 H new ATOM 0 HA3 GLY A 11 -10.000 5.888 9.560 1.00 21.41 H new ATOM 159 N LYS A 12 -11.157 4.634 7.208 1.00 71.44 N ATOM 160 CA LYS A 12 -12.278 4.042 6.436 1.00 1.33 C ATOM 161 C LYS A 12 -11.914 2.635 5.894 1.00 41.35 C ATOM 162 O LYS A 12 -12.793 1.774 5.746 1.00 44.13 O ATOM 163 CB LYS A 12 -12.748 5.004 5.300 1.00 33.22 C ATOM 164 CG LYS A 12 -11.983 4.942 3.954 1.00 30.11 C ATOM 165 CD LYS A 12 -12.318 6.127 3.003 1.00 13.14 C ATOM 166 CE LYS A 12 -13.825 6.471 2.938 1.00 20.25 C ATOM 167 NZ LYS A 12 -14.676 5.333 2.493 1.00 43.22 N ATOM 0 H LYS A 12 -10.646 5.360 6.706 1.00 71.44 H new ATOM 0 HA LYS A 12 -13.119 3.910 7.116 1.00 1.33 H new ATOM 0 HB2 LYS A 12 -13.800 4.801 5.100 1.00 33.22 H new ATOM 0 HB3 LYS A 12 -12.687 6.025 5.676 1.00 33.22 H new ATOM 0 HG2 LYS A 12 -10.911 4.936 4.153 1.00 30.11 H new ATOM 0 HG3 LYS A 12 -12.219 4.004 3.452 1.00 30.11 H new ATOM 0 HD2 LYS A 12 -11.768 7.009 3.330 1.00 13.14 H new ATOM 0 HD3 LYS A 12 -11.967 5.886 2.000 1.00 13.14 H new ATOM 0 HE2 LYS A 12 -14.157 6.799 3.923 1.00 20.25 H new ATOM 0 HE3 LYS A 12 -13.969 7.310 2.257 1.00 20.25 H new ATOM 0 HZ1 LYS A 12 -15.676 5.616 2.521 1.00 43.22 H new ATOM 0 HZ2 LYS A 12 -14.418 5.066 1.521 1.00 43.22 H new ATOM 0 HZ3 LYS A 12 -14.528 4.521 3.126 1.00 43.22 H new ATOM 181 N VAL A 13 -10.610 2.418 5.606 1.00 60.25 N ATOM 182 CA VAL A 13 -10.075 1.095 5.201 1.00 23.20 C ATOM 183 C VAL A 13 -10.153 0.089 6.371 1.00 25.24 C ATOM 184 O VAL A 13 -10.622 -1.046 6.203 1.00 42.13 O ATOM 185 CB VAL A 13 -8.598 1.208 4.656 1.00 60.43 C ATOM 186 CG1 VAL A 13 -7.975 -0.189 4.389 1.00 40.23 C ATOM 187 CG2 VAL A 13 -8.545 2.077 3.369 1.00 74.21 C ATOM 0 H VAL A 13 -9.901 3.150 5.647 1.00 60.25 H new ATOM 0 HA VAL A 13 -10.698 0.724 4.387 1.00 23.20 H new ATOM 0 HB VAL A 13 -8.006 1.695 5.431 1.00 60.43 H new ATOM 0 HG11 VAL A 13 -6.958 -0.069 4.015 1.00 40.23 H new ATOM 0 HG12 VAL A 13 -7.955 -0.762 5.316 1.00 40.23 H new ATOM 0 HG13 VAL A 13 -8.574 -0.719 3.648 1.00 40.23 H new ATOM 0 HG21 VAL A 13 -7.516 2.139 3.014 1.00 74.21 H new ATOM 0 HG22 VAL A 13 -9.168 1.624 2.598 1.00 74.21 H new ATOM 0 HG23 VAL A 13 -8.913 3.079 3.591 1.00 74.21 H new ATOM 197 N TRP A 14 -9.712 0.543 7.557 1.00 21.44 N ATOM 198 CA TRP A 14 -9.771 -0.260 8.798 1.00 20.31 C ATOM 199 C TRP A 14 -11.245 -0.553 9.191 1.00 2.24 C ATOM 200 O TRP A 14 -11.550 -1.626 9.715 1.00 54.01 O ATOM 201 CB TRP A 14 -9.010 0.449 9.960 1.00 42.03 C ATOM 202 CG TRP A 14 -8.620 -0.489 11.094 1.00 45.13 C ATOM 203 CD1 TRP A 14 -7.427 -1.148 11.253 1.00 73.04 C ATOM 204 CD2 TRP A 14 -9.439 -0.887 12.202 1.00 14.25 C ATOM 205 NE1 TRP A 14 -7.462 -1.912 12.392 1.00 73.44 N ATOM 206 CE2 TRP A 14 -8.687 -1.772 12.989 1.00 61.13 C ATOM 207 CE3 TRP A 14 -10.734 -0.566 12.595 1.00 55.14 C ATOM 208 CZ2 TRP A 14 -9.196 -2.348 14.151 1.00 4.25 C ATOM 209 CZ3 TRP A 14 -11.247 -1.135 13.745 1.00 43.40 C ATOM 210 CH2 TRP A 14 -10.476 -2.018 14.515 1.00 2.40 C ATOM 0 H TRP A 14 -9.307 1.470 7.686 1.00 21.44 H new ATOM 0 HA TRP A 14 -9.275 -1.212 8.611 1.00 20.31 H new ATOM 0 HB2 TRP A 14 -8.110 0.918 9.561 1.00 42.03 H new ATOM 0 HB3 TRP A 14 -9.635 1.248 10.359 1.00 42.03 H new ATOM 0 HD1 TRP A 14 -6.585 -1.076 10.581 1.00 73.04 H new ATOM 0 HE1 TRP A 14 -6.698 -2.492 12.739 1.00 73.44 H new ATOM 0 HE3 TRP A 14 -11.330 0.118 12.010 1.00 55.14 H new ATOM 0 HZ2 TRP A 14 -8.604 -3.030 14.743 1.00 4.25 H new ATOM 0 HZ3 TRP A 14 -12.254 -0.897 14.055 1.00 43.40 H new ATOM 0 HH2 TRP A 14 -10.899 -2.446 15.412 1.00 2.40 H new ATOM 221 N HIS A 15 -12.150 0.417 8.930 1.00 43.30 N ATOM 222 CA HIS A 15 -13.609 0.232 9.131 1.00 42.23 C ATOM 223 C HIS A 15 -14.174 -0.876 8.209 1.00 4.13 C ATOM 224 O HIS A 15 -15.024 -1.655 8.635 1.00 42.14 O ATOM 225 CB HIS A 15 -14.387 1.559 8.908 1.00 0.32 C ATOM 226 CG HIS A 15 -15.891 1.393 8.957 1.00 32.22 C ATOM 227 ND1 HIS A 15 -16.574 1.083 10.113 1.00 21.25 N ATOM 228 CD2 HIS A 15 -16.827 1.403 7.973 1.00 1.20 C ATOM 229 CE1 HIS A 15 -17.852 0.903 9.839 1.00 5.43 C ATOM 230 NE2 HIS A 15 -18.033 1.089 8.550 1.00 10.11 N ATOM 0 H HIS A 15 -11.896 1.340 8.578 1.00 43.30 H new ATOM 0 HA HIS A 15 -13.748 -0.079 10.166 1.00 42.23 H new ATOM 0 HB2 HIS A 15 -14.084 2.280 9.667 1.00 0.32 H new ATOM 0 HB3 HIS A 15 -14.107 1.977 7.941 1.00 0.32 H new ATOM 0 HD2 HIS A 15 -16.655 1.618 6.929 1.00 1.20 H new ATOM 0 HE1 HIS A 15 -18.620 0.646 10.553 1.00 5.43 H new ATOM 0 HE2 HIS A 15 -18.924 1.013 8.059 1.00 10.11 H new ATOM 239 N ALA A 16 -13.713 -0.921 6.948 1.00 31.20 N ATOM 240 CA ALA A 16 -14.148 -1.957 5.977 1.00 4.43 C ATOM 241 C ALA A 16 -13.716 -3.378 6.424 1.00 54.14 C ATOM 242 O ALA A 16 -14.392 -4.368 6.128 1.00 50.05 O ATOM 243 CB ALA A 16 -13.608 -1.637 4.586 1.00 42.22 C ATOM 0 H ALA A 16 -13.039 -0.255 6.570 1.00 31.20 H new ATOM 0 HA ALA A 16 -15.237 -1.947 5.941 1.00 4.43 H new ATOM 0 HB1 ALA A 16 -13.934 -2.404 3.884 1.00 42.22 H new ATOM 0 HB2 ALA A 16 -13.985 -0.666 4.264 1.00 42.22 H new ATOM 0 HB3 ALA A 16 -12.519 -1.612 4.616 1.00 42.22 H new ATOM 249 N LEU A 17 -12.568 -3.435 7.117 1.00 31.21 N ATOM 250 CA LEU A 17 -12.072 -4.643 7.812 1.00 64.14 C ATOM 251 C LEU A 17 -12.943 -4.995 9.041 1.00 4.40 C ATOM 252 O LEU A 17 -13.226 -6.167 9.291 1.00 74.34 O ATOM 253 CB LEU A 17 -10.614 -4.392 8.249 1.00 3.10 C ATOM 254 CG LEU A 17 -9.588 -4.250 7.096 1.00 23.31 C ATOM 255 CD1 LEU A 17 -8.226 -3.756 7.621 1.00 22.14 C ATOM 256 CD2 LEU A 17 -9.456 -5.586 6.336 1.00 21.40 C ATOM 0 H LEU A 17 -11.945 -2.633 7.214 1.00 31.21 H new ATOM 0 HA LEU A 17 -12.125 -5.490 7.127 1.00 64.14 H new ATOM 0 HB2 LEU A 17 -10.585 -3.485 8.852 1.00 3.10 H new ATOM 0 HB3 LEU A 17 -10.299 -5.213 8.893 1.00 3.10 H new ATOM 0 HG LEU A 17 -9.951 -3.497 6.396 1.00 23.31 H new ATOM 0 HD11 LEU A 17 -7.527 -3.666 6.790 1.00 22.14 H new ATOM 0 HD12 LEU A 17 -8.351 -2.784 8.097 1.00 22.14 H new ATOM 0 HD13 LEU A 17 -7.836 -4.469 8.348 1.00 22.14 H new ATOM 0 HD21 LEU A 17 -8.733 -5.475 5.528 1.00 21.40 H new ATOM 0 HD22 LEU A 17 -9.118 -6.363 7.022 1.00 21.40 H new ATOM 0 HD23 LEU A 17 -10.424 -5.865 5.920 1.00 21.40 H new ATOM 268 N ASN A 18 -13.334 -3.958 9.812 1.00 2.24 N ATOM 269 CA ASN A 18 -14.280 -4.077 10.956 1.00 51.43 C ATOM 270 C ASN A 18 -15.663 -4.628 10.496 1.00 64.13 C ATOM 271 O ASN A 18 -16.387 -5.259 11.277 1.00 5.21 O ATOM 272 CB ASN A 18 -14.425 -2.682 11.635 1.00 72.15 C ATOM 273 CG ASN A 18 -15.398 -2.619 12.820 1.00 54.15 C ATOM 274 OD1 ASN A 18 -16.084 -1.621 13.012 1.00 4.41 O ATOM 275 ND2 ASN A 18 -15.439 -3.644 13.645 1.00 33.14 N ATOM 0 H ASN A 18 -13.003 -3.005 9.662 1.00 2.24 H new ATOM 0 HA ASN A 18 -13.883 -4.791 11.677 1.00 51.43 H new ATOM 0 HB2 ASN A 18 -13.441 -2.361 11.978 1.00 72.15 H new ATOM 0 HB3 ASN A 18 -14.750 -1.964 10.882 1.00 72.15 H new ATOM 0 HD21 ASN A 18 -16.049 -3.617 14.462 1.00 33.14 H new ATOM 0 HD22 ASN A 18 -14.860 -4.465 13.467 1.00 33.14 H new ATOM 282 N GLU A 19 -16.007 -4.384 9.216 1.00 31.21 N ATOM 283 CA GLU A 19 -17.201 -4.968 8.574 1.00 21.04 C ATOM 284 C GLU A 19 -16.928 -6.447 8.182 1.00 3.21 C ATOM 285 O GLU A 19 -17.707 -7.343 8.530 1.00 23.30 O ATOM 286 CB GLU A 19 -17.593 -4.133 7.322 1.00 21.02 C ATOM 287 CG GLU A 19 -17.906 -2.645 7.618 1.00 42.41 C ATOM 288 CD GLU A 19 -18.214 -1.806 6.360 1.00 21.22 C ATOM 289 OE1 GLU A 19 -17.507 -1.966 5.341 1.00 63.01 O ATOM 290 OE2 GLU A 19 -19.146 -0.966 6.394 1.00 64.40 O ATOM 0 H GLU A 19 -15.466 -3.778 8.599 1.00 31.21 H new ATOM 0 HA GLU A 19 -18.031 -4.946 9.280 1.00 21.04 H new ATOM 0 HB2 GLU A 19 -16.780 -4.184 6.597 1.00 21.02 H new ATOM 0 HB3 GLU A 19 -18.466 -4.589 6.855 1.00 21.02 H new ATOM 0 HG2 GLU A 19 -18.758 -2.591 8.295 1.00 42.41 H new ATOM 0 HG3 GLU A 19 -17.057 -2.202 8.138 1.00 42.41 H new ATOM 297 N ALA A 20 -15.785 -6.685 7.490 1.00 44.55 N ATOM 298 CA ALA A 20 -15.385 -8.030 7.000 1.00 55.44 C ATOM 299 C ALA A 20 -13.898 -8.045 6.544 1.00 73.02 C ATOM 300 O ALA A 20 -13.547 -7.449 5.517 1.00 22.54 O ATOM 301 CB ALA A 20 -16.311 -8.496 5.857 1.00 64.13 C ATOM 0 H ALA A 20 -15.116 -5.952 7.256 1.00 44.55 H new ATOM 0 HA ALA A 20 -15.487 -8.729 7.830 1.00 55.44 H new ATOM 0 HB1 ALA A 20 -15.999 -9.483 5.515 1.00 64.13 H new ATOM 0 HB2 ALA A 20 -17.338 -8.546 6.218 1.00 64.13 H new ATOM 0 HB3 ALA A 20 -16.251 -7.789 5.029 1.00 64.13 H new ATOM 307 N ASP A 21 -13.034 -8.707 7.341 1.00 23.04 N ATOM 308 CA ASP A 21 -11.575 -8.831 7.071 1.00 44.22 C ATOM 309 C ASP A 21 -11.209 -10.136 6.309 1.00 61.40 C ATOM 310 O ASP A 21 -12.086 -10.943 5.968 1.00 64.43 O ATOM 311 CB ASP A 21 -10.795 -8.727 8.404 1.00 14.42 C ATOM 312 CG ASP A 21 -11.037 -9.896 9.376 1.00 62.43 C ATOM 313 OD1 ASP A 21 -12.199 -10.120 9.782 1.00 71.43 O ATOM 314 OD2 ASP A 21 -10.067 -10.600 9.728 1.00 45.11 O ATOM 0 H ASP A 21 -13.325 -9.176 8.198 1.00 23.04 H new ATOM 0 HA ASP A 21 -11.288 -8.011 6.413 1.00 44.22 H new ATOM 0 HB2 ASP A 21 -9.729 -8.669 8.183 1.00 14.42 H new ATOM 0 HB3 ASP A 21 -11.069 -7.796 8.900 1.00 14.42 H new ATOM 319 N GLY A 22 -9.893 -10.325 6.053 1.00 31.05 N ATOM 320 CA GLY A 22 -9.406 -11.411 5.181 1.00 44.32 C ATOM 321 C GLY A 22 -9.715 -11.141 3.711 1.00 2.31 C ATOM 322 O GLY A 22 -9.981 -12.061 2.932 1.00 32.12 O ATOM 0 H GLY A 22 -9.153 -9.738 6.439 1.00 31.05 H new ATOM 0 HA2 GLY A 22 -8.330 -11.526 5.311 1.00 44.32 H new ATOM 0 HA3 GLY A 22 -9.866 -12.352 5.482 1.00 44.32 H new ATOM 326 N ILE A 23 -9.684 -9.849 3.347 1.00 31.02 N ATOM 327 CA ILE A 23 -10.153 -9.348 2.042 1.00 2.32 C ATOM 328 C ILE A 23 -8.970 -8.800 1.198 1.00 73.33 C ATOM 329 O ILE A 23 -7.996 -8.256 1.743 1.00 65.23 O ATOM 330 CB ILE A 23 -11.274 -8.247 2.268 1.00 51.15 C ATOM 331 CG1 ILE A 23 -11.896 -7.762 0.916 1.00 33.54 C ATOM 332 CG2 ILE A 23 -10.744 -7.057 3.104 1.00 62.41 C ATOM 333 CD1 ILE A 23 -13.061 -6.788 1.049 1.00 35.22 C ATOM 0 H ILE A 23 -9.328 -9.113 3.957 1.00 31.02 H new ATOM 0 HA ILE A 23 -10.589 -10.172 1.477 1.00 2.32 H new ATOM 0 HB ILE A 23 -12.073 -8.719 2.840 1.00 51.15 H new ATOM 0 HG12 ILE A 23 -11.113 -7.288 0.324 1.00 33.54 H new ATOM 0 HG13 ILE A 23 -12.235 -8.634 0.357 1.00 33.54 H new ATOM 0 HG21 ILE A 23 -11.539 -6.324 3.238 1.00 62.41 H new ATOM 0 HG22 ILE A 23 -10.413 -7.416 4.079 1.00 62.41 H new ATOM 0 HG23 ILE A 23 -9.906 -6.592 2.585 1.00 62.41 H new ATOM 0 HD11 ILE A 23 -13.420 -6.513 0.057 1.00 35.22 H new ATOM 0 HD12 ILE A 23 -13.868 -7.260 1.609 1.00 35.22 H new ATOM 0 HD13 ILE A 23 -12.729 -5.893 1.576 1.00 35.22 H new ATOM 345 N SER A 24 -9.051 -8.992 -0.134 1.00 23.32 N ATOM 346 CA SER A 24 -8.057 -8.467 -1.099 1.00 52.21 C ATOM 347 C SER A 24 -8.294 -6.969 -1.374 1.00 64.45 C ATOM 348 O SER A 24 -9.430 -6.489 -1.278 1.00 44.03 O ATOM 349 CB SER A 24 -8.131 -9.256 -2.421 1.00 60.23 C ATOM 350 OG SER A 24 -7.934 -10.646 -2.218 1.00 53.20 O ATOM 0 H SER A 24 -9.808 -9.516 -0.574 1.00 23.32 H new ATOM 0 HA SER A 24 -7.066 -8.587 -0.662 1.00 52.21 H new ATOM 0 HB2 SER A 24 -9.102 -9.091 -2.889 1.00 60.23 H new ATOM 0 HB3 SER A 24 -7.377 -8.879 -3.112 1.00 60.23 H new ATOM 0 HG SER A 24 -7.990 -11.113 -3.078 1.00 53.20 H new ATOM 356 N ILE A 25 -7.224 -6.258 -1.762 1.00 12.32 N ATOM 357 CA ILE A 25 -7.238 -4.785 -1.961 1.00 51.43 C ATOM 358 C ILE A 25 -8.273 -4.273 -3.035 1.00 35.50 C ATOM 359 O ILE A 25 -8.929 -3.270 -2.773 1.00 3.22 O ATOM 360 CB ILE A 25 -5.803 -4.235 -2.307 1.00 65.34 C ATOM 361 CG1 ILE A 25 -4.751 -4.668 -1.228 1.00 73.35 C ATOM 362 CG2 ILE A 25 -5.813 -2.696 -2.502 1.00 22.04 C ATOM 363 CD1 ILE A 25 -5.035 -4.189 0.178 1.00 11.21 C ATOM 0 H ILE A 25 -6.316 -6.683 -1.950 1.00 12.32 H new ATOM 0 HA ILE A 25 -7.569 -4.388 -1.001 1.00 51.43 H new ATOM 0 HB ILE A 25 -5.504 -4.680 -3.256 1.00 65.34 H new ATOM 0 HG12 ILE A 25 -4.691 -5.756 -1.219 1.00 73.35 H new ATOM 0 HG13 ILE A 25 -3.771 -4.297 -1.530 1.00 73.35 H new ATOM 0 HG21 ILE A 25 -4.806 -2.353 -2.739 1.00 22.04 H new ATOM 0 HG22 ILE A 25 -6.487 -2.437 -3.319 1.00 22.04 H new ATOM 0 HG23 ILE A 25 -6.153 -2.215 -1.585 1.00 22.04 H new ATOM 0 HD11 ILE A 25 -4.250 -4.541 0.848 1.00 11.21 H new ATOM 0 HD12 ILE A 25 -5.063 -3.099 0.193 1.00 11.21 H new ATOM 0 HD13 ILE A 25 -5.997 -4.581 0.509 1.00 11.21 H new ATOM 375 N PRO A 26 -8.428 -4.903 -4.263 1.00 61.54 N ATOM 376 CA PRO A 26 -9.430 -4.433 -5.275 1.00 1.34 C ATOM 377 C PRO A 26 -10.899 -4.537 -4.776 1.00 72.32 C ATOM 378 O PRO A 26 -11.752 -3.712 -5.122 1.00 42.41 O ATOM 379 CB PRO A 26 -9.187 -5.358 -6.504 1.00 73.34 C ATOM 380 CG PRO A 26 -7.839 -5.975 -6.276 1.00 33.31 C ATOM 381 CD PRO A 26 -7.658 -6.061 -4.783 1.00 11.41 C ATOM 0 HA PRO A 26 -9.299 -3.374 -5.499 1.00 1.34 H new ATOM 0 HB2 PRO A 26 -9.961 -6.122 -6.580 1.00 73.34 H new ATOM 0 HB3 PRO A 26 -9.207 -4.790 -7.434 1.00 73.34 H new ATOM 0 HG2 PRO A 26 -7.782 -6.964 -6.732 1.00 33.31 H new ATOM 0 HG3 PRO A 26 -7.053 -5.370 -6.728 1.00 33.31 H new ATOM 0 HD2 PRO A 26 -8.038 -7.003 -4.388 1.00 11.41 H new ATOM 0 HD3 PRO A 26 -6.606 -5.999 -4.504 1.00 11.41 H new ATOM 389 N GLU A 27 -11.155 -5.557 -3.944 1.00 4.44 N ATOM 390 CA GLU A 27 -12.487 -5.824 -3.348 1.00 12.12 C ATOM 391 C GLU A 27 -12.766 -4.819 -2.224 1.00 52.43 C ATOM 392 O GLU A 27 -13.888 -4.349 -2.016 1.00 62.44 O ATOM 393 CB GLU A 27 -12.520 -7.271 -2.781 1.00 13.11 C ATOM 394 CG GLU A 27 -12.174 -8.370 -3.808 1.00 72.04 C ATOM 395 CD GLU A 27 -12.983 -8.247 -5.116 1.00 3.15 C ATOM 396 OE1 GLU A 27 -14.218 -8.462 -5.094 1.00 40.50 O ATOM 397 OE2 GLU A 27 -12.398 -7.902 -6.162 1.00 22.55 O ATOM 0 H GLU A 27 -10.443 -6.229 -3.659 1.00 4.44 H new ATOM 0 HA GLU A 27 -13.253 -5.719 -4.116 1.00 12.12 H new ATOM 0 HB2 GLU A 27 -11.820 -7.337 -1.948 1.00 13.11 H new ATOM 0 HB3 GLU A 27 -13.514 -7.467 -2.379 1.00 13.11 H new ATOM 0 HG2 GLU A 27 -11.110 -8.322 -4.039 1.00 72.04 H new ATOM 0 HG3 GLU A 27 -12.360 -9.347 -3.363 1.00 72.04 H new ATOM 404 N LEU A 28 -11.685 -4.531 -1.516 1.00 72.10 N ATOM 405 CA LEU A 28 -11.624 -3.577 -0.405 1.00 3.32 C ATOM 406 C LEU A 28 -11.757 -2.112 -0.900 1.00 65.50 C ATOM 407 O LEU A 28 -12.318 -1.265 -0.208 1.00 21.52 O ATOM 408 CB LEU A 28 -10.275 -3.818 0.288 1.00 31.14 C ATOM 409 CG LEU A 28 -9.905 -2.903 1.474 1.00 64.00 C ATOM 410 CD1 LEU A 28 -10.831 -3.113 2.694 1.00 52.41 C ATOM 411 CD2 LEU A 28 -8.426 -3.103 1.829 1.00 53.12 C ATOM 0 H LEU A 28 -10.784 -4.971 -1.703 1.00 72.10 H new ATOM 0 HA LEU A 28 -12.454 -3.727 0.286 1.00 3.32 H new ATOM 0 HB2 LEU A 28 -10.259 -4.849 0.642 1.00 31.14 H new ATOM 0 HB3 LEU A 28 -9.491 -3.727 -0.463 1.00 31.14 H new ATOM 0 HG LEU A 28 -10.056 -1.867 1.170 1.00 64.00 H new ATOM 0 HD11 LEU A 28 -10.528 -2.445 3.500 1.00 52.41 H new ATOM 0 HD12 LEU A 28 -11.861 -2.895 2.411 1.00 52.41 H new ATOM 0 HD13 LEU A 28 -10.758 -4.147 3.032 1.00 52.41 H new ATOM 0 HD21 LEU A 28 -8.162 -2.457 2.667 1.00 53.12 H new ATOM 0 HD22 LEU A 28 -8.256 -4.144 2.105 1.00 53.12 H new ATOM 0 HD23 LEU A 28 -7.808 -2.850 0.968 1.00 53.12 H new ATOM 423 N ALA A 29 -11.228 -1.844 -2.105 1.00 23.34 N ATOM 424 CA ALA A 29 -11.338 -0.534 -2.787 1.00 72.14 C ATOM 425 C ALA A 29 -12.817 -0.168 -3.059 1.00 14.33 C ATOM 426 O ALA A 29 -13.221 0.995 -2.939 1.00 21.14 O ATOM 427 CB ALA A 29 -10.525 -0.566 -4.095 1.00 74.00 C ATOM 0 H ALA A 29 -10.705 -2.535 -2.643 1.00 23.34 H new ATOM 0 HA ALA A 29 -10.930 0.238 -2.135 1.00 72.14 H new ATOM 0 HB1 ALA A 29 -10.606 0.398 -4.597 1.00 74.00 H new ATOM 0 HB2 ALA A 29 -9.479 -0.770 -3.868 1.00 74.00 H new ATOM 0 HB3 ALA A 29 -10.915 -1.348 -4.746 1.00 74.00 H new ATOM 433 N ARG A 30 -13.607 -1.204 -3.397 1.00 21.12 N ATOM 434 CA ARG A 30 -15.073 -1.106 -3.584 1.00 3.11 C ATOM 435 C ARG A 30 -15.781 -0.736 -2.257 1.00 75.01 C ATOM 436 O ARG A 30 -16.745 0.037 -2.247 1.00 61.31 O ATOM 437 CB ARG A 30 -15.603 -2.464 -4.108 1.00 72.45 C ATOM 438 CG ARG A 30 -15.071 -2.867 -5.509 1.00 41.53 C ATOM 439 CD ARG A 30 -15.865 -2.215 -6.659 1.00 35.21 C ATOM 440 NE ARG A 30 -17.248 -2.743 -6.703 1.00 61.24 N ATOM 441 CZ ARG A 30 -18.350 -2.053 -6.920 1.00 15.14 C ATOM 442 NH1 ARG A 30 -18.333 -0.774 -7.108 1.00 51.11 N ATOM 443 NH2 ARG A 30 -19.486 -2.671 -6.935 1.00 1.34 N ATOM 0 H ARG A 30 -13.244 -2.145 -3.550 1.00 21.12 H new ATOM 0 HA ARG A 30 -15.286 -0.318 -4.306 1.00 3.11 H new ATOM 0 HB2 ARG A 30 -15.336 -3.243 -3.394 1.00 72.45 H new ATOM 0 HB3 ARG A 30 -16.692 -2.425 -4.145 1.00 72.45 H new ATOM 0 HG2 ARG A 30 -14.022 -2.582 -5.590 1.00 41.53 H new ATOM 0 HG3 ARG A 30 -15.116 -3.951 -5.612 1.00 41.53 H new ATOM 0 HD2 ARG A 30 -15.887 -1.133 -6.525 1.00 35.21 H new ATOM 0 HD3 ARG A 30 -15.366 -2.409 -7.608 1.00 35.21 H new ATOM 0 HE ARG A 30 -17.359 -3.745 -6.549 1.00 61.24 H new ATOM 0 HH11 ARG A 30 -17.448 -0.268 -7.091 1.00 51.11 H new ATOM 0 HH12 ARG A 30 -19.205 -0.271 -7.273 1.00 51.11 H new ATOM 0 HH21 ARG A 30 -19.521 -3.679 -6.780 1.00 1.34 H new ATOM 0 HH22 ARG A 30 -20.347 -2.151 -7.102 1.00 1.34 H new ATOM 457 N LYS A 31 -15.289 -1.321 -1.145 1.00 64.02 N ATOM 458 CA LYS A 31 -15.803 -1.055 0.219 1.00 13.23 C ATOM 459 C LYS A 31 -15.521 0.400 0.668 1.00 64.22 C ATOM 460 O LYS A 31 -16.390 1.066 1.242 1.00 3.54 O ATOM 461 CB LYS A 31 -15.148 -2.043 1.230 1.00 54.21 C ATOM 462 CG LYS A 31 -15.396 -3.547 0.954 1.00 24.41 C ATOM 463 CD LYS A 31 -16.882 -3.956 1.072 1.00 13.43 C ATOM 464 CE LYS A 31 -17.480 -3.643 2.457 1.00 73.05 C ATOM 465 NZ LYS A 31 -16.749 -4.312 3.573 1.00 32.11 N ATOM 0 H LYS A 31 -14.522 -1.993 -1.166 1.00 64.02 H new ATOM 0 HA LYS A 31 -16.883 -1.198 0.198 1.00 13.23 H new ATOM 0 HB2 LYS A 31 -14.072 -1.866 1.238 1.00 54.21 H new ATOM 0 HB3 LYS A 31 -15.517 -1.810 2.229 1.00 54.21 H new ATOM 0 HG2 LYS A 31 -15.039 -3.789 -0.047 1.00 24.41 H new ATOM 0 HG3 LYS A 31 -14.807 -4.139 1.654 1.00 24.41 H new ATOM 0 HD2 LYS A 31 -17.459 -3.437 0.307 1.00 13.43 H new ATOM 0 HD3 LYS A 31 -16.977 -5.024 0.873 1.00 13.43 H new ATOM 0 HE2 LYS A 31 -17.467 -2.565 2.617 1.00 73.05 H new ATOM 0 HE3 LYS A 31 -18.524 -3.956 2.475 1.00 73.05 H new ATOM 0 HZ1 LYS A 31 -17.196 -4.065 4.479 1.00 32.11 H new ATOM 0 HZ2 LYS A 31 -16.782 -5.343 3.441 1.00 32.11 H new ATOM 0 HZ3 LYS A 31 -15.758 -3.995 3.578 1.00 32.11 H new ATOM 479 N VAL A 32 -14.288 0.874 0.396 1.00 53.04 N ATOM 480 CA VAL A 32 -13.778 2.168 0.922 1.00 65.43 C ATOM 481 C VAL A 32 -13.897 3.332 -0.093 1.00 73.21 C ATOM 482 O VAL A 32 -13.351 4.418 0.143 1.00 2.32 O ATOM 483 CB VAL A 32 -12.289 2.011 1.406 1.00 45.33 C ATOM 484 CG1 VAL A 32 -12.148 0.801 2.353 1.00 60.25 C ATOM 485 CG2 VAL A 32 -11.296 1.905 0.228 1.00 24.25 C ATOM 0 H VAL A 32 -13.617 0.378 -0.191 1.00 53.04 H new ATOM 0 HA VAL A 32 -14.413 2.432 1.768 1.00 65.43 H new ATOM 0 HB VAL A 32 -12.034 2.917 1.955 1.00 45.33 H new ATOM 0 HG11 VAL A 32 -11.111 0.711 2.676 1.00 60.25 H new ATOM 0 HG12 VAL A 32 -12.788 0.944 3.224 1.00 60.25 H new ATOM 0 HG13 VAL A 32 -12.445 -0.107 1.829 1.00 60.25 H new ATOM 0 HG21 VAL A 32 -10.283 1.798 0.615 1.00 24.25 H new ATOM 0 HG22 VAL A 32 -11.545 1.036 -0.381 1.00 24.25 H new ATOM 0 HG23 VAL A 32 -11.358 2.806 -0.383 1.00 24.25 H new ATOM 495 N ASN A 33 -14.619 3.089 -1.211 1.00 43.41 N ATOM 496 CA ASN A 33 -14.952 4.116 -2.247 1.00 40.51 C ATOM 497 C ASN A 33 -13.703 4.635 -3.032 1.00 33.32 C ATOM 498 O ASN A 33 -13.808 5.597 -3.802 1.00 34.33 O ATOM 499 CB ASN A 33 -15.742 5.320 -1.625 1.00 11.04 C ATOM 500 CG ASN A 33 -16.940 4.900 -0.760 1.00 42.42 C ATOM 501 OD1 ASN A 33 -16.828 4.780 0.460 1.00 44.53 O ATOM 502 ND2 ASN A 33 -18.085 4.665 -1.373 1.00 64.41 N ATOM 0 H ASN A 33 -14.995 2.166 -1.429 1.00 43.41 H new ATOM 0 HA ASN A 33 -15.590 3.607 -2.970 1.00 40.51 H new ATOM 0 HB2 ASN A 33 -15.059 5.915 -1.018 1.00 11.04 H new ATOM 0 HB3 ASN A 33 -16.096 5.964 -2.430 1.00 11.04 H new ATOM 0 HD21 ASN A 33 -18.902 4.377 -0.835 1.00 64.41 H new ATOM 0 HD22 ASN A 33 -18.153 4.771 -2.385 1.00 64.41 H new ATOM 509 N LEU A 34 -12.535 3.976 -2.865 1.00 0.31 N ATOM 510 CA LEU A 34 -11.255 4.411 -3.491 1.00 53.34 C ATOM 511 C LEU A 34 -10.831 3.458 -4.636 1.00 55.04 C ATOM 512 O LEU A 34 -11.512 2.474 -4.928 1.00 42.01 O ATOM 513 CB LEU A 34 -10.128 4.471 -2.416 1.00 1.53 C ATOM 514 CG LEU A 34 -10.359 5.427 -1.199 1.00 74.22 C ATOM 515 CD1 LEU A 34 -9.220 5.288 -0.161 1.00 11.24 C ATOM 516 CD2 LEU A 34 -10.531 6.895 -1.658 1.00 24.11 C ATOM 0 H LEU A 34 -12.447 3.133 -2.298 1.00 0.31 H new ATOM 0 HA LEU A 34 -11.412 5.403 -3.914 1.00 53.34 H new ATOM 0 HB2 LEU A 34 -9.973 3.463 -2.031 1.00 1.53 H new ATOM 0 HB3 LEU A 34 -9.203 4.769 -2.910 1.00 1.53 H new ATOM 0 HG LEU A 34 -11.288 5.129 -0.714 1.00 74.22 H new ATOM 0 HD11 LEU A 34 -9.405 5.963 0.675 1.00 11.24 H new ATOM 0 HD12 LEU A 34 -9.183 4.261 0.203 1.00 11.24 H new ATOM 0 HD13 LEU A 34 -8.269 5.541 -0.629 1.00 11.24 H new ATOM 0 HD21 LEU A 34 -10.690 7.532 -0.788 1.00 24.11 H new ATOM 0 HD22 LEU A 34 -9.634 7.219 -2.186 1.00 24.11 H new ATOM 0 HD23 LEU A 34 -11.391 6.970 -2.324 1.00 24.11 H new ATOM 528 N SER A 35 -9.704 3.785 -5.297 1.00 11.23 N ATOM 529 CA SER A 35 -9.025 2.868 -6.251 1.00 53.12 C ATOM 530 C SER A 35 -8.011 1.963 -5.521 1.00 73.34 C ATOM 531 O SER A 35 -7.628 2.252 -4.385 1.00 15.13 O ATOM 532 CB SER A 35 -8.299 3.672 -7.352 1.00 71.21 C ATOM 533 OG SER A 35 -7.604 2.822 -8.256 1.00 21.14 O ATOM 0 H SER A 35 -9.236 4.685 -5.190 1.00 11.23 H new ATOM 0 HA SER A 35 -9.790 2.241 -6.709 1.00 53.12 H new ATOM 0 HB2 SER A 35 -9.024 4.272 -7.902 1.00 71.21 H new ATOM 0 HB3 SER A 35 -7.595 4.366 -6.891 1.00 71.21 H new ATOM 0 HG SER A 35 -7.159 3.365 -8.939 1.00 21.14 H new ATOM 539 N VAL A 36 -7.559 0.900 -6.218 1.00 34.12 N ATOM 540 CA VAL A 36 -6.611 -0.119 -5.678 1.00 0.13 C ATOM 541 C VAL A 36 -5.336 0.526 -5.075 1.00 14.40 C ATOM 542 O VAL A 36 -4.928 0.184 -3.962 1.00 35.40 O ATOM 543 CB VAL A 36 -6.195 -1.152 -6.797 1.00 51.23 C ATOM 544 CG1 VAL A 36 -5.217 -2.237 -6.256 1.00 34.15 C ATOM 545 CG2 VAL A 36 -7.445 -1.802 -7.438 1.00 2.32 C ATOM 0 H VAL A 36 -7.839 0.716 -7.181 1.00 34.12 H new ATOM 0 HA VAL A 36 -7.139 -0.640 -4.879 1.00 0.13 H new ATOM 0 HB VAL A 36 -5.662 -0.596 -7.569 1.00 51.23 H new ATOM 0 HG11 VAL A 36 -4.958 -2.926 -7.060 1.00 34.15 H new ATOM 0 HG12 VAL A 36 -4.312 -1.758 -5.883 1.00 34.15 H new ATOM 0 HG13 VAL A 36 -5.696 -2.788 -5.446 1.00 34.15 H new ATOM 0 HG21 VAL A 36 -7.134 -2.510 -8.206 1.00 2.32 H new ATOM 0 HG22 VAL A 36 -8.016 -2.326 -6.672 1.00 2.32 H new ATOM 0 HG23 VAL A 36 -8.067 -1.028 -7.888 1.00 2.32 H new ATOM 555 N GLU A 37 -4.736 1.467 -5.826 1.00 30.43 N ATOM 556 CA GLU A 37 -3.526 2.206 -5.389 1.00 21.23 C ATOM 557 C GLU A 37 -3.779 3.028 -4.096 1.00 23.01 C ATOM 558 O GLU A 37 -3.053 2.887 -3.112 1.00 71.10 O ATOM 559 CB GLU A 37 -3.032 3.149 -6.513 1.00 31.31 C ATOM 560 CG GLU A 37 -2.581 2.462 -7.812 1.00 3.15 C ATOM 561 CD GLU A 37 -2.035 3.471 -8.855 1.00 70.34 C ATOM 562 OE1 GLU A 37 -2.846 4.187 -9.480 1.00 1.31 O ATOM 563 OE2 GLU A 37 -0.800 3.572 -9.039 1.00 4.51 O ATOM 0 H GLU A 37 -5.071 1.740 -6.750 1.00 30.43 H new ATOM 0 HA GLU A 37 -2.760 1.462 -5.171 1.00 21.23 H new ATOM 0 HB2 GLU A 37 -3.833 3.848 -6.753 1.00 31.31 H new ATOM 0 HB3 GLU A 37 -2.200 3.738 -6.128 1.00 31.31 H new ATOM 0 HG2 GLU A 37 -1.809 1.727 -7.582 1.00 3.15 H new ATOM 0 HG3 GLU A 37 -3.421 1.917 -8.243 1.00 3.15 H new ATOM 570 N SER A 38 -4.838 3.868 -4.122 1.00 34.42 N ATOM 571 CA SER A 38 -5.212 4.765 -2.990 1.00 50.34 C ATOM 572 C SER A 38 -5.599 3.977 -1.710 1.00 72.52 C ATOM 573 O SER A 38 -5.432 4.477 -0.591 1.00 2.40 O ATOM 574 CB SER A 38 -6.386 5.688 -3.411 1.00 71.30 C ATOM 575 OG SER A 38 -6.028 6.529 -4.501 1.00 15.13 O ATOM 0 H SER A 38 -5.461 3.948 -4.925 1.00 34.42 H new ATOM 0 HA SER A 38 -4.333 5.363 -2.751 1.00 50.34 H new ATOM 0 HB2 SER A 38 -7.246 5.079 -3.688 1.00 71.30 H new ATOM 0 HB3 SER A 38 -6.690 6.301 -2.562 1.00 71.30 H new ATOM 0 HG SER A 38 -6.791 7.096 -4.741 1.00 15.13 H new ATOM 581 N THR A 39 -6.120 2.752 -1.904 1.00 25.53 N ATOM 582 CA THR A 39 -6.557 1.861 -0.806 1.00 62.22 C ATOM 583 C THR A 39 -5.354 1.128 -0.158 1.00 72.11 C ATOM 584 O THR A 39 -5.154 1.219 1.053 1.00 30.35 O ATOM 585 CB THR A 39 -7.600 0.814 -1.331 1.00 32.23 C ATOM 586 OG1 THR A 39 -8.725 1.500 -1.899 1.00 52.00 O ATOM 587 CG2 THR A 39 -8.102 -0.129 -0.226 1.00 53.23 C ATOM 0 H THR A 39 -6.252 2.347 -2.831 1.00 25.53 H new ATOM 0 HA THR A 39 -7.027 2.483 -0.044 1.00 62.22 H new ATOM 0 HB THR A 39 -7.092 0.207 -2.081 1.00 32.23 H new ATOM 0 HG1 THR A 39 -8.490 1.831 -2.791 1.00 52.00 H new ATOM 0 HG21 THR A 39 -8.821 -0.832 -0.647 1.00 53.23 H new ATOM 0 HG22 THR A 39 -7.260 -0.679 0.193 1.00 53.23 H new ATOM 0 HG23 THR A 39 -8.582 0.454 0.560 1.00 53.23 H new ATOM 595 N ALA A 40 -4.543 0.441 -0.997 1.00 5.31 N ATOM 596 CA ALA A 40 -3.351 -0.349 -0.553 1.00 24.44 C ATOM 597 C ALA A 40 -2.299 0.529 0.167 1.00 31.05 C ATOM 598 O ALA A 40 -1.562 0.064 1.044 1.00 3.32 O ATOM 599 CB ALA A 40 -2.715 -1.059 -1.758 1.00 43.34 C ATOM 0 H ALA A 40 -4.691 0.414 -2.006 1.00 5.31 H new ATOM 0 HA ALA A 40 -3.699 -1.089 0.167 1.00 24.44 H new ATOM 0 HB1 ALA A 40 -1.849 -1.632 -1.427 1.00 43.34 H new ATOM 0 HB2 ALA A 40 -3.444 -1.732 -2.210 1.00 43.34 H new ATOM 0 HB3 ALA A 40 -2.401 -0.318 -2.493 1.00 43.34 H new ATOM 605 N LEU A 41 -2.248 1.796 -0.251 1.00 32.12 N ATOM 606 CA LEU A 41 -1.416 2.851 0.362 1.00 30.53 C ATOM 607 C LEU A 41 -1.832 3.070 1.847 1.00 3.13 C ATOM 608 O LEU A 41 -1.000 3.039 2.763 1.00 54.23 O ATOM 609 CB LEU A 41 -1.625 4.158 -0.457 1.00 1.10 C ATOM 610 CG LEU A 41 -0.440 5.168 -0.576 1.00 51.12 C ATOM 611 CD1 LEU A 41 -0.943 6.448 -1.257 1.00 32.11 C ATOM 612 CD2 LEU A 41 0.249 5.480 0.778 1.00 73.32 C ATOM 0 H LEU A 41 -2.795 2.132 -1.044 1.00 32.12 H new ATOM 0 HA LEU A 41 -0.365 2.561 0.349 1.00 30.53 H new ATOM 0 HB2 LEU A 41 -1.917 3.871 -1.467 1.00 1.10 H new ATOM 0 HB3 LEU A 41 -2.470 4.690 -0.020 1.00 1.10 H new ATOM 0 HG LEU A 41 0.334 4.700 -1.185 1.00 51.12 H new ATOM 0 HD11 LEU A 41 -0.122 7.160 -1.345 1.00 32.11 H new ATOM 0 HD12 LEU A 41 -1.322 6.207 -2.250 1.00 32.11 H new ATOM 0 HD13 LEU A 41 -1.742 6.887 -0.660 1.00 32.11 H new ATOM 0 HD21 LEU A 41 1.062 6.188 0.618 1.00 73.32 H new ATOM 0 HD22 LEU A 41 -0.478 5.912 1.465 1.00 73.32 H new ATOM 0 HD23 LEU A 41 0.648 4.559 1.204 1.00 73.32 H new ATOM 624 N ALA A 42 -3.146 3.299 2.040 1.00 73.41 N ATOM 625 CA ALA A 42 -3.751 3.533 3.368 1.00 3.34 C ATOM 626 C ALA A 42 -3.644 2.276 4.267 1.00 52.02 C ATOM 627 O ALA A 42 -3.627 2.383 5.497 1.00 2.20 O ATOM 628 CB ALA A 42 -5.212 3.972 3.196 1.00 11.42 C ATOM 0 H ALA A 42 -3.821 3.327 1.276 1.00 73.41 H new ATOM 0 HA ALA A 42 -3.200 4.329 3.869 1.00 3.34 H new ATOM 0 HB1 ALA A 42 -5.658 4.144 4.176 1.00 11.42 H new ATOM 0 HB2 ALA A 42 -5.249 4.892 2.613 1.00 11.42 H new ATOM 0 HB3 ALA A 42 -5.768 3.191 2.677 1.00 11.42 H new ATOM 634 N VAL A 43 -3.579 1.091 3.624 1.00 53.12 N ATOM 635 CA VAL A 43 -3.303 -0.196 4.316 1.00 35.13 C ATOM 636 C VAL A 43 -1.865 -0.215 4.895 1.00 31.13 C ATOM 637 O VAL A 43 -1.641 -0.717 5.998 1.00 61.44 O ATOM 638 CB VAL A 43 -3.509 -1.429 3.355 1.00 15.42 C ATOM 639 CG1 VAL A 43 -3.148 -2.773 4.041 1.00 72.24 C ATOM 640 CG2 VAL A 43 -4.951 -1.472 2.797 1.00 62.31 C ATOM 0 H VAL A 43 -3.715 0.994 2.618 1.00 53.12 H new ATOM 0 HA VAL A 43 -4.017 -0.279 5.135 1.00 35.13 H new ATOM 0 HB VAL A 43 -2.821 -1.294 2.520 1.00 15.42 H new ATOM 0 HG11 VAL A 43 -3.306 -3.593 3.340 1.00 72.24 H new ATOM 0 HG12 VAL A 43 -2.103 -2.755 4.349 1.00 72.24 H new ATOM 0 HG13 VAL A 43 -3.782 -2.917 4.916 1.00 72.24 H new ATOM 0 HG21 VAL A 43 -5.061 -2.333 2.138 1.00 62.31 H new ATOM 0 HG22 VAL A 43 -5.658 -1.554 3.622 1.00 62.31 H new ATOM 0 HG23 VAL A 43 -5.152 -0.559 2.237 1.00 62.31 H new ATOM 650 N GLY A 44 -0.902 0.328 4.122 1.00 32.23 N ATOM 651 CA GLY A 44 0.481 0.510 4.595 1.00 64.11 C ATOM 652 C GLY A 44 0.592 1.495 5.772 1.00 61.31 C ATOM 653 O GLY A 44 1.446 1.337 6.657 1.00 11.11 O ATOM 0 H GLY A 44 -1.060 0.648 3.166 1.00 32.23 H new ATOM 0 HA2 GLY A 44 0.885 -0.456 4.898 1.00 64.11 H new ATOM 0 HA3 GLY A 44 1.097 0.868 3.770 1.00 64.11 H new ATOM 657 N TRP A 45 -0.289 2.518 5.775 1.00 43.14 N ATOM 658 CA TRP A 45 -0.385 3.516 6.870 1.00 73.43 C ATOM 659 C TRP A 45 -1.062 2.915 8.135 1.00 12.32 C ATOM 660 O TRP A 45 -0.881 3.415 9.246 1.00 13.41 O ATOM 661 CB TRP A 45 -1.153 4.766 6.378 1.00 40.13 C ATOM 662 CG TRP A 45 -1.081 5.948 7.326 1.00 50.34 C ATOM 663 CD1 TRP A 45 -2.039 6.367 8.208 1.00 14.01 C ATOM 664 CD2 TRP A 45 0.029 6.844 7.496 1.00 60.03 C ATOM 665 NE1 TRP A 45 -1.609 7.485 8.874 1.00 41.41 N ATOM 666 CE2 TRP A 45 -0.348 7.798 8.458 1.00 75.13 C ATOM 667 CE3 TRP A 45 1.299 6.937 6.914 1.00 3.41 C ATOM 668 CZ2 TRP A 45 0.494 8.835 8.852 1.00 20.53 C ATOM 669 CZ3 TRP A 45 2.138 7.964 7.307 1.00 55.42 C ATOM 670 CH2 TRP A 45 1.731 8.902 8.269 1.00 32.41 C ATOM 0 H TRP A 45 -0.955 2.678 5.020 1.00 43.14 H new ATOM 0 HA TRP A 45 0.626 3.809 7.153 1.00 73.43 H new ATOM 0 HB2 TRP A 45 -0.755 5.066 5.409 1.00 40.13 H new ATOM 0 HB3 TRP A 45 -2.199 4.500 6.224 1.00 40.13 H new ATOM 0 HD1 TRP A 45 -2.995 5.887 8.358 1.00 14.01 H new ATOM 0 HE1 TRP A 45 -2.147 8.001 9.570 1.00 41.41 H new ATOM 0 HE3 TRP A 45 1.618 6.220 6.172 1.00 3.41 H new ATOM 0 HZ2 TRP A 45 0.183 9.559 9.590 1.00 20.53 H new ATOM 0 HZ3 TRP A 45 3.121 8.046 6.867 1.00 55.42 H new ATOM 0 HH2 TRP A 45 2.408 9.693 8.555 1.00 32.41 H new ATOM 681 N LEU A 46 -1.893 1.879 7.946 1.00 43.33 N ATOM 682 CA LEU A 46 -2.376 1.038 9.060 1.00 30.45 C ATOM 683 C LEU A 46 -1.231 0.132 9.590 1.00 43.10 C ATOM 684 O LEU A 46 -0.976 0.080 10.797 1.00 52.01 O ATOM 685 CB LEU A 46 -3.604 0.193 8.610 1.00 61.20 C ATOM 686 CG LEU A 46 -4.916 0.999 8.334 1.00 54.15 C ATOM 687 CD1 LEU A 46 -6.043 0.092 7.788 1.00 14.33 C ATOM 688 CD2 LEU A 46 -5.370 1.756 9.606 1.00 52.52 C ATOM 0 H LEU A 46 -2.247 1.600 7.031 1.00 43.33 H new ATOM 0 HA LEU A 46 -2.696 1.685 9.876 1.00 30.45 H new ATOM 0 HB2 LEU A 46 -3.336 -0.351 7.704 1.00 61.20 H new ATOM 0 HB3 LEU A 46 -3.811 -0.551 9.379 1.00 61.20 H new ATOM 0 HG LEU A 46 -4.696 1.734 7.560 1.00 54.15 H new ATOM 0 HD11 LEU A 46 -6.937 0.690 7.609 1.00 14.33 H new ATOM 0 HD12 LEU A 46 -5.720 -0.366 6.853 1.00 14.33 H new ATOM 0 HD13 LEU A 46 -6.267 -0.688 8.516 1.00 14.33 H new ATOM 0 HD21 LEU A 46 -6.284 2.310 9.393 1.00 52.52 H new ATOM 0 HD22 LEU A 46 -5.558 1.041 10.407 1.00 52.52 H new ATOM 0 HD23 LEU A 46 -4.588 2.450 9.915 1.00 52.52 H new ATOM 700 N ALA A 47 -0.523 -0.532 8.659 1.00 3.12 N ATOM 701 CA ALA A 47 0.563 -1.500 8.965 1.00 45.54 C ATOM 702 C ALA A 47 1.720 -0.879 9.785 1.00 13.32 C ATOM 703 O ALA A 47 2.348 -1.576 10.590 1.00 54.01 O ATOM 704 CB ALA A 47 1.106 -2.107 7.657 1.00 45.14 C ATOM 0 H ALA A 47 -0.685 -0.415 7.659 1.00 3.12 H new ATOM 0 HA ALA A 47 0.125 -2.280 9.587 1.00 45.54 H new ATOM 0 HB1 ALA A 47 1.902 -2.816 7.887 1.00 45.14 H new ATOM 0 HB2 ALA A 47 0.301 -2.623 7.134 1.00 45.14 H new ATOM 0 HB3 ALA A 47 1.500 -1.313 7.023 1.00 45.14 H new ATOM 710 N ARG A 48 1.991 0.434 9.578 1.00 32.22 N ATOM 711 CA ARG A 48 3.076 1.150 10.291 1.00 52.14 C ATOM 712 C ARG A 48 2.890 1.129 11.839 1.00 1.25 C ATOM 713 O ARG A 48 3.861 0.973 12.583 1.00 12.31 O ATOM 714 CB ARG A 48 3.198 2.612 9.794 1.00 11.34 C ATOM 715 CG ARG A 48 2.051 3.552 10.206 1.00 22.15 C ATOM 716 CD ARG A 48 2.344 5.038 9.959 1.00 3.05 C ATOM 717 NE ARG A 48 1.290 5.891 10.541 1.00 22.43 N ATOM 718 CZ ARG A 48 1.423 6.679 11.591 1.00 62.21 C ATOM 719 NH1 ARG A 48 2.543 6.741 12.261 1.00 64.03 N ATOM 720 NH2 ARG A 48 0.414 7.382 11.986 1.00 62.44 N ATOM 0 H ARG A 48 1.472 1.018 8.922 1.00 32.22 H new ATOM 0 HA ARG A 48 3.998 0.616 10.063 1.00 52.14 H new ATOM 0 HB2 ARG A 48 4.135 3.026 10.166 1.00 11.34 H new ATOM 0 HB3 ARG A 48 3.263 2.603 8.706 1.00 11.34 H new ATOM 0 HG2 ARG A 48 1.151 3.273 9.657 1.00 22.15 H new ATOM 0 HG3 ARG A 48 1.837 3.405 11.265 1.00 22.15 H new ATOM 0 HD2 ARG A 48 3.309 5.299 10.394 1.00 3.05 H new ATOM 0 HD3 ARG A 48 2.417 5.224 8.888 1.00 3.05 H new ATOM 0 HE ARG A 48 0.375 5.870 10.091 1.00 22.43 H new ATOM 0 HH11 ARG A 48 3.340 6.172 11.976 1.00 64.03 H new ATOM 0 HH12 ARG A 48 2.620 7.358 13.069 1.00 64.03 H new ATOM 0 HH21 ARG A 48 -0.474 7.325 11.488 1.00 62.44 H new ATOM 0 HH22 ARG A 48 0.505 7.995 12.796 1.00 62.44 H new ATOM 734 N GLU A 49 1.628 1.285 12.300 1.00 65.55 N ATOM 735 CA GLU A 49 1.264 1.269 13.742 1.00 30.12 C ATOM 736 C GLU A 49 0.770 -0.127 14.176 1.00 53.24 C ATOM 737 O GLU A 49 0.238 -0.283 15.282 1.00 61.55 O ATOM 738 CB GLU A 49 0.172 2.334 14.030 1.00 63.23 C ATOM 739 CG GLU A 49 0.599 3.781 13.733 1.00 52.24 C ATOM 740 CD GLU A 49 -0.498 4.804 14.069 1.00 1.33 C ATOM 741 OE1 GLU A 49 -1.384 5.046 13.219 1.00 34.41 O ATOM 742 OE2 GLU A 49 -0.487 5.359 15.191 1.00 14.55 O ATOM 0 H GLU A 49 0.828 1.426 11.683 1.00 65.55 H new ATOM 0 HA GLU A 49 2.158 1.507 14.319 1.00 30.12 H new ATOM 0 HB2 GLU A 49 -0.711 2.100 13.436 1.00 63.23 H new ATOM 0 HB3 GLU A 49 -0.120 2.262 15.078 1.00 63.23 H new ATOM 0 HG2 GLU A 49 1.496 4.015 14.306 1.00 52.24 H new ATOM 0 HG3 GLU A 49 0.861 3.869 12.679 1.00 52.24 H new ATOM 749 N ASN A 50 0.976 -1.129 13.289 1.00 64.12 N ATOM 750 CA ASN A 50 0.585 -2.541 13.507 1.00 53.23 C ATOM 751 C ASN A 50 -0.955 -2.680 13.663 1.00 10.02 C ATOM 752 O ASN A 50 -1.427 -3.461 14.465 1.00 33.05 O ATOM 753 CB ASN A 50 1.350 -3.148 14.732 1.00 13.21 C ATOM 754 CG ASN A 50 2.873 -2.964 14.644 1.00 55.11 C ATOM 755 OD1 ASN A 50 3.572 -3.782 14.069 1.00 51.34 O ATOM 756 ND2 ASN A 50 3.391 -1.890 15.217 1.00 21.11 N ATOM 0 H ASN A 50 1.426 -0.976 12.387 1.00 64.12 H new ATOM 0 HA ASN A 50 0.872 -3.113 12.624 1.00 53.23 H new ATOM 0 HB2 ASN A 50 0.986 -2.681 15.647 1.00 13.21 H new ATOM 0 HB3 ASN A 50 1.122 -4.211 14.804 1.00 13.21 H new ATOM 0 HD21 ASN A 50 4.398 -1.730 15.184 1.00 21.11 H new ATOM 0 HD22 ASN A 50 2.784 -1.222 15.691 1.00 21.11 H new ATOM 763 N LYS A 51 -1.723 -1.895 12.879 1.00 60.52 N ATOM 764 CA LYS A 51 -3.210 -1.923 12.898 1.00 75.52 C ATOM 765 C LYS A 51 -3.784 -3.099 12.068 1.00 75.30 C ATOM 766 O LYS A 51 -4.949 -3.478 12.250 1.00 52.54 O ATOM 767 CB LYS A 51 -3.771 -0.578 12.359 1.00 44.32 C ATOM 768 CG LYS A 51 -3.395 0.670 13.198 1.00 43.03 C ATOM 769 CD LYS A 51 -4.057 0.668 14.596 1.00 25.14 C ATOM 770 CE LYS A 51 -5.597 0.736 14.518 1.00 55.24 C ATOM 771 NZ LYS A 51 -6.222 0.598 15.850 1.00 51.40 N ATOM 0 H LYS A 51 -1.336 -1.224 12.215 1.00 60.52 H new ATOM 0 HA LYS A 51 -3.520 -2.068 13.933 1.00 75.52 H new ATOM 0 HB2 LYS A 51 -3.412 -0.434 11.340 1.00 44.32 H new ATOM 0 HB3 LYS A 51 -4.857 -0.649 12.307 1.00 44.32 H new ATOM 0 HG2 LYS A 51 -2.312 0.713 13.313 1.00 43.03 H new ATOM 0 HG3 LYS A 51 -3.695 1.569 12.659 1.00 43.03 H new ATOM 0 HD2 LYS A 51 -3.763 -0.234 15.133 1.00 25.14 H new ATOM 0 HD3 LYS A 51 -3.687 1.517 15.171 1.00 25.14 H new ATOM 0 HE2 LYS A 51 -5.897 1.685 14.073 1.00 55.24 H new ATOM 0 HE3 LYS A 51 -5.963 -0.054 13.862 1.00 55.24 H new ATOM 0 HZ1 LYS A 51 -7.256 0.649 15.755 1.00 51.40 H new ATOM 0 HZ2 LYS A 51 -5.957 -0.318 16.265 1.00 51.40 H new ATOM 0 HZ3 LYS A 51 -5.893 1.366 16.469 1.00 51.40 H new ATOM 785 N VAL A 52 -2.966 -3.664 11.157 1.00 4.24 N ATOM 786 CA VAL A 52 -3.376 -4.792 10.280 1.00 32.31 C ATOM 787 C VAL A 52 -2.306 -5.907 10.265 1.00 42.03 C ATOM 788 O VAL A 52 -1.114 -5.645 10.460 1.00 23.42 O ATOM 789 CB VAL A 52 -3.672 -4.322 8.796 1.00 33.43 C ATOM 790 CG1 VAL A 52 -4.896 -3.380 8.742 1.00 42.42 C ATOM 791 CG2 VAL A 52 -2.435 -3.652 8.145 1.00 72.34 C ATOM 0 H VAL A 52 -2.005 -3.357 11.005 1.00 4.24 H new ATOM 0 HA VAL A 52 -4.300 -5.187 10.701 1.00 32.31 H new ATOM 0 HB VAL A 52 -3.903 -5.217 8.218 1.00 33.43 H new ATOM 0 HG11 VAL A 52 -5.075 -3.074 7.711 1.00 42.42 H new ATOM 0 HG12 VAL A 52 -5.774 -3.902 9.123 1.00 42.42 H new ATOM 0 HG13 VAL A 52 -4.704 -2.499 9.354 1.00 42.42 H new ATOM 0 HG21 VAL A 52 -2.681 -3.345 7.128 1.00 72.34 H new ATOM 0 HG22 VAL A 52 -2.145 -2.778 8.728 1.00 72.34 H new ATOM 0 HG23 VAL A 52 -1.608 -4.362 8.120 1.00 72.34 H new ATOM 801 N VAL A 53 -2.759 -7.156 10.037 1.00 51.23 N ATOM 802 CA VAL A 53 -1.878 -8.340 9.894 1.00 74.43 C ATOM 803 C VAL A 53 -2.076 -8.960 8.483 1.00 55.34 C ATOM 804 O VAL A 53 -3.190 -9.325 8.109 1.00 53.34 O ATOM 805 CB VAL A 53 -2.173 -9.421 11.006 1.00 72.42 C ATOM 806 CG1 VAL A 53 -1.198 -10.629 10.898 1.00 74.10 C ATOM 807 CG2 VAL A 53 -2.138 -8.796 12.433 1.00 3.14 C ATOM 0 H VAL A 53 -3.751 -7.376 9.946 1.00 51.23 H new ATOM 0 HA VAL A 53 -0.845 -8.016 10.016 1.00 74.43 H new ATOM 0 HB VAL A 53 -3.182 -9.795 10.835 1.00 72.42 H new ATOM 0 HG11 VAL A 53 -1.429 -11.354 11.678 1.00 74.10 H new ATOM 0 HG12 VAL A 53 -1.309 -11.100 9.921 1.00 74.10 H new ATOM 0 HG13 VAL A 53 -0.172 -10.281 11.019 1.00 74.10 H new ATOM 0 HG21 VAL A 53 -2.345 -9.568 13.174 1.00 3.14 H new ATOM 0 HG22 VAL A 53 -1.152 -8.370 12.619 1.00 3.14 H new ATOM 0 HG23 VAL A 53 -2.892 -8.012 12.505 1.00 3.14 H new ATOM 817 N ILE A 54 -0.983 -9.055 7.707 1.00 63.31 N ATOM 818 CA ILE A 54 -0.999 -9.540 6.302 1.00 31.44 C ATOM 819 C ILE A 54 -0.573 -11.029 6.227 1.00 21.03 C ATOM 820 O ILE A 54 0.386 -11.441 6.873 1.00 3.21 O ATOM 821 CB ILE A 54 -0.045 -8.660 5.388 1.00 35.45 C ATOM 822 CG1 ILE A 54 -0.546 -7.172 5.289 1.00 41.41 C ATOM 823 CG2 ILE A 54 0.139 -9.277 3.972 1.00 3.03 C ATOM 824 CD1 ILE A 54 -0.285 -6.282 6.496 1.00 73.34 C ATOM 0 H ILE A 54 -0.052 -8.797 8.033 1.00 63.31 H new ATOM 0 HA ILE A 54 -2.020 -9.448 5.932 1.00 31.44 H new ATOM 0 HB ILE A 54 0.931 -8.654 5.872 1.00 35.45 H new ATOM 0 HG12 ILE A 54 -0.077 -6.712 4.419 1.00 41.41 H new ATOM 0 HG13 ILE A 54 -1.620 -7.186 5.102 1.00 41.41 H new ATOM 0 HG21 ILE A 54 0.799 -8.642 3.381 1.00 3.03 H new ATOM 0 HG22 ILE A 54 0.577 -10.271 4.062 1.00 3.03 H new ATOM 0 HG23 ILE A 54 -0.830 -9.351 3.479 1.00 3.03 H new ATOM 0 HD11 ILE A 54 -0.677 -5.283 6.303 1.00 73.34 H new ATOM 0 HD12 ILE A 54 -0.779 -6.703 7.372 1.00 73.34 H new ATOM 0 HD13 ILE A 54 0.788 -6.222 6.678 1.00 73.34 H new ATOM 836 N GLU A 55 -1.302 -11.836 5.427 1.00 55.43 N ATOM 837 CA GLU A 55 -0.976 -13.263 5.185 1.00 42.45 C ATOM 838 C GLU A 55 -1.105 -13.609 3.677 1.00 31.22 C ATOM 839 O GLU A 55 -2.185 -13.476 3.093 1.00 54.50 O ATOM 840 CB GLU A 55 -1.900 -14.176 6.046 1.00 24.12 C ATOM 841 CG GLU A 55 -1.703 -14.025 7.571 1.00 22.02 C ATOM 842 CD GLU A 55 -2.613 -14.939 8.405 1.00 0.32 C ATOM 843 OE1 GLU A 55 -2.301 -16.139 8.535 1.00 23.11 O ATOM 844 OE2 GLU A 55 -3.643 -14.468 8.932 1.00 13.22 O ATOM 0 H GLU A 55 -2.134 -11.519 4.929 1.00 55.43 H new ATOM 0 HA GLU A 55 0.058 -13.440 5.480 1.00 42.45 H new ATOM 0 HB2 GLU A 55 -2.939 -13.954 5.802 1.00 24.12 H new ATOM 0 HB3 GLU A 55 -1.723 -15.215 5.770 1.00 24.12 H new ATOM 0 HG2 GLU A 55 -0.663 -14.240 7.817 1.00 22.02 H new ATOM 0 HG3 GLU A 55 -1.889 -12.988 7.851 1.00 22.02 H new ATOM 851 N ARG A 56 0.022 -14.021 3.050 1.00 52.42 N ATOM 852 CA ARG A 56 0.052 -14.525 1.653 1.00 53.21 C ATOM 853 C ARG A 56 -0.370 -16.012 1.603 1.00 22.44 C ATOM 854 O ARG A 56 0.353 -16.889 2.086 1.00 13.51 O ATOM 855 CB ARG A 56 1.468 -14.344 1.022 1.00 44.14 C ATOM 856 CG ARG A 56 1.771 -12.930 0.463 1.00 42.05 C ATOM 857 CD ARG A 56 3.174 -12.858 -0.177 1.00 3.03 C ATOM 858 NE ARG A 56 3.382 -11.633 -0.976 1.00 21.45 N ATOM 859 CZ ARG A 56 4.301 -11.490 -1.911 1.00 0.13 C ATOM 860 NH1 ARG A 56 5.124 -12.452 -2.205 1.00 65.24 N ATOM 861 NH2 ARG A 56 4.377 -10.389 -2.571 1.00 62.30 N ATOM 0 H ARG A 56 0.938 -14.014 3.498 1.00 52.42 H new ATOM 0 HA ARG A 56 -0.659 -13.939 1.070 1.00 53.21 H new ATOM 0 HB2 ARG A 56 2.217 -14.586 1.776 1.00 44.14 H new ATOM 0 HB3 ARG A 56 1.583 -15.068 0.215 1.00 44.14 H new ATOM 0 HG2 ARG A 56 1.018 -12.663 -0.279 1.00 42.05 H new ATOM 0 HG3 ARG A 56 1.700 -12.198 1.267 1.00 42.05 H new ATOM 0 HD2 ARG A 56 3.928 -12.905 0.608 1.00 3.03 H new ATOM 0 HD3 ARG A 56 3.322 -13.730 -0.814 1.00 3.03 H new ATOM 0 HE ARG A 56 2.769 -10.839 -0.791 1.00 21.45 H new ATOM 0 HH11 ARG A 56 5.067 -13.341 -1.709 1.00 65.24 H new ATOM 0 HH12 ARG A 56 5.827 -12.318 -2.932 1.00 65.24 H new ATOM 0 HH21 ARG A 56 3.727 -9.629 -2.371 1.00 62.30 H new ATOM 0 HH22 ARG A 56 5.087 -10.276 -3.295 1.00 62.30 H new ATOM 875 N LYS A 57 -1.547 -16.275 1.014 1.00 55.13 N ATOM 876 CA LYS A 57 -2.146 -17.628 0.928 1.00 33.31 C ATOM 877 C LYS A 57 -2.551 -17.954 -0.533 1.00 12.23 C ATOM 878 O LYS A 57 -3.222 -17.152 -1.184 1.00 33.03 O ATOM 879 CB LYS A 57 -3.369 -17.706 1.888 1.00 52.14 C ATOM 880 CG LYS A 57 -2.998 -17.576 3.387 1.00 40.44 C ATOM 881 CD LYS A 57 -4.220 -17.360 4.303 1.00 45.31 C ATOM 882 CE LYS A 57 -3.832 -17.340 5.785 1.00 55.53 C ATOM 883 NZ LYS A 57 -4.962 -16.968 6.662 1.00 63.15 N ATOM 0 H LYS A 57 -2.120 -15.552 0.578 1.00 55.13 H new ATOM 0 HA LYS A 57 -1.412 -18.373 1.234 1.00 33.31 H new ATOM 0 HB2 LYS A 57 -4.074 -16.916 1.628 1.00 52.14 H new ATOM 0 HB3 LYS A 57 -3.882 -18.655 1.731 1.00 52.14 H new ATOM 0 HG2 LYS A 57 -2.471 -18.476 3.703 1.00 40.44 H new ATOM 0 HG3 LYS A 57 -2.307 -16.742 3.512 1.00 40.44 H new ATOM 0 HD2 LYS A 57 -4.706 -16.420 4.043 1.00 45.31 H new ATOM 0 HD3 LYS A 57 -4.947 -18.153 4.130 1.00 45.31 H new ATOM 0 HE2 LYS A 57 -3.461 -18.324 6.073 1.00 55.53 H new ATOM 0 HE3 LYS A 57 -3.014 -16.635 5.933 1.00 55.53 H new ATOM 0 HZ1 LYS A 57 -4.604 -16.738 7.611 1.00 63.15 H new ATOM 0 HZ2 LYS A 57 -5.451 -16.140 6.266 1.00 63.15 H new ATOM 0 HZ3 LYS A 57 -5.628 -17.764 6.727 1.00 63.15 H new ATOM 897 N ASN A 58 -2.130 -19.157 -1.013 1.00 73.32 N ATOM 898 CA ASN A 58 -2.315 -19.663 -2.414 1.00 13.01 C ATOM 899 C ASN A 58 -2.001 -18.603 -3.521 1.00 4.44 C ATOM 900 O ASN A 58 -2.681 -18.512 -4.552 1.00 42.44 O ATOM 901 CB ASN A 58 -3.698 -20.372 -2.607 1.00 31.13 C ATOM 902 CG ASN A 58 -4.922 -19.463 -2.430 1.00 60.14 C ATOM 903 OD1 ASN A 58 -5.411 -18.860 -3.378 1.00 2.54 O ATOM 904 ND2 ASN A 58 -5.447 -19.397 -1.226 1.00 43.00 N ATOM 0 H ASN A 58 -1.637 -19.826 -0.422 1.00 73.32 H new ATOM 0 HA ASN A 58 -1.553 -20.429 -2.554 1.00 13.01 H new ATOM 0 HB2 ASN A 58 -3.730 -20.809 -3.605 1.00 31.13 H new ATOM 0 HB3 ASN A 58 -3.770 -21.195 -1.896 1.00 31.13 H new ATOM 0 HD21 ASN A 58 -6.282 -18.834 -1.064 1.00 43.00 H new ATOM 0 HD22 ASN A 58 -5.020 -19.909 -0.454 1.00 43.00 H new ATOM 911 N GLY A 59 -0.914 -17.837 -3.296 1.00 53.02 N ATOM 912 CA GLY A 59 -0.459 -16.780 -4.225 1.00 74.44 C ATOM 913 C GLY A 59 -1.078 -15.393 -3.954 1.00 22.13 C ATOM 914 O GLY A 59 -0.471 -14.360 -4.272 1.00 11.23 O ATOM 0 H GLY A 59 -0.327 -17.933 -2.467 1.00 53.02 H new ATOM 0 HA2 GLY A 59 0.626 -16.700 -4.163 1.00 74.44 H new ATOM 0 HA3 GLY A 59 -0.699 -17.080 -5.245 1.00 74.44 H new ATOM 918 N LEU A 60 -2.292 -15.375 -3.371 1.00 71.45 N ATOM 919 CA LEU A 60 -3.018 -14.131 -3.019 1.00 13.33 C ATOM 920 C LEU A 60 -2.449 -13.506 -1.736 1.00 60.11 C ATOM 921 O LEU A 60 -1.785 -14.168 -0.944 1.00 44.44 O ATOM 922 CB LEU A 60 -4.550 -14.396 -2.845 1.00 63.24 C ATOM 923 CG LEU A 60 -5.391 -14.590 -4.152 1.00 32.30 C ATOM 924 CD1 LEU A 60 -4.976 -15.846 -4.948 1.00 62.14 C ATOM 925 CD2 LEU A 60 -6.904 -14.602 -3.829 1.00 71.23 C ATOM 0 H LEU A 60 -2.802 -16.224 -3.128 1.00 71.45 H new ATOM 0 HA LEU A 60 -2.879 -13.431 -3.843 1.00 13.33 H new ATOM 0 HB2 LEU A 60 -4.672 -15.287 -2.228 1.00 63.24 H new ATOM 0 HB3 LEU A 60 -4.977 -13.562 -2.288 1.00 63.24 H new ATOM 0 HG LEU A 60 -5.180 -13.737 -4.797 1.00 32.30 H new ATOM 0 HD11 LEU A 60 -5.592 -15.930 -5.843 1.00 62.14 H new ATOM 0 HD12 LEU A 60 -3.928 -15.765 -5.235 1.00 62.14 H new ATOM 0 HD13 LEU A 60 -5.115 -16.732 -4.328 1.00 62.14 H new ATOM 0 HD21 LEU A 60 -7.472 -14.738 -4.750 1.00 71.23 H new ATOM 0 HD22 LEU A 60 -7.123 -15.421 -3.144 1.00 71.23 H new ATOM 0 HD23 LEU A 60 -7.185 -13.656 -3.366 1.00 71.23 H new ATOM 937 N ILE A 61 -2.730 -12.217 -1.551 1.00 5.31 N ATOM 938 CA ILE A 61 -2.336 -11.457 -0.354 1.00 41.31 C ATOM 939 C ILE A 61 -3.601 -10.881 0.340 1.00 3.41 C ATOM 940 O ILE A 61 -4.361 -10.095 -0.244 1.00 35.12 O ATOM 941 CB ILE A 61 -1.279 -10.341 -0.728 1.00 64.42 C ATOM 942 CG1 ILE A 61 -0.936 -9.452 0.505 1.00 63.13 C ATOM 943 CG2 ILE A 61 -1.728 -9.497 -1.947 1.00 14.23 C ATOM 944 CD1 ILE A 61 0.203 -8.472 0.281 1.00 75.13 C ATOM 0 H ILE A 61 -3.244 -11.660 -2.233 1.00 5.31 H new ATOM 0 HA ILE A 61 -1.846 -12.119 0.360 1.00 41.31 H new ATOM 0 HB ILE A 61 -0.363 -10.850 -1.027 1.00 64.42 H new ATOM 0 HG12 ILE A 61 -1.827 -8.894 0.793 1.00 63.13 H new ATOM 0 HG13 ILE A 61 -0.681 -10.100 1.344 1.00 63.13 H new ATOM 0 HG21 ILE A 61 -0.971 -8.744 -2.167 1.00 14.23 H new ATOM 0 HG22 ILE A 61 -1.855 -10.147 -2.813 1.00 14.23 H new ATOM 0 HG23 ILE A 61 -2.674 -9.005 -1.720 1.00 14.23 H new ATOM 0 HD11 ILE A 61 0.372 -7.896 1.191 1.00 75.13 H new ATOM 0 HD12 ILE A 61 1.110 -9.020 0.025 1.00 75.13 H new ATOM 0 HD13 ILE A 61 -0.054 -7.796 -0.534 1.00 75.13 H new ATOM 956 N GLU A 62 -3.825 -11.311 1.593 1.00 53.14 N ATOM 957 CA GLU A 62 -5.028 -10.966 2.388 1.00 34.04 C ATOM 958 C GLU A 62 -4.629 -10.118 3.606 1.00 60.32 C ATOM 959 O GLU A 62 -3.582 -10.358 4.212 1.00 12.13 O ATOM 960 CB GLU A 62 -5.731 -12.266 2.878 1.00 74.30 C ATOM 961 CG GLU A 62 -6.225 -13.205 1.756 1.00 53.22 C ATOM 962 CD GLU A 62 -6.796 -14.534 2.289 1.00 54.45 C ATOM 963 OE1 GLU A 62 -7.887 -14.518 2.901 1.00 65.10 O ATOM 964 OE2 GLU A 62 -6.160 -15.593 2.110 1.00 1.04 O ATOM 0 H GLU A 62 -3.172 -11.915 2.093 1.00 53.14 H new ATOM 0 HA GLU A 62 -5.712 -10.397 1.758 1.00 34.04 H new ATOM 0 HB2 GLU A 62 -5.039 -12.818 3.514 1.00 74.30 H new ATOM 0 HB3 GLU A 62 -6.582 -11.988 3.500 1.00 74.30 H new ATOM 0 HG2 GLU A 62 -6.992 -12.694 1.174 1.00 53.22 H new ATOM 0 HG3 GLU A 62 -5.399 -13.417 1.078 1.00 53.22 H new ATOM 971 N ILE A 63 -5.462 -9.130 3.974 1.00 34.20 N ATOM 972 CA ILE A 63 -5.234 -8.306 5.185 1.00 34.44 C ATOM 973 C ILE A 63 -6.355 -8.531 6.231 1.00 5.33 C ATOM 974 O ILE A 63 -7.539 -8.669 5.893 1.00 52.30 O ATOM 975 CB ILE A 63 -5.091 -6.773 4.855 1.00 23.23 C ATOM 976 CG1 ILE A 63 -6.416 -6.169 4.300 1.00 20.21 C ATOM 977 CG2 ILE A 63 -3.924 -6.535 3.859 1.00 41.23 C ATOM 978 CD1 ILE A 63 -6.419 -4.659 4.220 1.00 61.53 C ATOM 0 H ILE A 63 -6.302 -8.878 3.453 1.00 34.20 H new ATOM 0 HA ILE A 63 -4.285 -8.635 5.609 1.00 34.44 H new ATOM 0 HB ILE A 63 -4.866 -6.260 5.790 1.00 23.23 H new ATOM 0 HG12 ILE A 63 -6.600 -6.575 3.305 1.00 20.21 H new ATOM 0 HG13 ILE A 63 -7.243 -6.490 4.933 1.00 20.21 H new ATOM 0 HG21 ILE A 63 -3.841 -5.470 3.643 1.00 41.23 H new ATOM 0 HG22 ILE A 63 -2.992 -6.890 4.299 1.00 41.23 H new ATOM 0 HG23 ILE A 63 -4.118 -7.078 2.934 1.00 41.23 H new ATOM 0 HD11 ILE A 63 -7.375 -4.318 3.824 1.00 61.53 H new ATOM 0 HD12 ILE A 63 -6.268 -4.242 5.216 1.00 61.53 H new ATOM 0 HD13 ILE A 63 -5.615 -4.328 3.562 1.00 61.53 H new ATOM 990 N TYR A 64 -5.949 -8.582 7.505 1.00 52.10 N ATOM 991 CA TYR A 64 -6.833 -8.874 8.663 1.00 63.43 C ATOM 992 C TYR A 64 -6.748 -7.726 9.697 1.00 3.12 C ATOM 993 O TYR A 64 -5.859 -6.874 9.604 1.00 63.34 O ATOM 994 CB TYR A 64 -6.411 -10.230 9.317 1.00 53.05 C ATOM 995 CG TYR A 64 -6.418 -11.442 8.354 1.00 0.10 C ATOM 996 CD1 TYR A 64 -5.349 -11.679 7.479 1.00 73.24 C ATOM 997 CD2 TYR A 64 -7.490 -12.340 8.309 1.00 43.30 C ATOM 998 CE1 TYR A 64 -5.354 -12.747 6.602 1.00 72.34 C ATOM 999 CE2 TYR A 64 -7.492 -13.417 7.434 1.00 32.21 C ATOM 1000 CZ TYR A 64 -6.422 -13.615 6.582 1.00 72.31 C ATOM 1001 OH TYR A 64 -6.429 -14.674 5.694 1.00 64.55 O ATOM 0 H TYR A 64 -4.979 -8.420 7.776 1.00 52.10 H new ATOM 0 HA TYR A 64 -7.864 -8.954 8.319 1.00 63.43 H new ATOM 0 HB2 TYR A 64 -5.410 -10.121 9.734 1.00 53.05 H new ATOM 0 HB3 TYR A 64 -7.082 -10.441 10.150 1.00 53.05 H new ATOM 0 HD1 TYR A 64 -4.501 -11.011 7.490 1.00 73.24 H new ATOM 0 HD2 TYR A 64 -8.333 -12.192 8.968 1.00 43.30 H new ATOM 0 HE1 TYR A 64 -4.520 -12.900 5.933 1.00 72.34 H new ATOM 0 HE2 TYR A 64 -8.329 -14.100 7.419 1.00 32.21 H new ATOM 0 HH TYR A 64 -7.036 -14.474 4.951 1.00 64.55 H new ATOM 1011 N ASN A 65 -7.668 -7.705 10.683 1.00 73.11 N ATOM 1012 CA ASN A 65 -7.615 -6.721 11.803 1.00 1.23 C ATOM 1013 C ASN A 65 -6.527 -7.118 12.820 1.00 22.01 C ATOM 1014 O ASN A 65 -6.191 -8.302 12.954 1.00 34.51 O ATOM 1015 CB ASN A 65 -8.984 -6.624 12.552 1.00 42.53 C ATOM 1016 CG ASN A 65 -10.154 -6.201 11.670 1.00 4.02 C ATOM 1017 OD1 ASN A 65 -10.207 -6.525 10.508 1.00 12.12 O ATOM 1018 ND2 ASN A 65 -11.109 -5.477 12.225 1.00 62.52 N ATOM 0 H ASN A 65 -8.456 -8.351 10.734 1.00 73.11 H new ATOM 0 HA ASN A 65 -7.382 -5.751 11.363 1.00 1.23 H new ATOM 0 HB2 ASN A 65 -9.211 -7.593 12.996 1.00 42.53 H new ATOM 0 HB3 ASN A 65 -8.887 -5.912 13.372 1.00 42.53 H new ATOM 0 HD21 ASN A 65 -11.912 -5.180 11.670 1.00 62.52 H new ATOM 0 HD22 ASN A 65 -11.044 -5.215 13.209 1.00 62.52 H new ATOM 1025 N GLU A 66 -5.963 -6.127 13.530 1.00 61.14 N ATOM 1026 CA GLU A 66 -5.121 -6.399 14.714 1.00 65.03 C ATOM 1027 C GLU A 66 -6.010 -6.743 15.941 1.00 22.51 C ATOM 1028 O GLU A 66 -7.196 -6.401 15.987 1.00 42.41 O ATOM 1029 CB GLU A 66 -4.170 -5.204 15.007 1.00 64.35 C ATOM 1030 CG GLU A 66 -3.105 -5.447 16.099 1.00 1.01 C ATOM 1031 CD GLU A 66 -2.176 -6.640 15.792 1.00 20.15 C ATOM 1032 OE1 GLU A 66 -2.514 -7.783 16.187 1.00 50.33 O ATOM 1033 OE2 GLU A 66 -1.119 -6.445 15.153 1.00 70.20 O ATOM 0 H GLU A 66 -6.071 -5.137 13.310 1.00 61.14 H new ATOM 0 HA GLU A 66 -4.493 -7.265 14.504 1.00 65.03 H new ATOM 0 HB2 GLU A 66 -3.660 -4.934 14.082 1.00 64.35 H new ATOM 0 HB3 GLU A 66 -4.775 -4.346 15.300 1.00 64.35 H new ATOM 0 HG2 GLU A 66 -2.502 -4.547 16.215 1.00 1.01 H new ATOM 0 HG3 GLU A 66 -3.605 -5.621 17.052 1.00 1.01 H new ATOM 1327 N LYS B 3 5.222 -8.007 9.091 1.00 54.54 N ATOM 1328 CA LYS B 3 6.021 -6.804 9.411 1.00 1.33 C ATOM 1329 C LYS B 3 7.487 -6.943 8.890 1.00 65.51 C ATOM 1330 O LYS B 3 8.131 -5.943 8.550 1.00 55.41 O ATOM 1331 CB LYS B 3 5.966 -6.513 10.955 1.00 13.02 C ATOM 1332 CG LYS B 3 5.240 -5.203 11.366 1.00 32.55 C ATOM 1333 CD LYS B 3 3.773 -5.093 10.870 1.00 2.44 C ATOM 1334 CE LYS B 3 2.840 -6.186 11.434 1.00 51.12 C ATOM 1335 NZ LYS B 3 2.737 -6.175 12.914 1.00 70.00 N ATOM 0 HA LYS B 3 5.587 -5.948 8.895 1.00 1.33 H new ATOM 0 HB2 LYS B 3 5.472 -7.351 11.447 1.00 13.02 H new ATOM 0 HB3 LYS B 3 6.987 -6.477 11.336 1.00 13.02 H new ATOM 0 HG2 LYS B 3 5.249 -5.124 12.453 1.00 32.55 H new ATOM 0 HG3 LYS B 3 5.805 -4.354 10.980 1.00 32.55 H new ATOM 0 HD2 LYS B 3 3.379 -4.115 11.145 1.00 2.44 H new ATOM 0 HD3 LYS B 3 3.763 -5.146 9.781 1.00 2.44 H new ATOM 0 HE2 LYS B 3 1.845 -6.057 11.008 1.00 51.12 H new ATOM 0 HE3 LYS B 3 3.201 -7.162 11.111 1.00 51.12 H new ATOM 0 HZ1 LYS B 3 1.768 -6.425 13.196 1.00 70.00 H new ATOM 0 HZ2 LYS B 3 3.403 -6.867 13.313 1.00 70.00 H new ATOM 0 HZ3 LYS B 3 2.968 -5.226 13.271 1.00 70.00 H new ATOM 1349 N LYS B 4 7.982 -8.199 8.821 1.00 63.52 N ATOM 1350 CA LYS B 4 9.304 -8.534 8.232 1.00 11.41 C ATOM 1351 C LYS B 4 9.275 -8.464 6.681 1.00 35.13 C ATOM 1352 O LYS B 4 10.208 -7.932 6.076 1.00 5.23 O ATOM 1353 CB LYS B 4 9.789 -9.942 8.735 1.00 30.45 C ATOM 1354 CG LYS B 4 10.796 -9.909 9.912 1.00 64.53 C ATOM 1355 CD LYS B 4 10.303 -9.105 11.142 1.00 33.25 C ATOM 1356 CE LYS B 4 11.384 -9.021 12.230 1.00 54.33 C ATOM 1357 NZ LYS B 4 10.955 -8.200 13.383 1.00 1.41 N ATOM 0 H LYS B 4 7.477 -9.013 9.172 1.00 63.52 H new ATOM 0 HA LYS B 4 10.022 -7.786 8.570 1.00 11.41 H new ATOM 0 HB2 LYS B 4 8.918 -10.522 9.039 1.00 30.45 H new ATOM 0 HB3 LYS B 4 10.248 -10.471 7.899 1.00 30.45 H new ATOM 0 HG2 LYS B 4 11.011 -10.932 10.222 1.00 64.53 H new ATOM 0 HG3 LYS B 4 11.734 -9.479 9.562 1.00 64.53 H new ATOM 0 HD2 LYS B 4 10.020 -8.100 10.831 1.00 33.25 H new ATOM 0 HD3 LYS B 4 9.409 -9.576 11.551 1.00 33.25 H new ATOM 0 HE2 LYS B 4 11.630 -10.026 12.573 1.00 54.33 H new ATOM 0 HE3 LYS B 4 12.294 -8.598 11.804 1.00 54.33 H new ATOM 0 HZ1 LYS B 4 11.716 -8.172 14.091 1.00 1.41 H new ATOM 0 HZ2 LYS B 4 10.745 -7.233 13.062 1.00 1.41 H new ATOM 0 HZ3 LYS B 4 10.102 -8.617 13.808 1.00 1.41 H new ATOM 1371 N ILE B 5 8.201 -9.000 6.049 1.00 35.43 N ATOM 1372 CA ILE B 5 8.030 -8.947 4.564 1.00 43.41 C ATOM 1373 C ILE B 5 7.946 -7.476 4.070 1.00 73.11 C ATOM 1374 O ILE B 5 8.697 -7.078 3.181 1.00 44.32 O ATOM 1375 CB ILE B 5 6.767 -9.783 4.048 1.00 14.22 C ATOM 1376 CG1 ILE B 5 7.042 -11.333 4.043 1.00 41.05 C ATOM 1377 CG2 ILE B 5 6.294 -9.326 2.632 1.00 50.30 C ATOM 1378 CD1 ILE B 5 7.195 -11.993 5.400 1.00 22.24 C ATOM 0 H ILE B 5 7.440 -9.473 6.537 1.00 35.43 H new ATOM 0 HA ILE B 5 8.915 -9.419 4.136 1.00 43.41 H new ATOM 0 HB ILE B 5 5.967 -9.578 4.759 1.00 14.22 H new ATOM 0 HG12 ILE B 5 6.225 -11.824 3.514 1.00 41.05 H new ATOM 0 HG13 ILE B 5 7.950 -11.518 3.469 1.00 41.05 H new ATOM 0 HG21 ILE B 5 5.435 -9.923 2.325 1.00 50.30 H new ATOM 0 HG22 ILE B 5 6.012 -8.274 2.665 1.00 50.30 H new ATOM 0 HG23 ILE B 5 7.105 -9.462 1.916 1.00 50.30 H new ATOM 0 HD11 ILE B 5 7.381 -13.059 5.267 1.00 22.24 H new ATOM 0 HD12 ILE B 5 8.033 -11.542 5.932 1.00 22.24 H new ATOM 0 HD13 ILE B 5 6.281 -11.853 5.978 1.00 22.24 H new ATOM 1390 N VAL B 6 7.058 -6.671 4.686 1.00 62.00 N ATOM 1391 CA VAL B 6 6.818 -5.270 4.259 1.00 73.20 C ATOM 1392 C VAL B 6 8.053 -4.375 4.497 1.00 31.52 C ATOM 1393 O VAL B 6 8.278 -3.441 3.742 1.00 72.22 O ATOM 1394 CB VAL B 6 5.546 -4.645 4.949 1.00 52.01 C ATOM 1395 CG1 VAL B 6 4.281 -5.472 4.607 1.00 75.42 C ATOM 1396 CG2 VAL B 6 5.728 -4.508 6.484 1.00 42.14 C ATOM 0 H VAL B 6 6.492 -6.964 5.483 1.00 62.00 H new ATOM 0 HA VAL B 6 6.629 -5.309 3.186 1.00 73.20 H new ATOM 0 HB VAL B 6 5.417 -3.638 4.553 1.00 52.01 H new ATOM 0 HG11 VAL B 6 3.413 -5.026 5.092 1.00 75.42 H new ATOM 0 HG12 VAL B 6 4.131 -5.478 3.527 1.00 75.42 H new ATOM 0 HG13 VAL B 6 4.408 -6.495 4.961 1.00 75.42 H new ATOM 0 HG21 VAL B 6 4.828 -4.073 6.920 1.00 42.14 H new ATOM 0 HG22 VAL B 6 5.903 -5.492 6.919 1.00 42.14 H new ATOM 0 HG23 VAL B 6 6.581 -3.862 6.693 1.00 42.14 H new ATOM 1406 N GLY B 7 8.849 -4.696 5.544 1.00 5.13 N ATOM 1407 CA GLY B 7 10.117 -4.005 5.809 1.00 73.22 C ATOM 1408 C GLY B 7 11.212 -4.367 4.798 1.00 71.35 C ATOM 1409 O GLY B 7 11.918 -3.487 4.289 1.00 44.12 O ATOM 0 H GLY B 7 8.628 -5.431 6.215 1.00 5.13 H new ATOM 0 HA2 GLY B 7 9.950 -2.928 5.788 1.00 73.22 H new ATOM 0 HA3 GLY B 7 10.459 -4.255 6.813 1.00 73.22 H new ATOM 1413 N ALA B 8 11.329 -5.679 4.503 1.00 14.41 N ATOM 1414 CA ALA B 8 12.333 -6.234 3.558 1.00 33.45 C ATOM 1415 C ALA B 8 12.129 -5.698 2.121 1.00 45.04 C ATOM 1416 O ALA B 8 13.055 -5.160 1.503 1.00 1.03 O ATOM 1417 CB ALA B 8 12.263 -7.772 3.574 1.00 72.51 C ATOM 0 H ALA B 8 10.727 -6.392 4.915 1.00 14.41 H new ATOM 0 HA ALA B 8 13.321 -5.911 3.885 1.00 33.45 H new ATOM 0 HB1 ALA B 8 13.000 -8.177 2.880 1.00 72.51 H new ATOM 0 HB2 ALA B 8 12.473 -8.135 4.580 1.00 72.51 H new ATOM 0 HB3 ALA B 8 11.266 -8.094 3.273 1.00 72.51 H new ATOM 1423 N ASN B 9 10.891 -5.841 1.614 1.00 50.24 N ATOM 1424 CA ASN B 9 10.512 -5.395 0.253 1.00 50.22 C ATOM 1425 C ASN B 9 10.353 -3.858 0.157 1.00 33.02 C ATOM 1426 O ASN B 9 10.311 -3.322 -0.949 1.00 35.14 O ATOM 1427 CB ASN B 9 9.219 -6.110 -0.212 1.00 21.33 C ATOM 1428 CG ASN B 9 9.405 -7.622 -0.387 1.00 40.20 C ATOM 1429 OD1 ASN B 9 9.902 -8.083 -1.410 1.00 70.14 O ATOM 1430 ND2 ASN B 9 8.997 -8.403 0.592 1.00 33.43 N ATOM 0 H ASN B 9 10.123 -6.268 2.132 1.00 50.24 H new ATOM 0 HA ASN B 9 11.329 -5.671 -0.414 1.00 50.22 H new ATOM 0 HB2 ASN B 9 8.427 -5.928 0.515 1.00 21.33 H new ATOM 0 HB3 ASN B 9 8.890 -5.677 -1.157 1.00 21.33 H new ATOM 0 HD21 ASN B 9 9.091 -9.415 0.510 1.00 33.43 H new ATOM 0 HD22 ASN B 9 8.587 -7.995 1.432 1.00 33.43 H new ATOM 1437 N ALA B 10 10.282 -3.152 1.315 1.00 11.43 N ATOM 1438 CA ALA B 10 10.314 -1.667 1.347 1.00 4.43 C ATOM 1439 C ALA B 10 11.703 -1.147 0.921 1.00 50.42 C ATOM 1440 O ALA B 10 11.821 -0.058 0.360 1.00 43.44 O ATOM 1441 CB ALA B 10 9.940 -1.134 2.736 1.00 64.11 C ATOM 0 H ALA B 10 10.203 -3.585 2.235 1.00 11.43 H new ATOM 0 HA ALA B 10 9.573 -1.299 0.637 1.00 4.43 H new ATOM 0 HB1 ALA B 10 9.972 -0.045 2.728 1.00 64.11 H new ATOM 0 HB2 ALA B 10 8.934 -1.466 2.994 1.00 64.11 H new ATOM 0 HB3 ALA B 10 10.647 -1.513 3.474 1.00 64.11 H new ATOM 1447 N GLY B 11 12.744 -1.963 1.187 1.00 43.51 N ATOM 1448 CA GLY B 11 14.103 -1.685 0.718 1.00 33.02 C ATOM 1449 C GLY B 11 14.236 -1.759 -0.806 1.00 22.42 C ATOM 1450 O GLY B 11 14.883 -0.906 -1.425 1.00 31.44 O ATOM 0 H GLY B 11 12.660 -2.823 1.728 1.00 43.51 H new ATOM 0 HA2 GLY B 11 14.402 -0.693 1.056 1.00 33.02 H new ATOM 0 HA3 GLY B 11 14.791 -2.398 1.172 1.00 33.02 H new ATOM 1454 N LYS B 12 13.591 -2.780 -1.401 1.00 13.23 N ATOM 1455 CA LYS B 12 13.607 -3.012 -2.860 1.00 13.34 C ATOM 1456 C LYS B 12 12.804 -1.930 -3.627 1.00 22.31 C ATOM 1457 O LYS B 12 13.299 -1.373 -4.614 1.00 14.10 O ATOM 1458 CB LYS B 12 13.053 -4.427 -3.177 1.00 32.31 C ATOM 1459 CG LYS B 12 13.136 -4.825 -4.671 1.00 62.50 C ATOM 1460 CD LYS B 12 12.531 -6.215 -4.972 1.00 40.32 C ATOM 1461 CE LYS B 12 13.287 -7.371 -4.304 1.00 44.42 C ATOM 1462 NZ LYS B 12 12.647 -8.674 -4.583 1.00 32.22 N ATOM 0 H LYS B 12 13.043 -3.468 -0.885 1.00 13.23 H new ATOM 0 HA LYS B 12 14.641 -2.946 -3.197 1.00 13.34 H new ATOM 0 HB2 LYS B 12 13.603 -5.160 -2.587 1.00 32.31 H new ATOM 0 HB3 LYS B 12 12.012 -4.477 -2.857 1.00 32.31 H new ATOM 0 HG2 LYS B 12 12.618 -4.075 -5.268 1.00 62.50 H new ATOM 0 HG3 LYS B 12 14.180 -4.816 -4.984 1.00 62.50 H new ATOM 0 HD2 LYS B 12 11.493 -6.230 -4.639 1.00 40.32 H new ATOM 0 HD3 LYS B 12 12.522 -6.373 -6.051 1.00 40.32 H new ATOM 0 HE2 LYS B 12 14.317 -7.387 -4.661 1.00 44.42 H new ATOM 0 HE3 LYS B 12 13.325 -7.207 -3.227 1.00 44.42 H new ATOM 0 HZ1 LYS B 12 13.185 -9.432 -4.116 1.00 32.22 H new ATOM 0 HZ2 LYS B 12 11.672 -8.667 -4.220 1.00 32.22 H new ATOM 0 HZ3 LYS B 12 12.633 -8.841 -5.609 1.00 32.22 H new ATOM 1476 N VAL B 13 11.568 -1.633 -3.159 1.00 12.22 N ATOM 1477 CA VAL B 13 10.689 -0.622 -3.810 1.00 3.20 C ATOM 1478 C VAL B 13 11.259 0.809 -3.676 1.00 24.44 C ATOM 1479 O VAL B 13 11.071 1.632 -4.574 1.00 44.45 O ATOM 1480 CB VAL B 13 9.191 -0.674 -3.296 1.00 53.52 C ATOM 1481 CG1 VAL B 13 8.568 -2.076 -3.506 1.00 1.44 C ATOM 1482 CG2 VAL B 13 9.067 -0.238 -1.820 1.00 25.33 C ATOM 0 H VAL B 13 11.155 -2.075 -2.337 1.00 12.22 H new ATOM 0 HA VAL B 13 10.672 -0.889 -4.867 1.00 3.20 H new ATOM 0 HB VAL B 13 8.630 0.042 -3.897 1.00 53.52 H new ATOM 0 HG11 VAL B 13 7.540 -2.076 -3.142 1.00 1.44 H new ATOM 0 HG12 VAL B 13 8.577 -2.323 -4.568 1.00 1.44 H new ATOM 0 HG13 VAL B 13 9.147 -2.818 -2.956 1.00 1.44 H new ATOM 0 HG21 VAL B 13 8.023 -0.290 -1.512 1.00 25.33 H new ATOM 0 HG22 VAL B 13 9.663 -0.901 -1.193 1.00 25.33 H new ATOM 0 HG23 VAL B 13 9.427 0.785 -1.711 1.00 25.33 H new ATOM 1492 N TRP B 14 11.961 1.086 -2.549 1.00 43.23 N ATOM 1493 CA TRP B 14 12.642 2.384 -2.328 1.00 53.44 C ATOM 1494 C TRP B 14 13.840 2.554 -3.284 1.00 5.34 C ATOM 1495 O TRP B 14 14.073 3.644 -3.800 1.00 55.22 O ATOM 1496 CB TRP B 14 13.132 2.543 -0.861 1.00 13.45 C ATOM 1497 CG TRP B 14 13.552 3.963 -0.523 1.00 24.21 C ATOM 1498 CD1 TRP B 14 12.735 4.992 -0.146 1.00 34.11 C ATOM 1499 CD2 TRP B 14 14.879 4.510 -0.561 1.00 71.23 C ATOM 1500 NE1 TRP B 14 13.469 6.130 0.047 1.00 54.24 N ATOM 1501 CE2 TRP B 14 14.783 5.864 -0.200 1.00 63.11 C ATOM 1502 CE3 TRP B 14 16.130 3.982 -0.867 1.00 50.52 C ATOM 1503 CZ2 TRP B 14 15.893 6.702 -0.132 1.00 55.24 C ATOM 1504 CZ3 TRP B 14 17.237 4.809 -0.802 1.00 43.42 C ATOM 1505 CH2 TRP B 14 17.111 6.159 -0.438 1.00 61.15 C ATOM 0 H TRP B 14 12.070 0.426 -1.779 1.00 43.23 H new ATOM 0 HA TRP B 14 11.903 3.159 -2.532 1.00 53.44 H new ATOM 0 HB2 TRP B 14 12.336 2.235 -0.183 1.00 13.45 H new ATOM 0 HB3 TRP B 14 13.973 1.871 -0.691 1.00 13.45 H new ATOM 0 HD1 TRP B 14 11.665 4.917 -0.019 1.00 34.11 H new ATOM 0 HE1 TRP B 14 13.093 7.035 0.331 1.00 54.24 H new ATOM 0 HE3 TRP B 14 16.235 2.945 -1.150 1.00 50.52 H new ATOM 0 HZ2 TRP B 14 15.796 7.740 0.151 1.00 55.24 H new ATOM 0 HZ3 TRP B 14 18.213 4.410 -1.035 1.00 43.42 H new ATOM 0 HH2 TRP B 14 17.993 6.781 -0.399 1.00 61.15 H new ATOM 1516 N HIS B 15 14.607 1.465 -3.484 1.00 72.15 N ATOM 1517 CA HIS B 15 15.804 1.474 -4.358 1.00 34.00 C ATOM 1518 C HIS B 15 15.409 1.615 -5.850 1.00 62.21 C ATOM 1519 O HIS B 15 16.064 2.342 -6.603 1.00 13.23 O ATOM 1520 CB HIS B 15 16.647 0.194 -4.133 1.00 60.12 C ATOM 1521 CG HIS B 15 18.001 0.233 -4.799 1.00 20.00 C ATOM 1522 ND1 HIS B 15 19.096 0.844 -4.229 1.00 70.21 N ATOM 1523 CD2 HIS B 15 18.431 -0.250 -5.993 1.00 33.50 C ATOM 1524 CE1 HIS B 15 20.131 0.742 -5.033 1.00 14.32 C ATOM 1525 NE2 HIS B 15 19.757 0.085 -6.108 1.00 23.13 N ATOM 0 H HIS B 15 14.420 0.561 -3.051 1.00 72.15 H new ATOM 0 HA HIS B 15 16.410 2.340 -4.092 1.00 34.00 H new ATOM 0 HB2 HIS B 15 16.783 0.043 -3.062 1.00 60.12 H new ATOM 0 HB3 HIS B 15 16.092 -0.666 -4.508 1.00 60.12 H new ATOM 0 HD2 HIS B 15 17.841 -0.795 -6.715 1.00 33.50 H new ATOM 0 HE1 HIS B 15 21.120 1.132 -4.843 1.00 14.32 H new ATOM 0 HE2 HIS B 15 20.357 -0.140 -6.902 1.00 23.13 H new ATOM 1534 N ALA B 16 14.330 0.913 -6.256 1.00 12.11 N ATOM 1535 CA ALA B 16 13.775 1.002 -7.629 1.00 64.25 C ATOM 1536 C ALA B 16 13.172 2.401 -7.901 1.00 75.31 C ATOM 1537 O ALA B 16 13.179 2.890 -9.035 1.00 44.22 O ATOM 1538 CB ALA B 16 12.726 -0.090 -7.849 1.00 14.44 C ATOM 0 H ALA B 16 13.820 0.272 -5.648 1.00 12.11 H new ATOM 0 HA ALA B 16 14.592 0.850 -8.335 1.00 64.25 H new ATOM 0 HB1 ALA B 16 12.327 -0.013 -8.860 1.00 14.44 H new ATOM 0 HB2 ALA B 16 13.186 -1.069 -7.714 1.00 14.44 H new ATOM 0 HB3 ALA B 16 11.917 0.033 -7.129 1.00 14.44 H new ATOM 1544 N LEU B 17 12.624 3.009 -6.840 1.00 74.42 N ATOM 1545 CA LEU B 17 12.190 4.421 -6.832 1.00 50.24 C ATOM 1546 C LEU B 17 13.422 5.370 -6.946 1.00 73.04 C ATOM 1547 O LEU B 17 13.404 6.324 -7.726 1.00 75.10 O ATOM 1548 CB LEU B 17 11.322 4.667 -5.544 1.00 12.40 C ATOM 1549 CG LEU B 17 10.886 6.131 -5.144 1.00 34.52 C ATOM 1550 CD1 LEU B 17 11.941 6.832 -4.257 1.00 15.12 C ATOM 1551 CD2 LEU B 17 10.511 6.983 -6.381 1.00 12.12 C ATOM 0 H LEU B 17 12.466 2.533 -5.952 1.00 74.42 H new ATOM 0 HA LEU B 17 11.568 4.644 -7.699 1.00 50.24 H new ATOM 0 HB2 LEU B 17 10.412 4.077 -5.651 1.00 12.40 H new ATOM 0 HB3 LEU B 17 11.873 4.252 -4.700 1.00 12.40 H new ATOM 0 HG LEU B 17 9.983 6.035 -4.541 1.00 34.52 H new ATOM 0 HD11 LEU B 17 11.597 7.836 -4.007 1.00 15.12 H new ATOM 0 HD12 LEU B 17 12.085 6.259 -3.341 1.00 15.12 H new ATOM 0 HD13 LEU B 17 12.886 6.896 -4.797 1.00 15.12 H new ATOM 0 HD21 LEU B 17 10.217 7.982 -6.059 1.00 12.12 H new ATOM 0 HD22 LEU B 17 11.370 7.054 -7.048 1.00 12.12 H new ATOM 0 HD23 LEU B 17 9.681 6.513 -6.908 1.00 12.12 H new ATOM 1563 N ASN B 18 14.489 5.071 -6.185 1.00 24.15 N ATOM 1564 CA ASN B 18 15.700 5.928 -6.091 1.00 2.44 C ATOM 1565 C ASN B 18 16.427 6.047 -7.460 1.00 12.15 C ATOM 1566 O ASN B 18 16.939 7.119 -7.806 1.00 13.11 O ATOM 1567 CB ASN B 18 16.648 5.358 -5.002 1.00 44.45 C ATOM 1568 CG ASN B 18 17.874 6.235 -4.724 1.00 2.30 C ATOM 1569 OD1 ASN B 18 18.924 6.072 -5.334 1.00 32.44 O ATOM 1570 ND2 ASN B 18 17.754 7.169 -3.792 1.00 62.54 N ATOM 0 H ASN B 18 14.543 4.228 -5.614 1.00 24.15 H new ATOM 0 HA ASN B 18 15.394 6.935 -5.810 1.00 2.44 H new ATOM 0 HB2 ASN B 18 16.087 5.231 -4.076 1.00 44.45 H new ATOM 0 HB3 ASN B 18 16.984 4.368 -5.309 1.00 44.45 H new ATOM 0 HD21 ASN B 18 18.546 7.772 -3.569 1.00 62.54 H new ATOM 0 HD22 ASN B 18 16.869 7.286 -3.298 1.00 62.54 H new ATOM 1577 N GLU B 19 16.435 4.942 -8.233 1.00 63.42 N ATOM 1578 CA GLU B 19 17.052 4.894 -9.584 1.00 15.30 C ATOM 1579 C GLU B 19 16.076 5.410 -10.678 1.00 11.03 C ATOM 1580 O GLU B 19 16.515 5.947 -11.698 1.00 43.25 O ATOM 1581 CB GLU B 19 17.499 3.441 -9.907 1.00 32.32 C ATOM 1582 CG GLU B 19 16.350 2.412 -9.901 1.00 34.14 C ATOM 1583 CD GLU B 19 16.805 0.970 -10.145 1.00 3.22 C ATOM 1584 OE1 GLU B 19 17.284 0.316 -9.195 1.00 23.33 O ATOM 1585 OE2 GLU B 19 16.683 0.480 -11.291 1.00 65.22 O ATOM 0 H GLU B 19 16.017 4.058 -7.944 1.00 63.42 H new ATOM 0 HA GLU B 19 17.922 5.551 -9.581 1.00 15.30 H new ATOM 0 HB2 GLU B 19 17.978 3.429 -10.886 1.00 32.32 H new ATOM 0 HB3 GLU B 19 18.251 3.134 -9.180 1.00 32.32 H new ATOM 0 HG2 GLU B 19 15.836 2.463 -8.941 1.00 34.14 H new ATOM 0 HG3 GLU B 19 15.625 2.688 -10.666 1.00 34.14 H new ATOM 1592 N ALA B 20 14.751 5.228 -10.463 1.00 42.21 N ATOM 1593 CA ALA B 20 13.707 5.625 -11.440 1.00 74.01 C ATOM 1594 C ALA B 20 12.536 6.352 -10.734 1.00 62.43 C ATOM 1595 O ALA B 20 11.721 5.725 -10.043 1.00 53.20 O ATOM 1596 CB ALA B 20 13.211 4.394 -12.223 1.00 43.42 C ATOM 0 H ALA B 20 14.377 4.805 -9.614 1.00 42.21 H new ATOM 0 HA ALA B 20 14.146 6.325 -12.151 1.00 74.01 H new ATOM 0 HB1 ALA B 20 12.446 4.700 -12.936 1.00 43.42 H new ATOM 0 HB2 ALA B 20 14.046 3.943 -12.759 1.00 43.42 H new ATOM 0 HB3 ALA B 20 12.790 3.667 -11.529 1.00 43.42 H new ATOM 1602 N ASP B 21 12.459 7.673 -10.960 1.00 62.40 N ATOM 1603 CA ASP B 21 11.508 8.597 -10.286 1.00 53.25 C ATOM 1604 C ASP B 21 10.078 8.530 -10.890 1.00 54.24 C ATOM 1605 O ASP B 21 9.859 7.808 -11.862 1.00 22.34 O ATOM 1606 CB ASP B 21 12.056 10.041 -10.427 1.00 13.22 C ATOM 1607 CG ASP B 21 12.169 10.495 -11.902 1.00 44.42 C ATOM 1608 OD1 ASP B 21 13.221 10.263 -12.533 1.00 60.25 O ATOM 1609 OD2 ASP B 21 11.189 11.049 -12.441 1.00 23.40 O ATOM 0 H ASP B 21 13.065 8.147 -11.629 1.00 62.40 H new ATOM 0 HA ASP B 21 11.427 8.298 -9.241 1.00 53.25 H new ATOM 0 HB2 ASP B 21 11.402 10.728 -9.889 1.00 13.22 H new ATOM 0 HB3 ASP B 21 13.037 10.100 -9.957 1.00 13.22 H new ATOM 1614 N GLY B 22 9.123 9.282 -10.270 1.00 75.34 N ATOM 1615 CA GLY B 22 7.810 9.623 -10.881 1.00 63.53 C ATOM 1616 C GLY B 22 7.071 8.451 -11.530 1.00 52.41 C ATOM 1617 O GLY B 22 6.500 8.589 -12.614 1.00 12.33 O ATOM 0 H GLY B 22 9.245 9.667 -9.333 1.00 75.34 H new ATOM 0 HA2 GLY B 22 7.170 10.054 -10.111 1.00 63.53 H new ATOM 0 HA3 GLY B 22 7.967 10.395 -11.634 1.00 63.53 H new ATOM 1621 N ILE B 23 7.118 7.295 -10.865 1.00 33.53 N ATOM 1622 CA ILE B 23 6.678 6.010 -11.440 1.00 30.14 C ATOM 1623 C ILE B 23 5.415 5.504 -10.695 1.00 55.43 C ATOM 1624 O ILE B 23 5.399 5.467 -9.465 1.00 74.34 O ATOM 1625 CB ILE B 23 7.883 4.971 -11.392 1.00 5.15 C ATOM 1626 CG1 ILE B 23 7.556 3.651 -12.164 1.00 52.22 C ATOM 1627 CG2 ILE B 23 8.367 4.683 -9.949 1.00 53.15 C ATOM 1628 CD1 ILE B 23 7.579 3.787 -13.677 1.00 63.32 C ATOM 0 H ILE B 23 7.463 7.217 -9.908 1.00 33.53 H new ATOM 0 HA ILE B 23 6.398 6.135 -12.486 1.00 30.14 H new ATOM 0 HB ILE B 23 8.714 5.450 -11.910 1.00 5.15 H new ATOM 0 HG12 ILE B 23 8.273 2.885 -11.869 1.00 52.22 H new ATOM 0 HG13 ILE B 23 6.571 3.300 -11.858 1.00 52.22 H new ATOM 0 HG21 ILE B 23 9.189 3.968 -9.977 1.00 53.15 H new ATOM 0 HG22 ILE B 23 8.707 5.610 -9.488 1.00 53.15 H new ATOM 0 HG23 ILE B 23 7.545 4.268 -9.366 1.00 53.15 H new ATOM 0 HD11 ILE B 23 7.342 2.826 -14.132 1.00 63.32 H new ATOM 0 HD12 ILE B 23 6.842 4.527 -13.987 1.00 63.32 H new ATOM 0 HD13 ILE B 23 8.570 4.106 -13.999 1.00 63.32 H new ATOM 1640 N SER B 24 4.334 5.164 -11.440 1.00 52.35 N ATOM 1641 CA SER B 24 3.061 4.682 -10.826 1.00 63.14 C ATOM 1642 C SER B 24 3.246 3.296 -10.177 1.00 5.03 C ATOM 1643 O SER B 24 4.164 2.565 -10.546 1.00 23.43 O ATOM 1644 CB SER B 24 1.915 4.649 -11.862 1.00 1.23 C ATOM 1645 OG SER B 24 2.181 3.739 -12.909 1.00 14.22 O ATOM 0 H SER B 24 4.313 5.212 -12.459 1.00 52.35 H new ATOM 0 HA SER B 24 2.788 5.390 -10.044 1.00 63.14 H new ATOM 0 HB2 SER B 24 0.985 4.371 -11.366 1.00 1.23 H new ATOM 0 HB3 SER B 24 1.770 5.647 -12.276 1.00 1.23 H new ATOM 0 HG SER B 24 1.435 3.744 -13.544 1.00 14.22 H new ATOM 1651 N ILE B 25 2.359 2.937 -9.227 1.00 53.34 N ATOM 1652 CA ILE B 25 2.517 1.719 -8.386 1.00 71.41 C ATOM 1653 C ILE B 25 2.576 0.368 -9.199 1.00 4.13 C ATOM 1654 O ILE B 25 3.425 -0.467 -8.883 1.00 60.15 O ATOM 1655 CB ILE B 25 1.415 1.661 -7.258 1.00 61.44 C ATOM 1656 CG1 ILE B 25 1.560 2.894 -6.295 1.00 54.04 C ATOM 1657 CG2 ILE B 25 1.448 0.317 -6.479 1.00 44.54 C ATOM 1658 CD1 ILE B 25 0.538 2.969 -5.169 1.00 50.03 C ATOM 0 H ILE B 25 1.518 3.474 -9.017 1.00 53.34 H new ATOM 0 HA ILE B 25 3.497 1.814 -7.919 1.00 71.41 H new ATOM 0 HB ILE B 25 0.438 1.713 -7.739 1.00 61.44 H new ATOM 0 HG12 ILE B 25 2.558 2.875 -5.856 1.00 54.04 H new ATOM 0 HG13 ILE B 25 1.490 3.806 -6.888 1.00 54.04 H new ATOM 0 HG21 ILE B 25 0.673 0.321 -5.713 1.00 44.54 H new ATOM 0 HG22 ILE B 25 1.271 -0.508 -7.169 1.00 44.54 H new ATOM 0 HG23 ILE B 25 2.423 0.193 -6.008 1.00 44.54 H new ATOM 0 HD11 ILE B 25 0.727 3.856 -4.564 1.00 50.03 H new ATOM 0 HD12 ILE B 25 -0.465 3.025 -5.591 1.00 50.03 H new ATOM 0 HD13 ILE B 25 0.619 2.080 -4.544 1.00 50.03 H new ATOM 1670 N PRO B 26 1.698 0.104 -10.242 1.00 14.31 N ATOM 1671 CA PRO B 26 1.829 -1.126 -11.093 1.00 31.45 C ATOM 1672 C PRO B 26 3.121 -1.140 -11.964 1.00 71.14 C ATOM 1673 O PRO B 26 3.673 -2.205 -12.269 1.00 1.54 O ATOM 1674 CB PRO B 26 0.542 -1.101 -11.968 1.00 75.42 C ATOM 1675 CG PRO B 26 0.147 0.346 -12.012 1.00 10.22 C ATOM 1676 CD PRO B 26 0.504 0.903 -10.650 1.00 14.25 C ATOM 0 HA PRO B 26 1.922 -2.028 -10.488 1.00 31.45 H new ATOM 0 HB2 PRO B 26 0.734 -1.491 -12.968 1.00 75.42 H new ATOM 0 HB3 PRO B 26 -0.246 -1.715 -11.532 1.00 75.42 H new ATOM 0 HG2 PRO B 26 0.678 0.874 -12.804 1.00 10.22 H new ATOM 0 HG3 PRO B 26 -0.918 0.456 -12.214 1.00 10.22 H new ATOM 0 HD2 PRO B 26 0.733 1.968 -10.700 1.00 14.25 H new ATOM 0 HD3 PRO B 26 -0.317 0.786 -9.942 1.00 14.25 H new ATOM 1684 N GLU B 27 3.604 0.057 -12.319 1.00 61.43 N ATOM 1685 CA GLU B 27 4.831 0.253 -13.132 1.00 63.14 C ATOM 1686 C GLU B 27 6.106 0.116 -12.271 1.00 50.11 C ATOM 1687 O GLU B 27 7.197 -0.182 -12.760 1.00 71.04 O ATOM 1688 CB GLU B 27 4.767 1.647 -13.782 1.00 20.32 C ATOM 1689 CG GLU B 27 3.694 1.795 -14.884 1.00 31.15 C ATOM 1690 CD GLU B 27 3.985 0.951 -16.143 1.00 0.31 C ATOM 1691 OE1 GLU B 27 3.577 -0.230 -16.210 1.00 43.44 O ATOM 1692 OE2 GLU B 27 4.631 1.468 -17.078 1.00 2.15 O ATOM 0 H GLU B 27 3.155 0.933 -12.051 1.00 61.43 H new ATOM 0 HA GLU B 27 4.879 -0.518 -13.901 1.00 63.14 H new ATOM 0 HB2 GLU B 27 4.575 2.387 -13.005 1.00 20.32 H new ATOM 0 HB3 GLU B 27 5.742 1.879 -14.210 1.00 20.32 H new ATOM 0 HG2 GLU B 27 2.725 1.505 -14.478 1.00 31.15 H new ATOM 0 HG3 GLU B 27 3.619 2.844 -15.169 1.00 31.15 H new ATOM 1699 N LEU B 28 5.935 0.419 -11.000 1.00 61.03 N ATOM 1700 CA LEU B 28 6.911 0.182 -9.937 1.00 74.15 C ATOM 1701 C LEU B 28 6.944 -1.328 -9.548 1.00 70.21 C ATOM 1702 O LEU B 28 8.014 -1.889 -9.295 1.00 20.32 O ATOM 1703 CB LEU B 28 6.501 1.090 -8.761 1.00 42.33 C ATOM 1704 CG LEU B 28 7.267 0.950 -7.422 1.00 42.54 C ATOM 1705 CD1 LEU B 28 8.764 1.320 -7.547 1.00 21.45 C ATOM 1706 CD2 LEU B 28 6.555 1.790 -6.350 1.00 43.14 C ATOM 0 H LEU B 28 5.079 0.856 -10.658 1.00 61.03 H new ATOM 0 HA LEU B 28 7.925 0.423 -10.255 1.00 74.15 H new ATOM 0 HB2 LEU B 28 6.596 2.124 -9.091 1.00 42.33 H new ATOM 0 HB3 LEU B 28 5.444 0.915 -8.559 1.00 42.33 H new ATOM 0 HG LEU B 28 7.255 -0.099 -7.125 1.00 42.54 H new ATOM 0 HD11 LEU B 28 9.250 1.203 -6.578 1.00 21.45 H new ATOM 0 HD12 LEU B 28 9.242 0.663 -8.274 1.00 21.45 H new ATOM 0 HD13 LEU B 28 8.857 2.355 -7.877 1.00 21.45 H new ATOM 0 HD21 LEU B 28 7.087 1.698 -5.403 1.00 43.14 H new ATOM 0 HD22 LEU B 28 6.540 2.836 -6.658 1.00 43.14 H new ATOM 0 HD23 LEU B 28 5.532 1.433 -6.228 1.00 43.14 H new ATOM 1718 N ALA B 29 5.747 -1.959 -9.546 1.00 33.25 N ATOM 1719 CA ALA B 29 5.546 -3.381 -9.163 1.00 75.31 C ATOM 1720 C ALA B 29 6.299 -4.365 -10.090 1.00 71.33 C ATOM 1721 O ALA B 29 6.867 -5.355 -9.626 1.00 61.42 O ATOM 1722 CB ALA B 29 4.042 -3.711 -9.139 1.00 52.35 C ATOM 0 H ALA B 29 4.881 -1.491 -9.813 1.00 33.25 H new ATOM 0 HA ALA B 29 5.967 -3.507 -8.165 1.00 75.31 H new ATOM 0 HB1 ALA B 29 3.903 -4.755 -8.858 1.00 52.35 H new ATOM 0 HB2 ALA B 29 3.540 -3.070 -8.414 1.00 52.35 H new ATOM 0 HB3 ALA B 29 3.617 -3.542 -10.128 1.00 52.35 H new ATOM 1728 N ARG B 30 6.286 -4.071 -11.400 1.00 13.15 N ATOM 1729 CA ARG B 30 7.023 -4.861 -12.423 1.00 24.31 C ATOM 1730 C ARG B 30 8.560 -4.728 -12.272 1.00 22.41 C ATOM 1731 O ARG B 30 9.290 -5.689 -12.540 1.00 35.10 O ATOM 1732 CB ARG B 30 6.562 -4.453 -13.855 1.00 2.52 C ATOM 1733 CG ARG B 30 6.561 -2.932 -14.104 1.00 42.11 C ATOM 1734 CD ARG B 30 6.020 -2.515 -15.484 1.00 71.30 C ATOM 1735 NE ARG B 30 7.001 -2.698 -16.564 1.00 52.02 N ATOM 1736 CZ ARG B 30 7.039 -2.007 -17.686 1.00 22.33 C ATOM 1737 NH1 ARG B 30 6.166 -1.068 -17.937 1.00 51.43 N ATOM 1738 NH2 ARG B 30 7.962 -2.261 -18.552 1.00 14.14 N ATOM 0 H ARG B 30 5.768 -3.283 -11.788 1.00 13.15 H new ATOM 0 HA ARG B 30 6.783 -5.912 -12.263 1.00 24.31 H new ATOM 0 HB2 ARG B 30 7.215 -4.930 -14.586 1.00 2.52 H new ATOM 0 HB3 ARG B 30 5.557 -4.839 -14.026 1.00 2.52 H new ATOM 0 HG2 ARG B 30 5.962 -2.450 -13.331 1.00 42.11 H new ATOM 0 HG3 ARG B 30 7.579 -2.558 -13.998 1.00 42.11 H new ATOM 0 HD2 ARG B 30 5.127 -3.098 -15.709 1.00 71.30 H new ATOM 0 HD3 ARG B 30 5.718 -1.468 -15.449 1.00 71.30 H new ATOM 0 HE ARG B 30 7.711 -3.419 -16.434 1.00 52.02 H new ATOM 0 HH11 ARG B 30 5.435 -0.856 -17.258 1.00 51.43 H new ATOM 0 HH12 ARG B 30 6.215 -0.546 -18.812 1.00 51.43 H new ATOM 0 HH21 ARG B 30 8.651 -2.989 -18.364 1.00 14.14 H new ATOM 0 HH22 ARG B 30 8.002 -1.733 -19.424 1.00 14.14 H new ATOM 1752 N LYS B 31 9.042 -3.538 -11.835 1.00 62.02 N ATOM 1753 CA LYS B 31 10.488 -3.304 -11.571 1.00 14.10 C ATOM 1754 C LYS B 31 10.976 -4.155 -10.368 1.00 50.14 C ATOM 1755 O LYS B 31 12.049 -4.768 -10.410 1.00 24.23 O ATOM 1756 CB LYS B 31 10.775 -1.798 -11.288 1.00 52.24 C ATOM 1757 CG LYS B 31 10.435 -0.827 -12.445 1.00 40.15 C ATOM 1758 CD LYS B 31 10.944 0.622 -12.191 1.00 34.34 C ATOM 1759 CE LYS B 31 10.420 1.232 -10.880 1.00 42.45 C ATOM 1760 NZ LYS B 31 10.936 2.602 -10.637 1.00 71.14 N ATOM 0 H LYS B 31 8.453 -2.725 -11.657 1.00 62.02 H new ATOM 0 HA LYS B 31 11.032 -3.604 -12.467 1.00 14.10 H new ATOM 0 HB2 LYS B 31 10.209 -1.497 -10.406 1.00 52.24 H new ATOM 0 HB3 LYS B 31 11.831 -1.687 -11.042 1.00 52.24 H new ATOM 0 HG2 LYS B 31 10.874 -1.204 -13.369 1.00 40.15 H new ATOM 0 HG3 LYS B 31 9.355 -0.807 -12.590 1.00 40.15 H new ATOM 0 HD2 LYS B 31 12.034 0.618 -12.171 1.00 34.34 H new ATOM 0 HD3 LYS B 31 10.642 1.257 -13.024 1.00 34.34 H new ATOM 0 HE2 LYS B 31 9.331 1.258 -10.907 1.00 42.45 H new ATOM 0 HE3 LYS B 31 10.703 0.589 -10.047 1.00 42.45 H new ATOM 0 HZ1 LYS B 31 10.461 3.009 -9.806 1.00 71.14 H new ATOM 0 HZ2 LYS B 31 11.961 2.562 -10.465 1.00 71.14 H new ATOM 0 HZ3 LYS B 31 10.748 3.197 -11.469 1.00 71.14 H new ATOM 1774 N VAL B 32 10.151 -4.184 -9.305 1.00 54.43 N ATOM 1775 CA VAL B 32 10.473 -4.877 -8.032 1.00 72.14 C ATOM 1776 C VAL B 32 9.985 -6.349 -8.016 1.00 21.52 C ATOM 1777 O VAL B 32 10.243 -7.078 -7.052 1.00 64.53 O ATOM 1778 CB VAL B 32 9.868 -4.090 -6.814 1.00 5.31 C ATOM 1779 CG1 VAL B 32 10.387 -2.636 -6.798 1.00 73.44 C ATOM 1780 CG2 VAL B 32 8.322 -4.119 -6.814 1.00 4.44 C ATOM 0 H VAL B 32 9.239 -3.728 -9.299 1.00 54.43 H new ATOM 0 HA VAL B 32 11.559 -4.899 -7.947 1.00 72.14 H new ATOM 0 HB VAL B 32 10.199 -4.592 -5.905 1.00 5.31 H new ATOM 0 HG11 VAL B 32 9.958 -2.106 -5.948 1.00 73.44 H new ATOM 0 HG12 VAL B 32 11.474 -2.638 -6.713 1.00 73.44 H new ATOM 0 HG13 VAL B 32 10.096 -2.136 -7.722 1.00 73.44 H new ATOM 0 HG21 VAL B 32 7.948 -3.563 -5.955 1.00 4.44 H new ATOM 0 HG22 VAL B 32 7.950 -3.663 -7.731 1.00 4.44 H new ATOM 0 HG23 VAL B 32 7.977 -5.151 -6.756 1.00 4.44 H new ATOM 1790 N ASN B 33 9.264 -6.753 -9.090 1.00 73.40 N ATOM 1791 CA ASN B 33 8.774 -8.142 -9.306 1.00 3.54 C ATOM 1792 C ASN B 33 7.726 -8.589 -8.238 1.00 13.01 C ATOM 1793 O ASN B 33 7.497 -9.790 -8.043 1.00 21.52 O ATOM 1794 CB ASN B 33 9.978 -9.133 -9.396 1.00 10.10 C ATOM 1795 CG ASN B 33 11.009 -8.753 -10.474 1.00 33.33 C ATOM 1796 OD1 ASN B 33 12.206 -8.960 -10.301 1.00 5.32 O ATOM 1797 ND2 ASN B 33 10.561 -8.218 -11.598 1.00 20.55 N ATOM 0 H ASN B 33 9.001 -6.117 -9.843 1.00 73.40 H new ATOM 0 HA ASN B 33 8.244 -8.157 -10.259 1.00 3.54 H new ATOM 0 HB2 ASN B 33 10.476 -9.175 -8.427 1.00 10.10 H new ATOM 0 HB3 ASN B 33 9.599 -10.134 -9.604 1.00 10.10 H new ATOM 0 HD21 ASN B 33 11.215 -7.970 -12.341 1.00 20.55 H new ATOM 0 HD22 ASN B 33 9.562 -8.054 -11.722 1.00 20.55 H new ATOM 1804 N LEU B 34 7.059 -7.609 -7.594 1.00 4.13 N ATOM 1805 CA LEU B 34 5.984 -7.861 -6.603 1.00 44.13 C ATOM 1806 C LEU B 34 4.598 -7.566 -7.220 1.00 10.12 C ATOM 1807 O LEU B 34 4.502 -6.885 -8.244 1.00 21.33 O ATOM 1808 CB LEU B 34 6.192 -6.959 -5.355 1.00 2.05 C ATOM 1809 CG LEU B 34 7.554 -7.115 -4.605 1.00 73.31 C ATOM 1810 CD1 LEU B 34 7.735 -6.004 -3.549 1.00 52.25 C ATOM 1811 CD2 LEU B 34 7.691 -8.519 -3.972 1.00 63.24 C ATOM 0 H LEU B 34 7.248 -6.618 -7.744 1.00 4.13 H new ATOM 0 HA LEU B 34 6.027 -8.910 -6.309 1.00 44.13 H new ATOM 0 HB2 LEU B 34 6.089 -5.919 -5.664 1.00 2.05 H new ATOM 0 HB3 LEU B 34 5.387 -7.162 -4.648 1.00 2.05 H new ATOM 0 HG LEU B 34 8.352 -7.009 -5.340 1.00 73.31 H new ATOM 0 HD11 LEU B 34 8.691 -6.136 -3.042 1.00 52.25 H new ATOM 0 HD12 LEU B 34 7.716 -5.030 -4.038 1.00 52.25 H new ATOM 0 HD13 LEU B 34 6.927 -6.060 -2.820 1.00 52.25 H new ATOM 0 HD21 LEU B 34 8.649 -8.594 -3.458 1.00 63.24 H new ATOM 0 HD22 LEU B 34 6.883 -8.677 -3.258 1.00 63.24 H new ATOM 0 HD23 LEU B 34 7.638 -9.277 -4.753 1.00 63.24 H new ATOM 1823 N SER B 35 3.530 -8.090 -6.592 1.00 23.15 N ATOM 1824 CA SER B 35 2.129 -7.718 -6.925 1.00 51.22 C ATOM 1825 C SER B 35 1.863 -6.226 -6.600 1.00 54.32 C ATOM 1826 O SER B 35 2.505 -5.675 -5.708 1.00 51.34 O ATOM 1827 CB SER B 35 1.142 -8.615 -6.135 1.00 54.43 C ATOM 1828 OG SER B 35 -0.208 -8.205 -6.317 1.00 43.04 O ATOM 0 H SER B 35 3.605 -8.779 -5.844 1.00 23.15 H new ATOM 0 HA SER B 35 1.978 -7.870 -7.994 1.00 51.22 H new ATOM 0 HB2 SER B 35 1.254 -9.650 -6.458 1.00 54.43 H new ATOM 0 HB3 SER B 35 1.391 -8.583 -5.074 1.00 54.43 H new ATOM 0 HG SER B 35 -0.801 -8.795 -5.806 1.00 43.04 H new ATOM 1834 N VAL B 36 0.917 -5.588 -7.329 1.00 34.44 N ATOM 1835 CA VAL B 36 0.531 -4.158 -7.113 1.00 42.14 C ATOM 1836 C VAL B 36 0.138 -3.901 -5.637 1.00 31.45 C ATOM 1837 O VAL B 36 0.559 -2.911 -5.031 1.00 61.15 O ATOM 1838 CB VAL B 36 -0.667 -3.743 -8.055 1.00 35.33 C ATOM 1839 CG1 VAL B 36 -1.146 -2.286 -7.797 1.00 72.32 C ATOM 1840 CG2 VAL B 36 -0.290 -3.941 -9.543 1.00 45.21 C ATOM 0 H VAL B 36 0.398 -6.040 -8.081 1.00 34.44 H new ATOM 0 HA VAL B 36 1.402 -3.550 -7.358 1.00 42.14 H new ATOM 0 HB VAL B 36 -1.503 -4.401 -7.815 1.00 35.33 H new ATOM 0 HG11 VAL B 36 -1.971 -2.050 -8.470 1.00 72.32 H new ATOM 0 HG12 VAL B 36 -1.481 -2.191 -6.764 1.00 72.32 H new ATOM 0 HG13 VAL B 36 -0.322 -1.595 -7.976 1.00 72.32 H new ATOM 0 HG21 VAL B 36 -1.130 -3.649 -10.173 1.00 45.21 H new ATOM 0 HG22 VAL B 36 0.576 -3.325 -9.784 1.00 45.21 H new ATOM 0 HG23 VAL B 36 -0.050 -4.989 -9.721 1.00 45.21 H new ATOM 1850 N GLU B 37 -0.653 -4.836 -5.093 1.00 53.21 N ATOM 1851 CA GLU B 37 -1.086 -4.842 -3.677 1.00 22.14 C ATOM 1852 C GLU B 37 0.121 -4.874 -2.697 1.00 73.32 C ATOM 1853 O GLU B 37 0.189 -4.083 -1.754 1.00 2.23 O ATOM 1854 CB GLU B 37 -1.996 -6.071 -3.442 1.00 53.42 C ATOM 1855 CG GLU B 37 -3.228 -6.127 -4.364 1.00 65.00 C ATOM 1856 CD GLU B 37 -4.032 -7.435 -4.204 1.00 34.41 C ATOM 1857 OE1 GLU B 37 -4.928 -7.507 -3.333 1.00 21.03 O ATOM 1858 OE2 GLU B 37 -3.755 -8.406 -4.944 1.00 64.05 O ATOM 0 H GLU B 37 -1.019 -5.624 -5.627 1.00 53.21 H new ATOM 0 HA GLU B 37 -1.632 -3.920 -3.479 1.00 22.14 H new ATOM 0 HB2 GLU B 37 -1.408 -6.978 -3.584 1.00 53.42 H new ATOM 0 HB3 GLU B 37 -2.332 -6.068 -2.405 1.00 53.42 H new ATOM 0 HG2 GLU B 37 -3.877 -5.278 -4.149 1.00 65.00 H new ATOM 0 HG3 GLU B 37 -2.906 -6.028 -5.401 1.00 65.00 H new ATOM 1865 N SER B 38 1.079 -5.784 -2.974 1.00 31.31 N ATOM 1866 CA SER B 38 2.299 -5.990 -2.139 1.00 3.12 C ATOM 1867 C SER B 38 3.270 -4.786 -2.212 1.00 74.41 C ATOM 1868 O SER B 38 3.918 -4.430 -1.221 1.00 30.44 O ATOM 1869 CB SER B 38 3.040 -7.271 -2.594 1.00 2.22 C ATOM 1870 OG SER B 38 2.236 -8.437 -2.442 1.00 2.15 O ATOM 0 H SER B 38 1.035 -6.402 -3.784 1.00 31.31 H new ATOM 0 HA SER B 38 1.968 -6.091 -1.105 1.00 3.12 H new ATOM 0 HB2 SER B 38 3.334 -7.168 -3.638 1.00 2.22 H new ATOM 0 HB3 SER B 38 3.956 -7.385 -2.014 1.00 2.22 H new ATOM 0 HG SER B 38 1.324 -8.176 -2.195 1.00 2.15 H new ATOM 1876 N THR B 39 3.357 -4.184 -3.410 1.00 22.11 N ATOM 1877 CA THR B 39 4.258 -3.050 -3.699 1.00 13.25 C ATOM 1878 C THR B 39 3.769 -1.770 -2.996 1.00 62.53 C ATOM 1879 O THR B 39 4.522 -1.142 -2.262 1.00 43.44 O ATOM 1880 CB THR B 39 4.370 -2.811 -5.243 1.00 41.44 C ATOM 1881 OG1 THR B 39 4.849 -4.006 -5.876 1.00 13.24 O ATOM 1882 CG2 THR B 39 5.314 -1.651 -5.598 1.00 64.42 C ATOM 0 H THR B 39 2.800 -4.472 -4.214 1.00 22.11 H new ATOM 0 HA THR B 39 5.247 -3.299 -3.314 1.00 13.25 H new ATOM 0 HB THR B 39 3.374 -2.549 -5.599 1.00 41.44 H new ATOM 0 HG1 THR B 39 4.136 -4.678 -5.887 1.00 13.24 H new ATOM 0 HG21 THR B 39 5.353 -1.532 -6.681 1.00 64.42 H new ATOM 0 HG22 THR B 39 4.946 -0.731 -5.144 1.00 64.42 H new ATOM 0 HG23 THR B 39 6.314 -1.867 -5.221 1.00 64.42 H new ATOM 1890 N ALA B 40 2.480 -1.432 -3.212 1.00 24.14 N ATOM 1891 CA ALA B 40 1.809 -0.257 -2.581 1.00 3.31 C ATOM 1892 C ALA B 40 1.853 -0.310 -1.033 1.00 34.50 C ATOM 1893 O ALA B 40 1.901 0.725 -0.360 1.00 3.42 O ATOM 1894 CB ALA B 40 0.353 -0.189 -3.056 1.00 10.15 C ATOM 0 H ALA B 40 1.866 -1.963 -3.830 1.00 24.14 H new ATOM 0 HA ALA B 40 2.352 0.637 -2.888 1.00 3.31 H new ATOM 0 HB1 ALA B 40 -0.140 0.668 -2.597 1.00 10.15 H new ATOM 0 HB2 ALA B 40 0.329 -0.084 -4.141 1.00 10.15 H new ATOM 0 HB3 ALA B 40 -0.167 -1.103 -2.769 1.00 10.15 H new ATOM 1900 N LEU B 41 1.817 -1.540 -0.507 1.00 72.52 N ATOM 1901 CA LEU B 41 1.927 -1.837 0.937 1.00 50.53 C ATOM 1902 C LEU B 41 3.332 -1.423 1.468 1.00 20.34 C ATOM 1903 O LEU B 41 3.456 -0.693 2.458 1.00 25.40 O ATOM 1904 CB LEU B 41 1.693 -3.363 1.146 1.00 14.23 C ATOM 1905 CG LEU B 41 0.982 -3.847 2.453 1.00 70.11 C ATOM 1906 CD1 LEU B 41 1.109 -5.373 2.560 1.00 61.31 C ATOM 1907 CD2 LEU B 41 1.496 -3.147 3.734 1.00 24.35 C ATOM 0 H LEU B 41 1.709 -2.377 -1.079 1.00 72.52 H new ATOM 0 HA LEU B 41 1.179 -1.270 1.491 1.00 50.53 H new ATOM 0 HB2 LEU B 41 1.110 -3.726 0.300 1.00 14.23 H new ATOM 0 HB3 LEU B 41 2.664 -3.855 1.098 1.00 14.23 H new ATOM 0 HG LEU B 41 -0.068 -3.566 2.378 1.00 70.11 H new ATOM 0 HD11 LEU B 41 0.615 -5.716 3.469 1.00 61.31 H new ATOM 0 HD12 LEU B 41 0.639 -5.839 1.694 1.00 61.31 H new ATOM 0 HD13 LEU B 41 2.163 -5.649 2.593 1.00 61.31 H new ATOM 0 HD21 LEU B 41 0.958 -3.532 4.600 1.00 24.35 H new ATOM 0 HD22 LEU B 41 2.562 -3.342 3.853 1.00 24.35 H new ATOM 0 HD23 LEU B 41 1.331 -2.073 3.653 1.00 24.35 H new ATOM 1919 N ALA B 42 4.377 -1.925 0.779 1.00 33.11 N ATOM 1920 CA ALA B 42 5.792 -1.654 1.122 1.00 30.44 C ATOM 1921 C ALA B 42 6.143 -0.154 0.951 1.00 73.24 C ATOM 1922 O ALA B 42 7.024 0.376 1.631 1.00 40.14 O ATOM 1923 CB ALA B 42 6.704 -2.538 0.260 1.00 22.01 C ATOM 0 H ALA B 42 4.265 -2.532 -0.033 1.00 33.11 H new ATOM 0 HA ALA B 42 5.949 -1.897 2.173 1.00 30.44 H new ATOM 0 HB1 ALA B 42 7.746 -2.340 0.511 1.00 22.01 H new ATOM 0 HB2 ALA B 42 6.478 -3.587 0.450 1.00 22.01 H new ATOM 0 HB3 ALA B 42 6.536 -2.315 -0.794 1.00 22.01 H new ATOM 1929 N VAL B 43 5.439 0.507 0.018 1.00 4.24 N ATOM 1930 CA VAL B 43 5.520 1.974 -0.186 1.00 33.51 C ATOM 1931 C VAL B 43 4.866 2.736 0.998 1.00 11.23 C ATOM 1932 O VAL B 43 5.381 3.770 1.443 1.00 43.41 O ATOM 1933 CB VAL B 43 4.854 2.380 -1.557 1.00 43.15 C ATOM 1934 CG1 VAL B 43 4.707 3.913 -1.716 1.00 74.14 C ATOM 1935 CG2 VAL B 43 5.642 1.784 -2.754 1.00 74.41 C ATOM 0 H VAL B 43 4.794 0.043 -0.621 1.00 4.24 H new ATOM 0 HA VAL B 43 6.572 2.256 -0.222 1.00 33.51 H new ATOM 0 HB VAL B 43 3.848 1.960 -1.551 1.00 43.15 H new ATOM 0 HG11 VAL B 43 4.243 4.136 -2.677 1.00 74.14 H new ATOM 0 HG12 VAL B 43 4.083 4.304 -0.912 1.00 74.14 H new ATOM 0 HG13 VAL B 43 5.691 4.379 -1.671 1.00 74.14 H new ATOM 0 HG21 VAL B 43 5.163 2.078 -3.688 1.00 74.41 H new ATOM 0 HG22 VAL B 43 6.666 2.158 -2.738 1.00 74.41 H new ATOM 0 HG23 VAL B 43 5.652 0.697 -2.678 1.00 74.41 H new ATOM 1945 N GLY B 44 3.728 2.209 1.493 1.00 74.01 N ATOM 1946 CA GLY B 44 3.085 2.719 2.718 1.00 43.23 C ATOM 1947 C GLY B 44 3.974 2.583 3.970 1.00 2.23 C ATOM 1948 O GLY B 44 3.857 3.370 4.922 1.00 34.04 O ATOM 0 H GLY B 44 3.235 1.428 1.060 1.00 74.01 H new ATOM 0 HA2 GLY B 44 2.827 3.768 2.576 1.00 43.23 H new ATOM 0 HA3 GLY B 44 2.152 2.180 2.882 1.00 43.23 H new ATOM 1952 N TRP B 45 4.874 1.575 3.957 1.00 22.14 N ATOM 1953 CA TRP B 45 5.881 1.362 5.024 1.00 11.35 C ATOM 1954 C TRP B 45 6.996 2.443 4.970 1.00 71.25 C ATOM 1955 O TRP B 45 7.538 2.851 5.998 1.00 24.31 O ATOM 1956 CB TRP B 45 6.494 -0.056 4.900 1.00 33.44 C ATOM 1957 CG TRP B 45 7.304 -0.468 6.107 1.00 51.01 C ATOM 1958 CD1 TRP B 45 8.671 -0.479 6.251 1.00 11.44 C ATOM 1959 CD2 TRP B 45 6.770 -0.905 7.362 1.00 61.22 C ATOM 1960 NE1 TRP B 45 9.002 -0.910 7.509 1.00 50.24 N ATOM 1961 CE2 TRP B 45 7.857 -1.177 8.206 1.00 13.21 C ATOM 1962 CE3 TRP B 45 5.473 -1.093 7.848 1.00 52.23 C ATOM 1963 CZ2 TRP B 45 7.689 -1.636 9.504 1.00 31.12 C ATOM 1964 CZ3 TRP B 45 5.308 -1.550 9.137 1.00 35.21 C ATOM 1965 CH2 TRP B 45 6.408 -1.812 9.954 1.00 45.31 C ATOM 0 H TRP B 45 4.924 0.885 3.207 1.00 22.14 H new ATOM 0 HA TRP B 45 5.380 1.449 5.988 1.00 11.35 H new ATOM 0 HB2 TRP B 45 5.692 -0.778 4.746 1.00 33.44 H new ATOM 0 HB3 TRP B 45 7.130 -0.093 4.015 1.00 33.44 H new ATOM 0 HD1 TRP B 45 9.378 -0.191 5.487 1.00 11.44 H new ATOM 0 HE1 TRP B 45 9.951 -1.015 7.868 1.00 50.24 H new ATOM 0 HE3 TRP B 45 4.616 -0.884 7.225 1.00 52.23 H new ATOM 0 HZ2 TRP B 45 8.538 -1.847 10.137 1.00 31.12 H new ATOM 0 HZ3 TRP B 45 4.311 -1.708 9.521 1.00 35.21 H new ATOM 0 HH2 TRP B 45 6.246 -2.161 10.963 1.00 45.31 H new ATOM 1976 N LEU B 46 7.337 2.880 3.749 1.00 31.22 N ATOM 1977 CA LEU B 46 8.273 4.007 3.521 1.00 52.15 C ATOM 1978 C LEU B 46 7.626 5.360 3.910 1.00 4.32 C ATOM 1979 O LEU B 46 8.321 6.288 4.333 1.00 60.15 O ATOM 1980 CB LEU B 46 8.704 4.020 2.038 1.00 54.41 C ATOM 1981 CG LEU B 46 9.459 2.753 1.537 1.00 21.22 C ATOM 1982 CD1 LEU B 46 9.646 2.787 0.010 1.00 51.23 C ATOM 1983 CD2 LEU B 46 10.812 2.589 2.266 1.00 13.34 C ATOM 0 H LEU B 46 6.976 2.468 2.889 1.00 31.22 H new ATOM 0 HA LEU B 46 9.150 3.869 4.154 1.00 52.15 H new ATOM 0 HB2 LEU B 46 7.815 4.156 1.423 1.00 54.41 H new ATOM 0 HB3 LEU B 46 9.342 4.888 1.873 1.00 54.41 H new ATOM 0 HG LEU B 46 8.848 1.882 1.775 1.00 21.22 H new ATOM 0 HD11 LEU B 46 10.176 1.890 -0.312 1.00 51.23 H new ATOM 0 HD12 LEU B 46 8.671 2.826 -0.475 1.00 51.23 H new ATOM 0 HD13 LEU B 46 10.224 3.669 -0.266 1.00 51.23 H new ATOM 0 HD21 LEU B 46 11.318 1.697 1.897 1.00 13.34 H new ATOM 0 HD22 LEU B 46 11.435 3.464 2.078 1.00 13.34 H new ATOM 0 HD23 LEU B 46 10.638 2.491 3.338 1.00 13.34 H new ATOM 1995 N ALA B 47 6.292 5.464 3.714 1.00 13.42 N ATOM 1996 CA ALA B 47 5.478 6.618 4.179 1.00 21.22 C ATOM 1997 C ALA B 47 5.523 6.783 5.723 1.00 62.05 C ATOM 1998 O ALA B 47 5.438 7.906 6.232 1.00 4.42 O ATOM 1999 CB ALA B 47 4.028 6.478 3.679 1.00 54.14 C ATOM 0 H ALA B 47 5.746 4.752 3.229 1.00 13.42 H new ATOM 0 HA ALA B 47 5.912 7.523 3.755 1.00 21.22 H new ATOM 0 HB1 ALA B 47 3.440 7.328 4.025 1.00 54.14 H new ATOM 0 HB2 ALA B 47 4.020 6.451 2.589 1.00 54.14 H new ATOM 0 HB3 ALA B 47 3.596 5.556 4.068 1.00 54.14 H new ATOM 2005 N ARG B 48 5.648 5.649 6.456 1.00 71.31 N ATOM 2006 CA ARG B 48 5.969 5.658 7.908 1.00 22.44 C ATOM 2007 C ARG B 48 7.318 6.370 8.171 1.00 51.43 C ATOM 2008 O ARG B 48 7.422 7.263 9.016 1.00 13.34 O ATOM 2009 CB ARG B 48 6.075 4.204 8.448 1.00 42.31 C ATOM 2010 CG ARG B 48 6.632 4.090 9.894 1.00 75.03 C ATOM 2011 CD ARG B 48 6.917 2.643 10.335 1.00 23.43 C ATOM 2012 NE ARG B 48 7.574 2.606 11.654 1.00 52.31 N ATOM 2013 CZ ARG B 48 7.646 1.570 12.457 1.00 73.31 C ATOM 2014 NH1 ARG B 48 7.076 0.442 12.165 1.00 12.14 N ATOM 2015 NH2 ARG B 48 8.299 1.683 13.568 1.00 4.21 N ATOM 0 H ARG B 48 5.531 4.714 6.066 1.00 71.31 H new ATOM 0 HA ARG B 48 5.166 6.192 8.417 1.00 22.44 H new ATOM 0 HB2 ARG B 48 5.087 3.746 8.416 1.00 42.31 H new ATOM 0 HB3 ARG B 48 6.715 3.628 7.780 1.00 42.31 H new ATOM 0 HG2 ARG B 48 7.552 4.670 9.966 1.00 75.03 H new ATOM 0 HG3 ARG B 48 5.918 4.537 10.585 1.00 75.03 H new ATOM 0 HD2 ARG B 48 5.983 2.082 10.375 1.00 23.43 H new ATOM 0 HD3 ARG B 48 7.551 2.153 9.596 1.00 23.43 H new ATOM 0 HE ARG B 48 8.015 3.468 11.974 1.00 52.31 H new ATOM 0 HH11 ARG B 48 6.556 0.344 11.293 1.00 12.14 H new ATOM 0 HH12 ARG B 48 7.148 -0.347 12.807 1.00 12.14 H new ATOM 0 HH21 ARG B 48 8.748 2.567 13.808 1.00 4.21 H new ATOM 0 HH22 ARG B 48 8.365 0.888 14.204 1.00 4.21 H new ATOM 2029 N GLU B 49 8.334 5.940 7.411 1.00 42.41 N ATOM 2030 CA GLU B 49 9.732 6.375 7.590 1.00 2.33 C ATOM 2031 C GLU B 49 9.999 7.770 6.963 1.00 34.43 C ATOM 2032 O GLU B 49 11.102 8.313 7.109 1.00 34.44 O ATOM 2033 CB GLU B 49 10.674 5.322 6.959 1.00 63.23 C ATOM 2034 CG GLU B 49 10.458 3.875 7.445 1.00 33.22 C ATOM 2035 CD GLU B 49 11.421 2.869 6.779 1.00 25.13 C ATOM 2036 OE1 GLU B 49 11.331 2.674 5.549 1.00 43.04 O ATOM 2037 OE2 GLU B 49 12.283 2.285 7.474 1.00 31.32 O ATOM 0 H GLU B 49 8.211 5.275 6.647 1.00 42.41 H new ATOM 0 HA GLU B 49 9.923 6.463 8.659 1.00 2.33 H new ATOM 0 HB2 GLU B 49 10.549 5.348 5.877 1.00 63.23 H new ATOM 0 HB3 GLU B 49 11.705 5.608 7.167 1.00 63.23 H new ATOM 0 HG2 GLU B 49 10.591 3.836 8.526 1.00 33.22 H new ATOM 0 HG3 GLU B 49 9.430 3.577 7.239 1.00 33.22 H new ATOM 2044 N ASN B 50 8.982 8.309 6.240 1.00 52.00 N ATOM 2045 CA ASN B 50 9.014 9.648 5.584 1.00 3.43 C ATOM 2046 C ASN B 50 10.101 9.729 4.471 1.00 43.11 C ATOM 2047 O ASN B 50 10.542 10.816 4.081 1.00 30.12 O ATOM 2048 CB ASN B 50 9.193 10.776 6.645 1.00 51.21 C ATOM 2049 CG ASN B 50 8.166 10.697 7.782 1.00 33.12 C ATOM 2050 OD1 ASN B 50 7.037 10.257 7.595 1.00 60.24 O ATOM 2051 ND2 ASN B 50 8.558 11.099 8.974 1.00 53.40 N ATOM 0 H ASN B 50 8.100 7.818 6.093 1.00 52.00 H new ATOM 0 HA ASN B 50 8.053 9.796 5.091 1.00 3.43 H new ATOM 0 HB2 ASN B 50 10.197 10.716 7.065 1.00 51.21 H new ATOM 0 HB3 ASN B 50 9.110 11.746 6.154 1.00 51.21 H new ATOM 0 HD21 ASN B 50 7.917 11.048 9.766 1.00 53.40 H new ATOM 0 HD22 ASN B 50 9.502 11.461 9.105 1.00 53.40 H new ATOM 2058 N LYS B 51 10.477 8.555 3.940 1.00 60.41 N ATOM 2059 CA LYS B 51 11.544 8.397 2.928 1.00 41.10 C ATOM 2060 C LYS B 51 11.019 8.553 1.481 1.00 0.32 C ATOM 2061 O LYS B 51 11.805 8.504 0.535 1.00 41.22 O ATOM 2062 CB LYS B 51 12.205 7.002 3.116 1.00 14.23 C ATOM 2063 CG LYS B 51 13.168 6.893 4.324 1.00 13.20 C ATOM 2064 CD LYS B 51 13.472 5.429 4.722 1.00 74.54 C ATOM 2065 CE LYS B 51 13.969 4.550 3.561 1.00 4.24 C ATOM 2066 NZ LYS B 51 14.013 3.117 3.947 1.00 33.03 N ATOM 0 H LYS B 51 10.043 7.671 4.204 1.00 60.41 H new ATOM 0 HA LYS B 51 12.276 9.191 3.078 1.00 41.10 H new ATOM 0 HB2 LYS B 51 11.418 6.256 3.229 1.00 14.23 H new ATOM 0 HB3 LYS B 51 12.754 6.751 2.209 1.00 14.23 H new ATOM 0 HG2 LYS B 51 14.102 7.400 4.084 1.00 13.20 H new ATOM 0 HG3 LYS B 51 12.733 7.413 5.177 1.00 13.20 H new ATOM 0 HD2 LYS B 51 14.223 5.428 5.512 1.00 74.54 H new ATOM 0 HD3 LYS B 51 12.570 4.983 5.140 1.00 74.54 H new ATOM 0 HE2 LYS B 51 13.313 4.676 2.700 1.00 4.24 H new ATOM 0 HE3 LYS B 51 14.963 4.877 3.255 1.00 4.24 H new ATOM 0 HZ1 LYS B 51 14.051 2.528 3.091 1.00 33.03 H new ATOM 0 HZ2 LYS B 51 14.858 2.939 4.527 1.00 33.03 H new ATOM 0 HZ3 LYS B 51 13.161 2.879 4.494 1.00 33.03 H new ATOM 2080 N VAL B 52 9.693 8.716 1.303 1.00 33.14 N ATOM 2081 CA VAL B 52 9.069 8.849 -0.042 1.00 22.21 C ATOM 2082 C VAL B 52 8.028 9.991 -0.102 1.00 53.10 C ATOM 2083 O VAL B 52 7.611 10.531 0.926 1.00 33.34 O ATOM 2084 CB VAL B 52 8.385 7.510 -0.502 1.00 1.44 C ATOM 2085 CG1 VAL B 52 9.422 6.396 -0.781 1.00 11.44 C ATOM 2086 CG2 VAL B 52 7.302 7.046 0.514 1.00 62.21 C ATOM 0 H VAL B 52 9.026 8.760 2.073 1.00 33.14 H new ATOM 0 HA VAL B 52 9.887 9.089 -0.721 1.00 22.21 H new ATOM 0 HB VAL B 52 7.880 7.716 -1.446 1.00 1.44 H new ATOM 0 HG11 VAL B 52 8.906 5.489 -1.096 1.00 11.44 H new ATOM 0 HG12 VAL B 52 10.101 6.720 -1.570 1.00 11.44 H new ATOM 0 HG13 VAL B 52 9.991 6.193 0.126 1.00 11.44 H new ATOM 0 HG21 VAL B 52 6.850 6.118 0.165 1.00 62.21 H new ATOM 0 HG22 VAL B 52 7.763 6.881 1.488 1.00 62.21 H new ATOM 0 HG23 VAL B 52 6.533 7.814 0.602 1.00 62.21 H new ATOM 2096 N VAL B 53 7.636 10.352 -1.342 1.00 31.13 N ATOM 2097 CA VAL B 53 6.604 11.382 -1.621 1.00 34.44 C ATOM 2098 C VAL B 53 5.369 10.763 -2.327 1.00 15.31 C ATOM 2099 O VAL B 53 5.513 10.061 -3.331 1.00 71.34 O ATOM 2100 CB VAL B 53 7.189 12.515 -2.536 1.00 64.25 C ATOM 2101 CG1 VAL B 53 6.191 13.694 -2.707 1.00 41.31 C ATOM 2102 CG2 VAL B 53 8.571 12.994 -2.022 1.00 11.22 C ATOM 0 H VAL B 53 8.028 9.936 -2.187 1.00 31.13 H new ATOM 0 HA VAL B 53 6.297 11.800 -0.662 1.00 34.44 H new ATOM 0 HB VAL B 53 7.341 12.089 -3.528 1.00 64.25 H new ATOM 0 HG11 VAL B 53 6.635 14.456 -3.347 1.00 41.31 H new ATOM 0 HG12 VAL B 53 5.271 13.329 -3.163 1.00 41.31 H new ATOM 0 HG13 VAL B 53 5.967 14.125 -1.731 1.00 41.31 H new ATOM 0 HG21 VAL B 53 8.950 13.779 -2.676 1.00 11.22 H new ATOM 0 HG22 VAL B 53 8.467 13.384 -1.010 1.00 11.22 H new ATOM 0 HG23 VAL B 53 9.268 12.156 -2.018 1.00 11.22 H new ATOM 2112 N ILE B 54 4.160 11.080 -1.825 1.00 14.22 N ATOM 2113 CA ILE B 54 2.879 10.589 -2.391 1.00 4.32 C ATOM 2114 C ILE B 54 2.061 11.757 -2.993 1.00 42.22 C ATOM 2115 O ILE B 54 1.908 12.809 -2.361 1.00 13.34 O ATOM 2116 CB ILE B 54 2.016 9.865 -1.278 1.00 3.33 C ATOM 2117 CG1 ILE B 54 2.696 8.538 -0.803 1.00 62.01 C ATOM 2118 CG2 ILE B 54 0.555 9.609 -1.745 1.00 33.52 C ATOM 2119 CD1 ILE B 54 2.825 7.460 -1.874 1.00 42.23 C ATOM 0 H ILE B 54 4.039 11.685 -1.013 1.00 14.22 H new ATOM 0 HA ILE B 54 3.118 9.876 -3.180 1.00 4.32 H new ATOM 0 HB ILE B 54 1.967 10.542 -0.425 1.00 3.33 H new ATOM 0 HG12 ILE B 54 3.691 8.773 -0.424 1.00 62.01 H new ATOM 0 HG13 ILE B 54 2.124 8.133 0.032 1.00 62.01 H new ATOM 0 HG21 ILE B 54 0.001 9.111 -0.950 1.00 33.52 H new ATOM 0 HG22 ILE B 54 0.076 10.560 -1.980 1.00 33.52 H new ATOM 0 HG23 ILE B 54 0.562 8.977 -2.633 1.00 33.52 H new ATOM 0 HD11 ILE B 54 3.308 6.580 -1.449 1.00 42.23 H new ATOM 0 HD12 ILE B 54 1.834 7.189 -2.239 1.00 42.23 H new ATOM 0 HD13 ILE B 54 3.425 7.839 -2.701 1.00 42.23 H new ATOM 2131 N GLU B 55 1.540 11.558 -4.221 1.00 43.13 N ATOM 2132 CA GLU B 55 0.527 12.450 -4.833 1.00 14.33 C ATOM 2133 C GLU B 55 -0.622 11.639 -5.473 1.00 0.34 C ATOM 2134 O GLU B 55 -0.462 10.464 -5.818 1.00 34.54 O ATOM 2135 CB GLU B 55 1.134 13.355 -5.935 1.00 43.11 C ATOM 2136 CG GLU B 55 2.163 14.398 -5.480 1.00 13.24 C ATOM 2137 CD GLU B 55 2.472 15.406 -6.600 1.00 32.55 C ATOM 2138 OE1 GLU B 55 3.127 15.024 -7.586 1.00 13.31 O ATOM 2139 OE2 GLU B 55 2.011 16.566 -6.529 1.00 5.20 O ATOM 0 H GLU B 55 1.808 10.776 -4.818 1.00 43.13 H new ATOM 0 HA GLU B 55 0.149 13.070 -4.020 1.00 14.33 H new ATOM 0 HB2 GLU B 55 1.606 12.714 -6.680 1.00 43.11 H new ATOM 0 HB3 GLU B 55 0.318 13.877 -6.434 1.00 43.11 H new ATOM 0 HG2 GLU B 55 1.784 14.928 -4.606 1.00 13.24 H new ATOM 0 HG3 GLU B 55 3.082 13.897 -5.176 1.00 13.24 H new ATOM 2146 N ARG B 56 -1.775 12.310 -5.632 1.00 5.42 N ATOM 2147 CA ARG B 56 -2.914 11.824 -6.435 1.00 12.21 C ATOM 2148 C ARG B 56 -3.071 12.720 -7.690 1.00 61.44 C ATOM 2149 O ARG B 56 -3.484 13.877 -7.587 1.00 23.02 O ATOM 2150 CB ARG B 56 -4.214 11.806 -5.576 1.00 5.22 C ATOM 2151 CG ARG B 56 -4.226 10.726 -4.466 1.00 24.14 C ATOM 2152 CD ARG B 56 -5.500 10.739 -3.591 1.00 35.33 C ATOM 2153 NE ARG B 56 -5.526 9.608 -2.629 1.00 73.14 N ATOM 2154 CZ ARG B 56 -6.417 9.431 -1.662 1.00 24.42 C ATOM 2155 NH1 ARG B 56 -7.374 10.290 -1.451 1.00 21.53 N ATOM 2156 NH2 ARG B 56 -6.344 8.378 -0.907 1.00 5.22 N ATOM 0 H ARG B 56 -1.946 13.218 -5.201 1.00 5.42 H new ATOM 0 HA ARG B 56 -2.727 10.801 -6.761 1.00 12.21 H new ATOM 0 HB2 ARG B 56 -4.346 12.785 -5.116 1.00 5.22 H new ATOM 0 HB3 ARG B 56 -5.068 11.645 -6.233 1.00 5.22 H new ATOM 0 HG2 ARG B 56 -4.125 9.744 -4.928 1.00 24.14 H new ATOM 0 HG3 ARG B 56 -3.356 10.868 -3.825 1.00 24.14 H new ATOM 0 HD2 ARG B 56 -5.555 11.681 -3.045 1.00 35.33 H new ATOM 0 HD3 ARG B 56 -6.380 10.690 -4.232 1.00 35.33 H new ATOM 0 HE ARG B 56 -4.793 8.904 -2.720 1.00 73.14 H new ATOM 0 HH11 ARG B 56 -7.451 11.122 -2.036 1.00 21.53 H new ATOM 0 HH12 ARG B 56 -8.046 10.130 -0.701 1.00 21.53 H new ATOM 0 HH21 ARG B 56 -5.605 7.692 -1.059 1.00 5.22 H new ATOM 0 HH22 ARG B 56 -7.026 8.236 -0.162 1.00 5.22 H new ATOM 2170 N LYS B 57 -2.697 12.178 -8.863 1.00 42.11 N ATOM 2171 CA LYS B 57 -2.744 12.888 -10.165 1.00 21.21 C ATOM 2172 C LYS B 57 -3.685 12.143 -11.145 1.00 3.25 C ATOM 2173 O LYS B 57 -3.413 11.000 -11.533 1.00 0.20 O ATOM 2174 CB LYS B 57 -1.314 13.046 -10.786 1.00 53.55 C ATOM 2175 CG LYS B 57 -0.458 11.740 -10.864 1.00 63.30 C ATOM 2176 CD LYS B 57 0.212 11.347 -9.517 1.00 32.41 C ATOM 2177 CE LYS B 57 1.544 12.073 -9.266 1.00 44.40 C ATOM 2178 NZ LYS B 57 1.463 13.550 -9.362 1.00 53.23 N ATOM 0 H LYS B 57 -2.348 11.223 -8.940 1.00 42.11 H new ATOM 0 HA LYS B 57 -3.137 13.889 -9.989 1.00 21.21 H new ATOM 0 HB2 LYS B 57 -1.418 13.450 -11.793 1.00 53.55 H new ATOM 0 HB3 LYS B 57 -0.764 13.784 -10.202 1.00 53.55 H new ATOM 0 HG2 LYS B 57 -1.094 10.919 -11.196 1.00 63.30 H new ATOM 0 HG3 LYS B 57 0.316 11.869 -11.620 1.00 63.30 H new ATOM 0 HD2 LYS B 57 -0.474 11.568 -8.700 1.00 32.41 H new ATOM 0 HD3 LYS B 57 0.385 10.271 -9.505 1.00 32.41 H new ATOM 0 HE2 LYS B 57 1.909 11.805 -8.275 1.00 44.40 H new ATOM 0 HE3 LYS B 57 2.281 11.714 -9.985 1.00 44.40 H new ATOM 0 HZ1 LYS B 57 2.329 13.971 -8.970 1.00 53.23 H new ATOM 0 HZ2 LYS B 57 1.363 13.828 -10.359 1.00 53.23 H new ATOM 0 HZ3 LYS B 57 0.640 13.888 -8.824 1.00 53.23 H new ATOM 2192 N ASN B 58 -4.800 12.810 -11.522 1.00 42.34 N ATOM 2193 CA ASN B 58 -5.874 12.250 -12.398 1.00 71.03 C ATOM 2194 C ASN B 58 -6.462 10.925 -11.820 1.00 24.12 C ATOM 2195 O ASN B 58 -6.936 10.055 -12.566 1.00 74.14 O ATOM 2196 CB ASN B 58 -5.352 12.050 -13.857 1.00 62.53 C ATOM 2197 CG ASN B 58 -4.710 13.317 -14.436 1.00 5.15 C ATOM 2198 OD1 ASN B 58 -5.383 14.170 -15.005 1.00 4.41 O ATOM 2199 ND2 ASN B 58 -3.402 13.443 -14.301 1.00 64.11 N ATOM 0 H ASN B 58 -4.989 13.768 -11.226 1.00 42.34 H new ATOM 0 HA ASN B 58 -6.687 12.975 -12.425 1.00 71.03 H new ATOM 0 HB2 ASN B 58 -4.623 11.240 -13.870 1.00 62.53 H new ATOM 0 HB3 ASN B 58 -6.180 11.743 -14.496 1.00 62.53 H new ATOM 0 HD21 ASN B 58 -2.928 14.265 -14.675 1.00 64.11 H new ATOM 0 HD22 ASN B 58 -2.866 12.718 -13.823 1.00 64.11 H new ATOM 2206 N GLY B 59 -6.456 10.813 -10.472 1.00 53.11 N ATOM 2207 CA GLY B 59 -6.932 9.618 -9.756 1.00 22.02 C ATOM 2208 C GLY B 59 -5.825 8.600 -9.418 1.00 62.52 C ATOM 2209 O GLY B 59 -5.954 7.826 -8.461 1.00 22.42 O ATOM 0 H GLY B 59 -6.120 11.552 -9.854 1.00 53.11 H new ATOM 0 HA2 GLY B 59 -7.416 9.931 -8.831 1.00 22.02 H new ATOM 0 HA3 GLY B 59 -7.692 9.124 -10.362 1.00 22.02 H new ATOM 2213 N LEU B 60 -4.730 8.611 -10.204 1.00 22.10 N ATOM 2214 CA LEU B 60 -3.631 7.611 -10.104 1.00 21.12 C ATOM 2215 C LEU B 60 -2.539 8.084 -9.120 1.00 34.10 C ATOM 2216 O LEU B 60 -2.417 9.279 -8.844 1.00 35.40 O ATOM 2217 CB LEU B 60 -3.003 7.334 -11.509 1.00 1.24 C ATOM 2218 CG LEU B 60 -3.872 6.509 -12.527 1.00 60.23 C ATOM 2219 CD1 LEU B 60 -5.160 7.242 -12.949 1.00 42.34 C ATOM 2220 CD2 LEU B 60 -3.039 6.106 -13.763 1.00 32.24 C ATOM 0 H LEU B 60 -4.576 9.312 -10.929 1.00 22.10 H new ATOM 0 HA LEU B 60 -4.060 6.684 -9.724 1.00 21.12 H new ATOM 0 HB2 LEU B 60 -2.762 8.293 -11.968 1.00 1.24 H new ATOM 0 HB3 LEU B 60 -2.061 6.806 -11.361 1.00 1.24 H new ATOM 0 HG LEU B 60 -4.185 5.605 -12.005 1.00 60.23 H new ATOM 0 HD11 LEU B 60 -5.717 6.623 -13.652 1.00 42.34 H new ATOM 0 HD12 LEU B 60 -5.774 7.435 -12.069 1.00 42.34 H new ATOM 0 HD13 LEU B 60 -4.901 8.188 -13.425 1.00 42.34 H new ATOM 0 HD21 LEU B 60 -3.663 5.536 -14.452 1.00 32.24 H new ATOM 0 HD22 LEU B 60 -2.672 7.003 -14.262 1.00 32.24 H new ATOM 0 HD23 LEU B 60 -2.194 5.494 -13.448 1.00 32.24 H new ATOM 2232 N ILE B 61 -1.742 7.135 -8.597 1.00 21.14 N ATOM 2233 CA ILE B 61 -0.613 7.442 -7.682 1.00 74.41 C ATOM 2234 C ILE B 61 0.732 7.249 -8.417 1.00 42.15 C ATOM 2235 O ILE B 61 0.941 6.216 -9.048 1.00 13.43 O ATOM 2236 CB ILE B 61 -0.614 6.514 -6.398 1.00 4.00 C ATOM 2237 CG1 ILE B 61 -2.037 6.396 -5.763 1.00 4.44 C ATOM 2238 CG2 ILE B 61 0.419 7.014 -5.345 1.00 71.00 C ATOM 2239 CD1 ILE B 61 -2.623 7.673 -5.218 1.00 35.32 C ATOM 0 H ILE B 61 -1.856 6.140 -8.791 1.00 21.14 H new ATOM 0 HA ILE B 61 -0.737 8.477 -7.364 1.00 74.41 H new ATOM 0 HB ILE B 61 -0.318 5.517 -6.724 1.00 4.00 H new ATOM 0 HG12 ILE B 61 -2.718 5.999 -6.516 1.00 4.44 H new ATOM 0 HG13 ILE B 61 -1.994 5.665 -4.955 1.00 4.44 H new ATOM 0 HG21 ILE B 61 0.397 6.359 -4.474 1.00 71.00 H new ATOM 0 HG22 ILE B 61 1.418 7.004 -5.782 1.00 71.00 H new ATOM 0 HG23 ILE B 61 0.166 8.030 -5.041 1.00 71.00 H new ATOM 0 HD11 ILE B 61 -3.611 7.472 -4.803 1.00 35.32 H new ATOM 0 HD12 ILE B 61 -1.974 8.067 -4.436 1.00 35.32 H new ATOM 0 HD13 ILE B 61 -2.709 8.405 -6.021 1.00 35.32 H new ATOM 2251 N GLU B 62 1.638 8.240 -8.320 1.00 34.13 N ATOM 2252 CA GLU B 62 3.055 8.094 -8.749 1.00 41.31 C ATOM 2253 C GLU B 62 3.951 8.388 -7.539 1.00 30.12 C ATOM 2254 O GLU B 62 3.709 9.352 -6.795 1.00 72.13 O ATOM 2255 CB GLU B 62 3.447 9.039 -9.920 1.00 33.45 C ATOM 2256 CG GLU B 62 2.656 8.839 -11.225 1.00 53.40 C ATOM 2257 CD GLU B 62 3.103 9.802 -12.346 1.00 41.13 C ATOM 2258 OE1 GLU B 62 2.996 11.032 -12.158 1.00 10.02 O ATOM 2259 OE2 GLU B 62 3.583 9.340 -13.407 1.00 41.55 O ATOM 0 H GLU B 62 1.417 9.162 -7.945 1.00 34.13 H new ATOM 0 HA GLU B 62 3.187 7.076 -9.116 1.00 41.31 H new ATOM 0 HB2 GLU B 62 3.317 10.070 -9.591 1.00 33.45 H new ATOM 0 HB3 GLU B 62 4.507 8.904 -10.134 1.00 33.45 H new ATOM 0 HG2 GLU B 62 2.778 7.811 -11.565 1.00 53.40 H new ATOM 0 HG3 GLU B 62 1.594 8.986 -11.028 1.00 53.40 H new ATOM 2266 N ILE B 63 4.977 7.556 -7.346 1.00 33.22 N ATOM 2267 CA ILE B 63 5.891 7.668 -6.207 1.00 73.41 C ATOM 2268 C ILE B 63 7.122 8.537 -6.589 1.00 14.31 C ATOM 2269 O ILE B 63 7.719 8.359 -7.663 1.00 12.12 O ATOM 2270 CB ILE B 63 6.309 6.230 -5.686 1.00 10.25 C ATOM 2271 CG1 ILE B 63 7.042 6.312 -4.318 1.00 64.33 C ATOM 2272 CG2 ILE B 63 7.141 5.444 -6.718 1.00 35.42 C ATOM 2273 CD1 ILE B 63 6.196 6.898 -3.217 1.00 1.43 C ATOM 0 H ILE B 63 5.198 6.785 -7.976 1.00 33.22 H new ATOM 0 HA ILE B 63 5.381 8.170 -5.385 1.00 73.41 H new ATOM 0 HB ILE B 63 5.383 5.673 -5.540 1.00 10.25 H new ATOM 0 HG12 ILE B 63 7.363 5.312 -4.026 1.00 64.33 H new ATOM 0 HG13 ILE B 63 7.943 6.915 -4.433 1.00 64.33 H new ATOM 0 HG21 ILE B 63 7.400 4.467 -6.309 1.00 35.42 H new ATOM 0 HG22 ILE B 63 6.559 5.313 -7.630 1.00 35.42 H new ATOM 0 HG23 ILE B 63 8.053 5.995 -6.946 1.00 35.42 H new ATOM 0 HD11 ILE B 63 6.771 6.925 -2.291 1.00 1.43 H new ATOM 0 HD12 ILE B 63 5.897 7.911 -3.488 1.00 1.43 H new ATOM 0 HD13 ILE B 63 5.307 6.283 -3.074 1.00 1.43 H new ATOM 2285 N TYR B 64 7.453 9.527 -5.730 1.00 30.35 N ATOM 2286 CA TYR B 64 8.618 10.431 -5.926 1.00 62.12 C ATOM 2287 C TYR B 64 9.653 10.254 -4.791 1.00 22.31 C ATOM 2288 O TYR B 64 9.372 9.635 -3.757 1.00 43.11 O ATOM 2289 CB TYR B 64 8.159 11.910 -6.022 1.00 2.03 C ATOM 2290 CG TYR B 64 7.166 12.196 -7.157 1.00 11.05 C ATOM 2291 CD1 TYR B 64 7.607 12.553 -8.437 1.00 13.32 C ATOM 2292 CD2 TYR B 64 5.787 12.110 -6.946 1.00 24.11 C ATOM 2293 CE1 TYR B 64 6.711 12.811 -9.456 1.00 73.34 C ATOM 2294 CE2 TYR B 64 4.893 12.364 -7.964 1.00 2.23 C ATOM 2295 CZ TYR B 64 5.355 12.714 -9.216 1.00 23.53 C ATOM 2296 OH TYR B 64 4.456 12.974 -10.228 1.00 1.11 O ATOM 0 H TYR B 64 6.923 9.725 -4.881 1.00 30.35 H new ATOM 0 HA TYR B 64 9.097 10.161 -6.867 1.00 62.12 H new ATOM 0 HB2 TYR B 64 7.702 12.197 -5.075 1.00 2.03 H new ATOM 0 HB3 TYR B 64 9.037 12.542 -6.157 1.00 2.03 H new ATOM 0 HD1 TYR B 64 8.667 12.628 -8.631 1.00 13.32 H new ATOM 0 HD2 TYR B 64 5.416 11.840 -5.969 1.00 24.11 H new ATOM 0 HE1 TYR B 64 7.070 13.087 -10.436 1.00 73.34 H new ATOM 0 HE2 TYR B 64 3.831 12.289 -7.782 1.00 2.23 H new ATOM 0 HH TYR B 64 4.269 12.147 -10.720 1.00 1.11 H new ATOM 2306 N ASN B 65 10.847 10.827 -5.000 1.00 41.15 N ATOM 2307 CA ASN B 65 12.026 10.583 -4.141 1.00 42.35 C ATOM 2308 C ASN B 65 12.103 11.546 -2.932 1.00 54.12 C ATOM 2309 O ASN B 65 12.262 12.752 -3.122 1.00 35.33 O ATOM 2310 CB ASN B 65 13.326 10.725 -4.982 1.00 52.34 C ATOM 2311 CG ASN B 65 13.324 9.894 -6.263 1.00 51.50 C ATOM 2312 OD1 ASN B 65 12.859 10.347 -7.298 1.00 25.51 O ATOM 2313 ND2 ASN B 65 13.861 8.702 -6.214 1.00 51.11 N ATOM 0 H ASN B 65 11.028 11.473 -5.768 1.00 41.15 H new ATOM 0 HA ASN B 65 11.924 9.571 -3.749 1.00 42.35 H new ATOM 0 HB2 ASN B 65 13.468 11.774 -5.241 1.00 52.34 H new ATOM 0 HB3 ASN B 65 14.178 10.430 -4.370 1.00 52.34 H new ATOM 0 HD21 ASN B 65 13.899 8.125 -7.054 1.00 51.11 H new ATOM 0 HD22 ASN B 65 14.241 8.350 -5.336 1.00 51.11 H new ATOM 2320 N GLU B 66 11.962 10.971 -1.709 1.00 72.21 N ATOM 2321 CA GLU B 66 12.451 11.527 -0.399 1.00 4.14 C ATOM 2322 C GLU B 66 12.364 13.082 -0.209 1.00 43.24 C ATOM 2323 O GLU B 66 11.437 13.718 -0.714 1.00 44.01 O ATOM 2324 CB GLU B 66 13.893 10.964 -0.139 1.00 62.41 C ATOM 2325 CG GLU B 66 14.964 11.402 -1.162 1.00 24.45 C ATOM 2326 CD GLU B 66 16.336 10.780 -0.893 1.00 42.53 C ATOM 2327 OE1 GLU B 66 17.094 11.328 -0.066 1.00 30.12 O ATOM 2328 OE2 GLU B 66 16.666 9.738 -1.508 1.00 3.03 O ATOM 0 H GLU B 66 11.489 10.075 -1.593 1.00 72.21 H new ATOM 0 HA GLU B 66 11.750 11.184 0.362 1.00 4.14 H new ATOM 0 HB2 GLU B 66 14.214 11.276 0.855 1.00 62.41 H new ATOM 0 HB3 GLU B 66 13.845 9.875 -0.131 1.00 62.41 H new ATOM 0 HG2 GLU B 66 14.636 11.126 -2.164 1.00 24.45 H new ATOM 0 HG3 GLU B 66 15.054 12.488 -1.144 1.00 24.45 H new