USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=19 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: A 50 ASN : amide:sc= -0.0989 K(o=0.15,f=-4.8!) USER MOD Set 1.2: B 3 LYS NZ :NH3+ 167:sc= 0.252 (180deg=-0.403) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-0.195) USER MOD Set 2.2: A 64 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.855 K(o=0.85,f=-2.2!) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0402) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.322 X(o=0.32,f=0.0048) USER MOD Single : A 24 SER OG : rot -9:sc= 0.0235 USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.0286) USER MOD Single : A 33 ASN : amide:sc= -0.0415 K(o=-0.041,f=-0.81) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0.147 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.385 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= -0.0468 (180deg=-1.86!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.013) USER MOD Single : B 4 LYS NZ :NH3+ -165:sc= -0.0386 (180deg=-0.268) USER MOD Single : B 9 ASN : amide:sc= 0.79 K(o=0.79,f=-6.1!) USER MOD Single : B 12 LYS NZ :NH3+ -170:sc=-0.00576 (180deg=-0.104) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : B 18 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.6!) USER MOD Single : B 24 SER OG : rot 180:sc= -0.0816 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= 0.135 USER MOD Single : B 39 THR OG1 : rot 76:sc= 0.459 USER MOD Single : B 50 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.9) USER MOD Single : B 51 LYS NZ :NH3+ 166:sc= -0.027 (180deg=-0.24) USER MOD Single : B 57 LYS NZ :NH3+ 172:sc=-0.00013 (180deg=-0.0871) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= 0.00398 K(o=0.004,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.051 13.984 5.724 1.00 41.03 N ATOM 55 CA LYS A 4 -2.266 13.824 6.566 1.00 34.34 C ATOM 56 C LYS A 4 -3.424 13.108 5.819 1.00 2.40 C ATOM 57 O LYS A 4 -4.304 12.519 6.460 1.00 25.10 O ATOM 58 CB LYS A 4 -2.745 15.207 7.081 1.00 12.44 C ATOM 59 CG LYS A 4 -1.674 16.021 7.852 1.00 52.21 C ATOM 60 CD LYS A 4 -1.055 15.253 9.051 1.00 32.44 C ATOM 61 CE LYS A 4 -2.080 14.897 10.142 1.00 74.12 C ATOM 62 NZ LYS A 4 -1.479 14.090 11.230 1.00 2.43 N ATOM 0 HA LYS A 4 -1.987 13.191 7.408 1.00 34.34 H new ATOM 0 HB2 LYS A 4 -3.087 15.797 6.231 1.00 12.44 H new ATOM 0 HB3 LYS A 4 -3.606 15.058 7.732 1.00 12.44 H new ATOM 0 HG2 LYS A 4 -0.879 16.304 7.163 1.00 52.21 H new ATOM 0 HG3 LYS A 4 -2.124 16.945 8.216 1.00 52.21 H new ATOM 0 HD2 LYS A 4 -0.591 14.337 8.686 1.00 32.44 H new ATOM 0 HD3 LYS A 4 -0.262 15.858 9.491 1.00 32.44 H new ATOM 0 HE2 LYS A 4 -2.498 15.813 10.559 1.00 74.12 H new ATOM 0 HE3 LYS A 4 -2.907 14.344 9.696 1.00 74.12 H new ATOM 0 HZ1 LYS A 4 -2.205 13.873 11.943 1.00 2.43 H new ATOM 0 HZ2 LYS A 4 -1.103 13.203 10.838 1.00 2.43 H new ATOM 0 HZ3 LYS A 4 -0.707 14.627 11.674 1.00 2.43 H new ATOM 76 N ILE A 5 -3.418 13.178 4.470 1.00 11.14 N ATOM 77 CA ILE A 5 -4.454 12.547 3.613 1.00 55.12 C ATOM 78 C ILE A 5 -4.487 11.010 3.800 1.00 30.10 C ATOM 79 O ILE A 5 -5.556 10.438 4.022 1.00 25.43 O ATOM 80 CB ILE A 5 -4.236 12.909 2.092 1.00 21.24 C ATOM 81 CG1 ILE A 5 -4.314 14.455 1.884 1.00 4.34 C ATOM 82 CG2 ILE A 5 -5.247 12.181 1.163 1.00 23.04 C ATOM 83 CD1 ILE A 5 -4.027 14.927 0.466 1.00 62.20 C ATOM 0 H ILE A 5 -2.698 13.672 3.942 1.00 11.14 H new ATOM 0 HA ILE A 5 -5.418 12.947 3.928 1.00 55.12 H new ATOM 0 HB ILE A 5 -3.240 12.562 1.816 1.00 21.24 H new ATOM 0 HG12 ILE A 5 -5.309 14.795 2.170 1.00 4.34 H new ATOM 0 HG13 ILE A 5 -3.606 14.934 2.561 1.00 4.34 H new ATOM 0 HG21 ILE A 5 -5.057 12.462 0.127 1.00 23.04 H new ATOM 0 HG22 ILE A 5 -5.131 11.103 1.273 1.00 23.04 H new ATOM 0 HG23 ILE A 5 -6.263 12.467 1.436 1.00 23.04 H new ATOM 0 HD11 ILE A 5 -4.105 16.013 0.421 1.00 62.20 H new ATOM 0 HD12 ILE A 5 -3.020 14.623 0.178 1.00 62.20 H new ATOM 0 HD13 ILE A 5 -4.750 14.483 -0.219 1.00 62.20 H new ATOM 95 N VAL A 6 -3.303 10.358 3.763 1.00 12.20 N ATOM 96 CA VAL A 6 -3.195 8.884 3.943 1.00 72.51 C ATOM 97 C VAL A 6 -3.713 8.446 5.333 1.00 61.30 C ATOM 98 O VAL A 6 -4.204 7.332 5.488 1.00 5.42 O ATOM 99 CB VAL A 6 -1.723 8.358 3.716 1.00 21.30 C ATOM 100 CG1 VAL A 6 -1.222 8.744 2.310 1.00 73.15 C ATOM 101 CG2 VAL A 6 -0.748 8.857 4.811 1.00 51.00 C ATOM 0 H VAL A 6 -2.408 10.824 3.611 1.00 12.20 H new ATOM 0 HA VAL A 6 -3.828 8.433 3.178 1.00 72.51 H new ATOM 0 HB VAL A 6 -1.750 7.271 3.790 1.00 21.30 H new ATOM 0 HG11 VAL A 6 -0.206 8.374 2.171 1.00 73.15 H new ATOM 0 HG12 VAL A 6 -1.875 8.303 1.557 1.00 73.15 H new ATOM 0 HG13 VAL A 6 -1.230 9.829 2.206 1.00 73.15 H new ATOM 0 HG21 VAL A 6 0.251 8.470 4.612 1.00 51.00 H new ATOM 0 HG22 VAL A 6 -0.722 9.947 4.806 1.00 51.00 H new ATOM 0 HG23 VAL A 6 -1.086 8.506 5.786 1.00 51.00 H new ATOM 111 N GLY A 7 -3.612 9.361 6.321 1.00 21.22 N ATOM 112 CA GLY A 7 -4.174 9.153 7.657 1.00 12.20 C ATOM 113 C GLY A 7 -5.701 9.165 7.684 1.00 74.42 C ATOM 114 O GLY A 7 -6.332 8.248 8.233 1.00 73.11 O ATOM 0 H GLY A 7 -3.139 10.258 6.208 1.00 21.22 H new ATOM 0 HA2 GLY A 7 -3.819 8.199 8.047 1.00 12.20 H new ATOM 0 HA3 GLY A 7 -3.801 9.929 8.325 1.00 12.20 H new ATOM 118 N ALA A 8 -6.288 10.205 7.067 1.00 74.13 N ATOM 119 CA ALA A 8 -7.754 10.385 6.978 1.00 73.31 C ATOM 120 C ALA A 8 -8.449 9.214 6.234 1.00 62.14 C ATOM 121 O ALA A 8 -9.510 8.742 6.654 1.00 30.10 O ATOM 122 CB ALA A 8 -8.064 11.722 6.292 1.00 64.21 C ATOM 0 H ALA A 8 -5.759 10.950 6.613 1.00 74.13 H new ATOM 0 HA ALA A 8 -8.153 10.391 7.992 1.00 73.31 H new ATOM 0 HB1 ALA A 8 -9.144 11.855 6.226 1.00 64.21 H new ATOM 0 HB2 ALA A 8 -7.632 12.537 6.872 1.00 64.21 H new ATOM 0 HB3 ALA A 8 -7.636 11.724 5.289 1.00 64.21 H new ATOM 128 N ASN A 9 -7.825 8.744 5.138 1.00 45.22 N ATOM 129 CA ASN A 9 -8.335 7.604 4.338 1.00 22.24 C ATOM 130 C ASN A 9 -8.102 6.243 5.038 1.00 53.24 C ATOM 131 O ASN A 9 -8.895 5.321 4.855 1.00 4.30 O ATOM 132 CB ASN A 9 -7.695 7.596 2.925 1.00 45.02 C ATOM 133 CG ASN A 9 -8.192 8.749 2.046 1.00 54.53 C ATOM 134 OD1 ASN A 9 -9.220 8.651 1.399 1.00 63.13 O ATOM 135 ND2 ASN A 9 -7.467 9.841 2.001 1.00 12.51 N ATOM 0 H ASN A 9 -6.956 9.139 4.779 1.00 45.22 H new ATOM 0 HA ASN A 9 -9.412 7.741 4.242 1.00 22.24 H new ATOM 0 HB2 ASN A 9 -6.611 7.658 3.021 1.00 45.02 H new ATOM 0 HB3 ASN A 9 -7.918 6.648 2.435 1.00 45.02 H new ATOM 0 HD21 ASN A 9 -7.761 10.625 1.418 1.00 12.51 H new ATOM 0 HD22 ASN A 9 -6.609 9.907 2.549 1.00 12.51 H new ATOM 142 N ALA A 10 -7.038 6.140 5.866 1.00 34.34 N ATOM 143 CA ALA A 10 -6.651 4.864 6.532 1.00 71.51 C ATOM 144 C ALA A 10 -7.690 4.406 7.579 1.00 43.01 C ATOM 145 O ALA A 10 -7.949 3.213 7.717 1.00 4.14 O ATOM 146 CB ALA A 10 -5.272 4.998 7.188 1.00 15.22 C ATOM 0 H ALA A 10 -6.427 6.925 6.093 1.00 34.34 H new ATOM 0 HA ALA A 10 -6.612 4.101 5.755 1.00 71.51 H new ATOM 0 HB1 ALA A 10 -5.005 4.057 7.670 1.00 15.22 H new ATOM 0 HB2 ALA A 10 -4.529 5.240 6.428 1.00 15.22 H new ATOM 0 HB3 ALA A 10 -5.300 5.792 7.934 1.00 15.22 H new ATOM 152 N GLY A 11 -8.280 5.377 8.302 1.00 5.21 N ATOM 153 CA GLY A 11 -9.326 5.090 9.301 1.00 10.34 C ATOM 154 C GLY A 11 -10.633 4.588 8.677 1.00 13.24 C ATOM 155 O GLY A 11 -11.333 3.748 9.259 1.00 72.02 O ATOM 0 H GLY A 11 -8.050 6.367 8.213 1.00 5.21 H new ATOM 0 HA2 GLY A 11 -8.955 4.343 10.002 1.00 10.34 H new ATOM 0 HA3 GLY A 11 -9.529 5.994 9.876 1.00 10.34 H new ATOM 159 N LYS A 12 -10.949 5.116 7.481 1.00 15.51 N ATOM 160 CA LYS A 12 -12.102 4.676 6.667 1.00 31.11 C ATOM 161 C LYS A 12 -11.889 3.225 6.155 1.00 3.45 C ATOM 162 O LYS A 12 -12.795 2.385 6.235 1.00 11.24 O ATOM 163 CB LYS A 12 -12.293 5.647 5.473 1.00 33.40 C ATOM 164 CG LYS A 12 -13.541 5.372 4.603 1.00 3.45 C ATOM 165 CD LYS A 12 -13.595 6.252 3.333 1.00 31.03 C ATOM 166 CE LYS A 12 -13.660 7.758 3.640 1.00 13.01 C ATOM 167 NZ LYS A 12 -14.865 8.116 4.435 1.00 43.24 N ATOM 0 H LYS A 12 -10.409 5.865 7.047 1.00 15.51 H new ATOM 0 HA LYS A 12 -12.998 4.688 7.287 1.00 31.11 H new ATOM 0 HB2 LYS A 12 -12.354 6.665 5.858 1.00 33.40 H new ATOM 0 HB3 LYS A 12 -11.408 5.598 4.839 1.00 33.40 H new ATOM 0 HG2 LYS A 12 -13.550 4.322 4.312 1.00 3.45 H new ATOM 0 HG3 LYS A 12 -14.438 5.546 5.198 1.00 3.45 H new ATOM 0 HD2 LYS A 12 -12.715 6.050 2.722 1.00 31.03 H new ATOM 0 HD3 LYS A 12 -14.466 5.971 2.741 1.00 31.03 H new ATOM 0 HE2 LYS A 12 -12.765 8.055 4.186 1.00 13.01 H new ATOM 0 HE3 LYS A 12 -13.664 8.318 2.705 1.00 13.01 H new ATOM 0 HZ1 LYS A 12 -14.913 9.149 4.546 1.00 43.24 H new ATOM 0 HZ2 LYS A 12 -15.718 7.781 3.943 1.00 43.24 H new ATOM 0 HZ3 LYS A 12 -14.808 7.669 5.372 1.00 43.24 H new ATOM 181 N VAL A 13 -10.670 2.959 5.637 1.00 11.02 N ATOM 182 CA VAL A 13 -10.241 1.614 5.178 1.00 53.22 C ATOM 183 C VAL A 13 -10.269 0.589 6.341 1.00 14.24 C ATOM 184 O VAL A 13 -10.725 -0.546 6.166 1.00 64.55 O ATOM 185 CB VAL A 13 -8.812 1.689 4.509 1.00 64.22 C ATOM 186 CG1 VAL A 13 -8.224 0.288 4.207 1.00 12.31 C ATOM 187 CG2 VAL A 13 -8.861 2.551 3.217 1.00 14.34 C ATOM 0 H VAL A 13 -9.950 3.673 5.524 1.00 11.02 H new ATOM 0 HA VAL A 13 -10.949 1.268 4.425 1.00 53.22 H new ATOM 0 HB VAL A 13 -8.146 2.164 5.230 1.00 64.22 H new ATOM 0 HG11 VAL A 13 -7.241 0.397 3.748 1.00 12.31 H new ATOM 0 HG12 VAL A 13 -8.130 -0.275 5.136 1.00 12.31 H new ATOM 0 HG13 VAL A 13 -8.886 -0.245 3.525 1.00 12.31 H new ATOM 0 HG21 VAL A 13 -7.868 2.592 2.769 1.00 14.34 H new ATOM 0 HG22 VAL A 13 -9.560 2.106 2.509 1.00 14.34 H new ATOM 0 HG23 VAL A 13 -9.189 3.560 3.465 1.00 14.34 H new ATOM 197 N TRP A 14 -9.819 1.035 7.533 1.00 74.54 N ATOM 198 CA TRP A 14 -9.828 0.207 8.761 1.00 71.24 C ATOM 199 C TRP A 14 -11.269 -0.132 9.190 1.00 63.02 C ATOM 200 O TRP A 14 -11.509 -1.214 9.703 1.00 72.34 O ATOM 201 CB TRP A 14 -9.077 0.897 9.935 1.00 71.33 C ATOM 202 CG TRP A 14 -8.826 -0.031 11.114 1.00 12.22 C ATOM 203 CD1 TRP A 14 -7.789 -0.910 11.268 1.00 62.03 C ATOM 204 CD2 TRP A 14 -9.653 -0.196 12.274 1.00 11.54 C ATOM 205 NE1 TRP A 14 -7.914 -1.585 12.457 1.00 35.40 N ATOM 206 CE2 TRP A 14 -9.052 -1.169 13.089 1.00 42.21 C ATOM 207 CE3 TRP A 14 -10.842 0.396 12.695 1.00 14.52 C ATOM 208 CZ2 TRP A 14 -9.601 -1.565 14.306 1.00 24.14 C ATOM 209 CZ3 TRP A 14 -11.392 0.007 13.901 1.00 62.41 C ATOM 210 CH2 TRP A 14 -10.771 -0.970 14.697 1.00 2.54 C ATOM 0 H TRP A 14 -9.441 1.972 7.673 1.00 74.54 H new ATOM 0 HA TRP A 14 -9.302 -0.717 8.520 1.00 71.24 H new ATOM 0 HB2 TRP A 14 -8.123 1.279 9.573 1.00 71.33 H new ATOM 0 HB3 TRP A 14 -9.657 1.756 10.274 1.00 71.33 H new ATOM 0 HD1 TRP A 14 -6.988 -1.052 10.557 1.00 62.03 H new ATOM 0 HE1 TRP A 14 -7.262 -2.285 12.812 1.00 35.40 H new ATOM 0 HE3 TRP A 14 -11.326 1.147 12.088 1.00 14.52 H new ATOM 0 HZ2 TRP A 14 -9.122 -2.314 14.919 1.00 24.14 H new ATOM 0 HZ3 TRP A 14 -12.313 0.461 14.237 1.00 62.41 H new ATOM 0 HH2 TRP A 14 -11.224 -1.257 15.634 1.00 2.54 H new ATOM 221 N HIS A 15 -12.210 0.812 8.991 1.00 15.54 N ATOM 222 CA HIS A 15 -13.647 0.589 9.287 1.00 25.50 C ATOM 223 C HIS A 15 -14.236 -0.542 8.399 1.00 24.51 C ATOM 224 O HIS A 15 -14.932 -1.428 8.899 1.00 3.43 O ATOM 225 CB HIS A 15 -14.444 1.905 9.108 1.00 5.54 C ATOM 226 CG HIS A 15 -15.930 1.759 9.321 1.00 61.23 C ATOM 227 ND1 HIS A 15 -16.484 1.395 10.530 1.00 34.35 N ATOM 228 CD2 HIS A 15 -16.974 1.896 8.467 1.00 1.30 C ATOM 229 CE1 HIS A 15 -17.789 1.314 10.410 1.00 53.00 C ATOM 230 NE2 HIS A 15 -18.113 1.613 9.173 1.00 21.21 N ATOM 0 H HIS A 15 -12.003 1.741 8.625 1.00 15.54 H new ATOM 0 HA HIS A 15 -13.735 0.270 10.326 1.00 25.50 H new ATOM 0 HB2 HIS A 15 -14.059 2.648 9.806 1.00 5.54 H new ATOM 0 HB3 HIS A 15 -14.268 2.290 8.104 1.00 5.54 H new ATOM 0 HD2 HIS A 15 -16.918 2.176 7.425 1.00 1.30 H new ATOM 0 HE1 HIS A 15 -18.480 1.047 11.196 1.00 53.00 H new ATOM 0 HE2 HIS A 15 -19.061 1.632 8.798 1.00 21.21 H new ATOM 239 N ALA A 16 -13.915 -0.514 7.094 1.00 21.12 N ATOM 240 CA ALA A 16 -14.346 -1.561 6.129 1.00 14.02 C ATOM 241 C ALA A 16 -13.661 -2.921 6.430 1.00 33.34 C ATOM 242 O ALA A 16 -14.227 -3.993 6.201 1.00 14.14 O ATOM 243 CB ALA A 16 -14.028 -1.097 4.705 1.00 1.24 C ATOM 0 H ALA A 16 -13.354 0.226 6.673 1.00 21.12 H new ATOM 0 HA ALA A 16 -15.421 -1.711 6.229 1.00 14.02 H new ATOM 0 HB1 ALA A 16 -14.342 -1.862 3.994 1.00 1.24 H new ATOM 0 HB2 ALA A 16 -14.560 -0.168 4.498 1.00 1.24 H new ATOM 0 HB3 ALA A 16 -12.955 -0.930 4.608 1.00 1.24 H new ATOM 249 N LEU A 17 -12.427 -2.826 6.933 1.00 4.20 N ATOM 250 CA LEU A 17 -11.616 -3.968 7.408 1.00 43.00 C ATOM 251 C LEU A 17 -12.155 -4.504 8.774 1.00 24.32 C ATOM 252 O LEU A 17 -12.050 -5.697 9.070 1.00 55.10 O ATOM 253 CB LEU A 17 -10.130 -3.459 7.471 1.00 30.13 C ATOM 254 CG LEU A 17 -8.980 -4.408 7.947 1.00 51.35 C ATOM 255 CD1 LEU A 17 -8.901 -4.495 9.484 1.00 42.30 C ATOM 256 CD2 LEU A 17 -9.072 -5.798 7.280 1.00 74.51 C ATOM 0 H LEU A 17 -11.945 -1.932 7.027 1.00 4.20 H new ATOM 0 HA LEU A 17 -11.675 -4.823 6.735 1.00 43.00 H new ATOM 0 HB2 LEU A 17 -9.867 -3.113 6.472 1.00 30.13 H new ATOM 0 HB3 LEU A 17 -10.117 -2.587 8.124 1.00 30.13 H new ATOM 0 HG LEU A 17 -8.040 -3.965 7.617 1.00 51.35 H new ATOM 0 HD11 LEU A 17 -8.089 -5.164 9.769 1.00 42.30 H new ATOM 0 HD12 LEU A 17 -8.715 -3.503 9.896 1.00 42.30 H new ATOM 0 HD13 LEU A 17 -9.843 -4.880 9.876 1.00 42.30 H new ATOM 0 HD21 LEU A 17 -8.256 -6.427 7.636 1.00 74.51 H new ATOM 0 HD22 LEU A 17 -10.025 -6.261 7.534 1.00 74.51 H new ATOM 0 HD23 LEU A 17 -8.999 -5.688 6.198 1.00 74.51 H new ATOM 268 N ASN A 18 -12.749 -3.609 9.582 1.00 21.11 N ATOM 269 CA ASN A 18 -13.246 -3.924 10.946 1.00 22.34 C ATOM 270 C ASN A 18 -14.559 -4.737 10.899 1.00 70.13 C ATOM 271 O ASN A 18 -14.684 -5.753 11.591 1.00 63.22 O ATOM 272 CB ASN A 18 -13.450 -2.609 11.755 1.00 40.31 C ATOM 273 CG ASN A 18 -13.982 -2.833 13.174 1.00 21.11 C ATOM 274 OD1 ASN A 18 -13.222 -3.057 14.108 1.00 4.13 O ATOM 275 ND2 ASN A 18 -15.289 -2.766 13.349 1.00 32.21 N ATOM 0 H ASN A 18 -12.902 -2.638 9.311 1.00 21.11 H new ATOM 0 HA ASN A 18 -12.496 -4.539 11.444 1.00 22.34 H new ATOM 0 HB2 ASN A 18 -12.500 -2.078 11.813 1.00 40.31 H new ATOM 0 HB3 ASN A 18 -14.143 -1.965 11.214 1.00 40.31 H new ATOM 0 HD21 ASN A 18 -15.687 -2.902 14.278 1.00 32.21 H new ATOM 0 HD22 ASN A 18 -15.901 -2.578 12.555 1.00 32.21 H new ATOM 282 N GLU A 19 -15.520 -4.287 10.064 1.00 10.32 N ATOM 283 CA GLU A 19 -16.870 -4.910 9.965 1.00 43.40 C ATOM 284 C GLU A 19 -16.786 -6.391 9.509 1.00 45.35 C ATOM 285 O GLU A 19 -17.599 -7.229 9.921 1.00 43.23 O ATOM 286 CB GLU A 19 -17.767 -4.101 8.987 1.00 23.23 C ATOM 287 CG GLU A 19 -17.893 -2.587 9.290 1.00 71.51 C ATOM 288 CD GLU A 19 -18.409 -2.274 10.705 1.00 4.53 C ATOM 289 OE1 GLU A 19 -19.629 -2.429 10.948 1.00 15.11 O ATOM 290 OE2 GLU A 19 -17.608 -1.867 11.580 1.00 34.13 O ATOM 0 H GLU A 19 -15.390 -3.489 9.442 1.00 10.32 H new ATOM 0 HA GLU A 19 -17.315 -4.892 10.960 1.00 43.40 H new ATOM 0 HB2 GLU A 19 -17.372 -4.220 7.978 1.00 23.23 H new ATOM 0 HB3 GLU A 19 -18.765 -4.538 8.992 1.00 23.23 H new ATOM 0 HG2 GLU A 19 -16.918 -2.118 9.158 1.00 71.51 H new ATOM 0 HG3 GLU A 19 -18.566 -2.136 8.561 1.00 71.51 H new ATOM 297 N ALA A 20 -15.784 -6.682 8.657 1.00 54.54 N ATOM 298 CA ALA A 20 -15.459 -8.045 8.191 1.00 74.45 C ATOM 299 C ALA A 20 -14.055 -8.049 7.543 1.00 43.03 C ATOM 300 O ALA A 20 -13.853 -7.426 6.491 1.00 4.10 O ATOM 301 CB ALA A 20 -16.524 -8.565 7.204 1.00 10.05 C ATOM 0 H ALA A 20 -15.169 -5.968 8.268 1.00 54.54 H new ATOM 0 HA ALA A 20 -15.456 -8.718 9.049 1.00 74.45 H new ATOM 0 HB1 ALA A 20 -16.258 -9.571 6.878 1.00 10.05 H new ATOM 0 HB2 ALA A 20 -17.496 -8.589 7.697 1.00 10.05 H new ATOM 0 HB3 ALA A 20 -16.572 -7.904 6.339 1.00 10.05 H new ATOM 307 N ASP A 21 -13.084 -8.727 8.186 1.00 21.00 N ATOM 308 CA ASP A 21 -11.679 -8.780 7.713 1.00 51.23 C ATOM 309 C ASP A 21 -11.404 -10.022 6.829 1.00 72.25 C ATOM 310 O ASP A 21 -12.288 -10.874 6.638 1.00 13.23 O ATOM 311 CB ASP A 21 -10.721 -8.735 8.923 1.00 15.45 C ATOM 312 CG ASP A 21 -10.675 -10.036 9.733 1.00 3.03 C ATOM 313 OD1 ASP A 21 -11.697 -10.404 10.350 1.00 4.12 O ATOM 314 OD2 ASP A 21 -9.617 -10.702 9.745 1.00 4.15 O ATOM 0 H ASP A 21 -13.246 -9.253 9.045 1.00 21.00 H new ATOM 0 HA ASP A 21 -11.502 -7.908 7.083 1.00 51.23 H new ATOM 0 HB2 ASP A 21 -9.716 -8.504 8.569 1.00 15.45 H new ATOM 0 HB3 ASP A 21 -11.022 -7.920 9.581 1.00 15.45 H new ATOM 319 N GLY A 22 -10.156 -10.138 6.323 1.00 44.41 N ATOM 320 CA GLY A 22 -9.839 -11.109 5.268 1.00 23.12 C ATOM 321 C GLY A 22 -10.512 -10.712 3.954 1.00 5.54 C ATOM 322 O GLY A 22 -11.018 -11.558 3.211 1.00 45.51 O ATOM 0 H GLY A 22 -9.363 -9.574 6.629 1.00 44.41 H new ATOM 0 HA2 GLY A 22 -8.759 -11.163 5.128 1.00 23.12 H new ATOM 0 HA3 GLY A 22 -10.172 -12.103 5.568 1.00 23.12 H new ATOM 326 N ILE A 23 -10.506 -9.392 3.690 1.00 73.41 N ATOM 327 CA ILE A 23 -11.276 -8.756 2.605 1.00 22.22 C ATOM 328 C ILE A 23 -10.311 -8.165 1.544 1.00 3.25 C ATOM 329 O ILE A 23 -9.560 -7.237 1.830 1.00 52.23 O ATOM 330 CB ILE A 23 -12.249 -7.654 3.208 1.00 32.30 C ATOM 331 CG1 ILE A 23 -13.120 -6.991 2.096 1.00 75.01 C ATOM 332 CG2 ILE A 23 -11.503 -6.592 4.066 1.00 71.21 C ATOM 333 CD1 ILE A 23 -14.069 -7.944 1.396 1.00 62.44 C ATOM 0 H ILE A 23 -9.957 -8.727 4.234 1.00 73.41 H new ATOM 0 HA ILE A 23 -11.893 -9.502 2.105 1.00 22.22 H new ATOM 0 HB ILE A 23 -12.921 -8.176 3.889 1.00 32.30 H new ATOM 0 HG12 ILE A 23 -13.699 -6.181 2.539 1.00 75.01 H new ATOM 0 HG13 ILE A 23 -12.460 -6.543 1.353 1.00 75.01 H new ATOM 0 HG21 ILE A 23 -12.220 -5.866 4.451 1.00 71.21 H new ATOM 0 HG22 ILE A 23 -11.002 -7.084 4.900 1.00 71.21 H new ATOM 0 HG23 ILE A 23 -10.764 -6.080 3.450 1.00 71.21 H new ATOM 0 HD11 ILE A 23 -14.636 -7.402 0.639 1.00 62.44 H new ATOM 0 HD12 ILE A 23 -13.498 -8.742 0.921 1.00 62.44 H new ATOM 0 HD13 ILE A 23 -14.756 -8.374 2.125 1.00 62.44 H new ATOM 345 N SER A 24 -10.338 -8.726 0.312 1.00 62.25 N ATOM 346 CA SER A 24 -9.345 -8.408 -0.753 1.00 60.04 C ATOM 347 C SER A 24 -9.323 -6.909 -1.114 1.00 33.12 C ATOM 348 O SER A 24 -10.370 -6.250 -1.116 1.00 33.31 O ATOM 349 CB SER A 24 -9.601 -9.266 -2.012 1.00 43.03 C ATOM 350 OG SER A 24 -9.506 -10.654 -1.720 1.00 23.00 O ATOM 0 H SER A 24 -11.041 -9.407 0.025 1.00 62.25 H new ATOM 0 HA SER A 24 -8.362 -8.653 -0.351 1.00 60.04 H new ATOM 0 HB2 SER A 24 -10.590 -9.043 -2.411 1.00 43.03 H new ATOM 0 HB3 SER A 24 -8.879 -9.005 -2.786 1.00 43.03 H new ATOM 0 HG SER A 24 -9.160 -10.774 -0.811 1.00 23.00 H new ATOM 356 N ILE A 25 -8.113 -6.402 -1.438 1.00 3.10 N ATOM 357 CA ILE A 25 -7.841 -4.956 -1.620 1.00 2.34 C ATOM 358 C ILE A 25 -8.774 -4.262 -2.678 1.00 12.02 C ATOM 359 O ILE A 25 -9.318 -3.189 -2.377 1.00 24.51 O ATOM 360 CB ILE A 25 -6.316 -4.689 -1.934 1.00 63.41 C ATOM 361 CG1 ILE A 25 -5.418 -5.294 -0.800 1.00 44.53 C ATOM 362 CG2 ILE A 25 -6.035 -3.180 -2.127 1.00 33.14 C ATOM 363 CD1 ILE A 25 -3.913 -5.126 -0.995 1.00 60.21 C ATOM 0 H ILE A 25 -7.291 -6.988 -1.582 1.00 3.10 H new ATOM 0 HA ILE A 25 -8.081 -4.490 -0.664 1.00 2.34 H new ATOM 0 HB ILE A 25 -6.068 -5.184 -2.873 1.00 63.41 H new ATOM 0 HG12 ILE A 25 -5.698 -4.832 0.147 1.00 44.53 H new ATOM 0 HG13 ILE A 25 -5.639 -6.358 -0.714 1.00 44.53 H new ATOM 0 HG21 ILE A 25 -4.977 -3.031 -2.341 1.00 33.14 H new ATOM 0 HG22 ILE A 25 -6.630 -2.802 -2.958 1.00 33.14 H new ATOM 0 HG23 ILE A 25 -6.300 -2.641 -1.217 1.00 33.14 H new ATOM 0 HD11 ILE A 25 -3.385 -5.579 -0.156 1.00 60.21 H new ATOM 0 HD12 ILE A 25 -3.609 -5.614 -1.921 1.00 60.21 H new ATOM 0 HD13 ILE A 25 -3.669 -4.065 -1.047 1.00 60.21 H new ATOM 375 N PRO A 26 -9.015 -4.848 -3.914 1.00 21.23 N ATOM 376 CA PRO A 26 -10.002 -4.279 -4.874 1.00 32.25 C ATOM 377 C PRO A 26 -11.470 -4.276 -4.353 1.00 54.43 C ATOM 378 O PRO A 26 -12.267 -3.451 -4.788 1.00 63.21 O ATOM 379 CB PRO A 26 -9.846 -5.171 -6.144 1.00 55.31 C ATOM 380 CG PRO A 26 -9.234 -6.442 -5.643 1.00 65.33 C ATOM 381 CD PRO A 26 -8.323 -6.030 -4.508 1.00 23.54 C ATOM 0 HA PRO A 26 -9.802 -3.223 -5.057 1.00 32.25 H new ATOM 0 HB2 PRO A 26 -10.810 -5.356 -6.619 1.00 55.31 H new ATOM 0 HB3 PRO A 26 -9.210 -4.692 -6.889 1.00 55.31 H new ATOM 0 HG2 PRO A 26 -10.000 -7.138 -5.299 1.00 65.33 H new ATOM 0 HG3 PRO A 26 -8.676 -6.946 -6.431 1.00 65.33 H new ATOM 0 HD2 PRO A 26 -8.202 -6.832 -3.780 1.00 23.54 H new ATOM 0 HD3 PRO A 26 -7.326 -5.773 -4.867 1.00 23.54 H new ATOM 389 N GLU A 27 -11.814 -5.184 -3.414 1.00 61.34 N ATOM 390 CA GLU A 27 -13.203 -5.320 -2.902 1.00 32.15 C ATOM 391 C GLU A 27 -13.562 -4.253 -1.827 1.00 64.44 C ATOM 392 O GLU A 27 -14.563 -3.537 -1.982 1.00 60.31 O ATOM 393 CB GLU A 27 -13.435 -6.747 -2.349 1.00 41.53 C ATOM 394 CG GLU A 27 -14.888 -7.053 -1.923 1.00 24.14 C ATOM 395 CD GLU A 27 -15.906 -6.976 -3.074 1.00 51.04 C ATOM 396 OE1 GLU A 27 -16.096 -7.988 -3.776 1.00 41.12 O ATOM 397 OE2 GLU A 27 -16.520 -5.905 -3.287 1.00 12.35 O ATOM 0 H GLU A 27 -11.152 -5.835 -2.993 1.00 61.34 H new ATOM 0 HA GLU A 27 -13.869 -5.146 -3.747 1.00 32.15 H new ATOM 0 HB2 GLU A 27 -13.136 -7.468 -3.109 1.00 41.53 H new ATOM 0 HB3 GLU A 27 -12.781 -6.899 -1.490 1.00 41.53 H new ATOM 0 HG2 GLU A 27 -14.925 -8.050 -1.485 1.00 24.14 H new ATOM 0 HG3 GLU A 27 -15.183 -6.351 -1.143 1.00 24.14 H new ATOM 404 N LEU A 28 -12.763 -4.145 -0.726 1.00 65.34 N ATOM 405 CA LEU A 28 -13.034 -3.129 0.342 1.00 63.00 C ATOM 406 C LEU A 28 -12.832 -1.693 -0.184 1.00 34.11 C ATOM 407 O LEU A 28 -13.404 -0.744 0.365 1.00 51.23 O ATOM 408 CB LEU A 28 -12.277 -3.367 1.686 1.00 42.32 C ATOM 409 CG LEU A 28 -10.789 -2.910 1.801 1.00 42.10 C ATOM 410 CD1 LEU A 28 -10.365 -2.796 3.280 1.00 43.13 C ATOM 411 CD2 LEU A 28 -9.852 -3.853 1.039 1.00 24.34 C ATOM 0 H LEU A 28 -11.946 -4.731 -0.554 1.00 65.34 H new ATOM 0 HA LEU A 28 -14.086 -3.262 0.596 1.00 63.00 H new ATOM 0 HB2 LEU A 28 -12.838 -2.866 2.474 1.00 42.32 H new ATOM 0 HB3 LEU A 28 -12.312 -4.435 1.900 1.00 42.32 H new ATOM 0 HG LEU A 28 -10.710 -1.924 1.343 1.00 42.10 H new ATOM 0 HD11 LEU A 28 -9.325 -2.476 3.337 1.00 43.13 H new ATOM 0 HD12 LEU A 28 -10.997 -2.065 3.784 1.00 43.13 H new ATOM 0 HD13 LEU A 28 -10.473 -3.766 3.765 1.00 43.13 H new ATOM 0 HD21 LEU A 28 -8.824 -3.505 1.140 1.00 24.34 H new ATOM 0 HD22 LEU A 28 -9.936 -4.859 1.449 1.00 24.34 H new ATOM 0 HD23 LEU A 28 -10.128 -3.867 -0.015 1.00 24.34 H new ATOM 423 N ALA A 29 -11.974 -1.549 -1.222 1.00 61.34 N ATOM 424 CA ALA A 29 -11.823 -0.293 -1.999 1.00 73.42 C ATOM 425 C ALA A 29 -13.190 0.308 -2.448 1.00 32.15 C ATOM 426 O ALA A 29 -13.360 1.525 -2.464 1.00 71.34 O ATOM 427 CB ALA A 29 -10.924 -0.534 -3.222 1.00 34.53 C ATOM 0 H ALA A 29 -11.366 -2.301 -1.545 1.00 61.34 H new ATOM 0 HA ALA A 29 -11.358 0.437 -1.337 1.00 73.42 H new ATOM 0 HB1 ALA A 29 -10.820 0.393 -3.785 1.00 34.53 H new ATOM 0 HB2 ALA A 29 -9.941 -0.870 -2.891 1.00 34.53 H new ATOM 0 HB3 ALA A 29 -11.373 -1.297 -3.859 1.00 34.53 H new ATOM 433 N ARG A 30 -14.151 -0.561 -2.814 1.00 74.14 N ATOM 434 CA ARG A 30 -15.531 -0.145 -3.184 1.00 44.12 C ATOM 435 C ARG A 30 -16.365 0.266 -1.943 1.00 41.44 C ATOM 436 O ARG A 30 -17.188 1.185 -2.029 1.00 14.21 O ATOM 437 CB ARG A 30 -16.250 -1.273 -3.987 1.00 42.34 C ATOM 438 CG ARG A 30 -15.939 -1.304 -5.506 1.00 20.35 C ATOM 439 CD ARG A 30 -14.443 -1.437 -5.830 1.00 13.51 C ATOM 440 NE ARG A 30 -14.200 -1.523 -7.279 1.00 41.34 N ATOM 441 CZ ARG A 30 -13.677 -0.580 -8.032 1.00 74.21 C ATOM 442 NH1 ARG A 30 -13.290 0.557 -7.536 1.00 11.43 N ATOM 443 NH2 ARG A 30 -13.548 -0.787 -9.296 1.00 32.45 N ATOM 0 H ARG A 30 -14.001 -1.569 -2.864 1.00 74.14 H new ATOM 0 HA ARG A 30 -15.446 0.735 -3.822 1.00 44.12 H new ATOM 0 HB2 ARG A 30 -15.974 -2.236 -3.556 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -17.326 -1.161 -3.855 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.475 -2.137 -5.960 1.00 20.35 H new ATOM 0 HG3 ARG A 30 -16.321 -0.392 -5.964 1.00 20.35 H new ATOM 0 HD2 ARG A 30 -13.906 -0.581 -5.422 1.00 13.51 H new ATOM 0 HD3 ARG A 30 -14.044 -2.326 -5.342 1.00 13.51 H new ATOM 0 HE ARG A 30 -14.461 -2.394 -7.742 1.00 41.34 H new ATOM 0 HH11 ARG A 30 -13.388 0.737 -6.537 1.00 11.43 H new ATOM 0 HH12 ARG A 30 -12.888 1.269 -8.146 1.00 11.43 H new ATOM 0 HH21 ARG A 30 -13.850 -1.673 -9.701 1.00 32.45 H new ATOM 0 HH22 ARG A 30 -13.144 -0.065 -9.892 1.00 32.45 H new ATOM 457 N LYS A 31 -16.143 -0.412 -0.796 1.00 50.45 N ATOM 458 CA LYS A 31 -16.840 -0.088 0.482 1.00 32.23 C ATOM 459 C LYS A 31 -16.413 1.302 1.027 1.00 24.05 C ATOM 460 O LYS A 31 -17.200 1.994 1.686 1.00 4.05 O ATOM 461 CB LYS A 31 -16.585 -1.195 1.551 1.00 62.35 C ATOM 462 CG LYS A 31 -17.085 -2.604 1.140 1.00 52.14 C ATOM 463 CD LYS A 31 -17.094 -3.630 2.305 1.00 43.54 C ATOM 464 CE LYS A 31 -15.698 -3.955 2.861 1.00 3.23 C ATOM 465 NZ LYS A 31 -15.762 -4.860 4.036 1.00 62.42 N ATOM 0 H LYS A 31 -15.487 -1.189 -0.722 1.00 50.45 H new ATOM 0 HA LYS A 31 -17.909 -0.050 0.270 1.00 32.23 H new ATOM 0 HB2 LYS A 31 -15.516 -1.247 1.756 1.00 62.35 H new ATOM 0 HB3 LYS A 31 -17.074 -0.905 2.481 1.00 62.35 H new ATOM 0 HG2 LYS A 31 -18.094 -2.518 0.736 1.00 52.14 H new ATOM 0 HG3 LYS A 31 -16.452 -2.984 0.338 1.00 52.14 H new ATOM 0 HD2 LYS A 31 -17.715 -3.242 3.113 1.00 43.54 H new ATOM 0 HD3 LYS A 31 -17.560 -4.553 1.960 1.00 43.54 H new ATOM 0 HE2 LYS A 31 -15.096 -4.418 2.079 1.00 3.23 H new ATOM 0 HE3 LYS A 31 -15.196 -3.030 3.144 1.00 3.23 H new ATOM 0 HZ1 LYS A 31 -15.030 -4.589 4.723 1.00 62.42 H new ATOM 0 HZ2 LYS A 31 -16.699 -4.786 4.481 1.00 62.42 H new ATOM 0 HZ3 LYS A 31 -15.602 -5.840 3.728 1.00 62.42 H new ATOM 479 N VAL A 32 -15.154 1.690 0.749 1.00 25.32 N ATOM 480 CA VAL A 32 -14.596 3.015 1.129 1.00 25.21 C ATOM 481 C VAL A 32 -14.647 4.036 -0.042 1.00 10.51 C ATOM 482 O VAL A 32 -14.367 5.224 0.159 1.00 11.45 O ATOM 483 CB VAL A 32 -13.122 2.859 1.657 1.00 4.22 C ATOM 484 CG1 VAL A 32 -13.083 1.908 2.870 1.00 14.43 C ATOM 485 CG2 VAL A 32 -12.150 2.380 0.554 1.00 14.01 C ATOM 0 H VAL A 32 -14.488 1.097 0.254 1.00 25.32 H new ATOM 0 HA VAL A 32 -15.223 3.410 1.928 1.00 25.21 H new ATOM 0 HB VAL A 32 -12.784 3.847 1.970 1.00 4.22 H new ATOM 0 HG11 VAL A 32 -12.056 1.811 3.223 1.00 14.43 H new ATOM 0 HG12 VAL A 32 -13.705 2.312 3.669 1.00 14.43 H new ATOM 0 HG13 VAL A 32 -13.460 0.928 2.577 1.00 14.43 H new ATOM 0 HG21 VAL A 32 -11.146 2.288 0.969 1.00 14.01 H new ATOM 0 HG22 VAL A 32 -12.477 1.411 0.177 1.00 14.01 H new ATOM 0 HG23 VAL A 32 -12.141 3.103 -0.262 1.00 14.01 H new ATOM 495 N ASN A 33 -14.988 3.543 -1.260 1.00 70.31 N ATOM 496 CA ASN A 33 -15.135 4.350 -2.509 1.00 24.22 C ATOM 497 C ASN A 33 -13.776 4.988 -2.965 1.00 14.41 C ATOM 498 O ASN A 33 -13.739 6.031 -3.634 1.00 35.13 O ATOM 499 CB ASN A 33 -16.279 5.409 -2.351 1.00 53.45 C ATOM 500 CG ASN A 33 -16.774 6.007 -3.678 1.00 73.42 C ATOM 501 OD1 ASN A 33 -16.721 5.367 -4.726 1.00 51.02 O ATOM 502 ND2 ASN A 33 -17.256 7.232 -3.649 1.00 71.40 N ATOM 0 H ASN A 33 -15.174 2.551 -1.409 1.00 70.31 H new ATOM 0 HA ASN A 33 -15.427 3.675 -3.313 1.00 24.22 H new ATOM 0 HB2 ASN A 33 -17.121 4.943 -1.839 1.00 53.45 H new ATOM 0 HB3 ASN A 33 -15.924 6.217 -1.711 1.00 53.45 H new ATOM 0 HD21 ASN A 33 -17.594 7.667 -4.507 1.00 71.40 H new ATOM 0 HD22 ASN A 33 -17.291 7.746 -2.768 1.00 71.40 H new ATOM 509 N LEU A 34 -12.660 4.322 -2.614 1.00 53.34 N ATOM 510 CA LEU A 34 -11.292 4.713 -3.044 1.00 4.21 C ATOM 511 C LEU A 34 -10.753 3.756 -4.130 1.00 44.35 C ATOM 512 O LEU A 34 -11.289 2.665 -4.341 1.00 51.54 O ATOM 513 CB LEU A 34 -10.330 4.713 -1.821 1.00 12.12 C ATOM 514 CG LEU A 34 -10.708 5.689 -0.663 1.00 50.12 C ATOM 515 CD1 LEU A 34 -9.791 5.482 0.565 1.00 31.21 C ATOM 516 CD2 LEU A 34 -10.685 7.153 -1.156 1.00 61.00 C ATOM 0 H LEU A 34 -12.675 3.492 -2.021 1.00 53.34 H new ATOM 0 HA LEU A 34 -11.345 5.716 -3.467 1.00 4.21 H new ATOM 0 HB2 LEU A 34 -10.284 3.701 -1.418 1.00 12.12 H new ATOM 0 HB3 LEU A 34 -9.328 4.963 -2.170 1.00 12.12 H new ATOM 0 HG LEU A 34 -11.725 5.463 -0.343 1.00 50.12 H new ATOM 0 HD11 LEU A 34 -10.079 6.176 1.355 1.00 31.21 H new ATOM 0 HD12 LEU A 34 -9.892 4.459 0.926 1.00 31.21 H new ATOM 0 HD13 LEU A 34 -8.755 5.665 0.280 1.00 31.21 H new ATOM 0 HD21 LEU A 34 -10.951 7.818 -0.334 1.00 61.00 H new ATOM 0 HD22 LEU A 34 -9.686 7.401 -1.514 1.00 61.00 H new ATOM 0 HD23 LEU A 34 -11.402 7.275 -1.968 1.00 61.00 H new ATOM 528 N SER A 35 -9.677 4.185 -4.811 1.00 14.32 N ATOM 529 CA SER A 35 -8.939 3.338 -5.776 1.00 42.13 C ATOM 530 C SER A 35 -8.262 2.138 -5.064 1.00 32.12 C ATOM 531 O SER A 35 -7.938 2.227 -3.874 1.00 41.13 O ATOM 532 CB SER A 35 -7.871 4.189 -6.509 1.00 10.13 C ATOM 533 OG SER A 35 -8.440 5.326 -7.145 1.00 3.52 O ATOM 0 H SER A 35 -9.292 5.124 -4.712 1.00 14.32 H new ATOM 0 HA SER A 35 -9.652 2.944 -6.500 1.00 42.13 H new ATOM 0 HB2 SER A 35 -7.114 4.514 -5.795 1.00 10.13 H new ATOM 0 HB3 SER A 35 -7.365 3.573 -7.252 1.00 10.13 H new ATOM 0 HG SER A 35 -7.734 5.837 -7.594 1.00 3.52 H new ATOM 539 N VAL A 36 -8.053 1.033 -5.806 1.00 3.35 N ATOM 540 CA VAL A 36 -7.386 -0.193 -5.285 1.00 10.50 C ATOM 541 C VAL A 36 -6.004 0.143 -4.667 1.00 11.31 C ATOM 542 O VAL A 36 -5.714 -0.214 -3.525 1.00 10.12 O ATOM 543 CB VAL A 36 -7.202 -1.254 -6.435 1.00 13.53 C ATOM 544 CG1 VAL A 36 -6.505 -2.549 -5.936 1.00 24.11 C ATOM 545 CG2 VAL A 36 -8.554 -1.574 -7.118 1.00 1.54 C ATOM 0 H VAL A 36 -8.338 0.958 -6.782 1.00 3.35 H new ATOM 0 HA VAL A 36 -8.026 -0.611 -4.508 1.00 10.50 H new ATOM 0 HB VAL A 36 -6.542 -0.807 -7.179 1.00 13.53 H new ATOM 0 HG11 VAL A 36 -6.401 -3.249 -6.765 1.00 24.11 H new ATOM 0 HG12 VAL A 36 -5.519 -2.303 -5.543 1.00 24.11 H new ATOM 0 HG13 VAL A 36 -7.106 -3.005 -5.149 1.00 24.11 H new ATOM 0 HG21 VAL A 36 -8.398 -2.309 -7.908 1.00 1.54 H new ATOM 0 HG22 VAL A 36 -9.248 -1.976 -6.380 1.00 1.54 H new ATOM 0 HG23 VAL A 36 -8.969 -0.662 -7.548 1.00 1.54 H new ATOM 555 N GLU A 37 -5.193 0.867 -5.448 1.00 31.02 N ATOM 556 CA GLU A 37 -3.855 1.358 -5.042 1.00 35.41 C ATOM 557 C GLU A 37 -3.915 2.301 -3.804 1.00 43.00 C ATOM 558 O GLU A 37 -3.078 2.209 -2.905 1.00 40.04 O ATOM 559 CB GLU A 37 -3.230 2.093 -6.244 1.00 51.22 C ATOM 560 CG GLU A 37 -3.037 1.229 -7.507 1.00 5.35 C ATOM 561 CD GLU A 37 -2.687 2.065 -8.754 1.00 54.04 C ATOM 562 OE1 GLU A 37 -3.617 2.620 -9.381 1.00 32.13 O ATOM 563 OE2 GLU A 37 -1.495 2.175 -9.111 1.00 4.30 O ATOM 0 H GLU A 37 -5.446 1.137 -6.399 1.00 31.02 H new ATOM 0 HA GLU A 37 -3.245 0.504 -4.748 1.00 35.41 H new ATOM 0 HB2 GLU A 37 -3.861 2.945 -6.498 1.00 51.22 H new ATOM 0 HB3 GLU A 37 -2.261 2.492 -5.943 1.00 51.22 H new ATOM 0 HG2 GLU A 37 -2.244 0.503 -7.327 1.00 5.35 H new ATOM 0 HG3 GLU A 37 -3.949 0.664 -7.698 1.00 5.35 H new ATOM 570 N SER A 38 -4.926 3.200 -3.779 1.00 71.33 N ATOM 571 CA SER A 38 -5.165 4.137 -2.639 1.00 73.41 C ATOM 572 C SER A 38 -5.483 3.379 -1.330 1.00 1.11 C ATOM 573 O SER A 38 -5.056 3.787 -0.247 1.00 43.13 O ATOM 574 CB SER A 38 -6.323 5.116 -2.959 1.00 12.41 C ATOM 575 OG SER A 38 -5.963 6.050 -3.970 1.00 14.25 O ATOM 0 H SER A 38 -5.599 3.302 -4.539 1.00 71.33 H new ATOM 0 HA SER A 38 -4.243 4.701 -2.497 1.00 73.41 H new ATOM 0 HB2 SER A 38 -7.198 4.551 -3.281 1.00 12.41 H new ATOM 0 HB3 SER A 38 -6.606 5.652 -2.053 1.00 12.41 H new ATOM 0 HG SER A 38 -6.760 6.542 -4.259 1.00 14.25 H new ATOM 581 N THR A 39 -6.235 2.275 -1.459 1.00 51.43 N ATOM 582 CA THR A 39 -6.638 1.423 -0.320 1.00 34.41 C ATOM 583 C THR A 39 -5.433 0.619 0.232 1.00 20.15 C ATOM 584 O THR A 39 -5.210 0.601 1.438 1.00 53.21 O ATOM 585 CB THR A 39 -7.801 0.461 -0.740 1.00 33.13 C ATOM 586 OG1 THR A 39 -8.923 1.240 -1.189 1.00 22.51 O ATOM 587 CG2 THR A 39 -8.261 -0.464 0.399 1.00 53.44 C ATOM 0 H THR A 39 -6.584 1.943 -2.358 1.00 51.43 H new ATOM 0 HA THR A 39 -6.997 2.073 0.478 1.00 34.41 H new ATOM 0 HB THR A 39 -7.415 -0.174 -1.538 1.00 33.13 H new ATOM 0 HG1 THR A 39 -8.730 1.611 -2.075 1.00 22.51 H new ATOM 0 HG21 THR A 39 -9.068 -1.105 0.044 1.00 53.44 H new ATOM 0 HG22 THR A 39 -7.425 -1.081 0.727 1.00 53.44 H new ATOM 0 HG23 THR A 39 -8.617 0.138 1.235 1.00 53.44 H new ATOM 595 N ALA A 40 -4.643 -0.008 -0.674 1.00 10.32 N ATOM 596 CA ALA A 40 -3.424 -0.797 -0.306 1.00 32.12 C ATOM 597 C ALA A 40 -2.354 0.065 0.412 1.00 70.40 C ATOM 598 O ALA A 40 -1.678 -0.391 1.342 1.00 22.45 O ATOM 599 CB ALA A 40 -2.819 -1.429 -1.571 1.00 33.12 C ATOM 0 H ALA A 40 -4.825 0.014 -1.677 1.00 10.32 H new ATOM 0 HA ALA A 40 -3.736 -1.573 0.393 1.00 32.12 H new ATOM 0 HB1 ALA A 40 -1.932 -2.003 -1.302 1.00 33.12 H new ATOM 0 HB2 ALA A 40 -3.552 -2.089 -2.034 1.00 33.12 H new ATOM 0 HB3 ALA A 40 -2.543 -0.643 -2.274 1.00 33.12 H new ATOM 605 N LEU A 41 -2.223 1.313 -0.049 1.00 71.11 N ATOM 606 CA LEU A 41 -1.305 2.314 0.518 1.00 64.10 C ATOM 607 C LEU A 41 -1.806 2.786 1.916 1.00 43.04 C ATOM 608 O LEU A 41 -1.010 2.927 2.855 1.00 52.24 O ATOM 609 CB LEU A 41 -1.160 3.460 -0.539 1.00 2.55 C ATOM 610 CG LEU A 41 -0.349 4.753 -0.181 1.00 45.42 C ATOM 611 CD1 LEU A 41 -1.214 5.779 0.565 1.00 52.41 C ATOM 612 CD2 LEU A 41 0.951 4.438 0.594 1.00 2.11 C ATOM 0 H LEU A 41 -2.761 1.665 -0.841 1.00 71.11 H new ATOM 0 HA LEU A 41 -0.314 1.902 0.708 1.00 64.10 H new ATOM 0 HB2 LEU A 41 -0.703 3.026 -1.428 1.00 2.55 H new ATOM 0 HB3 LEU A 41 -2.166 3.774 -0.818 1.00 2.55 H new ATOM 0 HG LEU A 41 -0.050 5.203 -1.128 1.00 45.42 H new ATOM 0 HD11 LEU A 41 -0.616 6.661 0.795 1.00 52.41 H new ATOM 0 HD12 LEU A 41 -2.058 6.067 -0.061 1.00 52.41 H new ATOM 0 HD13 LEU A 41 -1.583 5.339 1.491 1.00 52.41 H new ATOM 0 HD21 LEU A 41 1.475 5.367 0.818 1.00 2.11 H new ATOM 0 HD22 LEU A 41 0.705 3.927 1.525 1.00 2.11 H new ATOM 0 HD23 LEU A 41 1.591 3.798 -0.013 1.00 2.11 H new ATOM 624 N ALA A 42 -3.131 3.008 2.043 1.00 21.24 N ATOM 625 CA ALA A 42 -3.771 3.405 3.328 1.00 43.41 C ATOM 626 C ALA A 42 -3.664 2.277 4.397 1.00 41.40 C ATOM 627 O ALA A 42 -3.565 2.550 5.600 1.00 14.31 O ATOM 628 CB ALA A 42 -5.234 3.802 3.084 1.00 63.11 C ATOM 0 H ALA A 42 -3.788 2.920 1.268 1.00 21.24 H new ATOM 0 HA ALA A 42 -3.235 4.268 3.723 1.00 43.41 H new ATOM 0 HB1 ALA A 42 -5.695 4.091 4.029 1.00 63.11 H new ATOM 0 HB2 ALA A 42 -5.272 4.641 2.390 1.00 63.11 H new ATOM 0 HB3 ALA A 42 -5.775 2.956 2.660 1.00 63.11 H new ATOM 634 N VAL A 43 -3.675 1.009 3.926 1.00 74.10 N ATOM 635 CA VAL A 43 -3.386 -0.187 4.759 1.00 4.14 C ATOM 636 C VAL A 43 -1.964 -0.112 5.383 1.00 32.03 C ATOM 637 O VAL A 43 -1.760 -0.533 6.524 1.00 71.12 O ATOM 638 CB VAL A 43 -3.558 -1.513 3.908 1.00 52.22 C ATOM 639 CG1 VAL A 43 -2.967 -2.759 4.610 1.00 31.45 C ATOM 640 CG2 VAL A 43 -5.048 -1.756 3.549 1.00 43.33 C ATOM 0 H VAL A 43 -3.885 0.783 2.954 1.00 74.10 H new ATOM 0 HA VAL A 43 -4.105 -0.206 5.578 1.00 4.14 H new ATOM 0 HB VAL A 43 -2.990 -1.362 2.990 1.00 52.22 H new ATOM 0 HG11 VAL A 43 -3.115 -3.636 3.980 1.00 31.45 H new ATOM 0 HG12 VAL A 43 -1.901 -2.609 4.780 1.00 31.45 H new ATOM 0 HG13 VAL A 43 -3.469 -2.910 5.566 1.00 31.45 H new ATOM 0 HG21 VAL A 43 -5.137 -2.672 2.965 1.00 43.33 H new ATOM 0 HG22 VAL A 43 -5.632 -1.851 4.464 1.00 43.33 H new ATOM 0 HG23 VAL A 43 -5.423 -0.916 2.965 1.00 43.33 H new ATOM 650 N GLY A 44 -1.001 0.453 4.628 1.00 13.05 N ATOM 651 CA GLY A 44 0.369 0.682 5.127 1.00 24.14 C ATOM 652 C GLY A 44 0.451 1.672 6.304 1.00 22.35 C ATOM 653 O GLY A 44 1.311 1.532 7.187 1.00 70.02 O ATOM 0 H GLY A 44 -1.148 0.760 3.667 1.00 13.05 H new ATOM 0 HA2 GLY A 44 0.795 -0.272 5.438 1.00 24.14 H new ATOM 0 HA3 GLY A 44 0.985 1.055 4.309 1.00 24.14 H new ATOM 657 N TRP A 45 -0.459 2.666 6.320 1.00 0.52 N ATOM 658 CA TRP A 45 -0.569 3.646 7.427 1.00 64.40 C ATOM 659 C TRP A 45 -1.209 3.003 8.692 1.00 75.02 C ATOM 660 O TRP A 45 -0.995 3.458 9.822 1.00 21.21 O ATOM 661 CB TRP A 45 -1.374 4.881 6.962 1.00 41.21 C ATOM 662 CG TRP A 45 -1.388 6.027 7.953 1.00 52.13 C ATOM 663 CD1 TRP A 45 -2.388 6.365 8.824 1.00 51.22 C ATOM 664 CD2 TRP A 45 -0.326 6.963 8.189 1.00 14.32 C ATOM 665 NE1 TRP A 45 -2.035 7.479 9.535 1.00 54.52 N ATOM 666 CE2 TRP A 45 -0.773 7.863 9.169 1.00 71.24 C ATOM 667 CE3 TRP A 45 0.953 7.134 7.649 1.00 61.04 C ATOM 668 CZ2 TRP A 45 0.011 8.919 9.628 1.00 43.24 C ATOM 669 CZ3 TRP A 45 1.733 8.178 8.109 1.00 53.53 C ATOM 670 CH2 TRP A 45 1.259 9.062 9.087 1.00 74.23 C ATOM 0 H TRP A 45 -1.136 2.815 5.572 1.00 0.52 H new ATOM 0 HA TRP A 45 0.435 3.968 7.702 1.00 64.40 H new ATOM 0 HB2 TRP A 45 -0.958 5.237 6.019 1.00 41.21 H new ATOM 0 HB3 TRP A 45 -2.401 4.576 6.763 1.00 41.21 H new ATOM 0 HD1 TRP A 45 -3.320 5.830 8.934 1.00 51.22 H new ATOM 0 HE1 TRP A 45 -2.619 7.949 10.227 1.00 54.52 H new ATOM 0 HE3 TRP A 45 1.324 6.464 6.888 1.00 61.04 H new ATOM 0 HZ2 TRP A 45 -0.353 9.600 10.383 1.00 43.24 H new ATOM 0 HZ3 TRP A 45 2.726 8.315 7.707 1.00 53.53 H new ATOM 0 HH2 TRP A 45 1.891 9.872 9.420 1.00 74.23 H new ATOM 681 N LEU A 46 -2.033 1.972 8.483 1.00 33.04 N ATOM 682 CA LEU A 46 -2.531 1.110 9.577 1.00 3.32 C ATOM 683 C LEU A 46 -1.417 0.157 10.092 1.00 44.22 C ATOM 684 O LEU A 46 -1.302 -0.088 11.295 1.00 24.24 O ATOM 685 CB LEU A 46 -3.772 0.324 9.083 1.00 45.33 C ATOM 686 CG LEU A 46 -4.969 1.204 8.608 1.00 70.43 C ATOM 687 CD1 LEU A 46 -6.095 0.352 7.988 1.00 5.02 C ATOM 688 CD2 LEU A 46 -5.487 2.090 9.766 1.00 22.35 C ATOM 0 H LEU A 46 -2.376 1.706 7.560 1.00 33.04 H new ATOM 0 HA LEU A 46 -2.825 1.734 10.421 1.00 3.32 H new ATOM 0 HB2 LEU A 46 -3.468 -0.323 8.260 1.00 45.33 H new ATOM 0 HB3 LEU A 46 -4.116 -0.325 9.889 1.00 45.33 H new ATOM 0 HG LEU A 46 -4.608 1.864 7.819 1.00 70.43 H new ATOM 0 HD11 LEU A 46 -6.910 1.002 7.670 1.00 5.02 H new ATOM 0 HD12 LEU A 46 -5.707 -0.192 7.127 1.00 5.02 H new ATOM 0 HD13 LEU A 46 -6.465 -0.357 8.729 1.00 5.02 H new ATOM 0 HD21 LEU A 46 -6.322 2.696 9.415 1.00 22.35 H new ATOM 0 HD22 LEU A 46 -5.819 1.456 10.588 1.00 22.35 H new ATOM 0 HD23 LEU A 46 -4.685 2.742 10.112 1.00 22.35 H new ATOM 700 N ALA A 47 -0.604 -0.376 9.152 1.00 15.50 N ATOM 701 CA ALA A 47 0.525 -1.301 9.447 1.00 63.13 C ATOM 702 C ALA A 47 1.661 -0.642 10.274 1.00 74.22 C ATOM 703 O ALA A 47 2.356 -1.333 11.034 1.00 52.11 O ATOM 704 CB ALA A 47 1.075 -1.887 8.130 1.00 44.32 C ATOM 0 H ALA A 47 -0.710 -0.177 8.157 1.00 15.50 H new ATOM 0 HA ALA A 47 0.128 -2.102 10.071 1.00 63.13 H new ATOM 0 HB1 ALA A 47 1.901 -2.563 8.350 1.00 44.32 H new ATOM 0 HB2 ALA A 47 0.284 -2.435 7.617 1.00 44.32 H new ATOM 0 HB3 ALA A 47 1.429 -1.078 7.491 1.00 44.32 H new ATOM 710 N ARG A 48 1.848 0.694 10.134 1.00 23.51 N ATOM 711 CA ARG A 48 2.824 1.451 10.967 1.00 63.35 C ATOM 712 C ARG A 48 2.346 1.594 12.440 1.00 11.34 C ATOM 713 O ARG A 48 3.115 2.013 13.306 1.00 62.20 O ATOM 714 CB ARG A 48 3.154 2.832 10.318 1.00 21.42 C ATOM 715 CG ARG A 48 2.006 3.873 10.216 1.00 34.14 C ATOM 716 CD ARG A 48 1.916 4.859 11.404 1.00 42.13 C ATOM 717 NE ARG A 48 0.658 5.632 11.384 1.00 62.13 N ATOM 718 CZ ARG A 48 0.287 6.511 12.299 1.00 44.23 C ATOM 719 NH1 ARG A 48 1.073 6.860 13.265 1.00 1.31 N ATOM 720 NH2 ARG A 48 -0.892 7.030 12.237 1.00 24.21 N ATOM 0 H ARG A 48 1.342 1.268 9.459 1.00 23.51 H new ATOM 0 HA ARG A 48 3.748 0.874 11.001 1.00 63.35 H new ATOM 0 HB2 ARG A 48 3.967 3.284 10.886 1.00 21.42 H new ATOM 0 HB3 ARG A 48 3.531 2.649 9.312 1.00 21.42 H new ATOM 0 HG2 ARG A 48 2.134 4.445 9.297 1.00 34.14 H new ATOM 0 HG3 ARG A 48 1.059 3.341 10.131 1.00 34.14 H new ATOM 0 HD2 ARG A 48 1.988 4.306 12.341 1.00 42.13 H new ATOM 0 HD3 ARG A 48 2.763 5.544 11.372 1.00 42.13 H new ATOM 0 HE ARG A 48 0.024 5.475 10.601 1.00 62.13 H new ATOM 0 HH11 ARG A 48 2.006 6.454 13.335 1.00 1.31 H new ATOM 0 HH12 ARG A 48 0.760 7.541 13.957 1.00 1.31 H new ATOM 0 HH21 ARG A 48 -1.529 6.761 11.487 1.00 24.21 H new ATOM 0 HH22 ARG A 48 -1.188 7.709 12.938 1.00 24.21 H new ATOM 734 N GLU A 49 1.060 1.275 12.692 1.00 45.13 N ATOM 735 CA GLU A 49 0.469 1.180 14.059 1.00 12.12 C ATOM 736 C GLU A 49 0.133 -0.279 14.442 1.00 10.44 C ATOM 737 O GLU A 49 -0.235 -0.545 15.593 1.00 73.33 O ATOM 738 CB GLU A 49 -0.827 2.029 14.129 1.00 13.41 C ATOM 739 CG GLU A 49 -0.624 3.514 13.826 1.00 51.31 C ATOM 740 CD GLU A 49 -1.938 4.303 13.794 1.00 3.14 C ATOM 741 OE1 GLU A 49 -2.709 4.135 12.830 1.00 55.12 O ATOM 742 OE2 GLU A 49 -2.229 5.060 14.750 1.00 30.32 O ATOM 0 H GLU A 49 0.389 1.073 11.951 1.00 45.13 H new ATOM 0 HA GLU A 49 1.211 1.556 14.763 1.00 12.12 H new ATOM 0 HB2 GLU A 49 -1.552 1.622 13.424 1.00 13.41 H new ATOM 0 HB3 GLU A 49 -1.259 1.929 15.125 1.00 13.41 H new ATOM 0 HG2 GLU A 49 0.035 3.946 14.579 1.00 51.31 H new ATOM 0 HG3 GLU A 49 -0.121 3.618 12.865 1.00 51.31 H new ATOM 749 N ASN A 50 0.246 -1.201 13.456 1.00 61.52 N ATOM 750 CA ASN A 50 -0.153 -2.630 13.584 1.00 15.43 C ATOM 751 C ASN A 50 -1.677 -2.811 13.830 1.00 72.02 C ATOM 752 O ASN A 50 -2.107 -3.805 14.421 1.00 42.11 O ATOM 753 CB ASN A 50 0.689 -3.365 14.664 1.00 41.33 C ATOM 754 CG ASN A 50 2.160 -3.474 14.279 1.00 62.33 C ATOM 755 OD1 ASN A 50 2.564 -4.422 13.620 1.00 74.10 O ATOM 756 ND2 ASN A 50 2.972 -2.510 14.680 1.00 31.32 N ATOM 0 H ASN A 50 0.622 -0.973 12.535 1.00 61.52 H new ATOM 0 HA ASN A 50 0.061 -3.094 12.621 1.00 15.43 H new ATOM 0 HB2 ASN A 50 0.603 -2.834 15.612 1.00 41.33 H new ATOM 0 HB3 ASN A 50 0.282 -4.364 14.820 1.00 41.33 H new ATOM 0 HD21 ASN A 50 3.963 -2.545 14.441 1.00 31.32 H new ATOM 0 HD22 ASN A 50 2.607 -1.731 15.229 1.00 31.32 H new ATOM 763 N LYS A 51 -2.487 -1.855 13.323 1.00 73.31 N ATOM 764 CA LYS A 51 -3.972 -1.963 13.308 1.00 1.21 C ATOM 765 C LYS A 51 -4.466 -3.050 12.321 1.00 23.31 C ATOM 766 O LYS A 51 -5.634 -3.458 12.358 1.00 14.24 O ATOM 767 CB LYS A 51 -4.615 -0.597 12.954 1.00 13.12 C ATOM 768 CG LYS A 51 -4.590 0.442 14.089 1.00 54.12 C ATOM 769 CD LYS A 51 -5.321 1.756 13.713 1.00 42.32 C ATOM 770 CE LYS A 51 -5.555 2.677 14.926 1.00 62.21 C ATOM 771 NZ LYS A 51 -4.291 3.078 15.596 1.00 32.22 N ATOM 0 H LYS A 51 -2.137 -0.989 12.913 1.00 73.31 H new ATOM 0 HA LYS A 51 -4.281 -2.258 14.311 1.00 1.21 H new ATOM 0 HB2 LYS A 51 -4.098 -0.182 12.089 1.00 13.12 H new ATOM 0 HB3 LYS A 51 -5.650 -0.765 12.657 1.00 13.12 H new ATOM 0 HG2 LYS A 51 -5.054 0.014 14.978 1.00 54.12 H new ATOM 0 HG3 LYS A 51 -3.555 0.668 14.347 1.00 54.12 H new ATOM 0 HD2 LYS A 51 -4.736 2.290 12.964 1.00 42.32 H new ATOM 0 HD3 LYS A 51 -6.280 1.515 13.255 1.00 42.32 H new ATOM 0 HE2 LYS A 51 -6.088 3.570 14.601 1.00 62.21 H new ATOM 0 HE3 LYS A 51 -6.196 2.167 15.645 1.00 62.21 H new ATOM 0 HZ1 LYS A 51 -4.339 2.829 16.605 1.00 32.22 H new ATOM 0 HZ2 LYS A 51 -3.491 2.581 15.154 1.00 32.22 H new ATOM 0 HZ3 LYS A 51 -4.157 4.105 15.498 1.00 32.22 H new ATOM 785 N VAL A 52 -3.567 -3.513 11.442 1.00 45.44 N ATOM 786 CA VAL A 52 -3.839 -4.596 10.481 1.00 45.31 C ATOM 787 C VAL A 52 -2.683 -5.624 10.468 1.00 15.11 C ATOM 788 O VAL A 52 -1.543 -5.302 10.832 1.00 23.42 O ATOM 789 CB VAL A 52 -4.061 -4.033 9.027 1.00 12.23 C ATOM 790 CG1 VAL A 52 -5.340 -3.163 8.932 1.00 51.23 C ATOM 791 CG2 VAL A 52 -2.812 -3.259 8.522 1.00 72.24 C ATOM 0 H VAL A 52 -2.619 -3.143 11.376 1.00 45.44 H new ATOM 0 HA VAL A 52 -4.754 -5.092 10.804 1.00 45.31 H new ATOM 0 HB VAL A 52 -4.207 -4.891 8.371 1.00 12.23 H new ATOM 0 HG11 VAL A 52 -5.455 -2.795 7.912 1.00 51.23 H new ATOM 0 HG12 VAL A 52 -6.209 -3.763 9.201 1.00 51.23 H new ATOM 0 HG13 VAL A 52 -5.257 -2.318 9.615 1.00 51.23 H new ATOM 0 HG21 VAL A 52 -2.999 -2.884 7.516 1.00 72.24 H new ATOM 0 HG22 VAL A 52 -2.608 -2.422 9.189 1.00 72.24 H new ATOM 0 HG23 VAL A 52 -1.951 -3.928 8.506 1.00 72.24 H new ATOM 801 N VAL A 53 -3.003 -6.864 10.060 1.00 64.22 N ATOM 802 CA VAL A 53 -2.015 -7.951 9.840 1.00 74.20 C ATOM 803 C VAL A 53 -2.206 -8.543 8.426 1.00 61.42 C ATOM 804 O VAL A 53 -3.331 -8.648 7.936 1.00 3.10 O ATOM 805 CB VAL A 53 -2.113 -9.089 10.934 1.00 15.21 C ATOM 806 CG1 VAL A 53 -1.724 -8.550 12.338 1.00 73.15 C ATOM 807 CG2 VAL A 53 -3.519 -9.730 10.958 1.00 43.41 C ATOM 0 H VAL A 53 -3.964 -7.150 9.870 1.00 64.22 H new ATOM 0 HA VAL A 53 -1.019 -7.517 9.928 1.00 74.20 H new ATOM 0 HB VAL A 53 -1.400 -9.867 10.662 1.00 15.21 H new ATOM 0 HG11 VAL A 53 -1.800 -9.354 13.070 1.00 73.15 H new ATOM 0 HG12 VAL A 53 -0.700 -8.177 12.314 1.00 73.15 H new ATOM 0 HG13 VAL A 53 -2.398 -7.740 12.616 1.00 73.15 H new ATOM 0 HG21 VAL A 53 -3.551 -10.508 11.721 1.00 43.41 H new ATOM 0 HG22 VAL A 53 -4.263 -8.967 11.186 1.00 43.41 H new ATOM 0 HG23 VAL A 53 -3.736 -10.168 9.984 1.00 43.41 H new ATOM 817 N ILE A 54 -1.103 -8.913 7.765 1.00 45.32 N ATOM 818 CA ILE A 54 -1.113 -9.343 6.345 1.00 34.11 C ATOM 819 C ILE A 54 -0.568 -10.778 6.206 1.00 4.50 C ATOM 820 O ILE A 54 0.457 -11.120 6.798 1.00 64.31 O ATOM 821 CB ILE A 54 -0.260 -8.349 5.476 1.00 52.14 C ATOM 822 CG1 ILE A 54 -0.773 -6.890 5.677 1.00 4.33 C ATOM 823 CG2 ILE A 54 -0.255 -8.745 3.977 1.00 0.40 C ATOM 824 CD1 ILE A 54 0.095 -5.821 5.071 1.00 51.24 C ATOM 0 H ILE A 54 -0.176 -8.926 8.190 1.00 45.32 H new ATOM 0 HA ILE A 54 -2.142 -9.333 5.987 1.00 34.11 H new ATOM 0 HB ILE A 54 0.774 -8.406 5.816 1.00 52.14 H new ATOM 0 HG12 ILE A 54 -1.773 -6.810 5.250 1.00 4.33 H new ATOM 0 HG13 ILE A 54 -0.867 -6.698 6.746 1.00 4.33 H new ATOM 0 HG21 ILE A 54 0.346 -8.031 3.414 1.00 0.40 H new ATOM 0 HG22 ILE A 54 0.168 -9.743 3.866 1.00 0.40 H new ATOM 0 HG23 ILE A 54 -1.276 -8.740 3.596 1.00 0.40 H new ATOM 0 HD11 ILE A 54 -0.345 -4.843 5.264 1.00 51.24 H new ATOM 0 HD12 ILE A 54 1.090 -5.865 5.514 1.00 51.24 H new ATOM 0 HD13 ILE A 54 0.170 -5.980 3.995 1.00 51.24 H new ATOM 836 N GLU A 55 -1.268 -11.606 5.418 1.00 42.02 N ATOM 837 CA GLU A 55 -0.891 -13.013 5.164 1.00 54.53 C ATOM 838 C GLU A 55 -0.658 -13.271 3.661 1.00 21.55 C ATOM 839 O GLU A 55 -1.519 -12.961 2.829 1.00 14.45 O ATOM 840 CB GLU A 55 -2.001 -13.955 5.702 1.00 62.14 C ATOM 841 CG GLU A 55 -2.075 -14.055 7.237 1.00 34.22 C ATOM 842 CD GLU A 55 -0.856 -14.782 7.839 1.00 12.24 C ATOM 843 OE1 GLU A 55 -0.773 -16.025 7.686 1.00 23.02 O ATOM 844 OE2 GLU A 55 0.028 -14.123 8.431 1.00 45.25 O ATOM 0 H GLU A 55 -2.119 -11.321 4.933 1.00 42.02 H new ATOM 0 HA GLU A 55 0.045 -13.216 5.685 1.00 54.53 H new ATOM 0 HB2 GLU A 55 -2.964 -13.609 5.328 1.00 62.14 H new ATOM 0 HB3 GLU A 55 -1.840 -14.953 5.294 1.00 62.14 H new ATOM 0 HG2 GLU A 55 -2.142 -13.053 7.661 1.00 34.22 H new ATOM 0 HG3 GLU A 55 -2.986 -14.583 7.520 1.00 34.22 H new ATOM 851 N ARG A 56 0.515 -13.837 3.325 1.00 64.44 N ATOM 852 CA ARG A 56 0.805 -14.340 1.967 1.00 11.43 C ATOM 853 C ARG A 56 0.516 -15.855 1.887 1.00 73.30 C ATOM 854 O ARG A 56 1.298 -16.684 2.372 1.00 62.44 O ATOM 855 CB ARG A 56 2.270 -14.033 1.542 1.00 64.54 C ATOM 856 CG ARG A 56 2.527 -12.571 1.109 1.00 41.14 C ATOM 857 CD ARG A 56 3.926 -12.382 0.477 1.00 2.04 C ATOM 858 NE ARG A 56 4.045 -11.108 -0.263 1.00 4.20 N ATOM 859 CZ ARG A 56 5.157 -10.630 -0.790 1.00 14.40 C ATOM 860 NH1 ARG A 56 6.305 -11.206 -0.586 1.00 23.04 N ATOM 861 NH2 ARG A 56 5.109 -9.559 -1.509 1.00 63.53 N ATOM 0 H ARG A 56 1.286 -13.959 3.982 1.00 64.44 H new ATOM 0 HA ARG A 56 0.150 -13.820 1.269 1.00 11.43 H new ATOM 0 HB2 ARG A 56 2.932 -14.272 2.374 1.00 64.54 H new ATOM 0 HB3 ARG A 56 2.541 -14.694 0.719 1.00 64.54 H new ATOM 0 HG2 ARG A 56 1.763 -12.267 0.393 1.00 41.14 H new ATOM 0 HG3 ARG A 56 2.431 -11.916 1.975 1.00 41.14 H new ATOM 0 HD2 ARG A 56 4.683 -12.415 1.261 1.00 2.04 H new ATOM 0 HD3 ARG A 56 4.131 -13.212 -0.199 1.00 2.04 H new ATOM 0 HE ARG A 56 3.197 -10.552 -0.376 1.00 4.20 H new ATOM 0 HH11 ARG A 56 6.359 -12.045 -0.009 1.00 23.04 H new ATOM 0 HH12 ARG A 56 7.151 -10.819 -1.004 1.00 23.04 H new ATOM 0 HH21 ARG A 56 4.217 -9.090 -1.666 1.00 63.53 H new ATOM 0 HH22 ARG A 56 5.963 -9.182 -1.920 1.00 63.53 H new ATOM 875 N LYS A 57 -0.629 -16.195 1.282 1.00 12.32 N ATOM 876 CA LYS A 57 -1.064 -17.596 1.068 1.00 14.22 C ATOM 877 C LYS A 57 -0.957 -17.960 -0.433 1.00 22.12 C ATOM 878 O LYS A 57 -1.547 -17.289 -1.287 1.00 51.11 O ATOM 879 CB LYS A 57 -2.511 -17.849 1.609 1.00 43.04 C ATOM 880 CG LYS A 57 -3.632 -16.930 1.051 1.00 71.55 C ATOM 881 CD LYS A 57 -3.680 -15.535 1.716 1.00 50.33 C ATOM 882 CE LYS A 57 -4.116 -15.599 3.190 1.00 1.14 C ATOM 883 NZ LYS A 57 -5.498 -16.133 3.338 1.00 2.13 N ATOM 0 H LYS A 57 -1.290 -15.507 0.922 1.00 12.32 H new ATOM 0 HA LYS A 57 -0.398 -18.246 1.636 1.00 14.22 H new ATOM 0 HB2 LYS A 57 -2.779 -18.883 1.394 1.00 43.04 H new ATOM 0 HB3 LYS A 57 -2.493 -17.744 2.694 1.00 43.04 H new ATOM 0 HG2 LYS A 57 -3.488 -16.806 -0.022 1.00 71.55 H new ATOM 0 HG3 LYS A 57 -4.595 -17.422 1.189 1.00 71.55 H new ATOM 0 HD2 LYS A 57 -2.696 -15.071 1.652 1.00 50.33 H new ATOM 0 HD3 LYS A 57 -4.370 -14.897 1.164 1.00 50.33 H new ATOM 0 HE2 LYS A 57 -3.422 -16.229 3.747 1.00 1.14 H new ATOM 0 HE3 LYS A 57 -4.063 -14.602 3.628 1.00 1.14 H new ATOM 0 HZ1 LYS A 57 -5.971 -15.656 4.131 1.00 2.13 H new ATOM 0 HZ2 LYS A 57 -6.032 -15.961 2.462 1.00 2.13 H new ATOM 0 HZ3 LYS A 57 -5.457 -17.155 3.524 1.00 2.13 H new ATOM 897 N ASN A 58 -0.185 -19.031 -0.730 1.00 12.44 N ATOM 898 CA ASN A 58 0.129 -19.498 -2.114 1.00 15.11 C ATOM 899 C ASN A 58 0.778 -18.374 -2.979 1.00 64.51 C ATOM 900 O ASN A 58 0.685 -18.383 -4.214 1.00 3.25 O ATOM 901 CB ASN A 58 -1.155 -20.053 -2.803 1.00 5.40 C ATOM 902 CG ASN A 58 -1.878 -21.105 -1.959 1.00 21.31 C ATOM 903 OD1 ASN A 58 -1.588 -22.293 -2.033 1.00 30.13 O ATOM 904 ND2 ASN A 58 -2.827 -20.673 -1.146 1.00 70.21 N ATOM 0 H ASN A 58 0.247 -19.608 -0.009 1.00 12.44 H new ATOM 0 HA ASN A 58 0.861 -20.301 -2.031 1.00 15.11 H new ATOM 0 HB2 ASN A 58 -1.837 -19.228 -3.007 1.00 5.40 H new ATOM 0 HB3 ASN A 58 -0.885 -20.489 -3.765 1.00 5.40 H new ATOM 0 HD21 ASN A 58 -3.337 -21.334 -0.561 1.00 70.21 H new ATOM 0 HD22 ASN A 58 -3.049 -19.678 -1.104 1.00 70.21 H new ATOM 911 N GLY A 59 1.502 -17.455 -2.312 1.00 53.35 N ATOM 912 CA GLY A 59 2.079 -16.266 -2.965 1.00 74.34 C ATOM 913 C GLY A 59 1.140 -15.041 -2.988 1.00 70.20 C ATOM 914 O GLY A 59 1.608 -13.899 -3.042 1.00 53.30 O ATOM 0 H GLY A 59 1.702 -17.515 -1.314 1.00 53.35 H new ATOM 0 HA2 GLY A 59 3.001 -15.994 -2.451 1.00 74.34 H new ATOM 0 HA3 GLY A 59 2.349 -16.523 -3.989 1.00 74.34 H new ATOM 918 N LEU A 60 -0.189 -15.278 -2.941 1.00 72.32 N ATOM 919 CA LEU A 60 -1.219 -14.207 -3.002 1.00 32.22 C ATOM 920 C LEU A 60 -1.356 -13.484 -1.640 1.00 13.13 C ATOM 921 O LEU A 60 -1.319 -14.119 -0.582 1.00 4.05 O ATOM 922 CB LEU A 60 -2.613 -14.779 -3.427 1.00 31.32 C ATOM 923 CG LEU A 60 -2.759 -15.325 -4.888 1.00 52.33 C ATOM 924 CD1 LEU A 60 -2.290 -14.293 -5.929 1.00 54.22 C ATOM 925 CD2 LEU A 60 -2.058 -16.690 -5.071 1.00 75.13 C ATOM 0 H LEU A 60 -0.582 -16.216 -2.860 1.00 72.32 H new ATOM 0 HA LEU A 60 -0.887 -13.491 -3.754 1.00 32.22 H new ATOM 0 HB2 LEU A 60 -2.869 -15.586 -2.740 1.00 31.32 H new ATOM 0 HB3 LEU A 60 -3.355 -13.993 -3.286 1.00 31.32 H new ATOM 0 HG LEU A 60 -3.822 -15.495 -5.060 1.00 52.33 H new ATOM 0 HD11 LEU A 60 -2.406 -14.708 -6.930 1.00 54.22 H new ATOM 0 HD12 LEU A 60 -2.890 -13.387 -5.839 1.00 54.22 H new ATOM 0 HD13 LEU A 60 -1.241 -14.052 -5.756 1.00 54.22 H new ATOM 0 HD21 LEU A 60 -2.185 -17.030 -6.099 1.00 75.13 H new ATOM 0 HD22 LEU A 60 -0.995 -16.585 -4.853 1.00 75.13 H new ATOM 0 HD23 LEU A 60 -2.498 -17.419 -4.391 1.00 75.13 H new ATOM 937 N ILE A 61 -1.542 -12.156 -1.683 1.00 33.43 N ATOM 938 CA ILE A 61 -1.681 -11.315 -0.474 1.00 60.04 C ATOM 939 C ILE A 61 -3.162 -11.120 -0.078 1.00 63.51 C ATOM 940 O ILE A 61 -4.012 -10.827 -0.927 1.00 3.14 O ATOM 941 CB ILE A 61 -0.990 -9.916 -0.690 1.00 30.40 C ATOM 942 CG1 ILE A 61 0.540 -10.117 -0.913 1.00 65.03 C ATOM 943 CG2 ILE A 61 -1.273 -8.926 0.477 1.00 4.23 C ATOM 944 CD1 ILE A 61 1.355 -8.845 -0.990 1.00 64.11 C ATOM 0 H ILE A 61 -1.601 -11.630 -2.555 1.00 33.43 H new ATOM 0 HA ILE A 61 -1.183 -11.837 0.343 1.00 60.04 H new ATOM 0 HB ILE A 61 -1.422 -9.460 -1.581 1.00 30.40 H new ATOM 0 HG12 ILE A 61 0.931 -10.731 -0.102 1.00 65.03 H new ATOM 0 HG13 ILE A 61 0.685 -10.678 -1.836 1.00 65.03 H new ATOM 0 HG21 ILE A 61 -0.774 -7.977 0.279 1.00 4.23 H new ATOM 0 HG22 ILE A 61 -2.347 -8.760 0.561 1.00 4.23 H new ATOM 0 HG23 ILE A 61 -0.896 -9.346 1.410 1.00 4.23 H new ATOM 0 HD11 ILE A 61 2.405 -9.094 -1.146 1.00 64.11 H new ATOM 0 HD12 ILE A 61 0.999 -8.235 -1.820 1.00 64.11 H new ATOM 0 HD13 ILE A 61 1.249 -8.288 -0.059 1.00 64.11 H new ATOM 956 N GLU A 62 -3.443 -11.287 1.226 1.00 35.31 N ATOM 957 CA GLU A 62 -4.759 -11.007 1.828 1.00 31.45 C ATOM 958 C GLU A 62 -4.592 -10.163 3.114 1.00 64.11 C ATOM 959 O GLU A 62 -3.674 -10.403 3.909 1.00 10.45 O ATOM 960 CB GLU A 62 -5.493 -12.338 2.136 1.00 35.31 C ATOM 961 CG GLU A 62 -6.924 -12.187 2.684 1.00 31.11 C ATOM 962 CD GLU A 62 -7.874 -11.493 1.696 1.00 44.45 C ATOM 963 OE1 GLU A 62 -7.916 -10.248 1.675 1.00 52.34 O ATOM 964 OE2 GLU A 62 -8.565 -12.193 0.922 1.00 63.25 O ATOM 0 H GLU A 62 -2.755 -11.624 1.900 1.00 35.31 H new ATOM 0 HA GLU A 62 -5.359 -10.435 1.121 1.00 31.45 H new ATOM 0 HB2 GLU A 62 -5.532 -12.932 1.223 1.00 35.31 H new ATOM 0 HB3 GLU A 62 -4.902 -12.901 2.858 1.00 35.31 H new ATOM 0 HG2 GLU A 62 -7.320 -13.173 2.929 1.00 31.11 H new ATOM 0 HG3 GLU A 62 -6.894 -11.616 3.612 1.00 31.11 H new ATOM 971 N ILE A 63 -5.491 -9.182 3.312 1.00 12.12 N ATOM 972 CA ILE A 63 -5.436 -8.255 4.461 1.00 14.22 C ATOM 973 C ILE A 63 -6.477 -8.641 5.557 1.00 61.41 C ATOM 974 O ILE A 63 -7.675 -8.785 5.294 1.00 20.21 O ATOM 975 CB ILE A 63 -5.610 -6.757 3.982 1.00 62.52 C ATOM 976 CG1 ILE A 63 -5.521 -5.760 5.177 1.00 50.35 C ATOM 977 CG2 ILE A 63 -6.911 -6.546 3.185 1.00 63.10 C ATOM 978 CD1 ILE A 63 -4.234 -5.853 5.962 1.00 11.52 C ATOM 0 H ILE A 63 -6.275 -9.008 2.683 1.00 12.12 H new ATOM 0 HA ILE A 63 -4.450 -8.342 4.918 1.00 14.22 H new ATOM 0 HB ILE A 63 -4.780 -6.549 3.306 1.00 62.52 H new ATOM 0 HG12 ILE A 63 -5.630 -4.744 4.798 1.00 50.35 H new ATOM 0 HG13 ILE A 63 -6.359 -5.941 5.850 1.00 50.35 H new ATOM 0 HG21 ILE A 63 -6.985 -5.503 2.878 1.00 63.10 H new ATOM 0 HG22 ILE A 63 -6.904 -7.184 2.301 1.00 63.10 H new ATOM 0 HG23 ILE A 63 -7.766 -6.802 3.810 1.00 63.10 H new ATOM 0 HD11 ILE A 63 -4.251 -5.127 6.775 1.00 11.52 H new ATOM 0 HD12 ILE A 63 -4.131 -6.857 6.373 1.00 11.52 H new ATOM 0 HD13 ILE A 63 -3.391 -5.642 5.305 1.00 11.52 H new ATOM 990 N TYR A 64 -5.971 -8.801 6.792 1.00 53.43 N ATOM 991 CA TYR A 64 -6.750 -9.200 7.990 1.00 74.13 C ATOM 992 C TYR A 64 -6.718 -8.099 9.079 1.00 41.30 C ATOM 993 O TYR A 64 -5.948 -7.136 8.994 1.00 12.35 O ATOM 994 CB TYR A 64 -6.170 -10.521 8.567 1.00 31.34 C ATOM 995 CG TYR A 64 -6.401 -11.758 7.692 1.00 41.00 C ATOM 996 CD1 TYR A 64 -5.489 -12.131 6.703 1.00 5.42 C ATOM 997 CD2 TYR A 64 -7.540 -12.552 7.858 1.00 1.14 C ATOM 998 CE1 TYR A 64 -5.705 -13.247 5.918 1.00 31.41 C ATOM 999 CE2 TYR A 64 -7.757 -13.666 7.075 1.00 21.33 C ATOM 1000 CZ TYR A 64 -6.841 -14.010 6.106 1.00 1.43 C ATOM 1001 OH TYR A 64 -7.067 -15.119 5.322 1.00 54.11 O ATOM 0 H TYR A 64 -4.983 -8.654 6.996 1.00 53.43 H new ATOM 0 HA TYR A 64 -7.787 -9.346 7.689 1.00 74.13 H new ATOM 0 HB2 TYR A 64 -5.098 -10.395 8.719 1.00 31.34 H new ATOM 0 HB3 TYR A 64 -6.612 -10.698 9.547 1.00 31.34 H new ATOM 0 HD1 TYR A 64 -4.600 -11.537 6.549 1.00 5.42 H new ATOM 0 HD2 TYR A 64 -8.264 -12.287 8.614 1.00 1.14 H new ATOM 0 HE1 TYR A 64 -4.987 -13.522 5.159 1.00 31.41 H new ATOM 0 HE2 TYR A 64 -8.642 -14.267 7.221 1.00 21.33 H new ATOM 0 HH TYR A 64 -7.911 -15.541 5.588 1.00 54.11 H new ATOM 1011 N ASN A 65 -7.571 -8.264 10.106 1.00 72.42 N ATOM 1012 CA ASN A 65 -7.616 -7.372 11.287 1.00 54.33 C ATOM 1013 C ASN A 65 -6.515 -7.753 12.300 1.00 63.13 C ATOM 1014 O ASN A 65 -6.206 -8.932 12.449 1.00 65.02 O ATOM 1015 CB ASN A 65 -9.020 -7.444 11.946 1.00 65.55 C ATOM 1016 CG ASN A 65 -9.160 -6.569 13.195 1.00 33.25 C ATOM 1017 OD1 ASN A 65 -8.949 -7.031 14.314 1.00 72.33 O ATOM 1018 ND2 ASN A 65 -9.482 -5.296 13.015 1.00 54.34 N ATOM 0 H ASN A 65 -8.253 -9.022 10.144 1.00 72.42 H new ATOM 0 HA ASN A 65 -7.432 -6.348 10.963 1.00 54.33 H new ATOM 0 HB2 ASN A 65 -9.770 -7.142 11.215 1.00 65.55 H new ATOM 0 HB3 ASN A 65 -9.234 -8.479 12.213 1.00 65.55 H new ATOM 0 HD21 ASN A 65 -9.560 -4.671 13.818 1.00 54.34 H new ATOM 0 HD22 ASN A 65 -9.651 -4.941 12.074 1.00 54.34 H new ATOM 1025 N GLU A 66 -5.963 -6.734 12.993 1.00 14.30 N ATOM 1026 CA GLU A 66 -4.890 -6.868 14.023 1.00 43.21 C ATOM 1027 C GLU A 66 -5.034 -8.082 14.988 1.00 53.45 C ATOM 1028 O GLU A 66 -4.027 -8.644 15.424 1.00 52.13 O ATOM 1029 CB GLU A 66 -4.828 -5.557 14.835 1.00 0.44 C ATOM 1030 CG GLU A 66 -6.162 -5.150 15.507 1.00 1.23 C ATOM 1031 CD GLU A 66 -6.122 -3.735 16.103 1.00 53.01 C ATOM 1032 OE1 GLU A 66 -5.610 -3.571 17.237 1.00 62.23 O ATOM 1033 OE2 GLU A 66 -6.577 -2.779 15.432 1.00 31.01 O ATOM 0 H GLU A 66 -6.254 -5.766 12.854 1.00 14.30 H new ATOM 0 HA GLU A 66 -3.966 -7.059 13.477 1.00 43.21 H new ATOM 0 HB2 GLU A 66 -4.064 -5.659 15.606 1.00 0.44 H new ATOM 0 HB3 GLU A 66 -4.509 -4.751 14.174 1.00 0.44 H new ATOM 0 HG2 GLU A 66 -6.965 -5.207 14.773 1.00 1.23 H new ATOM 0 HG3 GLU A 66 -6.399 -5.865 16.295 1.00 1.23 H new ATOM 1327 N LYS B 3 5.583 -8.065 9.206 1.00 50.43 N ATOM 1328 CA LYS B 3 6.610 -7.031 9.551 1.00 34.03 C ATOM 1329 C LYS B 3 7.969 -7.284 8.835 1.00 22.21 C ATOM 1330 O LYS B 3 8.633 -6.346 8.380 1.00 62.44 O ATOM 1331 CB LYS B 3 6.833 -6.990 11.086 1.00 74.13 C ATOM 1332 CG LYS B 3 5.603 -6.609 11.956 1.00 30.24 C ATOM 1333 CD LYS B 3 5.099 -5.146 11.760 1.00 12.12 C ATOM 1334 CE LYS B 3 4.020 -4.992 10.664 1.00 51.42 C ATOM 1335 NZ LYS B 3 2.796 -5.792 10.960 1.00 21.20 N ATOM 0 HA LYS B 3 6.226 -6.072 9.204 1.00 34.03 H new ATOM 0 HB2 LYS B 3 7.186 -7.970 11.406 1.00 74.13 H new ATOM 0 HB3 LYS B 3 7.632 -6.279 11.296 1.00 74.13 H new ATOM 0 HG2 LYS B 3 4.787 -7.294 11.728 1.00 30.24 H new ATOM 0 HG3 LYS B 3 5.858 -6.754 13.006 1.00 30.24 H new ATOM 0 HD2 LYS B 3 4.696 -4.782 12.705 1.00 12.12 H new ATOM 0 HD3 LYS B 3 5.949 -4.511 11.510 1.00 12.12 H new ATOM 0 HE2 LYS B 3 3.750 -3.940 10.568 1.00 51.42 H new ATOM 0 HE3 LYS B 3 4.432 -5.304 9.704 1.00 51.42 H new ATOM 0 HZ1 LYS B 3 2.025 -5.494 10.328 1.00 21.20 H new ATOM 0 HZ2 LYS B 3 2.996 -6.801 10.810 1.00 21.20 H new ATOM 0 HZ3 LYS B 3 2.512 -5.639 11.949 1.00 21.20 H new ATOM 1349 N LYS B 4 8.342 -8.571 8.739 1.00 50.42 N ATOM 1350 CA LYS B 4 9.569 -9.026 8.046 1.00 50.42 C ATOM 1351 C LYS B 4 9.411 -8.941 6.511 1.00 40.22 C ATOM 1352 O LYS B 4 10.282 -8.413 5.809 1.00 42.13 O ATOM 1353 CB LYS B 4 9.881 -10.487 8.458 1.00 44.25 C ATOM 1354 CG LYS B 4 10.143 -10.675 9.964 1.00 21.42 C ATOM 1355 CD LYS B 4 10.422 -12.149 10.344 1.00 54.11 C ATOM 1356 CE LYS B 4 10.855 -12.304 11.812 1.00 3.32 C ATOM 1357 NZ LYS B 4 12.121 -11.570 12.102 1.00 42.14 N ATOM 0 H LYS B 4 7.799 -9.335 9.142 1.00 50.42 H new ATOM 0 HA LYS B 4 10.391 -8.372 8.338 1.00 50.42 H new ATOM 0 HB2 LYS B 4 9.045 -11.122 8.164 1.00 44.25 H new ATOM 0 HB3 LYS B 4 10.754 -10.831 7.903 1.00 44.25 H new ATOM 0 HG2 LYS B 4 10.994 -10.061 10.260 1.00 21.42 H new ATOM 0 HG3 LYS B 4 9.280 -10.317 10.526 1.00 21.42 H new ATOM 0 HD2 LYS B 4 9.525 -12.743 10.168 1.00 54.11 H new ATOM 0 HD3 LYS B 4 11.201 -12.548 9.694 1.00 54.11 H new ATOM 0 HE2 LYS B 4 10.064 -11.934 12.464 1.00 3.32 H new ATOM 0 HE3 LYS B 4 10.988 -13.361 12.041 1.00 3.32 H new ATOM 0 HZ1 LYS B 4 12.512 -11.897 13.008 1.00 42.14 H new ATOM 0 HZ2 LYS B 4 12.809 -11.750 11.343 1.00 42.14 H new ATOM 0 HZ3 LYS B 4 11.926 -10.550 12.157 1.00 42.14 H new ATOM 1371 N ILE B 5 8.279 -9.481 6.027 1.00 11.25 N ATOM 1372 CA ILE B 5 7.945 -9.561 4.587 1.00 12.23 C ATOM 1373 C ILE B 5 7.900 -8.158 3.926 1.00 4.21 C ATOM 1374 O ILE B 5 8.669 -7.879 3.012 1.00 33.14 O ATOM 1375 CB ILE B 5 6.562 -10.298 4.385 1.00 21.44 C ATOM 1376 CG1 ILE B 5 6.588 -11.716 5.050 1.00 71.50 C ATOM 1377 CG2 ILE B 5 6.181 -10.400 2.887 1.00 31.32 C ATOM 1378 CD1 ILE B 5 5.265 -12.475 5.009 1.00 64.12 C ATOM 0 H ILE B 5 7.559 -9.880 6.629 1.00 11.25 H new ATOM 0 HA ILE B 5 8.734 -10.133 4.100 1.00 12.23 H new ATOM 0 HB ILE B 5 5.796 -9.699 4.877 1.00 21.44 H new ATOM 0 HG12 ILE B 5 7.350 -12.318 4.555 1.00 71.50 H new ATOM 0 HG13 ILE B 5 6.894 -11.607 6.090 1.00 71.50 H new ATOM 0 HG21 ILE B 5 5.224 -10.913 2.789 1.00 31.32 H new ATOM 0 HG22 ILE B 5 6.101 -9.399 2.463 1.00 31.32 H new ATOM 0 HG23 ILE B 5 6.949 -10.960 2.354 1.00 31.32 H new ATOM 0 HD11 ILE B 5 5.386 -13.444 5.494 1.00 64.12 H new ATOM 0 HD12 ILE B 5 4.500 -11.901 5.531 1.00 64.12 H new ATOM 0 HD13 ILE B 5 4.963 -12.624 3.972 1.00 64.12 H new ATOM 1390 N VAL B 6 7.009 -7.287 4.429 1.00 20.31 N ATOM 1391 CA VAL B 6 6.795 -5.914 3.904 1.00 14.31 C ATOM 1392 C VAL B 6 8.078 -5.046 3.962 1.00 71.25 C ATOM 1393 O VAL B 6 8.259 -4.167 3.128 1.00 2.15 O ATOM 1394 CB VAL B 6 5.611 -5.198 4.663 1.00 60.23 C ATOM 1395 CG1 VAL B 6 4.337 -6.067 4.615 1.00 44.34 C ATOM 1396 CG2 VAL B 6 5.983 -4.851 6.128 1.00 25.05 C ATOM 0 H VAL B 6 6.407 -7.512 5.221 1.00 20.31 H new ATOM 0 HA VAL B 6 6.528 -6.022 2.853 1.00 14.31 H new ATOM 0 HB VAL B 6 5.416 -4.257 4.149 1.00 60.23 H new ATOM 0 HG11 VAL B 6 3.530 -5.559 5.143 1.00 44.34 H new ATOM 0 HG12 VAL B 6 4.046 -6.229 3.577 1.00 44.34 H new ATOM 0 HG13 VAL B 6 4.534 -7.028 5.091 1.00 44.34 H new ATOM 0 HG21 VAL B 6 5.138 -4.360 6.611 1.00 25.05 H new ATOM 0 HG22 VAL B 6 6.228 -5.766 6.668 1.00 25.05 H new ATOM 0 HG23 VAL B 6 6.844 -4.183 6.136 1.00 25.05 H new ATOM 1406 N GLY B 7 8.962 -5.331 4.942 1.00 25.41 N ATOM 1407 CA GLY B 7 10.278 -4.679 5.034 1.00 31.31 C ATOM 1408 C GLY B 7 11.219 -5.075 3.886 1.00 75.51 C ATOM 1409 O GLY B 7 11.898 -4.222 3.301 1.00 34.25 O ATOM 0 H GLY B 7 8.783 -6.011 5.681 1.00 25.41 H new ATOM 0 HA2 GLY B 7 10.144 -3.597 5.031 1.00 31.31 H new ATOM 0 HA3 GLY B 7 10.742 -4.940 5.985 1.00 31.31 H new ATOM 1413 N ALA B 8 11.232 -6.383 3.565 1.00 3.13 N ATOM 1414 CA ALA B 8 12.018 -6.952 2.444 1.00 70.40 C ATOM 1415 C ALA B 8 11.536 -6.423 1.065 1.00 2.34 C ATOM 1416 O ALA B 8 12.351 -6.122 0.185 1.00 2.31 O ATOM 1417 CB ALA B 8 11.939 -8.487 2.485 1.00 51.13 C ATOM 0 H ALA B 8 10.695 -7.083 4.077 1.00 3.13 H new ATOM 0 HA ALA B 8 13.053 -6.634 2.566 1.00 70.40 H new ATOM 0 HB1 ALA B 8 12.517 -8.903 1.660 1.00 51.13 H new ATOM 0 HB2 ALA B 8 12.344 -8.847 3.431 1.00 51.13 H new ATOM 0 HB3 ALA B 8 10.899 -8.800 2.393 1.00 51.13 H new ATOM 1423 N ASN B 9 10.201 -6.324 0.894 1.00 1.43 N ATOM 1424 CA ASN B 9 9.583 -5.754 -0.325 1.00 1.25 C ATOM 1425 C ASN B 9 9.878 -4.235 -0.448 1.00 42.35 C ATOM 1426 O ASN B 9 10.212 -3.749 -1.529 1.00 23.25 O ATOM 1427 CB ASN B 9 8.047 -6.002 -0.340 1.00 34.14 C ATOM 1428 CG ASN B 9 7.663 -7.481 -0.508 1.00 13.20 C ATOM 1429 OD1 ASN B 9 7.543 -7.987 -1.614 1.00 74.54 O ATOM 1430 ND2 ASN B 9 7.426 -8.179 0.578 1.00 72.03 N ATOM 0 H ASN B 9 9.524 -6.634 1.591 1.00 1.43 H new ATOM 0 HA ASN B 9 10.026 -6.261 -1.182 1.00 1.25 H new ATOM 0 HB2 ASN B 9 7.618 -5.627 0.589 1.00 34.14 H new ATOM 0 HB3 ASN B 9 7.602 -5.426 -1.151 1.00 34.14 H new ATOM 0 HD21 ASN B 9 7.138 -9.155 0.504 1.00 72.03 H new ATOM 0 HD22 ASN B 9 7.530 -7.746 1.496 1.00 72.03 H new ATOM 1437 N ALA B 10 9.810 -3.515 0.691 1.00 62.54 N ATOM 1438 CA ALA B 10 9.921 -2.034 0.736 1.00 11.44 C ATOM 1439 C ALA B 10 11.342 -1.530 0.404 1.00 64.43 C ATOM 1440 O ALA B 10 11.498 -0.505 -0.266 1.00 1.11 O ATOM 1441 CB ALA B 10 9.493 -1.522 2.117 1.00 41.11 C ATOM 0 H ALA B 10 9.677 -3.940 1.608 1.00 62.54 H new ATOM 0 HA ALA B 10 9.256 -1.639 -0.032 1.00 11.44 H new ATOM 0 HB1 ALA B 10 9.576 -0.436 2.144 1.00 41.11 H new ATOM 0 HB2 ALA B 10 8.460 -1.811 2.308 1.00 41.11 H new ATOM 0 HB3 ALA B 10 10.138 -1.955 2.882 1.00 41.11 H new ATOM 1447 N GLY B 11 12.362 -2.266 0.885 1.00 0.41 N ATOM 1448 CA GLY B 11 13.770 -1.931 0.615 1.00 31.30 C ATOM 1449 C GLY B 11 14.122 -1.995 -0.876 1.00 25.33 C ATOM 1450 O GLY B 11 14.872 -1.159 -1.388 1.00 34.04 O ATOM 0 H GLY B 11 12.235 -3.097 1.463 1.00 0.41 H new ATOM 0 HA2 GLY B 11 13.978 -0.929 0.990 1.00 31.30 H new ATOM 0 HA3 GLY B 11 14.414 -2.617 1.165 1.00 31.30 H new ATOM 1454 N LYS B 12 13.551 -2.998 -1.565 1.00 34.42 N ATOM 1455 CA LYS B 12 13.710 -3.187 -3.024 1.00 32.11 C ATOM 1456 C LYS B 12 12.980 -2.075 -3.834 1.00 71.23 C ATOM 1457 O LYS B 12 13.551 -1.505 -4.774 1.00 45.34 O ATOM 1458 CB LYS B 12 13.174 -4.584 -3.420 1.00 11.43 C ATOM 1459 CG LYS B 12 13.273 -4.910 -4.927 1.00 63.32 C ATOM 1460 CD LYS B 12 12.689 -6.295 -5.274 1.00 53.23 C ATOM 1461 CE LYS B 12 13.484 -7.461 -4.670 1.00 22.44 C ATOM 1462 NZ LYS B 12 14.882 -7.502 -5.174 1.00 41.03 N ATOM 0 H LYS B 12 12.962 -3.706 -1.126 1.00 34.42 H new ATOM 0 HA LYS B 12 14.771 -3.117 -3.265 1.00 32.11 H new ATOM 0 HB2 LYS B 12 13.724 -5.341 -2.861 1.00 11.43 H new ATOM 0 HB3 LYS B 12 12.130 -4.658 -3.114 1.00 11.43 H new ATOM 0 HG2 LYS B 12 12.745 -4.144 -5.496 1.00 63.32 H new ATOM 0 HG3 LYS B 12 14.318 -4.873 -5.235 1.00 63.32 H new ATOM 0 HD2 LYS B 12 11.659 -6.346 -4.921 1.00 53.23 H new ATOM 0 HD3 LYS B 12 12.660 -6.408 -6.358 1.00 53.23 H new ATOM 0 HE2 LYS B 12 13.493 -7.370 -3.584 1.00 22.44 H new ATOM 0 HE3 LYS B 12 12.985 -8.401 -4.907 1.00 22.44 H new ATOM 0 HZ1 LYS B 12 15.332 -8.392 -4.878 1.00 41.03 H new ATOM 0 HZ2 LYS B 12 14.879 -7.444 -6.212 1.00 41.03 H new ATOM 0 HZ3 LYS B 12 15.415 -6.699 -4.784 1.00 41.03 H new ATOM 1476 N VAL B 13 11.716 -1.783 -3.451 1.00 53.43 N ATOM 1477 CA VAL B 13 10.888 -0.724 -4.089 1.00 64.54 C ATOM 1478 C VAL B 13 11.562 0.671 -3.984 1.00 12.34 C ATOM 1479 O VAL B 13 11.654 1.410 -4.973 1.00 74.04 O ATOM 1480 CB VAL B 13 9.438 -0.685 -3.461 1.00 40.14 C ATOM 1481 CG1 VAL B 13 8.612 0.515 -3.985 1.00 43.42 C ATOM 1482 CG2 VAL B 13 8.684 -2.016 -3.723 1.00 70.20 C ATOM 0 H VAL B 13 11.239 -2.271 -2.693 1.00 53.43 H new ATOM 0 HA VAL B 13 10.801 -0.974 -5.146 1.00 64.54 H new ATOM 0 HB VAL B 13 9.559 -0.558 -2.385 1.00 40.14 H new ATOM 0 HG11 VAL B 13 7.623 0.503 -3.528 1.00 43.42 H new ATOM 0 HG12 VAL B 13 9.119 1.445 -3.729 1.00 43.42 H new ATOM 0 HG13 VAL B 13 8.512 0.443 -5.068 1.00 43.42 H new ATOM 0 HG21 VAL B 13 7.689 -1.964 -3.281 1.00 70.20 H new ATOM 0 HG22 VAL B 13 8.596 -2.179 -4.797 1.00 70.20 H new ATOM 0 HG23 VAL B 13 9.237 -2.842 -3.275 1.00 70.20 H new ATOM 1492 N TRP B 14 12.061 0.993 -2.777 1.00 32.13 N ATOM 1493 CA TRP B 14 12.728 2.285 -2.502 1.00 35.45 C ATOM 1494 C TRP B 14 14.084 2.394 -3.243 1.00 55.44 C ATOM 1495 O TRP B 14 14.495 3.491 -3.636 1.00 13.23 O ATOM 1496 CB TRP B 14 12.907 2.526 -0.981 1.00 5.12 C ATOM 1497 CG TRP B 14 13.142 3.986 -0.641 1.00 24.15 C ATOM 1498 CD1 TRP B 14 12.196 4.958 -0.453 1.00 4.20 C ATOM 1499 CD2 TRP B 14 14.406 4.634 -0.492 1.00 14.33 C ATOM 1500 NE1 TRP B 14 12.801 6.159 -0.203 1.00 20.24 N ATOM 1501 CE2 TRP B 14 14.157 5.985 -0.216 1.00 20.45 C ATOM 1502 CE3 TRP B 14 15.719 4.187 -0.564 1.00 33.12 C ATOM 1503 CZ2 TRP B 14 15.183 6.902 -0.013 1.00 45.44 C ATOM 1504 CZ3 TRP B 14 16.742 5.091 -0.362 1.00 52.41 C ATOM 1505 CH2 TRP B 14 16.468 6.438 -0.088 1.00 41.04 C ATOM 0 H TRP B 14 12.016 0.373 -1.969 1.00 32.13 H new ATOM 0 HA TRP B 14 12.074 3.068 -2.886 1.00 35.45 H new ATOM 0 HB2 TRP B 14 12.020 2.173 -0.455 1.00 5.12 H new ATOM 0 HB3 TRP B 14 13.748 1.934 -0.620 1.00 5.12 H new ATOM 0 HD1 TRP B 14 11.129 4.800 -0.496 1.00 4.20 H new ATOM 0 HE1 TRP B 14 12.319 7.042 -0.034 1.00 20.24 H new ATOM 0 HE3 TRP B 14 15.936 3.150 -0.774 1.00 33.12 H new ATOM 0 HZ2 TRP B 14 14.973 7.941 0.196 1.00 45.44 H new ATOM 0 HZ3 TRP B 14 17.767 4.756 -0.416 1.00 52.41 H new ATOM 0 HH2 TRP B 14 17.288 7.124 0.067 1.00 41.04 H new ATOM 1516 N HIS B 15 14.771 1.247 -3.418 1.00 45.33 N ATOM 1517 CA HIS B 15 16.035 1.170 -4.192 1.00 70.34 C ATOM 1518 C HIS B 15 15.816 1.646 -5.660 1.00 54.45 C ATOM 1519 O HIS B 15 16.688 2.279 -6.266 1.00 54.53 O ATOM 1520 CB HIS B 15 16.598 -0.274 -4.154 1.00 41.44 C ATOM 1521 CG HIS B 15 18.045 -0.394 -4.565 1.00 24.41 C ATOM 1522 ND1 HIS B 15 19.067 -0.582 -3.656 1.00 43.41 N ATOM 1523 CD2 HIS B 15 18.640 -0.360 -5.783 1.00 54.03 C ATOM 1524 CE1 HIS B 15 20.215 -0.653 -4.290 1.00 33.32 C ATOM 1525 NE2 HIS B 15 19.986 -0.523 -5.577 1.00 12.25 N ATOM 0 H HIS B 15 14.471 0.352 -3.031 1.00 45.33 H new ATOM 0 HA HIS B 15 16.765 1.836 -3.733 1.00 70.34 H new ATOM 0 HB2 HIS B 15 16.487 -0.667 -3.143 1.00 41.44 H new ATOM 0 HB3 HIS B 15 15.994 -0.903 -4.809 1.00 41.44 H new ATOM 0 HD2 HIS B 15 18.147 -0.229 -6.735 1.00 54.03 H new ATOM 0 HE1 HIS B 15 21.183 -0.794 -3.831 1.00 33.32 H new ATOM 0 HE2 HIS B 15 20.697 -0.541 -6.308 1.00 12.25 H new ATOM 1534 N ALA B 16 14.629 1.327 -6.195 1.00 1.24 N ATOM 1535 CA ALA B 16 14.184 1.761 -7.538 1.00 51.53 C ATOM 1536 C ALA B 16 13.819 3.270 -7.573 1.00 25.44 C ATOM 1537 O ALA B 16 13.937 3.916 -8.615 1.00 12.11 O ATOM 1538 CB ALA B 16 12.995 0.901 -7.999 1.00 50.22 C ATOM 0 H ALA B 16 13.940 0.755 -5.707 1.00 1.24 H new ATOM 0 HA ALA B 16 15.017 1.621 -8.227 1.00 51.53 H new ATOM 0 HB1 ALA B 16 12.673 1.226 -8.988 1.00 50.22 H new ATOM 0 HB2 ALA B 16 13.298 -0.145 -8.042 1.00 50.22 H new ATOM 0 HB3 ALA B 16 12.171 1.012 -7.294 1.00 50.22 H new ATOM 1544 N LEU B 17 13.355 3.801 -6.424 1.00 33.10 N ATOM 1545 CA LEU B 17 12.972 5.229 -6.261 1.00 21.41 C ATOM 1546 C LEU B 17 14.196 6.175 -6.212 1.00 72.43 C ATOM 1547 O LEU B 17 14.153 7.272 -6.776 1.00 0.14 O ATOM 1548 CB LEU B 17 12.110 5.392 -4.984 1.00 43.53 C ATOM 1549 CG LEU B 17 10.708 4.709 -5.038 1.00 45.01 C ATOM 1550 CD1 LEU B 17 10.054 4.668 -3.644 1.00 35.45 C ATOM 1551 CD2 LEU B 17 9.802 5.421 -6.070 1.00 61.12 C ATOM 0 H LEU B 17 13.232 3.252 -5.573 1.00 33.10 H new ATOM 0 HA LEU B 17 12.393 5.516 -7.139 1.00 21.41 H new ATOM 0 HB2 LEU B 17 12.663 4.985 -4.137 1.00 43.53 H new ATOM 0 HB3 LEU B 17 11.971 6.456 -4.792 1.00 43.53 H new ATOM 0 HG LEU B 17 10.841 3.676 -5.361 1.00 45.01 H new ATOM 0 HD11 LEU B 17 9.079 4.187 -3.714 1.00 35.45 H new ATOM 0 HD12 LEU B 17 10.689 4.104 -2.961 1.00 35.45 H new ATOM 0 HD13 LEU B 17 9.931 5.684 -3.270 1.00 35.45 H new ATOM 0 HD21 LEU B 17 8.828 4.933 -6.096 1.00 61.12 H new ATOM 0 HD22 LEU B 17 9.677 6.466 -5.785 1.00 61.12 H new ATOM 0 HD23 LEU B 17 10.262 5.366 -7.057 1.00 61.12 H new ATOM 1563 N ASN B 18 15.287 5.766 -5.529 1.00 10.54 N ATOM 1564 CA ASN B 18 16.535 6.573 -5.508 1.00 61.31 C ATOM 1565 C ASN B 18 17.300 6.469 -6.854 1.00 15.02 C ATOM 1566 O ASN B 18 18.215 7.250 -7.119 1.00 23.15 O ATOM 1567 CB ASN B 18 17.439 6.193 -4.307 1.00 73.43 C ATOM 1568 CG ASN B 18 18.001 4.776 -4.355 1.00 51.11 C ATOM 1569 OD1 ASN B 18 17.470 3.872 -3.740 1.00 61.34 O ATOM 1570 ND2 ASN B 18 19.089 4.571 -5.076 1.00 34.11 N ATOM 0 H ASN B 18 15.334 4.899 -4.993 1.00 10.54 H new ATOM 0 HA ASN B 18 16.247 7.616 -5.378 1.00 61.31 H new ATOM 0 HB2 ASN B 18 18.270 6.897 -4.258 1.00 73.43 H new ATOM 0 HB3 ASN B 18 16.866 6.311 -3.387 1.00 73.43 H new ATOM 0 HD21 ASN B 18 19.500 3.639 -5.125 1.00 34.11 H new ATOM 0 HD22 ASN B 18 19.518 5.345 -5.584 1.00 34.11 H new ATOM 1577 N GLU B 19 16.930 5.480 -7.683 1.00 1.43 N ATOM 1578 CA GLU B 19 17.380 5.387 -9.091 1.00 42.15 C ATOM 1579 C GLU B 19 16.518 6.318 -9.987 1.00 14.33 C ATOM 1580 O GLU B 19 17.049 7.074 -10.819 1.00 41.40 O ATOM 1581 CB GLU B 19 17.290 3.904 -9.567 1.00 53.13 C ATOM 1582 CG GLU B 19 17.523 3.660 -11.079 1.00 35.53 C ATOM 1583 CD GLU B 19 18.909 4.099 -11.591 1.00 71.02 C ATOM 1584 OE1 GLU B 19 19.902 3.379 -11.347 1.00 43.51 O ATOM 1585 OE2 GLU B 19 19.010 5.148 -12.265 1.00 22.53 O ATOM 0 H GLU B 19 16.311 4.720 -7.401 1.00 1.43 H new ATOM 0 HA GLU B 19 18.417 5.713 -9.169 1.00 42.15 H new ATOM 0 HB2 GLU B 19 18.021 3.319 -9.008 1.00 53.13 H new ATOM 0 HB3 GLU B 19 16.305 3.518 -9.305 1.00 53.13 H new ATOM 0 HG2 GLU B 19 17.392 2.598 -11.287 1.00 35.53 H new ATOM 0 HG3 GLU B 19 16.756 4.192 -11.642 1.00 35.53 H new ATOM 1592 N ALA B 20 15.188 6.261 -9.778 1.00 55.12 N ATOM 1593 CA ALA B 20 14.198 7.032 -10.558 1.00 75.24 C ATOM 1594 C ALA B 20 12.856 7.136 -9.786 1.00 51.42 C ATOM 1595 O ALA B 20 12.065 6.186 -9.761 1.00 24.40 O ATOM 1596 CB ALA B 20 13.986 6.391 -11.944 1.00 32.22 C ATOM 0 H ALA B 20 14.767 5.674 -9.058 1.00 55.12 H new ATOM 0 HA ALA B 20 14.583 8.041 -10.705 1.00 75.24 H new ATOM 0 HB1 ALA B 20 13.254 6.972 -12.505 1.00 32.22 H new ATOM 0 HB2 ALA B 20 14.931 6.377 -12.487 1.00 32.22 H new ATOM 0 HB3 ALA B 20 13.623 5.371 -11.821 1.00 32.22 H new ATOM 1602 N ASP B 21 12.639 8.271 -9.107 1.00 31.03 N ATOM 1603 CA ASP B 21 11.378 8.557 -8.382 1.00 25.20 C ATOM 1604 C ASP B 21 10.321 9.179 -9.322 1.00 42.10 C ATOM 1605 O ASP B 21 10.661 9.727 -10.376 1.00 75.05 O ATOM 1606 CB ASP B 21 11.661 9.488 -7.176 1.00 22.01 C ATOM 1607 CG ASP B 21 12.403 10.781 -7.568 1.00 61.34 C ATOM 1608 OD1 ASP B 21 11.741 11.778 -7.933 1.00 72.23 O ATOM 1609 OD2 ASP B 21 13.655 10.797 -7.529 1.00 70.11 O ATOM 0 H ASP B 21 13.328 9.021 -9.041 1.00 31.03 H new ATOM 0 HA ASP B 21 10.972 7.616 -8.011 1.00 25.20 H new ATOM 0 HB2 ASP B 21 10.717 9.749 -6.698 1.00 22.01 H new ATOM 0 HB3 ASP B 21 12.253 8.946 -6.438 1.00 22.01 H new ATOM 1614 N GLY B 22 9.041 9.102 -8.921 1.00 45.32 N ATOM 1615 CA GLY B 22 7.937 9.651 -9.721 1.00 34.04 C ATOM 1616 C GLY B 22 7.465 8.689 -10.810 1.00 1.34 C ATOM 1617 O GLY B 22 7.606 8.966 -12.004 1.00 4.31 O ATOM 0 H GLY B 22 8.747 8.665 -8.048 1.00 45.32 H new ATOM 0 HA2 GLY B 22 7.100 9.889 -9.064 1.00 34.04 H new ATOM 0 HA3 GLY B 22 8.257 10.586 -10.181 1.00 34.04 H new ATOM 1621 N ILE B 23 6.915 7.540 -10.378 1.00 75.00 N ATOM 1622 CA ILE B 23 6.467 6.453 -11.283 1.00 34.13 C ATOM 1623 C ILE B 23 5.221 5.732 -10.705 1.00 33.43 C ATOM 1624 O ILE B 23 5.142 5.502 -9.492 1.00 52.41 O ATOM 1625 CB ILE B 23 7.643 5.425 -11.533 1.00 13.23 C ATOM 1626 CG1 ILE B 23 7.194 4.274 -12.491 1.00 50.02 C ATOM 1627 CG2 ILE B 23 8.207 4.866 -10.200 1.00 25.01 C ATOM 1628 CD1 ILE B 23 8.265 3.251 -12.833 1.00 70.12 C ATOM 0 H ILE B 23 6.766 7.334 -9.390 1.00 75.00 H new ATOM 0 HA ILE B 23 6.186 6.896 -12.239 1.00 34.13 H new ATOM 0 HB ILE B 23 8.452 5.967 -12.023 1.00 13.23 H new ATOM 0 HG12 ILE B 23 6.352 3.754 -12.035 1.00 50.02 H new ATOM 0 HG13 ILE B 23 6.831 4.718 -13.418 1.00 50.02 H new ATOM 0 HG21 ILE B 23 9.013 4.163 -10.412 1.00 25.01 H new ATOM 0 HG22 ILE B 23 8.591 5.687 -9.595 1.00 25.01 H new ATOM 0 HG23 ILE B 23 7.414 4.354 -9.655 1.00 25.01 H new ATOM 0 HD11 ILE B 23 7.849 2.498 -13.502 1.00 70.12 H new ATOM 0 HD12 ILE B 23 9.101 3.750 -13.323 1.00 70.12 H new ATOM 0 HD13 ILE B 23 8.614 2.771 -11.919 1.00 70.12 H new ATOM 1640 N SER B 24 4.246 5.385 -11.578 1.00 73.33 N ATOM 1641 CA SER B 24 3.017 4.660 -11.164 1.00 33.40 C ATOM 1642 C SER B 24 3.349 3.260 -10.596 1.00 24.33 C ATOM 1643 O SER B 24 4.281 2.596 -11.070 1.00 14.43 O ATOM 1644 CB SER B 24 2.034 4.530 -12.351 1.00 74.34 C ATOM 1645 OG SER B 24 1.706 5.800 -12.890 1.00 41.53 O ATOM 0 H SER B 24 4.285 5.595 -12.575 1.00 73.33 H new ATOM 0 HA SER B 24 2.544 5.243 -10.374 1.00 33.40 H new ATOM 0 HB2 SER B 24 2.478 3.907 -13.127 1.00 74.34 H new ATOM 0 HB3 SER B 24 1.125 4.027 -12.020 1.00 74.34 H new ATOM 0 HG SER B 24 1.085 5.687 -13.639 1.00 41.53 H new ATOM 1651 N ILE B 25 2.551 2.827 -9.599 1.00 51.24 N ATOM 1652 CA ILE B 25 2.756 1.551 -8.857 1.00 42.11 C ATOM 1653 C ILE B 25 2.905 0.289 -9.776 1.00 51.12 C ATOM 1654 O ILE B 25 3.859 -0.462 -9.588 1.00 43.01 O ATOM 1655 CB ILE B 25 1.600 1.308 -7.807 1.00 62.13 C ATOM 1656 CG1 ILE B 25 1.519 2.505 -6.819 1.00 14.41 C ATOM 1657 CG2 ILE B 25 1.763 -0.042 -7.058 1.00 12.00 C ATOM 1658 CD1 ILE B 25 0.431 2.417 -5.766 1.00 21.34 C ATOM 0 H ILE B 25 1.738 3.352 -9.278 1.00 51.24 H new ATOM 0 HA ILE B 25 3.708 1.677 -8.341 1.00 42.11 H new ATOM 0 HB ILE B 25 0.658 1.243 -8.352 1.00 62.13 H new ATOM 0 HG12 ILE B 25 2.480 2.601 -6.314 1.00 14.41 H new ATOM 0 HG13 ILE B 25 1.368 3.418 -7.395 1.00 14.41 H new ATOM 0 HG21 ILE B 25 0.946 -0.165 -6.347 1.00 12.00 H new ATOM 0 HG22 ILE B 25 1.745 -0.861 -7.777 1.00 12.00 H new ATOM 0 HG23 ILE B 25 2.713 -0.049 -6.523 1.00 12.00 H new ATOM 0 HD11 ILE B 25 0.466 3.303 -5.132 1.00 21.34 H new ATOM 0 HD12 ILE B 25 -0.542 2.357 -6.253 1.00 21.34 H new ATOM 0 HD13 ILE B 25 0.587 1.528 -5.155 1.00 21.34 H new ATOM 1670 N PRO B 26 1.986 0.014 -10.785 1.00 11.30 N ATOM 1671 CA PRO B 26 2.072 -1.225 -11.611 1.00 74.51 C ATOM 1672 C PRO B 26 3.302 -1.281 -12.566 1.00 74.45 C ATOM 1673 O PRO B 26 3.733 -2.370 -12.961 1.00 10.33 O ATOM 1674 CB PRO B 26 0.732 -1.230 -12.398 1.00 41.00 C ATOM 1675 CG PRO B 26 0.328 0.211 -12.471 1.00 55.55 C ATOM 1676 CD PRO B 26 0.798 0.832 -11.176 1.00 31.22 C ATOM 0 HA PRO B 26 2.217 -2.104 -10.983 1.00 74.51 H new ATOM 0 HB2 PRO B 26 0.859 -1.657 -13.393 1.00 41.00 H new ATOM 0 HB3 PRO B 26 -0.024 -1.828 -11.889 1.00 41.00 H new ATOM 0 HG2 PRO B 26 0.785 0.703 -13.330 1.00 55.55 H new ATOM 0 HG3 PRO B 26 -0.752 0.310 -12.584 1.00 55.55 H new ATOM 0 HD2 PRO B 26 1.064 1.880 -11.311 1.00 31.22 H new ATOM 0 HD3 PRO B 26 0.021 0.796 -10.412 1.00 31.22 H new ATOM 1684 N GLU B 27 3.854 -0.107 -12.921 1.00 71.24 N ATOM 1685 CA GLU B 27 5.080 0.000 -13.756 1.00 12.42 C ATOM 1686 C GLU B 27 6.306 -0.358 -12.901 1.00 65.32 C ATOM 1687 O GLU B 27 7.120 -1.219 -13.248 1.00 72.43 O ATOM 1688 CB GLU B 27 5.234 1.447 -14.290 1.00 73.11 C ATOM 1689 CG GLU B 27 4.028 1.982 -15.076 1.00 50.12 C ATOM 1690 CD GLU B 27 4.287 3.376 -15.665 1.00 2.30 C ATOM 1691 OE1 GLU B 27 4.802 3.466 -16.802 1.00 60.43 O ATOM 1692 OE2 GLU B 27 4.018 4.381 -14.981 1.00 15.22 O ATOM 0 H GLU B 27 3.470 0.796 -12.642 1.00 71.24 H new ATOM 0 HA GLU B 27 5.001 -0.686 -14.600 1.00 12.42 H new ATOM 0 HB2 GLU B 27 5.422 2.111 -13.446 1.00 73.11 H new ATOM 0 HB3 GLU B 27 6.114 1.489 -14.932 1.00 73.11 H new ATOM 0 HG2 GLU B 27 3.786 1.289 -15.882 1.00 50.12 H new ATOM 0 HG3 GLU B 27 3.159 2.023 -14.420 1.00 50.12 H new ATOM 1699 N LEU B 28 6.372 0.337 -11.761 1.00 31.42 N ATOM 1700 CA LEU B 28 7.358 0.131 -10.685 1.00 11.43 C ATOM 1701 C LEU B 28 7.376 -1.340 -10.184 1.00 62.35 C ATOM 1702 O LEU B 28 8.440 -1.897 -9.901 1.00 4.31 O ATOM 1703 CB LEU B 28 6.967 1.112 -9.551 1.00 55.43 C ATOM 1704 CG LEU B 28 7.759 1.047 -8.218 1.00 75.22 C ATOM 1705 CD1 LEU B 28 9.256 1.370 -8.412 1.00 71.25 C ATOM 1706 CD2 LEU B 28 7.097 1.975 -7.174 1.00 71.23 C ATOM 0 H LEU B 28 5.716 1.089 -11.550 1.00 31.42 H new ATOM 0 HA LEU B 28 8.369 0.324 -11.045 1.00 11.43 H new ATOM 0 HB2 LEU B 28 7.057 2.125 -9.942 1.00 55.43 H new ATOM 0 HB3 LEU B 28 5.914 0.951 -9.320 1.00 55.43 H new ATOM 0 HG LEU B 28 7.722 0.023 -7.846 1.00 75.22 H new ATOM 0 HD11 LEU B 28 9.768 1.312 -7.452 1.00 71.25 H new ATOM 0 HD12 LEU B 28 9.697 0.651 -9.103 1.00 71.25 H new ATOM 0 HD13 LEU B 28 9.361 2.376 -8.819 1.00 71.25 H new ATOM 0 HD21 LEU B 28 7.655 1.927 -6.239 1.00 71.23 H new ATOM 0 HD22 LEU B 28 7.098 3.000 -7.545 1.00 71.23 H new ATOM 0 HD23 LEU B 28 6.070 1.653 -7.000 1.00 71.23 H new ATOM 1718 N ALA B 29 6.178 -1.954 -10.133 1.00 61.11 N ATOM 1719 CA ALA B 29 5.975 -3.351 -9.688 1.00 33.14 C ATOM 1720 C ALA B 29 6.737 -4.371 -10.572 1.00 32.03 C ATOM 1721 O ALA B 29 7.341 -5.318 -10.062 1.00 50.21 O ATOM 1722 CB ALA B 29 4.472 -3.675 -9.662 1.00 62.44 C ATOM 0 H ALA B 29 5.311 -1.489 -10.403 1.00 61.11 H new ATOM 0 HA ALA B 29 6.386 -3.439 -8.682 1.00 33.14 H new ATOM 0 HB1 ALA B 29 4.327 -4.704 -9.334 1.00 62.44 H new ATOM 0 HB2 ALA B 29 3.966 -3.000 -8.972 1.00 62.44 H new ATOM 0 HB3 ALA B 29 4.056 -3.551 -10.662 1.00 62.44 H new ATOM 1728 N ARG B 30 6.711 -4.152 -11.900 1.00 55.10 N ATOM 1729 CA ARG B 30 7.404 -5.022 -12.882 1.00 74.15 C ATOM 1730 C ARG B 30 8.938 -4.844 -12.830 1.00 32.42 C ATOM 1731 O ARG B 30 9.687 -5.779 -13.132 1.00 2.44 O ATOM 1732 CB ARG B 30 6.871 -4.756 -14.315 1.00 14.51 C ATOM 1733 CG ARG B 30 5.391 -5.164 -14.517 1.00 62.32 C ATOM 1734 CD ARG B 30 4.956 -5.138 -15.994 1.00 63.23 C ATOM 1735 NE ARG B 30 3.631 -5.776 -16.198 1.00 43.12 N ATOM 1736 CZ ARG B 30 3.378 -6.780 -17.021 1.00 44.45 C ATOM 1737 NH1 ARG B 30 4.314 -7.312 -17.750 1.00 14.20 N ATOM 1738 NH2 ARG B 30 2.177 -7.253 -17.092 1.00 12.22 N ATOM 0 H ARG B 30 6.212 -3.371 -12.326 1.00 55.10 H new ATOM 0 HA ARG B 30 7.188 -6.056 -12.612 1.00 74.15 H new ATOM 0 HB2 ARG B 30 6.980 -3.696 -14.542 1.00 14.51 H new ATOM 0 HB3 ARG B 30 7.489 -5.300 -15.029 1.00 14.51 H new ATOM 0 HG2 ARG B 30 5.238 -6.166 -14.117 1.00 62.32 H new ATOM 0 HG3 ARG B 30 4.753 -4.491 -13.944 1.00 62.32 H new ATOM 0 HD2 ARG B 30 4.918 -4.106 -16.342 1.00 63.23 H new ATOM 0 HD3 ARG B 30 5.702 -5.652 -16.600 1.00 63.23 H new ATOM 0 HE ARG B 30 2.848 -5.408 -15.657 1.00 43.12 H new ATOM 0 HH11 ARG B 30 5.268 -6.956 -17.695 1.00 14.20 H new ATOM 0 HH12 ARG B 30 4.094 -8.086 -18.377 1.00 14.20 H new ATOM 0 HH21 ARG B 30 1.436 -6.852 -16.517 1.00 12.22 H new ATOM 0 HH22 ARG B 30 1.970 -8.027 -17.723 1.00 12.22 H new ATOM 1752 N LYS B 31 9.388 -3.638 -12.438 1.00 51.44 N ATOM 1753 CA LYS B 31 10.828 -3.315 -12.279 1.00 52.12 C ATOM 1754 C LYS B 31 11.422 -3.982 -11.010 1.00 23.25 C ATOM 1755 O LYS B 31 12.587 -4.396 -10.999 1.00 43.12 O ATOM 1756 CB LYS B 31 11.013 -1.772 -12.232 1.00 3.04 C ATOM 1757 CG LYS B 31 10.464 -1.037 -13.481 1.00 34.21 C ATOM 1758 CD LYS B 31 10.729 0.489 -13.465 1.00 10.55 C ATOM 1759 CE LYS B 31 12.230 0.832 -13.498 1.00 42.31 C ATOM 1760 NZ LYS B 31 12.482 2.292 -13.586 1.00 74.54 N ATOM 0 H LYS B 31 8.769 -2.857 -12.221 1.00 51.44 H new ATOM 0 HA LYS B 31 11.370 -3.714 -13.136 1.00 52.12 H new ATOM 0 HB2 LYS B 31 10.514 -1.383 -11.345 1.00 3.04 H new ATOM 0 HB3 LYS B 31 12.074 -1.546 -12.126 1.00 3.04 H new ATOM 0 HG2 LYS B 31 10.917 -1.467 -14.374 1.00 34.21 H new ATOM 0 HG3 LYS B 31 9.390 -1.211 -13.553 1.00 34.21 H new ATOM 0 HD2 LYS B 31 10.237 0.948 -14.322 1.00 10.55 H new ATOM 0 HD3 LYS B 31 10.281 0.922 -12.571 1.00 10.55 H new ATOM 0 HE2 LYS B 31 12.708 0.438 -12.601 1.00 42.31 H new ATOM 0 HE3 LYS B 31 12.693 0.335 -14.351 1.00 42.31 H new ATOM 0 HZ1 LYS B 31 13.507 2.467 -13.605 1.00 74.54 H new ATOM 0 HZ2 LYS B 31 12.051 2.667 -14.455 1.00 74.54 H new ATOM 0 HZ3 LYS B 31 12.065 2.767 -12.760 1.00 74.54 H new ATOM 1774 N VAL B 32 10.604 -4.077 -9.946 1.00 32.45 N ATOM 1775 CA VAL B 32 10.989 -4.740 -8.672 1.00 50.24 C ATOM 1776 C VAL B 32 10.513 -6.220 -8.615 1.00 24.51 C ATOM 1777 O VAL B 32 10.730 -6.902 -7.614 1.00 43.52 O ATOM 1778 CB VAL B 32 10.452 -3.920 -7.435 1.00 34.14 C ATOM 1779 CG1 VAL B 32 11.025 -2.479 -7.443 1.00 34.55 C ATOM 1780 CG2 VAL B 32 8.907 -3.897 -7.377 1.00 22.14 C ATOM 0 H VAL B 32 9.657 -3.699 -9.938 1.00 32.45 H new ATOM 0 HA VAL B 32 12.078 -4.757 -8.628 1.00 50.24 H new ATOM 0 HB VAL B 32 10.799 -4.428 -6.535 1.00 34.14 H new ATOM 0 HG11 VAL B 32 10.643 -1.931 -6.582 1.00 34.55 H new ATOM 0 HG12 VAL B 32 12.113 -2.520 -7.393 1.00 34.55 H new ATOM 0 HG13 VAL B 32 10.723 -1.972 -8.360 1.00 34.55 H new ATOM 0 HG21 VAL B 32 8.584 -3.321 -6.510 1.00 22.14 H new ATOM 0 HG22 VAL B 32 8.516 -3.437 -8.284 1.00 22.14 H new ATOM 0 HG23 VAL B 32 8.531 -4.917 -7.296 1.00 22.14 H new ATOM 1790 N ASN B 33 9.867 -6.699 -9.709 1.00 15.45 N ATOM 1791 CA ASN B 33 9.382 -8.108 -9.860 1.00 2.23 C ATOM 1792 C ASN B 33 8.314 -8.520 -8.804 1.00 23.13 C ATOM 1793 O ASN B 33 8.027 -9.711 -8.632 1.00 12.22 O ATOM 1794 CB ASN B 33 10.575 -9.116 -9.862 1.00 75.50 C ATOM 1795 CG ASN B 33 11.528 -8.925 -11.044 1.00 23.45 C ATOM 1796 OD1 ASN B 33 11.124 -8.507 -12.125 1.00 0.31 O ATOM 1797 ND2 ASN B 33 12.793 -9.245 -10.857 1.00 34.35 N ATOM 0 H ASN B 33 9.663 -6.118 -10.522 1.00 15.45 H new ATOM 0 HA ASN B 33 8.882 -8.146 -10.828 1.00 2.23 H new ATOM 0 HB2 ASN B 33 11.134 -9.008 -8.933 1.00 75.50 H new ATOM 0 HB3 ASN B 33 10.182 -10.133 -9.882 1.00 75.50 H new ATOM 0 HD21 ASN B 33 13.462 -9.147 -11.621 1.00 34.35 H new ATOM 0 HD22 ASN B 33 13.103 -9.590 -9.949 1.00 34.35 H new ATOM 1804 N LEU B 34 7.714 -7.528 -8.128 1.00 63.30 N ATOM 1805 CA LEU B 34 6.667 -7.746 -7.105 1.00 73.11 C ATOM 1806 C LEU B 34 5.280 -7.430 -7.695 1.00 52.14 C ATOM 1807 O LEU B 34 5.173 -6.711 -8.692 1.00 1.15 O ATOM 1808 CB LEU B 34 6.957 -6.842 -5.872 1.00 20.12 C ATOM 1809 CG LEU B 34 8.378 -6.995 -5.229 1.00 74.34 C ATOM 1810 CD1 LEU B 34 8.612 -5.953 -4.112 1.00 44.52 C ATOM 1811 CD2 LEU B 34 8.614 -8.435 -4.722 1.00 51.44 C ATOM 0 H LEU B 34 7.940 -6.544 -8.273 1.00 63.30 H new ATOM 0 HA LEU B 34 6.675 -8.789 -6.790 1.00 73.11 H new ATOM 0 HB2 LEU B 34 6.824 -5.802 -6.169 1.00 20.12 H new ATOM 0 HB3 LEU B 34 6.209 -7.053 -5.108 1.00 20.12 H new ATOM 0 HG LEU B 34 9.113 -6.800 -6.010 1.00 74.34 H new ATOM 0 HD11 LEU B 34 9.607 -6.090 -3.690 1.00 44.52 H new ATOM 0 HD12 LEU B 34 8.529 -4.949 -4.528 1.00 44.52 H new ATOM 0 HD13 LEU B 34 7.865 -6.084 -3.330 1.00 44.52 H new ATOM 0 HD21 LEU B 34 9.609 -8.507 -4.282 1.00 51.44 H new ATOM 0 HD22 LEU B 34 7.865 -8.683 -3.970 1.00 51.44 H new ATOM 0 HD23 LEU B 34 8.535 -9.132 -5.556 1.00 51.44 H new ATOM 1823 N SER B 35 4.218 -7.983 -7.084 1.00 52.03 N ATOM 1824 CA SER B 35 2.816 -7.654 -7.460 1.00 33.33 C ATOM 1825 C SER B 35 2.497 -6.163 -7.193 1.00 5.25 C ATOM 1826 O SER B 35 3.153 -5.528 -6.368 1.00 64.24 O ATOM 1827 CB SER B 35 1.819 -8.539 -6.668 1.00 2.11 C ATOM 1828 OG SER B 35 2.054 -9.916 -6.903 1.00 51.24 O ATOM 0 H SER B 35 4.295 -8.661 -6.326 1.00 52.03 H new ATOM 0 HA SER B 35 2.710 -7.849 -8.527 1.00 33.33 H new ATOM 0 HB2 SER B 35 1.910 -8.329 -5.602 1.00 2.11 H new ATOM 0 HB3 SER B 35 0.798 -8.288 -6.956 1.00 2.11 H new ATOM 0 HG SER B 35 1.412 -10.450 -6.390 1.00 51.24 H new ATOM 1834 N VAL B 36 1.494 -5.620 -7.905 1.00 53.42 N ATOM 1835 CA VAL B 36 0.932 -4.263 -7.647 1.00 43.13 C ATOM 1836 C VAL B 36 0.595 -4.058 -6.151 1.00 62.22 C ATOM 1837 O VAL B 36 0.968 -3.057 -5.548 1.00 24.34 O ATOM 1838 CB VAL B 36 -0.365 -4.045 -8.515 1.00 24.21 C ATOM 1839 CG1 VAL B 36 -1.187 -2.796 -8.089 1.00 43.44 C ATOM 1840 CG2 VAL B 36 -0.020 -4.016 -10.016 1.00 42.52 C ATOM 0 H VAL B 36 1.042 -6.104 -8.681 1.00 53.42 H new ATOM 0 HA VAL B 36 1.691 -3.532 -7.925 1.00 43.13 H new ATOM 0 HB VAL B 36 -1.014 -4.901 -8.328 1.00 24.21 H new ATOM 0 HG11 VAL B 36 -2.066 -2.704 -8.727 1.00 43.44 H new ATOM 0 HG12 VAL B 36 -1.501 -2.904 -7.051 1.00 43.44 H new ATOM 0 HG13 VAL B 36 -0.571 -1.903 -8.190 1.00 43.44 H new ATOM 0 HG21 VAL B 36 -0.931 -3.864 -10.596 1.00 42.52 H new ATOM 0 HG22 VAL B 36 0.676 -3.201 -10.214 1.00 42.52 H new ATOM 0 HG23 VAL B 36 0.439 -4.962 -10.302 1.00 42.52 H new ATOM 1850 N GLU B 37 -0.103 -5.044 -5.588 1.00 72.24 N ATOM 1851 CA GLU B 37 -0.557 -5.038 -4.179 1.00 30.24 C ATOM 1852 C GLU B 37 0.643 -5.138 -3.201 1.00 1.21 C ATOM 1853 O GLU B 37 0.646 -4.505 -2.142 1.00 23.33 O ATOM 1854 CB GLU B 37 -1.573 -6.192 -3.936 1.00 63.33 C ATOM 1855 CG GLU B 37 -2.703 -6.306 -5.002 1.00 44.22 C ATOM 1856 CD GLU B 37 -2.305 -7.123 -6.257 1.00 20.20 C ATOM 1857 OE1 GLU B 37 -1.955 -8.318 -6.115 1.00 3.45 O ATOM 1858 OE2 GLU B 37 -2.298 -6.570 -7.379 1.00 13.02 O ATOM 0 H GLU B 37 -0.378 -5.885 -6.096 1.00 72.24 H new ATOM 0 HA GLU B 37 -1.058 -4.089 -3.985 1.00 30.24 H new ATOM 0 HB2 GLU B 37 -1.028 -7.135 -3.903 1.00 63.33 H new ATOM 0 HB3 GLU B 37 -2.030 -6.054 -2.956 1.00 63.33 H new ATOM 0 HG2 GLU B 37 -3.577 -6.768 -4.542 1.00 44.22 H new ATOM 0 HG3 GLU B 37 -2.998 -5.304 -5.312 1.00 44.22 H new ATOM 1865 N SER B 38 1.666 -5.931 -3.592 1.00 22.22 N ATOM 1866 CA SER B 38 2.949 -6.045 -2.844 1.00 30.42 C ATOM 1867 C SER B 38 3.711 -4.707 -2.813 1.00 32.43 C ATOM 1868 O SER B 38 4.221 -4.304 -1.775 1.00 15.30 O ATOM 1869 CB SER B 38 3.858 -7.129 -3.474 1.00 21.22 C ATOM 1870 OG SER B 38 3.229 -8.399 -3.471 1.00 42.42 O ATOM 0 H SER B 38 1.631 -6.510 -4.431 1.00 22.22 H new ATOM 0 HA SER B 38 2.696 -6.327 -1.822 1.00 30.42 H new ATOM 0 HB2 SER B 38 4.107 -6.847 -4.497 1.00 21.22 H new ATOM 0 HB3 SER B 38 4.796 -7.185 -2.922 1.00 21.22 H new ATOM 0 HG SER B 38 3.827 -9.061 -3.876 1.00 42.42 H new ATOM 1876 N THR B 39 3.743 -4.027 -3.971 1.00 53.41 N ATOM 1877 CA THR B 39 4.513 -2.779 -4.175 1.00 31.20 C ATOM 1878 C THR B 39 3.828 -1.571 -3.485 1.00 1.44 C ATOM 1879 O THR B 39 4.480 -0.826 -2.776 1.00 71.35 O ATOM 1880 CB THR B 39 4.714 -2.499 -5.707 1.00 34.24 C ATOM 1881 OG1 THR B 39 5.423 -3.600 -6.304 1.00 74.51 O ATOM 1882 CG2 THR B 39 5.488 -1.200 -5.989 1.00 71.23 C ATOM 0 H THR B 39 3.232 -4.327 -4.802 1.00 53.41 H new ATOM 0 HA THR B 39 5.492 -2.913 -3.714 1.00 31.20 H new ATOM 0 HB THR B 39 3.720 -2.386 -6.139 1.00 34.24 H new ATOM 0 HG1 THR B 39 4.812 -4.357 -6.423 1.00 74.51 H new ATOM 0 HG21 THR B 39 5.593 -1.065 -7.066 1.00 71.23 H new ATOM 0 HG22 THR B 39 4.944 -0.354 -5.569 1.00 71.23 H new ATOM 0 HG23 THR B 39 6.476 -1.259 -5.533 1.00 71.23 H new ATOM 1890 N ALA B 40 2.500 -1.422 -3.680 1.00 2.41 N ATOM 1891 CA ALA B 40 1.684 -0.309 -3.102 1.00 24.22 C ATOM 1892 C ALA B 40 1.730 -0.289 -1.557 1.00 43.03 C ATOM 1893 O ALA B 40 1.908 0.758 -0.927 1.00 35.13 O ATOM 1894 CB ALA B 40 0.228 -0.450 -3.573 1.00 74.31 C ATOM 0 H ALA B 40 1.951 -2.070 -4.245 1.00 2.41 H new ATOM 0 HA ALA B 40 2.110 0.631 -3.453 1.00 24.22 H new ATOM 0 HB1 ALA B 40 -0.370 0.359 -3.154 1.00 74.31 H new ATOM 0 HB2 ALA B 40 0.191 -0.402 -4.661 1.00 74.31 H new ATOM 0 HB3 ALA B 40 -0.172 -1.407 -3.238 1.00 74.31 H new ATOM 1900 N LEU B 41 1.555 -1.477 -0.980 1.00 3.55 N ATOM 1901 CA LEU B 41 1.594 -1.702 0.473 1.00 44.11 C ATOM 1902 C LEU B 41 3.051 -1.580 1.019 1.00 55.03 C ATOM 1903 O LEU B 41 3.260 -1.088 2.135 1.00 3.32 O ATOM 1904 CB LEU B 41 0.904 -3.078 0.747 1.00 60.24 C ATOM 1905 CG LEU B 41 0.932 -3.691 2.186 1.00 11.42 C ATOM 1906 CD1 LEU B 41 2.235 -4.464 2.440 1.00 2.41 C ATOM 1907 CD2 LEU B 41 0.675 -2.632 3.284 1.00 75.25 C ATOM 0 H LEU B 41 1.379 -2.328 -1.514 1.00 3.55 H new ATOM 0 HA LEU B 41 1.044 -0.936 1.019 1.00 44.11 H new ATOM 0 HB2 LEU B 41 -0.142 -2.981 0.456 1.00 60.24 H new ATOM 0 HB3 LEU B 41 1.355 -3.807 0.074 1.00 60.24 H new ATOM 0 HG LEU B 41 0.108 -4.402 2.242 1.00 11.42 H new ATOM 0 HD11 LEU B 41 2.222 -4.877 3.449 1.00 2.41 H new ATOM 0 HD12 LEU B 41 2.324 -5.275 1.717 1.00 2.41 H new ATOM 0 HD13 LEU B 41 3.085 -3.789 2.335 1.00 2.41 H new ATOM 0 HD21 LEU B 41 0.705 -3.109 4.264 1.00 75.25 H new ATOM 0 HD22 LEU B 41 1.443 -1.861 3.232 1.00 75.25 H new ATOM 0 HD23 LEU B 41 -0.305 -2.179 3.131 1.00 75.25 H new ATOM 1919 N ALA B 42 4.051 -2.017 0.226 1.00 52.20 N ATOM 1920 CA ALA B 42 5.488 -1.834 0.573 1.00 24.32 C ATOM 1921 C ALA B 42 5.865 -0.330 0.625 1.00 33.23 C ATOM 1922 O ALA B 42 6.670 0.091 1.459 1.00 34.12 O ATOM 1923 CB ALA B 42 6.382 -2.588 -0.418 1.00 44.10 C ATOM 0 H ALA B 42 3.897 -2.499 -0.659 1.00 52.20 H new ATOM 0 HA ALA B 42 5.651 -2.251 1.567 1.00 24.32 H new ATOM 0 HB1 ALA B 42 7.428 -2.442 -0.148 1.00 44.10 H new ATOM 0 HB2 ALA B 42 6.144 -3.651 -0.387 1.00 44.10 H new ATOM 0 HB3 ALA B 42 6.211 -2.207 -1.425 1.00 44.10 H new ATOM 1929 N VAL B 43 5.256 0.464 -0.274 1.00 61.22 N ATOM 1930 CA VAL B 43 5.337 1.940 -0.249 1.00 5.12 C ATOM 1931 C VAL B 43 4.644 2.513 1.019 1.00 3.22 C ATOM 1932 O VAL B 43 5.066 3.540 1.542 1.00 3.15 O ATOM 1933 CB VAL B 43 4.713 2.567 -1.552 1.00 72.42 C ATOM 1934 CG1 VAL B 43 4.640 4.106 -1.478 1.00 71.05 C ATOM 1935 CG2 VAL B 43 5.493 2.127 -2.814 1.00 63.11 C ATOM 0 H VAL B 43 4.691 0.101 -1.042 1.00 61.22 H new ATOM 0 HA VAL B 43 6.392 2.212 -0.215 1.00 5.12 H new ATOM 0 HB VAL B 43 3.693 2.190 -1.624 1.00 72.42 H new ATOM 0 HG11 VAL B 43 4.203 4.494 -2.398 1.00 71.05 H new ATOM 0 HG12 VAL B 43 4.022 4.401 -0.630 1.00 71.05 H new ATOM 0 HG13 VAL B 43 5.644 4.512 -1.353 1.00 71.05 H new ATOM 0 HG21 VAL B 43 5.039 2.576 -3.697 1.00 63.11 H new ATOM 0 HG22 VAL B 43 6.530 2.454 -2.733 1.00 63.11 H new ATOM 0 HG23 VAL B 43 5.461 1.041 -2.901 1.00 63.11 H new ATOM 1945 N GLY B 44 3.590 1.827 1.500 1.00 35.25 N ATOM 1946 CA GLY B 44 2.953 2.159 2.790 1.00 43.20 C ATOM 1947 C GLY B 44 3.880 1.947 4.004 1.00 73.14 C ATOM 1948 O GLY B 44 3.801 2.685 4.996 1.00 73.14 O ATOM 0 H GLY B 44 3.161 1.039 1.015 1.00 35.25 H new ATOM 0 HA2 GLY B 44 2.627 3.199 2.769 1.00 43.20 H new ATOM 0 HA3 GLY B 44 2.059 1.547 2.913 1.00 43.20 H new ATOM 1952 N TRP B 45 4.759 0.929 3.916 1.00 51.12 N ATOM 1953 CA TRP B 45 5.817 0.671 4.925 1.00 53.35 C ATOM 1954 C TRP B 45 6.972 1.712 4.809 1.00 60.05 C ATOM 1955 O TRP B 45 7.640 2.036 5.796 1.00 74.44 O ATOM 1956 CB TRP B 45 6.350 -0.776 4.762 1.00 11.10 C ATOM 1957 CG TRP B 45 7.339 -1.204 5.830 1.00 1.52 C ATOM 1958 CD1 TRP B 45 8.701 -1.297 5.716 1.00 3.52 C ATOM 1959 CD2 TRP B 45 7.030 -1.590 7.182 1.00 23.44 C ATOM 1960 NE1 TRP B 45 9.246 -1.731 6.893 1.00 73.01 N ATOM 1961 CE2 TRP B 45 8.246 -1.917 7.809 1.00 42.21 C ATOM 1962 CE3 TRP B 45 5.841 -1.697 7.918 1.00 5.11 C ATOM 1963 CZ2 TRP B 45 8.312 -2.344 9.134 1.00 50.32 C ATOM 1964 CZ3 TRP B 45 5.906 -2.121 9.233 1.00 24.45 C ATOM 1965 CH2 TRP B 45 7.136 -2.440 9.829 1.00 42.52 C ATOM 0 H TRP B 45 4.759 0.260 3.146 1.00 51.12 H new ATOM 0 HA TRP B 45 5.386 0.777 5.921 1.00 53.35 H new ATOM 0 HB2 TRP B 45 5.505 -1.464 4.770 1.00 11.10 H new ATOM 0 HB3 TRP B 45 6.826 -0.867 3.786 1.00 11.10 H new ATOM 0 HD1 TRP B 45 9.264 -1.061 4.825 1.00 3.52 H new ATOM 0 HE1 TRP B 45 10.239 -1.891 7.061 1.00 73.01 H new ATOM 0 HE3 TRP B 45 4.891 -1.453 7.466 1.00 5.11 H new ATOM 0 HZ2 TRP B 45 9.257 -2.590 9.596 1.00 50.32 H new ATOM 0 HZ3 TRP B 45 4.997 -2.208 9.810 1.00 24.45 H new ATOM 0 HH2 TRP B 45 7.155 -2.768 10.858 1.00 42.52 H new ATOM 1976 N LEU B 46 7.205 2.224 3.588 1.00 53.24 N ATOM 1977 CA LEU B 46 8.119 3.369 3.357 1.00 1.12 C ATOM 1978 C LEU B 46 7.497 4.682 3.890 1.00 1.43 C ATOM 1979 O LEU B 46 8.208 5.563 4.371 1.00 44.23 O ATOM 1980 CB LEU B 46 8.453 3.484 1.845 1.00 31.04 C ATOM 1981 CG LEU B 46 9.229 2.275 1.238 1.00 1.44 C ATOM 1982 CD1 LEU B 46 9.359 2.393 -0.296 1.00 51.32 C ATOM 1983 CD2 LEU B 46 10.607 2.112 1.923 1.00 64.34 C ATOM 0 H LEU B 46 6.772 1.864 2.737 1.00 53.24 H new ATOM 0 HA LEU B 46 9.046 3.195 3.904 1.00 1.12 H new ATOM 0 HB2 LEU B 46 7.522 3.610 1.293 1.00 31.04 H new ATOM 0 HB3 LEU B 46 9.042 4.388 1.688 1.00 31.04 H new ATOM 0 HG LEU B 46 8.651 1.372 1.434 1.00 1.44 H new ATOM 0 HD11 LEU B 46 9.905 1.533 -0.682 1.00 51.32 H new ATOM 0 HD12 LEU B 46 8.366 2.423 -0.744 1.00 51.32 H new ATOM 0 HD13 LEU B 46 9.898 3.307 -0.546 1.00 51.32 H new ATOM 0 HD21 LEU B 46 11.133 1.263 1.485 1.00 64.34 H new ATOM 0 HD22 LEU B 46 11.195 3.018 1.777 1.00 64.34 H new ATOM 0 HD23 LEU B 46 10.465 1.940 2.990 1.00 64.34 H new ATOM 1995 N ALA B 47 6.159 4.794 3.779 1.00 1.44 N ATOM 1996 CA ALA B 47 5.365 5.907 4.348 1.00 41.32 C ATOM 1997 C ALA B 47 5.379 5.889 5.896 1.00 74.40 C ATOM 1998 O ALA B 47 5.219 6.935 6.526 1.00 64.51 O ATOM 1999 CB ALA B 47 3.923 5.869 3.806 1.00 30.14 C ATOM 0 H ALA B 47 5.589 4.106 3.286 1.00 1.44 H new ATOM 0 HA ALA B 47 5.829 6.842 4.035 1.00 41.32 H new ATOM 0 HB1 ALA B 47 3.352 6.693 4.233 1.00 30.14 H new ATOM 0 HB2 ALA B 47 3.940 5.964 2.720 1.00 30.14 H new ATOM 0 HB3 ALA B 47 3.456 4.923 4.081 1.00 30.14 H new ATOM 2005 N ARG B 48 5.555 4.697 6.500 1.00 40.42 N ATOM 2006 CA ARG B 48 5.857 4.567 7.949 1.00 11.14 C ATOM 2007 C ARG B 48 7.132 5.361 8.320 1.00 14.20 C ATOM 2008 O ARG B 48 7.130 6.185 9.238 1.00 61.32 O ATOM 2009 CB ARG B 48 6.058 3.071 8.311 1.00 25.14 C ATOM 2010 CG ARG B 48 6.691 2.819 9.699 1.00 43.45 C ATOM 2011 CD ARG B 48 6.965 1.336 9.974 1.00 71.33 C ATOM 2012 NE ARG B 48 7.733 1.158 11.220 1.00 43.33 N ATOM 2013 CZ ARG B 48 7.318 0.522 12.300 1.00 74.20 C ATOM 2014 NH1 ARG B 48 6.120 0.012 12.370 1.00 33.23 N ATOM 2015 NH2 ARG B 48 8.110 0.407 13.315 1.00 71.21 N ATOM 0 H ARG B 48 5.494 3.805 6.009 1.00 40.42 H new ATOM 0 HA ARG B 48 5.017 4.974 8.512 1.00 11.14 H new ATOM 0 HB2 ARG B 48 5.091 2.569 8.272 1.00 25.14 H new ATOM 0 HB3 ARG B 48 6.688 2.609 7.551 1.00 25.14 H new ATOM 0 HG2 ARG B 48 7.626 3.375 9.772 1.00 43.45 H new ATOM 0 HG3 ARG B 48 6.027 3.209 10.471 1.00 43.45 H new ATOM 0 HD2 ARG B 48 6.021 0.796 10.045 1.00 71.33 H new ATOM 0 HD3 ARG B 48 7.517 0.904 9.139 1.00 71.33 H new ATOM 0 HE ARG B 48 8.669 1.563 11.250 1.00 43.33 H new ATOM 0 HH11 ARG B 48 5.481 0.100 11.580 1.00 33.23 H new ATOM 0 HH12 ARG B 48 5.822 -0.475 13.215 1.00 33.23 H new ATOM 0 HH21 ARG B 48 9.048 0.806 13.278 1.00 71.21 H new ATOM 0 HH22 ARG B 48 7.797 -0.083 14.153 1.00 71.21 H new ATOM 2029 N GLU B 49 8.206 5.111 7.560 1.00 61.22 N ATOM 2030 CA GLU B 49 9.513 5.778 7.752 1.00 23.41 C ATOM 2031 C GLU B 49 9.531 7.200 7.119 1.00 44.42 C ATOM 2032 O GLU B 49 10.502 7.949 7.292 1.00 22.22 O ATOM 2033 CB GLU B 49 10.628 4.884 7.147 1.00 20.33 C ATOM 2034 CG GLU B 49 10.703 3.451 7.729 1.00 41.32 C ATOM 2035 CD GLU B 49 10.931 3.421 9.256 1.00 53.15 C ATOM 2036 OE1 GLU B 49 12.019 3.837 9.712 1.00 55.13 O ATOM 2037 OE2 GLU B 49 10.019 3.007 10.010 1.00 25.51 O ATOM 0 H GLU B 49 8.199 4.440 6.792 1.00 61.22 H new ATOM 0 HA GLU B 49 9.690 5.909 8.820 1.00 23.41 H new ATOM 0 HB2 GLU B 49 10.474 4.815 6.070 1.00 20.33 H new ATOM 0 HB3 GLU B 49 11.590 5.374 7.301 1.00 20.33 H new ATOM 0 HG2 GLU B 49 9.778 2.924 7.497 1.00 41.32 H new ATOM 0 HG3 GLU B 49 11.511 2.909 7.238 1.00 41.32 H new ATOM 2044 N ASN B 50 8.444 7.528 6.373 1.00 35.31 N ATOM 2045 CA ASN B 50 8.210 8.840 5.717 1.00 4.33 C ATOM 2046 C ASN B 50 9.282 9.129 4.624 1.00 51.21 C ATOM 2047 O ASN B 50 9.648 10.275 4.359 1.00 31.14 O ATOM 2048 CB ASN B 50 8.111 9.977 6.788 1.00 3.34 C ATOM 2049 CG ASN B 50 7.479 11.268 6.264 1.00 42.45 C ATOM 2050 OD1 ASN B 50 6.632 11.248 5.374 1.00 45.42 O ATOM 2051 ND2 ASN B 50 7.872 12.393 6.811 1.00 2.11 N ATOM 0 H ASN B 50 7.685 6.867 6.207 1.00 35.31 H new ATOM 0 HA ASN B 50 7.252 8.805 5.198 1.00 4.33 H new ATOM 0 HB2 ASN B 50 7.527 9.616 7.635 1.00 3.34 H new ATOM 0 HB3 ASN B 50 9.111 10.199 7.162 1.00 3.34 H new ATOM 0 HD21 ASN B 50 7.473 13.278 6.499 1.00 2.11 H new ATOM 0 HD22 ASN B 50 8.577 12.383 7.548 1.00 2.11 H new ATOM 2058 N LYS B 51 9.747 8.052 3.970 1.00 0.44 N ATOM 2059 CA LYS B 51 10.758 8.118 2.895 1.00 54.12 C ATOM 2060 C LYS B 51 10.111 8.329 1.504 1.00 75.14 C ATOM 2061 O LYS B 51 10.820 8.431 0.509 1.00 71.03 O ATOM 2062 CB LYS B 51 11.618 6.825 2.904 1.00 52.31 C ATOM 2063 CG LYS B 51 12.256 6.499 4.275 1.00 35.22 C ATOM 2064 CD LYS B 51 13.185 5.255 4.248 1.00 53.10 C ATOM 2065 CE LYS B 51 14.516 5.514 3.516 1.00 53.34 C ATOM 2066 NZ LYS B 51 15.323 6.578 4.177 1.00 15.21 N ATOM 0 H LYS B 51 9.432 7.103 4.172 1.00 0.44 H new ATOM 0 HA LYS B 51 11.396 8.981 3.087 1.00 54.12 H new ATOM 0 HB2 LYS B 51 10.995 5.985 2.597 1.00 52.31 H new ATOM 0 HB3 LYS B 51 12.410 6.923 2.161 1.00 52.31 H new ATOM 0 HG2 LYS B 51 12.828 7.362 4.615 1.00 35.22 H new ATOM 0 HG3 LYS B 51 11.464 6.335 5.005 1.00 35.22 H new ATOM 0 HD2 LYS B 51 13.394 4.942 5.271 1.00 53.10 H new ATOM 0 HD3 LYS B 51 12.664 4.430 3.762 1.00 53.10 H new ATOM 0 HE2 LYS B 51 15.095 4.591 3.480 1.00 53.34 H new ATOM 0 HE3 LYS B 51 14.312 5.803 2.485 1.00 53.34 H new ATOM 0 HZ1 LYS B 51 16.294 6.558 3.806 1.00 15.21 H new ATOM 0 HZ2 LYS B 51 14.898 7.507 3.984 1.00 15.21 H new ATOM 0 HZ3 LYS B 51 15.341 6.413 5.204 1.00 15.21 H new ATOM 2080 N VAL B 52 8.760 8.388 1.441 1.00 41.33 N ATOM 2081 CA VAL B 52 8.002 8.588 0.174 1.00 5.33 C ATOM 2082 C VAL B 52 6.807 9.563 0.350 1.00 73.55 C ATOM 2083 O VAL B 52 6.355 9.823 1.473 1.00 43.33 O ATOM 2084 CB VAL B 52 7.439 7.221 -0.392 1.00 63.20 C ATOM 2085 CG1 VAL B 52 8.576 6.259 -0.805 1.00 34.41 C ATOM 2086 CG2 VAL B 52 6.480 6.547 0.623 1.00 41.21 C ATOM 0 H VAL B 52 8.162 8.299 2.263 1.00 41.33 H new ATOM 0 HA VAL B 52 8.717 9.016 -0.529 1.00 5.33 H new ATOM 0 HB VAL B 52 6.868 7.455 -1.291 1.00 63.20 H new ATOM 0 HG11 VAL B 52 8.148 5.333 -1.188 1.00 34.41 H new ATOM 0 HG12 VAL B 52 9.184 6.726 -1.580 1.00 34.41 H new ATOM 0 HG13 VAL B 52 9.199 6.039 0.062 1.00 34.41 H new ATOM 0 HG21 VAL B 52 6.109 5.610 0.207 1.00 41.21 H new ATOM 0 HG22 VAL B 52 7.016 6.345 1.551 1.00 41.21 H new ATOM 0 HG23 VAL B 52 5.640 7.211 0.826 1.00 41.21 H new ATOM 2096 N VAL B 53 6.308 10.080 -0.795 1.00 33.51 N ATOM 2097 CA VAL B 53 5.017 10.814 -0.895 1.00 55.31 C ATOM 2098 C VAL B 53 4.140 10.211 -2.019 1.00 25.34 C ATOM 2099 O VAL B 53 4.649 9.576 -2.954 1.00 34.31 O ATOM 2100 CB VAL B 53 5.206 12.358 -1.156 1.00 42.14 C ATOM 2101 CG1 VAL B 53 5.741 13.091 0.098 1.00 75.43 C ATOM 2102 CG2 VAL B 53 6.125 12.603 -2.365 1.00 60.01 C ATOM 0 H VAL B 53 6.793 10.001 -1.689 1.00 33.51 H new ATOM 0 HA VAL B 53 4.524 10.701 0.071 1.00 55.31 H new ATOM 0 HB VAL B 53 4.223 12.771 -1.382 1.00 42.14 H new ATOM 0 HG11 VAL B 53 5.858 14.152 -0.123 1.00 75.43 H new ATOM 0 HG12 VAL B 53 5.036 12.967 0.920 1.00 75.43 H new ATOM 0 HG13 VAL B 53 6.706 12.671 0.381 1.00 75.43 H new ATOM 0 HG21 VAL B 53 6.239 13.675 -2.524 1.00 60.01 H new ATOM 0 HG22 VAL B 53 7.102 12.158 -2.175 1.00 60.01 H new ATOM 0 HG23 VAL B 53 5.686 12.149 -3.254 1.00 60.01 H new ATOM 2112 N ILE B 54 2.814 10.422 -1.920 1.00 51.23 N ATOM 2113 CA ILE B 54 1.822 9.842 -2.857 1.00 34.32 C ATOM 2114 C ILE B 54 1.089 10.963 -3.620 1.00 23.04 C ATOM 2115 O ILE B 54 0.431 11.818 -3.005 1.00 52.35 O ATOM 2116 CB ILE B 54 0.772 8.952 -2.089 1.00 13.44 C ATOM 2117 CG1 ILE B 54 1.489 7.915 -1.170 1.00 11.44 C ATOM 2118 CG2 ILE B 54 -0.210 8.242 -3.066 1.00 74.52 C ATOM 2119 CD1 ILE B 54 2.410 6.941 -1.886 1.00 22.41 C ATOM 0 H ILE B 54 2.396 10.999 -1.190 1.00 51.23 H new ATOM 0 HA ILE B 54 2.359 9.213 -3.566 1.00 34.32 H new ATOM 0 HB ILE B 54 0.180 9.617 -1.460 1.00 13.44 H new ATOM 0 HG12 ILE B 54 2.070 8.456 -0.423 1.00 11.44 H new ATOM 0 HG13 ILE B 54 0.731 7.345 -0.633 1.00 11.44 H new ATOM 0 HG21 ILE B 54 -0.917 7.639 -2.497 1.00 74.52 H new ATOM 0 HG22 ILE B 54 -0.753 8.990 -3.643 1.00 74.52 H new ATOM 0 HG23 ILE B 54 0.352 7.599 -3.743 1.00 74.52 H new ATOM 0 HD11 ILE B 54 2.859 6.264 -1.160 1.00 22.41 H new ATOM 0 HD12 ILE B 54 1.837 6.366 -2.613 1.00 22.41 H new ATOM 0 HD13 ILE B 54 3.196 7.494 -2.400 1.00 22.41 H new ATOM 2131 N GLU B 55 1.209 10.962 -4.957 1.00 50.31 N ATOM 2132 CA GLU B 55 0.581 11.977 -5.824 1.00 24.22 C ATOM 2133 C GLU B 55 -0.481 11.335 -6.743 1.00 54.22 C ATOM 2134 O GLU B 55 -0.158 10.487 -7.585 1.00 11.44 O ATOM 2135 CB GLU B 55 1.663 12.697 -6.676 1.00 63.20 C ATOM 2136 CG GLU B 55 2.803 13.362 -5.865 1.00 30.33 C ATOM 2137 CD GLU B 55 2.318 14.345 -4.784 1.00 42.11 C ATOM 2138 OE1 GLU B 55 1.612 15.324 -5.127 1.00 75.32 O ATOM 2139 OE2 GLU B 55 2.626 14.143 -3.583 1.00 32.03 O ATOM 0 H GLU B 55 1.743 10.260 -5.469 1.00 50.31 H new ATOM 0 HA GLU B 55 0.084 12.710 -5.188 1.00 24.22 H new ATOM 0 HB2 GLU B 55 2.101 11.974 -7.364 1.00 63.20 H new ATOM 0 HB3 GLU B 55 1.177 13.461 -7.283 1.00 63.20 H new ATOM 0 HG2 GLU B 55 3.399 12.582 -5.390 1.00 30.33 H new ATOM 0 HG3 GLU B 55 3.462 13.892 -6.553 1.00 30.33 H new ATOM 2146 N ARG B 56 -1.756 11.718 -6.545 1.00 0.24 N ATOM 2147 CA ARG B 56 -2.850 11.348 -7.464 1.00 21.30 C ATOM 2148 C ARG B 56 -2.889 12.357 -8.633 1.00 45.44 C ATOM 2149 O ARG B 56 -3.422 13.467 -8.501 1.00 50.33 O ATOM 2150 CB ARG B 56 -4.210 11.299 -6.709 1.00 13.11 C ATOM 2151 CG ARG B 56 -4.261 10.251 -5.575 1.00 22.05 C ATOM 2152 CD ARG B 56 -5.576 10.288 -4.772 1.00 23.24 C ATOM 2153 NE ARG B 56 -5.650 9.188 -3.780 1.00 44.15 N ATOM 2154 CZ ARG B 56 -5.797 9.330 -2.473 1.00 51.53 C ATOM 2155 NH1 ARG B 56 -5.854 10.503 -1.919 1.00 22.01 N ATOM 2156 NH2 ARG B 56 -5.886 8.278 -1.724 1.00 32.04 N ATOM 0 H ARG B 56 -2.055 12.286 -5.753 1.00 0.24 H new ATOM 0 HA ARG B 56 -2.670 10.351 -7.865 1.00 21.30 H new ATOM 0 HB2 ARG B 56 -4.417 12.284 -6.290 1.00 13.11 H new ATOM 0 HB3 ARG B 56 -5.004 11.084 -7.425 1.00 13.11 H new ATOM 0 HG2 ARG B 56 -4.132 9.257 -6.002 1.00 22.05 H new ATOM 0 HG3 ARG B 56 -3.424 10.418 -4.897 1.00 22.05 H new ATOM 0 HD2 ARG B 56 -5.661 11.246 -4.259 1.00 23.24 H new ATOM 0 HD3 ARG B 56 -6.421 10.217 -5.456 1.00 23.24 H new ATOM 0 HE ARG B 56 -5.581 8.235 -4.138 1.00 44.15 H new ATOM 0 HH11 ARG B 56 -5.785 11.343 -2.494 1.00 22.01 H new ATOM 0 HH12 ARG B 56 -5.968 10.585 -0.909 1.00 22.01 H new ATOM 0 HH21 ARG B 56 -5.843 7.349 -2.143 1.00 32.04 H new ATOM 0 HH22 ARG B 56 -5.999 8.378 -0.715 1.00 32.04 H new ATOM 2170 N LYS B 57 -2.273 11.973 -9.762 1.00 63.00 N ATOM 2171 CA LYS B 57 -2.133 12.829 -10.953 1.00 55.02 C ATOM 2172 C LYS B 57 -3.090 12.355 -12.063 1.00 62.43 C ATOM 2173 O LYS B 57 -2.862 11.308 -12.674 1.00 40.42 O ATOM 2174 CB LYS B 57 -0.658 12.799 -11.433 1.00 41.30 C ATOM 2175 CG LYS B 57 0.364 13.191 -10.334 1.00 61.00 C ATOM 2176 CD LYS B 57 1.829 13.146 -10.818 1.00 14.14 C ATOM 2177 CE LYS B 57 2.116 14.157 -11.938 1.00 22.32 C ATOM 2178 NZ LYS B 57 1.930 15.555 -11.475 1.00 22.13 N ATOM 0 H LYS B 57 -1.853 11.050 -9.876 1.00 63.00 H new ATOM 0 HA LYS B 57 -2.398 13.856 -10.702 1.00 55.02 H new ATOM 0 HB2 LYS B 57 -0.423 11.798 -11.794 1.00 41.30 H new ATOM 0 HB3 LYS B 57 -0.547 13.477 -12.279 1.00 41.30 H new ATOM 0 HG2 LYS B 57 0.137 14.196 -9.978 1.00 61.00 H new ATOM 0 HG3 LYS B 57 0.249 12.518 -9.484 1.00 61.00 H new ATOM 0 HD2 LYS B 57 2.492 13.346 -9.976 1.00 14.14 H new ATOM 0 HD3 LYS B 57 2.059 12.142 -11.173 1.00 14.14 H new ATOM 0 HE2 LYS B 57 3.137 14.025 -12.295 1.00 22.32 H new ATOM 0 HE3 LYS B 57 1.455 13.962 -12.783 1.00 22.32 H new ATOM 0 HZ1 LYS B 57 2.261 16.211 -12.211 1.00 22.13 H new ATOM 0 HZ2 LYS B 57 0.922 15.727 -11.286 1.00 22.13 H new ATOM 0 HZ3 LYS B 57 2.477 15.708 -10.604 1.00 22.13 H new ATOM 2192 N ASN B 58 -4.159 13.151 -12.316 1.00 42.23 N ATOM 2193 CA ASN B 58 -5.270 12.799 -13.250 1.00 52.13 C ATOM 2194 C ASN B 58 -5.928 11.424 -12.904 1.00 75.12 C ATOM 2195 O ASN B 58 -6.450 10.720 -13.781 1.00 73.45 O ATOM 2196 CB ASN B 58 -4.764 12.831 -14.722 1.00 55.31 C ATOM 2197 CG ASN B 58 -4.123 14.170 -15.101 1.00 0.33 C ATOM 2198 OD1 ASN B 58 -4.793 15.092 -15.556 1.00 43.24 O ATOM 2199 ND2 ASN B 58 -2.820 14.288 -14.913 1.00 61.20 N ATOM 0 H ASN B 58 -4.280 14.063 -11.876 1.00 42.23 H new ATOM 0 HA ASN B 58 -6.051 13.550 -13.131 1.00 52.13 H new ATOM 0 HB2 ASN B 58 -4.038 12.031 -14.869 1.00 55.31 H new ATOM 0 HB3 ASN B 58 -5.599 12.631 -15.393 1.00 55.31 H new ATOM 0 HD21 ASN B 58 -2.348 15.161 -15.148 1.00 61.20 H new ATOM 0 HD22 ASN B 58 -2.287 13.506 -14.533 1.00 61.20 H new ATOM 2206 N GLY B 59 -5.935 11.088 -11.600 1.00 21.41 N ATOM 2207 CA GLY B 59 -6.500 9.820 -11.095 1.00 5.34 C ATOM 2208 C GLY B 59 -5.458 8.703 -10.901 1.00 31.51 C ATOM 2209 O GLY B 59 -5.735 7.710 -10.218 1.00 42.21 O ATOM 0 H GLY B 59 -5.551 11.685 -10.868 1.00 21.41 H new ATOM 0 HA2 GLY B 59 -6.996 10.009 -10.143 1.00 5.34 H new ATOM 0 HA3 GLY B 59 -7.265 9.473 -11.790 1.00 5.34 H new ATOM 2213 N LEU B 60 -4.265 8.868 -11.506 1.00 35.42 N ATOM 2214 CA LEU B 60 -3.177 7.856 -11.468 1.00 23.53 C ATOM 2215 C LEU B 60 -2.377 7.958 -10.150 1.00 14.35 C ATOM 2216 O LEU B 60 -2.010 9.057 -9.727 1.00 41.23 O ATOM 2217 CB LEU B 60 -2.210 8.014 -12.686 1.00 42.24 C ATOM 2218 CG LEU B 60 -2.774 7.625 -14.099 1.00 1.32 C ATOM 2219 CD1 LEU B 60 -3.898 8.571 -14.579 1.00 15.15 C ATOM 2220 CD2 LEU B 60 -1.639 7.540 -15.145 1.00 63.24 C ATOM 0 H LEU B 60 -4.023 9.705 -12.036 1.00 35.42 H new ATOM 0 HA LEU B 60 -3.646 6.873 -11.524 1.00 23.53 H new ATOM 0 HB2 LEU B 60 -1.883 9.053 -12.726 1.00 42.24 H new ATOM 0 HB3 LEU B 60 -1.324 7.408 -12.496 1.00 42.24 H new ATOM 0 HG LEU B 60 -3.223 6.638 -13.992 1.00 1.32 H new ATOM 0 HD11 LEU B 60 -4.248 8.252 -15.561 1.00 15.15 H new ATOM 0 HD12 LEU B 60 -4.726 8.540 -13.871 1.00 15.15 H new ATOM 0 HD13 LEU B 60 -3.514 9.589 -14.644 1.00 15.15 H new ATOM 0 HD21 LEU B 60 -2.057 7.269 -16.114 1.00 63.24 H new ATOM 0 HD22 LEU B 60 -1.142 8.507 -15.222 1.00 63.24 H new ATOM 0 HD23 LEU B 60 -0.917 6.784 -14.837 1.00 63.24 H new ATOM 2232 N ILE B 61 -2.107 6.804 -9.512 1.00 65.13 N ATOM 2233 CA ILE B 61 -1.361 6.743 -8.234 1.00 3.34 C ATOM 2234 C ILE B 61 0.153 6.587 -8.517 1.00 40.41 C ATOM 2235 O ILE B 61 0.613 5.509 -8.915 1.00 61.10 O ATOM 2236 CB ILE B 61 -1.871 5.560 -7.326 1.00 22.44 C ATOM 2237 CG1 ILE B 61 -3.435 5.555 -7.226 1.00 42.43 C ATOM 2238 CG2 ILE B 61 -1.215 5.616 -5.916 1.00 41.40 C ATOM 2239 CD1 ILE B 61 -4.049 6.760 -6.552 1.00 15.32 C ATOM 0 H ILE B 61 -2.396 5.891 -9.862 1.00 65.13 H new ATOM 0 HA ILE B 61 -1.534 7.674 -7.694 1.00 3.34 H new ATOM 0 HB ILE B 61 -1.569 4.624 -7.796 1.00 22.44 H new ATOM 0 HG12 ILE B 61 -3.845 5.475 -8.233 1.00 42.43 H new ATOM 0 HG13 ILE B 61 -3.744 4.661 -6.684 1.00 42.43 H new ATOM 0 HG21 ILE B 61 -1.584 4.789 -5.310 1.00 41.40 H new ATOM 0 HG22 ILE B 61 -0.132 5.538 -6.015 1.00 41.40 H new ATOM 0 HG23 ILE B 61 -1.468 6.560 -5.434 1.00 41.40 H new ATOM 0 HD11 ILE B 61 -5.134 6.655 -6.536 1.00 15.32 H new ATOM 0 HD12 ILE B 61 -3.677 6.834 -5.530 1.00 15.32 H new ATOM 0 HD13 ILE B 61 -3.780 7.661 -7.103 1.00 15.32 H new ATOM 2251 N GLU B 62 0.914 7.678 -8.313 1.00 42.53 N ATOM 2252 CA GLU B 62 2.355 7.750 -8.639 1.00 24.01 C ATOM 2253 C GLU B 62 3.198 7.941 -7.364 1.00 31.14 C ATOM 2254 O GLU B 62 2.905 8.807 -6.527 1.00 62.42 O ATOM 2255 CB GLU B 62 2.616 8.894 -9.657 1.00 21.25 C ATOM 2256 CG GLU B 62 1.953 8.652 -11.034 1.00 22.11 C ATOM 2257 CD GLU B 62 2.203 9.761 -12.066 1.00 0.42 C ATOM 2258 OE1 GLU B 62 3.358 10.239 -12.175 1.00 71.40 O ATOM 2259 OE2 GLU B 62 1.260 10.131 -12.804 1.00 61.13 O ATOM 0 H GLU B 62 0.546 8.542 -7.915 1.00 42.53 H new ATOM 0 HA GLU B 62 2.656 6.807 -9.095 1.00 24.01 H new ATOM 0 HB2 GLU B 62 2.245 9.831 -9.243 1.00 21.25 H new ATOM 0 HB3 GLU B 62 3.691 9.010 -9.795 1.00 21.25 H new ATOM 0 HG2 GLU B 62 2.319 7.708 -11.438 1.00 22.11 H new ATOM 0 HG3 GLU B 62 0.878 8.542 -10.891 1.00 22.11 H new ATOM 2266 N ILE B 63 4.236 7.101 -7.230 1.00 2.23 N ATOM 2267 CA ILE B 63 5.120 7.065 -6.055 1.00 11.44 C ATOM 2268 C ILE B 63 6.355 7.959 -6.270 1.00 3.02 C ATOM 2269 O ILE B 63 7.169 7.709 -7.168 1.00 60.14 O ATOM 2270 CB ILE B 63 5.599 5.593 -5.746 1.00 34.14 C ATOM 2271 CG1 ILE B 63 4.392 4.600 -5.737 1.00 14.54 C ATOM 2272 CG2 ILE B 63 6.399 5.530 -4.413 1.00 24.33 C ATOM 2273 CD1 ILE B 63 3.253 4.972 -4.806 1.00 51.12 C ATOM 0 H ILE B 63 4.488 6.418 -7.945 1.00 2.23 H new ATOM 0 HA ILE B 63 4.545 7.438 -5.208 1.00 11.44 H new ATOM 0 HB ILE B 63 6.273 5.285 -6.546 1.00 34.14 H new ATOM 0 HG12 ILE B 63 4.000 4.522 -6.751 1.00 14.54 H new ATOM 0 HG13 ILE B 63 4.758 3.612 -5.460 1.00 14.54 H new ATOM 0 HG21 ILE B 63 6.716 4.504 -4.227 1.00 24.33 H new ATOM 0 HG22 ILE B 63 7.276 6.173 -4.484 1.00 24.33 H new ATOM 0 HG23 ILE B 63 5.766 5.869 -3.593 1.00 24.33 H new ATOM 0 HD11 ILE B 63 2.467 4.220 -4.874 1.00 51.12 H new ATOM 0 HD12 ILE B 63 3.621 5.020 -3.781 1.00 51.12 H new ATOM 0 HD13 ILE B 63 2.851 5.944 -5.093 1.00 51.12 H new ATOM 2285 N TYR B 64 6.465 9.006 -5.453 1.00 75.20 N ATOM 2286 CA TYR B 64 7.635 9.902 -5.414 1.00 23.21 C ATOM 2287 C TYR B 64 8.456 9.643 -4.137 1.00 64.15 C ATOM 2288 O TYR B 64 7.944 9.101 -3.154 1.00 24.14 O ATOM 2289 CB TYR B 64 7.168 11.381 -5.466 1.00 54.54 C ATOM 2290 CG TYR B 64 6.619 11.833 -6.826 1.00 64.12 C ATOM 2291 CD1 TYR B 64 5.380 11.383 -7.290 1.00 65.02 C ATOM 2292 CD2 TYR B 64 7.346 12.699 -7.652 1.00 14.45 C ATOM 2293 CE1 TYR B 64 4.886 11.783 -8.517 1.00 33.34 C ATOM 2294 CE2 TYR B 64 6.855 13.100 -8.877 1.00 35.12 C ATOM 2295 CZ TYR B 64 5.629 12.638 -9.309 1.00 4.12 C ATOM 2296 OH TYR B 64 5.141 13.045 -10.532 1.00 74.02 O ATOM 0 H TYR B 64 5.737 9.265 -4.787 1.00 75.20 H new ATOM 0 HA TYR B 64 8.267 9.703 -6.280 1.00 23.21 H new ATOM 0 HB2 TYR B 64 6.397 11.531 -4.710 1.00 54.54 H new ATOM 0 HB3 TYR B 64 8.007 12.022 -5.197 1.00 54.54 H new ATOM 0 HD1 TYR B 64 4.798 10.710 -6.678 1.00 65.02 H new ATOM 0 HD2 TYR B 64 8.310 13.060 -7.324 1.00 14.45 H new ATOM 0 HE1 TYR B 64 3.923 11.429 -8.856 1.00 33.34 H new ATOM 0 HE2 TYR B 64 7.429 13.774 -9.496 1.00 35.12 H new ATOM 0 HH TYR B 64 5.788 13.645 -10.959 1.00 74.02 H new ATOM 2306 N ASN B 65 9.730 10.042 -4.166 1.00 21.40 N ATOM 2307 CA ASN B 65 10.647 9.918 -3.013 1.00 21.14 C ATOM 2308 C ASN B 65 10.588 11.205 -2.164 1.00 62.24 C ATOM 2309 O ASN B 65 10.325 12.287 -2.694 1.00 35.23 O ATOM 2310 CB ASN B 65 12.089 9.671 -3.534 1.00 2.30 C ATOM 2311 CG ASN B 65 13.104 9.305 -2.450 1.00 51.51 C ATOM 2312 OD1 ASN B 65 12.758 8.784 -1.404 1.00 22.20 O ATOM 2313 ND2 ASN B 65 14.371 9.556 -2.704 1.00 21.35 N ATOM 0 H ASN B 65 10.163 10.462 -4.988 1.00 21.40 H new ATOM 0 HA ASN B 65 10.348 9.077 -2.387 1.00 21.14 H new ATOM 0 HB2 ASN B 65 12.062 8.870 -4.273 1.00 2.30 H new ATOM 0 HB3 ASN B 65 12.434 10.568 -4.048 1.00 2.30 H new ATOM 0 HD21 ASN B 65 15.086 9.314 -2.018 1.00 21.35 H new ATOM 0 HD22 ASN B 65 14.637 9.993 -3.586 1.00 21.35 H new ATOM 2320 N GLU B 66 10.821 11.097 -0.848 1.00 64.11 N ATOM 2321 CA GLU B 66 10.868 12.281 0.044 1.00 2.23 C ATOM 2322 C GLU B 66 12.326 12.792 0.200 1.00 20.54 C ATOM 2323 O GLU B 66 13.294 12.049 0.007 1.00 72.21 O ATOM 2324 CB GLU B 66 10.196 11.989 1.435 1.00 63.15 C ATOM 2325 CG GLU B 66 9.103 13.012 1.850 1.00 12.24 C ATOM 2326 CD GLU B 66 9.632 14.456 1.993 1.00 40.04 C ATOM 2327 OE1 GLU B 66 9.660 15.216 0.987 1.00 43.12 O ATOM 2328 OE2 GLU B 66 10.076 14.821 3.094 1.00 11.41 O ATOM 0 H GLU B 66 10.980 10.209 -0.372 1.00 64.11 H new ATOM 0 HA GLU B 66 10.286 13.076 -0.422 1.00 2.23 H new ATOM 0 HB2 GLU B 66 9.753 10.994 1.408 1.00 63.15 H new ATOM 0 HB3 GLU B 66 10.970 11.973 2.202 1.00 63.15 H new ATOM 0 HG2 GLU B 66 8.304 12.998 1.109 1.00 12.24 H new ATOM 0 HG3 GLU B 66 8.665 12.699 2.798 1.00 12.24 H new