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: B 57 LYS NZ :NH3+ -126:sc= 1.27 (180deg=0.242) USER MOD Set 1.2: B 64 TYR OH : rot -32:sc= 0.65 USER MOD Set 2.1: B 9 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.71) USER MOD Set 2.2: B 38 SER OG : rot 180:sc=-0.00476 USER MOD Set 3.1: A 50 ASN : amide:sc= 0.0143 K(o=0.05,f=-6.2!) USER MOD Set 3.2: B 3 LYS NZ :NH3+ 178:sc= 0.0352 (180deg=-0.0963) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.033) USER MOD Single : A 18 ASN : amide:sc= 0.443 K(o=0.44,f=-0.063) USER MOD Single : A 24 SER OG : rot -9:sc= 0.557 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00151) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0.615 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.296 USER MOD Single : A 51 LYS NZ :NH3+ -135:sc=0.000665 (180deg=-0.0839) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 0.691 (180deg=-0.00912) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 TYR OH : rot 165:sc= -0.0868 USER MOD Single : A 65 ASN : amide:sc= -0.846 K(o=-0.85,f=-2.8!) USER MOD Single : B 4 LYS NZ :NH3+ -172:sc=-0.00707 (180deg=-0.0825) USER MOD Single : B 12 LYS NZ :NH3+ -122:sc= -0.246 (180deg=-0.913) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0.0627 X(o=0.063,f=0.0034) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0193) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 35 SER OG : rot 180:sc=-0.00117 USER MOD Single : B 39 THR OG1 : rot 78:sc= 0.0838 USER MOD Single : B 50 ASN : amide:sc= -0.0455 X(o=-0.046,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -179:sc= 0.141 (180deg=0.138) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -2.65! X(o=-2.7!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -2.019 13.698 6.167 1.00 72.54 N ATOM 55 CA LYS A 4 -3.255 13.400 6.947 1.00 11.12 C ATOM 56 C LYS A 4 -4.360 12.754 6.076 1.00 64.51 C ATOM 57 O LYS A 4 -5.308 12.159 6.603 1.00 33.51 O ATOM 58 CB LYS A 4 -3.781 14.681 7.638 1.00 71.31 C ATOM 59 CG LYS A 4 -2.801 15.379 8.632 1.00 44.42 C ATOM 60 CD LYS A 4 -2.538 14.595 9.956 1.00 32.32 C ATOM 61 CE LYS A 4 -1.463 13.487 9.846 1.00 23.52 C ATOM 62 NZ LYS A 4 -1.259 12.786 11.138 1.00 31.25 N ATOM 0 HA LYS A 4 -2.986 12.670 7.711 1.00 11.12 H new ATOM 0 HB2 LYS A 4 -4.055 15.399 6.865 1.00 71.31 H new ATOM 0 HB3 LYS A 4 -4.694 14.429 8.177 1.00 71.31 H new ATOM 0 HG2 LYS A 4 -1.849 15.540 8.127 1.00 44.42 H new ATOM 0 HG3 LYS A 4 -3.200 16.362 8.882 1.00 44.42 H new ATOM 0 HD2 LYS A 4 -2.234 15.302 10.728 1.00 32.32 H new ATOM 0 HD3 LYS A 4 -3.473 14.144 10.288 1.00 32.32 H new ATOM 0 HE2 LYS A 4 -1.761 12.766 9.085 1.00 23.52 H new ATOM 0 HE3 LYS A 4 -0.521 13.926 9.518 1.00 23.52 H new ATOM 0 HZ1 LYS A 4 -0.532 12.051 11.023 1.00 31.25 H new ATOM 0 HZ2 LYS A 4 -0.950 13.469 11.859 1.00 31.25 H new ATOM 0 HZ3 LYS A 4 -2.152 12.345 11.439 1.00 31.25 H new ATOM 76 N ILE A 5 -4.214 12.881 4.749 1.00 61.52 N ATOM 77 CA ILE A 5 -5.095 12.219 3.770 1.00 71.14 C ATOM 78 C ILE A 5 -4.956 10.674 3.830 1.00 24.41 C ATOM 79 O ILE A 5 -5.964 9.975 3.884 1.00 13.21 O ATOM 80 CB ILE A 5 -4.816 12.756 2.312 1.00 55.55 C ATOM 81 CG1 ILE A 5 -5.058 14.307 2.268 1.00 53.10 C ATOM 82 CG2 ILE A 5 -5.671 12.020 1.244 1.00 50.33 C ATOM 83 CD1 ILE A 5 -4.871 14.964 0.912 1.00 4.24 C ATOM 0 H ILE A 5 -3.481 13.446 4.321 1.00 61.52 H new ATOM 0 HA ILE A 5 -6.124 12.464 4.033 1.00 71.14 H new ATOM 0 HB ILE A 5 -3.774 12.551 2.066 1.00 55.55 H new ATOM 0 HG12 ILE A 5 -6.073 14.508 2.612 1.00 53.10 H new ATOM 0 HG13 ILE A 5 -4.381 14.782 2.978 1.00 53.10 H new ATOM 0 HG21 ILE A 5 -5.445 12.423 0.257 1.00 50.33 H new ATOM 0 HG22 ILE A 5 -5.439 10.955 1.263 1.00 50.33 H new ATOM 0 HG23 ILE A 5 -6.729 12.165 1.462 1.00 50.33 H new ATOM 0 HD11 ILE A 5 -5.063 16.034 0.996 1.00 4.24 H new ATOM 0 HD12 ILE A 5 -3.849 14.805 0.568 1.00 4.24 H new ATOM 0 HD13 ILE A 5 -5.567 14.526 0.196 1.00 4.24 H new ATOM 95 N VAL A 6 -3.706 10.146 3.854 1.00 1.20 N ATOM 96 CA VAL A 6 -3.466 8.676 3.969 1.00 51.43 C ATOM 97 C VAL A 6 -3.867 8.139 5.363 1.00 64.44 C ATOM 98 O VAL A 6 -4.223 6.969 5.492 1.00 34.44 O ATOM 99 CB VAL A 6 -1.979 8.264 3.629 1.00 54.35 C ATOM 100 CG1 VAL A 6 -1.561 8.856 2.273 1.00 70.21 C ATOM 101 CG2 VAL A 6 -0.975 8.648 4.745 1.00 25.25 C ATOM 0 H VAL A 6 -2.855 10.705 3.796 1.00 1.20 H new ATOM 0 HA VAL A 6 -4.108 8.213 3.219 1.00 51.43 H new ATOM 0 HB VAL A 6 -1.953 7.176 3.564 1.00 54.35 H new ATOM 0 HG11 VAL A 6 -0.534 8.565 2.050 1.00 70.21 H new ATOM 0 HG12 VAL A 6 -2.222 8.480 1.492 1.00 70.21 H new ATOM 0 HG13 VAL A 6 -1.629 9.943 2.314 1.00 70.21 H new ATOM 0 HG21 VAL A 6 0.029 8.339 4.453 1.00 25.25 H new ATOM 0 HG22 VAL A 6 -0.993 9.727 4.895 1.00 25.25 H new ATOM 0 HG23 VAL A 6 -1.253 8.148 5.673 1.00 25.25 H new ATOM 111 N GLY A 7 -3.801 9.017 6.388 1.00 20.35 N ATOM 112 CA GLY A 7 -4.302 8.696 7.735 1.00 33.51 C ATOM 113 C GLY A 7 -5.825 8.510 7.766 1.00 13.43 C ATOM 114 O GLY A 7 -6.340 7.576 8.396 1.00 4.31 O ATOM 0 H GLY A 7 -3.405 9.953 6.304 1.00 20.35 H new ATOM 0 HA2 GLY A 7 -3.821 7.785 8.091 1.00 33.51 H new ATOM 0 HA3 GLY A 7 -4.022 9.494 8.423 1.00 33.51 H new ATOM 118 N ALA A 8 -6.539 9.408 7.053 1.00 63.34 N ATOM 119 CA ALA A 8 -8.011 9.338 6.889 1.00 41.34 C ATOM 120 C ALA A 8 -8.425 8.100 6.049 1.00 34.42 C ATOM 121 O ALA A 8 -9.360 7.373 6.410 1.00 31.44 O ATOM 122 CB ALA A 8 -8.530 10.634 6.240 1.00 75.22 C ATOM 0 H ALA A 8 -6.113 10.202 6.575 1.00 63.34 H new ATOM 0 HA ALA A 8 -8.461 9.232 7.876 1.00 41.34 H new ATOM 0 HB1 ALA A 8 -9.612 10.574 6.123 1.00 75.22 H new ATOM 0 HB2 ALA A 8 -8.280 11.484 6.875 1.00 75.22 H new ATOM 0 HB3 ALA A 8 -8.066 10.762 5.262 1.00 75.22 H new ATOM 128 N ASN A 9 -7.688 7.861 4.941 1.00 11.23 N ATOM 129 CA ASN A 9 -7.891 6.685 4.058 1.00 14.25 C ATOM 130 C ASN A 9 -7.647 5.364 4.823 1.00 1.34 C ATOM 131 O ASN A 9 -8.344 4.381 4.603 1.00 75.11 O ATOM 132 CB ASN A 9 -6.953 6.746 2.814 1.00 64.11 C ATOM 133 CG ASN A 9 -7.229 7.928 1.880 1.00 13.40 C ATOM 134 OD1 ASN A 9 -8.352 8.404 1.759 1.00 23.21 O ATOM 135 ND2 ASN A 9 -6.201 8.399 1.195 1.00 64.33 N ATOM 0 H ASN A 9 -6.935 8.476 4.632 1.00 11.23 H new ATOM 0 HA ASN A 9 -8.927 6.712 3.721 1.00 14.25 H new ATOM 0 HB2 ASN A 9 -5.919 6.800 3.154 1.00 64.11 H new ATOM 0 HB3 ASN A 9 -7.055 5.819 2.250 1.00 64.11 H new ATOM 0 HD21 ASN A 9 -6.333 9.176 0.548 1.00 64.33 H new ATOM 0 HD22 ASN A 9 -5.276 7.985 1.314 1.00 64.33 H new ATOM 142 N ALA A 10 -6.666 5.375 5.742 1.00 53.20 N ATOM 143 CA ALA A 10 -6.289 4.194 6.549 1.00 30.44 C ATOM 144 C ALA A 10 -7.358 3.867 7.611 1.00 32.13 C ATOM 145 O ALA A 10 -7.624 2.701 7.888 1.00 5.32 O ATOM 146 CB ALA A 10 -4.929 4.435 7.202 1.00 63.15 C ATOM 0 H ALA A 10 -6.109 6.204 5.949 1.00 53.20 H new ATOM 0 HA ALA A 10 -6.222 3.331 5.887 1.00 30.44 H new ATOM 0 HB1 ALA A 10 -4.652 3.565 7.797 1.00 63.15 H new ATOM 0 HB2 ALA A 10 -4.179 4.601 6.429 1.00 63.15 H new ATOM 0 HB3 ALA A 10 -4.985 5.312 7.847 1.00 63.15 H new ATOM 152 N GLY A 11 -7.969 4.919 8.190 1.00 72.11 N ATOM 153 CA GLY A 11 -9.100 4.756 9.121 1.00 74.43 C ATOM 154 C GLY A 11 -10.365 4.227 8.425 1.00 60.40 C ATOM 155 O GLY A 11 -11.167 3.506 9.025 1.00 43.11 O ATOM 0 H GLY A 11 -7.698 5.889 8.029 1.00 72.11 H new ATOM 0 HA2 GLY A 11 -8.814 4.070 9.918 1.00 74.43 H new ATOM 0 HA3 GLY A 11 -9.321 5.715 9.590 1.00 74.43 H new ATOM 159 N LYS A 12 -10.516 4.599 7.140 1.00 51.23 N ATOM 160 CA LYS A 12 -11.610 4.135 6.257 1.00 24.04 C ATOM 161 C LYS A 12 -11.428 2.629 5.875 1.00 51.32 C ATOM 162 O LYS A 12 -12.391 1.852 5.876 1.00 22.34 O ATOM 163 CB LYS A 12 -11.625 5.032 4.987 1.00 62.03 C ATOM 164 CG LYS A 12 -12.842 4.857 4.055 1.00 50.02 C ATOM 165 CD LYS A 12 -14.173 5.331 4.688 1.00 3.33 C ATOM 166 CE LYS A 12 -15.366 5.189 3.723 1.00 1.43 C ATOM 167 NZ LYS A 12 -16.627 5.699 4.311 1.00 63.42 N ATOM 0 H LYS A 12 -9.873 5.240 6.676 1.00 51.23 H new ATOM 0 HA LYS A 12 -12.563 4.217 6.780 1.00 24.04 H new ATOM 0 HB2 LYS A 12 -11.579 6.075 5.301 1.00 62.03 H new ATOM 0 HB3 LYS A 12 -10.720 4.832 4.413 1.00 62.03 H new ATOM 0 HG2 LYS A 12 -12.668 5.413 3.134 1.00 50.02 H new ATOM 0 HG3 LYS A 12 -12.932 3.806 3.781 1.00 50.02 H new ATOM 0 HD2 LYS A 12 -14.369 4.753 5.591 1.00 3.33 H new ATOM 0 HD3 LYS A 12 -14.077 6.373 4.992 1.00 3.33 H new ATOM 0 HE2 LYS A 12 -15.152 5.731 2.802 1.00 1.43 H new ATOM 0 HE3 LYS A 12 -15.491 4.140 3.455 1.00 1.43 H new ATOM 0 HZ1 LYS A 12 -17.401 5.583 3.626 1.00 63.42 H new ATOM 0 HZ2 LYS A 12 -16.847 5.166 5.176 1.00 63.42 H new ATOM 0 HZ3 LYS A 12 -16.519 6.707 4.544 1.00 63.42 H new ATOM 181 N VAL A 13 -10.171 2.241 5.564 1.00 44.23 N ATOM 182 CA VAL A 13 -9.783 0.832 5.265 1.00 41.43 C ATOM 183 C VAL A 13 -9.900 -0.066 6.526 1.00 4.33 C ATOM 184 O VAL A 13 -10.372 -1.211 6.456 1.00 2.30 O ATOM 185 CB VAL A 13 -8.313 0.768 4.677 1.00 33.10 C ATOM 186 CG1 VAL A 13 -7.793 -0.692 4.539 1.00 23.14 C ATOM 187 CG2 VAL A 13 -8.236 1.504 3.314 1.00 34.33 C ATOM 0 H VAL A 13 -9.389 2.894 5.511 1.00 44.23 H new ATOM 0 HA VAL A 13 -10.476 0.451 4.515 1.00 41.43 H new ATOM 0 HB VAL A 13 -7.663 1.274 5.390 1.00 33.10 H new ATOM 0 HG11 VAL A 13 -6.782 -0.681 4.132 1.00 23.14 H new ATOM 0 HG12 VAL A 13 -7.785 -1.169 5.519 1.00 23.14 H new ATOM 0 HG13 VAL A 13 -8.448 -1.250 3.869 1.00 23.14 H new ATOM 0 HG21 VAL A 13 -7.218 1.448 2.927 1.00 34.33 H new ATOM 0 HG22 VAL A 13 -8.919 1.033 2.607 1.00 34.33 H new ATOM 0 HG23 VAL A 13 -8.516 2.549 3.448 1.00 34.33 H new ATOM 197 N TRP A 14 -9.480 0.481 7.681 1.00 51.35 N ATOM 198 CA TRP A 14 -9.538 -0.233 8.977 1.00 31.10 C ATOM 199 C TRP A 14 -11.010 -0.405 9.434 1.00 44.11 C ATOM 200 O TRP A 14 -11.354 -1.414 10.050 1.00 1.24 O ATOM 201 CB TRP A 14 -8.677 0.480 10.056 1.00 72.23 C ATOM 202 CG TRP A 14 -8.350 -0.401 11.248 1.00 71.22 C ATOM 203 CD1 TRP A 14 -7.405 -1.396 11.315 1.00 2.14 C ATOM 204 CD2 TRP A 14 -8.971 -0.363 12.530 1.00 21.23 C ATOM 205 NE1 TRP A 14 -7.431 -1.983 12.553 1.00 14.32 N ATOM 206 CE2 TRP A 14 -8.381 -1.360 13.319 1.00 73.35 C ATOM 207 CE3 TRP A 14 -9.976 0.426 13.072 1.00 0.52 C ATOM 208 CZ2 TRP A 14 -8.769 -1.591 14.636 1.00 44.41 C ATOM 209 CZ3 TRP A 14 -10.366 0.206 14.380 1.00 55.13 C ATOM 210 CH2 TRP A 14 -9.761 -0.798 15.151 1.00 12.50 C ATOM 0 H TRP A 14 -9.093 1.423 7.747 1.00 51.35 H new ATOM 0 HA TRP A 14 -9.112 -1.227 8.841 1.00 31.10 H new ATOM 0 HB2 TRP A 14 -7.747 0.821 9.601 1.00 72.23 H new ATOM 0 HB3 TRP A 14 -9.206 1.367 10.404 1.00 72.23 H new ATOM 0 HD1 TRP A 14 -6.740 -1.674 10.511 1.00 2.14 H new ATOM 0 HE1 TRP A 14 -6.840 -2.757 12.855 1.00 14.32 H new ATOM 0 HE3 TRP A 14 -10.446 1.199 12.482 1.00 0.52 H new ATOM 0 HZ2 TRP A 14 -8.306 -2.366 15.229 1.00 44.41 H new ATOM 0 HZ3 TRP A 14 -11.146 0.814 14.814 1.00 55.13 H new ATOM 0 HH2 TRP A 14 -10.083 -0.949 16.171 1.00 12.50 H new ATOM 221 N HIS A 15 -11.873 0.589 9.106 1.00 50.15 N ATOM 222 CA HIS A 15 -13.351 0.468 9.258 1.00 3.24 C ATOM 223 C HIS A 15 -13.885 -0.745 8.465 1.00 44.21 C ATOM 224 O HIS A 15 -14.694 -1.509 8.980 1.00 61.15 O ATOM 225 CB HIS A 15 -14.078 1.761 8.783 1.00 41.11 C ATOM 226 CG HIS A 15 -15.599 1.664 8.774 1.00 15.42 C ATOM 227 ND1 HIS A 15 -16.375 1.943 9.873 1.00 62.14 N ATOM 228 CD2 HIS A 15 -16.477 1.283 7.800 1.00 34.15 C ATOM 229 CE1 HIS A 15 -17.647 1.735 9.588 1.00 72.21 C ATOM 230 NE2 HIS A 15 -17.740 1.335 8.340 1.00 52.51 N ATOM 0 H HIS A 15 -11.572 1.489 8.732 1.00 50.15 H new ATOM 0 HA HIS A 15 -13.557 0.323 10.318 1.00 3.24 H new ATOM 0 HB2 HIS A 15 -13.783 2.587 9.430 1.00 41.11 H new ATOM 0 HB3 HIS A 15 -13.736 2.006 7.777 1.00 41.11 H new ATOM 0 HD2 HIS A 15 -16.225 0.994 6.790 1.00 34.15 H new ATOM 0 HE1 HIS A 15 -18.475 1.871 10.268 1.00 72.21 H new ATOM 0 HE2 HIS A 15 -18.605 1.102 7.853 1.00 52.51 H new ATOM 239 N ALA A 16 -13.424 -0.884 7.203 1.00 73.25 N ATOM 240 CA ALA A 16 -13.829 -1.995 6.297 1.00 20.31 C ATOM 241 C ALA A 16 -13.506 -3.388 6.888 1.00 44.20 C ATOM 242 O ALA A 16 -14.173 -4.368 6.569 1.00 11.13 O ATOM 243 CB ALA A 16 -13.151 -1.850 4.932 1.00 64.21 C ATOM 0 H ALA A 16 -12.762 -0.234 6.779 1.00 73.25 H new ATOM 0 HA ALA A 16 -14.911 -1.925 6.182 1.00 20.31 H new ATOM 0 HB1 ALA A 16 -13.459 -2.670 4.284 1.00 64.21 H new ATOM 0 HB2 ALA A 16 -13.442 -0.902 4.480 1.00 64.21 H new ATOM 0 HB3 ALA A 16 -12.069 -1.874 5.059 1.00 64.21 H new ATOM 249 N LEU A 17 -12.449 -3.451 7.711 1.00 23.41 N ATOM 250 CA LEU A 17 -12.083 -4.658 8.483 1.00 13.52 C ATOM 251 C LEU A 17 -13.109 -4.965 9.608 1.00 11.31 C ATOM 252 O LEU A 17 -13.567 -6.101 9.742 1.00 3.31 O ATOM 253 CB LEU A 17 -10.678 -4.477 9.084 1.00 41.54 C ATOM 254 CG LEU A 17 -9.522 -4.288 8.060 1.00 2.14 C ATOM 255 CD1 LEU A 17 -8.204 -3.969 8.785 1.00 31.10 C ATOM 256 CD2 LEU A 17 -9.382 -5.526 7.139 1.00 3.53 C ATOM 0 H LEU A 17 -11.818 -2.664 7.864 1.00 23.41 H new ATOM 0 HA LEU A 17 -12.089 -5.507 7.799 1.00 13.52 H new ATOM 0 HB2 LEU A 17 -10.696 -3.612 9.747 1.00 41.54 H new ATOM 0 HB3 LEU A 17 -10.453 -5.347 9.701 1.00 41.54 H new ATOM 0 HG LEU A 17 -9.766 -3.438 7.422 1.00 2.14 H new ATOM 0 HD11 LEU A 17 -7.408 -3.840 8.052 1.00 31.10 H new ATOM 0 HD12 LEU A 17 -8.319 -3.051 9.361 1.00 31.10 H new ATOM 0 HD13 LEU A 17 -7.950 -4.789 9.456 1.00 31.10 H new ATOM 0 HD21 LEU A 17 -8.566 -5.365 6.434 1.00 3.53 H new ATOM 0 HD22 LEU A 17 -9.170 -6.407 7.744 1.00 3.53 H new ATOM 0 HD23 LEU A 17 -10.311 -5.678 6.590 1.00 3.53 H new ATOM 268 N ASN A 18 -13.460 -3.944 10.420 1.00 15.44 N ATOM 269 CA ASN A 18 -14.490 -4.087 11.496 1.00 14.43 C ATOM 270 C ASN A 18 -15.906 -4.310 10.896 1.00 35.23 C ATOM 271 O ASN A 18 -16.806 -4.837 11.562 1.00 13.41 O ATOM 272 CB ASN A 18 -14.490 -2.854 12.432 1.00 31.53 C ATOM 273 CG ASN A 18 -13.151 -2.657 13.141 1.00 23.42 C ATOM 274 OD1 ASN A 18 -12.903 -3.211 14.201 1.00 22.02 O ATOM 275 ND2 ASN A 18 -12.279 -1.865 12.565 1.00 15.14 N ATOM 0 H ASN A 18 -13.052 -3.011 10.359 1.00 15.44 H new ATOM 0 HA ASN A 18 -14.228 -4.967 12.084 1.00 14.43 H new ATOM 0 HB2 ASN A 18 -14.725 -1.962 11.852 1.00 31.53 H new ATOM 0 HB3 ASN A 18 -15.278 -2.967 13.176 1.00 31.53 H new ATOM 0 HD21 ASN A 18 -11.372 -1.701 13.002 1.00 15.14 H new ATOM 0 HD22 ASN A 18 -12.508 -1.413 11.680 1.00 15.14 H new ATOM 282 N GLU A 19 -16.073 -3.886 9.632 1.00 14.21 N ATOM 283 CA GLU A 19 -17.298 -4.101 8.838 1.00 45.55 C ATOM 284 C GLU A 19 -17.348 -5.570 8.346 1.00 63.51 C ATOM 285 O GLU A 19 -18.363 -6.259 8.501 1.00 54.11 O ATOM 286 CB GLU A 19 -17.304 -3.110 7.631 1.00 31.42 C ATOM 287 CG GLU A 19 -18.644 -2.982 6.871 1.00 3.22 C ATOM 288 CD GLU A 19 -19.737 -2.263 7.686 1.00 72.54 C ATOM 289 OE1 GLU A 19 -19.671 -1.014 7.810 1.00 43.42 O ATOM 290 OE2 GLU A 19 -20.663 -2.928 8.196 1.00 3.22 O ATOM 0 H GLU A 19 -15.350 -3.376 9.124 1.00 14.21 H new ATOM 0 HA GLU A 19 -18.180 -3.915 9.451 1.00 45.55 H new ATOM 0 HB2 GLU A 19 -17.019 -2.123 7.995 1.00 31.42 H new ATOM 0 HB3 GLU A 19 -16.536 -3.424 6.924 1.00 31.42 H new ATOM 0 HG2 GLU A 19 -18.477 -2.439 5.941 1.00 3.22 H new ATOM 0 HG3 GLU A 19 -18.997 -3.977 6.600 1.00 3.22 H new ATOM 297 N ALA A 20 -16.211 -6.024 7.769 1.00 51.12 N ATOM 298 CA ALA A 20 -16.015 -7.402 7.256 1.00 52.54 C ATOM 299 C ALA A 20 -14.513 -7.642 6.913 1.00 5.13 C ATOM 300 O ALA A 20 -14.040 -7.243 5.843 1.00 41.43 O ATOM 301 CB ALA A 20 -16.906 -7.663 6.020 1.00 31.45 C ATOM 0 H ALA A 20 -15.389 -5.433 7.644 1.00 51.12 H new ATOM 0 HA ALA A 20 -16.310 -8.104 8.036 1.00 52.54 H new ATOM 0 HB1 ALA A 20 -16.744 -8.680 5.663 1.00 31.45 H new ATOM 0 HB2 ALA A 20 -17.954 -7.537 6.294 1.00 31.45 H new ATOM 0 HB3 ALA A 20 -16.650 -6.956 5.231 1.00 31.45 H new ATOM 307 N ASP A 21 -13.767 -8.267 7.846 1.00 22.54 N ATOM 308 CA ASP A 21 -12.318 -8.576 7.677 1.00 61.54 C ATOM 309 C ASP A 21 -12.086 -9.882 6.877 1.00 54.20 C ATOM 310 O ASP A 21 -13.039 -10.617 6.577 1.00 73.40 O ATOM 311 CB ASP A 21 -11.628 -8.660 9.066 1.00 42.24 C ATOM 312 CG ASP A 21 -12.227 -9.744 9.981 1.00 51.23 C ATOM 313 OD1 ASP A 21 -13.361 -9.560 10.465 1.00 50.54 O ATOM 314 OD2 ASP A 21 -11.580 -10.784 10.202 1.00 2.14 O ATOM 0 H ASP A 21 -14.145 -8.575 8.742 1.00 22.54 H new ATOM 0 HA ASP A 21 -11.874 -7.765 7.100 1.00 61.54 H new ATOM 0 HB2 ASP A 21 -10.566 -8.860 8.924 1.00 42.24 H new ATOM 0 HB3 ASP A 21 -11.706 -7.692 9.562 1.00 42.24 H new ATOM 319 N GLY A 22 -10.805 -10.173 6.562 1.00 10.22 N ATOM 320 CA GLY A 22 -10.455 -11.329 5.721 1.00 42.13 C ATOM 321 C GLY A 22 -10.861 -11.114 4.267 1.00 61.21 C ATOM 322 O GLY A 22 -11.676 -11.862 3.711 1.00 62.53 O ATOM 0 H GLY A 22 -10.004 -9.625 6.877 1.00 10.22 H new ATOM 0 HA2 GLY A 22 -9.381 -11.507 5.776 1.00 42.13 H new ATOM 0 HA3 GLY A 22 -10.946 -12.222 6.108 1.00 42.13 H new ATOM 326 N ILE A 23 -10.274 -10.075 3.654 1.00 51.32 N ATOM 327 CA ILE A 23 -10.736 -9.535 2.362 1.00 43.21 C ATOM 328 C ILE A 23 -9.545 -9.013 1.514 1.00 34.43 C ATOM 329 O ILE A 23 -8.466 -8.758 2.047 1.00 12.31 O ATOM 330 CB ILE A 23 -11.803 -8.399 2.641 1.00 1.02 C ATOM 331 CG1 ILE A 23 -12.543 -7.960 1.341 1.00 41.30 C ATOM 332 CG2 ILE A 23 -11.168 -7.183 3.371 1.00 55.15 C ATOM 333 CD1 ILE A 23 -13.710 -7.019 1.572 1.00 71.11 C ATOM 0 H ILE A 23 -9.466 -9.584 4.038 1.00 51.32 H new ATOM 0 HA ILE A 23 -11.205 -10.327 1.779 1.00 43.21 H new ATOM 0 HB ILE A 23 -12.552 -8.826 3.307 1.00 1.02 H new ATOM 0 HG12 ILE A 23 -11.828 -7.476 0.676 1.00 41.30 H new ATOM 0 HG13 ILE A 23 -12.906 -8.849 0.826 1.00 41.30 H new ATOM 0 HG21 ILE A 23 -11.931 -6.424 3.545 1.00 55.15 H new ATOM 0 HG22 ILE A 23 -10.754 -7.507 4.326 1.00 55.15 H new ATOM 0 HG23 ILE A 23 -10.373 -6.763 2.755 1.00 55.15 H new ATOM 0 HD11 ILE A 23 -14.167 -6.765 0.616 1.00 71.11 H new ATOM 0 HD12 ILE A 23 -14.449 -7.505 2.209 1.00 71.11 H new ATOM 0 HD13 ILE A 23 -13.354 -6.110 2.057 1.00 71.11 H new ATOM 345 N SER A 24 -9.738 -8.899 0.185 1.00 2.22 N ATOM 346 CA SER A 24 -8.725 -8.304 -0.720 1.00 70.40 C ATOM 347 C SER A 24 -8.764 -6.761 -0.660 1.00 72.44 C ATOM 348 O SER A 24 -9.811 -6.162 -0.370 1.00 33.41 O ATOM 349 CB SER A 24 -8.947 -8.766 -2.186 1.00 3.55 C ATOM 350 OG SER A 24 -8.842 -10.173 -2.328 1.00 30.44 O ATOM 0 H SER A 24 -10.586 -9.210 -0.289 1.00 2.22 H new ATOM 0 HA SER A 24 -7.748 -8.649 -0.382 1.00 70.40 H new ATOM 0 HB2 SER A 24 -9.932 -8.442 -2.522 1.00 3.55 H new ATOM 0 HB3 SER A 24 -8.215 -8.282 -2.832 1.00 3.55 H new ATOM 0 HG SER A 24 -8.509 -10.562 -1.493 1.00 30.44 H new ATOM 356 N ILE A 25 -7.608 -6.143 -0.958 1.00 3.24 N ATOM 357 CA ILE A 25 -7.457 -4.681 -1.117 1.00 33.20 C ATOM 358 C ILE A 25 -8.481 -4.085 -2.156 1.00 33.42 C ATOM 359 O ILE A 25 -9.237 -3.174 -1.787 1.00 12.03 O ATOM 360 CB ILE A 25 -5.961 -4.328 -1.519 1.00 3.11 C ATOM 361 CG1 ILE A 25 -4.978 -4.654 -0.339 1.00 44.35 C ATOM 362 CG2 ILE A 25 -5.816 -2.868 -2.017 1.00 44.22 C ATOM 363 CD1 ILE A 25 -3.493 -4.549 -0.685 1.00 3.03 C ATOM 0 H ILE A 25 -6.735 -6.652 -1.098 1.00 3.24 H new ATOM 0 HA ILE A 25 -7.683 -4.217 -0.157 1.00 33.20 H new ATOM 0 HB ILE A 25 -5.687 -4.961 -2.363 1.00 3.11 H new ATOM 0 HG12 ILE A 25 -5.191 -3.977 0.488 1.00 44.35 H new ATOM 0 HG13 ILE A 25 -5.182 -5.665 0.015 1.00 44.35 H new ATOM 0 HG21 ILE A 25 -4.776 -2.675 -2.280 1.00 44.22 H new ATOM 0 HG22 ILE A 25 -6.446 -2.719 -2.894 1.00 44.22 H new ATOM 0 HG23 ILE A 25 -6.124 -2.182 -1.228 1.00 44.22 H new ATOM 0 HD11 ILE A 25 -2.896 -4.793 0.194 1.00 3.03 H new ATOM 0 HD12 ILE A 25 -3.256 -5.246 -1.489 1.00 3.03 H new ATOM 0 HD13 ILE A 25 -3.266 -3.533 -1.008 1.00 3.03 H new ATOM 375 N PRO A 26 -8.562 -4.590 -3.460 1.00 50.11 N ATOM 376 CA PRO A 26 -9.521 -4.036 -4.458 1.00 2.11 C ATOM 377 C PRO A 26 -11.013 -4.289 -4.100 1.00 73.24 C ATOM 378 O PRO A 26 -11.880 -3.531 -4.521 1.00 11.51 O ATOM 379 CB PRO A 26 -9.116 -4.746 -5.783 1.00 1.44 C ATOM 380 CG PRO A 26 -8.475 -6.027 -5.348 1.00 60.44 C ATOM 381 CD PRO A 26 -7.737 -5.688 -4.071 1.00 50.51 C ATOM 0 HA PRO A 26 -9.459 -2.949 -4.511 1.00 2.11 H new ATOM 0 HB2 PRO A 26 -9.985 -4.933 -6.414 1.00 1.44 H new ATOM 0 HB3 PRO A 26 -8.425 -4.135 -6.364 1.00 1.44 H new ATOM 0 HG2 PRO A 26 -9.221 -6.803 -5.177 1.00 60.44 H new ATOM 0 HG3 PRO A 26 -7.792 -6.404 -6.109 1.00 60.44 H new ATOM 0 HD2 PRO A 26 -7.666 -6.551 -3.409 1.00 50.51 H new ATOM 0 HD3 PRO A 26 -6.718 -5.357 -4.274 1.00 50.51 H new ATOM 389 N GLU A 27 -11.288 -5.349 -3.311 1.00 35.34 N ATOM 390 CA GLU A 27 -12.661 -5.704 -2.868 1.00 54.34 C ATOM 391 C GLU A 27 -13.228 -4.701 -1.838 1.00 40.20 C ATOM 392 O GLU A 27 -14.344 -4.188 -2.010 1.00 64.31 O ATOM 393 CB GLU A 27 -12.680 -7.148 -2.290 1.00 70.13 C ATOM 394 CG GLU A 27 -12.684 -8.268 -3.351 1.00 41.41 C ATOM 395 CD GLU A 27 -14.017 -8.349 -4.128 1.00 31.22 C ATOM 396 OE1 GLU A 27 -14.951 -9.019 -3.643 1.00 23.52 O ATOM 397 OE2 GLU A 27 -14.136 -7.738 -5.213 1.00 75.11 O ATOM 0 H GLU A 27 -10.570 -5.984 -2.962 1.00 35.34 H new ATOM 0 HA GLU A 27 -13.307 -5.656 -3.745 1.00 54.34 H new ATOM 0 HB2 GLU A 27 -11.810 -7.279 -1.647 1.00 70.13 H new ATOM 0 HB3 GLU A 27 -13.562 -7.261 -1.659 1.00 70.13 H new ATOM 0 HG2 GLU A 27 -11.868 -8.100 -4.054 1.00 41.41 H new ATOM 0 HG3 GLU A 27 -12.493 -9.224 -2.864 1.00 41.41 H new ATOM 404 N LEU A 28 -12.462 -4.431 -0.763 1.00 3.51 N ATOM 405 CA LEU A 28 -12.881 -3.471 0.289 1.00 24.22 C ATOM 406 C LEU A 28 -12.910 -2.029 -0.277 1.00 40.12 C ATOM 407 O LEU A 28 -13.752 -1.220 0.122 1.00 31.20 O ATOM 408 CB LEU A 28 -11.968 -3.601 1.558 1.00 54.13 C ATOM 409 CG LEU A 28 -10.565 -2.872 1.545 1.00 62.42 C ATOM 410 CD1 LEU A 28 -10.656 -1.434 2.117 1.00 73.11 C ATOM 411 CD2 LEU A 28 -9.475 -3.694 2.278 1.00 34.03 C ATOM 0 H LEU A 28 -11.552 -4.860 -0.596 1.00 3.51 H new ATOM 0 HA LEU A 28 -13.895 -3.712 0.607 1.00 24.22 H new ATOM 0 HB2 LEU A 28 -12.530 -3.226 2.413 1.00 54.13 H new ATOM 0 HB3 LEU A 28 -11.791 -4.662 1.734 1.00 54.13 H new ATOM 0 HG LEU A 28 -10.267 -2.793 0.500 1.00 62.42 H new ATOM 0 HD11 LEU A 28 -9.671 -0.969 2.090 1.00 73.11 H new ATOM 0 HD12 LEU A 28 -11.351 -0.847 1.517 1.00 73.11 H new ATOM 0 HD13 LEU A 28 -11.010 -1.474 3.147 1.00 73.11 H new ATOM 0 HD21 LEU A 28 -8.528 -3.155 2.244 1.00 34.03 H new ATOM 0 HD22 LEU A 28 -9.770 -3.845 3.317 1.00 34.03 H new ATOM 0 HD23 LEU A 28 -9.359 -4.662 1.790 1.00 34.03 H new ATOM 423 N ALA A 29 -11.982 -1.749 -1.230 1.00 50.00 N ATOM 424 CA ALA A 29 -11.853 -0.441 -1.925 1.00 14.10 C ATOM 425 C ALA A 29 -13.185 0.031 -2.560 1.00 61.21 C ATOM 426 O ALA A 29 -13.540 1.213 -2.481 1.00 40.32 O ATOM 427 CB ALA A 29 -10.761 -0.534 -3.006 1.00 22.33 C ATOM 0 H ALA A 29 -11.294 -2.435 -1.541 1.00 50.00 H new ATOM 0 HA ALA A 29 -11.577 0.299 -1.174 1.00 14.10 H new ATOM 0 HB1 ALA A 29 -10.669 0.426 -3.514 1.00 22.33 H new ATOM 0 HB2 ALA A 29 -9.809 -0.791 -2.541 1.00 22.33 H new ATOM 0 HB3 ALA A 29 -11.030 -1.303 -3.730 1.00 22.33 H new ATOM 433 N ARG A 30 -13.914 -0.921 -3.173 1.00 34.53 N ATOM 434 CA ARG A 30 -15.228 -0.671 -3.821 1.00 21.52 C ATOM 435 C ARG A 30 -16.285 -0.193 -2.797 1.00 25.14 C ATOM 436 O ARG A 30 -17.069 0.727 -3.071 1.00 4.20 O ATOM 437 CB ARG A 30 -15.724 -1.966 -4.527 1.00 15.40 C ATOM 438 CG ARG A 30 -14.711 -2.570 -5.522 1.00 72.25 C ATOM 439 CD ARG A 30 -15.201 -3.878 -6.178 1.00 54.24 C ATOM 440 NE ARG A 30 -14.134 -4.548 -6.955 1.00 64.54 N ATOM 441 CZ ARG A 30 -14.169 -4.828 -8.246 1.00 53.41 C ATOM 442 NH1 ARG A 30 -15.148 -4.429 -9.004 1.00 5.42 N ATOM 443 NH2 ARG A 30 -13.190 -5.481 -8.778 1.00 33.10 N ATOM 0 H ARG A 30 -13.611 -1.893 -3.236 1.00 34.53 H new ATOM 0 HA ARG A 30 -15.093 0.120 -4.558 1.00 21.52 H new ATOM 0 HB2 ARG A 30 -15.961 -2.712 -3.769 1.00 15.40 H new ATOM 0 HB3 ARG A 30 -16.650 -1.746 -5.057 1.00 15.40 H new ATOM 0 HG2 ARG A 30 -14.499 -1.839 -6.302 1.00 72.25 H new ATOM 0 HG3 ARG A 30 -13.773 -2.763 -5.002 1.00 72.25 H new ATOM 0 HD2 ARG A 30 -15.566 -4.555 -5.406 1.00 54.24 H new ATOM 0 HD3 ARG A 30 -16.044 -3.660 -6.834 1.00 54.24 H new ATOM 0 HE ARG A 30 -13.293 -4.819 -6.446 1.00 64.54 H new ATOM 0 HH11 ARG A 30 -15.914 -3.886 -8.605 1.00 5.42 H new ATOM 0 HH12 ARG A 30 -15.150 -4.659 -9.998 1.00 5.42 H new ATOM 0 HH21 ARG A 30 -12.401 -5.775 -8.203 1.00 33.10 H new ATOM 0 HH22 ARG A 30 -13.206 -5.703 -9.773 1.00 33.10 H new ATOM 457 N LYS A 31 -16.273 -0.824 -1.610 1.00 15.11 N ATOM 458 CA LYS A 31 -17.263 -0.572 -0.532 1.00 21.20 C ATOM 459 C LYS A 31 -17.022 0.797 0.140 1.00 62.32 C ATOM 460 O LYS A 31 -17.960 1.556 0.403 1.00 55.20 O ATOM 461 CB LYS A 31 -17.183 -1.695 0.531 1.00 3.41 C ATOM 462 CG LYS A 31 -17.198 -3.118 -0.061 1.00 32.13 C ATOM 463 CD LYS A 31 -17.108 -4.206 1.028 1.00 75.43 C ATOM 464 CE LYS A 31 -16.802 -5.587 0.446 1.00 2.35 C ATOM 465 NZ LYS A 31 -17.822 -6.042 -0.532 1.00 11.52 N ATOM 0 H LYS A 31 -15.576 -1.527 -1.364 1.00 15.11 H new ATOM 0 HA LYS A 31 -18.256 -0.563 -0.982 1.00 21.20 H new ATOM 0 HB2 LYS A 31 -16.272 -1.565 1.115 1.00 3.41 H new ATOM 0 HB3 LYS A 31 -18.021 -1.590 1.220 1.00 3.41 H new ATOM 0 HG2 LYS A 31 -18.112 -3.259 -0.638 1.00 32.13 H new ATOM 0 HG3 LYS A 31 -16.363 -3.230 -0.753 1.00 32.13 H new ATOM 0 HD2 LYS A 31 -16.332 -3.936 1.744 1.00 75.43 H new ATOM 0 HD3 LYS A 31 -18.049 -4.246 1.577 1.00 75.43 H new ATOM 0 HE2 LYS A 31 -15.826 -5.563 -0.039 1.00 2.35 H new ATOM 0 HE3 LYS A 31 -16.736 -6.311 1.258 1.00 2.35 H new ATOM 0 HZ1 LYS A 31 -17.571 -6.990 -0.880 1.00 11.52 H new ATOM 0 HZ2 LYS A 31 -18.754 -6.078 -0.071 1.00 11.52 H new ATOM 0 HZ3 LYS A 31 -17.857 -5.378 -1.332 1.00 11.52 H new ATOM 479 N VAL A 32 -15.735 1.094 0.404 1.00 41.13 N ATOM 480 CA VAL A 32 -15.303 2.339 1.079 1.00 52.13 C ATOM 481 C VAL A 32 -15.124 3.515 0.084 1.00 12.32 C ATOM 482 O VAL A 32 -14.748 4.627 0.486 1.00 54.14 O ATOM 483 CB VAL A 32 -13.975 2.094 1.883 1.00 75.43 C ATOM 484 CG1 VAL A 32 -14.169 0.970 2.927 1.00 1.43 C ATOM 485 CG2 VAL A 32 -12.772 1.797 0.949 1.00 41.22 C ATOM 0 H VAL A 32 -14.961 0.477 0.156 1.00 41.13 H new ATOM 0 HA VAL A 32 -16.095 2.621 1.773 1.00 52.13 H new ATOM 0 HB VAL A 32 -13.739 3.017 2.413 1.00 75.43 H new ATOM 0 HG11 VAL A 32 -13.238 0.816 3.473 1.00 1.43 H new ATOM 0 HG12 VAL A 32 -14.956 1.254 3.625 1.00 1.43 H new ATOM 0 HG13 VAL A 32 -14.449 0.047 2.420 1.00 1.43 H new ATOM 0 HG21 VAL A 32 -11.877 1.635 1.549 1.00 41.22 H new ATOM 0 HG22 VAL A 32 -12.981 0.904 0.360 1.00 41.22 H new ATOM 0 HG23 VAL A 32 -12.612 2.643 0.281 1.00 41.22 H new ATOM 495 N ASN A 33 -15.374 3.227 -1.216 1.00 0.01 N ATOM 496 CA ASN A 33 -15.372 4.220 -2.323 1.00 3.33 C ATOM 497 C ASN A 33 -13.962 4.811 -2.615 1.00 44.51 C ATOM 498 O ASN A 33 -13.839 5.782 -3.377 1.00 2.32 O ATOM 499 CB ASN A 33 -16.422 5.346 -2.066 1.00 23.24 C ATOM 500 CG ASN A 33 -17.851 4.813 -1.941 1.00 14.11 C ATOM 501 OD1 ASN A 33 -18.331 4.510 -0.851 1.00 12.43 O ATOM 502 ND2 ASN A 33 -18.542 4.682 -3.053 1.00 72.44 N ATOM 0 H ASN A 33 -15.587 2.281 -1.533 1.00 0.01 H new ATOM 0 HA ASN A 33 -15.662 3.679 -3.224 1.00 3.33 H new ATOM 0 HB2 ASN A 33 -16.158 5.880 -1.153 1.00 23.24 H new ATOM 0 HB3 ASN A 33 -16.379 6.068 -2.881 1.00 23.24 H new ATOM 0 HD21 ASN A 33 -19.496 4.323 -3.021 1.00 72.44 H new ATOM 0 HD22 ASN A 33 -18.124 4.940 -3.947 1.00 72.44 H new ATOM 509 N LEU A 34 -12.900 4.219 -2.031 1.00 33.51 N ATOM 510 CA LEU A 34 -11.501 4.620 -2.317 1.00 63.23 C ATOM 511 C LEU A 34 -10.970 3.805 -3.509 1.00 61.23 C ATOM 512 O LEU A 34 -11.362 2.654 -3.700 1.00 40.31 O ATOM 513 CB LEU A 34 -10.570 4.388 -1.090 1.00 25.45 C ATOM 514 CG LEU A 34 -10.983 5.086 0.244 1.00 3.54 C ATOM 515 CD1 LEU A 34 -10.016 4.704 1.388 1.00 41.31 C ATOM 516 CD2 LEU A 34 -11.073 6.623 0.074 1.00 31.22 C ATOM 0 H LEU A 34 -12.982 3.459 -1.356 1.00 33.51 H new ATOM 0 HA LEU A 34 -11.501 5.685 -2.548 1.00 63.23 H new ATOM 0 HB2 LEU A 34 -10.508 3.315 -0.908 1.00 25.45 H new ATOM 0 HB3 LEU A 34 -9.568 4.725 -1.355 1.00 25.45 H new ATOM 0 HG LEU A 34 -11.978 4.730 0.512 1.00 3.54 H new ATOM 0 HD11 LEU A 34 -10.324 5.203 2.307 1.00 41.31 H new ATOM 0 HD12 LEU A 34 -10.037 3.624 1.537 1.00 41.31 H new ATOM 0 HD13 LEU A 34 -9.004 5.015 1.128 1.00 41.31 H new ATOM 0 HD21 LEU A 34 -11.363 7.078 1.021 1.00 31.22 H new ATOM 0 HD22 LEU A 34 -10.103 7.012 -0.234 1.00 31.22 H new ATOM 0 HD23 LEU A 34 -11.817 6.862 -0.686 1.00 31.22 H new ATOM 528 N SER A 35 -10.078 4.410 -4.309 1.00 14.52 N ATOM 529 CA SER A 35 -9.366 3.692 -5.392 1.00 11.01 C ATOM 530 C SER A 35 -8.467 2.570 -4.815 1.00 32.24 C ATOM 531 O SER A 35 -8.030 2.665 -3.664 1.00 14.33 O ATOM 532 CB SER A 35 -8.517 4.686 -6.216 1.00 14.44 C ATOM 533 OG SER A 35 -7.910 4.041 -7.323 1.00 3.24 O ATOM 0 H SER A 35 -9.829 5.396 -4.231 1.00 14.52 H new ATOM 0 HA SER A 35 -10.108 3.231 -6.044 1.00 11.01 H new ATOM 0 HB2 SER A 35 -9.147 5.503 -6.567 1.00 14.44 H new ATOM 0 HB3 SER A 35 -7.748 5.126 -5.581 1.00 14.44 H new ATOM 0 HG SER A 35 -7.380 4.691 -7.830 1.00 3.24 H new ATOM 539 N VAL A 36 -8.201 1.514 -5.614 1.00 51.12 N ATOM 540 CA VAL A 36 -7.371 0.350 -5.184 1.00 41.32 C ATOM 541 C VAL A 36 -5.964 0.804 -4.710 1.00 2.21 C ATOM 542 O VAL A 36 -5.454 0.319 -3.699 1.00 63.11 O ATOM 543 CB VAL A 36 -7.222 -0.707 -6.344 1.00 12.14 C ATOM 544 CG1 VAL A 36 -6.384 -1.945 -5.908 1.00 12.22 C ATOM 545 CG2 VAL A 36 -8.610 -1.124 -6.896 1.00 75.42 C ATOM 0 H VAL A 36 -8.549 1.437 -6.570 1.00 51.12 H new ATOM 0 HA VAL A 36 -7.889 -0.118 -4.347 1.00 41.32 H new ATOM 0 HB VAL A 36 -6.670 -0.226 -7.151 1.00 12.14 H new ATOM 0 HG11 VAL A 36 -6.309 -2.645 -6.740 1.00 12.22 H new ATOM 0 HG12 VAL A 36 -5.385 -1.623 -5.614 1.00 12.22 H new ATOM 0 HG13 VAL A 36 -6.870 -2.435 -5.065 1.00 12.22 H new ATOM 0 HG21 VAL A 36 -8.480 -1.854 -7.695 1.00 75.42 H new ATOM 0 HG22 VAL A 36 -9.203 -1.565 -6.095 1.00 75.42 H new ATOM 0 HG23 VAL A 36 -9.125 -0.246 -7.287 1.00 75.42 H new ATOM 555 N GLU A 37 -5.370 1.745 -5.465 1.00 42.21 N ATOM 556 CA GLU A 37 -4.082 2.386 -5.107 1.00 54.03 C ATOM 557 C GLU A 37 -4.169 3.185 -3.772 1.00 0.55 C ATOM 558 O GLU A 37 -3.270 3.091 -2.931 1.00 31.23 O ATOM 559 CB GLU A 37 -3.614 3.312 -6.253 1.00 43.11 C ATOM 560 CG GLU A 37 -3.406 2.622 -7.614 1.00 33.45 C ATOM 561 CD GLU A 37 -2.818 3.569 -8.679 1.00 23.34 C ATOM 562 OE1 GLU A 37 -1.583 3.667 -8.777 1.00 61.34 O ATOM 563 OE2 GLU A 37 -3.593 4.237 -9.407 1.00 11.51 O ATOM 0 H GLU A 37 -5.765 2.086 -6.341 1.00 42.21 H new ATOM 0 HA GLU A 37 -3.353 1.589 -4.959 1.00 54.03 H new ATOM 0 HB2 GLU A 37 -4.348 4.109 -6.377 1.00 43.11 H new ATOM 0 HB3 GLU A 37 -2.677 3.784 -5.957 1.00 43.11 H new ATOM 0 HG2 GLU A 37 -2.740 1.768 -7.486 1.00 33.45 H new ATOM 0 HG3 GLU A 37 -4.360 2.232 -7.968 1.00 33.45 H new ATOM 570 N SER A 38 -5.272 3.955 -3.589 1.00 33.54 N ATOM 571 CA SER A 38 -5.545 4.716 -2.325 1.00 43.34 C ATOM 572 C SER A 38 -5.697 3.775 -1.115 1.00 73.43 C ATOM 573 O SER A 38 -5.318 4.125 0.005 1.00 21.34 O ATOM 574 CB SER A 38 -6.821 5.587 -2.457 1.00 23.30 C ATOM 575 OG SER A 38 -6.644 6.626 -3.399 1.00 23.22 O ATOM 0 H SER A 38 -5.994 4.071 -4.300 1.00 33.54 H new ATOM 0 HA SER A 38 -4.684 5.364 -2.160 1.00 43.34 H new ATOM 0 HB2 SER A 38 -7.661 4.961 -2.758 1.00 23.30 H new ATOM 0 HB3 SER A 38 -7.074 6.014 -1.486 1.00 23.30 H new ATOM 0 HG SER A 38 -7.507 7.055 -3.579 1.00 23.22 H new ATOM 581 N THR A 39 -6.242 2.580 -1.374 1.00 43.14 N ATOM 582 CA THR A 39 -6.512 1.561 -0.342 1.00 54.13 C ATOM 583 C THR A 39 -5.221 0.818 0.078 1.00 65.52 C ATOM 584 O THR A 39 -4.906 0.772 1.255 1.00 53.10 O ATOM 585 CB THR A 39 -7.587 0.544 -0.852 1.00 53.22 C ATOM 586 OG1 THR A 39 -8.822 1.238 -1.085 1.00 5.12 O ATOM 587 CG2 THR A 39 -7.832 -0.616 0.128 1.00 71.01 C ATOM 0 H THR A 39 -6.512 2.287 -2.313 1.00 43.14 H new ATOM 0 HA THR A 39 -6.898 2.074 0.539 1.00 54.13 H new ATOM 0 HB THR A 39 -7.204 0.107 -1.774 1.00 53.22 H new ATOM 0 HG1 THR A 39 -8.748 1.771 -1.904 1.00 5.12 H new ATOM 0 HG21 THR A 39 -8.587 -1.286 -0.283 1.00 71.01 H new ATOM 0 HG22 THR A 39 -6.903 -1.166 0.280 1.00 71.01 H new ATOM 0 HG23 THR A 39 -8.179 -0.219 1.082 1.00 71.01 H new ATOM 595 N ALA A 40 -4.477 0.266 -0.903 1.00 22.53 N ATOM 596 CA ALA A 40 -3.229 -0.531 -0.673 1.00 30.13 C ATOM 597 C ALA A 40 -2.128 0.273 0.057 1.00 3.12 C ATOM 598 O ALA A 40 -1.442 -0.235 0.951 1.00 43.11 O ATOM 599 CB ALA A 40 -2.692 -1.040 -2.020 1.00 11.24 C ATOM 0 H ALA A 40 -4.718 0.355 -1.890 1.00 22.53 H new ATOM 0 HA ALA A 40 -3.494 -1.367 -0.026 1.00 30.13 H new ATOM 0 HB1 ALA A 40 -1.784 -1.620 -1.854 1.00 11.24 H new ATOM 0 HB2 ALA A 40 -3.443 -1.670 -2.496 1.00 11.24 H new ATOM 0 HB3 ALA A 40 -2.467 -0.191 -2.666 1.00 11.24 H new ATOM 605 N LEU A 41 -1.984 1.531 -0.358 1.00 42.45 N ATOM 606 CA LEU A 41 -1.073 2.509 0.255 1.00 53.42 C ATOM 607 C LEU A 41 -1.527 2.837 1.712 1.00 23.10 C ATOM 608 O LEU A 41 -0.695 2.960 2.625 1.00 1.15 O ATOM 609 CB LEU A 41 -1.013 3.743 -0.708 1.00 63.13 C ATOM 610 CG LEU A 41 -0.229 5.034 -0.288 1.00 52.35 C ATOM 611 CD1 LEU A 41 -1.094 5.969 0.564 1.00 1.04 C ATOM 612 CD2 LEU A 41 1.106 4.713 0.412 1.00 1.32 C ATOM 0 H LEU A 41 -2.507 1.911 -1.147 1.00 42.45 H new ATOM 0 HA LEU A 41 -0.060 2.123 0.369 1.00 53.42 H new ATOM 0 HB2 LEU A 41 -0.586 3.398 -1.650 1.00 63.13 H new ATOM 0 HB3 LEU A 41 -2.041 4.042 -0.915 1.00 63.13 H new ATOM 0 HG LEU A 41 0.018 5.558 -1.211 1.00 52.35 H new ATOM 0 HD11 LEU A 41 -0.516 6.852 0.836 1.00 1.04 H new ATOM 0 HD12 LEU A 41 -1.973 6.271 -0.006 1.00 1.04 H new ATOM 0 HD13 LEU A 41 -1.409 5.449 1.469 1.00 1.04 H new ATOM 0 HD21 LEU A 41 1.608 5.642 0.682 1.00 1.32 H new ATOM 0 HD22 LEU A 41 0.914 4.130 1.313 1.00 1.32 H new ATOM 0 HD23 LEU A 41 1.742 4.140 -0.262 1.00 1.32 H new ATOM 624 N ALA A 42 -2.857 2.938 1.917 1.00 43.24 N ATOM 625 CA ALA A 42 -3.459 3.171 3.254 1.00 14.21 C ATOM 626 C ALA A 42 -3.297 1.933 4.193 1.00 12.21 C ATOM 627 O ALA A 42 -3.203 2.084 5.415 1.00 64.12 O ATOM 628 CB ALA A 42 -4.941 3.536 3.101 1.00 11.11 C ATOM 0 H ALA A 42 -3.544 2.861 1.167 1.00 43.24 H new ATOM 0 HA ALA A 42 -2.926 4.000 3.719 1.00 14.21 H new ATOM 0 HB1 ALA A 42 -5.377 3.706 4.085 1.00 11.11 H new ATOM 0 HB2 ALA A 42 -5.033 4.442 2.502 1.00 11.11 H new ATOM 0 HB3 ALA A 42 -5.468 2.720 2.607 1.00 11.11 H new ATOM 634 N VAL A 43 -3.282 0.712 3.600 1.00 14.21 N ATOM 635 CA VAL A 43 -2.965 -0.554 4.319 1.00 51.12 C ATOM 636 C VAL A 43 -1.531 -0.500 4.897 1.00 3.51 C ATOM 637 O VAL A 43 -1.279 -0.981 6.003 1.00 61.32 O ATOM 638 CB VAL A 43 -3.112 -1.816 3.372 1.00 33.25 C ATOM 639 CG1 VAL A 43 -2.669 -3.135 4.066 1.00 1.02 C ATOM 640 CG2 VAL A 43 -4.557 -1.947 2.829 1.00 13.30 C ATOM 0 H VAL A 43 -3.489 0.575 2.611 1.00 14.21 H new ATOM 0 HA VAL A 43 -3.682 -0.656 5.134 1.00 51.12 H new ATOM 0 HB VAL A 43 -2.439 -1.650 2.531 1.00 33.25 H new ATOM 0 HG11 VAL A 43 -2.790 -3.969 3.374 1.00 1.02 H new ATOM 0 HG12 VAL A 43 -1.623 -3.057 4.361 1.00 1.02 H new ATOM 0 HG13 VAL A 43 -3.284 -3.305 4.950 1.00 1.02 H new ATOM 0 HG21 VAL A 43 -4.625 -2.822 2.183 1.00 13.30 H new ATOM 0 HG22 VAL A 43 -5.250 -2.057 3.663 1.00 13.30 H new ATOM 0 HG23 VAL A 43 -4.814 -1.054 2.259 1.00 13.30 H new ATOM 650 N GLY A 44 -0.610 0.103 4.123 1.00 44.41 N ATOM 651 CA GLY A 44 0.766 0.352 4.575 1.00 32.23 C ATOM 652 C GLY A 44 0.868 1.339 5.751 1.00 75.30 C ATOM 653 O GLY A 44 1.773 1.224 6.586 1.00 34.25 O ATOM 0 H GLY A 44 -0.799 0.428 3.175 1.00 44.41 H new ATOM 0 HA2 GLY A 44 1.218 -0.595 4.868 1.00 32.23 H new ATOM 0 HA3 GLY A 44 1.348 0.738 3.738 1.00 32.23 H new ATOM 657 N TRP A 45 -0.058 2.320 5.813 1.00 53.45 N ATOM 658 CA TRP A 45 -0.145 3.271 6.954 1.00 61.22 C ATOM 659 C TRP A 45 -0.653 2.552 8.229 1.00 25.54 C ATOM 660 O TRP A 45 -0.206 2.840 9.344 1.00 10.32 O ATOM 661 CB TRP A 45 -1.068 4.468 6.605 1.00 23.04 C ATOM 662 CG TRP A 45 -1.116 5.539 7.681 1.00 0.12 C ATOM 663 CD1 TRP A 45 -2.067 5.710 8.652 1.00 22.14 C ATOM 664 CD2 TRP A 45 -0.145 6.562 7.901 1.00 73.41 C ATOM 665 NE1 TRP A 45 -1.760 6.789 9.430 1.00 64.12 N ATOM 666 CE2 TRP A 45 -0.584 7.329 8.994 1.00 60.23 C ATOM 667 CE3 TRP A 45 1.050 6.906 7.269 1.00 71.44 C ATOM 668 CZ2 TRP A 45 0.128 8.424 9.467 1.00 52.31 C ATOM 669 CZ3 TRP A 45 1.758 7.988 7.740 1.00 24.35 C ATOM 670 CH2 TRP A 45 1.296 8.738 8.831 1.00 2.44 C ATOM 0 H TRP A 45 -0.758 2.478 5.088 1.00 53.45 H new ATOM 0 HA TRP A 45 0.856 3.655 7.150 1.00 61.22 H new ATOM 0 HB2 TRP A 45 -0.727 4.918 5.673 1.00 23.04 H new ATOM 0 HB3 TRP A 45 -2.078 4.097 6.429 1.00 23.04 H new ATOM 0 HD1 TRP A 45 -2.935 5.081 8.783 1.00 22.14 H new ATOM 0 HE1 TRP A 45 -2.318 7.135 10.210 1.00 64.12 H new ATOM 0 HE3 TRP A 45 1.412 6.335 6.427 1.00 71.44 H new ATOM 0 HZ2 TRP A 45 -0.228 9.005 10.305 1.00 52.31 H new ATOM 0 HZ3 TRP A 45 2.686 8.264 7.261 1.00 24.35 H new ATOM 0 HH2 TRP A 45 1.875 9.582 9.176 1.00 2.44 H new ATOM 681 N LEU A 46 -1.595 1.614 8.047 1.00 12.23 N ATOM 682 CA LEU A 46 -2.064 0.730 9.134 1.00 33.21 C ATOM 683 C LEU A 46 -0.949 -0.243 9.578 1.00 30.20 C ATOM 684 O LEU A 46 -0.856 -0.577 10.747 1.00 51.02 O ATOM 685 CB LEU A 46 -3.325 -0.050 8.690 1.00 71.13 C ATOM 686 CG LEU A 46 -4.601 0.808 8.458 1.00 61.14 C ATOM 687 CD1 LEU A 46 -5.765 -0.048 7.908 1.00 12.43 C ATOM 688 CD2 LEU A 46 -5.007 1.551 9.757 1.00 4.20 C ATOM 0 H LEU A 46 -2.052 1.445 7.151 1.00 12.23 H new ATOM 0 HA LEU A 46 -2.325 1.353 9.989 1.00 33.21 H new ATOM 0 HB2 LEU A 46 -3.094 -0.582 7.767 1.00 71.13 H new ATOM 0 HB3 LEU A 46 -3.548 -0.804 9.445 1.00 71.13 H new ATOM 0 HG LEU A 46 -4.368 1.558 7.702 1.00 61.14 H new ATOM 0 HD11 LEU A 46 -6.641 0.583 7.757 1.00 12.43 H new ATOM 0 HD12 LEU A 46 -5.471 -0.494 6.958 1.00 12.43 H new ATOM 0 HD13 LEU A 46 -6.005 -0.837 8.621 1.00 12.43 H new ATOM 0 HD21 LEU A 46 -5.902 2.145 9.572 1.00 4.20 H new ATOM 0 HD22 LEU A 46 -5.210 0.824 10.543 1.00 4.20 H new ATOM 0 HD23 LEU A 46 -4.195 2.207 10.070 1.00 4.20 H new ATOM 700 N ALA A 47 -0.121 -0.707 8.619 1.00 74.04 N ATOM 701 CA ALA A 47 1.087 -1.522 8.903 1.00 20.32 C ATOM 702 C ALA A 47 2.109 -0.738 9.767 1.00 70.42 C ATOM 703 O ALA A 47 2.732 -1.317 10.668 1.00 4.52 O ATOM 704 CB ALA A 47 1.724 -2.008 7.587 1.00 21.53 C ATOM 0 H ALA A 47 -0.268 -0.529 7.625 1.00 74.04 H new ATOM 0 HA ALA A 47 0.781 -2.395 9.480 1.00 20.32 H new ATOM 0 HB1 ALA A 47 2.609 -2.604 7.810 1.00 21.53 H new ATOM 0 HB2 ALA A 47 1.005 -2.616 7.038 1.00 21.53 H new ATOM 0 HB3 ALA A 47 2.009 -1.148 6.981 1.00 21.53 H new ATOM 710 N ARG A 48 2.255 0.583 9.489 1.00 52.25 N ATOM 711 CA ARG A 48 3.041 1.527 10.335 1.00 24.41 C ATOM 712 C ARG A 48 2.539 1.513 11.803 1.00 54.13 C ATOM 713 O ARG A 48 3.324 1.381 12.752 1.00 55.32 O ATOM 714 CB ARG A 48 2.929 2.976 9.755 1.00 62.00 C ATOM 715 CG ARG A 48 3.343 4.108 10.732 1.00 0.25 C ATOM 716 CD ARG A 48 3.112 5.519 10.173 1.00 44.21 C ATOM 717 NE ARG A 48 3.544 6.553 11.134 1.00 54.03 N ATOM 718 CZ ARG A 48 4.140 7.691 10.834 1.00 43.23 C ATOM 719 NH1 ARG A 48 4.425 8.003 9.608 1.00 4.12 N ATOM 720 NH2 ARG A 48 4.432 8.513 11.781 1.00 35.21 N ATOM 0 H ARG A 48 1.833 1.026 8.673 1.00 52.25 H new ATOM 0 HA ARG A 48 4.083 1.206 10.326 1.00 24.41 H new ATOM 0 HB2 ARG A 48 3.550 3.042 8.862 1.00 62.00 H new ATOM 0 HB3 ARG A 48 1.899 3.147 9.441 1.00 62.00 H new ATOM 0 HG2 ARG A 48 2.782 3.998 11.660 1.00 0.25 H new ATOM 0 HG3 ARG A 48 4.398 3.993 10.981 1.00 0.25 H new ATOM 0 HD2 ARG A 48 3.660 5.636 9.238 1.00 44.21 H new ATOM 0 HD3 ARG A 48 2.055 5.653 9.942 1.00 44.21 H new ATOM 0 HE ARG A 48 3.365 6.371 12.121 1.00 54.03 H new ATOM 0 HH11 ARG A 48 4.188 7.362 8.850 1.00 4.12 H new ATOM 0 HH12 ARG A 48 4.886 8.889 9.401 1.00 4.12 H new ATOM 0 HH21 ARG A 48 4.202 8.280 12.747 1.00 35.21 H new ATOM 0 HH22 ARG A 48 4.893 9.397 11.565 1.00 35.21 H new ATOM 734 N GLU A 49 1.209 1.654 11.963 1.00 71.42 N ATOM 735 CA GLU A 49 0.532 1.645 13.283 1.00 2.22 C ATOM 736 C GLU A 49 0.366 0.200 13.835 1.00 10.21 C ATOM 737 O GLU A 49 -0.085 0.007 14.972 1.00 12.54 O ATOM 738 CB GLU A 49 -0.844 2.350 13.148 1.00 2.12 C ATOM 739 CG GLU A 49 -0.774 3.768 12.543 1.00 32.30 C ATOM 740 CD GLU A 49 -2.156 4.430 12.409 1.00 53.31 C ATOM 741 OE1 GLU A 49 -2.925 4.034 11.507 1.00 22.24 O ATOM 742 OE2 GLU A 49 -2.487 5.328 13.217 1.00 5.45 O ATOM 0 H GLU A 49 0.568 1.778 11.180 1.00 71.42 H new ATOM 0 HA GLU A 49 1.151 2.185 14.000 1.00 2.22 H new ATOM 0 HB2 GLU A 49 -1.495 1.735 12.527 1.00 2.12 H new ATOM 0 HB3 GLU A 49 -1.306 2.410 14.133 1.00 2.12 H new ATOM 0 HG2 GLU A 49 -0.136 4.393 13.168 1.00 32.30 H new ATOM 0 HG3 GLU A 49 -0.305 3.716 11.561 1.00 32.30 H new ATOM 749 N ASN A 50 0.736 -0.795 12.990 1.00 32.20 N ATOM 750 CA ASN A 50 0.662 -2.250 13.282 1.00 42.02 C ATOM 751 C ASN A 50 -0.789 -2.730 13.534 1.00 4.34 C ATOM 752 O ASN A 50 -1.003 -3.788 14.127 1.00 40.33 O ATOM 753 CB ASN A 50 1.619 -2.636 14.447 1.00 4.12 C ATOM 754 CG ASN A 50 3.085 -2.358 14.105 1.00 14.41 C ATOM 755 OD1 ASN A 50 3.786 -3.213 13.569 1.00 0.45 O ATOM 756 ND2 ASN A 50 3.560 -1.162 14.391 1.00 13.21 N ATOM 0 H ASN A 50 1.105 -0.602 12.059 1.00 32.20 H new ATOM 0 HA ASN A 50 1.002 -2.776 12.390 1.00 42.02 H new ATOM 0 HB2 ASN A 50 1.344 -2.077 15.342 1.00 4.12 H new ATOM 0 HB3 ASN A 50 1.496 -3.693 14.681 1.00 4.12 H new ATOM 0 HD21 ASN A 50 4.528 -0.931 14.167 1.00 13.21 H new ATOM 0 HD22 ASN A 50 2.960 -0.468 14.836 1.00 13.21 H new ATOM 763 N LYS A 51 -1.776 -1.963 13.008 1.00 11.14 N ATOM 764 CA LYS A 51 -3.217 -2.241 13.155 1.00 0.21 C ATOM 765 C LYS A 51 -3.728 -3.353 12.209 1.00 22.40 C ATOM 766 O LYS A 51 -4.895 -3.767 12.313 1.00 21.25 O ATOM 767 CB LYS A 51 -4.042 -0.940 12.955 1.00 24.01 C ATOM 768 CG LYS A 51 -3.810 0.142 14.039 1.00 43.22 C ATOM 769 CD LYS A 51 -4.040 -0.382 15.486 1.00 22.01 C ATOM 770 CE LYS A 51 -5.455 -0.947 15.730 1.00 50.02 C ATOM 771 NZ LYS A 51 -5.600 -1.547 17.082 1.00 55.31 N ATOM 0 H LYS A 51 -1.585 -1.123 12.463 1.00 11.14 H new ATOM 0 HA LYS A 51 -3.357 -2.612 14.170 1.00 0.21 H new ATOM 0 HB2 LYS A 51 -3.799 -0.517 11.980 1.00 24.01 H new ATOM 0 HB3 LYS A 51 -5.101 -1.196 12.936 1.00 24.01 H new ATOM 0 HG2 LYS A 51 -2.791 0.520 13.954 1.00 43.22 H new ATOM 0 HG3 LYS A 51 -4.478 0.983 13.853 1.00 43.22 H new ATOM 0 HD2 LYS A 51 -3.307 -1.160 15.701 1.00 22.01 H new ATOM 0 HD3 LYS A 51 -3.858 0.431 16.189 1.00 22.01 H new ATOM 0 HE2 LYS A 51 -6.188 -0.149 15.609 1.00 50.02 H new ATOM 0 HE3 LYS A 51 -5.677 -1.701 14.975 1.00 50.02 H new ATOM 0 HZ1 LYS A 51 -6.092 -2.460 17.006 1.00 55.31 H new ATOM 0 HZ2 LYS A 51 -4.659 -1.694 17.499 1.00 55.31 H new ATOM 0 HZ3 LYS A 51 -6.151 -0.907 17.689 1.00 55.31 H new ATOM 785 N VAL A 52 -2.863 -3.843 11.306 1.00 33.33 N ATOM 786 CA VAL A 52 -3.210 -4.924 10.355 1.00 61.34 C ATOM 787 C VAL A 52 -2.125 -6.024 10.296 1.00 11.24 C ATOM 788 O VAL A 52 -0.940 -5.766 10.545 1.00 5.21 O ATOM 789 CB VAL A 52 -3.449 -4.358 8.899 1.00 2.11 C ATOM 790 CG1 VAL A 52 -4.701 -3.457 8.853 1.00 50.31 C ATOM 791 CG2 VAL A 52 -2.204 -3.601 8.371 1.00 21.15 C ATOM 0 H VAL A 52 -1.905 -3.506 11.211 1.00 33.33 H new ATOM 0 HA VAL A 52 -4.133 -5.367 10.728 1.00 61.34 H new ATOM 0 HB VAL A 52 -3.620 -5.210 8.242 1.00 2.11 H new ATOM 0 HG11 VAL A 52 -4.842 -3.081 7.840 1.00 50.31 H new ATOM 0 HG12 VAL A 52 -5.576 -4.035 9.151 1.00 50.31 H new ATOM 0 HG13 VAL A 52 -4.571 -2.618 9.536 1.00 50.31 H new ATOM 0 HG21 VAL A 52 -2.405 -3.226 7.367 1.00 21.15 H new ATOM 0 HG22 VAL A 52 -1.979 -2.765 9.033 1.00 21.15 H new ATOM 0 HG23 VAL A 52 -1.351 -4.279 8.341 1.00 21.15 H new ATOM 801 N VAL A 53 -2.563 -7.254 9.965 1.00 32.41 N ATOM 802 CA VAL A 53 -1.675 -8.390 9.637 1.00 50.22 C ATOM 803 C VAL A 53 -2.036 -8.923 8.221 1.00 31.03 C ATOM 804 O VAL A 53 -3.184 -9.275 7.942 1.00 55.10 O ATOM 805 CB VAL A 53 -1.722 -9.549 10.728 1.00 44.21 C ATOM 806 CG1 VAL A 53 -1.080 -9.083 12.066 1.00 14.34 C ATOM 807 CG2 VAL A 53 -3.158 -10.063 10.974 1.00 30.12 C ATOM 0 H VAL A 53 -3.554 -7.491 9.917 1.00 32.41 H new ATOM 0 HA VAL A 53 -0.646 -8.029 9.641 1.00 50.22 H new ATOM 0 HB VAL A 53 -1.140 -10.379 10.328 1.00 44.21 H new ATOM 0 HG11 VAL A 53 -1.126 -9.894 12.793 1.00 14.34 H new ATOM 0 HG12 VAL A 53 -0.039 -8.808 11.894 1.00 14.34 H new ATOM 0 HG13 VAL A 53 -1.625 -8.220 12.450 1.00 14.34 H new ATOM 0 HG21 VAL A 53 -3.138 -10.852 11.726 1.00 30.12 H new ATOM 0 HG22 VAL A 53 -3.783 -9.242 11.326 1.00 30.12 H new ATOM 0 HG23 VAL A 53 -3.567 -10.458 10.044 1.00 30.12 H new ATOM 817 N ILE A 54 -1.050 -8.907 7.304 1.00 25.21 N ATOM 818 CA ILE A 54 -1.244 -9.319 5.892 1.00 52.42 C ATOM 819 C ILE A 54 -0.700 -10.750 5.703 1.00 62.10 C ATOM 820 O ILE A 54 0.473 -11.016 5.998 1.00 41.35 O ATOM 821 CB ILE A 54 -0.551 -8.328 4.862 1.00 62.52 C ATOM 822 CG1 ILE A 54 -1.201 -6.892 4.903 1.00 53.24 C ATOM 823 CG2 ILE A 54 -0.579 -8.905 3.416 1.00 45.43 C ATOM 824 CD1 ILE A 54 -0.809 -6.031 6.095 1.00 33.44 C ATOM 0 H ILE A 54 -0.098 -8.610 7.516 1.00 25.21 H new ATOM 0 HA ILE A 54 -2.313 -9.289 5.682 1.00 52.42 H new ATOM 0 HB ILE A 54 0.490 -8.227 5.168 1.00 62.52 H new ATOM 0 HG12 ILE A 54 -0.930 -6.363 3.989 1.00 53.24 H new ATOM 0 HG13 ILE A 54 -2.285 -7.002 4.897 1.00 53.24 H new ATOM 0 HG21 ILE A 54 -0.097 -8.203 2.735 1.00 45.43 H new ATOM 0 HG22 ILE A 54 -0.047 -9.856 3.393 1.00 45.43 H new ATOM 0 HG23 ILE A 54 -1.612 -9.060 3.106 1.00 45.43 H new ATOM 0 HD11 ILE A 54 -1.310 -5.065 6.027 1.00 33.44 H new ATOM 0 HD12 ILE A 54 -1.106 -6.530 7.018 1.00 33.44 H new ATOM 0 HD13 ILE A 54 0.271 -5.880 6.096 1.00 33.44 H new ATOM 836 N GLU A 55 -1.556 -11.665 5.205 1.00 72.11 N ATOM 837 CA GLU A 55 -1.200 -13.090 5.012 1.00 51.01 C ATOM 838 C GLU A 55 -1.378 -13.542 3.544 1.00 32.51 C ATOM 839 O GLU A 55 -2.245 -13.038 2.825 1.00 54.14 O ATOM 840 CB GLU A 55 -2.054 -13.994 5.939 1.00 45.02 C ATOM 841 CG GLU A 55 -1.838 -13.786 7.454 1.00 35.50 C ATOM 842 CD GLU A 55 -2.624 -14.805 8.301 1.00 24.13 C ATOM 843 OE1 GLU A 55 -2.233 -16.002 8.313 1.00 23.34 O ATOM 844 OE2 GLU A 55 -3.649 -14.436 8.918 1.00 12.43 O ATOM 0 H GLU A 55 -2.511 -11.441 4.925 1.00 72.11 H new ATOM 0 HA GLU A 55 -0.146 -13.191 5.270 1.00 51.01 H new ATOM 0 HB2 GLU A 55 -3.107 -13.824 5.713 1.00 45.02 H new ATOM 0 HB3 GLU A 55 -1.840 -15.036 5.699 1.00 45.02 H new ATOM 0 HG2 GLU A 55 -0.775 -13.870 7.682 1.00 35.50 H new ATOM 0 HG3 GLU A 55 -2.144 -12.776 7.727 1.00 35.50 H new ATOM 851 N ARG A 56 -0.532 -14.500 3.115 1.00 41.31 N ATOM 852 CA ARG A 56 -0.671 -15.186 1.814 1.00 55.33 C ATOM 853 C ARG A 56 -1.321 -16.576 2.008 1.00 3.04 C ATOM 854 O ARG A 56 -0.726 -17.468 2.623 1.00 32.14 O ATOM 855 CB ARG A 56 0.710 -15.340 1.116 1.00 12.14 C ATOM 856 CG ARG A 56 1.343 -14.023 0.611 1.00 61.42 C ATOM 857 CD ARG A 56 2.653 -14.284 -0.162 1.00 61.51 C ATOM 858 NE ARG A 56 3.184 -13.081 -0.824 1.00 71.52 N ATOM 859 CZ ARG A 56 2.919 -12.712 -2.064 1.00 23.03 C ATOM 860 NH1 ARG A 56 2.037 -13.337 -2.790 1.00 44.15 N ATOM 861 NH2 ARG A 56 3.537 -11.695 -2.566 1.00 10.12 N ATOM 0 H ARG A 56 0.268 -14.820 3.661 1.00 41.31 H new ATOM 0 HA ARG A 56 -1.313 -14.577 1.178 1.00 55.33 H new ATOM 0 HB2 ARG A 56 1.401 -15.812 1.814 1.00 12.14 H new ATOM 0 HB3 ARG A 56 0.598 -16.018 0.270 1.00 12.14 H new ATOM 0 HG2 ARG A 56 0.636 -13.503 -0.035 1.00 61.42 H new ATOM 0 HG3 ARG A 56 1.544 -13.367 1.458 1.00 61.42 H new ATOM 0 HD2 ARG A 56 3.403 -14.673 0.527 1.00 61.51 H new ATOM 0 HD3 ARG A 56 2.478 -15.056 -0.911 1.00 61.51 H new ATOM 0 HE ARG A 56 3.807 -12.484 -0.281 1.00 71.52 H new ATOM 0 HH11 ARG A 56 1.530 -14.134 -2.404 1.00 44.15 H new ATOM 0 HH12 ARG A 56 1.853 -13.030 -3.745 1.00 44.15 H new ATOM 0 HH21 ARG A 56 4.221 -11.187 -2.006 1.00 10.12 H new ATOM 0 HH22 ARG A 56 3.341 -11.400 -3.523 1.00 10.12 H new ATOM 875 N LYS A 57 -2.550 -16.736 1.497 1.00 4.20 N ATOM 876 CA LYS A 57 -3.269 -18.037 1.461 1.00 52.44 C ATOM 877 C LYS A 57 -3.254 -18.577 0.018 1.00 10.31 C ATOM 878 O LYS A 57 -3.878 -17.988 -0.870 1.00 12.33 O ATOM 879 CB LYS A 57 -4.745 -17.901 1.963 1.00 2.14 C ATOM 880 CG LYS A 57 -4.928 -17.801 3.494 1.00 15.23 C ATOM 881 CD LYS A 57 -4.388 -16.492 4.113 1.00 20.44 C ATOM 882 CE LYS A 57 -4.683 -16.401 5.618 1.00 60.44 C ATOM 883 NZ LYS A 57 -4.002 -17.453 6.409 1.00 71.40 N ATOM 0 H LYS A 57 -3.085 -15.967 1.092 1.00 4.20 H new ATOM 0 HA LYS A 57 -2.759 -18.730 2.131 1.00 52.44 H new ATOM 0 HB2 LYS A 57 -5.184 -17.015 1.505 1.00 2.14 H new ATOM 0 HB3 LYS A 57 -5.312 -18.760 1.604 1.00 2.14 H new ATOM 0 HG2 LYS A 57 -5.989 -17.890 3.728 1.00 15.23 H new ATOM 0 HG3 LYS A 57 -4.426 -18.646 3.965 1.00 15.23 H new ATOM 0 HD2 LYS A 57 -3.312 -16.431 3.950 1.00 20.44 H new ATOM 0 HD3 LYS A 57 -4.836 -15.639 3.604 1.00 20.44 H new ATOM 0 HE2 LYS A 57 -4.374 -15.422 5.984 1.00 60.44 H new ATOM 0 HE3 LYS A 57 -5.759 -16.475 5.776 1.00 60.44 H new ATOM 0 HZ1 LYS A 57 -4.713 -18.051 6.877 1.00 71.40 H new ATOM 0 HZ2 LYS A 57 -3.419 -18.039 5.778 1.00 71.40 H new ATOM 0 HZ3 LYS A 57 -3.396 -17.009 7.128 1.00 71.40 H new ATOM 897 N ASN A 58 -2.530 -19.702 -0.194 1.00 1.23 N ATOM 898 CA ASN A 58 -2.290 -20.316 -1.532 1.00 72.11 C ATOM 899 C ASN A 58 -1.642 -19.308 -2.532 1.00 73.23 C ATOM 900 O ASN A 58 -1.817 -19.412 -3.754 1.00 34.05 O ATOM 901 CB ASN A 58 -3.618 -20.909 -2.090 1.00 3.53 C ATOM 902 CG ASN A 58 -4.303 -21.880 -1.116 1.00 5.11 C ATOM 903 OD1 ASN A 58 -3.653 -22.594 -0.358 1.00 14.04 O ATOM 904 ND2 ASN A 58 -5.621 -21.898 -1.114 1.00 53.22 N ATOM 0 H ASN A 58 -2.088 -20.219 0.566 1.00 1.23 H new ATOM 0 HA ASN A 58 -1.573 -21.128 -1.410 1.00 72.11 H new ATOM 0 HB2 ASN A 58 -4.303 -20.094 -2.322 1.00 3.53 H new ATOM 0 HB3 ASN A 58 -3.412 -21.428 -3.026 1.00 3.53 H new ATOM 0 HD21 ASN A 58 -6.122 -22.514 -0.474 1.00 53.22 H new ATOM 0 HD22 ASN A 58 -6.140 -21.296 -1.753 1.00 53.22 H new ATOM 911 N GLY A 59 -0.840 -18.376 -1.977 1.00 11.02 N ATOM 912 CA GLY A 59 -0.223 -17.274 -2.743 1.00 54.12 C ATOM 913 C GLY A 59 -1.040 -15.963 -2.726 1.00 20.23 C ATOM 914 O GLY A 59 -0.469 -14.871 -2.838 1.00 51.41 O ATOM 0 H GLY A 59 -0.602 -18.366 -0.985 1.00 11.02 H new ATOM 0 HA2 GLY A 59 0.770 -17.076 -2.340 1.00 54.12 H new ATOM 0 HA3 GLY A 59 -0.090 -17.594 -3.777 1.00 54.12 H new ATOM 918 N LEU A 60 -2.379 -16.077 -2.557 1.00 0.23 N ATOM 919 CA LEU A 60 -3.323 -14.925 -2.617 1.00 1.34 C ATOM 920 C LEU A 60 -3.209 -14.035 -1.355 1.00 61.10 C ATOM 921 O LEU A 60 -3.220 -14.535 -0.235 1.00 24.23 O ATOM 922 CB LEU A 60 -4.800 -15.421 -2.785 1.00 73.04 C ATOM 923 CG LEU A 60 -5.193 -16.044 -4.173 1.00 52.20 C ATOM 924 CD1 LEU A 60 -4.490 -17.397 -4.444 1.00 2.24 C ATOM 925 CD2 LEU A 60 -6.731 -16.178 -4.302 1.00 4.13 C ATOM 0 H LEU A 60 -2.840 -16.969 -2.375 1.00 0.23 H new ATOM 0 HA LEU A 60 -3.049 -14.327 -3.486 1.00 1.34 H new ATOM 0 HB2 LEU A 60 -4.997 -16.165 -2.013 1.00 73.04 H new ATOM 0 HB3 LEU A 60 -5.464 -14.578 -2.593 1.00 73.04 H new ATOM 0 HG LEU A 60 -4.839 -15.354 -4.939 1.00 52.20 H new ATOM 0 HD11 LEU A 60 -4.800 -17.780 -5.417 1.00 2.24 H new ATOM 0 HD12 LEU A 60 -3.410 -17.253 -4.438 1.00 2.24 H new ATOM 0 HD13 LEU A 60 -4.765 -18.112 -3.669 1.00 2.24 H new ATOM 0 HD21 LEU A 60 -6.978 -16.612 -5.271 1.00 4.13 H new ATOM 0 HD22 LEU A 60 -7.108 -16.824 -3.509 1.00 4.13 H new ATOM 0 HD23 LEU A 60 -7.190 -15.193 -4.217 1.00 4.13 H new ATOM 937 N ILE A 61 -3.115 -12.713 -1.557 1.00 65.21 N ATOM 938 CA ILE A 61 -2.904 -11.735 -0.468 1.00 31.43 C ATOM 939 C ILE A 61 -4.251 -11.238 0.119 1.00 53.12 C ATOM 940 O ILE A 61 -5.103 -10.723 -0.610 1.00 11.53 O ATOM 941 CB ILE A 61 -2.047 -10.527 -1.000 1.00 32.12 C ATOM 942 CG1 ILE A 61 -0.658 -11.050 -1.495 1.00 62.31 C ATOM 943 CG2 ILE A 61 -1.889 -9.411 0.068 1.00 52.24 C ATOM 944 CD1 ILE A 61 0.254 -9.998 -2.093 1.00 61.23 C ATOM 0 H ILE A 61 -3.183 -12.286 -2.481 1.00 65.21 H new ATOM 0 HA ILE A 61 -2.363 -12.230 0.339 1.00 31.43 H new ATOM 0 HB ILE A 61 -2.574 -10.074 -1.840 1.00 32.12 H new ATOM 0 HG12 ILE A 61 -0.144 -11.518 -0.655 1.00 62.31 H new ATOM 0 HG13 ILE A 61 -0.826 -11.828 -2.240 1.00 62.31 H new ATOM 0 HG21 ILE A 61 -1.291 -8.597 -0.342 1.00 52.24 H new ATOM 0 HG22 ILE A 61 -2.872 -9.033 0.348 1.00 52.24 H new ATOM 0 HG23 ILE A 61 -1.393 -9.818 0.949 1.00 52.24 H new ATOM 0 HD11 ILE A 61 1.190 -10.462 -2.405 1.00 61.23 H new ATOM 0 HD12 ILE A 61 -0.231 -9.544 -2.957 1.00 61.23 H new ATOM 0 HD13 ILE A 61 0.461 -9.230 -1.348 1.00 61.23 H new ATOM 956 N GLU A 62 -4.412 -11.402 1.446 1.00 73.35 N ATOM 957 CA GLU A 62 -5.617 -10.982 2.204 1.00 60.41 C ATOM 958 C GLU A 62 -5.197 -10.101 3.410 1.00 11.53 C ATOM 959 O GLU A 62 -4.199 -10.398 4.087 1.00 62.41 O ATOM 960 CB GLU A 62 -6.401 -12.233 2.708 1.00 33.52 C ATOM 961 CG GLU A 62 -6.963 -13.164 1.609 1.00 71.13 C ATOM 962 CD GLU A 62 -8.121 -12.532 0.808 1.00 51.24 C ATOM 963 OE1 GLU A 62 -9.272 -12.532 1.308 1.00 61.24 O ATOM 964 OE2 GLU A 62 -7.899 -12.043 -0.318 1.00 73.35 O ATOM 0 H GLU A 62 -3.701 -11.836 2.035 1.00 73.35 H new ATOM 0 HA GLU A 62 -6.265 -10.404 1.545 1.00 60.41 H new ATOM 0 HB2 GLU A 62 -5.741 -12.817 3.350 1.00 33.52 H new ATOM 0 HB3 GLU A 62 -7.230 -11.893 3.328 1.00 33.52 H new ATOM 0 HG2 GLU A 62 -6.159 -13.431 0.923 1.00 71.13 H new ATOM 0 HG3 GLU A 62 -7.311 -14.089 2.069 1.00 71.13 H new ATOM 971 N ILE A 63 -5.960 -9.025 3.673 1.00 44.02 N ATOM 972 CA ILE A 63 -5.725 -8.122 4.828 1.00 53.04 C ATOM 973 C ILE A 63 -6.615 -8.539 6.038 1.00 34.30 C ATOM 974 O ILE A 63 -7.803 -8.863 5.883 1.00 62.52 O ATOM 975 CB ILE A 63 -5.973 -6.603 4.444 1.00 41.22 C ATOM 976 CG1 ILE A 63 -5.708 -5.655 5.669 1.00 44.15 C ATOM 977 CG2 ILE A 63 -7.390 -6.384 3.860 1.00 25.35 C ATOM 978 CD1 ILE A 63 -6.029 -4.184 5.432 1.00 73.34 C ATOM 0 H ILE A 63 -6.756 -8.752 3.096 1.00 44.02 H new ATOM 0 HA ILE A 63 -4.678 -8.219 5.116 1.00 53.04 H new ATOM 0 HB ILE A 63 -5.258 -6.345 3.663 1.00 41.22 H new ATOM 0 HG12 ILE A 63 -6.298 -6.007 6.515 1.00 44.15 H new ATOM 0 HG13 ILE A 63 -4.659 -5.740 5.954 1.00 44.15 H new ATOM 0 HG21 ILE A 63 -7.522 -5.331 3.609 1.00 25.35 H new ATOM 0 HG22 ILE A 63 -7.511 -6.989 2.961 1.00 25.35 H new ATOM 0 HG23 ILE A 63 -8.137 -6.677 4.598 1.00 25.35 H new ATOM 0 HD11 ILE A 63 -5.812 -3.614 6.336 1.00 73.34 H new ATOM 0 HD12 ILE A 63 -5.420 -3.807 4.610 1.00 73.34 H new ATOM 0 HD13 ILE A 63 -7.084 -4.078 5.180 1.00 73.34 H new ATOM 990 N TYR A 64 -6.005 -8.545 7.240 1.00 31.25 N ATOM 991 CA TYR A 64 -6.665 -8.915 8.517 1.00 30.32 C ATOM 992 C TYR A 64 -6.393 -7.836 9.598 1.00 50.42 C ATOM 993 O TYR A 64 -5.564 -6.952 9.398 1.00 40.23 O ATOM 994 CB TYR A 64 -6.123 -10.294 8.998 1.00 52.14 C ATOM 995 CG TYR A 64 -6.412 -11.457 8.040 1.00 43.30 C ATOM 996 CD1 TYR A 64 -7.626 -12.137 8.081 1.00 34.43 C ATOM 997 CD2 TYR A 64 -5.479 -11.850 7.074 1.00 63.41 C ATOM 998 CE1 TYR A 64 -7.897 -13.170 7.209 1.00 21.11 C ATOM 999 CE2 TYR A 64 -5.753 -12.875 6.196 1.00 43.42 C ATOM 1000 CZ TYR A 64 -6.965 -13.530 6.265 1.00 64.53 C ATOM 1001 OH TYR A 64 -7.254 -14.546 5.375 1.00 42.14 O ATOM 0 H TYR A 64 -5.024 -8.290 7.357 1.00 31.25 H new ATOM 0 HA TYR A 64 -7.741 -8.981 8.356 1.00 30.32 H new ATOM 0 HB2 TYR A 64 -5.045 -10.217 9.142 1.00 52.14 H new ATOM 0 HB3 TYR A 64 -6.559 -10.523 9.970 1.00 52.14 H new ATOM 0 HD1 TYR A 64 -8.370 -11.850 8.810 1.00 34.43 H new ATOM 0 HD2 TYR A 64 -4.528 -11.341 7.016 1.00 63.41 H new ATOM 0 HE1 TYR A 64 -8.839 -13.695 7.268 1.00 21.11 H new ATOM 0 HE2 TYR A 64 -5.022 -13.165 5.456 1.00 43.42 H new ATOM 0 HH TYR A 64 -6.614 -14.523 4.633 1.00 42.14 H new ATOM 1011 N ASN A 65 -7.104 -7.918 10.742 1.00 33.10 N ATOM 1012 CA ASN A 65 -6.832 -7.074 11.940 1.00 2.13 C ATOM 1013 C ASN A 65 -5.749 -7.736 12.828 1.00 1.10 C ATOM 1014 O ASN A 65 -5.577 -8.962 12.798 1.00 3.32 O ATOM 1015 CB ASN A 65 -8.123 -6.888 12.787 1.00 1.21 C ATOM 1016 CG ASN A 65 -9.260 -6.206 12.034 1.00 15.35 C ATOM 1017 OD1 ASN A 65 -10.040 -6.857 11.347 1.00 64.42 O ATOM 1018 ND2 ASN A 65 -9.382 -4.895 12.169 1.00 71.03 N ATOM 0 H ASN A 65 -7.881 -8.566 10.868 1.00 33.10 H new ATOM 0 HA ASN A 65 -6.483 -6.102 11.591 1.00 2.13 H new ATOM 0 HB2 ASN A 65 -8.463 -7.864 13.133 1.00 1.21 H new ATOM 0 HB3 ASN A 65 -7.883 -6.301 13.674 1.00 1.21 H new ATOM 0 HD21 ASN A 65 -10.139 -4.402 11.695 1.00 71.03 H new ATOM 0 HD22 ASN A 65 -8.719 -4.378 12.747 1.00 71.03 H new ATOM 1025 N GLU A 66 -5.037 -6.924 13.629 1.00 1.43 N ATOM 1026 CA GLU A 66 -4.137 -7.440 14.698 1.00 54.41 C ATOM 1027 C GLU A 66 -4.938 -8.020 15.900 1.00 42.34 C ATOM 1028 O GLU A 66 -6.170 -8.130 15.850 1.00 73.22 O ATOM 1029 CB GLU A 66 -3.131 -6.338 15.170 1.00 31.54 C ATOM 1030 CG GLU A 66 -3.701 -4.912 15.377 1.00 11.12 C ATOM 1031 CD GLU A 66 -4.905 -4.784 16.323 1.00 63.43 C ATOM 1032 OE1 GLU A 66 -4.722 -4.907 17.554 1.00 1.13 O ATOM 1033 OE2 GLU A 66 -6.037 -4.543 15.835 1.00 51.13 O ATOM 0 H GLU A 66 -5.061 -5.906 13.563 1.00 1.43 H new ATOM 0 HA GLU A 66 -3.562 -8.260 14.267 1.00 54.41 H new ATOM 0 HB2 GLU A 66 -2.685 -6.665 16.109 1.00 31.54 H new ATOM 0 HB3 GLU A 66 -2.325 -6.279 14.439 1.00 31.54 H new ATOM 0 HG2 GLU A 66 -2.901 -4.277 15.756 1.00 11.12 H new ATOM 0 HG3 GLU A 66 -3.989 -4.515 14.403 1.00 11.12 H new ATOM 1327 N LYS B 3 5.898 -9.916 8.869 1.00 21.22 N ATOM 1328 CA LYS B 3 6.209 -8.466 8.782 1.00 31.20 C ATOM 1329 C LYS B 3 7.560 -8.196 8.054 1.00 45.34 C ATOM 1330 O LYS B 3 7.745 -7.124 7.466 1.00 65.20 O ATOM 1331 CB LYS B 3 6.210 -7.835 10.204 1.00 22.11 C ATOM 1332 CG LYS B 3 6.300 -6.288 10.237 1.00 31.33 C ATOM 1333 CD LYS B 3 5.064 -5.583 9.614 1.00 64.25 C ATOM 1334 CE LYS B 3 3.760 -5.827 10.396 1.00 44.22 C ATOM 1335 NZ LYS B 3 3.855 -5.350 11.801 1.00 1.15 N ATOM 0 HA LYS B 3 5.429 -7.995 8.183 1.00 31.20 H new ATOM 0 HB2 LYS B 3 5.301 -8.142 10.721 1.00 22.11 H new ATOM 0 HB3 LYS B 3 7.050 -8.244 10.766 1.00 22.11 H new ATOM 0 HG2 LYS B 3 6.413 -5.960 11.270 1.00 31.33 H new ATOM 0 HG3 LYS B 3 7.196 -5.972 9.703 1.00 31.33 H new ATOM 0 HD2 LYS B 3 5.254 -4.511 9.564 1.00 64.25 H new ATOM 0 HD3 LYS B 3 4.935 -5.932 8.589 1.00 64.25 H new ATOM 0 HE2 LYS B 3 2.936 -5.318 9.895 1.00 44.22 H new ATOM 0 HE3 LYS B 3 3.527 -6.892 10.390 1.00 44.22 H new ATOM 0 HZ1 LYS B 3 2.945 -5.502 12.282 1.00 1.15 H new ATOM 0 HZ2 LYS B 3 4.601 -5.878 12.297 1.00 1.15 H new ATOM 0 HZ3 LYS B 3 4.085 -4.336 11.808 1.00 1.15 H new ATOM 1349 N LYS B 4 8.495 -9.178 8.082 1.00 12.43 N ATOM 1350 CA LYS B 4 9.786 -9.069 7.338 1.00 63.30 C ATOM 1351 C LYS B 4 9.561 -9.042 5.808 1.00 41.13 C ATOM 1352 O LYS B 4 10.446 -8.620 5.065 1.00 60.53 O ATOM 1353 CB LYS B 4 10.759 -10.229 7.686 1.00 44.04 C ATOM 1354 CG LYS B 4 11.118 -10.359 9.181 1.00 62.43 C ATOM 1355 CD LYS B 4 11.839 -9.113 9.746 1.00 35.45 C ATOM 1356 CE LYS B 4 12.233 -9.284 11.221 1.00 71.21 C ATOM 1357 NZ LYS B 4 11.050 -9.521 12.091 1.00 1.40 N ATOM 0 H LYS B 4 8.386 -10.047 8.604 1.00 12.43 H new ATOM 0 HA LYS B 4 10.236 -8.127 7.652 1.00 63.30 H new ATOM 0 HB2 LYS B 4 10.315 -11.167 7.353 1.00 44.04 H new ATOM 0 HB3 LYS B 4 11.679 -10.093 7.118 1.00 44.04 H new ATOM 0 HG2 LYS B 4 10.207 -10.534 9.753 1.00 62.43 H new ATOM 0 HG3 LYS B 4 11.754 -11.233 9.320 1.00 62.43 H new ATOM 0 HD2 LYS B 4 12.733 -8.914 9.155 1.00 35.45 H new ATOM 0 HD3 LYS B 4 11.190 -8.243 9.644 1.00 35.45 H new ATOM 0 HE2 LYS B 4 12.926 -10.120 11.316 1.00 71.21 H new ATOM 0 HE3 LYS B 4 12.760 -8.392 11.561 1.00 71.21 H new ATOM 0 HZ1 LYS B 4 11.342 -9.496 13.089 1.00 1.40 H new ATOM 0 HZ2 LYS B 4 10.339 -8.781 11.920 1.00 1.40 H new ATOM 0 HZ3 LYS B 4 10.640 -10.452 11.874 1.00 1.40 H new ATOM 1371 N ILE B 5 8.383 -9.529 5.354 1.00 12.22 N ATOM 1372 CA ILE B 5 7.975 -9.461 3.935 1.00 64.20 C ATOM 1373 C ILE B 5 7.890 -7.988 3.453 1.00 75.31 C ATOM 1374 O ILE B 5 8.620 -7.601 2.544 1.00 24.32 O ATOM 1375 CB ILE B 5 6.595 -10.183 3.678 1.00 31.12 C ATOM 1376 CG1 ILE B 5 6.656 -11.688 4.113 1.00 15.11 C ATOM 1377 CG2 ILE B 5 6.165 -10.053 2.190 1.00 22.44 C ATOM 1378 CD1 ILE B 5 5.341 -12.451 3.967 1.00 24.14 C ATOM 0 H ILE B 5 7.694 -9.977 5.958 1.00 12.22 H new ATOM 0 HA ILE B 5 8.742 -9.984 3.364 1.00 64.20 H new ATOM 0 HB ILE B 5 5.842 -9.687 4.290 1.00 31.12 H new ATOM 0 HG12 ILE B 5 7.420 -12.192 3.521 1.00 15.11 H new ATOM 0 HG13 ILE B 5 6.975 -11.738 5.154 1.00 15.11 H new ATOM 0 HG21 ILE B 5 5.211 -10.559 2.041 1.00 22.44 H new ATOM 0 HG22 ILE B 5 6.060 -8.999 1.932 1.00 22.44 H new ATOM 0 HG23 ILE B 5 6.921 -10.509 1.551 1.00 22.44 H new ATOM 0 HD11 ILE B 5 5.481 -13.482 4.292 1.00 24.14 H new ATOM 0 HD12 ILE B 5 4.575 -11.978 4.582 1.00 24.14 H new ATOM 0 HD13 ILE B 5 5.027 -12.439 2.923 1.00 24.14 H new ATOM 1390 N VAL B 6 7.026 -7.167 4.103 1.00 74.42 N ATOM 1391 CA VAL B 6 6.828 -5.744 3.708 1.00 13.51 C ATOM 1392 C VAL B 6 8.117 -4.902 3.915 1.00 42.20 C ATOM 1393 O VAL B 6 8.348 -3.938 3.190 1.00 24.34 O ATOM 1394 CB VAL B 6 5.620 -5.070 4.469 1.00 63.14 C ATOM 1395 CG1 VAL B 6 4.292 -5.817 4.187 1.00 44.12 C ATOM 1396 CG2 VAL B 6 5.888 -4.964 5.993 1.00 31.14 C ATOM 0 H VAL B 6 6.458 -7.461 4.898 1.00 74.42 H new ATOM 0 HA VAL B 6 6.589 -5.761 2.645 1.00 13.51 H new ATOM 0 HB VAL B 6 5.522 -4.055 4.084 1.00 63.14 H new ATOM 0 HG11 VAL B 6 3.479 -5.329 4.725 1.00 44.12 H new ATOM 0 HG12 VAL B 6 4.083 -5.797 3.117 1.00 44.12 H new ATOM 0 HG13 VAL B 6 4.378 -6.851 4.520 1.00 44.12 H new ATOM 0 HG21 VAL B 6 5.034 -4.495 6.481 1.00 31.14 H new ATOM 0 HG22 VAL B 6 6.039 -5.961 6.406 1.00 31.14 H new ATOM 0 HG23 VAL B 6 6.780 -4.361 6.165 1.00 31.14 H new ATOM 1406 N GLY B 7 8.941 -5.297 4.913 1.00 64.44 N ATOM 1407 CA GLY B 7 10.241 -4.658 5.169 1.00 24.11 C ATOM 1408 C GLY B 7 11.261 -4.899 4.051 1.00 70.40 C ATOM 1409 O GLY B 7 11.917 -3.958 3.576 1.00 44.52 O ATOM 0 H GLY B 7 8.722 -6.060 5.554 1.00 64.44 H new ATOM 0 HA2 GLY B 7 10.093 -3.585 5.293 1.00 24.11 H new ATOM 0 HA3 GLY B 7 10.645 -5.035 6.109 1.00 24.11 H new ATOM 1413 N ALA B 8 11.375 -6.176 3.632 1.00 43.02 N ATOM 1414 CA ALA B 8 12.231 -6.602 2.499 1.00 40.52 C ATOM 1415 C ALA B 8 11.776 -5.948 1.175 1.00 31.11 C ATOM 1416 O ALA B 8 12.601 -5.519 0.356 1.00 23.40 O ATOM 1417 CB ALA B 8 12.201 -8.137 2.366 1.00 24.43 C ATOM 0 H ALA B 8 10.873 -6.948 4.071 1.00 43.02 H new ATOM 0 HA ALA B 8 13.251 -6.275 2.704 1.00 40.52 H new ATOM 0 HB1 ALA B 8 12.832 -8.442 1.531 1.00 24.43 H new ATOM 0 HB2 ALA B 8 12.572 -8.589 3.286 1.00 24.43 H new ATOM 0 HB3 ALA B 8 11.178 -8.467 2.186 1.00 24.43 H new ATOM 1423 N ASN B 9 10.446 -5.877 0.988 1.00 2.04 N ATOM 1424 CA ASN B 9 9.824 -5.270 -0.202 1.00 41.12 C ATOM 1425 C ASN B 9 10.078 -3.752 -0.262 1.00 1.02 C ATOM 1426 O ASN B 9 10.432 -3.234 -1.310 1.00 22.03 O ATOM 1427 CB ASN B 9 8.300 -5.567 -0.246 1.00 73.22 C ATOM 1428 CG ASN B 9 7.982 -7.056 -0.385 1.00 72.04 C ATOM 1429 OD1 ASN B 9 8.779 -7.838 -0.899 1.00 42.42 O ATOM 1430 ND2 ASN B 9 6.804 -7.459 0.043 1.00 61.13 N ATOM 0 H ASN B 9 9.770 -6.240 1.660 1.00 2.04 H new ATOM 0 HA ASN B 9 10.290 -5.722 -1.077 1.00 41.12 H new ATOM 0 HB2 ASN B 9 7.835 -5.186 0.663 1.00 73.22 H new ATOM 0 HB3 ASN B 9 7.855 -5.027 -1.082 1.00 73.22 H new ATOM 0 HD21 ASN B 9 6.536 -8.439 -0.049 1.00 61.13 H new ATOM 0 HD22 ASN B 9 6.159 -6.791 0.466 1.00 61.13 H new ATOM 1437 N ALA B 10 9.964 -3.064 0.889 1.00 43.43 N ATOM 1438 CA ALA B 10 10.041 -1.585 0.959 1.00 13.31 C ATOM 1439 C ALA B 10 11.470 -1.065 0.698 1.00 35.34 C ATOM 1440 O ALA B 10 11.646 -0.010 0.091 1.00 64.45 O ATOM 1441 CB ALA B 10 9.536 -1.107 2.324 1.00 20.15 C ATOM 0 H ALA B 10 9.817 -3.510 1.794 1.00 43.43 H new ATOM 0 HA ALA B 10 9.406 -1.179 0.172 1.00 13.31 H new ATOM 0 HB1 ALA B 10 9.594 -0.020 2.373 1.00 20.15 H new ATOM 0 HB2 ALA B 10 8.501 -1.422 2.460 1.00 20.15 H new ATOM 0 HB3 ALA B 10 10.153 -1.539 3.112 1.00 20.15 H new ATOM 1447 N GLY B 11 12.478 -1.829 1.162 1.00 14.14 N ATOM 1448 CA GLY B 11 13.891 -1.502 0.909 1.00 61.24 C ATOM 1449 C GLY B 11 14.266 -1.572 -0.579 1.00 20.35 C ATOM 1450 O GLY B 11 15.034 -0.743 -1.079 1.00 22.55 O ATOM 0 H GLY B 11 12.338 -2.676 1.713 1.00 14.14 H new ATOM 0 HA2 GLY B 11 14.099 -0.500 1.284 1.00 61.24 H new ATOM 0 HA3 GLY B 11 14.524 -2.190 1.470 1.00 61.24 H new ATOM 1454 N LYS B 12 13.694 -2.570 -1.280 1.00 73.51 N ATOM 1455 CA LYS B 12 13.920 -2.794 -2.727 1.00 42.34 C ATOM 1456 C LYS B 12 13.132 -1.758 -3.580 1.00 53.13 C ATOM 1457 O LYS B 12 13.653 -1.212 -4.561 1.00 71.35 O ATOM 1458 CB LYS B 12 13.499 -4.245 -3.101 1.00 74.11 C ATOM 1459 CG LYS B 12 14.156 -4.798 -4.385 1.00 5.30 C ATOM 1460 CD LYS B 12 13.680 -6.233 -4.722 1.00 34.32 C ATOM 1461 CE LYS B 12 14.563 -6.924 -5.779 1.00 34.33 C ATOM 1462 NZ LYS B 12 14.663 -6.135 -7.034 1.00 1.55 N ATOM 0 H LYS B 12 13.059 -3.248 -0.859 1.00 73.51 H new ATOM 0 HA LYS B 12 14.980 -2.662 -2.942 1.00 42.34 H new ATOM 0 HB2 LYS B 12 13.745 -4.906 -2.270 1.00 74.11 H new ATOM 0 HB3 LYS B 12 12.416 -4.275 -3.222 1.00 74.11 H new ATOM 0 HG2 LYS B 12 13.927 -4.137 -5.221 1.00 5.30 H new ATOM 0 HG3 LYS B 12 15.239 -4.796 -4.265 1.00 5.30 H new ATOM 0 HD2 LYS B 12 13.675 -6.832 -3.812 1.00 34.32 H new ATOM 0 HD3 LYS B 12 12.652 -6.194 -5.083 1.00 34.32 H new ATOM 0 HE2 LYS B 12 15.561 -7.079 -5.370 1.00 34.33 H new ATOM 0 HE3 LYS B 12 14.154 -7.909 -6.003 1.00 34.33 H new ATOM 0 HZ1 LYS B 12 14.326 -6.709 -7.833 1.00 1.55 H new ATOM 0 HZ2 LYS B 12 14.079 -5.278 -6.953 1.00 1.55 H new ATOM 0 HZ3 LYS B 12 15.654 -5.865 -7.196 1.00 1.55 H new ATOM 1476 N VAL B 13 11.868 -1.505 -3.168 1.00 3.55 N ATOM 1477 CA VAL B 13 10.951 -0.539 -3.822 1.00 65.31 C ATOM 1478 C VAL B 13 11.503 0.904 -3.749 1.00 45.15 C ATOM 1479 O VAL B 13 11.555 1.599 -4.765 1.00 53.43 O ATOM 1480 CB VAL B 13 9.493 -0.629 -3.197 1.00 52.53 C ATOM 1481 CG1 VAL B 13 8.601 0.584 -3.575 1.00 54.44 C ATOM 1482 CG2 VAL B 13 8.801 -1.955 -3.616 1.00 11.12 C ATOM 0 H VAL B 13 11.450 -1.971 -2.363 1.00 3.55 H new ATOM 0 HA VAL B 13 10.883 -0.808 -4.876 1.00 65.31 H new ATOM 0 HB VAL B 13 9.615 -0.610 -2.114 1.00 52.53 H new ATOM 0 HG11 VAL B 13 7.617 0.468 -3.120 1.00 54.44 H new ATOM 0 HG12 VAL B 13 9.063 1.502 -3.212 1.00 54.44 H new ATOM 0 HG13 VAL B 13 8.496 0.635 -4.659 1.00 54.44 H new ATOM 0 HG21 VAL B 13 7.804 -1.999 -3.179 1.00 11.12 H new ATOM 0 HG22 VAL B 13 8.723 -1.997 -4.702 1.00 11.12 H new ATOM 0 HG23 VAL B 13 9.390 -2.801 -3.261 1.00 11.12 H new ATOM 1492 N TRP B 14 11.942 1.324 -2.542 1.00 43.10 N ATOM 1493 CA TRP B 14 12.519 2.675 -2.315 1.00 32.32 C ATOM 1494 C TRP B 14 13.842 2.868 -3.085 1.00 23.31 C ATOM 1495 O TRP B 14 14.141 3.973 -3.539 1.00 52.13 O ATOM 1496 CB TRP B 14 12.763 2.958 -0.811 1.00 2.45 C ATOM 1497 CG TRP B 14 13.093 4.412 -0.526 1.00 55.01 C ATOM 1498 CD1 TRP B 14 12.211 5.451 -0.454 1.00 54.23 C ATOM 1499 CD2 TRP B 14 14.392 4.983 -0.316 1.00 62.00 C ATOM 1500 NE1 TRP B 14 12.880 6.622 -0.218 1.00 52.15 N ATOM 1501 CE2 TRP B 14 14.219 6.360 -0.123 1.00 11.13 C ATOM 1502 CE3 TRP B 14 15.677 4.452 -0.279 1.00 50.45 C ATOM 1503 CZ2 TRP B 14 15.289 7.219 0.117 1.00 65.35 C ATOM 1504 CZ3 TRP B 14 16.745 5.298 -0.042 1.00 51.53 C ATOM 1505 CH2 TRP B 14 16.545 6.672 0.150 1.00 45.14 C ATOM 0 H TRP B 14 11.909 0.745 -1.703 1.00 43.10 H new ATOM 0 HA TRP B 14 11.781 3.383 -2.691 1.00 32.32 H new ATOM 0 HB2 TRP B 14 11.875 2.675 -0.245 1.00 2.45 H new ATOM 0 HB3 TRP B 14 13.580 2.330 -0.457 1.00 2.45 H new ATOM 0 HD1 TRP B 14 11.141 5.362 -0.567 1.00 54.23 H new ATOM 0 HE1 TRP B 14 12.449 7.542 -0.128 1.00 52.15 H new ATOM 0 HE3 TRP B 14 15.838 3.395 -0.433 1.00 50.45 H new ATOM 0 HZ2 TRP B 14 15.134 8.277 0.271 1.00 65.35 H new ATOM 0 HZ3 TRP B 14 17.746 4.895 -0.004 1.00 51.53 H new ATOM 0 HH2 TRP B 14 17.397 7.312 0.327 1.00 45.14 H new ATOM 1516 N HIS B 15 14.635 1.787 -3.198 1.00 42.13 N ATOM 1517 CA HIS B 15 15.923 1.817 -3.924 1.00 70.35 C ATOM 1518 C HIS B 15 15.687 2.073 -5.432 1.00 1.22 C ATOM 1519 O HIS B 15 16.328 2.936 -6.023 1.00 23.43 O ATOM 1520 CB HIS B 15 16.708 0.499 -3.697 1.00 20.12 C ATOM 1521 CG HIS B 15 18.163 0.575 -4.095 1.00 41.54 C ATOM 1522 ND1 HIS B 15 19.127 1.130 -3.281 1.00 62.32 N ATOM 1523 CD2 HIS B 15 18.817 0.166 -5.209 1.00 23.44 C ATOM 1524 CE1 HIS B 15 20.299 1.060 -3.870 1.00 63.41 C ATOM 1525 NE2 HIS B 15 20.142 0.479 -5.037 1.00 44.23 N ATOM 0 H HIS B 15 14.408 0.878 -2.795 1.00 42.13 H new ATOM 0 HA HIS B 15 16.525 2.637 -3.532 1.00 70.35 H new ATOM 0 HB2 HIS B 15 16.644 0.227 -2.644 1.00 20.12 H new ATOM 0 HB3 HIS B 15 16.228 -0.300 -4.263 1.00 20.12 H new ATOM 0 HD2 HIS B 15 18.378 -0.316 -6.070 1.00 23.44 H new ATOM 0 HE1 HIS B 15 21.233 1.419 -3.464 1.00 63.41 H new ATOM 0 HE2 HIS B 15 20.886 0.290 -5.709 1.00 44.23 H new ATOM 1534 N ALA B 16 14.723 1.339 -6.023 1.00 42.10 N ATOM 1535 CA ALA B 16 14.318 1.512 -7.445 1.00 44.02 C ATOM 1536 C ALA B 16 13.542 2.843 -7.677 1.00 33.14 C ATOM 1537 O ALA B 16 13.504 3.354 -8.795 1.00 73.13 O ATOM 1538 CB ALA B 16 13.483 0.308 -7.906 1.00 45.43 C ATOM 0 H ALA B 16 14.201 0.611 -5.536 1.00 42.10 H new ATOM 0 HA ALA B 16 15.228 1.566 -8.043 1.00 44.02 H new ATOM 0 HB1 ALA B 16 13.192 0.445 -8.947 1.00 45.43 H new ATOM 0 HB2 ALA B 16 14.074 -0.603 -7.811 1.00 45.43 H new ATOM 0 HB3 ALA B 16 12.589 0.227 -7.287 1.00 45.43 H new ATOM 1544 N LEU B 17 12.902 3.354 -6.608 1.00 31.42 N ATOM 1545 CA LEU B 17 12.260 4.697 -6.570 1.00 2.15 C ATOM 1546 C LEU B 17 13.343 5.815 -6.514 1.00 23.32 C ATOM 1547 O LEU B 17 13.149 6.917 -7.039 1.00 1.14 O ATOM 1548 CB LEU B 17 11.269 4.718 -5.346 1.00 23.03 C ATOM 1549 CG LEU B 17 10.535 6.046 -4.923 1.00 41.43 C ATOM 1550 CD1 LEU B 17 11.386 6.898 -3.955 1.00 40.04 C ATOM 1551 CD2 LEU B 17 10.050 6.858 -6.145 1.00 64.41 C ATOM 0 H LEU B 17 12.811 2.844 -5.730 1.00 31.42 H new ATOM 0 HA LEU B 17 11.688 4.894 -7.477 1.00 2.15 H new ATOM 0 HB2 LEU B 17 10.497 3.976 -5.547 1.00 23.03 H new ATOM 0 HB3 LEU B 17 11.827 4.370 -4.477 1.00 23.03 H new ATOM 0 HG LEU B 17 9.642 5.749 -4.373 1.00 41.43 H new ATOM 0 HD11 LEU B 17 10.840 7.803 -3.691 1.00 40.04 H new ATOM 0 HD12 LEU B 17 11.595 6.324 -3.052 1.00 40.04 H new ATOM 0 HD13 LEU B 17 12.325 7.169 -4.438 1.00 40.04 H new ATOM 0 HD21 LEU B 17 9.550 7.765 -5.804 1.00 64.41 H new ATOM 0 HD22 LEU B 17 10.905 7.126 -6.766 1.00 64.41 H new ATOM 0 HD23 LEU B 17 9.353 6.256 -6.728 1.00 64.41 H new ATOM 1563 N ASN B 18 14.489 5.517 -5.874 1.00 13.12 N ATOM 1564 CA ASN B 18 15.645 6.442 -5.815 1.00 65.13 C ATOM 1565 C ASN B 18 16.309 6.536 -7.218 1.00 64.24 C ATOM 1566 O ASN B 18 16.764 7.609 -7.626 1.00 1.10 O ATOM 1567 CB ASN B 18 16.664 5.962 -4.724 1.00 20.24 C ATOM 1568 CG ASN B 18 17.599 7.052 -4.156 1.00 54.32 C ATOM 1569 OD1 ASN B 18 18.011 6.977 -3.004 1.00 20.43 O ATOM 1570 ND2 ASN B 18 17.957 8.066 -4.929 1.00 11.13 N ATOM 0 H ASN B 18 14.643 4.635 -5.385 1.00 13.12 H new ATOM 0 HA ASN B 18 15.305 7.439 -5.533 1.00 65.13 H new ATOM 0 HB2 ASN B 18 16.104 5.523 -3.898 1.00 20.24 H new ATOM 0 HB3 ASN B 18 17.278 5.169 -5.150 1.00 20.24 H new ATOM 0 HD21 ASN B 18 18.578 8.789 -4.566 1.00 11.13 H new ATOM 0 HD22 ASN B 18 17.611 8.124 -5.887 1.00 11.13 H new ATOM 1577 N GLU B 19 16.339 5.398 -7.946 1.00 31.23 N ATOM 1578 CA GLU B 19 16.876 5.328 -9.330 1.00 71.33 C ATOM 1579 C GLU B 19 15.907 6.018 -10.328 1.00 73.13 C ATOM 1580 O GLU B 19 16.314 6.860 -11.136 1.00 21.04 O ATOM 1581 CB GLU B 19 17.112 3.844 -9.763 1.00 71.01 C ATOM 1582 CG GLU B 19 17.886 2.957 -8.757 1.00 12.14 C ATOM 1583 CD GLU B 19 19.177 3.600 -8.222 1.00 64.42 C ATOM 1584 OE1 GLU B 19 20.185 3.642 -8.959 1.00 45.02 O ATOM 1585 OE2 GLU B 19 19.195 4.068 -7.056 1.00 72.31 O ATOM 0 H GLU B 19 15.994 4.504 -7.596 1.00 31.23 H new ATOM 0 HA GLU B 19 17.832 5.852 -9.343 1.00 71.33 H new ATOM 0 HB2 GLU B 19 16.142 3.383 -9.952 1.00 71.01 H new ATOM 0 HB3 GLU B 19 17.654 3.844 -10.708 1.00 71.01 H new ATOM 0 HG2 GLU B 19 17.233 2.724 -7.916 1.00 12.14 H new ATOM 0 HG3 GLU B 19 18.135 2.012 -9.239 1.00 12.14 H new ATOM 1592 N ALA B 20 14.619 5.643 -10.246 1.00 73.33 N ATOM 1593 CA ALA B 20 13.546 6.174 -11.114 1.00 61.00 C ATOM 1594 C ALA B 20 12.598 7.080 -10.297 1.00 4.32 C ATOM 1595 O ALA B 20 11.605 6.617 -9.725 1.00 50.33 O ATOM 1596 CB ALA B 20 12.782 5.011 -11.783 1.00 44.43 C ATOM 0 H ALA B 20 14.287 4.956 -9.569 1.00 73.33 H new ATOM 0 HA ALA B 20 13.989 6.782 -11.903 1.00 61.00 H new ATOM 0 HB1 ALA B 20 11.994 5.412 -12.420 1.00 44.43 H new ATOM 0 HB2 ALA B 20 13.472 4.422 -12.387 1.00 44.43 H new ATOM 0 HB3 ALA B 20 12.340 4.377 -11.015 1.00 44.43 H new ATOM 1602 N ASP B 21 12.968 8.365 -10.199 1.00 25.04 N ATOM 1603 CA ASP B 21 12.167 9.399 -9.502 1.00 31.32 C ATOM 1604 C ASP B 21 10.847 9.714 -10.260 1.00 54.50 C ATOM 1605 O ASP B 21 10.870 10.052 -11.450 1.00 41.12 O ATOM 1606 CB ASP B 21 13.030 10.677 -9.283 1.00 21.31 C ATOM 1607 CG ASP B 21 13.842 11.102 -10.522 1.00 20.33 C ATOM 1608 OD1 ASP B 21 14.990 10.633 -10.679 1.00 4.31 O ATOM 1609 OD2 ASP B 21 13.342 11.891 -11.341 1.00 52.11 O ATOM 0 H ASP B 21 13.834 8.725 -10.601 1.00 25.04 H new ATOM 0 HA ASP B 21 11.874 9.011 -8.527 1.00 31.32 H new ATOM 0 HB2 ASP B 21 12.377 11.499 -8.989 1.00 21.31 H new ATOM 0 HB3 ASP B 21 13.716 10.503 -8.454 1.00 21.31 H new ATOM 1614 N GLY B 22 9.704 9.586 -9.555 1.00 55.40 N ATOM 1615 CA GLY B 22 8.385 9.799 -10.164 1.00 52.11 C ATOM 1616 C GLY B 22 7.947 8.621 -11.028 1.00 62.33 C ATOM 1617 O GLY B 22 7.777 8.753 -12.246 1.00 13.21 O ATOM 0 H GLY B 22 9.673 9.337 -8.566 1.00 55.40 H new ATOM 0 HA2 GLY B 22 7.647 9.964 -9.379 1.00 52.11 H new ATOM 0 HA3 GLY B 22 8.410 10.703 -10.773 1.00 52.11 H new ATOM 1621 N ILE B 23 7.777 7.456 -10.386 1.00 22.51 N ATOM 1622 CA ILE B 23 7.459 6.185 -11.069 1.00 30.11 C ATOM 1623 C ILE B 23 6.070 5.646 -10.614 1.00 53.32 C ATOM 1624 O ILE B 23 5.720 5.717 -9.431 1.00 23.04 O ATOM 1625 CB ILE B 23 8.612 5.126 -10.818 1.00 45.20 C ATOM 1626 CG1 ILE B 23 8.412 3.825 -11.678 1.00 71.23 C ATOM 1627 CG2 ILE B 23 8.765 4.797 -9.306 1.00 1.43 C ATOM 1628 CD1 ILE B 23 8.455 4.044 -13.187 1.00 34.51 C ATOM 0 H ILE B 23 7.856 7.364 -9.373 1.00 22.51 H new ATOM 0 HA ILE B 23 7.399 6.366 -12.142 1.00 30.11 H new ATOM 0 HB ILE B 23 9.545 5.584 -11.148 1.00 45.20 H new ATOM 0 HG12 ILE B 23 9.184 3.105 -11.407 1.00 71.23 H new ATOM 0 HG13 ILE B 23 7.453 3.377 -11.417 1.00 71.23 H new ATOM 0 HG21 ILE B 23 9.564 4.068 -9.171 1.00 1.43 H new ATOM 0 HG22 ILE B 23 9.008 5.707 -8.758 1.00 1.43 H new ATOM 0 HG23 ILE B 23 7.830 4.385 -8.927 1.00 1.43 H new ATOM 0 HD11 ILE B 23 8.308 3.092 -13.697 1.00 34.51 H new ATOM 0 HD12 ILE B 23 7.665 4.737 -13.477 1.00 34.51 H new ATOM 0 HD13 ILE B 23 9.423 4.460 -13.467 1.00 34.51 H new ATOM 1640 N SER B 24 5.272 5.140 -11.580 1.00 45.22 N ATOM 1641 CA SER B 24 3.952 4.505 -11.309 1.00 2.41 C ATOM 1642 C SER B 24 4.127 3.176 -10.545 1.00 73.33 C ATOM 1643 O SER B 24 5.106 2.468 -10.767 1.00 31.04 O ATOM 1644 CB SER B 24 3.197 4.249 -12.639 1.00 5.23 C ATOM 1645 OG SER B 24 2.934 5.462 -13.321 1.00 40.45 O ATOM 0 H SER B 24 5.519 5.157 -12.569 1.00 45.22 H new ATOM 0 HA SER B 24 3.369 5.187 -10.690 1.00 2.41 H new ATOM 0 HB2 SER B 24 3.789 3.592 -13.276 1.00 5.23 H new ATOM 0 HB3 SER B 24 2.259 3.733 -12.434 1.00 5.23 H new ATOM 0 HG SER B 24 2.459 5.271 -14.157 1.00 40.45 H new ATOM 1651 N ILE B 25 3.147 2.837 -9.678 1.00 31.04 N ATOM 1652 CA ILE B 25 3.202 1.632 -8.809 1.00 61.35 C ATOM 1653 C ILE B 25 3.387 0.285 -9.614 1.00 43.22 C ATOM 1654 O ILE B 25 4.278 -0.490 -9.260 1.00 40.32 O ATOM 1655 CB ILE B 25 1.927 1.531 -7.871 1.00 22.03 C ATOM 1656 CG1 ILE B 25 1.777 2.820 -6.992 1.00 21.43 C ATOM 1657 CG2 ILE B 25 1.962 0.246 -6.997 1.00 24.32 C ATOM 1658 CD1 ILE B 25 0.561 2.843 -6.069 1.00 51.15 C ATOM 0 H ILE B 25 2.296 3.387 -9.558 1.00 31.04 H new ATOM 0 HA ILE B 25 4.091 1.762 -8.192 1.00 61.35 H new ATOM 0 HB ILE B 25 1.048 1.459 -8.511 1.00 22.03 H new ATOM 0 HG12 ILE B 25 2.675 2.932 -6.385 1.00 21.43 H new ATOM 0 HG13 ILE B 25 1.728 3.686 -7.652 1.00 21.43 H new ATOM 0 HG21 ILE B 25 1.073 0.210 -6.367 1.00 24.32 H new ATOM 0 HG22 ILE B 25 1.985 -0.632 -7.642 1.00 24.32 H new ATOM 0 HG23 ILE B 25 2.852 0.258 -6.368 1.00 24.32 H new ATOM 0 HD11 ILE B 25 0.550 3.776 -5.505 1.00 51.15 H new ATOM 0 HD12 ILE B 25 -0.349 2.767 -6.664 1.00 51.15 H new ATOM 0 HD13 ILE B 25 0.613 2.002 -5.378 1.00 51.15 H new ATOM 1670 N PRO B 26 2.573 -0.027 -10.708 1.00 65.31 N ATOM 1671 CA PRO B 26 2.733 -1.302 -11.470 1.00 15.22 C ATOM 1672 C PRO B 26 4.049 -1.388 -12.289 1.00 61.12 C ATOM 1673 O PRO B 26 4.566 -2.481 -12.504 1.00 1.15 O ATOM 1674 CB PRO B 26 1.478 -1.334 -12.391 1.00 33.14 C ATOM 1675 CG PRO B 26 1.123 0.107 -12.584 1.00 2.04 C ATOM 1676 CD PRO B 26 1.437 0.777 -11.260 1.00 51.20 C ATOM 0 HA PRO B 26 2.805 -2.158 -10.799 1.00 15.22 H new ATOM 0 HB2 PRO B 26 1.695 -1.821 -13.342 1.00 33.14 H new ATOM 0 HB3 PRO B 26 0.660 -1.887 -11.929 1.00 33.14 H new ATOM 0 HG2 PRO B 26 1.701 0.549 -13.395 1.00 2.04 H new ATOM 0 HG3 PRO B 26 0.070 0.222 -12.843 1.00 2.04 H new ATOM 0 HD2 PRO B 26 1.717 1.821 -11.398 1.00 51.20 H new ATOM 0 HD3 PRO B 26 0.576 0.763 -10.591 1.00 51.20 H new ATOM 1684 N GLU B 27 4.594 -0.228 -12.703 1.00 12.23 N ATOM 1685 CA GLU B 27 5.870 -0.158 -13.457 1.00 31.43 C ATOM 1686 C GLU B 27 7.034 -0.511 -12.517 1.00 71.24 C ATOM 1687 O GLU B 27 7.843 -1.403 -12.783 1.00 55.40 O ATOM 1688 CB GLU B 27 6.072 1.268 -14.032 1.00 61.40 C ATOM 1689 CG GLU B 27 5.015 1.710 -15.066 1.00 1.10 C ATOM 1690 CD GLU B 27 5.016 0.852 -16.347 1.00 1.34 C ATOM 1691 OE1 GLU B 27 6.021 0.883 -17.092 1.00 10.32 O ATOM 1692 OE2 GLU B 27 4.016 0.155 -16.621 1.00 53.11 O ATOM 0 H GLU B 27 4.170 0.683 -12.528 1.00 12.23 H new ATOM 0 HA GLU B 27 5.840 -0.868 -14.284 1.00 31.43 H new ATOM 0 HB2 GLU B 27 6.071 1.980 -13.207 1.00 61.40 H new ATOM 0 HB3 GLU B 27 7.057 1.320 -14.496 1.00 61.40 H new ATOM 0 HG2 GLU B 27 4.027 1.664 -14.607 1.00 1.10 H new ATOM 0 HG3 GLU B 27 5.193 2.751 -15.335 1.00 1.10 H new ATOM 1699 N LEU B 28 7.043 0.212 -11.395 1.00 73.33 N ATOM 1700 CA LEU B 28 7.944 0.022 -10.245 1.00 32.24 C ATOM 1701 C LEU B 28 7.897 -1.431 -9.698 1.00 73.52 C ATOM 1702 O LEU B 28 8.928 -1.992 -9.321 1.00 11.41 O ATOM 1703 CB LEU B 28 7.489 1.042 -9.172 1.00 64.03 C ATOM 1704 CG LEU B 28 8.181 1.017 -7.784 1.00 51.31 C ATOM 1705 CD1 LEU B 28 9.701 1.295 -7.872 1.00 72.52 C ATOM 1706 CD2 LEU B 28 7.464 2.005 -6.833 1.00 33.45 C ATOM 0 H LEU B 28 6.392 0.985 -11.252 1.00 73.33 H new ATOM 0 HA LEU B 28 8.981 0.186 -10.538 1.00 32.24 H new ATOM 0 HB2 LEU B 28 7.619 2.041 -9.589 1.00 64.03 H new ATOM 0 HB3 LEU B 28 6.420 0.900 -9.012 1.00 64.03 H new ATOM 0 HG LEU B 28 8.093 0.010 -7.377 1.00 51.31 H new ATOM 0 HD11 LEU B 28 10.135 1.266 -6.872 1.00 72.52 H new ATOM 0 HD12 LEU B 28 10.174 0.536 -8.495 1.00 72.52 H new ATOM 0 HD13 LEU B 28 9.866 2.279 -8.310 1.00 72.52 H new ATOM 0 HD21 LEU B 28 7.950 1.988 -5.857 1.00 33.45 H new ATOM 0 HD22 LEU B 28 7.517 3.012 -7.247 1.00 33.45 H new ATOM 0 HD23 LEU B 28 6.420 1.712 -6.724 1.00 33.45 H new ATOM 1718 N ALA B 29 6.680 -2.019 -9.688 1.00 13.23 N ATOM 1719 CA ALA B 29 6.438 -3.416 -9.255 1.00 42.13 C ATOM 1720 C ALA B 29 7.229 -4.431 -10.112 1.00 20.22 C ATOM 1721 O ALA B 29 7.877 -5.335 -9.583 1.00 4.34 O ATOM 1722 CB ALA B 29 4.932 -3.729 -9.299 1.00 63.04 C ATOM 0 H ALA B 29 5.831 -1.535 -9.982 1.00 13.23 H new ATOM 0 HA ALA B 29 6.794 -3.513 -8.229 1.00 42.13 H new ATOM 0 HB1 ALA B 29 4.765 -4.758 -8.979 1.00 63.04 H new ATOM 0 HB2 ALA B 29 4.400 -3.051 -8.632 1.00 63.04 H new ATOM 0 HB3 ALA B 29 4.563 -3.601 -10.317 1.00 63.04 H new ATOM 1728 N ARG B 30 7.199 -4.235 -11.440 1.00 74.34 N ATOM 1729 CA ARG B 30 7.940 -5.086 -12.405 1.00 40.51 C ATOM 1730 C ARG B 30 9.467 -4.891 -12.252 1.00 45.11 C ATOM 1731 O ARG B 30 10.241 -5.849 -12.352 1.00 55.54 O ATOM 1732 CB ARG B 30 7.499 -4.745 -13.850 1.00 4.23 C ATOM 1733 CG ARG B 30 5.975 -4.843 -14.076 1.00 72.54 C ATOM 1734 CD ARG B 30 5.532 -4.281 -15.441 1.00 20.42 C ATOM 1735 NE ARG B 30 4.069 -4.114 -15.509 1.00 0.23 N ATOM 1736 CZ ARG B 30 3.427 -3.320 -16.338 1.00 45.54 C ATOM 1737 NH1 ARG B 30 4.053 -2.658 -17.260 1.00 43.41 N ATOM 1738 NH2 ARG B 30 2.148 -3.205 -16.240 1.00 20.12 N ATOM 0 H ARG B 30 6.664 -3.487 -11.881 1.00 74.34 H new ATOM 0 HA ARG B 30 7.709 -6.131 -12.196 1.00 40.51 H new ATOM 0 HB2 ARG B 30 7.828 -3.734 -14.091 1.00 4.23 H new ATOM 0 HB3 ARG B 30 8.004 -5.419 -14.542 1.00 4.23 H new ATOM 0 HG2 ARG B 30 5.669 -5.886 -14.002 1.00 72.54 H new ATOM 0 HG3 ARG B 30 5.460 -4.302 -13.282 1.00 72.54 H new ATOM 0 HD2 ARG B 30 6.017 -3.320 -15.615 1.00 20.42 H new ATOM 0 HD3 ARG B 30 5.860 -4.952 -16.235 1.00 20.42 H new ATOM 0 HE ARG B 30 3.506 -4.661 -14.857 1.00 0.23 H new ATOM 0 HH11 ARG B 30 5.065 -2.747 -17.354 1.00 43.41 H new ATOM 0 HH12 ARG B 30 3.534 -2.048 -17.892 1.00 43.41 H new ATOM 0 HH21 ARG B 30 1.642 -3.727 -15.524 1.00 20.12 H new ATOM 0 HH22 ARG B 30 1.641 -2.592 -16.878 1.00 20.12 H new ATOM 1752 N LYS B 31 9.876 -3.632 -11.989 1.00 35.33 N ATOM 1753 CA LYS B 31 11.295 -3.253 -11.775 1.00 61.45 C ATOM 1754 C LYS B 31 11.897 -3.921 -10.511 1.00 42.11 C ATOM 1755 O LYS B 31 13.101 -4.178 -10.463 1.00 42.04 O ATOM 1756 CB LYS B 31 11.420 -1.703 -11.673 1.00 3.41 C ATOM 1757 CG LYS B 31 11.025 -0.943 -12.963 1.00 52.33 C ATOM 1758 CD LYS B 31 11.008 0.600 -12.780 1.00 51.43 C ATOM 1759 CE LYS B 31 12.379 1.177 -12.372 1.00 33.50 C ATOM 1760 NZ LYS B 31 13.433 0.902 -13.386 1.00 13.15 N ATOM 0 H LYS B 31 9.232 -2.845 -11.918 1.00 35.33 H new ATOM 0 HA LYS B 31 11.863 -3.613 -12.633 1.00 61.45 H new ATOM 0 HB2 LYS B 31 10.792 -1.353 -10.853 1.00 3.41 H new ATOM 0 HB3 LYS B 31 12.449 -1.450 -11.417 1.00 3.41 H new ATOM 0 HG2 LYS B 31 11.724 -1.201 -13.758 1.00 52.33 H new ATOM 0 HG3 LYS B 31 10.038 -1.276 -13.286 1.00 52.33 H new ATOM 0 HD2 LYS B 31 10.687 1.067 -13.711 1.00 51.43 H new ATOM 0 HD3 LYS B 31 10.270 0.862 -12.021 1.00 51.43 H new ATOM 0 HE2 LYS B 31 12.289 2.254 -12.228 1.00 33.50 H new ATOM 0 HE3 LYS B 31 12.679 0.751 -11.415 1.00 33.50 H new ATOM 0 HZ1 LYS B 31 14.323 1.352 -13.092 1.00 13.15 H new ATOM 0 HZ2 LYS B 31 13.575 -0.125 -13.469 1.00 13.15 H new ATOM 0 HZ3 LYS B 31 13.138 1.286 -14.306 1.00 13.15 H new ATOM 1774 N VAL B 32 11.050 -4.188 -9.490 1.00 22.42 N ATOM 1775 CA VAL B 32 11.479 -4.849 -8.225 1.00 14.32 C ATOM 1776 C VAL B 32 11.069 -6.348 -8.160 1.00 2.24 C ATOM 1777 O VAL B 32 11.347 -7.015 -7.154 1.00 74.12 O ATOM 1778 CB VAL B 32 10.928 -4.076 -6.967 1.00 42.02 C ATOM 1779 CG1 VAL B 32 11.465 -2.626 -6.929 1.00 54.20 C ATOM 1780 CG2 VAL B 32 9.382 -4.091 -6.918 1.00 71.11 C ATOM 0 H VAL B 32 10.057 -3.956 -9.514 1.00 22.42 H new ATOM 0 HA VAL B 32 12.568 -4.813 -8.214 1.00 14.32 H new ATOM 0 HB VAL B 32 11.289 -4.598 -6.081 1.00 42.02 H new ATOM 0 HG11 VAL B 32 11.070 -2.115 -6.051 1.00 54.20 H new ATOM 0 HG12 VAL B 32 12.554 -2.642 -6.880 1.00 54.20 H new ATOM 0 HG13 VAL B 32 11.150 -2.098 -7.829 1.00 54.20 H new ATOM 0 HG21 VAL B 32 9.041 -3.548 -6.037 1.00 71.11 H new ATOM 0 HG22 VAL B 32 8.985 -3.614 -7.814 1.00 71.11 H new ATOM 0 HG23 VAL B 32 9.030 -5.121 -6.869 1.00 71.11 H new ATOM 1790 N ASN B 33 10.431 -6.853 -9.246 1.00 23.22 N ATOM 1791 CA ASN B 33 9.973 -8.272 -9.387 1.00 62.41 C ATOM 1792 C ASN B 33 8.871 -8.665 -8.357 1.00 5.22 C ATOM 1793 O ASN B 33 8.728 -9.841 -7.996 1.00 32.12 O ATOM 1794 CB ASN B 33 11.177 -9.268 -9.316 1.00 40.11 C ATOM 1795 CG ASN B 33 12.235 -9.044 -10.403 1.00 63.32 C ATOM 1796 OD1 ASN B 33 11.944 -8.563 -11.494 1.00 25.44 O ATOM 1797 ND2 ASN B 33 13.472 -9.414 -10.119 1.00 12.24 N ATOM 0 H ASN B 33 10.214 -6.283 -10.064 1.00 23.22 H new ATOM 0 HA ASN B 33 9.518 -8.344 -10.375 1.00 62.41 H new ATOM 0 HB2 ASN B 33 11.651 -9.180 -8.338 1.00 40.11 H new ATOM 0 HB3 ASN B 33 10.798 -10.287 -9.396 1.00 40.11 H new ATOM 0 HD21 ASN B 33 14.210 -9.302 -10.814 1.00 12.24 H new ATOM 0 HD22 ASN B 33 13.688 -9.811 -9.205 1.00 12.24 H new ATOM 1804 N LEU B 34 8.082 -7.678 -7.910 1.00 45.41 N ATOM 1805 CA LEU B 34 6.960 -7.885 -6.961 1.00 4.12 C ATOM 1806 C LEU B 34 5.594 -7.607 -7.631 1.00 13.00 C ATOM 1807 O LEU B 34 5.523 -7.046 -8.729 1.00 63.53 O ATOM 1808 CB LEU B 34 7.146 -6.956 -5.729 1.00 43.25 C ATOM 1809 CG LEU B 34 8.478 -7.144 -4.926 1.00 24.11 C ATOM 1810 CD1 LEU B 34 8.643 -6.049 -3.854 1.00 74.12 C ATOM 1811 CD2 LEU B 34 8.566 -8.564 -4.308 1.00 61.51 C ATOM 0 H LEU B 34 8.198 -6.705 -8.194 1.00 45.41 H new ATOM 0 HA LEU B 34 6.968 -8.927 -6.643 1.00 4.12 H new ATOM 0 HB2 LEU B 34 7.091 -5.921 -6.067 1.00 43.25 H new ATOM 0 HB3 LEU B 34 6.309 -7.114 -5.049 1.00 43.25 H new ATOM 0 HG LEU B 34 9.306 -7.041 -5.627 1.00 24.11 H new ATOM 0 HD11 LEU B 34 9.576 -6.207 -3.314 1.00 74.12 H new ATOM 0 HD12 LEU B 34 8.662 -5.070 -4.333 1.00 74.12 H new ATOM 0 HD13 LEU B 34 7.807 -6.095 -3.156 1.00 74.12 H new ATOM 0 HD21 LEU B 34 9.501 -8.664 -3.757 1.00 61.51 H new ATOM 0 HD22 LEU B 34 7.727 -8.718 -3.629 1.00 61.51 H new ATOM 0 HD23 LEU B 34 8.532 -9.309 -5.103 1.00 61.51 H new ATOM 1823 N SER B 35 4.514 -8.033 -6.951 1.00 51.14 N ATOM 1824 CA SER B 35 3.122 -7.682 -7.327 1.00 43.44 C ATOM 1825 C SER B 35 2.825 -6.187 -7.077 1.00 63.31 C ATOM 1826 O SER B 35 3.468 -5.557 -6.233 1.00 50.45 O ATOM 1827 CB SER B 35 2.122 -8.551 -6.520 1.00 24.33 C ATOM 1828 OG SER B 35 0.770 -8.175 -6.760 1.00 5.20 O ATOM 0 H SER B 35 4.576 -8.630 -6.126 1.00 51.14 H new ATOM 0 HA SER B 35 3.007 -7.877 -8.393 1.00 43.44 H new ATOM 0 HB2 SER B 35 2.258 -9.600 -6.784 1.00 24.33 H new ATOM 0 HB3 SER B 35 2.340 -8.460 -5.456 1.00 24.33 H new ATOM 0 HG SER B 35 0.173 -8.748 -6.234 1.00 5.20 H new ATOM 1834 N VAL B 36 1.834 -5.645 -7.812 1.00 51.05 N ATOM 1835 CA VAL B 36 1.322 -4.264 -7.611 1.00 64.14 C ATOM 1836 C VAL B 36 0.843 -4.055 -6.151 1.00 13.43 C ATOM 1837 O VAL B 36 1.125 -3.026 -5.534 1.00 72.42 O ATOM 1838 CB VAL B 36 0.141 -3.955 -8.608 1.00 21.44 C ATOM 1839 CG1 VAL B 36 -0.430 -2.521 -8.420 1.00 41.44 C ATOM 1840 CG2 VAL B 36 0.578 -4.199 -10.073 1.00 22.34 C ATOM 0 H VAL B 36 1.362 -6.148 -8.563 1.00 51.05 H new ATOM 0 HA VAL B 36 2.143 -3.576 -7.811 1.00 64.14 H new ATOM 0 HB VAL B 36 -0.668 -4.647 -8.373 1.00 21.44 H new ATOM 0 HG11 VAL B 36 -1.241 -2.356 -9.129 1.00 41.44 H new ATOM 0 HG12 VAL B 36 -0.809 -2.411 -7.404 1.00 41.44 H new ATOM 0 HG13 VAL B 36 0.359 -1.789 -8.595 1.00 41.44 H new ATOM 0 HG21 VAL B 36 -0.254 -3.979 -10.742 1.00 22.34 H new ATOM 0 HG22 VAL B 36 1.420 -3.550 -10.315 1.00 22.34 H new ATOM 0 HG23 VAL B 36 0.876 -5.240 -10.195 1.00 22.34 H new ATOM 1850 N GLU B 37 0.136 -5.073 -5.621 1.00 34.01 N ATOM 1851 CA GLU B 37 -0.330 -5.116 -4.208 1.00 22.21 C ATOM 1852 C GLU B 37 0.860 -5.050 -3.216 1.00 21.35 C ATOM 1853 O GLU B 37 0.854 -4.256 -2.269 1.00 64.31 O ATOM 1854 CB GLU B 37 -1.150 -6.414 -3.963 1.00 65.42 C ATOM 1855 CG GLU B 37 -2.325 -6.621 -4.937 1.00 11.14 C ATOM 1856 CD GLU B 37 -3.114 -7.919 -4.658 1.00 2.32 C ATOM 1857 OE1 GLU B 37 -2.585 -9.019 -4.954 1.00 50.13 O ATOM 1858 OE2 GLU B 37 -4.245 -7.850 -4.124 1.00 2.11 O ATOM 0 H GLU B 37 -0.133 -5.897 -6.159 1.00 34.01 H new ATOM 0 HA GLU B 37 -0.961 -4.245 -4.035 1.00 22.21 H new ATOM 0 HB2 GLU B 37 -0.480 -7.271 -4.035 1.00 65.42 H new ATOM 0 HB3 GLU B 37 -1.538 -6.397 -2.944 1.00 65.42 H new ATOM 0 HG2 GLU B 37 -3.001 -5.769 -4.869 1.00 11.14 H new ATOM 0 HG3 GLU B 37 -1.944 -6.645 -5.958 1.00 11.14 H new ATOM 1865 N SER B 38 1.888 -5.878 -3.487 1.00 72.43 N ATOM 1866 CA SER B 38 3.114 -5.990 -2.648 1.00 1.25 C ATOM 1867 C SER B 38 3.923 -4.670 -2.620 1.00 22.03 C ATOM 1868 O SER B 38 4.477 -4.287 -1.584 1.00 42.42 O ATOM 1869 CB SER B 38 4.007 -7.142 -3.177 1.00 62.32 C ATOM 1870 OG SER B 38 5.181 -7.315 -2.396 1.00 64.12 O ATOM 0 H SER B 38 1.898 -6.496 -4.299 1.00 72.43 H new ATOM 0 HA SER B 38 2.797 -6.203 -1.627 1.00 1.25 H new ATOM 0 HB2 SER B 38 3.435 -8.070 -3.180 1.00 62.32 H new ATOM 0 HB3 SER B 38 4.287 -6.937 -4.210 1.00 62.32 H new ATOM 0 HG SER B 38 5.713 -8.051 -2.764 1.00 64.12 H new ATOM 1876 N THR B 39 3.972 -3.991 -3.777 1.00 63.55 N ATOM 1877 CA THR B 39 4.719 -2.723 -3.960 1.00 0.34 C ATOM 1878 C THR B 39 3.989 -1.523 -3.304 1.00 52.44 C ATOM 1879 O THR B 39 4.601 -0.772 -2.549 1.00 21.23 O ATOM 1880 CB THR B 39 4.959 -2.455 -5.483 1.00 73.44 C ATOM 1881 OG1 THR B 39 5.759 -3.520 -6.024 1.00 74.54 O ATOM 1882 CG2 THR B 39 5.648 -1.106 -5.773 1.00 25.45 C ATOM 0 H THR B 39 3.493 -4.303 -4.622 1.00 63.55 H new ATOM 0 HA THR B 39 5.682 -2.829 -3.460 1.00 0.34 H new ATOM 0 HB THR B 39 3.978 -2.412 -5.955 1.00 73.44 H new ATOM 0 HG1 THR B 39 5.196 -4.308 -6.173 1.00 74.54 H new ATOM 0 HG21 THR B 39 5.781 -0.989 -6.848 1.00 25.45 H new ATOM 0 HG22 THR B 39 5.029 -0.293 -5.394 1.00 25.45 H new ATOM 0 HG23 THR B 39 6.621 -1.081 -5.282 1.00 25.45 H new ATOM 1890 N ALA B 40 2.678 -1.372 -3.587 1.00 63.12 N ATOM 1891 CA ALA B 40 1.833 -0.265 -3.040 1.00 14.12 C ATOM 1892 C ALA B 40 1.771 -0.284 -1.489 1.00 13.05 C ATOM 1893 O ALA B 40 1.803 0.765 -0.835 1.00 24.44 O ATOM 1894 CB ALA B 40 0.420 -0.356 -3.637 1.00 4.05 C ATOM 0 H ALA B 40 2.167 -2.008 -4.199 1.00 63.12 H new ATOM 0 HA ALA B 40 2.293 0.681 -3.326 1.00 14.12 H new ATOM 0 HB1 ALA B 40 -0.196 0.450 -3.239 1.00 4.05 H new ATOM 0 HB2 ALA B 40 0.477 -0.267 -4.722 1.00 4.05 H new ATOM 0 HB3 ALA B 40 -0.025 -1.316 -3.374 1.00 4.05 H new ATOM 1900 N LEU B 41 1.682 -1.501 -0.932 1.00 50.40 N ATOM 1901 CA LEU B 41 1.745 -1.756 0.528 1.00 63.32 C ATOM 1902 C LEU B 41 3.124 -1.310 1.088 1.00 72.50 C ATOM 1903 O LEU B 41 3.207 -0.597 2.098 1.00 1.10 O ATOM 1904 CB LEU B 41 1.524 -3.280 0.773 1.00 10.34 C ATOM 1905 CG LEU B 41 0.893 -3.753 2.127 1.00 52.12 C ATOM 1906 CD1 LEU B 41 0.894 -5.290 2.175 1.00 74.03 C ATOM 1907 CD2 LEU B 41 1.578 -3.160 3.384 1.00 70.43 C ATOM 0 H LEU B 41 1.563 -2.351 -1.483 1.00 50.40 H new ATOM 0 HA LEU B 41 0.971 -1.186 1.042 1.00 63.32 H new ATOM 0 HB2 LEU B 41 0.891 -3.653 -0.032 1.00 10.34 H new ATOM 0 HB3 LEU B 41 2.491 -3.772 0.672 1.00 10.34 H new ATOM 0 HG LEU B 41 -0.128 -3.373 2.153 1.00 52.12 H new ATOM 0 HD11 LEU B 41 0.456 -5.625 3.115 1.00 74.03 H new ATOM 0 HD12 LEU B 41 0.309 -5.680 1.343 1.00 74.03 H new ATOM 0 HD13 LEU B 41 1.918 -5.656 2.101 1.00 74.03 H new ATOM 0 HD21 LEU B 41 1.083 -3.536 4.280 1.00 70.43 H new ATOM 0 HD22 LEU B 41 2.628 -3.454 3.399 1.00 70.43 H new ATOM 0 HD23 LEU B 41 1.506 -2.073 3.359 1.00 70.43 H new ATOM 1919 N ALA B 42 4.190 -1.753 0.394 1.00 62.22 N ATOM 1920 CA ALA B 42 5.592 -1.438 0.749 1.00 64.02 C ATOM 1921 C ALA B 42 5.868 0.086 0.738 1.00 62.24 C ATOM 1922 O ALA B 42 6.702 0.577 1.499 1.00 31.13 O ATOM 1923 CB ALA B 42 6.539 -2.165 -0.214 1.00 53.41 C ATOM 0 H ALA B 42 4.105 -2.343 -0.434 1.00 62.22 H new ATOM 0 HA ALA B 42 5.769 -1.784 1.767 1.00 64.02 H new ATOM 0 HB1 ALA B 42 7.572 -1.933 0.047 1.00 53.41 H new ATOM 0 HB2 ALA B 42 6.378 -3.241 -0.139 1.00 53.41 H new ATOM 0 HB3 ALA B 42 6.341 -1.838 -1.235 1.00 53.41 H new ATOM 1929 N VAL B 43 5.136 0.819 -0.122 1.00 65.33 N ATOM 1930 CA VAL B 43 5.217 2.305 -0.197 1.00 73.34 C ATOM 1931 C VAL B 43 4.619 2.956 1.085 1.00 21.11 C ATOM 1932 O VAL B 43 5.142 3.959 1.592 1.00 13.43 O ATOM 1933 CB VAL B 43 4.501 2.856 -1.495 1.00 35.15 C ATOM 1934 CG1 VAL B 43 4.441 4.404 -1.515 1.00 45.32 C ATOM 1935 CG2 VAL B 43 5.193 2.330 -2.780 1.00 33.21 C ATOM 0 H VAL B 43 4.475 0.410 -0.782 1.00 65.33 H new ATOM 0 HA VAL B 43 6.270 2.578 -0.259 1.00 73.34 H new ATOM 0 HB VAL B 43 3.476 2.485 -1.471 1.00 35.15 H new ATOM 0 HG11 VAL B 43 3.941 4.737 -2.425 1.00 45.32 H new ATOM 0 HG12 VAL B 43 3.887 4.758 -0.646 1.00 45.32 H new ATOM 0 HG13 VAL B 43 5.453 4.808 -1.489 1.00 45.32 H new ATOM 0 HG21 VAL B 43 4.680 2.725 -3.657 1.00 33.21 H new ATOM 0 HG22 VAL B 43 6.234 2.654 -2.792 1.00 33.21 H new ATOM 0 HG23 VAL B 43 5.152 1.241 -2.795 1.00 33.21 H new ATOM 1945 N GLY B 44 3.537 2.354 1.614 1.00 15.13 N ATOM 1946 CA GLY B 44 2.969 2.767 2.909 1.00 24.04 C ATOM 1947 C GLY B 44 3.885 2.427 4.097 1.00 1.44 C ATOM 1948 O GLY B 44 3.885 3.128 5.119 1.00 32.30 O ATOM 0 H GLY B 44 3.041 1.583 1.166 1.00 15.13 H new ATOM 0 HA2 GLY B 44 2.785 3.841 2.894 1.00 24.04 H new ATOM 0 HA3 GLY B 44 2.004 2.280 3.049 1.00 24.04 H new ATOM 1952 N TRP B 45 4.666 1.340 3.956 1.00 32.50 N ATOM 1953 CA TRP B 45 5.698 0.945 4.945 1.00 30.12 C ATOM 1954 C TRP B 45 6.938 1.890 4.867 1.00 12.01 C ATOM 1955 O TRP B 45 7.749 1.941 5.786 1.00 12.12 O ATOM 1956 CB TRP B 45 6.099 -0.543 4.717 1.00 43.04 C ATOM 1957 CG TRP B 45 7.020 -1.125 5.780 1.00 30.25 C ATOM 1958 CD1 TRP B 45 8.345 -1.439 5.654 1.00 62.34 C ATOM 1959 CD2 TRP B 45 6.677 -1.438 7.140 1.00 11.54 C ATOM 1960 NE1 TRP B 45 8.831 -1.946 6.827 1.00 70.35 N ATOM 1961 CE2 TRP B 45 7.831 -1.952 7.755 1.00 11.42 C ATOM 1962 CE3 TRP B 45 5.506 -1.340 7.890 1.00 62.25 C ATOM 1963 CZ2 TRP B 45 7.850 -2.364 9.085 1.00 21.52 C ATOM 1964 CZ3 TRP B 45 5.527 -1.747 9.210 1.00 14.32 C ATOM 1965 CH2 TRP B 45 6.691 -2.252 9.797 1.00 21.25 C ATOM 0 H TRP B 45 4.603 0.709 3.157 1.00 32.50 H new ATOM 0 HA TRP B 45 5.284 1.042 5.949 1.00 30.12 H new ATOM 0 HB2 TRP B 45 5.192 -1.146 4.672 1.00 43.04 H new ATOM 0 HB3 TRP B 45 6.588 -0.629 3.746 1.00 43.04 H new ATOM 0 HD1 TRP B 45 8.926 -1.305 4.754 1.00 62.34 H new ATOM 0 HE1 TRP B 45 9.786 -2.268 6.983 1.00 70.35 H new ATOM 0 HE3 TRP B 45 4.600 -0.953 7.448 1.00 62.25 H new ATOM 0 HZ2 TRP B 45 8.749 -2.758 9.536 1.00 21.52 H new ATOM 0 HZ3 TRP B 45 4.626 -1.674 9.801 1.00 14.32 H new ATOM 0 HH2 TRP B 45 6.673 -2.559 10.832 1.00 21.25 H new ATOM 1976 N LEU B 46 7.113 2.578 3.728 1.00 41.45 N ATOM 1977 CA LEU B 46 8.067 3.714 3.588 1.00 4.44 C ATOM 1978 C LEU B 46 7.526 5.022 4.234 1.00 5.53 C ATOM 1979 O LEU B 46 8.306 5.844 4.741 1.00 4.42 O ATOM 1980 CB LEU B 46 8.398 3.931 2.089 1.00 22.14 C ATOM 1981 CG LEU B 46 9.126 2.740 1.398 1.00 52.14 C ATOM 1982 CD1 LEU B 46 9.232 2.933 -0.131 1.00 25.22 C ATOM 1983 CD2 LEU B 46 10.510 2.503 2.046 1.00 31.20 C ATOM 0 H LEU B 46 6.601 2.370 2.871 1.00 41.45 H new ATOM 0 HA LEU B 46 8.979 3.457 4.127 1.00 4.44 H new ATOM 0 HB2 LEU B 46 7.470 4.131 1.553 1.00 22.14 H new ATOM 0 HB3 LEU B 46 9.019 4.822 1.995 1.00 22.14 H new ATOM 0 HG LEU B 46 8.523 1.845 1.552 1.00 52.14 H new ATOM 0 HD11 LEU B 46 9.747 2.079 -0.571 1.00 25.22 H new ATOM 0 HD12 LEU B 46 8.232 3.013 -0.558 1.00 25.22 H new ATOM 0 HD13 LEU B 46 9.792 3.843 -0.345 1.00 25.22 H new ATOM 0 HD21 LEU B 46 11.005 1.667 1.551 1.00 31.20 H new ATOM 0 HD22 LEU B 46 11.120 3.400 1.940 1.00 31.20 H new ATOM 0 HD23 LEU B 46 10.382 2.274 3.104 1.00 31.20 H new ATOM 1995 N ALA B 47 6.184 5.212 4.170 1.00 60.10 N ATOM 1996 CA ALA B 47 5.468 6.400 4.733 1.00 43.32 C ATOM 1997 C ALA B 47 5.694 6.613 6.260 1.00 71.13 C ATOM 1998 O ALA B 47 5.564 7.746 6.750 1.00 61.54 O ATOM 1999 CB ALA B 47 3.962 6.321 4.419 1.00 30.44 C ATOM 0 H ALA B 47 5.557 4.543 3.724 1.00 60.10 H new ATOM 0 HA ALA B 47 5.903 7.270 4.242 1.00 43.32 H new ATOM 0 HB1 ALA B 47 3.457 7.193 4.836 1.00 30.44 H new ATOM 0 HB2 ALA B 47 3.816 6.299 3.339 1.00 30.44 H new ATOM 0 HB3 ALA B 47 3.545 5.415 4.860 1.00 30.44 H new ATOM 2005 N ARG B 48 6.011 5.527 7.005 1.00 33.21 N ATOM 2006 CA ARG B 48 6.378 5.622 8.451 1.00 61.02 C ATOM 2007 C ARG B 48 7.657 6.472 8.668 1.00 64.34 C ATOM 2008 O ARG B 48 7.769 7.215 9.648 1.00 31.10 O ATOM 2009 CB ARG B 48 6.546 4.214 9.092 1.00 52.31 C ATOM 2010 CG ARG B 48 7.666 3.352 8.493 1.00 52.01 C ATOM 2011 CD ARG B 48 7.759 1.947 9.120 1.00 40.32 C ATOM 2012 NE ARG B 48 8.771 1.118 8.438 1.00 70.31 N ATOM 2013 CZ ARG B 48 9.946 0.777 8.917 1.00 54.04 C ATOM 2014 NH1 ARG B 48 10.364 1.213 10.067 1.00 51.32 N ATOM 2015 NH2 ARG B 48 10.716 0.010 8.219 1.00 25.04 N ATOM 0 H ARG B 48 6.022 4.576 6.637 1.00 33.21 H new ATOM 0 HA ARG B 48 5.552 6.127 8.951 1.00 61.02 H new ATOM 0 HB2 ARG B 48 6.736 4.338 10.158 1.00 52.31 H new ATOM 0 HB3 ARG B 48 5.604 3.674 8.997 1.00 52.31 H new ATOM 0 HG2 ARG B 48 7.503 3.253 7.420 1.00 52.01 H new ATOM 0 HG3 ARG B 48 8.619 3.864 8.625 1.00 52.01 H new ATOM 0 HD2 ARG B 48 8.011 2.035 10.177 1.00 40.32 H new ATOM 0 HD3 ARG B 48 6.787 1.457 9.064 1.00 40.32 H new ATOM 0 HE ARG B 48 8.536 0.777 7.506 1.00 70.31 H new ATOM 0 HH11 ARG B 48 9.776 1.835 10.621 1.00 51.32 H new ATOM 0 HH12 ARG B 48 11.281 0.933 10.416 1.00 51.32 H new ATOM 0 HH21 ARG B 48 10.410 -0.325 7.305 1.00 25.04 H new ATOM 0 HH22 ARG B 48 11.630 -0.261 8.581 1.00 25.04 H new ATOM 2029 N GLU B 49 8.606 6.350 7.727 1.00 64.25 N ATOM 2030 CA GLU B 49 9.878 7.108 7.720 1.00 62.13 C ATOM 2031 C GLU B 49 9.781 8.367 6.815 1.00 42.21 C ATOM 2032 O GLU B 49 10.737 9.146 6.721 1.00 14.30 O ATOM 2033 CB GLU B 49 11.009 6.165 7.242 1.00 42.40 C ATOM 2034 CG GLU B 49 11.192 4.900 8.109 1.00 41.35 C ATOM 2035 CD GLU B 49 12.214 3.914 7.523 1.00 33.30 C ATOM 2036 OE1 GLU B 49 13.417 4.240 7.498 1.00 43.23 O ATOM 2037 OE2 GLU B 49 11.817 2.830 7.038 1.00 1.52 O ATOM 0 H GLU B 49 8.515 5.714 6.935 1.00 64.25 H new ATOM 0 HA GLU B 49 10.095 7.461 8.728 1.00 62.13 H new ATOM 0 HB2 GLU B 49 10.803 5.861 6.216 1.00 42.40 H new ATOM 0 HB3 GLU B 49 11.947 6.720 7.228 1.00 42.40 H new ATOM 0 HG2 GLU B 49 11.511 5.194 9.109 1.00 41.35 H new ATOM 0 HG3 GLU B 49 10.231 4.398 8.216 1.00 41.35 H new ATOM 2044 N ASN B 50 8.601 8.527 6.154 1.00 14.22 N ATOM 2045 CA ASN B 50 8.245 9.693 5.285 1.00 61.34 C ATOM 2046 C ASN B 50 9.154 9.819 4.035 1.00 70.13 C ATOM 2047 O ASN B 50 9.167 10.861 3.379 1.00 54.22 O ATOM 2048 CB ASN B 50 8.255 11.009 6.115 1.00 0.43 C ATOM 2049 CG ASN B 50 7.188 11.024 7.207 1.00 4.43 C ATOM 2050 OD1 ASN B 50 6.121 11.594 7.038 1.00 40.43 O ATOM 2051 ND2 ASN B 50 7.449 10.360 8.317 1.00 11.02 N ATOM 0 H ASN B 50 7.853 7.836 6.209 1.00 14.22 H new ATOM 0 HA ASN B 50 7.237 9.513 4.911 1.00 61.34 H new ATOM 0 HB2 ASN B 50 9.237 11.139 6.570 1.00 0.43 H new ATOM 0 HB3 ASN B 50 8.098 11.856 5.447 1.00 0.43 H new ATOM 0 HD21 ASN B 50 6.751 10.314 9.060 1.00 11.02 H new ATOM 0 HD22 ASN B 50 8.348 9.893 8.432 1.00 11.02 H new ATOM 2058 N LYS B 51 9.814 8.708 3.654 1.00 55.42 N ATOM 2059 CA LYS B 51 10.837 8.694 2.574 1.00 52.41 C ATOM 2060 C LYS B 51 10.228 8.773 1.147 1.00 44.33 C ATOM 2061 O LYS B 51 10.961 8.927 0.162 1.00 24.22 O ATOM 2062 CB LYS B 51 11.723 7.432 2.716 1.00 22.03 C ATOM 2063 CG LYS B 51 12.519 7.368 4.037 1.00 34.53 C ATOM 2064 CD LYS B 51 13.423 6.116 4.155 1.00 72.20 C ATOM 2065 CE LYS B 51 12.638 4.793 4.052 1.00 2.24 C ATOM 2066 NZ LYS B 51 13.466 3.619 4.425 1.00 74.23 N ATOM 0 H LYS B 51 9.658 7.795 4.081 1.00 55.42 H new ATOM 0 HA LYS B 51 11.442 9.593 2.694 1.00 52.41 H new ATOM 0 HB2 LYS B 51 11.091 6.547 2.641 1.00 22.03 H new ATOM 0 HB3 LYS B 51 12.422 7.396 1.881 1.00 22.03 H new ATOM 0 HG2 LYS B 51 13.137 8.262 4.123 1.00 34.53 H new ATOM 0 HG3 LYS B 51 11.820 7.382 4.874 1.00 34.53 H new ATOM 0 HD2 LYS B 51 14.179 6.145 3.370 1.00 72.20 H new ATOM 0 HD3 LYS B 51 13.952 6.145 5.108 1.00 72.20 H new ATOM 0 HE2 LYS B 51 11.764 4.840 4.701 1.00 2.24 H new ATOM 0 HE3 LYS B 51 12.272 4.668 3.033 1.00 2.24 H new ATOM 0 HZ1 LYS B 51 12.902 2.751 4.325 1.00 74.23 H new ATOM 0 HZ2 LYS B 51 14.296 3.567 3.801 1.00 74.23 H new ATOM 0 HZ3 LYS B 51 13.780 3.715 5.412 1.00 74.23 H new ATOM 2080 N VAL B 52 8.891 8.672 1.049 1.00 33.12 N ATOM 2081 CA VAL B 52 8.143 8.798 -0.225 1.00 71.41 C ATOM 2082 C VAL B 52 6.997 9.825 -0.086 1.00 64.02 C ATOM 2083 O VAL B 52 6.454 10.028 1.008 1.00 12.55 O ATOM 2084 CB VAL B 52 7.549 7.414 -0.702 1.00 62.14 C ATOM 2085 CG1 VAL B 52 8.671 6.443 -1.152 1.00 3.32 C ATOM 2086 CG2 VAL B 52 6.659 6.775 0.403 1.00 25.02 C ATOM 0 H VAL B 52 8.290 8.499 1.855 1.00 33.12 H new ATOM 0 HA VAL B 52 8.854 9.142 -0.976 1.00 71.41 H new ATOM 0 HB VAL B 52 6.916 7.607 -1.568 1.00 62.14 H new ATOM 0 HG11 VAL B 52 8.229 5.500 -1.474 1.00 3.32 H new ATOM 0 HG12 VAL B 52 9.225 6.886 -1.980 1.00 3.32 H new ATOM 0 HG13 VAL B 52 9.349 6.260 -0.319 1.00 3.32 H new ATOM 0 HG21 VAL B 52 6.264 5.824 0.047 1.00 25.02 H new ATOM 0 HG22 VAL B 52 7.256 6.607 1.299 1.00 25.02 H new ATOM 0 HG23 VAL B 52 5.833 7.446 0.638 1.00 25.02 H new ATOM 2096 N VAL B 53 6.641 10.465 -1.211 1.00 62.43 N ATOM 2097 CA VAL B 53 5.491 11.391 -1.312 1.00 23.23 C ATOM 2098 C VAL B 53 4.529 10.918 -2.436 1.00 13.42 C ATOM 2099 O VAL B 53 4.933 10.715 -3.589 1.00 12.01 O ATOM 2100 CB VAL B 53 5.946 12.889 -1.544 1.00 41.53 C ATOM 2101 CG1 VAL B 53 6.552 13.508 -0.255 1.00 21.33 C ATOM 2102 CG2 VAL B 53 6.946 12.980 -2.707 1.00 53.10 C ATOM 0 H VAL B 53 7.147 10.356 -2.090 1.00 62.43 H new ATOM 0 HA VAL B 53 4.962 11.372 -0.359 1.00 23.23 H new ATOM 0 HB VAL B 53 5.058 13.465 -1.803 1.00 41.53 H new ATOM 0 HG11 VAL B 53 6.853 14.537 -0.452 1.00 21.33 H new ATOM 0 HG12 VAL B 53 5.807 13.494 0.540 1.00 21.33 H new ATOM 0 HG13 VAL B 53 7.422 12.928 0.053 1.00 21.33 H new ATOM 0 HG21 VAL B 53 7.245 14.018 -2.849 1.00 53.10 H new ATOM 0 HG22 VAL B 53 7.825 12.377 -2.479 1.00 53.10 H new ATOM 0 HG23 VAL B 53 6.478 12.609 -3.619 1.00 53.10 H new ATOM 2112 N ILE B 54 3.260 10.705 -2.055 1.00 72.24 N ATOM 2113 CA ILE B 54 2.204 10.177 -2.942 1.00 62.45 C ATOM 2114 C ILE B 54 1.465 11.350 -3.624 1.00 4.10 C ATOM 2115 O ILE B 54 0.895 12.210 -2.944 1.00 1.44 O ATOM 2116 CB ILE B 54 1.198 9.253 -2.124 1.00 22.50 C ATOM 2117 CG1 ILE B 54 1.845 7.857 -1.788 1.00 43.21 C ATOM 2118 CG2 ILE B 54 -0.168 9.065 -2.847 1.00 42.45 C ATOM 2119 CD1 ILE B 54 3.027 7.881 -0.822 1.00 40.23 C ATOM 0 H ILE B 54 2.931 10.897 -1.109 1.00 72.24 H new ATOM 0 HA ILE B 54 2.659 9.560 -3.717 1.00 62.45 H new ATOM 0 HB ILE B 54 0.996 9.775 -1.189 1.00 22.50 H new ATOM 0 HG12 ILE B 54 1.072 7.212 -1.369 1.00 43.21 H new ATOM 0 HG13 ILE B 54 2.173 7.397 -2.720 1.00 43.21 H new ATOM 0 HG21 ILE B 54 -0.814 8.427 -2.244 1.00 42.45 H new ATOM 0 HG22 ILE B 54 -0.644 10.036 -2.984 1.00 42.45 H new ATOM 0 HG23 ILE B 54 -0.004 8.601 -3.819 1.00 42.45 H new ATOM 0 HD11 ILE B 54 3.390 6.865 -0.666 1.00 40.23 H new ATOM 0 HD12 ILE B 54 3.827 8.491 -1.241 1.00 40.23 H new ATOM 0 HD13 ILE B 54 2.709 8.304 0.131 1.00 40.23 H new ATOM 2131 N GLU B 55 1.503 11.392 -4.971 1.00 4.22 N ATOM 2132 CA GLU B 55 0.850 12.455 -5.772 1.00 33.22 C ATOM 2133 C GLU B 55 -0.260 11.843 -6.670 1.00 34.14 C ATOM 2134 O GLU B 55 -0.050 10.801 -7.285 1.00 75.01 O ATOM 2135 CB GLU B 55 1.904 13.178 -6.663 1.00 33.53 C ATOM 2136 CG GLU B 55 3.212 13.623 -5.958 1.00 74.15 C ATOM 2137 CD GLU B 55 3.012 14.531 -4.732 1.00 61.41 C ATOM 2138 OE1 GLU B 55 2.300 15.556 -4.836 1.00 12.42 O ATOM 2139 OE2 GLU B 55 3.567 14.230 -3.652 1.00 32.32 O ATOM 0 H GLU B 55 1.985 10.693 -5.536 1.00 4.22 H new ATOM 0 HA GLU B 55 0.401 13.178 -5.091 1.00 33.22 H new ATOM 0 HB2 GLU B 55 2.168 12.515 -7.487 1.00 33.53 H new ATOM 0 HB3 GLU B 55 1.435 14.059 -7.101 1.00 33.53 H new ATOM 0 HG2 GLU B 55 3.760 12.734 -5.647 1.00 74.15 H new ATOM 0 HG3 GLU B 55 3.837 14.147 -6.681 1.00 74.15 H new ATOM 2146 N ARG B 56 -1.437 12.501 -6.746 1.00 62.14 N ATOM 2147 CA ARG B 56 -2.551 12.062 -7.627 1.00 63.35 C ATOM 2148 C ARG B 56 -2.573 12.867 -8.949 1.00 51.33 C ATOM 2149 O ARG B 56 -2.900 14.062 -8.959 1.00 33.12 O ATOM 2150 CB ARG B 56 -3.922 12.190 -6.907 1.00 50.44 C ATOM 2151 CG ARG B 56 -4.149 11.186 -5.756 1.00 54.23 C ATOM 2152 CD ARG B 56 -5.530 11.366 -5.091 1.00 71.13 C ATOM 2153 NE ARG B 56 -5.850 10.279 -4.138 1.00 34.51 N ATOM 2154 CZ ARG B 56 -6.656 10.393 -3.100 1.00 4.20 C ATOM 2155 NH1 ARG B 56 -7.099 11.555 -2.722 1.00 31.34 N ATOM 2156 NH2 ARG B 56 -6.970 9.341 -2.414 1.00 34.05 N ATOM 0 H ARG B 56 -1.645 13.342 -6.207 1.00 62.14 H new ATOM 0 HA ARG B 56 -2.379 11.012 -7.863 1.00 63.35 H new ATOM 0 HB2 ARG B 56 -4.015 13.201 -6.511 1.00 50.44 H new ATOM 0 HB3 ARG B 56 -4.716 12.062 -7.643 1.00 50.44 H new ATOM 0 HG2 ARG B 56 -4.062 10.170 -6.140 1.00 54.23 H new ATOM 0 HG3 ARG B 56 -3.367 11.312 -5.007 1.00 54.23 H new ATOM 0 HD2 ARG B 56 -5.555 12.322 -4.568 1.00 71.13 H new ATOM 0 HD3 ARG B 56 -6.298 11.405 -5.863 1.00 71.13 H new ATOM 0 HE ARG B 56 -5.413 9.371 -4.296 1.00 34.51 H new ATOM 0 HH11 ARG B 56 -6.824 12.396 -3.230 1.00 31.34 H new ATOM 0 HH12 ARG B 56 -7.722 11.626 -1.917 1.00 31.34 H new ATOM 0 HH21 ARG B 56 -6.595 8.430 -2.677 1.00 34.05 H new ATOM 0 HH22 ARG B 56 -7.593 9.423 -1.610 1.00 34.05 H new ATOM 2170 N LYS B 57 -2.198 12.200 -10.055 1.00 70.41 N ATOM 2171 CA LYS B 57 -2.304 12.748 -11.426 1.00 60.01 C ATOM 2172 C LYS B 57 -3.496 12.082 -12.157 1.00 30.23 C ATOM 2173 O LYS B 57 -3.443 10.891 -12.489 1.00 22.31 O ATOM 2174 CB LYS B 57 -0.982 12.523 -12.231 1.00 72.12 C ATOM 2175 CG LYS B 57 0.180 13.481 -11.875 1.00 25.22 C ATOM 2176 CD LYS B 57 0.774 13.255 -10.464 1.00 31.21 C ATOM 2177 CE LYS B 57 1.913 14.235 -10.149 1.00 22.20 C ATOM 2178 NZ LYS B 57 3.009 14.168 -11.150 1.00 3.24 N ATOM 0 H LYS B 57 -1.809 11.257 -10.026 1.00 70.41 H new ATOM 0 HA LYS B 57 -2.472 13.823 -11.357 1.00 60.01 H new ATOM 0 HB2 LYS B 57 -0.648 11.498 -12.070 1.00 72.12 H new ATOM 0 HB3 LYS B 57 -1.202 12.624 -13.294 1.00 72.12 H new ATOM 0 HG2 LYS B 57 0.972 13.364 -12.614 1.00 25.22 H new ATOM 0 HG3 LYS B 57 -0.175 14.509 -11.948 1.00 25.22 H new ATOM 0 HD2 LYS B 57 -0.014 13.365 -9.719 1.00 31.21 H new ATOM 0 HD3 LYS B 57 1.145 12.233 -10.388 1.00 31.21 H new ATOM 0 HE2 LYS B 57 1.517 15.250 -10.115 1.00 22.20 H new ATOM 0 HE3 LYS B 57 2.314 14.016 -9.159 1.00 22.20 H new ATOM 0 HZ1 LYS B 57 3.913 14.002 -10.664 1.00 3.24 H new ATOM 0 HZ2 LYS B 57 2.825 13.389 -11.814 1.00 3.24 H new ATOM 0 HZ3 LYS B 57 3.057 15.066 -11.673 1.00 3.24 H new ATOM 2192 N ASN B 58 -4.568 12.878 -12.378 1.00 53.13 N ATOM 2193 CA ASN B 58 -5.831 12.449 -13.050 1.00 4.02 C ATOM 2194 C ASN B 58 -6.550 11.304 -12.278 1.00 54.14 C ATOM 2195 O ASN B 58 -7.281 10.504 -12.874 1.00 11.41 O ATOM 2196 CB ASN B 58 -5.562 12.027 -14.529 1.00 4.55 C ATOM 2197 CG ASN B 58 -4.929 13.140 -15.363 1.00 31.30 C ATOM 2198 OD1 ASN B 58 -5.621 13.948 -15.978 1.00 74.21 O ATOM 2199 ND2 ASN B 58 -3.610 13.194 -15.395 1.00 42.13 N ATOM 0 H ASN B 58 -4.586 13.857 -12.091 1.00 53.13 H new ATOM 0 HA ASN B 58 -6.498 13.311 -13.048 1.00 4.02 H new ATOM 0 HB2 ASN B 58 -4.907 11.156 -14.539 1.00 4.55 H new ATOM 0 HB3 ASN B 58 -6.502 11.724 -14.991 1.00 4.55 H new ATOM 0 HD21 ASN B 58 -3.142 13.919 -15.939 1.00 42.13 H new ATOM 0 HD22 ASN B 58 -3.059 12.511 -14.875 1.00 42.13 H new ATOM 2206 N GLY B 59 -6.388 11.278 -10.939 1.00 22.13 N ATOM 2207 CA GLY B 59 -6.956 10.210 -10.094 1.00 31.20 C ATOM 2208 C GLY B 59 -5.990 9.043 -9.837 1.00 34.23 C ATOM 2209 O GLY B 59 -6.188 8.269 -8.901 1.00 43.22 O ATOM 0 H GLY B 59 -5.868 11.986 -10.420 1.00 22.13 H new ATOM 0 HA2 GLY B 59 -7.257 10.638 -9.138 1.00 31.20 H new ATOM 0 HA3 GLY B 59 -7.858 9.825 -10.569 1.00 31.20 H new ATOM 2213 N LEU B 60 -4.940 8.920 -10.672 1.00 63.35 N ATOM 2214 CA LEU B 60 -3.933 7.826 -10.586 1.00 71.54 C ATOM 2215 C LEU B 60 -2.767 8.239 -9.660 1.00 32.11 C ATOM 2216 O LEU B 60 -2.432 9.421 -9.583 1.00 75.22 O ATOM 2217 CB LEU B 60 -3.372 7.474 -12.003 1.00 73.21 C ATOM 2218 CG LEU B 60 -4.353 6.774 -13.015 1.00 73.14 C ATOM 2219 CD1 LEU B 60 -5.543 7.673 -13.425 1.00 65.40 C ATOM 2220 CD2 LEU B 60 -3.585 6.274 -14.262 1.00 13.10 C ATOM 0 H LEU B 60 -4.759 9.576 -11.432 1.00 63.35 H new ATOM 0 HA LEU B 60 -4.428 6.947 -10.174 1.00 71.54 H new ATOM 0 HB2 LEU B 60 -3.015 8.396 -12.463 1.00 73.21 H new ATOM 0 HB3 LEU B 60 -2.505 6.827 -11.871 1.00 73.21 H new ATOM 0 HG LEU B 60 -4.780 5.917 -12.494 1.00 73.14 H new ATOM 0 HD11 LEU B 60 -6.183 7.134 -14.124 1.00 65.40 H new ATOM 0 HD12 LEU B 60 -6.119 7.941 -12.539 1.00 65.40 H new ATOM 0 HD13 LEU B 60 -5.168 8.579 -13.902 1.00 65.40 H new ATOM 0 HD21 LEU B 60 -4.281 5.793 -14.949 1.00 13.10 H new ATOM 0 HD22 LEU B 60 -3.109 7.119 -14.760 1.00 13.10 H new ATOM 0 HD23 LEU B 60 -2.823 5.557 -13.957 1.00 13.10 H new ATOM 2232 N ILE B 61 -2.144 7.266 -8.972 1.00 31.20 N ATOM 2233 CA ILE B 61 -1.027 7.540 -8.032 1.00 53.45 C ATOM 2234 C ILE B 61 0.351 7.421 -8.743 1.00 11.24 C ATOM 2235 O ILE B 61 0.587 6.479 -9.505 1.00 61.15 O ATOM 2236 CB ILE B 61 -1.065 6.556 -6.797 1.00 24.22 C ATOM 2237 CG1 ILE B 61 -2.455 6.592 -6.085 1.00 64.22 C ATOM 2238 CG2 ILE B 61 0.074 6.866 -5.791 1.00 34.32 C ATOM 2239 CD1 ILE B 61 -2.787 7.888 -5.376 1.00 5.51 C ATOM 0 H ILE B 61 -2.391 6.279 -9.045 1.00 31.20 H new ATOM 0 HA ILE B 61 -1.154 8.562 -7.676 1.00 53.45 H new ATOM 0 HB ILE B 61 -0.908 5.548 -7.181 1.00 24.22 H new ATOM 0 HG12 ILE B 61 -3.229 6.394 -6.826 1.00 64.22 H new ATOM 0 HG13 ILE B 61 -2.494 5.780 -5.359 1.00 64.22 H new ATOM 0 HG21 ILE B 61 0.019 6.171 -4.953 1.00 34.32 H new ATOM 0 HG22 ILE B 61 1.038 6.759 -6.288 1.00 34.32 H new ATOM 0 HG23 ILE B 61 -0.033 7.886 -5.423 1.00 34.32 H new ATOM 0 HD11 ILE B 61 -3.772 7.809 -4.915 1.00 5.51 H new ATOM 0 HD12 ILE B 61 -2.041 8.083 -4.606 1.00 5.51 H new ATOM 0 HD13 ILE B 61 -2.788 8.707 -6.096 1.00 5.51 H new ATOM 2251 N GLU B 62 1.247 8.398 -8.491 1.00 61.23 N ATOM 2252 CA GLU B 62 2.675 8.329 -8.877 1.00 73.13 C ATOM 2253 C GLU B 62 3.538 8.509 -7.608 1.00 62.14 C ATOM 2254 O GLU B 62 3.281 9.408 -6.792 1.00 12.52 O ATOM 2255 CB GLU B 62 3.048 9.409 -9.932 1.00 11.23 C ATOM 2256 CG GLU B 62 2.290 9.314 -11.272 1.00 32.50 C ATOM 2257 CD GLU B 62 2.886 10.232 -12.362 1.00 45.45 C ATOM 2258 OE1 GLU B 62 3.033 11.444 -12.115 1.00 73.04 O ATOM 2259 OE2 GLU B 62 3.245 9.743 -13.457 1.00 11.02 O ATOM 0 H GLU B 62 1.000 9.263 -8.011 1.00 61.23 H new ATOM 0 HA GLU B 62 2.863 7.358 -9.334 1.00 73.13 H new ATOM 0 HB2 GLU B 62 2.866 10.393 -9.500 1.00 11.23 H new ATOM 0 HB3 GLU B 62 4.117 9.342 -10.133 1.00 11.23 H new ATOM 0 HG2 GLU B 62 2.308 8.282 -11.622 1.00 32.50 H new ATOM 0 HG3 GLU B 62 1.245 9.578 -11.113 1.00 32.50 H new ATOM 2266 N ILE B 63 4.546 7.637 -7.445 1.00 32.11 N ATOM 2267 CA ILE B 63 5.427 7.625 -6.261 1.00 64.24 C ATOM 2268 C ILE B 63 6.686 8.479 -6.530 1.00 30.25 C ATOM 2269 O ILE B 63 7.437 8.207 -7.470 1.00 5.15 O ATOM 2270 CB ILE B 63 5.849 6.150 -5.875 1.00 35.42 C ATOM 2271 CG1 ILE B 63 4.605 5.197 -5.853 1.00 35.22 C ATOM 2272 CG2 ILE B 63 6.600 6.117 -4.514 1.00 15.03 C ATOM 2273 CD1 ILE B 63 3.488 5.609 -4.901 1.00 74.14 C ATOM 0 H ILE B 63 4.775 6.918 -8.131 1.00 32.11 H new ATOM 0 HA ILE B 63 4.873 8.050 -5.424 1.00 64.24 H new ATOM 0 HB ILE B 63 6.535 5.790 -6.642 1.00 35.42 H new ATOM 0 HG12 ILE B 63 4.197 5.136 -6.862 1.00 35.22 H new ATOM 0 HG13 ILE B 63 4.940 4.195 -5.583 1.00 35.22 H new ATOM 0 HG21 ILE B 63 6.877 5.090 -4.276 1.00 15.03 H new ATOM 0 HG22 ILE B 63 7.499 6.729 -4.580 1.00 15.03 H new ATOM 0 HG23 ILE B 63 5.951 6.509 -3.731 1.00 15.03 H new ATOM 0 HD11 ILE B 63 2.674 4.886 -4.960 1.00 74.14 H new ATOM 0 HD12 ILE B 63 3.872 5.641 -3.881 1.00 74.14 H new ATOM 0 HD13 ILE B 63 3.118 6.595 -5.180 1.00 74.14 H new ATOM 2285 N TYR B 64 6.884 9.530 -5.719 1.00 61.51 N ATOM 2286 CA TYR B 64 8.088 10.400 -5.770 1.00 75.30 C ATOM 2287 C TYR B 64 8.927 10.251 -4.474 1.00 31.22 C ATOM 2288 O TYR B 64 8.484 9.637 -3.500 1.00 15.50 O ATOM 2289 CB TYR B 64 7.665 11.885 -5.975 1.00 74.11 C ATOM 2290 CG TYR B 64 7.085 12.216 -7.360 1.00 15.42 C ATOM 2291 CD1 TYR B 64 5.774 11.870 -7.700 1.00 14.31 C ATOM 2292 CD2 TYR B 64 7.846 12.883 -8.328 1.00 21.21 C ATOM 2293 CE1 TYR B 64 5.248 12.172 -8.945 1.00 21.41 C ATOM 2294 CE2 TYR B 64 7.321 13.187 -9.571 1.00 53.14 C ATOM 2295 CZ TYR B 64 6.025 12.829 -9.874 1.00 53.11 C ATOM 2296 OH TYR B 64 5.507 13.128 -11.117 1.00 35.41 O ATOM 0 H TYR B 64 6.214 9.809 -5.002 1.00 61.51 H new ATOM 0 HA TYR B 64 8.705 10.089 -6.613 1.00 75.30 H new ATOM 0 HB2 TYR B 64 6.925 12.143 -5.218 1.00 74.11 H new ATOM 0 HB3 TYR B 64 8.533 12.521 -5.801 1.00 74.11 H new ATOM 0 HD1 TYR B 64 5.158 11.356 -6.976 1.00 14.31 H new ATOM 0 HD2 TYR B 64 8.863 13.166 -8.099 1.00 21.21 H new ATOM 0 HE1 TYR B 64 4.233 11.894 -9.187 1.00 21.41 H new ATOM 0 HE2 TYR B 64 7.925 13.704 -10.302 1.00 53.14 H new ATOM 0 HH TYR B 64 4.866 12.435 -11.380 1.00 35.41 H new ATOM 2306 N ASN B 65 10.149 10.813 -4.490 1.00 50.23 N ATOM 2307 CA ASN B 65 11.074 10.806 -3.321 1.00 33.43 C ATOM 2308 C ASN B 65 10.677 11.911 -2.309 1.00 44.13 C ATOM 2309 O ASN B 65 10.057 12.908 -2.698 1.00 32.02 O ATOM 2310 CB ASN B 65 12.535 11.048 -3.802 1.00 34.35 C ATOM 2311 CG ASN B 65 12.914 10.198 -5.014 1.00 52.13 C ATOM 2312 OD1 ASN B 65 12.634 10.570 -6.143 1.00 63.14 O ATOM 2313 ND2 ASN B 65 13.567 9.073 -4.805 1.00 43.33 N ATOM 0 H ASN B 65 10.531 11.287 -5.308 1.00 50.23 H new ATOM 0 HA ASN B 65 11.005 9.835 -2.831 1.00 33.43 H new ATOM 0 HB2 ASN B 65 12.660 12.102 -4.051 1.00 34.35 H new ATOM 0 HB3 ASN B 65 13.222 10.831 -2.984 1.00 34.35 H new ATOM 0 HD21 ASN B 65 13.849 8.493 -5.595 1.00 43.33 H new ATOM 0 HD22 ASN B 65 13.790 8.782 -3.853 1.00 43.33 H new ATOM 2320 N GLU B 66 11.025 11.729 -1.014 1.00 62.54 N ATOM 2321 CA GLU B 66 10.845 12.786 0.024 1.00 44.32 C ATOM 2322 C GLU B 66 11.503 14.120 -0.387 1.00 22.04 C ATOM 2323 O GLU B 66 12.614 14.154 -0.930 1.00 11.15 O ATOM 2324 CB GLU B 66 11.411 12.326 1.394 1.00 21.22 C ATOM 2325 CG GLU B 66 11.266 13.361 2.537 1.00 24.14 C ATOM 2326 CD GLU B 66 11.961 12.936 3.841 1.00 2.31 C ATOM 2327 OE1 GLU B 66 13.216 12.949 3.889 1.00 44.44 O ATOM 2328 OE2 GLU B 66 11.272 12.587 4.826 1.00 45.54 O ATOM 0 H GLU B 66 11.432 10.864 -0.658 1.00 62.54 H new ATOM 0 HA GLU B 66 9.772 12.951 0.117 1.00 44.32 H new ATOM 0 HB2 GLU B 66 10.906 11.406 1.689 1.00 21.22 H new ATOM 0 HB3 GLU B 66 12.467 12.085 1.273 1.00 21.22 H new ATOM 0 HG2 GLU B 66 11.680 14.314 2.208 1.00 24.14 H new ATOM 0 HG3 GLU B 66 10.207 13.525 2.736 1.00 24.14 H new