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+ 167:sc= -1.71! (180deg=-2.8!) USER MOD Set 1.2: B 64 TYR OH : rot 71:sc= 0.242 USER MOD Set 2.1: A 50 ASN : amide:sc= 1.08 K(o=2.4,f=-6.2!) USER MOD Set 2.2: B 3 LYS NZ :NH3+ -131:sc= 1.33 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0022) USER MOD Single : A 9 ASN : amide:sc= 0.64 K(o=0.64,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= 0.491 (180deg=0.297) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 24 SER OG : rot -97:sc= 0.156 USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= 0.0189 (180deg=-0.112) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 35 SER OG : rot 160:sc= 0.0825 USER MOD Single : A 38 SER OG : rot -170:sc= 0.528 USER MOD Single : A 39 THR OG1 : rot 80:sc= -0.154 USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.151 (180deg=-0.688) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0854) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00543 USER MOD Single : A 65 ASN : amide:sc= -1.03 K(o=-1,f=-0.037) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -1.64 K(o=-1.6,f=-8.4!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 103:sc= 0.094 USER MOD Single : B 31 LYS NZ :NH3+ 170:sc=-0.00791 (180deg=-0.137) USER MOD Single : B 33 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.15) USER MOD Single : B 35 SER OG : rot 180:sc=-0.00811 USER MOD Single : B 38 SER OG : rot 180:sc= 0.0399 USER MOD Single : B 39 THR OG1 : rot 76:sc= 0.546 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -121:sc= 0.0614 (180deg=-0.361) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.926 K(o=-0.93,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.737 14.028 5.285 1.00 32.12 N ATOM 55 CA LYS A 4 -3.113 13.948 5.845 1.00 53.33 C ATOM 56 C LYS A 4 -4.004 12.939 5.081 1.00 43.25 C ATOM 57 O LYS A 4 -4.861 12.292 5.681 1.00 51.22 O ATOM 58 CB LYS A 4 -3.799 15.341 5.809 1.00 5.32 C ATOM 59 CG LYS A 4 -3.100 16.454 6.615 1.00 72.33 C ATOM 60 CD LYS A 4 -2.997 16.141 8.127 1.00 31.44 C ATOM 61 CE LYS A 4 -2.562 17.368 8.954 1.00 32.41 C ATOM 62 NZ LYS A 4 -1.270 17.952 8.490 1.00 54.32 N ATOM 0 HA LYS A 4 -3.007 13.604 6.874 1.00 53.33 H new ATOM 0 HB2 LYS A 4 -3.872 15.662 4.770 1.00 5.32 H new ATOM 0 HB3 LYS A 4 -4.818 15.233 6.182 1.00 5.32 H new ATOM 0 HG2 LYS A 4 -2.098 16.609 6.214 1.00 72.33 H new ATOM 0 HG3 LYS A 4 -3.646 17.388 6.481 1.00 72.33 H new ATOM 0 HD2 LYS A 4 -3.962 15.787 8.488 1.00 31.44 H new ATOM 0 HD3 LYS A 4 -2.283 15.332 8.280 1.00 31.44 H new ATOM 0 HE2 LYS A 4 -3.339 18.130 8.901 1.00 32.41 H new ATOM 0 HE3 LYS A 4 -2.470 17.080 10.001 1.00 32.41 H new ATOM 0 HZ1 LYS A 4 -1.019 18.762 9.092 1.00 54.32 H new ATOM 0 HZ2 LYS A 4 -0.522 17.232 8.549 1.00 54.32 H new ATOM 0 HZ3 LYS A 4 -1.367 18.270 7.505 1.00 54.32 H new ATOM 76 N ILE A 5 -3.777 12.836 3.755 1.00 35.53 N ATOM 77 CA ILE A 5 -4.545 11.949 2.845 1.00 33.44 C ATOM 78 C ILE A 5 -4.581 10.481 3.352 1.00 52.32 C ATOM 79 O ILE A 5 -5.654 9.930 3.611 1.00 22.43 O ATOM 80 CB ILE A 5 -3.933 11.979 1.387 1.00 64.22 C ATOM 81 CG1 ILE A 5 -3.854 13.444 0.842 1.00 63.41 C ATOM 82 CG2 ILE A 5 -4.734 11.066 0.418 1.00 22.52 C ATOM 83 CD1 ILE A 5 -3.131 13.598 -0.495 1.00 61.53 C ATOM 0 H ILE A 5 -3.050 13.369 3.278 1.00 35.53 H new ATOM 0 HA ILE A 5 -5.566 12.330 2.825 1.00 33.44 H new ATOM 0 HB ILE A 5 -2.918 11.586 1.447 1.00 64.22 H new ATOM 0 HG12 ILE A 5 -4.867 13.831 0.737 1.00 63.41 H new ATOM 0 HG13 ILE A 5 -3.351 14.065 1.583 1.00 63.41 H new ATOM 0 HG21 ILE A 5 -4.287 11.109 -0.575 1.00 22.52 H new ATOM 0 HG22 ILE A 5 -4.710 10.039 0.782 1.00 22.52 H new ATOM 0 HG23 ILE A 5 -5.768 11.408 0.366 1.00 22.52 H new ATOM 0 HD11 ILE A 5 -3.129 14.648 -0.789 1.00 61.53 H new ATOM 0 HD12 ILE A 5 -2.104 13.247 -0.396 1.00 61.53 H new ATOM 0 HD13 ILE A 5 -3.644 13.010 -1.256 1.00 61.53 H new ATOM 95 N VAL A 6 -3.388 9.888 3.525 1.00 64.53 N ATOM 96 CA VAL A 6 -3.232 8.451 3.856 1.00 52.14 C ATOM 97 C VAL A 6 -3.902 8.064 5.204 1.00 23.13 C ATOM 98 O VAL A 6 -4.498 6.997 5.300 1.00 1.33 O ATOM 99 CB VAL A 6 -1.714 8.033 3.841 1.00 75.24 C ATOM 100 CG1 VAL A 6 -1.095 8.291 2.446 1.00 62.42 C ATOM 101 CG2 VAL A 6 -0.901 8.759 4.940 1.00 11.24 C ATOM 0 H VAL A 6 -2.502 10.386 3.441 1.00 64.53 H new ATOM 0 HA VAL A 6 -3.756 7.894 3.079 1.00 52.14 H new ATOM 0 HB VAL A 6 -1.668 6.965 4.056 1.00 75.24 H new ATOM 0 HG11 VAL A 6 -0.046 7.997 2.454 1.00 62.42 H new ATOM 0 HG12 VAL A 6 -1.630 7.708 1.697 1.00 62.42 H new ATOM 0 HG13 VAL A 6 -1.173 9.351 2.204 1.00 62.42 H new ATOM 0 HG21 VAL A 6 0.140 8.440 4.893 1.00 11.24 H new ATOM 0 HG22 VAL A 6 -0.958 9.836 4.783 1.00 11.24 H new ATOM 0 HG23 VAL A 6 -1.312 8.512 5.919 1.00 11.24 H new ATOM 111 N GLY A 7 -3.827 8.963 6.209 1.00 3.34 N ATOM 112 CA GLY A 7 -4.479 8.747 7.516 1.00 24.21 C ATOM 113 C GLY A 7 -5.997 8.942 7.468 1.00 2.23 C ATOM 114 O GLY A 7 -6.755 8.191 8.104 1.00 12.11 O ATOM 0 H GLY A 7 -3.321 9.846 6.139 1.00 3.34 H new ATOM 0 HA2 GLY A 7 -4.259 7.737 7.863 1.00 24.21 H new ATOM 0 HA3 GLY A 7 -4.053 9.435 8.246 1.00 24.21 H new ATOM 118 N ALA A 8 -6.436 9.956 6.694 1.00 41.14 N ATOM 119 CA ALA A 8 -7.867 10.295 6.507 1.00 30.13 C ATOM 120 C ALA A 8 -8.650 9.146 5.833 1.00 23.52 C ATOM 121 O ALA A 8 -9.820 8.899 6.148 1.00 74.13 O ATOM 122 CB ALA A 8 -7.992 11.581 5.676 1.00 41.11 C ATOM 0 H ALA A 8 -5.805 10.568 6.177 1.00 41.14 H new ATOM 0 HA ALA A 8 -8.304 10.452 7.493 1.00 30.13 H new ATOM 0 HB1 ALA A 8 -9.045 11.826 5.541 1.00 41.11 H new ATOM 0 HB2 ALA A 8 -7.493 12.399 6.195 1.00 41.11 H new ATOM 0 HB3 ALA A 8 -7.527 11.431 4.702 1.00 41.11 H new ATOM 128 N ASN A 9 -7.990 8.456 4.888 1.00 30.40 N ATOM 129 CA ASN A 9 -8.557 7.273 4.217 1.00 1.02 C ATOM 130 C ASN A 9 -8.335 5.988 5.045 1.00 5.55 C ATOM 131 O ASN A 9 -9.169 5.092 4.995 1.00 12.35 O ATOM 132 CB ASN A 9 -7.981 7.126 2.787 1.00 1.00 C ATOM 133 CG ASN A 9 -8.442 8.258 1.856 1.00 4.31 C ATOM 134 OD1 ASN A 9 -9.523 8.203 1.282 1.00 23.13 O ATOM 135 ND2 ASN A 9 -7.633 9.285 1.685 1.00 31.31 N ATOM 0 H ASN A 9 -7.053 8.701 4.568 1.00 30.40 H new ATOM 0 HA ASN A 9 -9.634 7.421 4.136 1.00 1.02 H new ATOM 0 HB2 ASN A 9 -6.892 7.118 2.835 1.00 1.00 H new ATOM 0 HB3 ASN A 9 -8.289 6.167 2.370 1.00 1.00 H new ATOM 0 HD21 ASN A 9 -7.904 10.050 1.067 1.00 31.31 H new ATOM 0 HD22 ASN A 9 -6.737 9.315 2.171 1.00 31.31 H new ATOM 142 N ALA A 10 -7.245 5.930 5.852 1.00 11.12 N ATOM 143 CA ALA A 10 -6.902 4.725 6.669 1.00 72.34 C ATOM 144 C ALA A 10 -7.942 4.467 7.786 1.00 52.13 C ATOM 145 O ALA A 10 -8.170 3.316 8.176 1.00 15.31 O ATOM 146 CB ALA A 10 -5.496 4.865 7.275 1.00 42.12 C ATOM 0 H ALA A 10 -6.585 6.701 5.958 1.00 11.12 H new ATOM 0 HA ALA A 10 -6.918 3.866 5.999 1.00 72.34 H new ATOM 0 HB1 ALA A 10 -5.265 3.979 7.866 1.00 42.12 H new ATOM 0 HB2 ALA A 10 -4.763 4.969 6.475 1.00 42.12 H new ATOM 0 HB3 ALA A 10 -5.462 5.747 7.915 1.00 42.12 H new ATOM 152 N GLY A 11 -8.553 5.555 8.294 1.00 30.01 N ATOM 153 CA GLY A 11 -9.663 5.459 9.253 1.00 72.22 C ATOM 154 C GLY A 11 -10.893 4.753 8.675 1.00 22.44 C ATOM 155 O GLY A 11 -11.487 3.887 9.322 1.00 53.31 O ATOM 0 H GLY A 11 -8.293 6.512 8.053 1.00 30.01 H new ATOM 0 HA2 GLY A 11 -9.325 4.921 10.139 1.00 72.22 H new ATOM 0 HA3 GLY A 11 -9.944 6.461 9.576 1.00 72.22 H new ATOM 159 N LYS A 12 -11.248 5.126 7.435 1.00 21.13 N ATOM 160 CA LYS A 12 -12.403 4.561 6.701 1.00 42.41 C ATOM 161 C LYS A 12 -12.122 3.105 6.224 1.00 4.34 C ATOM 162 O LYS A 12 -13.014 2.248 6.261 1.00 54.33 O ATOM 163 CB LYS A 12 -12.737 5.482 5.498 1.00 75.40 C ATOM 164 CG LYS A 12 -14.059 5.154 4.771 1.00 55.32 C ATOM 165 CD LYS A 12 -14.320 6.099 3.576 1.00 44.13 C ATOM 166 CE LYS A 12 -15.690 5.874 2.921 1.00 12.44 C ATOM 167 NZ LYS A 12 -15.871 6.731 1.722 1.00 62.24 N ATOM 0 H LYS A 12 -10.740 5.834 6.905 1.00 21.13 H new ATOM 0 HA LYS A 12 -13.259 4.514 7.374 1.00 42.41 H new ATOM 0 HB2 LYS A 12 -12.780 6.513 5.850 1.00 75.40 H new ATOM 0 HB3 LYS A 12 -11.920 5.425 4.778 1.00 75.40 H new ATOM 0 HG2 LYS A 12 -14.031 4.123 4.417 1.00 55.32 H new ATOM 0 HG3 LYS A 12 -14.887 5.226 5.476 1.00 55.32 H new ATOM 0 HD2 LYS A 12 -14.251 7.132 3.916 1.00 44.13 H new ATOM 0 HD3 LYS A 12 -13.539 5.956 2.830 1.00 44.13 H new ATOM 0 HE2 LYS A 12 -15.791 4.826 2.638 1.00 12.44 H new ATOM 0 HE3 LYS A 12 -16.478 6.087 3.643 1.00 12.44 H new ATOM 0 HZ1 LYS A 12 -16.885 6.816 1.506 1.00 62.24 H new ATOM 0 HZ2 LYS A 12 -15.476 7.675 1.907 1.00 62.24 H new ATOM 0 HZ3 LYS A 12 -15.380 6.303 0.912 1.00 62.24 H new ATOM 181 N VAL A 13 -10.869 2.848 5.788 1.00 61.32 N ATOM 182 CA VAL A 13 -10.411 1.510 5.331 1.00 21.23 C ATOM 183 C VAL A 13 -10.475 0.474 6.476 1.00 75.00 C ATOM 184 O VAL A 13 -11.024 -0.624 6.311 1.00 72.42 O ATOM 185 CB VAL A 13 -8.969 1.594 4.691 1.00 72.04 C ATOM 186 CG1 VAL A 13 -8.362 0.197 4.429 1.00 13.50 C ATOM 187 CG2 VAL A 13 -9.006 2.419 3.374 1.00 15.33 C ATOM 0 H VAL A 13 -10.142 3.562 5.742 1.00 61.32 H new ATOM 0 HA VAL A 13 -11.093 1.167 4.552 1.00 21.23 H new ATOM 0 HB VAL A 13 -8.327 2.098 5.413 1.00 72.04 H new ATOM 0 HG11 VAL A 13 -7.371 0.308 3.989 1.00 13.50 H new ATOM 0 HG12 VAL A 13 -8.282 -0.347 5.370 1.00 13.50 H new ATOM 0 HG13 VAL A 13 -9.004 -0.356 3.743 1.00 13.50 H new ATOM 0 HG21 VAL A 13 -8.005 2.467 2.946 1.00 15.33 H new ATOM 0 HG22 VAL A 13 -9.681 1.941 2.664 1.00 15.33 H new ATOM 0 HG23 VAL A 13 -9.358 3.428 3.587 1.00 15.33 H new ATOM 197 N TRP A 14 -9.942 0.866 7.644 1.00 73.02 N ATOM 198 CA TRP A 14 -9.993 0.033 8.863 1.00 65.21 C ATOM 199 C TRP A 14 -11.446 -0.137 9.369 1.00 35.01 C ATOM 200 O TRP A 14 -11.784 -1.173 9.922 1.00 11.32 O ATOM 201 CB TRP A 14 -9.099 0.609 9.984 1.00 50.44 C ATOM 202 CG TRP A 14 -8.852 -0.377 11.104 1.00 71.35 C ATOM 203 CD1 TRP A 14 -7.967 -1.415 11.100 1.00 73.01 C ATOM 204 CD2 TRP A 14 -9.524 -0.436 12.365 1.00 44.44 C ATOM 205 NE1 TRP A 14 -8.032 -2.096 12.287 1.00 10.43 N ATOM 206 CE2 TRP A 14 -8.987 -1.518 13.079 1.00 71.22 C ATOM 207 CE3 TRP A 14 -10.527 0.331 12.951 1.00 51.33 C ATOM 208 CZ2 TRP A 14 -9.420 -1.852 14.362 1.00 34.41 C ATOM 209 CZ3 TRP A 14 -10.962 0.004 14.222 1.00 54.03 C ATOM 210 CH2 TRP A 14 -10.410 -1.083 14.916 1.00 2.01 C ATOM 0 H TRP A 14 -9.467 1.760 7.773 1.00 73.02 H new ATOM 0 HA TRP A 14 -9.606 -0.950 8.593 1.00 65.21 H new ATOM 0 HB2 TRP A 14 -8.143 0.915 9.559 1.00 50.44 H new ATOM 0 HB3 TRP A 14 -9.568 1.505 10.392 1.00 50.44 H new ATOM 0 HD1 TRP A 14 -7.310 -1.664 10.280 1.00 73.01 H new ATOM 0 HE1 TRP A 14 -7.461 -2.903 12.540 1.00 10.43 H new ATOM 0 HE3 TRP A 14 -10.958 1.168 12.422 1.00 51.33 H new ATOM 0 HZ2 TRP A 14 -8.991 -2.685 14.899 1.00 34.41 H new ATOM 0 HZ3 TRP A 14 -11.738 0.594 14.687 1.00 54.03 H new ATOM 0 HH2 TRP A 14 -10.772 -1.318 15.906 1.00 2.01 H new ATOM 221 N HIS A 15 -12.282 0.901 9.182 1.00 4.05 N ATOM 222 CA HIS A 15 -13.718 0.873 9.561 1.00 63.34 C ATOM 223 C HIS A 15 -14.496 -0.227 8.784 1.00 75.11 C ATOM 224 O HIS A 15 -15.316 -0.951 9.363 1.00 75.40 O ATOM 225 CB HIS A 15 -14.339 2.272 9.314 1.00 23.22 C ATOM 226 CG HIS A 15 -15.759 2.434 9.785 1.00 74.24 C ATOM 227 ND1 HIS A 15 -16.094 2.576 11.114 1.00 32.54 N ATOM 228 CD2 HIS A 15 -16.928 2.479 9.104 1.00 11.31 C ATOM 229 CE1 HIS A 15 -17.397 2.701 11.229 1.00 25.42 C ATOM 230 NE2 HIS A 15 -17.930 2.646 10.028 1.00 63.33 N ATOM 0 H HIS A 15 -11.987 1.784 8.765 1.00 4.05 H new ATOM 0 HA HIS A 15 -13.794 0.625 10.620 1.00 63.34 H new ATOM 0 HB2 HIS A 15 -13.721 3.019 9.811 1.00 23.22 H new ATOM 0 HB3 HIS A 15 -14.301 2.486 8.246 1.00 23.22 H new ATOM 0 HD2 HIS A 15 -17.050 2.399 8.034 1.00 11.31 H new ATOM 0 HE1 HIS A 15 -17.939 2.828 12.154 1.00 25.42 H new ATOM 0 HE2 HIS A 15 -18.926 2.716 9.817 1.00 63.33 H new ATOM 239 N ALA A 16 -14.209 -0.343 7.477 1.00 72.14 N ATOM 240 CA ALA A 16 -14.796 -1.389 6.603 1.00 72.02 C ATOM 241 C ALA A 16 -14.238 -2.795 6.946 1.00 71.10 C ATOM 242 O ALA A 16 -14.951 -3.798 6.887 1.00 42.01 O ATOM 243 CB ALA A 16 -14.519 -1.043 5.137 1.00 13.33 C ATOM 0 H ALA A 16 -13.565 0.281 6.991 1.00 72.14 H new ATOM 0 HA ALA A 16 -15.872 -1.417 6.772 1.00 72.02 H new ATOM 0 HB1 ALA A 16 -14.950 -1.811 4.494 1.00 13.33 H new ATOM 0 HB2 ALA A 16 -14.967 -0.078 4.900 1.00 13.33 H new ATOM 0 HB3 ALA A 16 -13.443 -0.994 4.972 1.00 13.33 H new ATOM 249 N LEU A 17 -12.948 -2.816 7.304 1.00 23.31 N ATOM 250 CA LEU A 17 -12.198 -4.023 7.730 1.00 35.10 C ATOM 251 C LEU A 17 -12.660 -4.518 9.137 1.00 4.45 C ATOM 252 O LEU A 17 -12.637 -5.721 9.418 1.00 2.50 O ATOM 253 CB LEU A 17 -10.674 -3.637 7.685 1.00 43.41 C ATOM 254 CG LEU A 17 -9.573 -4.662 8.140 1.00 70.13 C ATOM 255 CD1 LEU A 17 -9.386 -4.691 9.672 1.00 12.20 C ATOM 256 CD2 LEU A 17 -9.832 -6.063 7.565 1.00 72.30 C ATOM 0 H LEU A 17 -12.373 -1.974 7.308 1.00 23.31 H new ATOM 0 HA LEU A 17 -12.388 -4.866 7.065 1.00 35.10 H new ATOM 0 HB2 LEU A 17 -10.445 -3.355 6.657 1.00 43.41 H new ATOM 0 HB3 LEU A 17 -10.552 -2.743 8.296 1.00 43.41 H new ATOM 0 HG LEU A 17 -8.628 -4.310 7.725 1.00 70.13 H new ATOM 0 HD11 LEU A 17 -8.614 -5.416 9.931 1.00 12.20 H new ATOM 0 HD12 LEU A 17 -9.087 -3.702 10.021 1.00 12.20 H new ATOM 0 HD13 LEU A 17 -10.325 -4.975 10.148 1.00 12.20 H new ATOM 0 HD21 LEU A 17 -9.050 -6.744 7.901 1.00 72.30 H new ATOM 0 HD22 LEU A 17 -10.801 -6.424 7.909 1.00 72.30 H new ATOM 0 HD23 LEU A 17 -9.828 -6.016 6.476 1.00 72.30 H new ATOM 268 N ASN A 18 -13.098 -3.576 9.995 1.00 32.41 N ATOM 269 CA ASN A 18 -13.363 -3.825 11.438 1.00 73.12 C ATOM 270 C ASN A 18 -14.518 -4.832 11.672 1.00 12.43 C ATOM 271 O ASN A 18 -14.408 -5.716 12.523 1.00 14.35 O ATOM 272 CB ASN A 18 -13.665 -2.476 12.157 1.00 15.34 C ATOM 273 CG ASN A 18 -13.737 -2.575 13.687 1.00 72.45 C ATOM 274 OD1 ASN A 18 -13.075 -3.403 14.308 1.00 31.43 O ATOM 275 ND2 ASN A 18 -14.522 -1.717 14.309 1.00 0.11 N ATOM 0 H ASN A 18 -13.281 -2.613 9.711 1.00 32.41 H new ATOM 0 HA ASN A 18 -12.465 -4.277 11.860 1.00 73.12 H new ATOM 0 HB2 ASN A 18 -12.894 -1.754 11.888 1.00 15.34 H new ATOM 0 HB3 ASN A 18 -14.612 -2.084 11.785 1.00 15.34 H new ATOM 0 HD21 ASN A 18 -14.589 -1.732 15.327 1.00 0.11 H new ATOM 0 HD22 ASN A 18 -15.062 -1.038 13.772 1.00 0.11 H new ATOM 282 N GLU A 19 -15.614 -4.694 10.906 1.00 41.41 N ATOM 283 CA GLU A 19 -16.823 -5.551 11.062 1.00 4.43 C ATOM 284 C GLU A 19 -16.690 -6.918 10.353 1.00 43.12 C ATOM 285 O GLU A 19 -17.485 -7.834 10.616 1.00 32.40 O ATOM 286 CB GLU A 19 -18.074 -4.801 10.536 1.00 43.35 C ATOM 287 CG GLU A 19 -18.372 -3.471 11.252 1.00 44.34 C ATOM 288 CD GLU A 19 -18.581 -3.627 12.769 1.00 5.52 C ATOM 289 OE1 GLU A 19 -19.691 -4.025 13.189 1.00 53.14 O ATOM 290 OE2 GLU A 19 -17.639 -3.356 13.550 1.00 51.20 O ATOM 0 H GLU A 19 -15.696 -3.996 10.167 1.00 41.41 H new ATOM 0 HA GLU A 19 -16.930 -5.757 12.127 1.00 4.43 H new ATOM 0 HB2 GLU A 19 -17.943 -4.604 9.472 1.00 43.35 H new ATOM 0 HB3 GLU A 19 -18.941 -5.454 10.635 1.00 43.35 H new ATOM 0 HG2 GLU A 19 -17.548 -2.779 11.075 1.00 44.34 H new ATOM 0 HG3 GLU A 19 -19.264 -3.023 10.814 1.00 44.34 H new ATOM 297 N ALA A 20 -15.700 -7.048 9.455 1.00 23.51 N ATOM 298 CA ALA A 20 -15.461 -8.294 8.696 1.00 22.43 C ATOM 299 C ALA A 20 -14.022 -8.323 8.130 1.00 64.21 C ATOM 300 O ALA A 20 -13.741 -7.733 7.077 1.00 25.11 O ATOM 301 CB ALA A 20 -16.510 -8.455 7.574 1.00 41.23 C ATOM 0 H ALA A 20 -15.044 -6.299 9.233 1.00 23.51 H new ATOM 0 HA ALA A 20 -15.566 -9.139 9.376 1.00 22.43 H new ATOM 0 HB1 ALA A 20 -16.318 -9.378 7.026 1.00 41.23 H new ATOM 0 HB2 ALA A 20 -17.508 -8.494 8.011 1.00 41.23 H new ATOM 0 HB3 ALA A 20 -16.446 -7.608 6.891 1.00 41.23 H new ATOM 307 N ASP A 21 -13.106 -8.983 8.858 1.00 44.10 N ATOM 308 CA ASP A 21 -11.688 -9.100 8.457 1.00 5.14 C ATOM 309 C ASP A 21 -11.451 -10.299 7.503 1.00 11.14 C ATOM 310 O ASP A 21 -12.332 -11.150 7.318 1.00 43.44 O ATOM 311 CB ASP A 21 -10.794 -9.190 9.718 1.00 41.31 C ATOM 312 CG ASP A 21 -11.007 -10.470 10.543 1.00 75.12 C ATOM 313 OD1 ASP A 21 -12.076 -10.609 11.171 1.00 71.43 O ATOM 314 OD2 ASP A 21 -10.110 -11.343 10.553 1.00 41.05 O ATOM 0 H ASP A 21 -13.323 -9.450 9.738 1.00 44.10 H new ATOM 0 HA ASP A 21 -11.416 -8.205 7.897 1.00 5.14 H new ATOM 0 HB2 ASP A 21 -9.748 -9.135 9.415 1.00 41.31 H new ATOM 0 HB3 ASP A 21 -10.988 -8.325 10.352 1.00 41.31 H new ATOM 319 N GLY A 22 -10.247 -10.355 6.908 1.00 60.13 N ATOM 320 CA GLY A 22 -9.928 -11.354 5.877 1.00 51.14 C ATOM 321 C GLY A 22 -10.505 -10.966 4.517 1.00 51.50 C ATOM 322 O GLY A 22 -11.269 -11.723 3.903 1.00 22.13 O ATOM 0 H GLY A 22 -9.479 -9.719 7.125 1.00 60.13 H new ATOM 0 HA2 GLY A 22 -8.846 -11.461 5.796 1.00 51.14 H new ATOM 0 HA3 GLY A 22 -10.323 -12.325 6.176 1.00 51.14 H new ATOM 326 N ILE A 23 -10.148 -9.750 4.071 1.00 34.32 N ATOM 327 CA ILE A 23 -10.672 -9.138 2.832 1.00 5.54 C ATOM 328 C ILE A 23 -9.507 -8.609 1.955 1.00 25.41 C ATOM 329 O ILE A 23 -8.557 -8.013 2.464 1.00 65.43 O ATOM 330 CB ILE A 23 -11.704 -7.987 3.180 1.00 75.33 C ATOM 331 CG1 ILE A 23 -12.372 -7.404 1.893 1.00 43.43 C ATOM 332 CG2 ILE A 23 -11.056 -6.866 4.030 1.00 72.52 C ATOM 333 CD1 ILE A 23 -13.480 -6.387 2.148 1.00 71.31 C ATOM 0 H ILE A 23 -9.481 -9.156 4.563 1.00 34.32 H new ATOM 0 HA ILE A 23 -11.201 -9.899 2.258 1.00 5.54 H new ATOM 0 HB ILE A 23 -12.490 -8.440 3.785 1.00 75.33 H new ATOM 0 HG12 ILE A 23 -11.601 -6.934 1.282 1.00 43.43 H new ATOM 0 HG13 ILE A 23 -12.783 -8.228 1.309 1.00 43.43 H new ATOM 0 HG21 ILE A 23 -11.798 -6.098 4.246 1.00 72.52 H new ATOM 0 HG22 ILE A 23 -10.686 -7.286 4.965 1.00 72.52 H new ATOM 0 HG23 ILE A 23 -10.227 -6.424 3.478 1.00 72.52 H new ATOM 0 HD11 ILE A 23 -13.882 -6.040 1.196 1.00 71.31 H new ATOM 0 HD12 ILE A 23 -14.275 -6.854 2.729 1.00 71.31 H new ATOM 0 HD13 ILE A 23 -13.076 -5.540 2.702 1.00 71.31 H new ATOM 345 N SER A 24 -9.573 -8.858 0.638 1.00 53.43 N ATOM 346 CA SER A 24 -8.542 -8.393 -0.319 1.00 70.11 C ATOM 347 C SER A 24 -8.671 -6.877 -0.588 1.00 20.02 C ATOM 348 O SER A 24 -9.767 -6.317 -0.468 1.00 12.00 O ATOM 349 CB SER A 24 -8.655 -9.182 -1.638 1.00 63.25 C ATOM 350 OG SER A 24 -9.904 -8.958 -2.275 1.00 64.30 O ATOM 0 H SER A 24 -10.333 -9.382 0.204 1.00 53.43 H new ATOM 0 HA SER A 24 -7.562 -8.572 0.123 1.00 70.11 H new ATOM 0 HB2 SER A 24 -7.846 -8.890 -2.308 1.00 63.25 H new ATOM 0 HB3 SER A 24 -8.534 -10.247 -1.438 1.00 63.25 H new ATOM 0 HG SER A 24 -10.520 -9.687 -2.053 1.00 64.30 H new ATOM 356 N ILE A 25 -7.548 -6.238 -0.981 1.00 34.42 N ATOM 357 CA ILE A 25 -7.470 -4.769 -1.209 1.00 31.15 C ATOM 358 C ILE A 25 -8.576 -4.211 -2.178 1.00 43.12 C ATOM 359 O ILE A 25 -9.193 -3.196 -1.843 1.00 43.05 O ATOM 360 CB ILE A 25 -6.047 -4.331 -1.739 1.00 64.15 C ATOM 361 CG1 ILE A 25 -4.915 -4.815 -0.787 1.00 35.45 C ATOM 362 CG2 ILE A 25 -5.970 -2.799 -1.947 1.00 24.11 C ATOM 363 CD1 ILE A 25 -3.492 -4.580 -1.289 1.00 35.41 C ATOM 0 H ILE A 25 -6.666 -6.722 -1.151 1.00 34.42 H new ATOM 0 HA ILE A 25 -7.648 -4.332 -0.226 1.00 31.15 H new ATOM 0 HB ILE A 25 -5.900 -4.809 -2.707 1.00 64.15 H new ATOM 0 HG12 ILE A 25 -5.031 -4.312 0.173 1.00 35.45 H new ATOM 0 HG13 ILE A 25 -5.047 -5.882 -0.606 1.00 35.45 H new ATOM 0 HG21 ILE A 25 -4.979 -2.531 -2.312 1.00 24.11 H new ATOM 0 HG22 ILE A 25 -6.720 -2.493 -2.676 1.00 24.11 H new ATOM 0 HG23 ILE A 25 -6.157 -2.293 -1.000 1.00 24.11 H new ATOM 0 HD11 ILE A 25 -2.780 -4.953 -0.553 1.00 35.41 H new ATOM 0 HD12 ILE A 25 -3.347 -5.107 -2.232 1.00 35.41 H new ATOM 0 HD13 ILE A 25 -3.331 -3.513 -1.441 1.00 35.41 H new ATOM 375 N PRO A 26 -8.855 -4.829 -3.395 1.00 13.41 N ATOM 376 CA PRO A 26 -9.919 -4.317 -4.310 1.00 11.11 C ATOM 377 C PRO A 26 -11.365 -4.406 -3.728 1.00 1.53 C ATOM 378 O PRO A 26 -12.204 -3.540 -4.000 1.00 51.11 O ATOM 379 CB PRO A 26 -9.767 -5.204 -5.583 1.00 75.51 C ATOM 380 CG PRO A 26 -9.108 -6.456 -5.092 1.00 25.12 C ATOM 381 CD PRO A 26 -8.156 -6.003 -4.006 1.00 44.34 C ATOM 0 HA PRO A 26 -9.791 -3.251 -4.496 1.00 11.11 H new ATOM 0 HB2 PRO A 26 -10.735 -5.417 -6.036 1.00 75.51 H new ATOM 0 HB3 PRO A 26 -9.162 -4.708 -6.342 1.00 75.51 H new ATOM 0 HG2 PRO A 26 -9.842 -7.161 -4.703 1.00 25.12 H new ATOM 0 HG3 PRO A 26 -8.575 -6.962 -5.897 1.00 25.12 H new ATOM 0 HD2 PRO A 26 -7.979 -6.790 -3.273 1.00 44.34 H new ATOM 0 HD3 PRO A 26 -7.185 -5.724 -4.415 1.00 44.34 H new ATOM 389 N GLU A 27 -11.632 -5.443 -2.912 1.00 42.50 N ATOM 390 CA GLU A 27 -12.967 -5.667 -2.283 1.00 10.25 C ATOM 391 C GLU A 27 -13.171 -4.708 -1.101 1.00 71.14 C ATOM 392 O GLU A 27 -14.286 -4.312 -0.757 1.00 32.23 O ATOM 393 CB GLU A 27 -13.087 -7.131 -1.802 1.00 45.55 C ATOM 394 CG GLU A 27 -13.045 -8.170 -2.943 1.00 51.33 C ATOM 395 CD GLU A 27 -13.434 -9.585 -2.490 1.00 23.01 C ATOM 396 OE1 GLU A 27 -14.647 -9.836 -2.295 1.00 5.31 O ATOM 397 OE2 GLU A 27 -12.540 -10.445 -2.315 1.00 73.33 O ATOM 0 H GLU A 27 -10.940 -6.150 -2.665 1.00 42.50 H new ATOM 0 HA GLU A 27 -13.739 -5.472 -3.027 1.00 10.25 H new ATOM 0 HB2 GLU A 27 -12.278 -7.341 -1.103 1.00 45.55 H new ATOM 0 HB3 GLU A 27 -14.021 -7.247 -1.252 1.00 45.55 H new ATOM 0 HG2 GLU A 27 -13.719 -7.853 -3.739 1.00 51.33 H new ATOM 0 HG3 GLU A 27 -12.041 -8.195 -3.366 1.00 51.33 H new ATOM 404 N LEU A 28 -12.055 -4.391 -0.479 1.00 62.11 N ATOM 405 CA LEU A 28 -11.937 -3.400 0.587 1.00 3.14 C ATOM 406 C LEU A 28 -12.068 -1.963 0.014 1.00 2.54 C ATOM 407 O LEU A 28 -12.617 -1.067 0.664 1.00 34.24 O ATOM 408 CB LEU A 28 -10.570 -3.663 1.244 1.00 74.32 C ATOM 409 CG LEU A 28 -10.135 -2.776 2.428 1.00 43.10 C ATOM 410 CD1 LEU A 28 -11.147 -2.818 3.598 1.00 65.12 C ATOM 411 CD2 LEU A 28 -8.721 -3.204 2.867 1.00 74.14 C ATOM 0 H LEU A 28 -11.164 -4.832 -0.707 1.00 62.11 H new ATOM 0 HA LEU A 28 -12.733 -3.484 1.327 1.00 3.14 H new ATOM 0 HB2 LEU A 28 -10.561 -4.698 1.586 1.00 74.32 H new ATOM 0 HB3 LEU A 28 -9.809 -3.577 0.469 1.00 74.32 H new ATOM 0 HG LEU A 28 -10.113 -1.735 2.105 1.00 43.10 H new ATOM 0 HD11 LEU A 28 -10.795 -2.177 4.407 1.00 65.12 H new ATOM 0 HD12 LEU A 28 -12.118 -2.465 3.252 1.00 65.12 H new ATOM 0 HD13 LEU A 28 -11.241 -3.841 3.961 1.00 65.12 H new ATOM 0 HD21 LEU A 28 -8.397 -2.586 3.705 1.00 74.14 H new ATOM 0 HD22 LEU A 28 -8.736 -4.250 3.172 1.00 74.14 H new ATOM 0 HD23 LEU A 28 -8.028 -3.079 2.035 1.00 74.14 H new ATOM 423 N ALA A 29 -11.577 -1.781 -1.230 1.00 65.13 N ATOM 424 CA ALA A 29 -11.654 -0.500 -1.969 1.00 53.12 C ATOM 425 C ALA A 29 -13.105 -0.108 -2.344 1.00 50.21 C ATOM 426 O ALA A 29 -13.468 1.068 -2.259 1.00 23.41 O ATOM 427 CB ALA A 29 -10.769 -0.566 -3.221 1.00 63.03 C ATOM 0 H ALA A 29 -11.113 -2.523 -1.754 1.00 65.13 H new ATOM 0 HA ALA A 29 -11.287 0.281 -1.303 1.00 53.12 H new ATOM 0 HB1 ALA A 29 -10.830 0.379 -3.760 1.00 63.03 H new ATOM 0 HB2 ALA A 29 -9.736 -0.750 -2.927 1.00 63.03 H new ATOM 0 HB3 ALA A 29 -11.112 -1.375 -3.867 1.00 63.03 H new ATOM 433 N ARG A 30 -13.934 -1.097 -2.746 1.00 30.25 N ATOM 434 CA ARG A 30 -15.364 -0.850 -3.093 1.00 30.32 C ATOM 435 C ARG A 30 -16.196 -0.515 -1.825 1.00 21.21 C ATOM 436 O ARG A 30 -17.208 0.189 -1.905 1.00 53.42 O ATOM 437 CB ARG A 30 -15.983 -2.067 -3.847 1.00 64.24 C ATOM 438 CG ARG A 30 -16.218 -3.325 -2.981 1.00 24.33 C ATOM 439 CD ARG A 30 -16.769 -4.528 -3.766 1.00 40.34 C ATOM 440 NE ARG A 30 -17.035 -5.677 -2.872 1.00 14.54 N ATOM 441 CZ ARG A 30 -16.666 -6.924 -3.079 1.00 11.40 C ATOM 442 NH1 ARG A 30 -16.046 -7.280 -4.166 1.00 63.30 N ATOM 443 NH2 ARG A 30 -16.930 -7.815 -2.186 1.00 25.31 N ATOM 0 H ARG A 30 -13.646 -2.071 -2.840 1.00 30.25 H new ATOM 0 HA ARG A 30 -15.394 0.011 -3.760 1.00 30.32 H new ATOM 0 HB2 ARG A 30 -16.935 -1.760 -4.280 1.00 64.24 H new ATOM 0 HB3 ARG A 30 -15.327 -2.333 -4.676 1.00 64.24 H new ATOM 0 HG2 ARG A 30 -15.277 -3.611 -2.510 1.00 24.33 H new ATOM 0 HG3 ARG A 30 -16.914 -3.077 -2.179 1.00 24.33 H new ATOM 0 HD2 ARG A 30 -17.688 -4.241 -4.277 1.00 40.34 H new ATOM 0 HD3 ARG A 30 -16.055 -4.821 -4.536 1.00 40.34 H new ATOM 0 HE ARG A 30 -17.553 -5.485 -2.015 1.00 14.54 H new ATOM 0 HH11 ARG A 30 -15.835 -6.586 -4.883 1.00 63.30 H new ATOM 0 HH12 ARG A 30 -15.771 -8.253 -4.301 1.00 63.30 H new ATOM 0 HH21 ARG A 30 -17.419 -7.551 -1.331 1.00 25.31 H new ATOM 0 HH22 ARG A 30 -16.650 -8.784 -2.334 1.00 25.31 H new ATOM 457 N LYS A 31 -15.751 -1.042 -0.663 1.00 71.32 N ATOM 458 CA LYS A 31 -16.345 -0.745 0.662 1.00 74.42 C ATOM 459 C LYS A 31 -16.110 0.730 1.074 1.00 12.01 C ATOM 460 O LYS A 31 -16.973 1.363 1.689 1.00 75.13 O ATOM 461 CB LYS A 31 -15.724 -1.693 1.728 1.00 62.32 C ATOM 462 CG LYS A 31 -16.164 -3.173 1.632 1.00 13.22 C ATOM 463 CD LYS A 31 -17.610 -3.402 2.132 1.00 61.12 C ATOM 464 CE LYS A 31 -17.766 -3.159 3.647 1.00 72.13 C ATOM 465 NZ LYS A 31 -16.926 -4.090 4.459 1.00 43.44 N ATOM 0 H LYS A 31 -14.964 -1.690 -0.616 1.00 71.32 H new ATOM 0 HA LYS A 31 -17.421 -0.906 0.597 1.00 74.42 H new ATOM 0 HB2 LYS A 31 -14.638 -1.647 1.643 1.00 62.32 H new ATOM 0 HB3 LYS A 31 -15.982 -1.318 2.718 1.00 62.32 H new ATOM 0 HG2 LYS A 31 -16.086 -3.504 0.596 1.00 13.22 H new ATOM 0 HG3 LYS A 31 -15.481 -3.789 2.216 1.00 13.22 H new ATOM 0 HD2 LYS A 31 -18.285 -2.739 1.591 1.00 61.12 H new ATOM 0 HD3 LYS A 31 -17.912 -4.423 1.900 1.00 61.12 H new ATOM 0 HE2 LYS A 31 -17.491 -2.130 3.878 1.00 72.13 H new ATOM 0 HE3 LYS A 31 -18.813 -3.280 3.926 1.00 72.13 H new ATOM 0 HZ1 LYS A 31 -17.521 -4.569 5.164 1.00 43.44 H new ATOM 0 HZ2 LYS A 31 -16.490 -4.799 3.835 1.00 43.44 H new ATOM 0 HZ3 LYS A 31 -16.180 -3.551 4.944 1.00 43.44 H new ATOM 479 N VAL A 32 -14.918 1.256 0.742 1.00 40.13 N ATOM 480 CA VAL A 32 -14.502 2.630 1.121 1.00 73.00 C ATOM 481 C VAL A 32 -14.601 3.635 -0.049 1.00 50.52 C ATOM 482 O VAL A 32 -14.269 4.818 0.118 1.00 32.33 O ATOM 483 CB VAL A 32 -13.051 2.608 1.706 1.00 0.14 C ATOM 484 CG1 VAL A 32 -12.995 1.663 2.921 1.00 31.41 C ATOM 485 CG2 VAL A 32 -12.004 2.201 0.644 1.00 45.31 C ATOM 0 H VAL A 32 -14.214 0.748 0.206 1.00 40.13 H new ATOM 0 HA VAL A 32 -15.199 2.976 1.884 1.00 73.00 H new ATOM 0 HB VAL A 32 -12.800 3.620 2.025 1.00 0.14 H new ATOM 0 HG11 VAL A 32 -11.983 1.650 3.326 1.00 31.41 H new ATOM 0 HG12 VAL A 32 -13.688 2.013 3.686 1.00 31.41 H new ATOM 0 HG13 VAL A 32 -13.275 0.656 2.612 1.00 31.41 H new ATOM 0 HG21 VAL A 32 -11.011 2.199 1.094 1.00 45.31 H new ATOM 0 HG22 VAL A 32 -12.235 1.204 0.269 1.00 45.31 H new ATOM 0 HG23 VAL A 32 -12.027 2.913 -0.181 1.00 45.31 H new ATOM 495 N ASN A 33 -15.056 3.143 -1.224 1.00 3.31 N ATOM 496 CA ASN A 33 -15.330 3.959 -2.437 1.00 45.21 C ATOM 497 C ASN A 33 -14.042 4.592 -3.036 1.00 1.24 C ATOM 498 O ASN A 33 -14.091 5.641 -3.690 1.00 25.43 O ATOM 499 CB ASN A 33 -16.418 5.038 -2.140 1.00 0.31 C ATOM 500 CG ASN A 33 -17.708 4.450 -1.550 1.00 74.41 C ATOM 501 OD1 ASN A 33 -18.061 3.303 -1.803 1.00 52.12 O ATOM 502 ND2 ASN A 33 -18.420 5.228 -0.759 1.00 71.44 N ATOM 0 H ASN A 33 -15.248 2.151 -1.362 1.00 3.31 H new ATOM 0 HA ASN A 33 -15.718 3.283 -3.200 1.00 45.21 H new ATOM 0 HB2 ASN A 33 -16.011 5.774 -1.446 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -16.656 5.568 -3.062 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -19.284 4.879 -0.343 1.00 71.44 H new ATOM 0 HD22 ASN A 33 -18.107 6.179 -0.562 1.00 71.44 H new ATOM 509 N LEU A 34 -12.893 3.924 -2.832 1.00 30.34 N ATOM 510 CA LEU A 34 -11.583 4.333 -3.402 1.00 11.22 C ATOM 511 C LEU A 34 -11.128 3.360 -4.517 1.00 34.34 C ATOM 512 O LEU A 34 -11.785 2.350 -4.792 1.00 32.40 O ATOM 513 CB LEU A 34 -10.507 4.376 -2.281 1.00 53.41 C ATOM 514 CG LEU A 34 -10.792 5.321 -1.068 1.00 2.24 C ATOM 515 CD1 LEU A 34 -9.698 5.169 0.014 1.00 5.40 C ATOM 516 CD2 LEU A 34 -10.938 6.790 -1.525 1.00 13.41 C ATOM 0 H LEU A 34 -12.840 3.078 -2.264 1.00 30.34 H new ATOM 0 HA LEU A 34 -11.701 5.325 -3.838 1.00 11.22 H new ATOM 0 HB2 LEU A 34 -10.373 3.364 -1.899 1.00 53.41 H new ATOM 0 HB3 LEU A 34 -9.560 4.675 -2.730 1.00 53.41 H new ATOM 0 HG LEU A 34 -11.742 5.025 -0.624 1.00 2.24 H new ATOM 0 HD11 LEU A 34 -9.916 5.836 0.848 1.00 5.40 H new ATOM 0 HD12 LEU A 34 -9.678 4.138 0.369 1.00 5.40 H new ATOM 0 HD13 LEU A 34 -8.728 5.426 -0.411 1.00 5.40 H new ATOM 0 HD21 LEU A 34 -11.136 7.422 -0.659 1.00 13.41 H new ATOM 0 HD22 LEU A 34 -10.016 7.114 -2.008 1.00 13.41 H new ATOM 0 HD23 LEU A 34 -11.765 6.871 -2.230 1.00 13.41 H new ATOM 528 N SER A 35 -10.000 3.699 -5.170 1.00 24.31 N ATOM 529 CA SER A 35 -9.279 2.779 -6.081 1.00 44.51 C ATOM 530 C SER A 35 -8.450 1.758 -5.269 1.00 70.40 C ATOM 531 O SER A 35 -8.194 1.968 -4.075 1.00 23.14 O ATOM 532 CB SER A 35 -8.343 3.575 -7.022 1.00 43.14 C ATOM 533 OG SER A 35 -7.308 4.237 -6.308 1.00 2.02 O ATOM 0 H SER A 35 -9.561 4.616 -5.084 1.00 24.31 H new ATOM 0 HA SER A 35 -10.016 2.245 -6.680 1.00 44.51 H new ATOM 0 HB2 SER A 35 -7.903 2.897 -7.753 1.00 43.14 H new ATOM 0 HB3 SER A 35 -8.927 4.309 -7.578 1.00 43.14 H new ATOM 0 HG SER A 35 -6.574 4.452 -6.920 1.00 2.02 H new ATOM 539 N VAL A 36 -8.021 0.668 -5.933 1.00 63.42 N ATOM 540 CA VAL A 36 -7.179 -0.384 -5.307 1.00 2.14 C ATOM 541 C VAL A 36 -5.858 0.211 -4.755 1.00 20.12 C ATOM 542 O VAL A 36 -5.468 -0.065 -3.629 1.00 1.13 O ATOM 543 CB VAL A 36 -6.847 -1.534 -6.332 1.00 4.24 C ATOM 544 CG1 VAL A 36 -6.025 -2.676 -5.672 1.00 41.32 C ATOM 545 CG2 VAL A 36 -8.136 -2.080 -6.993 1.00 1.44 C ATOM 0 H VAL A 36 -8.243 0.487 -6.912 1.00 63.42 H new ATOM 0 HA VAL A 36 -7.752 -0.802 -4.480 1.00 2.14 H new ATOM 0 HB VAL A 36 -6.225 -1.101 -7.116 1.00 4.24 H new ATOM 0 HG11 VAL A 36 -5.817 -3.449 -6.412 1.00 41.32 H new ATOM 0 HG12 VAL A 36 -5.085 -2.275 -5.292 1.00 41.32 H new ATOM 0 HG13 VAL A 36 -6.595 -3.106 -4.849 1.00 41.32 H new ATOM 0 HG21 VAL A 36 -7.877 -2.872 -7.696 1.00 1.44 H new ATOM 0 HG22 VAL A 36 -8.798 -2.479 -6.224 1.00 1.44 H new ATOM 0 HG23 VAL A 36 -8.641 -1.274 -7.525 1.00 1.44 H new ATOM 555 N GLU A 37 -5.211 1.049 -5.572 1.00 53.50 N ATOM 556 CA GLU A 37 -3.916 1.697 -5.240 1.00 53.31 C ATOM 557 C GLU A 37 -4.043 2.734 -4.085 1.00 23.31 C ATOM 558 O GLU A 37 -3.148 2.835 -3.236 1.00 25.33 O ATOM 559 CB GLU A 37 -3.354 2.354 -6.525 1.00 33.11 C ATOM 560 CG GLU A 37 -3.116 1.358 -7.683 1.00 73.11 C ATOM 561 CD GLU A 37 -2.861 2.048 -9.033 1.00 61.41 C ATOM 562 OE1 GLU A 37 -1.691 2.344 -9.359 1.00 52.24 O ATOM 563 OE2 GLU A 37 -3.849 2.320 -9.761 1.00 43.32 O ATOM 0 H GLU A 37 -5.566 1.306 -6.493 1.00 53.50 H new ATOM 0 HA GLU A 37 -3.227 0.934 -4.877 1.00 53.31 H new ATOM 0 HB2 GLU A 37 -4.046 3.127 -6.859 1.00 33.11 H new ATOM 0 HB3 GLU A 37 -2.413 2.851 -6.286 1.00 33.11 H new ATOM 0 HG2 GLU A 37 -2.263 0.725 -7.439 1.00 73.11 H new ATOM 0 HG3 GLU A 37 -3.983 0.704 -7.775 1.00 73.11 H new ATOM 570 N SER A 38 -5.166 3.486 -4.053 1.00 62.10 N ATOM 571 CA SER A 38 -5.442 4.482 -2.974 1.00 5.54 C ATOM 572 C SER A 38 -5.733 3.788 -1.619 1.00 1.14 C ATOM 573 O SER A 38 -5.337 4.275 -0.553 1.00 62.54 O ATOM 574 CB SER A 38 -6.638 5.385 -3.359 1.00 53.41 C ATOM 575 OG SER A 38 -6.892 6.381 -2.374 1.00 34.24 O ATOM 0 H SER A 38 -5.900 3.428 -4.758 1.00 62.10 H new ATOM 0 HA SER A 38 -4.547 5.094 -2.862 1.00 5.54 H new ATOM 0 HB2 SER A 38 -6.437 5.865 -4.317 1.00 53.41 H new ATOM 0 HB3 SER A 38 -7.528 4.771 -3.492 1.00 53.41 H new ATOM 0 HG SER A 38 -7.742 6.827 -2.571 1.00 34.24 H new ATOM 581 N THR A 39 -6.439 2.646 -1.687 1.00 70.11 N ATOM 582 CA THR A 39 -6.777 1.822 -0.503 1.00 21.03 C ATOM 583 C THR A 39 -5.535 1.074 0.033 1.00 31.13 C ATOM 584 O THR A 39 -5.295 1.076 1.228 1.00 32.40 O ATOM 585 CB THR A 39 -7.919 0.809 -0.835 1.00 30.32 C ATOM 586 OG1 THR A 39 -9.084 1.539 -1.247 1.00 53.34 O ATOM 587 CG2 THR A 39 -8.294 -0.097 0.353 1.00 24.30 C ATOM 0 H THR A 39 -6.794 2.264 -2.564 1.00 70.11 H new ATOM 0 HA THR A 39 -7.129 2.497 0.277 1.00 21.03 H new ATOM 0 HB THR A 39 -7.549 0.160 -1.629 1.00 30.32 H new ATOM 0 HG1 THR A 39 -8.988 1.805 -2.185 1.00 53.34 H new ATOM 0 HG21 THR A 39 -9.093 -0.776 0.055 1.00 24.30 H new ATOM 0 HG22 THR A 39 -7.422 -0.675 0.659 1.00 24.30 H new ATOM 0 HG23 THR A 39 -8.633 0.518 1.187 1.00 24.30 H new ATOM 595 N ALA A 40 -4.743 0.473 -0.883 1.00 0.00 N ATOM 596 CA ALA A 40 -3.492 -0.277 -0.544 1.00 14.21 C ATOM 597 C ALA A 40 -2.476 0.606 0.211 1.00 4.13 C ATOM 598 O ALA A 40 -1.747 0.135 1.089 1.00 73.11 O ATOM 599 CB ALA A 40 -2.841 -0.828 -1.827 1.00 2.34 C ATOM 0 H ALA A 40 -4.945 0.489 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.775 -1.100 0.112 1.00 14.21 H new ATOM 0 HB1 ALA A 40 -1.932 -1.372 -1.569 1.00 2.34 H new ATOM 0 HB2 ALA A 40 -3.537 -1.501 -2.328 1.00 2.34 H new ATOM 0 HB3 ALA A 40 -2.593 -0.002 -2.493 1.00 2.34 H new ATOM 605 N LEU A 41 -2.448 1.883 -0.176 1.00 60.43 N ATOM 606 CA LEU A 41 -1.638 2.930 0.472 1.00 14.23 C ATOM 607 C LEU A 41 -2.072 3.104 1.955 1.00 32.31 C ATOM 608 O LEU A 41 -1.251 3.061 2.879 1.00 1.12 O ATOM 609 CB LEU A 41 -1.836 4.260 -0.319 1.00 54.45 C ATOM 610 CG LEU A 41 -0.613 5.218 -0.474 1.00 13.33 C ATOM 611 CD1 LEU A 41 -1.087 6.570 -1.026 1.00 0.44 C ATOM 612 CD2 LEU A 41 0.198 5.381 0.832 1.00 24.13 C ATOM 0 H LEU A 41 -2.996 2.230 -0.963 1.00 60.43 H new ATOM 0 HA LEU A 41 -0.585 2.650 0.464 1.00 14.23 H new ATOM 0 HB2 LEU A 41 -2.186 4.003 -1.319 1.00 54.45 H new ATOM 0 HB3 LEU A 41 -2.637 4.819 0.165 1.00 54.45 H new ATOM 0 HG LEU A 41 0.078 4.765 -1.185 1.00 13.33 H new ATOM 0 HD11 LEU A 41 -0.233 7.239 -1.134 1.00 0.44 H new ATOM 0 HD12 LEU A 41 -1.557 6.422 -1.998 1.00 0.44 H new ATOM 0 HD13 LEU A 41 -1.808 7.011 -0.338 1.00 0.44 H new ATOM 0 HD21 LEU A 41 1.034 6.058 0.659 1.00 24.13 H new ATOM 0 HD22 LEU A 41 -0.445 5.790 1.611 1.00 24.13 H new ATOM 0 HD23 LEU A 41 0.578 4.409 1.148 1.00 24.13 H new ATOM 624 N ALA A 42 -3.390 3.288 2.140 1.00 70.21 N ATOM 625 CA ALA A 42 -4.013 3.465 3.466 1.00 34.42 C ATOM 626 C ALA A 42 -3.878 2.189 4.339 1.00 72.22 C ATOM 627 O ALA A 42 -3.802 2.275 5.565 1.00 31.43 O ATOM 628 CB ALA A 42 -5.481 3.865 3.287 1.00 34.23 C ATOM 0 H ALA A 42 -4.059 3.319 1.370 1.00 70.21 H new ATOM 0 HA ALA A 42 -3.488 4.261 3.995 1.00 34.42 H new ATOM 0 HB1 ALA A 42 -5.944 3.997 4.265 1.00 34.23 H new ATOM 0 HB2 ALA A 42 -5.538 4.800 2.730 1.00 34.23 H new ATOM 0 HB3 ALA A 42 -6.007 3.083 2.739 1.00 34.23 H new ATOM 634 N VAL A 43 -3.839 1.010 3.682 1.00 24.21 N ATOM 635 CA VAL A 43 -3.593 -0.298 4.357 1.00 34.04 C ATOM 636 C VAL A 43 -2.133 -0.385 4.864 1.00 71.03 C ATOM 637 O VAL A 43 -1.878 -0.924 5.939 1.00 25.31 O ATOM 638 CB VAL A 43 -3.906 -1.522 3.404 1.00 0.34 C ATOM 639 CG1 VAL A 43 -3.525 -2.885 4.043 1.00 22.42 C ATOM 640 CG2 VAL A 43 -5.390 -1.536 2.973 1.00 15.21 C ATOM 0 H VAL A 43 -3.975 0.930 2.674 1.00 24.21 H new ATOM 0 HA VAL A 43 -4.272 -0.353 5.208 1.00 34.04 H new ATOM 0 HB VAL A 43 -3.284 -1.386 2.520 1.00 0.34 H new ATOM 0 HG11 VAL A 43 -3.760 -3.691 3.348 1.00 22.42 H new ATOM 0 HG12 VAL A 43 -2.458 -2.897 4.265 1.00 22.42 H new ATOM 0 HG13 VAL A 43 -4.089 -3.025 4.965 1.00 22.42 H new ATOM 0 HG21 VAL A 43 -5.571 -2.389 2.319 1.00 15.21 H new ATOM 0 HG22 VAL A 43 -6.025 -1.614 3.856 1.00 15.21 H new ATOM 0 HG23 VAL A 43 -5.623 -0.614 2.440 1.00 15.21 H new ATOM 650 N GLY A 44 -1.191 0.151 4.067 1.00 31.00 N ATOM 651 CA GLY A 44 0.218 0.281 4.483 1.00 40.50 C ATOM 652 C GLY A 44 0.421 1.243 5.668 1.00 74.24 C ATOM 653 O GLY A 44 1.322 1.050 6.496 1.00 10.14 O ATOM 0 H GLY A 44 -1.381 0.502 3.128 1.00 31.00 H new ATOM 0 HA2 GLY A 44 0.601 -0.703 4.754 1.00 40.50 H new ATOM 0 HA3 GLY A 44 0.808 0.631 3.636 1.00 40.50 H new ATOM 657 N TRP A 45 -0.437 2.279 5.747 1.00 12.40 N ATOM 658 CA TRP A 45 -0.465 3.231 6.881 1.00 72.32 C ATOM 659 C TRP A 45 -1.096 2.576 8.146 1.00 10.10 C ATOM 660 O TRP A 45 -0.762 2.930 9.279 1.00 73.23 O ATOM 661 CB TRP A 45 -1.231 4.512 6.471 1.00 0.30 C ATOM 662 CG TRP A 45 -1.141 5.645 7.475 1.00 60.22 C ATOM 663 CD1 TRP A 45 -2.077 6.006 8.404 1.00 4.41 C ATOM 664 CD2 TRP A 45 -0.042 6.555 7.648 1.00 5.02 C ATOM 665 NE1 TRP A 45 -1.641 7.091 9.117 1.00 73.10 N ATOM 666 CE2 TRP A 45 -0.396 7.449 8.675 1.00 12.20 C ATOM 667 CE3 TRP A 45 1.203 6.707 7.021 1.00 33.11 C ATOM 668 CZ2 TRP A 45 0.448 8.482 9.092 1.00 55.51 C ATOM 669 CZ3 TRP A 45 2.038 7.729 7.436 1.00 72.22 C ATOM 670 CH2 TRP A 45 1.659 8.606 8.461 1.00 62.45 C ATOM 0 H TRP A 45 -1.131 2.482 5.028 1.00 12.40 H new ATOM 0 HA TRP A 45 0.559 3.505 7.135 1.00 72.32 H new ATOM 0 HB2 TRP A 45 -0.845 4.860 5.513 1.00 0.30 H new ATOM 0 HB3 TRP A 45 -2.281 4.260 6.319 1.00 0.30 H new ATOM 0 HD1 TRP A 45 -3.023 5.508 8.554 1.00 4.41 H new ATOM 0 HE1 TRP A 45 -2.161 7.558 9.860 1.00 73.10 H new ATOM 0 HE3 TRP A 45 1.505 6.038 6.228 1.00 33.11 H new ATOM 0 HZ2 TRP A 45 0.157 9.158 9.882 1.00 55.51 H new ATOM 0 HZ3 TRP A 45 3.000 7.853 6.961 1.00 72.22 H new ATOM 0 HH2 TRP A 45 2.334 9.395 8.760 1.00 62.45 H new ATOM 681 N LEU A 46 -2.027 1.629 7.939 1.00 35.13 N ATOM 682 CA LEU A 46 -2.565 0.777 9.026 1.00 32.42 C ATOM 683 C LEU A 46 -1.516 -0.262 9.494 1.00 40.21 C ATOM 684 O LEU A 46 -1.436 -0.574 10.679 1.00 13.31 O ATOM 685 CB LEU A 46 -3.870 0.082 8.564 1.00 72.21 C ATOM 686 CG LEU A 46 -5.080 1.030 8.315 1.00 2.23 C ATOM 687 CD1 LEU A 46 -6.287 0.266 7.732 1.00 72.20 C ATOM 688 CD2 LEU A 46 -5.459 1.788 9.608 1.00 52.33 C ATOM 0 H LEU A 46 -2.428 1.430 7.023 1.00 35.13 H new ATOM 0 HA LEU A 46 -2.796 1.414 9.879 1.00 32.42 H new ATOM 0 HB2 LEU A 46 -3.664 -0.465 7.644 1.00 72.21 H new ATOM 0 HB3 LEU A 46 -4.155 -0.654 9.316 1.00 72.21 H new ATOM 0 HG LEU A 46 -4.779 1.768 7.571 1.00 2.23 H new ATOM 0 HD11 LEU A 46 -7.113 0.959 7.571 1.00 72.20 H new ATOM 0 HD12 LEU A 46 -6.005 -0.190 6.783 1.00 72.20 H new ATOM 0 HD13 LEU A 46 -6.597 -0.512 8.430 1.00 72.20 H new ATOM 0 HD21 LEU A 46 -6.307 2.444 9.410 1.00 52.33 H new ATOM 0 HD22 LEU A 46 -5.728 1.072 10.384 1.00 52.33 H new ATOM 0 HD23 LEU A 46 -4.610 2.384 9.943 1.00 52.33 H new ATOM 700 N ALA A 47 -0.734 -0.802 8.539 1.00 54.30 N ATOM 701 CA ALA A 47 0.414 -1.704 8.818 1.00 13.33 C ATOM 702 C ALA A 47 1.520 -0.989 9.639 1.00 33.13 C ATOM 703 O ALA A 47 2.247 -1.636 10.410 1.00 73.41 O ATOM 704 CB ALA A 47 0.976 -2.263 7.498 1.00 4.43 C ATOM 0 H ALA A 47 -0.877 -0.627 7.544 1.00 54.30 H new ATOM 0 HA ALA A 47 0.054 -2.534 9.426 1.00 13.33 H new ATOM 0 HB1 ALA A 47 1.817 -2.923 7.711 1.00 4.43 H new ATOM 0 HB2 ALA A 47 0.198 -2.823 6.979 1.00 4.43 H new ATOM 0 HB3 ALA A 47 1.312 -1.439 6.868 1.00 4.43 H new ATOM 710 N ARG A 48 1.639 0.349 9.448 1.00 20.32 N ATOM 711 CA ARG A 48 2.439 1.237 10.331 1.00 15.23 C ATOM 712 C ARG A 48 1.977 1.112 11.805 1.00 24.25 C ATOM 713 O ARG A 48 2.783 0.881 12.715 1.00 63.21 O ATOM 714 CB ARG A 48 2.310 2.724 9.856 1.00 75.23 C ATOM 715 CG ARG A 48 2.719 3.783 10.913 1.00 11.20 C ATOM 716 CD ARG A 48 2.655 5.238 10.414 1.00 25.53 C ATOM 717 NE ARG A 48 2.930 6.179 11.523 1.00 10.54 N ATOM 718 CZ ARG A 48 3.635 7.290 11.459 1.00 40.21 C ATOM 719 NH1 ARG A 48 4.179 7.693 10.354 1.00 24.13 N ATOM 720 NH2 ARG A 48 3.799 7.995 12.525 1.00 20.54 N ATOM 0 H ARG A 48 1.184 0.842 8.680 1.00 20.32 H new ATOM 0 HA ARG A 48 3.483 0.929 10.270 1.00 15.23 H new ATOM 0 HB2 ARG A 48 2.926 2.861 8.967 1.00 75.23 H new ATOM 0 HB3 ARG A 48 1.277 2.907 9.559 1.00 75.23 H new ATOM 0 HG2 ARG A 48 2.069 3.681 11.782 1.00 11.20 H new ATOM 0 HG3 ARG A 48 3.734 3.571 11.248 1.00 11.20 H new ATOM 0 HD2 ARG A 48 3.381 5.387 9.615 1.00 25.53 H new ATOM 0 HD3 ARG A 48 1.671 5.441 9.993 1.00 25.53 H new ATOM 0 HE ARG A 48 2.532 5.942 12.432 1.00 10.54 H new ATOM 0 HH11 ARG A 48 4.067 7.145 9.501 1.00 24.13 H new ATOM 0 HH12 ARG A 48 4.719 8.558 10.337 1.00 24.13 H new ATOM 0 HH21 ARG A 48 3.385 7.691 13.406 1.00 20.54 H new ATOM 0 HH22 ARG A 48 4.343 8.857 12.488 1.00 20.54 H new ATOM 734 N GLU A 49 0.660 1.241 12.002 1.00 75.02 N ATOM 735 CA GLU A 49 0.026 1.237 13.335 1.00 2.14 C ATOM 736 C GLU A 49 -0.257 -0.213 13.843 1.00 23.44 C ATOM 737 O GLU A 49 -0.745 -0.391 14.964 1.00 20.22 O ATOM 738 CB GLU A 49 -1.296 2.048 13.271 1.00 12.54 C ATOM 739 CG GLU A 49 -1.211 3.435 12.598 1.00 43.35 C ATOM 740 CD GLU A 49 -2.552 4.199 12.626 1.00 52.55 C ATOM 741 OE1 GLU A 49 -3.547 3.708 12.040 1.00 34.41 O ATOM 742 OE2 GLU A 49 -2.627 5.283 13.256 1.00 1.35 O ATOM 0 H GLU A 49 -0.006 1.352 11.237 1.00 75.02 H new ATOM 0 HA GLU A 49 0.715 1.698 14.043 1.00 2.14 H new ATOM 0 HB2 GLU A 49 -2.038 1.453 12.738 1.00 12.54 H new ATOM 0 HB3 GLU A 49 -1.666 2.182 14.288 1.00 12.54 H new ATOM 0 HG2 GLU A 49 -0.449 4.031 13.100 1.00 43.35 H new ATOM 0 HG3 GLU A 49 -0.890 3.312 11.564 1.00 43.35 H new ATOM 749 N ASN A 50 0.045 -1.230 12.987 1.00 1.04 N ATOM 750 CA ASN A 50 -0.231 -2.679 13.236 1.00 11.42 C ATOM 751 C ASN A 50 -1.752 -2.987 13.381 1.00 73.32 C ATOM 752 O ASN A 50 -2.132 -4.021 13.918 1.00 52.51 O ATOM 753 CB ASN A 50 0.564 -3.203 14.466 1.00 22.00 C ATOM 754 CG ASN A 50 2.074 -3.167 14.249 1.00 3.23 C ATOM 755 OD1 ASN A 50 2.663 -4.123 13.762 1.00 14.51 O ATOM 756 ND2 ASN A 50 2.710 -2.066 14.588 1.00 42.34 N ATOM 0 H ASN A 50 0.496 -1.065 12.087 1.00 1.04 H new ATOM 0 HA ASN A 50 0.115 -3.214 12.352 1.00 11.42 H new ATOM 0 HB2 ASN A 50 0.312 -2.602 15.340 1.00 22.00 H new ATOM 0 HB3 ASN A 50 0.256 -4.226 14.684 1.00 22.00 H new ATOM 0 HD21 ASN A 50 3.718 -1.995 14.447 1.00 42.34 H new ATOM 0 HD22 ASN A 50 2.195 -1.284 14.992 1.00 42.34 H new ATOM 763 N LYS A 51 -2.596 -2.098 12.830 1.00 23.33 N ATOM 764 CA LYS A 51 -4.080 -2.212 12.867 1.00 64.30 C ATOM 765 C LYS A 51 -4.604 -3.375 11.988 1.00 53.31 C ATOM 766 O LYS A 51 -5.695 -3.912 12.233 1.00 22.41 O ATOM 767 CB LYS A 51 -4.685 -0.865 12.391 1.00 40.32 C ATOM 768 CG LYS A 51 -4.300 0.349 13.270 1.00 32.32 C ATOM 769 CD LYS A 51 -5.254 0.599 14.461 1.00 25.24 C ATOM 770 CE LYS A 51 -6.532 1.341 14.038 1.00 10.12 C ATOM 771 NZ LYS A 51 -6.211 2.675 13.458 1.00 14.14 N ATOM 0 H LYS A 51 -2.271 -1.266 12.338 1.00 23.33 H new ATOM 0 HA LYS A 51 -4.385 -2.433 13.890 1.00 64.30 H new ATOM 0 HB2 LYS A 51 -4.361 -0.676 11.368 1.00 40.32 H new ATOM 0 HB3 LYS A 51 -5.771 -0.954 12.370 1.00 40.32 H new ATOM 0 HG2 LYS A 51 -3.290 0.200 13.653 1.00 32.32 H new ATOM 0 HG3 LYS A 51 -4.275 1.242 12.645 1.00 32.32 H new ATOM 0 HD2 LYS A 51 -5.523 -0.355 14.914 1.00 25.24 H new ATOM 0 HD3 LYS A 51 -4.735 1.179 15.224 1.00 25.24 H new ATOM 0 HE2 LYS A 51 -7.077 0.745 13.306 1.00 10.12 H new ATOM 0 HE3 LYS A 51 -7.187 1.464 14.900 1.00 10.12 H new ATOM 0 HZ1 LYS A 51 -7.045 3.293 13.526 1.00 14.14 H new ATOM 0 HZ2 LYS A 51 -5.421 3.101 13.983 1.00 14.14 H new ATOM 0 HZ3 LYS A 51 -5.942 2.564 12.459 1.00 14.14 H new ATOM 785 N VAL A 52 -3.812 -3.756 10.969 1.00 32.21 N ATOM 786 CA VAL A 52 -4.164 -4.830 10.015 1.00 63.44 C ATOM 787 C VAL A 52 -3.017 -5.859 9.899 1.00 31.13 C ATOM 788 O VAL A 52 -1.840 -5.524 10.094 1.00 24.41 O ATOM 789 CB VAL A 52 -4.518 -4.264 8.585 1.00 22.42 C ATOM 790 CG1 VAL A 52 -5.786 -3.374 8.626 1.00 41.51 C ATOM 791 CG2 VAL A 52 -3.321 -3.505 7.955 1.00 22.53 C ATOM 0 H VAL A 52 -2.906 -3.327 10.781 1.00 32.21 H new ATOM 0 HA VAL A 52 -5.053 -5.322 10.410 1.00 63.44 H new ATOM 0 HB VAL A 52 -4.734 -5.120 7.946 1.00 22.42 H new ATOM 0 HG11 VAL A 52 -6.001 -3.001 7.625 1.00 41.51 H new ATOM 0 HG12 VAL A 52 -6.632 -3.962 8.984 1.00 41.51 H new ATOM 0 HG13 VAL A 52 -5.618 -2.533 9.298 1.00 41.51 H new ATOM 0 HG21 VAL A 52 -3.605 -3.131 6.971 1.00 22.53 H new ATOM 0 HG22 VAL A 52 -3.043 -2.668 8.595 1.00 22.53 H new ATOM 0 HG23 VAL A 52 -2.473 -4.182 7.855 1.00 22.53 H new ATOM 801 N VAL A 53 -3.379 -7.116 9.590 1.00 24.04 N ATOM 802 CA VAL A 53 -2.420 -8.223 9.406 1.00 4.21 C ATOM 803 C VAL A 53 -2.483 -8.750 7.952 1.00 64.33 C ATOM 804 O VAL A 53 -3.483 -9.348 7.541 1.00 71.34 O ATOM 805 CB VAL A 53 -2.700 -9.408 10.408 1.00 74.53 C ATOM 806 CG1 VAL A 53 -1.629 -10.518 10.267 1.00 23.34 C ATOM 807 CG2 VAL A 53 -2.791 -8.907 11.872 1.00 1.45 C ATOM 0 H VAL A 53 -4.351 -7.396 9.460 1.00 24.04 H new ATOM 0 HA VAL A 53 -1.424 -7.831 9.612 1.00 4.21 H new ATOM 0 HB VAL A 53 -3.668 -9.836 10.147 1.00 74.53 H new ATOM 0 HG11 VAL A 53 -1.845 -11.323 10.969 1.00 23.34 H new ATOM 0 HG12 VAL A 53 -1.643 -10.910 9.250 1.00 23.34 H new ATOM 0 HG13 VAL A 53 -0.644 -10.103 10.483 1.00 23.34 H new ATOM 0 HG21 VAL A 53 -2.985 -9.751 12.534 1.00 1.45 H new ATOM 0 HG22 VAL A 53 -1.851 -8.433 12.154 1.00 1.45 H new ATOM 0 HG23 VAL A 53 -3.602 -8.184 11.959 1.00 1.45 H new ATOM 817 N ILE A 54 -1.405 -8.516 7.181 1.00 52.11 N ATOM 818 CA ILE A 54 -1.296 -8.980 5.781 1.00 71.31 C ATOM 819 C ILE A 54 -0.736 -10.430 5.760 1.00 44.41 C ATOM 820 O ILE A 54 0.441 -10.661 6.076 1.00 45.11 O ATOM 821 CB ILE A 54 -0.399 -8.009 4.896 1.00 33.21 C ATOM 822 CG1 ILE A 54 -1.024 -6.564 4.780 1.00 72.22 C ATOM 823 CG2 ILE A 54 -0.153 -8.604 3.483 1.00 31.02 C ATOM 824 CD1 ILE A 54 -0.918 -5.691 6.024 1.00 63.43 C ATOM 0 H ILE A 54 -0.587 -8.002 7.507 1.00 52.11 H new ATOM 0 HA ILE A 54 -2.293 -8.970 5.339 1.00 71.31 H new ATOM 0 HB ILE A 54 0.559 -7.915 5.407 1.00 33.21 H new ATOM 0 HG12 ILE A 54 -0.539 -6.045 3.953 1.00 72.22 H new ATOM 0 HG13 ILE A 54 -2.078 -6.665 4.519 1.00 72.22 H new ATOM 0 HG21 ILE A 54 0.463 -7.918 2.902 1.00 31.02 H new ATOM 0 HG22 ILE A 54 0.359 -9.562 3.576 1.00 31.02 H new ATOM 0 HG23 ILE A 54 -1.108 -8.751 2.979 1.00 31.02 H new ATOM 0 HD11 ILE A 54 -1.380 -4.723 5.830 1.00 63.43 H new ATOM 0 HD12 ILE A 54 -1.430 -6.177 6.854 1.00 63.43 H new ATOM 0 HD13 ILE A 54 0.132 -5.548 6.279 1.00 63.43 H new ATOM 836 N GLU A 55 -1.608 -11.410 5.433 1.00 12.43 N ATOM 837 CA GLU A 55 -1.243 -12.849 5.379 1.00 65.12 C ATOM 838 C GLU A 55 -1.440 -13.403 3.943 1.00 20.10 C ATOM 839 O GLU A 55 -2.552 -13.382 3.403 1.00 50.31 O ATOM 840 CB GLU A 55 -2.071 -13.657 6.429 1.00 55.41 C ATOM 841 CG GLU A 55 -1.822 -13.207 7.886 1.00 1.24 C ATOM 842 CD GLU A 55 -2.608 -14.002 8.951 1.00 30.33 C ATOM 843 OE1 GLU A 55 -3.851 -13.950 8.945 1.00 1.55 O ATOM 844 OE2 GLU A 55 -1.986 -14.661 9.821 1.00 13.32 O ATOM 0 H GLU A 55 -2.584 -11.229 5.199 1.00 12.43 H new ATOM 0 HA GLU A 55 -0.189 -12.959 5.632 1.00 65.12 H new ATOM 0 HB2 GLU A 55 -3.132 -13.554 6.201 1.00 55.41 H new ATOM 0 HB3 GLU A 55 -1.827 -14.715 6.337 1.00 55.41 H new ATOM 0 HG2 GLU A 55 -0.757 -13.293 8.101 1.00 1.24 H new ATOM 0 HG3 GLU A 55 -2.081 -12.152 7.975 1.00 1.24 H new ATOM 851 N ARG A 56 -0.328 -13.865 3.324 1.00 35.00 N ATOM 852 CA ARG A 56 -0.313 -14.430 1.957 1.00 61.31 C ATOM 853 C ARG A 56 -0.672 -15.932 2.000 1.00 35.34 C ATOM 854 O ARG A 56 0.163 -16.782 2.339 1.00 4.42 O ATOM 855 CB ARG A 56 1.080 -14.219 1.303 1.00 61.12 C ATOM 856 CG ARG A 56 1.528 -12.742 1.231 1.00 34.41 C ATOM 857 CD ARG A 56 2.942 -12.575 0.640 1.00 72.54 C ATOM 858 NE ARG A 56 3.419 -11.179 0.719 1.00 52.41 N ATOM 859 CZ ARG A 56 3.781 -10.419 -0.286 1.00 55.31 C ATOM 860 NH1 ARG A 56 3.654 -10.819 -1.516 1.00 21.11 N ATOM 861 NH2 ARG A 56 4.254 -9.241 -0.041 1.00 43.30 N ATOM 0 H ARG A 56 0.592 -13.855 3.765 1.00 35.00 H new ATOM 0 HA ARG A 56 -1.058 -13.913 1.353 1.00 61.31 H new ATOM 0 HB2 ARG A 56 1.823 -14.785 1.865 1.00 61.12 H new ATOM 0 HB3 ARG A 56 1.062 -14.631 0.294 1.00 61.12 H new ATOM 0 HG2 ARG A 56 0.817 -12.181 0.625 1.00 34.41 H new ATOM 0 HG3 ARG A 56 1.504 -12.311 2.232 1.00 34.41 H new ATOM 0 HD2 ARG A 56 3.636 -13.225 1.173 1.00 72.54 H new ATOM 0 HD3 ARG A 56 2.939 -12.898 -0.401 1.00 72.54 H new ATOM 0 HE ARG A 56 3.472 -10.765 1.650 1.00 52.41 H new ATOM 0 HH11 ARG A 56 3.266 -11.741 -1.715 1.00 21.11 H new ATOM 0 HH12 ARG A 56 3.942 -10.211 -2.282 1.00 21.11 H new ATOM 0 HH21 ARG A 56 4.341 -8.916 0.922 1.00 43.30 H new ATOM 0 HH22 ARG A 56 4.541 -8.636 -0.811 1.00 43.30 H new ATOM 875 N LYS A 57 -1.929 -16.234 1.664 1.00 41.53 N ATOM 876 CA LYS A 57 -2.513 -17.588 1.773 1.00 62.52 C ATOM 877 C LYS A 57 -2.852 -18.127 0.370 1.00 33.22 C ATOM 878 O LYS A 57 -3.798 -17.651 -0.256 1.00 13.41 O ATOM 879 CB LYS A 57 -3.778 -17.513 2.671 1.00 61.23 C ATOM 880 CG LYS A 57 -3.516 -16.915 4.078 1.00 3.10 C ATOM 881 CD LYS A 57 -4.811 -16.674 4.886 1.00 54.32 C ATOM 882 CE LYS A 57 -5.574 -17.970 5.212 1.00 4.24 C ATOM 883 NZ LYS A 57 -4.755 -18.906 6.021 1.00 22.43 N ATOM 0 H LYS A 57 -2.584 -15.541 1.303 1.00 41.53 H new ATOM 0 HA LYS A 57 -1.798 -18.274 2.227 1.00 62.52 H new ATOM 0 HB2 LYS A 57 -4.534 -16.912 2.167 1.00 61.23 H new ATOM 0 HB3 LYS A 57 -4.191 -18.515 2.784 1.00 61.23 H new ATOM 0 HG2 LYS A 57 -2.866 -17.588 4.637 1.00 3.10 H new ATOM 0 HG3 LYS A 57 -2.981 -15.971 3.971 1.00 3.10 H new ATOM 0 HD2 LYS A 57 -4.561 -16.164 5.816 1.00 54.32 H new ATOM 0 HD3 LYS A 57 -5.464 -16.008 4.322 1.00 54.32 H new ATOM 0 HE2 LYS A 57 -6.488 -17.727 5.753 1.00 4.24 H new ATOM 0 HE3 LYS A 57 -5.873 -18.458 4.284 1.00 4.24 H new ATOM 0 HZ1 LYS A 57 -5.346 -19.703 6.333 1.00 22.43 H new ATOM 0 HZ2 LYS A 57 -3.967 -19.264 5.445 1.00 22.43 H new ATOM 0 HZ3 LYS A 57 -4.378 -18.408 6.852 1.00 22.43 H new ATOM 897 N ASN A 58 -2.081 -19.134 -0.108 1.00 32.53 N ATOM 898 CA ASN A 58 -2.123 -19.626 -1.517 1.00 60.34 C ATOM 899 C ASN A 58 -1.823 -18.488 -2.537 1.00 3.04 C ATOM 900 O ASN A 58 -2.317 -18.489 -3.672 1.00 21.10 O ATOM 901 CB ASN A 58 -3.483 -20.319 -1.814 1.00 40.34 C ATOM 902 CG ASN A 58 -3.758 -21.492 -0.871 1.00 64.12 C ATOM 903 OD1 ASN A 58 -3.390 -22.628 -1.148 1.00 73.04 O ATOM 904 ND2 ASN A 58 -4.394 -21.221 0.256 1.00 34.23 N ATOM 0 H ASN A 58 -1.407 -19.634 0.472 1.00 32.53 H new ATOM 0 HA ASN A 58 -1.333 -20.368 -1.635 1.00 60.34 H new ATOM 0 HB2 ASN A 58 -4.287 -19.588 -1.725 1.00 40.34 H new ATOM 0 HB3 ASN A 58 -3.489 -20.675 -2.844 1.00 40.34 H new ATOM 0 HD21 ASN A 58 -4.591 -21.967 0.923 1.00 34.23 H new ATOM 0 HD22 ASN A 58 -4.688 -20.266 0.459 1.00 34.23 H new ATOM 911 N GLY A 59 -0.962 -17.543 -2.116 1.00 30.03 N ATOM 912 CA GLY A 59 -0.640 -16.345 -2.912 1.00 32.12 C ATOM 913 C GLY A 59 -1.639 -15.187 -2.746 1.00 22.01 C ATOM 914 O GLY A 59 -1.381 -14.072 -3.217 1.00 50.11 O ATOM 0 H GLY A 59 -0.474 -17.588 -1.222 1.00 30.03 H new ATOM 0 HA2 GLY A 59 0.354 -15.995 -2.634 1.00 32.12 H new ATOM 0 HA3 GLY A 59 -0.596 -16.624 -3.965 1.00 32.12 H new ATOM 918 N LEU A 60 -2.780 -15.447 -2.080 1.00 1.21 N ATOM 919 CA LEU A 60 -3.839 -14.441 -1.868 1.00 43.51 C ATOM 920 C LEU A 60 -3.459 -13.515 -0.698 1.00 24.22 C ATOM 921 O LEU A 60 -3.452 -13.942 0.461 1.00 34.20 O ATOM 922 CB LEU A 60 -5.203 -15.131 -1.582 1.00 34.32 C ATOM 923 CG LEU A 60 -5.720 -16.118 -2.677 1.00 42.10 C ATOM 924 CD1 LEU A 60 -7.045 -16.787 -2.246 1.00 35.34 C ATOM 925 CD2 LEU A 60 -5.862 -15.421 -4.050 1.00 4.51 C ATOM 0 H LEU A 60 -2.994 -16.358 -1.674 1.00 1.21 H new ATOM 0 HA LEU A 60 -3.938 -13.846 -2.776 1.00 43.51 H new ATOM 0 HB2 LEU A 60 -5.121 -15.675 -0.641 1.00 34.32 H new ATOM 0 HB3 LEU A 60 -5.955 -14.356 -1.437 1.00 34.32 H new ATOM 0 HG LEU A 60 -4.973 -16.904 -2.788 1.00 42.10 H new ATOM 0 HD11 LEU A 60 -7.380 -17.468 -3.028 1.00 35.34 H new ATOM 0 HD12 LEU A 60 -6.888 -17.344 -1.322 1.00 35.34 H new ATOM 0 HD13 LEU A 60 -7.803 -16.021 -2.083 1.00 35.34 H new ATOM 0 HD21 LEU A 60 -6.224 -16.138 -4.787 1.00 4.51 H new ATOM 0 HD22 LEU A 60 -6.570 -14.597 -3.968 1.00 4.51 H new ATOM 0 HD23 LEU A 60 -4.892 -15.036 -4.365 1.00 4.51 H new ATOM 937 N ILE A 61 -3.095 -12.267 -1.015 1.00 60.24 N ATOM 938 CA ILE A 61 -2.849 -11.230 -0.003 1.00 53.34 C ATOM 939 C ILE A 61 -4.191 -10.828 0.655 1.00 32.21 C ATOM 940 O ILE A 61 -5.009 -10.113 0.063 1.00 12.24 O ATOM 941 CB ILE A 61 -2.114 -9.993 -0.651 1.00 35.21 C ATOM 942 CG1 ILE A 61 -0.719 -10.446 -1.197 1.00 24.31 C ATOM 943 CG2 ILE A 61 -1.987 -8.801 0.331 1.00 75.21 C ATOM 944 CD1 ILE A 61 0.090 -9.369 -1.903 1.00 25.10 C ATOM 0 H ILE A 61 -2.963 -11.947 -1.975 1.00 60.24 H new ATOM 0 HA ILE A 61 -2.193 -11.620 0.775 1.00 53.34 H new ATOM 0 HB ILE A 61 -2.720 -9.630 -1.481 1.00 35.21 H new ATOM 0 HG12 ILE A 61 -0.130 -10.831 -0.364 1.00 24.31 H new ATOM 0 HG13 ILE A 61 -0.871 -11.274 -1.889 1.00 24.31 H new ATOM 0 HG21 ILE A 61 -1.474 -7.976 -0.163 1.00 75.21 H new ATOM 0 HG22 ILE A 61 -2.981 -8.477 0.641 1.00 75.21 H new ATOM 0 HG23 ILE A 61 -1.417 -9.110 1.207 1.00 75.21 H new ATOM 0 HD11 ILE A 61 1.037 -9.789 -2.241 1.00 25.10 H new ATOM 0 HD12 ILE A 61 -0.470 -8.998 -2.762 1.00 25.10 H new ATOM 0 HD13 ILE A 61 0.283 -8.548 -1.213 1.00 25.10 H new ATOM 956 N GLU A 62 -4.409 -11.342 1.873 1.00 33.21 N ATOM 957 CA GLU A 62 -5.660 -11.161 2.630 1.00 64.40 C ATOM 958 C GLU A 62 -5.411 -10.243 3.838 1.00 44.02 C ATOM 959 O GLU A 62 -4.524 -10.503 4.663 1.00 3.11 O ATOM 960 CB GLU A 62 -6.207 -12.543 3.082 1.00 11.25 C ATOM 961 CG GLU A 62 -6.731 -13.436 1.934 1.00 71.43 C ATOM 962 CD GLU A 62 -8.028 -12.899 1.291 1.00 20.25 C ATOM 963 OE1 GLU A 62 -9.111 -13.095 1.890 1.00 23.43 O ATOM 964 OE2 GLU A 62 -7.977 -12.284 0.192 1.00 65.03 O ATOM 0 H GLU A 62 -3.715 -11.902 2.368 1.00 33.21 H new ATOM 0 HA GLU A 62 -6.407 -10.690 1.992 1.00 64.40 H new ATOM 0 HB2 GLU A 62 -5.416 -13.077 3.608 1.00 11.25 H new ATOM 0 HB3 GLU A 62 -7.014 -12.383 3.797 1.00 11.25 H new ATOM 0 HG2 GLU A 62 -5.961 -13.521 1.167 1.00 71.43 H new ATOM 0 HG3 GLU A 62 -6.911 -14.440 2.317 1.00 71.43 H new ATOM 971 N ILE A 63 -6.186 -9.154 3.921 1.00 14.43 N ATOM 972 CA ILE A 63 -6.051 -8.148 4.985 1.00 1.20 C ATOM 973 C ILE A 63 -6.993 -8.530 6.146 1.00 74.03 C ATOM 974 O ILE A 63 -8.219 -8.395 6.052 1.00 62.53 O ATOM 975 CB ILE A 63 -6.353 -6.676 4.457 1.00 10.41 C ATOM 976 CG1 ILE A 63 -5.298 -6.203 3.390 1.00 51.23 C ATOM 977 CG2 ILE A 63 -6.427 -5.652 5.620 1.00 53.14 C ATOM 978 CD1 ILE A 63 -5.319 -6.935 2.059 1.00 63.20 C ATOM 0 H ILE A 63 -6.926 -8.944 3.251 1.00 14.43 H new ATOM 0 HA ILE A 63 -5.019 -8.139 5.335 1.00 1.20 H new ATOM 0 HB ILE A 63 -7.329 -6.720 3.973 1.00 10.41 H new ATOM 0 HG12 ILE A 63 -5.455 -5.141 3.200 1.00 51.23 H new ATOM 0 HG13 ILE A 63 -4.303 -6.306 3.823 1.00 51.23 H new ATOM 0 HG21 ILE A 63 -6.635 -4.660 5.219 1.00 53.14 H new ATOM 0 HG22 ILE A 63 -7.223 -5.939 6.307 1.00 53.14 H new ATOM 0 HG23 ILE A 63 -5.476 -5.636 6.152 1.00 53.14 H new ATOM 0 HD11 ILE A 63 -4.550 -6.524 1.405 1.00 63.20 H new ATOM 0 HD12 ILE A 63 -5.126 -7.995 2.224 1.00 63.20 H new ATOM 0 HD13 ILE A 63 -6.296 -6.812 1.592 1.00 63.20 H new ATOM 990 N TYR A 64 -6.395 -9.082 7.206 1.00 32.44 N ATOM 991 CA TYR A 64 -7.082 -9.391 8.475 1.00 22.33 C ATOM 992 C TYR A 64 -6.971 -8.211 9.464 1.00 52.34 C ATOM 993 O TYR A 64 -6.331 -7.198 9.177 1.00 23.23 O ATOM 994 CB TYR A 64 -6.478 -10.676 9.095 1.00 64.03 C ATOM 995 CG TYR A 64 -6.759 -11.957 8.296 1.00 11.30 C ATOM 996 CD1 TYR A 64 -5.989 -12.306 7.186 1.00 20.14 C ATOM 997 CD2 TYR A 64 -7.799 -12.819 8.658 1.00 64.33 C ATOM 998 CE1 TYR A 64 -6.243 -13.463 6.477 1.00 41.13 C ATOM 999 CE2 TYR A 64 -8.053 -13.974 7.950 1.00 61.20 C ATOM 1000 CZ TYR A 64 -7.278 -14.291 6.862 1.00 34.21 C ATOM 1001 OH TYR A 64 -7.543 -15.440 6.155 1.00 74.03 O ATOM 0 H TYR A 64 -5.406 -9.332 7.212 1.00 32.44 H new ATOM 0 HA TYR A 64 -8.140 -9.556 8.269 1.00 22.33 H new ATOM 0 HB2 TYR A 64 -5.399 -10.548 9.187 1.00 64.03 H new ATOM 0 HB3 TYR A 64 -6.872 -10.798 10.104 1.00 64.03 H new ATOM 0 HD1 TYR A 64 -5.181 -11.660 6.876 1.00 20.14 H new ATOM 0 HD2 TYR A 64 -8.416 -12.575 9.510 1.00 64.33 H new ATOM 0 HE1 TYR A 64 -5.633 -13.720 5.623 1.00 41.13 H new ATOM 0 HE2 TYR A 64 -8.859 -14.627 8.250 1.00 61.20 H new ATOM 0 HH TYR A 64 -8.303 -15.906 6.562 1.00 74.03 H new ATOM 1011 N ASN A 65 -7.635 -8.347 10.619 1.00 4.33 N ATOM 1012 CA ASN A 65 -7.547 -7.366 11.720 1.00 74.35 C ATOM 1013 C ASN A 65 -6.409 -7.744 12.692 1.00 52.10 C ATOM 1014 O ASN A 65 -5.965 -8.903 12.716 1.00 43.24 O ATOM 1015 CB ASN A 65 -8.905 -7.303 12.466 1.00 43.11 C ATOM 1016 CG ASN A 65 -9.056 -6.122 13.438 1.00 5.22 C ATOM 1017 OD1 ASN A 65 -9.724 -6.230 14.463 1.00 52.03 O ATOM 1018 ND2 ASN A 65 -8.473 -4.977 13.116 1.00 51.34 N ATOM 0 H ASN A 65 -8.248 -9.137 10.821 1.00 4.33 H new ATOM 0 HA ASN A 65 -7.323 -6.383 11.306 1.00 74.35 H new ATOM 0 HB2 ASN A 65 -9.706 -7.252 11.728 1.00 43.11 H new ATOM 0 HB3 ASN A 65 -9.041 -8.231 13.021 1.00 43.11 H new ATOM 0 HD21 ASN A 65 -8.575 -4.164 13.724 1.00 51.34 H new ATOM 0 HD22 ASN A 65 -7.922 -4.908 12.260 1.00 51.34 H new ATOM 1025 N GLU A 66 -5.928 -6.748 13.466 1.00 12.40 N ATOM 1026 CA GLU A 66 -4.968 -6.964 14.576 1.00 34.31 C ATOM 1027 C GLU A 66 -5.483 -8.082 15.528 1.00 0.32 C ATOM 1028 O GLU A 66 -6.563 -7.964 16.116 1.00 50.10 O ATOM 1029 CB GLU A 66 -4.739 -5.621 15.335 1.00 33.11 C ATOM 1030 CG GLU A 66 -3.528 -5.575 16.313 1.00 44.43 C ATOM 1031 CD GLU A 66 -3.756 -6.273 17.666 1.00 73.01 C ATOM 1032 OE1 GLU A 66 -4.488 -5.711 18.511 1.00 52.31 O ATOM 1033 OE2 GLU A 66 -3.213 -7.379 17.891 1.00 74.42 O ATOM 0 H GLU A 66 -6.193 -5.771 13.341 1.00 12.40 H new ATOM 0 HA GLU A 66 -4.011 -7.296 14.173 1.00 34.31 H new ATOM 0 HB2 GLU A 66 -4.612 -4.829 14.597 1.00 33.11 H new ATOM 0 HB3 GLU A 66 -5.642 -5.389 15.899 1.00 33.11 H new ATOM 0 HG2 GLU A 66 -2.669 -6.034 15.825 1.00 44.43 H new ATOM 0 HG3 GLU A 66 -3.270 -4.532 16.498 1.00 44.43 H new ATOM 1327 N LYS B 3 4.986 -8.578 8.399 1.00 30.20 N ATOM 1328 CA LYS B 3 5.607 -7.623 9.367 1.00 72.35 C ATOM 1329 C LYS B 3 7.144 -7.442 9.148 1.00 75.04 C ATOM 1330 O LYS B 3 7.665 -6.326 9.248 1.00 75.53 O ATOM 1331 CB LYS B 3 5.332 -8.102 10.817 1.00 11.22 C ATOM 1332 CG LYS B 3 5.862 -7.193 11.970 1.00 42.33 C ATOM 1333 CD LYS B 3 4.987 -5.933 12.265 1.00 3.33 C ATOM 1334 CE LYS B 3 5.092 -4.793 11.222 1.00 53.11 C ATOM 1335 NZ LYS B 3 4.378 -3.572 11.664 1.00 3.13 N ATOM 0 HA LYS B 3 5.149 -6.649 9.195 1.00 72.35 H new ATOM 0 HB2 LYS B 3 4.255 -8.213 10.940 1.00 11.22 H new ATOM 0 HB3 LYS B 3 5.770 -9.093 10.937 1.00 11.22 H new ATOM 0 HG2 LYS B 3 5.934 -7.789 12.880 1.00 42.33 H new ATOM 0 HG3 LYS B 3 6.872 -6.867 11.722 1.00 42.33 H new ATOM 0 HD2 LYS B 3 3.945 -6.244 12.335 1.00 3.33 H new ATOM 0 HD3 LYS B 3 5.268 -5.537 13.241 1.00 3.33 H new ATOM 0 HE2 LYS B 3 6.142 -4.557 11.047 1.00 53.11 H new ATOM 0 HE3 LYS B 3 4.679 -5.131 10.272 1.00 53.11 H new ATOM 0 HZ1 LYS B 3 3.765 -3.231 10.896 1.00 3.13 H new ATOM 0 HZ2 LYS B 3 3.798 -3.792 12.499 1.00 3.13 H new ATOM 0 HZ3 LYS B 3 5.070 -2.834 11.908 1.00 3.13 H new ATOM 1349 N LYS B 4 7.846 -8.553 8.859 1.00 54.44 N ATOM 1350 CA LYS B 4 9.297 -8.539 8.531 1.00 65.42 C ATOM 1351 C LYS B 4 9.556 -8.427 7.004 1.00 74.11 C ATOM 1352 O LYS B 4 10.529 -7.788 6.579 1.00 33.25 O ATOM 1353 CB LYS B 4 9.984 -9.810 9.105 1.00 51.22 C ATOM 1354 CG LYS B 4 9.989 -9.895 10.656 1.00 30.32 C ATOM 1355 CD LYS B 4 10.768 -8.727 11.324 1.00 74.43 C ATOM 1356 CE LYS B 4 12.271 -8.717 10.960 1.00 32.11 C ATOM 1357 NZ LYS B 4 12.984 -7.534 11.508 1.00 43.31 N ATOM 0 H LYS B 4 7.432 -9.485 8.844 1.00 54.44 H new ATOM 0 HA LYS B 4 9.728 -7.651 8.994 1.00 65.42 H new ATOM 0 HB2 LYS B 4 9.480 -10.691 8.707 1.00 51.22 H new ATOM 0 HB3 LYS B 4 11.014 -9.843 8.749 1.00 51.22 H new ATOM 0 HG2 LYS B 4 8.961 -9.893 11.018 1.00 30.32 H new ATOM 0 HG3 LYS B 4 10.433 -10.843 10.961 1.00 30.32 H new ATOM 0 HD2 LYS B 4 10.321 -7.780 11.023 1.00 74.43 H new ATOM 0 HD3 LYS B 4 10.662 -8.799 12.406 1.00 74.43 H new ATOM 0 HE2 LYS B 4 12.739 -9.626 11.338 1.00 32.11 H new ATOM 0 HE3 LYS B 4 12.378 -8.731 9.875 1.00 32.11 H new ATOM 0 HZ1 LYS B 4 13.987 -7.576 11.235 1.00 43.31 H new ATOM 0 HZ2 LYS B 4 12.558 -6.665 11.128 1.00 43.31 H new ATOM 0 HZ3 LYS B 4 12.907 -7.532 12.545 1.00 43.31 H new ATOM 1371 N ILE B 5 8.677 -9.055 6.195 1.00 15.31 N ATOM 1372 CA ILE B 5 8.821 -9.115 4.712 1.00 22.11 C ATOM 1373 C ILE B 5 8.791 -7.701 4.071 1.00 33.33 C ATOM 1374 O ILE B 5 9.587 -7.404 3.174 1.00 31.32 O ATOM 1375 CB ILE B 5 7.699 -10.020 4.070 1.00 14.21 C ATOM 1376 CG1 ILE B 5 7.701 -11.445 4.719 1.00 34.23 C ATOM 1377 CG2 ILE B 5 7.843 -10.114 2.524 1.00 12.31 C ATOM 1378 CD1 ILE B 5 6.610 -12.382 4.211 1.00 62.51 C ATOM 0 H ILE B 5 7.847 -9.536 6.543 1.00 15.31 H new ATOM 0 HA ILE B 5 9.795 -9.559 4.506 1.00 22.11 H new ATOM 0 HB ILE B 5 6.739 -9.547 4.276 1.00 14.21 H new ATOM 0 HG12 ILE B 5 8.671 -11.909 4.540 1.00 34.23 H new ATOM 0 HG13 ILE B 5 7.594 -11.337 5.798 1.00 34.23 H new ATOM 0 HG21 ILE B 5 7.051 -10.746 2.123 1.00 12.31 H new ATOM 0 HG22 ILE B 5 7.766 -9.117 2.090 1.00 12.31 H new ATOM 0 HG23 ILE B 5 8.813 -10.545 2.274 1.00 12.31 H new ATOM 0 HD11 ILE B 5 6.691 -13.344 4.718 1.00 62.51 H new ATOM 0 HD12 ILE B 5 5.632 -11.946 4.415 1.00 62.51 H new ATOM 0 HD13 ILE B 5 6.726 -12.527 3.137 1.00 62.51 H new ATOM 1390 N VAL B 6 7.895 -6.833 4.579 1.00 72.01 N ATOM 1391 CA VAL B 6 7.741 -5.434 4.110 1.00 24.25 C ATOM 1392 C VAL B 6 9.034 -4.602 4.321 1.00 71.24 C ATOM 1393 O VAL B 6 9.313 -3.690 3.549 1.00 55.11 O ATOM 1394 CB VAL B 6 6.522 -4.716 4.806 1.00 15.52 C ATOM 1395 CG1 VAL B 6 5.185 -5.378 4.417 1.00 74.30 C ATOM 1396 CG2 VAL B 6 6.694 -4.689 6.342 1.00 71.32 C ATOM 0 H VAL B 6 7.252 -7.080 5.331 1.00 72.01 H new ATOM 0 HA VAL B 6 7.545 -5.492 3.039 1.00 24.25 H new ATOM 0 HB VAL B 6 6.502 -3.686 4.450 1.00 15.52 H new ATOM 0 HG11 VAL B 6 4.364 -4.860 4.913 1.00 74.30 H new ATOM 0 HG12 VAL B 6 5.051 -5.320 3.337 1.00 74.30 H new ATOM 0 HG13 VAL B 6 5.193 -6.423 4.725 1.00 74.30 H new ATOM 0 HG21 VAL B 6 5.839 -4.188 6.795 1.00 71.32 H new ATOM 0 HG22 VAL B 6 6.758 -5.710 6.719 1.00 71.32 H new ATOM 0 HG23 VAL B 6 7.607 -4.150 6.596 1.00 71.32 H new ATOM 1406 N GLY B 7 9.816 -4.942 5.366 1.00 24.11 N ATOM 1407 CA GLY B 7 11.113 -4.301 5.611 1.00 14.21 C ATOM 1408 C GLY B 7 12.149 -4.606 4.522 1.00 12.14 C ATOM 1409 O GLY B 7 12.922 -3.728 4.121 1.00 3.42 O ATOM 0 H GLY B 7 9.567 -5.657 6.050 1.00 24.11 H new ATOM 0 HA2 GLY B 7 10.972 -3.222 5.678 1.00 14.21 H new ATOM 0 HA3 GLY B 7 11.499 -4.632 6.575 1.00 14.21 H new ATOM 1413 N ALA B 8 12.153 -5.864 4.048 1.00 32.35 N ATOM 1414 CA ALA B 8 13.080 -6.339 2.996 1.00 42.14 C ATOM 1415 C ALA B 8 12.702 -5.806 1.585 1.00 63.45 C ATOM 1416 O ALA B 8 13.538 -5.202 0.897 1.00 1.55 O ATOM 1417 CB ALA B 8 13.122 -7.878 3.008 1.00 72.12 C ATOM 0 H ALA B 8 11.513 -6.585 4.382 1.00 32.35 H new ATOM 0 HA ALA B 8 14.071 -5.944 3.218 1.00 42.14 H new ATOM 0 HB1 ALA B 8 13.804 -8.229 2.234 1.00 72.12 H new ATOM 0 HB2 ALA B 8 13.468 -8.225 3.982 1.00 72.12 H new ATOM 0 HB3 ALA B 8 12.123 -8.271 2.817 1.00 72.12 H new ATOM 1423 N ASN B 9 11.433 -6.014 1.173 1.00 51.41 N ATOM 1424 CA ASN B 9 10.969 -5.702 -0.207 1.00 65.22 C ATOM 1425 C ASN B 9 10.889 -4.174 -0.497 1.00 24.12 C ATOM 1426 O ASN B 9 11.121 -3.740 -1.632 1.00 51.20 O ATOM 1427 CB ASN B 9 9.614 -6.421 -0.506 1.00 40.32 C ATOM 1428 CG ASN B 9 8.464 -6.092 0.463 1.00 13.14 C ATOM 1429 OD1 ASN B 9 8.355 -4.996 0.988 1.00 2.24 O ATOM 1430 ND2 ASN B 9 7.592 -7.054 0.720 1.00 44.53 N ATOM 0 H ASN B 9 10.705 -6.398 1.775 1.00 51.41 H new ATOM 0 HA ASN B 9 11.724 -6.090 -0.891 1.00 65.22 H new ATOM 0 HB2 ASN B 9 9.300 -6.162 -1.517 1.00 40.32 H new ATOM 0 HB3 ASN B 9 9.782 -7.498 -0.491 1.00 40.32 H new ATOM 0 HD21 ASN B 9 6.819 -6.883 1.363 1.00 44.53 H new ATOM 0 HD22 ASN B 9 7.693 -7.966 0.275 1.00 44.53 H new ATOM 1437 N ALA B 10 10.606 -3.368 0.548 1.00 34.21 N ATOM 1438 CA ALA B 10 10.493 -1.892 0.431 1.00 52.14 C ATOM 1439 C ALA B 10 11.869 -1.223 0.227 1.00 13.21 C ATOM 1440 O ALA B 10 11.952 -0.123 -0.321 1.00 64.05 O ATOM 1441 CB ALA B 10 9.814 -1.318 1.673 1.00 35.25 C ATOM 0 H ALA B 10 10.449 -3.716 1.494 1.00 34.21 H new ATOM 0 HA ALA B 10 9.887 -1.678 -0.449 1.00 52.14 H new ATOM 0 HB1 ALA B 10 9.736 -0.235 1.577 1.00 35.25 H new ATOM 0 HB2 ALA B 10 8.817 -1.746 1.773 1.00 35.25 H new ATOM 0 HB3 ALA B 10 10.404 -1.563 2.556 1.00 35.25 H new ATOM 1447 N GLY B 11 12.936 -1.903 0.694 1.00 73.40 N ATOM 1448 CA GLY B 11 14.318 -1.452 0.472 1.00 35.04 C ATOM 1449 C GLY B 11 14.715 -1.461 -1.006 1.00 53.11 C ATOM 1450 O GLY B 11 15.404 -0.552 -1.478 1.00 44.12 O ATOM 0 H GLY B 11 12.863 -2.769 1.228 1.00 73.40 H new ATOM 0 HA2 GLY B 11 14.434 -0.443 0.868 1.00 35.04 H new ATOM 0 HA3 GLY B 11 14.999 -2.094 1.030 1.00 35.04 H new ATOM 1454 N LYS B 12 14.250 -2.495 -1.729 1.00 34.15 N ATOM 1455 CA LYS B 12 14.454 -2.634 -3.188 1.00 64.44 C ATOM 1456 C LYS B 12 13.609 -1.595 -3.974 1.00 3.12 C ATOM 1457 O LYS B 12 14.082 -1.020 -4.961 1.00 70.40 O ATOM 1458 CB LYS B 12 14.102 -4.078 -3.634 1.00 74.34 C ATOM 1459 CG LYS B 12 14.282 -4.354 -5.147 1.00 42.22 C ATOM 1460 CD LYS B 12 14.035 -5.836 -5.525 1.00 15.23 C ATOM 1461 CE LYS B 12 15.056 -6.794 -4.881 1.00 1.04 C ATOM 1462 NZ LYS B 12 14.814 -8.206 -5.264 1.00 53.15 N ATOM 0 H LYS B 12 13.719 -3.263 -1.319 1.00 34.15 H new ATOM 0 HA LYS B 12 15.503 -2.441 -3.410 1.00 64.44 H new ATOM 0 HB2 LYS B 12 14.724 -4.777 -3.075 1.00 74.34 H new ATOM 0 HB3 LYS B 12 13.067 -4.285 -3.362 1.00 74.34 H new ATOM 0 HG2 LYS B 12 13.596 -3.722 -5.710 1.00 42.22 H new ATOM 0 HG3 LYS B 12 15.292 -4.072 -5.445 1.00 42.22 H new ATOM 0 HD2 LYS B 12 13.030 -6.122 -5.216 1.00 15.23 H new ATOM 0 HD3 LYS B 12 14.078 -5.942 -6.609 1.00 15.23 H new ATOM 0 HE2 LYS B 12 16.063 -6.505 -5.181 1.00 1.04 H new ATOM 0 HE3 LYS B 12 15.007 -6.699 -3.796 1.00 1.04 H new ATOM 0 HZ1 LYS B 12 15.523 -8.816 -4.809 1.00 53.15 H new ATOM 0 HZ2 LYS B 12 13.863 -8.491 -4.955 1.00 53.15 H new ATOM 0 HZ3 LYS B 12 14.886 -8.303 -6.297 1.00 53.15 H new ATOM 1476 N VAL B 13 12.360 -1.363 -3.518 1.00 2.14 N ATOM 1477 CA VAL B 13 11.451 -0.354 -4.119 1.00 24.14 C ATOM 1478 C VAL B 13 12.027 1.077 -3.980 1.00 5.50 C ATOM 1479 O VAL B 13 12.091 1.823 -4.956 1.00 3.42 O ATOM 1480 CB VAL B 13 10.009 -0.433 -3.488 1.00 3.11 C ATOM 1481 CG1 VAL B 13 9.082 0.688 -4.027 1.00 11.04 C ATOM 1482 CG2 VAL B 13 9.381 -1.828 -3.730 1.00 34.35 C ATOM 0 H VAL B 13 11.952 -1.864 -2.729 1.00 2.14 H new ATOM 0 HA VAL B 13 11.369 -0.585 -5.181 1.00 24.14 H new ATOM 0 HB VAL B 13 10.114 -0.281 -2.414 1.00 3.11 H new ATOM 0 HG11 VAL B 13 8.098 0.598 -3.568 1.00 11.04 H new ATOM 0 HG12 VAL B 13 9.509 1.661 -3.784 1.00 11.04 H new ATOM 0 HG13 VAL B 13 8.987 0.593 -5.109 1.00 11.04 H new ATOM 0 HG21 VAL B 13 8.386 -1.861 -3.286 1.00 34.35 H new ATOM 0 HG22 VAL B 13 9.307 -2.013 -4.802 1.00 34.35 H new ATOM 0 HG23 VAL B 13 10.008 -2.593 -3.272 1.00 34.35 H new ATOM 1492 N TRP B 14 12.470 1.426 -2.759 1.00 52.25 N ATOM 1493 CA TRP B 14 13.063 2.753 -2.457 1.00 4.41 C ATOM 1494 C TRP B 14 14.403 2.949 -3.216 1.00 50.54 C ATOM 1495 O TRP B 14 14.738 4.064 -3.621 1.00 24.30 O ATOM 1496 CB TRP B 14 13.257 2.928 -0.924 1.00 61.15 C ATOM 1497 CG TRP B 14 13.481 4.366 -0.483 1.00 53.11 C ATOM 1498 CD1 TRP B 14 12.534 5.280 -0.103 1.00 71.12 C ATOM 1499 CD2 TRP B 14 14.734 5.043 -0.398 1.00 74.53 C ATOM 1500 NE1 TRP B 14 13.134 6.469 0.227 1.00 30.01 N ATOM 1501 CE2 TRP B 14 14.487 6.347 0.052 1.00 43.31 C ATOM 1502 CE3 TRP B 14 16.038 4.653 -0.659 1.00 31.33 C ATOM 1503 CZ2 TRP B 14 15.513 7.268 0.245 1.00 63.04 C ATOM 1504 CZ3 TRP B 14 17.059 5.561 -0.475 1.00 41.11 C ATOM 1505 CH2 TRP B 14 16.791 6.857 -0.022 1.00 62.21 C ATOM 0 H TRP B 14 12.430 0.803 -1.953 1.00 52.25 H new ATOM 0 HA TRP B 14 12.372 3.522 -2.802 1.00 4.41 H new ATOM 0 HB2 TRP B 14 12.379 2.535 -0.411 1.00 61.15 H new ATOM 0 HB3 TRP B 14 14.108 2.326 -0.606 1.00 61.15 H new ATOM 0 HD1 TRP B 14 11.471 5.092 -0.068 1.00 71.12 H new ATOM 0 HE1 TRP B 14 12.651 7.307 0.550 1.00 30.01 H new ATOM 0 HE3 TRP B 14 16.251 3.651 -1.002 1.00 31.33 H new ATOM 0 HZ2 TRP B 14 15.308 8.270 0.593 1.00 63.04 H new ATOM 0 HZ3 TRP B 14 18.078 5.268 -0.683 1.00 41.11 H new ATOM 0 HH2 TRP B 14 17.609 7.547 0.120 1.00 62.21 H new ATOM 1516 N HIS B 15 15.156 1.846 -3.389 1.00 21.53 N ATOM 1517 CA HIS B 15 16.394 1.812 -4.209 1.00 72.43 C ATOM 1518 C HIS B 15 16.076 2.139 -5.695 1.00 2.44 C ATOM 1519 O HIS B 15 16.834 2.858 -6.362 1.00 14.41 O ATOM 1520 CB HIS B 15 17.053 0.415 -4.070 1.00 62.51 C ATOM 1521 CG HIS B 15 18.368 0.252 -4.781 1.00 65.01 C ATOM 1522 ND1 HIS B 15 18.464 -0.159 -6.088 1.00 21.51 N ATOM 1523 CD2 HIS B 15 19.642 0.414 -4.352 1.00 73.22 C ATOM 1524 CE1 HIS B 15 19.726 -0.249 -6.433 1.00 45.11 C ATOM 1525 NE2 HIS B 15 20.467 0.093 -5.402 1.00 34.54 N ATOM 0 H HIS B 15 14.927 0.947 -2.965 1.00 21.53 H new ATOM 0 HA HIS B 15 17.091 2.570 -3.852 1.00 72.43 H new ATOM 0 HB2 HIS B 15 17.203 0.206 -3.011 1.00 62.51 H new ATOM 0 HB3 HIS B 15 16.359 -0.335 -4.448 1.00 62.51 H new ATOM 0 HD2 HIS B 15 19.951 0.735 -3.368 1.00 73.22 H new ATOM 0 HE1 HIS B 15 20.095 -0.553 -7.401 1.00 45.11 H new ATOM 0 HE2 HIS B 15 21.487 0.116 -5.385 1.00 34.54 H new ATOM 1534 N ALA B 16 14.935 1.610 -6.180 1.00 20.15 N ATOM 1535 CA ALA B 16 14.405 1.901 -7.534 1.00 51.05 C ATOM 1536 C ALA B 16 13.929 3.371 -7.659 1.00 4.51 C ATOM 1537 O ALA B 16 14.016 3.968 -8.731 1.00 30.31 O ATOM 1538 CB ALA B 16 13.264 0.929 -7.880 1.00 63.41 C ATOM 0 H ALA B 16 14.351 0.967 -5.645 1.00 20.15 H new ATOM 0 HA ALA B 16 15.217 1.760 -8.247 1.00 51.05 H new ATOM 0 HB1 ALA B 16 12.884 1.154 -8.877 1.00 63.41 H new ATOM 0 HB2 ALA B 16 13.638 -0.094 -7.857 1.00 63.41 H new ATOM 0 HB3 ALA B 16 12.460 1.038 -7.152 1.00 63.41 H new ATOM 1544 N LEU B 17 13.427 3.937 -6.548 1.00 61.24 N ATOM 1545 CA LEU B 17 13.021 5.360 -6.468 1.00 61.44 C ATOM 1546 C LEU B 17 14.250 6.295 -6.403 1.00 21.05 C ATOM 1547 O LEU B 17 14.211 7.425 -6.894 1.00 22.50 O ATOM 1548 CB LEU B 17 12.134 5.579 -5.220 1.00 12.21 C ATOM 1549 CG LEU B 17 10.816 4.750 -5.173 1.00 34.55 C ATOM 1550 CD1 LEU B 17 10.143 4.858 -3.794 1.00 63.31 C ATOM 1551 CD2 LEU B 17 9.855 5.162 -6.312 1.00 5.42 C ATOM 0 H LEU B 17 13.289 3.424 -5.677 1.00 61.24 H new ATOM 0 HA LEU B 17 12.459 5.602 -7.370 1.00 61.44 H new ATOM 0 HB2 LEU B 17 12.722 5.342 -4.333 1.00 12.21 H new ATOM 0 HB3 LEU B 17 11.878 6.637 -5.160 1.00 12.21 H new ATOM 0 HG LEU B 17 11.073 3.702 -5.329 1.00 34.55 H new ATOM 0 HD11 LEU B 17 9.225 4.270 -3.790 1.00 63.31 H new ATOM 0 HD12 LEU B 17 10.820 4.480 -3.028 1.00 63.31 H new ATOM 0 HD13 LEU B 17 9.906 5.901 -3.586 1.00 63.31 H new ATOM 0 HD21 LEU B 17 8.944 4.566 -6.253 1.00 5.42 H new ATOM 0 HD22 LEU B 17 9.605 6.218 -6.213 1.00 5.42 H new ATOM 0 HD23 LEU B 17 10.338 4.993 -7.274 1.00 5.42 H new ATOM 1563 N ASN B 18 15.343 5.811 -5.785 1.00 74.12 N ATOM 1564 CA ASN B 18 16.577 6.606 -5.588 1.00 22.00 C ATOM 1565 C ASN B 18 17.326 6.796 -6.931 1.00 13.53 C ATOM 1566 O ASN B 18 18.041 7.785 -7.120 1.00 3.51 O ATOM 1567 CB ASN B 18 17.478 5.935 -4.509 1.00 23.11 C ATOM 1568 CG ASN B 18 18.579 6.863 -3.981 1.00 0.50 C ATOM 1569 OD1 ASN B 18 18.367 7.622 -3.042 1.00 63.35 O ATOM 1570 ND2 ASN B 18 19.753 6.818 -4.578 1.00 51.54 N ATOM 0 H ASN B 18 15.400 4.865 -5.409 1.00 74.12 H new ATOM 0 HA ASN B 18 16.308 7.599 -5.227 1.00 22.00 H new ATOM 0 HB2 ASN B 18 16.855 5.610 -3.676 1.00 23.11 H new ATOM 0 HB3 ASN B 18 17.937 5.041 -4.932 1.00 23.11 H new ATOM 0 HD21 ASN B 18 20.510 7.423 -4.261 1.00 51.54 H new ATOM 0 HD22 ASN B 18 19.905 6.178 -5.357 1.00 51.54 H new ATOM 1577 N GLU B 19 17.118 5.850 -7.872 1.00 3.01 N ATOM 1578 CA GLU B 19 17.677 5.922 -9.242 1.00 11.14 C ATOM 1579 C GLU B 19 16.651 6.524 -10.245 1.00 62.42 C ATOM 1580 O GLU B 19 17.050 7.138 -11.244 1.00 74.10 O ATOM 1581 CB GLU B 19 18.132 4.509 -9.707 1.00 71.33 C ATOM 1582 CG GLU B 19 17.004 3.455 -9.777 1.00 30.44 C ATOM 1583 CD GLU B 19 17.488 2.049 -10.171 1.00 50.42 C ATOM 1584 OE1 GLU B 19 17.737 1.816 -11.376 1.00 13.01 O ATOM 1585 OE2 GLU B 19 17.627 1.174 -9.278 1.00 3.24 O ATOM 0 H GLU B 19 16.558 5.014 -7.705 1.00 3.01 H new ATOM 0 HA GLU B 19 18.542 6.585 -9.220 1.00 11.14 H new ATOM 0 HB2 GLU B 19 18.590 4.596 -10.692 1.00 71.33 H new ATOM 0 HB3 GLU B 19 18.904 4.149 -9.027 1.00 71.33 H new ATOM 0 HG2 GLU B 19 16.511 3.400 -8.807 1.00 30.44 H new ATOM 0 HG3 GLU B 19 16.255 3.786 -10.497 1.00 30.44 H new ATOM 1592 N ALA B 20 15.335 6.324 -9.977 1.00 54.24 N ATOM 1593 CA ALA B 20 14.234 6.840 -10.838 1.00 70.12 C ATOM 1594 C ALA B 20 12.856 6.772 -10.115 1.00 62.01 C ATOM 1595 O ALA B 20 12.187 5.732 -10.127 1.00 34.23 O ATOM 1596 CB ALA B 20 14.184 6.065 -12.176 1.00 44.34 C ATOM 0 H ALA B 20 15.006 5.804 -9.163 1.00 54.24 H new ATOM 0 HA ALA B 20 14.444 7.889 -11.047 1.00 70.12 H new ATOM 0 HB1 ALA B 20 13.374 6.455 -12.792 1.00 44.34 H new ATOM 0 HB2 ALA B 20 15.131 6.186 -12.702 1.00 44.34 H new ATOM 0 HB3 ALA B 20 14.012 5.007 -11.978 1.00 44.34 H new ATOM 1602 N ASP B 21 12.449 7.879 -9.465 1.00 2.24 N ATOM 1603 CA ASP B 21 11.131 7.988 -8.785 1.00 43.14 C ATOM 1604 C ASP B 21 10.078 8.686 -9.682 1.00 33.04 C ATOM 1605 O ASP B 21 10.378 9.091 -10.814 1.00 72.14 O ATOM 1606 CB ASP B 21 11.295 8.739 -7.438 1.00 54.32 C ATOM 1607 CG ASP B 21 11.785 10.188 -7.594 1.00 24.45 C ATOM 1608 OD1 ASP B 21 12.986 10.395 -7.882 1.00 3.13 O ATOM 1609 OD2 ASP B 21 10.975 11.122 -7.420 1.00 52.42 O ATOM 0 H ASP B 21 13.017 8.723 -9.393 1.00 2.24 H new ATOM 0 HA ASP B 21 10.765 6.980 -8.589 1.00 43.14 H new ATOM 0 HB2 ASP B 21 10.338 8.743 -6.915 1.00 54.32 H new ATOM 0 HB3 ASP B 21 11.999 8.192 -6.811 1.00 54.32 H new ATOM 1614 N GLY B 22 8.840 8.824 -9.161 1.00 3.22 N ATOM 1615 CA GLY B 22 7.738 9.446 -9.913 1.00 61.14 C ATOM 1616 C GLY B 22 7.189 8.555 -11.023 1.00 44.11 C ATOM 1617 O GLY B 22 6.826 9.038 -12.099 1.00 62.32 O ATOM 0 H GLY B 22 8.583 8.513 -8.224 1.00 3.22 H new ATOM 0 HA2 GLY B 22 6.931 9.695 -9.223 1.00 61.14 H new ATOM 0 HA3 GLY B 22 8.087 10.383 -10.347 1.00 61.14 H new ATOM 1621 N ILE B 23 7.129 7.246 -10.744 1.00 4.13 N ATOM 1622 CA ILE B 23 6.714 6.210 -11.715 1.00 32.15 C ATOM 1623 C ILE B 23 5.453 5.460 -11.209 1.00 71.44 C ATOM 1624 O ILE B 23 5.225 5.373 -9.998 1.00 34.50 O ATOM 1625 CB ILE B 23 7.911 5.212 -11.992 1.00 74.25 C ATOM 1626 CG1 ILE B 23 7.543 4.162 -13.091 1.00 5.22 C ATOM 1627 CG2 ILE B 23 8.396 4.527 -10.690 1.00 52.21 C ATOM 1628 CD1 ILE B 23 8.679 3.242 -13.511 1.00 61.13 C ATOM 0 H ILE B 23 7.369 6.866 -9.828 1.00 4.13 H new ATOM 0 HA ILE B 23 6.452 6.692 -12.657 1.00 32.15 H new ATOM 0 HB ILE B 23 8.742 5.804 -12.375 1.00 74.25 H new ATOM 0 HG12 ILE B 23 6.718 3.551 -12.726 1.00 5.22 H new ATOM 0 HG13 ILE B 23 7.181 4.693 -13.972 1.00 5.22 H new ATOM 0 HG21 ILE B 23 9.218 3.849 -10.920 1.00 52.21 H new ATOM 0 HG22 ILE B 23 8.737 5.285 -9.985 1.00 52.21 H new ATOM 0 HG23 ILE B 23 7.574 3.964 -10.247 1.00 52.21 H new ATOM 0 HD11 ILE B 23 8.324 2.551 -14.276 1.00 61.13 H new ATOM 0 HD12 ILE B 23 9.500 3.837 -13.912 1.00 61.13 H new ATOM 0 HD13 ILE B 23 9.029 2.678 -12.647 1.00 61.13 H new ATOM 1640 N SER B 24 4.623 4.954 -12.147 1.00 24.42 N ATOM 1641 CA SER B 24 3.408 4.168 -11.812 1.00 51.42 C ATOM 1642 C SER B 24 3.769 2.869 -11.054 1.00 62.31 C ATOM 1643 O SER B 24 4.755 2.206 -11.395 1.00 73.10 O ATOM 1644 CB SER B 24 2.623 3.807 -13.096 1.00 73.23 C ATOM 1645 OG SER B 24 2.394 4.948 -13.902 1.00 20.54 O ATOM 0 H SER B 24 4.771 5.075 -13.149 1.00 24.42 H new ATOM 0 HA SER B 24 2.787 4.789 -11.167 1.00 51.42 H new ATOM 0 HB2 SER B 24 3.179 3.063 -13.666 1.00 73.23 H new ATOM 0 HB3 SER B 24 1.669 3.354 -12.825 1.00 73.23 H new ATOM 0 HG SER B 24 3.016 4.944 -14.659 1.00 20.54 H new ATOM 1651 N ILE B 25 2.950 2.511 -10.043 1.00 53.22 N ATOM 1652 CA ILE B 25 3.144 1.290 -9.217 1.00 25.40 C ATOM 1653 C ILE B 25 3.266 -0.027 -10.074 1.00 11.43 C ATOM 1654 O ILE B 25 4.161 -0.831 -9.799 1.00 31.01 O ATOM 1655 CB ILE B 25 1.992 1.124 -8.143 1.00 31.53 C ATOM 1656 CG1 ILE B 25 1.883 2.395 -7.239 1.00 53.04 C ATOM 1657 CG2 ILE B 25 2.185 -0.157 -7.283 1.00 33.51 C ATOM 1658 CD1 ILE B 25 0.730 2.384 -6.236 1.00 63.43 C ATOM 0 H ILE B 25 2.133 3.058 -9.772 1.00 53.22 H new ATOM 0 HA ILE B 25 4.095 1.435 -8.704 1.00 25.40 H new ATOM 0 HB ILE B 25 1.054 1.011 -8.687 1.00 31.53 H new ATOM 0 HG12 ILE B 25 2.818 2.513 -6.692 1.00 53.04 H new ATOM 0 HG13 ILE B 25 1.777 3.270 -7.881 1.00 53.04 H new ATOM 0 HG21 ILE B 25 1.374 -0.234 -6.558 1.00 33.51 H new ATOM 0 HG22 ILE B 25 2.178 -1.034 -7.930 1.00 33.51 H new ATOM 0 HG23 ILE B 25 3.138 -0.102 -6.757 1.00 33.51 H new ATOM 0 HD11 ILE B 25 0.742 3.308 -5.658 1.00 63.43 H new ATOM 0 HD12 ILE B 25 -0.216 2.302 -6.770 1.00 63.43 H new ATOM 0 HD13 ILE B 25 0.841 1.534 -5.563 1.00 63.43 H new ATOM 1670 N PRO B 26 2.382 -0.292 -11.120 1.00 5.13 N ATOM 1671 CA PRO B 26 2.509 -1.511 -11.980 1.00 2.54 C ATOM 1672 C PRO B 26 3.824 -1.596 -12.817 1.00 42.31 C ATOM 1673 O PRO B 26 4.303 -2.696 -13.098 1.00 43.22 O ATOM 1674 CB PRO B 26 1.248 -1.447 -12.897 1.00 21.43 C ATOM 1675 CG PRO B 26 0.855 -0.004 -12.899 1.00 71.44 C ATOM 1676 CD PRO B 26 1.162 0.489 -11.504 1.00 4.22 C ATOM 0 HA PRO B 26 2.566 -2.409 -11.364 1.00 2.54 H new ATOM 0 HB2 PRO B 26 1.472 -1.798 -13.904 1.00 21.43 H new ATOM 0 HB3 PRO B 26 0.445 -2.076 -12.512 1.00 21.43 H new ATOM 0 HG2 PRO B 26 1.415 0.556 -13.647 1.00 71.44 H new ATOM 0 HG3 PRO B 26 -0.202 0.116 -13.136 1.00 71.44 H new ATOM 0 HD2 PRO B 26 1.351 1.562 -11.490 1.00 4.22 H new ATOM 0 HD3 PRO B 26 0.334 0.302 -10.820 1.00 4.22 H new ATOM 1684 N GLU B 27 4.399 -0.436 -13.193 1.00 13.22 N ATOM 1685 CA GLU B 27 5.672 -0.367 -13.969 1.00 30.42 C ATOM 1686 C GLU B 27 6.862 -0.660 -13.042 1.00 3.41 C ATOM 1687 O GLU B 27 7.739 -1.476 -13.338 1.00 42.02 O ATOM 1688 CB GLU B 27 5.848 1.039 -14.588 1.00 33.13 C ATOM 1689 CG GLU B 27 4.744 1.461 -15.569 1.00 0.32 C ATOM 1690 CD GLU B 27 5.037 2.820 -16.227 1.00 61.23 C ATOM 1691 OE1 GLU B 27 4.717 3.868 -15.627 1.00 21.24 O ATOM 1692 OE2 GLU B 27 5.607 2.846 -17.339 1.00 71.10 O ATOM 0 H GLU B 27 4.004 0.478 -12.973 1.00 13.22 H new ATOM 0 HA GLU B 27 5.633 -1.109 -14.767 1.00 30.42 H new ATOM 0 HB2 GLU B 27 5.895 1.771 -13.782 1.00 33.13 H new ATOM 0 HB3 GLU B 27 6.806 1.074 -15.106 1.00 33.13 H new ATOM 0 HG2 GLU B 27 4.638 0.700 -16.343 1.00 0.32 H new ATOM 0 HG3 GLU B 27 3.792 1.513 -15.041 1.00 0.32 H new ATOM 1699 N LEU B 28 6.838 0.048 -11.912 1.00 44.23 N ATOM 1700 CA LEU B 28 7.769 -0.103 -10.783 1.00 52.21 C ATOM 1701 C LEU B 28 7.814 -1.564 -10.254 1.00 62.45 C ATOM 1702 O LEU B 28 8.874 -2.059 -9.863 1.00 55.51 O ATOM 1703 CB LEU B 28 7.286 0.872 -9.689 1.00 52.31 C ATOM 1704 CG LEU B 28 8.014 0.847 -8.321 1.00 43.41 C ATOM 1705 CD1 LEU B 28 9.494 1.277 -8.439 1.00 14.44 C ATOM 1706 CD2 LEU B 28 7.236 1.710 -7.308 1.00 14.13 C ATOM 0 H LEU B 28 6.141 0.774 -11.747 1.00 44.23 H new ATOM 0 HA LEU B 28 8.788 0.125 -11.096 1.00 52.21 H new ATOM 0 HB2 LEU B 28 7.358 1.884 -10.088 1.00 52.31 H new ATOM 0 HB3 LEU B 28 6.229 0.675 -9.509 1.00 52.31 H new ATOM 0 HG LEU B 28 8.034 -0.181 -7.958 1.00 43.41 H new ATOM 0 HD11 LEU B 28 9.962 1.244 -7.455 1.00 14.44 H new ATOM 0 HD12 LEU B 28 10.017 0.599 -9.113 1.00 14.44 H new ATOM 0 HD13 LEU B 28 9.548 2.292 -8.832 1.00 14.44 H new ATOM 0 HD21 LEU B 28 7.748 1.692 -6.346 1.00 14.13 H new ATOM 0 HD22 LEU B 28 7.181 2.736 -7.671 1.00 14.13 H new ATOM 0 HD23 LEU B 28 6.228 1.312 -7.190 1.00 14.13 H new ATOM 1718 N ALA B 29 6.643 -2.231 -10.271 1.00 3.30 N ATOM 1719 CA ALA B 29 6.496 -3.656 -9.896 1.00 1.20 C ATOM 1720 C ALA B 29 7.377 -4.579 -10.767 1.00 55.25 C ATOM 1721 O ALA B 29 8.046 -5.484 -10.260 1.00 72.03 O ATOM 1722 CB ALA B 29 5.019 -4.068 -10.000 1.00 12.12 C ATOM 0 H ALA B 29 5.764 -1.794 -10.547 1.00 3.30 H new ATOM 0 HA ALA B 29 6.835 -3.769 -8.866 1.00 1.20 H new ATOM 0 HB1 ALA B 29 4.914 -5.117 -9.724 1.00 12.12 H new ATOM 0 HB2 ALA B 29 4.422 -3.453 -9.327 1.00 12.12 H new ATOM 0 HB3 ALA B 29 4.673 -3.926 -11.024 1.00 12.12 H new ATOM 1728 N ARG B 30 7.396 -4.301 -12.079 1.00 45.44 N ATOM 1729 CA ARG B 30 8.171 -5.090 -13.062 1.00 22.51 C ATOM 1730 C ARG B 30 9.692 -4.822 -12.925 1.00 32.32 C ATOM 1731 O ARG B 30 10.512 -5.661 -13.306 1.00 1.32 O ATOM 1732 CB ARG B 30 7.682 -4.774 -14.503 1.00 61.51 C ATOM 1733 CG ARG B 30 6.150 -4.897 -14.702 1.00 42.33 C ATOM 1734 CD ARG B 30 5.595 -6.284 -14.316 1.00 22.42 C ATOM 1735 NE ARG B 30 4.126 -6.365 -14.446 1.00 4.11 N ATOM 1736 CZ ARG B 30 3.403 -7.456 -14.270 1.00 44.50 C ATOM 1737 NH1 ARG B 30 3.959 -8.596 -13.994 1.00 31.14 N ATOM 1738 NH2 ARG B 30 2.116 -7.398 -14.382 1.00 1.04 N ATOM 0 H ARG B 30 6.878 -3.526 -12.493 1.00 45.44 H new ATOM 0 HA ARG B 30 8.005 -6.148 -12.859 1.00 22.51 H new ATOM 0 HB2 ARG B 30 7.990 -3.761 -14.764 1.00 61.51 H new ATOM 0 HB3 ARG B 30 8.182 -5.448 -15.199 1.00 61.51 H new ATOM 0 HG2 ARG B 30 5.650 -4.134 -14.105 1.00 42.33 H new ATOM 0 HG3 ARG B 30 5.908 -4.694 -15.745 1.00 42.33 H new ATOM 0 HD2 ARG B 30 6.054 -7.044 -14.948 1.00 22.42 H new ATOM 0 HD3 ARG B 30 5.878 -6.511 -13.288 1.00 22.42 H new ATOM 0 HE ARG B 30 3.630 -5.509 -14.692 1.00 4.11 H new ATOM 0 HH11 ARG B 30 4.973 -8.661 -13.909 1.00 31.14 H new ATOM 0 HH12 ARG B 30 3.382 -9.426 -13.862 1.00 31.14 H new ATOM 0 HH21 ARG B 30 1.663 -6.512 -14.606 1.00 1.04 H new ATOM 0 HH22 ARG B 30 1.554 -8.238 -14.247 1.00 1.04 H new ATOM 1752 N LYS B 31 10.051 -3.638 -12.384 1.00 53.42 N ATOM 1753 CA LYS B 31 11.460 -3.263 -12.097 1.00 53.01 C ATOM 1754 C LYS B 31 11.987 -3.977 -10.830 1.00 23.43 C ATOM 1755 O LYS B 31 13.131 -4.440 -10.795 1.00 54.24 O ATOM 1756 CB LYS B 31 11.577 -1.726 -11.910 1.00 1.34 C ATOM 1757 CG LYS B 31 11.067 -0.894 -13.103 1.00 13.33 C ATOM 1758 CD LYS B 31 11.227 0.629 -12.875 1.00 20.03 C ATOM 1759 CE LYS B 31 12.701 1.084 -12.844 1.00 2.25 C ATOM 1760 NZ LYS B 31 13.394 0.812 -14.134 1.00 23.41 N ATOM 0 H LYS B 31 9.377 -2.914 -12.133 1.00 53.42 H new ATOM 0 HA LYS B 31 12.066 -3.577 -12.947 1.00 53.01 H new ATOM 0 HB2 LYS B 31 11.020 -1.438 -11.019 1.00 1.34 H new ATOM 0 HB3 LYS B 31 12.622 -1.474 -11.728 1.00 1.34 H new ATOM 0 HG2 LYS B 31 11.611 -1.183 -14.002 1.00 13.33 H new ATOM 0 HG3 LYS B 31 10.016 -1.123 -13.279 1.00 13.33 H new ATOM 0 HD2 LYS B 31 10.704 1.166 -13.666 1.00 20.03 H new ATOM 0 HD3 LYS B 31 10.749 0.902 -11.934 1.00 20.03 H new ATOM 0 HE2 LYS B 31 12.747 2.151 -12.625 1.00 2.25 H new ATOM 0 HE3 LYS B 31 13.223 0.570 -12.036 1.00 2.25 H new ATOM 0 HZ1 LYS B 31 14.323 1.280 -14.135 1.00 23.41 H new ATOM 0 HZ2 LYS B 31 13.523 -0.214 -14.249 1.00 23.41 H new ATOM 0 HZ3 LYS B 31 12.821 1.179 -14.920 1.00 23.41 H new ATOM 1774 N VAL B 32 11.139 -4.043 -9.780 1.00 41.22 N ATOM 1775 CA VAL B 32 11.499 -4.674 -8.481 1.00 12.13 C ATOM 1776 C VAL B 32 11.155 -6.188 -8.444 1.00 13.10 C ATOM 1777 O VAL B 32 11.321 -6.830 -7.401 1.00 60.44 O ATOM 1778 CB VAL B 32 10.810 -3.925 -7.275 1.00 3.21 C ATOM 1779 CG1 VAL B 32 11.207 -2.426 -7.258 1.00 64.24 C ATOM 1780 CG2 VAL B 32 9.269 -4.096 -7.290 1.00 15.03 C ATOM 0 H VAL B 32 10.192 -3.665 -9.803 1.00 41.22 H new ATOM 0 HA VAL B 32 12.580 -4.582 -8.379 1.00 12.13 H new ATOM 0 HB VAL B 32 11.173 -4.385 -6.356 1.00 3.21 H new ATOM 0 HG11 VAL B 32 10.720 -1.930 -6.418 1.00 64.24 H new ATOM 0 HG12 VAL B 32 12.288 -2.337 -7.155 1.00 64.24 H new ATOM 0 HG13 VAL B 32 10.892 -1.956 -8.189 1.00 64.24 H new ATOM 0 HG21 VAL B 32 8.836 -3.565 -6.443 1.00 15.03 H new ATOM 0 HG22 VAL B 32 8.867 -3.689 -8.218 1.00 15.03 H new ATOM 0 HG23 VAL B 32 9.020 -5.155 -7.220 1.00 15.03 H new ATOM 1790 N ASN B 33 10.665 -6.729 -9.590 1.00 24.41 N ATOM 1791 CA ASN B 33 10.394 -8.185 -9.797 1.00 62.01 C ATOM 1792 C ASN B 33 9.217 -8.708 -8.901 1.00 33.13 C ATOM 1793 O ASN B 33 9.088 -9.911 -8.644 1.00 55.51 O ATOM 1794 CB ASN B 33 11.721 -9.003 -9.592 1.00 43.51 C ATOM 1795 CG ASN B 33 11.673 -10.482 -10.006 1.00 4.41 C ATOM 1796 OD1 ASN B 33 12.328 -11.327 -9.402 1.00 71.22 O ATOM 1797 ND2 ASN B 33 10.917 -10.813 -11.035 1.00 21.55 N ATOM 0 H ASN B 33 10.443 -6.163 -10.409 1.00 24.41 H new ATOM 0 HA ASN B 33 10.058 -8.332 -10.823 1.00 62.01 H new ATOM 0 HB2 ASN B 33 12.516 -8.514 -10.155 1.00 43.51 H new ATOM 0 HB3 ASN B 33 11.998 -8.950 -8.539 1.00 43.51 H new ATOM 0 HD21 ASN B 33 10.869 -11.785 -11.341 1.00 21.55 H new ATOM 0 HD22 ASN B 33 10.380 -10.097 -11.524 1.00 21.55 H new ATOM 1804 N LEU B 34 8.337 -7.790 -8.460 1.00 74.12 N ATOM 1805 CA LEU B 34 7.159 -8.126 -7.618 1.00 62.23 C ATOM 1806 C LEU B 34 5.829 -7.867 -8.370 1.00 60.44 C ATOM 1807 O LEU B 34 5.814 -7.303 -9.469 1.00 52.02 O ATOM 1808 CB LEU B 34 7.195 -7.294 -6.301 1.00 42.43 C ATOM 1809 CG LEU B 34 8.461 -7.479 -5.403 1.00 32.45 C ATOM 1810 CD1 LEU B 34 8.423 -6.545 -4.171 1.00 65.41 C ATOM 1811 CD2 LEU B 34 8.635 -8.959 -4.990 1.00 74.32 C ATOM 0 H LEU B 34 8.416 -6.796 -8.673 1.00 74.12 H new ATOM 0 HA LEU B 34 7.208 -9.189 -7.381 1.00 62.23 H new ATOM 0 HB2 LEU B 34 7.110 -6.239 -6.560 1.00 42.43 H new ATOM 0 HB3 LEU B 34 6.315 -7.549 -5.710 1.00 42.43 H new ATOM 0 HG LEU B 34 9.332 -7.196 -5.993 1.00 32.45 H new ATOM 0 HD11 LEU B 34 9.318 -6.700 -3.569 1.00 65.41 H new ATOM 0 HD12 LEU B 34 8.384 -5.507 -4.502 1.00 65.41 H new ATOM 0 HD13 LEU B 34 7.540 -6.768 -3.572 1.00 65.41 H new ATOM 0 HD21 LEU B 34 9.523 -9.061 -4.366 1.00 74.32 H new ATOM 0 HD22 LEU B 34 7.759 -9.286 -4.430 1.00 74.32 H new ATOM 0 HD23 LEU B 34 8.746 -9.575 -5.882 1.00 74.32 H new ATOM 1823 N SER B 35 4.714 -8.311 -7.760 1.00 11.21 N ATOM 1824 CA SER B 35 3.343 -7.980 -8.224 1.00 1.40 C ATOM 1825 C SER B 35 2.988 -6.510 -7.906 1.00 42.21 C ATOM 1826 O SER B 35 3.583 -5.910 -7.009 1.00 34.41 O ATOM 1827 CB SER B 35 2.309 -8.912 -7.553 1.00 22.44 C ATOM 1828 OG SER B 35 0.984 -8.614 -7.972 1.00 4.14 O ATOM 0 H SER B 35 4.732 -8.908 -6.933 1.00 11.21 H new ATOM 0 HA SER B 35 3.315 -8.122 -9.304 1.00 1.40 H new ATOM 0 HB2 SER B 35 2.543 -9.949 -7.795 1.00 22.44 H new ATOM 0 HB3 SER B 35 2.379 -8.814 -6.470 1.00 22.44 H new ATOM 0 HG SER B 35 0.356 -9.223 -7.530 1.00 4.14 H new ATOM 1834 N VAL B 36 2.000 -5.954 -8.635 1.00 2.34 N ATOM 1835 CA VAL B 36 1.517 -4.560 -8.431 1.00 43.44 C ATOM 1836 C VAL B 36 1.033 -4.339 -6.975 1.00 32.22 C ATOM 1837 O VAL B 36 1.410 -3.361 -6.326 1.00 40.24 O ATOM 1838 CB VAL B 36 0.349 -4.212 -9.424 1.00 41.34 C ATOM 1839 CG1 VAL B 36 -0.098 -2.728 -9.307 1.00 52.04 C ATOM 1840 CG2 VAL B 36 0.728 -4.576 -10.880 1.00 31.13 C ATOM 0 H VAL B 36 1.512 -6.450 -9.380 1.00 2.34 H new ATOM 0 HA VAL B 36 2.361 -3.899 -8.628 1.00 43.44 H new ATOM 0 HB VAL B 36 -0.508 -4.822 -9.138 1.00 41.34 H new ATOM 0 HG11 VAL B 36 -0.907 -2.535 -10.012 1.00 52.04 H new ATOM 0 HG12 VAL B 36 -0.446 -2.532 -8.293 1.00 52.04 H new ATOM 0 HG13 VAL B 36 0.745 -2.075 -9.534 1.00 52.04 H new ATOM 0 HG21 VAL B 36 -0.098 -4.324 -11.545 1.00 31.13 H new ATOM 0 HG22 VAL B 36 1.615 -4.016 -11.176 1.00 31.13 H new ATOM 0 HG23 VAL B 36 0.935 -5.644 -10.946 1.00 31.13 H new ATOM 1850 N GLU B 37 0.210 -5.288 -6.484 1.00 74.40 N ATOM 1851 CA GLU B 37 -0.319 -5.275 -5.096 1.00 75.04 C ATOM 1852 C GLU B 37 0.810 -5.417 -4.041 1.00 40.20 C ATOM 1853 O GLU B 37 0.790 -4.736 -3.014 1.00 31.32 O ATOM 1854 CB GLU B 37 -1.370 -6.403 -4.907 1.00 54.34 C ATOM 1855 CG GLU B 37 -2.584 -6.306 -5.853 1.00 61.22 C ATOM 1856 CD GLU B 37 -3.633 -7.410 -5.612 1.00 61.43 C ATOM 1857 OE1 GLU B 37 -3.384 -8.576 -6.003 1.00 14.12 O ATOM 1858 OE2 GLU B 37 -4.714 -7.118 -5.052 1.00 72.42 O ATOM 0 H GLU B 37 -0.109 -6.086 -7.034 1.00 74.40 H new ATOM 0 HA GLU B 37 -0.796 -4.307 -4.940 1.00 75.04 H new ATOM 0 HB2 GLU B 37 -0.883 -7.366 -5.058 1.00 54.34 H new ATOM 0 HB3 GLU B 37 -1.725 -6.384 -3.877 1.00 54.34 H new ATOM 0 HG2 GLU B 37 -3.056 -5.332 -5.728 1.00 61.22 H new ATOM 0 HG3 GLU B 37 -2.237 -6.362 -6.885 1.00 61.22 H new ATOM 1865 N SER B 38 1.793 -6.298 -4.318 1.00 51.13 N ATOM 1866 CA SER B 38 2.964 -6.529 -3.423 1.00 42.13 C ATOM 1867 C SER B 38 3.889 -5.294 -3.345 1.00 33.23 C ATOM 1868 O SER B 38 4.485 -5.020 -2.301 1.00 72.51 O ATOM 1869 CB SER B 38 3.775 -7.752 -3.905 1.00 42.14 C ATOM 1870 OG SER B 38 2.981 -8.927 -3.918 1.00 43.45 O ATOM 0 H SER B 38 1.805 -6.871 -5.162 1.00 51.13 H new ATOM 0 HA SER B 38 2.571 -6.717 -2.424 1.00 42.13 H new ATOM 0 HB2 SER B 38 4.163 -7.562 -4.906 1.00 42.14 H new ATOM 0 HB3 SER B 38 4.636 -7.900 -3.253 1.00 42.14 H new ATOM 0 HG SER B 38 3.521 -9.683 -4.229 1.00 43.45 H new ATOM 1876 N THR B 39 3.996 -4.562 -4.467 1.00 13.13 N ATOM 1877 CA THR B 39 4.826 -3.340 -4.573 1.00 21.53 C ATOM 1878 C THR B 39 4.135 -2.138 -3.890 1.00 61.34 C ATOM 1879 O THR B 39 4.793 -1.352 -3.222 1.00 41.24 O ATOM 1880 CB THR B 39 5.151 -3.006 -6.068 1.00 3.03 C ATOM 1881 OG1 THR B 39 5.821 -4.126 -6.665 1.00 3.23 O ATOM 1882 CG2 THR B 39 6.036 -1.755 -6.233 1.00 42.42 C ATOM 0 H THR B 39 3.509 -4.798 -5.332 1.00 13.13 H new ATOM 0 HA THR B 39 5.765 -3.535 -4.055 1.00 21.53 H new ATOM 0 HB THR B 39 4.201 -2.799 -6.560 1.00 3.03 H new ATOM 0 HG1 THR B 39 5.169 -4.831 -6.860 1.00 3.23 H new ATOM 0 HG21 THR B 39 6.224 -1.579 -7.292 1.00 42.42 H new ATOM 0 HG22 THR B 39 5.527 -0.891 -5.806 1.00 42.42 H new ATOM 0 HG23 THR B 39 6.984 -1.909 -5.717 1.00 42.42 H new ATOM 1890 N ALA B 40 2.799 -2.018 -4.053 1.00 42.11 N ATOM 1891 CA ALA B 40 1.985 -0.987 -3.352 1.00 0.01 C ATOM 1892 C ALA B 40 2.012 -1.203 -1.813 1.00 55.34 C ATOM 1893 O ALA B 40 2.064 -0.250 -1.033 1.00 23.25 O ATOM 1894 CB ALA B 40 0.543 -1.009 -3.882 1.00 24.23 C ATOM 0 H ALA B 40 2.254 -2.624 -4.667 1.00 42.11 H new ATOM 0 HA ALA B 40 2.419 -0.008 -3.554 1.00 0.01 H new ATOM 0 HB1 ALA B 40 -0.046 -0.252 -3.364 1.00 24.23 H new ATOM 0 HB2 ALA B 40 0.545 -0.799 -4.952 1.00 24.23 H new ATOM 0 HB3 ALA B 40 0.106 -1.992 -3.707 1.00 24.23 H new ATOM 1900 N LEU B 41 1.989 -2.485 -1.413 1.00 34.32 N ATOM 1901 CA LEU B 41 2.159 -2.934 -0.010 1.00 63.45 C ATOM 1902 C LEU B 41 3.584 -2.570 0.512 1.00 62.44 C ATOM 1903 O LEU B 41 3.739 -2.111 1.652 1.00 44.30 O ATOM 1904 CB LEU B 41 1.823 -4.473 0.034 1.00 10.22 C ATOM 1905 CG LEU B 41 2.101 -5.333 1.326 1.00 42.32 C ATOM 1906 CD1 LEU B 41 3.540 -5.887 1.346 1.00 11.15 C ATOM 1907 CD2 LEU B 41 1.752 -4.575 2.630 1.00 31.55 C ATOM 0 H LEU B 41 1.849 -3.258 -2.064 1.00 34.32 H new ATOM 0 HA LEU B 41 1.478 -2.421 0.669 1.00 63.45 H new ATOM 0 HB2 LEU B 41 0.762 -4.574 -0.193 1.00 10.22 H new ATOM 0 HB3 LEU B 41 2.370 -4.942 -0.784 1.00 10.22 H new ATOM 0 HG LEU B 41 1.428 -6.189 1.281 1.00 42.32 H new ATOM 0 HD11 LEU B 41 3.691 -6.474 2.252 1.00 11.15 H new ATOM 0 HD12 LEU B 41 3.698 -6.520 0.473 1.00 11.15 H new ATOM 0 HD13 LEU B 41 4.249 -5.059 1.327 1.00 11.15 H new ATOM 0 HD21 LEU B 41 1.962 -5.212 3.489 1.00 31.55 H new ATOM 0 HD22 LEU B 41 2.353 -3.668 2.696 1.00 31.55 H new ATOM 0 HD23 LEU B 41 0.695 -4.310 2.625 1.00 31.55 H new ATOM 1919 N ALA B 42 4.604 -2.752 -0.347 1.00 42.20 N ATOM 1920 CA ALA B 42 6.011 -2.397 -0.031 1.00 32.24 C ATOM 1921 C ALA B 42 6.194 -0.866 0.173 1.00 21.10 C ATOM 1922 O ALA B 42 6.859 -0.431 1.117 1.00 10.21 O ATOM 1923 CB ALA B 42 6.941 -2.917 -1.136 1.00 23.34 C ATOM 0 H ALA B 42 4.482 -3.148 -1.279 1.00 42.20 H new ATOM 0 HA ALA B 42 6.275 -2.875 0.912 1.00 32.24 H new ATOM 0 HB1 ALA B 42 7.972 -2.653 -0.898 1.00 23.34 H new ATOM 0 HB2 ALA B 42 6.851 -4.001 -1.207 1.00 23.34 H new ATOM 0 HB3 ALA B 42 6.662 -2.466 -2.088 1.00 23.34 H new ATOM 1929 N VAL B 43 5.571 -0.057 -0.709 1.00 10.13 N ATOM 1930 CA VAL B 43 5.592 1.425 -0.606 1.00 62.21 C ATOM 1931 C VAL B 43 4.939 1.909 0.720 1.00 64.21 C ATOM 1932 O VAL B 43 5.351 2.924 1.271 1.00 51.24 O ATOM 1933 CB VAL B 43 4.892 2.112 -1.843 1.00 71.33 C ATOM 1934 CG1 VAL B 43 4.858 3.655 -1.705 1.00 33.35 C ATOM 1935 CG2 VAL B 43 5.569 1.710 -3.176 1.00 31.03 C ATOM 0 H VAL B 43 5.042 -0.405 -1.508 1.00 10.13 H new ATOM 0 HA VAL B 43 6.640 1.725 -0.606 1.00 62.21 H new ATOM 0 HB VAL B 43 3.863 1.752 -1.857 1.00 71.33 H new ATOM 0 HG11 VAL B 43 4.368 4.088 -2.577 1.00 33.35 H new ATOM 0 HG12 VAL B 43 4.305 3.928 -0.806 1.00 33.35 H new ATOM 0 HG13 VAL B 43 5.877 4.037 -1.635 1.00 33.35 H new ATOM 0 HG21 VAL B 43 5.060 2.202 -4.005 1.00 31.03 H new ATOM 0 HG22 VAL B 43 6.615 2.016 -3.159 1.00 31.03 H new ATOM 0 HG23 VAL B 43 5.509 0.629 -3.303 1.00 31.03 H new ATOM 1945 N GLY B 44 3.942 1.152 1.227 1.00 12.11 N ATOM 1946 CA GLY B 44 3.282 1.460 2.515 1.00 74.43 C ATOM 1947 C GLY B 44 4.228 1.460 3.739 1.00 23.41 C ATOM 1948 O GLY B 44 3.995 2.183 4.715 1.00 64.13 O ATOM 0 H GLY B 44 3.576 0.321 0.763 1.00 12.11 H new ATOM 0 HA2 GLY B 44 2.806 2.438 2.440 1.00 74.43 H new ATOM 0 HA3 GLY B 44 2.489 0.732 2.685 1.00 74.43 H new ATOM 1952 N TRP B 45 5.301 0.646 3.671 1.00 72.02 N ATOM 1953 CA TRP B 45 6.374 0.607 4.700 1.00 71.30 C ATOM 1954 C TRP B 45 7.273 1.871 4.619 1.00 2.51 C ATOM 1955 O TRP B 45 7.774 2.373 5.637 1.00 64.11 O ATOM 1956 CB TRP B 45 7.218 -0.675 4.512 1.00 14.15 C ATOM 1957 CG TRP B 45 8.334 -0.871 5.519 1.00 42.43 C ATOM 1958 CD1 TRP B 45 9.678 -0.688 5.320 1.00 11.21 C ATOM 1959 CD2 TRP B 45 8.191 -1.300 6.882 1.00 12.32 C ATOM 1960 NE1 TRP B 45 10.369 -1.003 6.460 1.00 52.40 N ATOM 1961 CE2 TRP B 45 9.482 -1.382 7.431 1.00 52.34 C ATOM 1962 CE3 TRP B 45 7.093 -1.634 7.686 1.00 61.02 C ATOM 1963 CZ2 TRP B 45 9.706 -1.788 8.742 1.00 41.02 C ATOM 1964 CZ3 TRP B 45 7.315 -2.035 8.987 1.00 32.23 C ATOM 1965 CH2 TRP B 45 8.614 -2.112 9.505 1.00 20.44 C ATOM 0 H TRP B 45 5.453 -0.006 2.902 1.00 72.02 H new ATOM 0 HA TRP B 45 5.914 0.594 5.688 1.00 71.30 H new ATOM 0 HB2 TRP B 45 6.553 -1.538 4.559 1.00 14.15 H new ATOM 0 HB3 TRP B 45 7.652 -0.661 3.512 1.00 14.15 H new ATOM 0 HD1 TRP B 45 10.126 -0.346 4.399 1.00 11.21 H new ATOM 0 HE1 TRP B 45 11.382 -0.962 6.568 1.00 52.40 H new ATOM 0 HE3 TRP B 45 6.089 -1.578 7.293 1.00 61.02 H new ATOM 0 HZ2 TRP B 45 10.706 -1.846 9.145 1.00 41.02 H new ATOM 0 HZ3 TRP B 45 6.475 -2.293 9.615 1.00 32.23 H new ATOM 0 HH2 TRP B 45 8.758 -2.433 10.526 1.00 20.44 H new ATOM 1976 N LEU B 46 7.475 2.370 3.392 1.00 12.34 N ATOM 1977 CA LEU B 46 8.198 3.635 3.143 1.00 33.44 C ATOM 1978 C LEU B 46 7.340 4.843 3.595 1.00 22.10 C ATOM 1979 O LEU B 46 7.851 5.793 4.174 1.00 1.44 O ATOM 1980 CB LEU B 46 8.571 3.739 1.641 1.00 35.05 C ATOM 1981 CG LEU B 46 9.419 2.555 1.079 1.00 22.31 C ATOM 1982 CD1 LEU B 46 9.660 2.698 -0.438 1.00 41.54 C ATOM 1983 CD2 LEU B 46 10.747 2.404 1.860 1.00 30.41 C ATOM 0 H LEU B 46 7.144 1.913 2.542 1.00 12.34 H new ATOM 0 HA LEU B 46 9.119 3.645 3.726 1.00 33.44 H new ATOM 0 HB2 LEU B 46 7.652 3.813 1.060 1.00 35.05 H new ATOM 0 HB3 LEU B 46 9.123 4.666 1.484 1.00 35.05 H new ATOM 0 HG LEU B 46 8.847 1.639 1.223 1.00 22.31 H new ATOM 0 HD11 LEU B 46 10.254 1.856 -0.793 1.00 41.54 H new ATOM 0 HD12 LEU B 46 8.703 2.712 -0.959 1.00 41.54 H new ATOM 0 HD13 LEU B 46 10.194 3.627 -0.636 1.00 41.54 H new ATOM 0 HD21 LEU B 46 11.319 1.572 1.448 1.00 30.41 H new ATOM 0 HD22 LEU B 46 11.328 3.322 1.772 1.00 30.41 H new ATOM 0 HD23 LEU B 46 10.531 2.211 2.911 1.00 30.41 H new ATOM 1995 N ALA B 47 6.021 4.772 3.321 1.00 21.03 N ATOM 1996 CA ALA B 47 5.020 5.770 3.765 1.00 34.13 C ATOM 1997 C ALA B 47 4.901 5.814 5.305 1.00 55.22 C ATOM 1998 O ALA B 47 4.637 6.878 5.874 1.00 73.33 O ATOM 1999 CB ALA B 47 3.653 5.471 3.120 1.00 1.10 C ATOM 0 H ALA B 47 5.614 4.011 2.778 1.00 21.03 H new ATOM 0 HA ALA B 47 5.358 6.754 3.439 1.00 34.13 H new ATOM 0 HB1 ALA B 47 2.924 6.210 3.453 1.00 1.10 H new ATOM 0 HB2 ALA B 47 3.745 5.515 2.035 1.00 1.10 H new ATOM 0 HB3 ALA B 47 3.321 4.476 3.416 1.00 1.10 H new ATOM 2005 N ARG B 48 5.112 4.650 5.966 1.00 33.02 N ATOM 2006 CA ARG B 48 5.227 4.558 7.444 1.00 12.01 C ATOM 2007 C ARG B 48 6.283 5.549 7.978 1.00 44.13 C ATOM 2008 O ARG B 48 6.013 6.367 8.858 1.00 4.32 O ATOM 2009 CB ARG B 48 5.647 3.115 7.848 1.00 22.12 C ATOM 2010 CG ARG B 48 5.927 2.915 9.358 1.00 2.41 C ATOM 2011 CD ARG B 48 6.551 1.552 9.694 1.00 5.20 C ATOM 2012 NE ARG B 48 7.990 1.496 9.370 1.00 13.15 N ATOM 2013 CZ ARG B 48 8.965 1.350 10.254 1.00 41.32 C ATOM 2014 NH1 ARG B 48 8.722 1.236 11.526 1.00 61.21 N ATOM 2015 NH2 ARG B 48 10.182 1.304 9.849 1.00 12.33 N ATOM 0 H ARG B 48 5.207 3.751 5.493 1.00 33.02 H new ATOM 0 HA ARG B 48 4.257 4.805 7.875 1.00 12.01 H new ATOM 0 HB2 ARG B 48 4.859 2.425 7.545 1.00 22.12 H new ATOM 0 HB3 ARG B 48 6.542 2.843 7.288 1.00 22.12 H new ATOM 0 HG2 ARG B 48 6.594 3.705 9.703 1.00 2.41 H new ATOM 0 HG3 ARG B 48 4.993 3.023 9.909 1.00 2.41 H new ATOM 0 HD2 ARG B 48 6.412 1.344 10.755 1.00 5.20 H new ATOM 0 HD3 ARG B 48 6.027 0.770 9.144 1.00 5.20 H new ATOM 0 HE ARG B 48 8.254 1.576 8.388 1.00 13.15 H new ATOM 0 HH11 ARG B 48 7.760 1.258 11.865 1.00 61.21 H new ATOM 0 HH12 ARG B 48 9.493 1.125 12.185 1.00 61.21 H new ATOM 0 HH21 ARG B 48 10.391 1.380 8.854 1.00 12.33 H new ATOM 0 HH22 ARG B 48 10.940 1.192 10.523 1.00 12.33 H new ATOM 2029 N GLU B 49 7.473 5.477 7.380 1.00 31.33 N ATOM 2030 CA GLU B 49 8.634 6.315 7.741 1.00 22.51 C ATOM 2031 C GLU B 49 8.583 7.694 7.041 1.00 72.21 C ATOM 2032 O GLU B 49 9.395 8.572 7.346 1.00 43.02 O ATOM 2033 CB GLU B 49 9.917 5.558 7.342 1.00 21.22 C ATOM 2034 CG GLU B 49 10.078 4.163 7.981 1.00 23.11 C ATOM 2035 CD GLU B 49 11.137 3.274 7.294 1.00 50.52 C ATOM 2036 OE1 GLU B 49 12.241 3.772 6.957 1.00 13.25 O ATOM 2037 OE2 GLU B 49 10.881 2.063 7.116 1.00 44.24 O ATOM 0 H GLU B 49 7.668 4.827 6.618 1.00 31.33 H new ATOM 0 HA GLU B 49 8.620 6.503 8.815 1.00 22.51 H new ATOM 0 HB2 GLU B 49 9.933 5.448 6.258 1.00 21.22 H new ATOM 0 HB3 GLU B 49 10.779 6.167 7.614 1.00 21.22 H new ATOM 0 HG2 GLU B 49 10.347 4.285 9.030 1.00 23.11 H new ATOM 0 HG3 GLU B 49 9.117 3.650 7.955 1.00 23.11 H new ATOM 2044 N ASN B 50 7.627 7.848 6.092 1.00 35.22 N ATOM 2045 CA ASN B 50 7.449 9.058 5.251 1.00 54.15 C ATOM 2046 C ASN B 50 8.678 9.318 4.330 1.00 73.40 C ATOM 2047 O ASN B 50 8.940 10.447 3.915 1.00 22.13 O ATOM 2048 CB ASN B 50 7.069 10.282 6.131 1.00 72.21 C ATOM 2049 CG ASN B 50 5.708 10.091 6.813 1.00 53.45 C ATOM 2050 OD1 ASN B 50 4.679 10.488 6.286 1.00 14.35 O ATOM 2051 ND2 ASN B 50 5.678 9.452 7.969 1.00 22.32 N ATOM 0 H ASN B 50 6.944 7.119 5.886 1.00 35.22 H new ATOM 0 HA ASN B 50 6.615 8.883 4.571 1.00 54.15 H new ATOM 0 HB2 ASN B 50 7.837 10.438 6.889 1.00 72.21 H new ATOM 0 HB3 ASN B 50 7.044 11.180 5.514 1.00 72.21 H new ATOM 0 HD21 ASN B 50 4.787 9.283 8.435 1.00 22.32 H new ATOM 0 HD22 ASN B 50 6.546 9.127 8.395 1.00 22.32 H new ATOM 2058 N LYS B 51 9.352 8.210 3.951 1.00 13.14 N ATOM 2059 CA LYS B 51 10.508 8.180 3.013 1.00 31.22 C ATOM 2060 C LYS B 51 10.111 8.511 1.551 1.00 5.32 C ATOM 2061 O LYS B 51 10.980 8.689 0.686 1.00 64.35 O ATOM 2062 CB LYS B 51 11.146 6.764 3.060 1.00 32.21 C ATOM 2063 CG LYS B 51 11.671 6.355 4.450 1.00 11.13 C ATOM 2064 CD LYS B 51 13.051 6.959 4.798 1.00 35.04 C ATOM 2065 CE LYS B 51 14.210 6.183 4.147 1.00 53.31 C ATOM 2066 NZ LYS B 51 14.319 4.798 4.695 1.00 55.12 N ATOM 0 H LYS B 51 9.104 7.283 4.296 1.00 13.14 H new ATOM 0 HA LYS B 51 11.212 8.948 3.333 1.00 31.22 H new ATOM 0 HB2 LYS B 51 10.406 6.033 2.734 1.00 32.21 H new ATOM 0 HB3 LYS B 51 11.969 6.725 2.347 1.00 32.21 H new ATOM 0 HG2 LYS B 51 10.949 6.663 5.206 1.00 11.13 H new ATOM 0 HG3 LYS B 51 11.738 5.268 4.497 1.00 11.13 H new ATOM 0 HD2 LYS B 51 13.083 7.998 4.470 1.00 35.04 H new ATOM 0 HD3 LYS B 51 13.181 6.962 5.880 1.00 35.04 H new ATOM 0 HE2 LYS B 51 14.058 6.138 3.069 1.00 53.31 H new ATOM 0 HE3 LYS B 51 15.146 6.716 4.315 1.00 53.31 H new ATOM 0 HZ1 LYS B 51 15.260 4.665 5.117 1.00 55.12 H new ATOM 0 HZ2 LYS B 51 13.590 4.654 5.422 1.00 55.12 H new ATOM 0 HZ3 LYS B 51 14.183 4.109 3.928 1.00 55.12 H new ATOM 2080 N VAL B 52 8.795 8.577 1.292 1.00 34.14 N ATOM 2081 CA VAL B 52 8.227 8.816 -0.046 1.00 73.04 C ATOM 2082 C VAL B 52 7.186 9.962 -0.017 1.00 14.44 C ATOM 2083 O VAL B 52 6.520 10.195 1.002 1.00 51.45 O ATOM 2084 CB VAL B 52 7.573 7.501 -0.630 1.00 1.25 C ATOM 2085 CG1 VAL B 52 8.657 6.451 -0.978 1.00 60.43 C ATOM 2086 CG2 VAL B 52 6.529 6.903 0.348 1.00 12.51 C ATOM 0 H VAL B 52 8.085 8.464 2.016 1.00 34.14 H new ATOM 0 HA VAL B 52 9.047 9.114 -0.699 1.00 73.04 H new ATOM 0 HB VAL B 52 7.052 7.775 -1.547 1.00 1.25 H new ATOM 0 HG11 VAL B 52 8.181 5.556 -1.378 1.00 60.43 H new ATOM 0 HG12 VAL B 52 9.338 6.864 -1.723 1.00 60.43 H new ATOM 0 HG13 VAL B 52 9.216 6.194 -0.079 1.00 60.43 H new ATOM 0 HG21 VAL B 52 6.100 6.000 -0.086 1.00 12.51 H new ATOM 0 HG22 VAL B 52 7.014 6.657 1.292 1.00 12.51 H new ATOM 0 HG23 VAL B 52 5.738 7.632 0.526 1.00 12.51 H new ATOM 2096 N VAL B 53 7.071 10.676 -1.150 1.00 34.35 N ATOM 2097 CA VAL B 53 6.065 11.741 -1.358 1.00 10.25 C ATOM 2098 C VAL B 53 4.809 11.139 -2.032 1.00 24.13 C ATOM 2099 O VAL B 53 4.921 10.459 -3.052 1.00 42.24 O ATOM 2100 CB VAL B 53 6.653 12.907 -2.243 1.00 33.14 C ATOM 2101 CG1 VAL B 53 5.611 14.033 -2.512 1.00 41.14 C ATOM 2102 CG2 VAL B 53 7.951 13.479 -1.611 1.00 51.14 C ATOM 0 H VAL B 53 7.678 10.531 -1.957 1.00 34.35 H new ATOM 0 HA VAL B 53 5.792 12.159 -0.389 1.00 10.25 H new ATOM 0 HB VAL B 53 6.904 12.478 -3.213 1.00 33.14 H new ATOM 0 HG11 VAL B 53 6.066 14.811 -3.125 1.00 41.14 H new ATOM 0 HG12 VAL B 53 4.751 13.615 -3.035 1.00 41.14 H new ATOM 0 HG13 VAL B 53 5.286 14.462 -1.564 1.00 41.14 H new ATOM 0 HG21 VAL B 53 8.338 14.282 -2.239 1.00 51.14 H new ATOM 0 HG22 VAL B 53 7.730 13.870 -0.618 1.00 51.14 H new ATOM 0 HG23 VAL B 53 8.697 12.688 -1.533 1.00 51.14 H new ATOM 2112 N ILE B 54 3.619 11.403 -1.460 1.00 15.25 N ATOM 2113 CA ILE B 54 2.334 10.843 -1.940 1.00 62.43 C ATOM 2114 C ILE B 54 1.571 11.964 -2.659 1.00 73.23 C ATOM 2115 O ILE B 54 1.286 13.008 -2.060 1.00 33.33 O ATOM 2116 CB ILE B 54 1.454 10.228 -0.759 1.00 64.24 C ATOM 2117 CG1 ILE B 54 1.982 8.818 -0.307 1.00 52.21 C ATOM 2118 CG2 ILE B 54 -0.059 10.143 -1.129 1.00 73.41 C ATOM 2119 CD1 ILE B 54 3.375 8.787 0.289 1.00 15.35 C ATOM 0 H ILE B 54 3.518 12.013 -0.649 1.00 15.25 H new ATOM 0 HA ILE B 54 2.541 10.017 -2.620 1.00 62.43 H new ATOM 0 HB ILE B 54 1.555 10.917 0.080 1.00 64.24 H new ATOM 0 HG12 ILE B 54 1.286 8.410 0.426 1.00 52.21 H new ATOM 0 HG13 ILE B 54 1.963 8.152 -1.170 1.00 52.21 H new ATOM 0 HG21 ILE B 54 -0.615 9.718 -0.293 1.00 73.41 H new ATOM 0 HG22 ILE B 54 -0.437 11.142 -1.346 1.00 73.41 H new ATOM 0 HG23 ILE B 54 -0.184 9.509 -2.007 1.00 73.41 H new ATOM 0 HD11 ILE B 54 3.631 7.763 0.563 1.00 15.35 H new ATOM 0 HD12 ILE B 54 4.092 9.157 -0.444 1.00 15.35 H new ATOM 0 HD13 ILE B 54 3.405 9.419 1.177 1.00 15.35 H new ATOM 2131 N GLU B 55 1.259 11.750 -3.940 1.00 73.04 N ATOM 2132 CA GLU B 55 0.575 12.746 -4.780 1.00 21.13 C ATOM 2133 C GLU B 55 -0.503 12.071 -5.646 1.00 2.32 C ATOM 2134 O GLU B 55 -0.481 10.861 -5.833 1.00 30.42 O ATOM 2135 CB GLU B 55 1.628 13.466 -5.671 1.00 23.25 C ATOM 2136 CG GLU B 55 1.137 14.730 -6.386 1.00 33.12 C ATOM 2137 CD GLU B 55 0.602 15.804 -5.430 1.00 33.20 C ATOM 2138 OE1 GLU B 55 1.407 16.603 -4.915 1.00 41.11 O ATOM 2139 OE2 GLU B 55 -0.622 15.823 -5.147 1.00 25.04 O ATOM 0 H GLU B 55 1.473 10.880 -4.428 1.00 73.04 H new ATOM 0 HA GLU B 55 0.079 13.480 -4.145 1.00 21.13 H new ATOM 0 HB2 GLU B 55 2.483 13.731 -5.050 1.00 23.25 H new ATOM 0 HB3 GLU B 55 1.985 12.761 -6.422 1.00 23.25 H new ATOM 0 HG2 GLU B 55 1.957 15.150 -6.969 1.00 33.12 H new ATOM 0 HG3 GLU B 55 0.351 14.458 -7.090 1.00 33.12 H new ATOM 2146 N ARG B 56 -1.483 12.853 -6.117 1.00 15.01 N ATOM 2147 CA ARG B 56 -2.443 12.407 -7.148 1.00 25.14 C ATOM 2148 C ARG B 56 -2.328 13.296 -8.406 1.00 41.05 C ATOM 2149 O ARG B 56 -2.632 14.491 -8.364 1.00 10.35 O ATOM 2150 CB ARG B 56 -3.891 12.384 -6.588 1.00 23.53 C ATOM 2151 CG ARG B 56 -4.144 11.273 -5.536 1.00 13.01 C ATOM 2152 CD ARG B 56 -5.586 11.281 -5.000 1.00 64.44 C ATOM 2153 NE ARG B 56 -5.830 10.173 -4.047 1.00 41.22 N ATOM 2154 CZ ARG B 56 -6.494 10.273 -2.908 1.00 64.11 C ATOM 2155 NH1 ARG B 56 -6.892 11.429 -2.459 1.00 63.25 N ATOM 2156 NH2 ARG B 56 -6.730 9.209 -2.205 1.00 60.23 N ATOM 0 H ARG B 56 -1.637 13.810 -5.799 1.00 15.01 H new ATOM 0 HA ARG B 56 -2.196 11.385 -7.437 1.00 25.14 H new ATOM 0 HB2 ARG B 56 -4.111 13.352 -6.138 1.00 23.53 H new ATOM 0 HB3 ARG B 56 -4.587 12.251 -7.416 1.00 23.53 H new ATOM 0 HG2 ARG B 56 -3.932 10.301 -5.982 1.00 13.01 H new ATOM 0 HG3 ARG B 56 -3.451 11.401 -4.705 1.00 13.01 H new ATOM 0 HD2 ARG B 56 -5.784 12.233 -4.508 1.00 64.44 H new ATOM 0 HD3 ARG B 56 -6.283 11.202 -5.834 1.00 64.44 H new ATOM 0 HE ARG B 56 -5.454 9.256 -4.290 1.00 41.22 H new ATOM 0 HH11 ARG B 56 -6.693 12.278 -2.988 1.00 63.25 H new ATOM 0 HH12 ARG B 56 -7.403 11.485 -1.578 1.00 63.25 H new ATOM 0 HH21 ARG B 56 -6.404 8.299 -2.531 1.00 60.23 H new ATOM 0 HH22 ARG B 56 -7.242 9.282 -1.326 1.00 60.23 H new ATOM 2170 N LYS B 57 -1.880 12.694 -9.520 1.00 61.50 N ATOM 2171 CA LYS B 57 -1.807 13.349 -10.839 1.00 41.52 C ATOM 2172 C LYS B 57 -3.002 12.867 -11.697 1.00 4.23 C ATOM 2173 O LYS B 57 -3.021 11.717 -12.143 1.00 0.44 O ATOM 2174 CB LYS B 57 -0.449 13.007 -11.553 1.00 13.14 C ATOM 2175 CG LYS B 57 0.628 14.119 -11.538 1.00 3.11 C ATOM 2176 CD LYS B 57 1.205 14.449 -10.142 1.00 24.14 C ATOM 2177 CE LYS B 57 2.337 15.500 -10.225 1.00 20.14 C ATOM 2178 NZ LYS B 57 2.988 15.735 -8.911 1.00 74.34 N ATOM 0 H LYS B 57 -1.554 11.727 -9.531 1.00 61.50 H new ATOM 0 HA LYS B 57 -1.854 14.431 -10.712 1.00 41.52 H new ATOM 0 HB2 LYS B 57 -0.030 12.117 -11.084 1.00 13.14 H new ATOM 0 HB3 LYS B 57 -0.662 12.750 -12.591 1.00 13.14 H new ATOM 0 HG2 LYS B 57 1.447 13.820 -12.192 1.00 3.11 H new ATOM 0 HG3 LYS B 57 0.198 15.027 -11.961 1.00 3.11 H new ATOM 0 HD2 LYS B 57 0.409 14.822 -9.498 1.00 24.14 H new ATOM 0 HD3 LYS B 57 1.587 13.538 -9.681 1.00 24.14 H new ATOM 0 HE2 LYS B 57 3.086 15.168 -10.944 1.00 20.14 H new ATOM 0 HE3 LYS B 57 1.930 16.439 -10.599 1.00 20.14 H new ATOM 0 HZ1 LYS B 57 3.869 16.270 -9.051 1.00 74.34 H new ATOM 0 HZ2 LYS B 57 2.347 16.278 -8.298 1.00 74.34 H new ATOM 0 HZ3 LYS B 57 3.204 14.822 -8.463 1.00 74.34 H new ATOM 2192 N ASN B 58 -3.994 13.766 -11.907 1.00 43.22 N ATOM 2193 CA ASN B 58 -5.268 13.466 -12.624 1.00 61.31 C ATOM 2194 C ASN B 58 -6.051 12.301 -11.951 1.00 14.12 C ATOM 2195 O ASN B 58 -6.774 11.551 -12.614 1.00 51.20 O ATOM 2196 CB ASN B 58 -4.996 13.185 -14.132 1.00 12.22 C ATOM 2197 CG ASN B 58 -4.263 14.342 -14.819 1.00 23.11 C ATOM 2198 OD1 ASN B 58 -4.879 15.264 -15.341 1.00 63.54 O ATOM 2199 ND2 ASN B 58 -2.943 14.306 -14.819 1.00 24.54 N ATOM 0 H ASN B 58 -3.936 14.731 -11.582 1.00 43.22 H new ATOM 0 HA ASN B 58 -5.905 14.348 -12.557 1.00 61.31 H new ATOM 0 HB2 ASN B 58 -4.404 12.275 -14.228 1.00 12.22 H new ATOM 0 HB3 ASN B 58 -5.942 13.004 -14.642 1.00 12.22 H new ATOM 0 HD21 ASN B 58 -2.412 15.057 -15.260 1.00 24.54 H new ATOM 0 HD22 ASN B 58 -2.454 13.527 -14.378 1.00 24.54 H new ATOM 2206 N GLY B 59 -5.918 12.196 -10.610 1.00 10.14 N ATOM 2207 CA GLY B 59 -6.533 11.110 -9.823 1.00 62.41 C ATOM 2208 C GLY B 59 -5.604 9.902 -9.598 1.00 12.43 C ATOM 2209 O GLY B 59 -5.790 9.138 -8.645 1.00 45.34 O ATOM 0 H GLY B 59 -5.384 12.859 -10.048 1.00 10.14 H new ATOM 0 HA2 GLY B 59 -6.841 11.505 -8.855 1.00 62.41 H new ATOM 0 HA3 GLY B 59 -7.436 10.772 -10.331 1.00 62.41 H new ATOM 2213 N LEU B 60 -4.592 9.742 -10.473 1.00 42.53 N ATOM 2214 CA LEU B 60 -3.656 8.588 -10.441 1.00 25.53 C ATOM 2215 C LEU B 60 -2.628 8.732 -9.292 1.00 62.41 C ATOM 2216 O LEU B 60 -2.085 9.818 -9.072 1.00 62.02 O ATOM 2217 CB LEU B 60 -2.930 8.470 -11.812 1.00 41.13 C ATOM 2218 CG LEU B 60 -3.859 8.348 -13.066 1.00 13.35 C ATOM 2219 CD1 LEU B 60 -3.032 8.315 -14.371 1.00 12.05 C ATOM 2220 CD2 LEU B 60 -4.801 7.124 -12.959 1.00 50.44 C ATOM 0 H LEU B 60 -4.396 10.405 -11.223 1.00 42.53 H new ATOM 0 HA LEU B 60 -4.229 7.679 -10.257 1.00 25.53 H new ATOM 0 HB2 LEU B 60 -2.291 9.344 -11.940 1.00 41.13 H new ATOM 0 HB3 LEU B 60 -2.276 7.599 -11.782 1.00 41.13 H new ATOM 0 HG LEU B 60 -4.489 9.237 -13.097 1.00 13.35 H new ATOM 0 HD11 LEU B 60 -3.704 8.230 -15.225 1.00 12.05 H new ATOM 0 HD12 LEU B 60 -2.451 9.233 -14.457 1.00 12.05 H new ATOM 0 HD13 LEU B 60 -2.358 7.459 -14.353 1.00 12.05 H new ATOM 0 HD21 LEU B 60 -5.431 7.071 -13.847 1.00 50.44 H new ATOM 0 HD22 LEU B 60 -4.207 6.213 -12.881 1.00 50.44 H new ATOM 0 HD23 LEU B 60 -5.429 7.225 -12.074 1.00 50.44 H new ATOM 2232 N ILE B 61 -2.368 7.625 -8.568 1.00 10.10 N ATOM 2233 CA ILE B 61 -1.491 7.636 -7.376 1.00 60.44 C ATOM 2234 C ILE B 61 0.006 7.672 -7.802 1.00 2.55 C ATOM 2235 O ILE B 61 0.507 6.756 -8.462 1.00 52.40 O ATOM 2236 CB ILE B 61 -1.758 6.419 -6.384 1.00 41.32 C ATOM 2237 CG1 ILE B 61 -3.226 6.433 -5.806 1.00 3.13 C ATOM 2238 CG2 ILE B 61 -0.732 6.423 -5.213 1.00 52.03 C ATOM 2239 CD1 ILE B 61 -4.336 6.085 -6.783 1.00 11.23 C ATOM 0 H ILE B 61 -2.754 6.707 -8.788 1.00 10.10 H new ATOM 0 HA ILE B 61 -1.735 8.543 -6.823 1.00 60.44 H new ATOM 0 HB ILE B 61 -1.636 5.506 -6.967 1.00 41.32 H new ATOM 0 HG12 ILE B 61 -3.272 5.733 -4.972 1.00 3.13 H new ATOM 0 HG13 ILE B 61 -3.425 7.425 -5.401 1.00 3.13 H new ATOM 0 HG21 ILE B 61 -0.935 5.583 -4.549 1.00 52.03 H new ATOM 0 HG22 ILE B 61 0.278 6.334 -5.614 1.00 52.03 H new ATOM 0 HG23 ILE B 61 -0.820 7.355 -4.655 1.00 52.03 H new ATOM 0 HD11 ILE B 61 -5.298 6.128 -6.272 1.00 11.23 H new ATOM 0 HD12 ILE B 61 -4.332 6.798 -7.608 1.00 11.23 H new ATOM 0 HD13 ILE B 61 -4.176 5.079 -7.172 1.00 11.23 H new ATOM 2251 N GLU B 62 0.682 8.759 -7.407 1.00 61.53 N ATOM 2252 CA GLU B 62 2.106 9.026 -7.677 1.00 61.43 C ATOM 2253 C GLU B 62 2.935 8.878 -6.390 1.00 40.31 C ATOM 2254 O GLU B 62 2.489 9.262 -5.303 1.00 52.42 O ATOM 2255 CB GLU B 62 2.264 10.468 -8.231 1.00 13.32 C ATOM 2256 CG GLU B 62 1.781 10.656 -9.678 1.00 73.20 C ATOM 2257 CD GLU B 62 2.687 9.961 -10.711 1.00 14.31 C ATOM 2258 OE1 GLU B 62 3.824 10.444 -10.928 1.00 21.41 O ATOM 2259 OE2 GLU B 62 2.269 8.946 -11.311 1.00 3.22 O ATOM 0 H GLU B 62 0.239 9.505 -6.871 1.00 61.53 H new ATOM 0 HA GLU B 62 2.466 8.305 -8.411 1.00 61.43 H new ATOM 0 HB2 GLU B 62 1.713 11.153 -7.586 1.00 13.32 H new ATOM 0 HB3 GLU B 62 3.315 10.752 -8.173 1.00 13.32 H new ATOM 0 HG2 GLU B 62 0.768 10.265 -9.770 1.00 73.20 H new ATOM 0 HG3 GLU B 62 1.733 11.721 -9.904 1.00 73.20 H new ATOM 2266 N ILE B 63 4.153 8.332 -6.529 1.00 12.00 N ATOM 2267 CA ILE B 63 5.097 8.150 -5.412 1.00 74.44 C ATOM 2268 C ILE B 63 6.528 8.628 -5.800 1.00 14.50 C ATOM 2269 O ILE B 63 7.108 8.196 -6.796 1.00 75.02 O ATOM 2270 CB ILE B 63 5.062 6.654 -4.855 1.00 61.41 C ATOM 2271 CG1 ILE B 63 4.909 5.559 -5.990 1.00 73.23 C ATOM 2272 CG2 ILE B 63 3.922 6.493 -3.812 1.00 23.14 C ATOM 2273 CD1 ILE B 63 6.133 5.290 -6.847 1.00 40.43 C ATOM 0 H ILE B 63 4.514 8.002 -7.424 1.00 12.00 H new ATOM 0 HA ILE B 63 4.776 8.785 -4.587 1.00 74.44 H new ATOM 0 HB ILE B 63 6.030 6.484 -4.384 1.00 61.41 H new ATOM 0 HG12 ILE B 63 4.610 4.622 -5.521 1.00 73.23 H new ATOM 0 HG13 ILE B 63 4.093 5.861 -6.647 1.00 73.23 H new ATOM 0 HG21 ILE B 63 3.910 5.468 -3.441 1.00 23.14 H new ATOM 0 HG22 ILE B 63 4.090 7.178 -2.981 1.00 23.14 H new ATOM 0 HG23 ILE B 63 2.965 6.720 -4.281 1.00 23.14 H new ATOM 0 HD11 ILE B 63 5.899 4.522 -7.585 1.00 40.43 H new ATOM 0 HD12 ILE B 63 6.428 6.206 -7.358 1.00 40.43 H new ATOM 0 HD13 ILE B 63 6.952 4.948 -6.214 1.00 40.43 H new ATOM 2285 N TYR B 64 7.058 9.580 -5.015 1.00 12.44 N ATOM 2286 CA TYR B 64 8.391 10.193 -5.243 1.00 40.13 C ATOM 2287 C TYR B 64 9.342 9.851 -4.081 1.00 22.44 C ATOM 2288 O TYR B 64 8.923 9.284 -3.080 1.00 33.04 O ATOM 2289 CB TYR B 64 8.255 11.737 -5.394 1.00 53.14 C ATOM 2290 CG TYR B 64 7.219 12.165 -6.443 1.00 31.44 C ATOM 2291 CD1 TYR B 64 7.555 12.262 -7.793 1.00 1.53 C ATOM 2292 CD2 TYR B 64 5.894 12.431 -6.084 1.00 75.25 C ATOM 2293 CE1 TYR B 64 6.609 12.603 -8.741 1.00 2.02 C ATOM 2294 CE2 TYR B 64 4.955 12.781 -7.027 1.00 51.23 C ATOM 2295 CZ TYR B 64 5.312 12.857 -8.352 1.00 52.25 C ATOM 2296 OH TYR B 64 4.362 13.178 -9.295 1.00 15.45 O ATOM 0 H TYR B 64 6.576 9.953 -4.197 1.00 12.44 H new ATOM 0 HA TYR B 64 8.809 9.788 -6.165 1.00 40.13 H new ATOM 0 HB2 TYR B 64 7.981 12.165 -4.430 1.00 53.14 H new ATOM 0 HB3 TYR B 64 9.225 12.154 -5.663 1.00 53.14 H new ATOM 0 HD1 TYR B 64 8.571 12.067 -8.103 1.00 1.53 H new ATOM 0 HD2 TYR B 64 5.602 12.360 -5.047 1.00 75.25 H new ATOM 0 HE1 TYR B 64 6.885 12.670 -9.783 1.00 2.02 H new ATOM 0 HE2 TYR B 64 3.940 12.995 -6.727 1.00 51.23 H new ATOM 0 HH TYR B 64 4.152 12.385 -9.831 1.00 15.45 H new ATOM 2306 N ASN B 65 10.630 10.181 -4.228 1.00 21.41 N ATOM 2307 CA ASN B 65 11.644 9.989 -3.159 1.00 20.22 C ATOM 2308 C ASN B 65 11.918 11.339 -2.441 1.00 22.20 C ATOM 2309 O ASN B 65 11.734 12.409 -3.032 1.00 44.42 O ATOM 2310 CB ASN B 65 12.934 9.399 -3.803 1.00 0.11 C ATOM 2311 CG ASN B 65 13.940 8.807 -2.805 1.00 75.44 C ATOM 2312 OD1 ASN B 65 14.116 9.289 -1.697 1.00 23.00 O ATOM 2313 ND2 ASN B 65 14.591 7.732 -3.182 1.00 42.33 N ATOM 0 H ASN B 65 11.008 10.588 -5.084 1.00 21.41 H new ATOM 0 HA ASN B 65 11.281 9.291 -2.404 1.00 20.22 H new ATOM 0 HB2 ASN B 65 12.647 8.622 -4.512 1.00 0.11 H new ATOM 0 HB3 ASN B 65 13.430 10.184 -4.374 1.00 0.11 H new ATOM 0 HD21 ASN B 65 15.254 7.288 -2.547 1.00 42.33 H new ATOM 0 HD22 ASN B 65 14.434 7.340 -4.111 1.00 42.33 H new ATOM 2320 N GLU B 66 12.347 11.291 -1.162 1.00 34.12 N ATOM 2321 CA GLU B 66 12.785 12.504 -0.419 1.00 21.24 C ATOM 2322 C GLU B 66 14.104 13.082 -0.990 1.00 22.33 C ATOM 2323 O GLU B 66 14.343 14.292 -0.913 1.00 14.31 O ATOM 2324 CB GLU B 66 12.954 12.210 1.089 1.00 4.13 C ATOM 2325 CG GLU B 66 11.648 11.891 1.833 1.00 23.14 C ATOM 2326 CD GLU B 66 11.857 11.757 3.352 1.00 61.35 C ATOM 2327 OE1 GLU B 66 12.464 10.756 3.791 1.00 5.23 O ATOM 2328 OE2 GLU B 66 11.458 12.671 4.108 1.00 0.55 O ATOM 0 H GLU B 66 12.401 10.430 -0.618 1.00 34.12 H new ATOM 0 HA GLU B 66 12.000 13.249 -0.546 1.00 21.24 H new ATOM 0 HB2 GLU B 66 13.638 11.369 1.207 1.00 4.13 H new ATOM 0 HB3 GLU B 66 13.424 13.072 1.562 1.00 4.13 H new ATOM 0 HG2 GLU B 66 10.920 12.678 1.637 1.00 23.14 H new ATOM 0 HG3 GLU B 66 11.228 10.964 1.443 1.00 23.14 H new