USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= 0.34 K(o=1,f=-11!) USER MOD Set 1.2: A 70 THR OG1 : rot -160:sc= 0.672 USER MOD Set 2.1: A 29 THR OG1 : rot -38:sc= 1.23 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 33 GLN : amide:sc= 1.74 K(o=3,f=-4.3!) USER MOD Set 3.1: A 10 TYR OH : rot -7:sc= 1.6 USER MOD Set 3.2: A 12 TYR OH : rot 180:sc= 0.875 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00379 USER MOD Single : A 7 GLN : amide:sc= -0.155 K(o=-0.15,f=-3.8!) USER MOD Single : A 11 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.67) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -2.68! F(o=-3.6,f=-2.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 41 THR OG1 : rot -24:sc= 0.0487 USER MOD Single : A 45 HIS : no HD1:sc= -1 K(o=-1,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.555) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.876 K(o=-0.88,f=-2.2) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.0844 (180deg=-0.55) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.978 0.608 0.134 1.00 62.14 N ATOM 2 CA GLY A 1 2.751 0.085 -0.442 1.00 72.30 C ATOM 3 C GLY A 1 2.260 0.918 -1.610 1.00 22.14 C ATOM 4 O GLY A 1 3.052 1.359 -2.445 1.00 61.32 O ATOM 0 H1 GLY A 1 4.273 0.005 0.928 1.00 62.14 H new ATOM 0 H2 GLY A 1 4.725 0.618 -0.590 1.00 62.14 H new ATOM 0 H3 GLY A 1 3.815 1.576 0.476 1.00 62.14 H new ATOM 0 HA2 GLY A 1 2.917 -0.940 -0.774 1.00 72.30 H new ATOM 0 HA3 GLY A 1 1.978 0.050 0.326 1.00 72.30 H new ATOM 10 N THR A 2 0.950 1.131 -1.673 1.00 31.43 N ATOM 11 CA THR A 2 0.353 1.913 -2.749 1.00 21.31 C ATOM 12 C THR A 2 0.186 3.371 -2.341 1.00 71.43 C ATOM 13 O THR A 2 0.170 3.713 -1.159 1.00 32.13 O ATOM 14 CB THR A 2 -1.018 1.345 -3.161 1.00 31.02 C ATOM 15 OG1 THR A 2 -1.669 0.762 -2.026 1.00 74.52 O ATOM 16 CG2 THR A 2 -0.865 0.301 -4.256 1.00 63.13 C ATOM 0 H THR A 2 0.281 0.773 -0.991 1.00 31.43 H new ATOM 0 HA THR A 2 1.033 1.853 -3.599 1.00 21.31 H new ATOM 0 HB THR A 2 -1.625 2.165 -3.545 1.00 31.02 H new ATOM 0 HG1 THR A 2 -2.541 0.405 -2.297 1.00 74.52 H new ATOM 0 HG21 THR A 2 -1.847 -0.085 -4.530 1.00 63.13 H new ATOM 0 HG22 THR A 2 -0.397 0.756 -5.129 1.00 63.13 H new ATOM 0 HG23 THR A 2 -0.241 -0.517 -3.895 1.00 63.13 H new ATOM 24 N PRO A 3 0.055 4.256 -3.341 1.00 22.24 N ATOM 25 CA PRO A 3 -0.115 5.693 -3.110 1.00 51.53 C ATOM 26 C PRO A 3 -1.477 6.025 -2.508 1.00 21.02 C ATOM 27 O PRO A 3 -2.478 5.382 -2.820 1.00 25.42 O ATOM 28 CB PRO A 3 0.011 6.295 -4.512 1.00 52.33 C ATOM 29 CG PRO A 3 -0.385 5.194 -5.434 1.00 61.01 C ATOM 30 CD PRO A 3 0.064 3.920 -4.776 1.00 71.24 C ATOM 0 HA PRO A 3 0.613 6.081 -2.398 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.638 7.163 -4.630 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.030 6.629 -4.709 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.463 5.190 -5.597 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.084 5.315 -6.410 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.610 3.093 -4.999 1.00 71.24 H new ATOM 0 HD3 PRO A 3 1.057 3.622 -5.113 1.00 71.24 H new ATOM 38 N SER A 4 -1.506 7.037 -1.646 1.00 53.30 N ATOM 39 CA SER A 4 -2.743 7.452 -0.997 1.00 1.23 C ATOM 40 C SER A 4 -2.731 8.952 -0.714 1.00 70.21 C ATOM 41 O SER A 4 -1.728 9.628 -0.938 1.00 72.45 O ATOM 42 CB SER A 4 -2.948 6.677 0.306 1.00 45.22 C ATOM 43 OG SER A 4 -3.013 5.282 0.065 1.00 21.10 O ATOM 0 H SER A 4 -0.687 7.584 -1.381 1.00 53.30 H new ATOM 0 HA SER A 4 -3.569 7.233 -1.673 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.130 6.893 0.994 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.867 7.009 0.789 1.00 45.22 H new ATOM 0 HG SER A 4 -3.143 4.809 0.914 1.00 21.10 H new ATOM 49 N ALA A 5 -3.853 9.463 -0.218 1.00 44.51 N ATOM 50 CA ALA A 5 -3.972 10.882 0.098 1.00 71.53 C ATOM 51 C ALA A 5 -2.886 11.318 1.076 1.00 64.50 C ATOM 52 O ALA A 5 -2.521 12.492 1.128 1.00 75.23 O ATOM 53 CB ALA A 5 -5.351 11.181 0.669 1.00 50.33 C ATOM 0 H ALA A 5 -4.692 8.916 -0.026 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.842 11.448 -0.825 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.426 12.243 0.901 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.113 10.914 -0.063 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.502 10.600 1.579 1.00 50.33 H new ATOM 59 N ASP A 6 -2.374 10.366 1.849 1.00 73.12 N ATOM 60 CA ASP A 6 -1.330 10.653 2.824 1.00 73.34 C ATOM 61 C ASP A 6 -0.019 11.009 2.129 1.00 50.31 C ATOM 62 O ASP A 6 0.826 11.701 2.695 1.00 61.44 O ATOM 63 CB ASP A 6 -1.122 9.452 3.747 1.00 32.21 C ATOM 64 CG ASP A 6 -0.455 9.836 5.054 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.760 10.927 5.578 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.374 9.046 5.552 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.666 9.389 1.819 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.648 11.509 3.419 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.085 8.987 3.957 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.513 8.706 3.237 1.00 32.21 H new ATOM 71 N GLN A 7 0.141 10.531 0.900 1.00 61.34 N ATOM 72 CA GLN A 7 1.350 10.796 0.128 1.00 33.32 C ATOM 73 C GLN A 7 1.344 12.221 -0.416 1.00 30.12 C ATOM 74 O GLN A 7 2.399 12.823 -0.622 1.00 65.14 O ATOM 75 CB GLN A 7 1.475 9.797 -1.023 1.00 3.44 C ATOM 76 CG GLN A 7 1.991 8.434 -0.593 1.00 3.33 C ATOM 77 CD GLN A 7 3.502 8.332 -0.664 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.175 9.249 -1.134 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.043 7.212 -0.198 1.00 43.14 N ATOM 0 H GLN A 7 -0.551 9.958 0.417 1.00 61.34 H new ATOM 0 HA GLN A 7 2.208 10.683 0.791 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.500 9.675 -1.494 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.145 10.208 -1.778 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.665 8.232 0.427 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.549 7.666 -1.227 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.446 6.478 0.183 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.055 7.086 -0.221 1.00 43.14 H new ATOM 88 N VAL A 8 0.150 12.754 -0.651 1.00 11.23 N ATOM 89 CA VAL A 8 0.007 14.110 -1.172 1.00 70.32 C ATOM 90 C VAL A 8 -0.188 15.114 -0.044 1.00 51.41 C ATOM 91 O VAL A 8 -0.696 16.215 -0.259 1.00 2.43 O ATOM 92 CB VAL A 8 -1.180 14.213 -2.149 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.924 13.374 -3.391 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.470 13.788 -1.464 1.00 21.21 C ATOM 0 H VAL A 8 -0.733 12.269 -0.489 1.00 11.23 H new ATOM 0 HA VAL A 8 0.928 14.343 -1.706 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.285 15.253 -2.459 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.773 13.459 -4.069 1.00 70.42 H new ATOM 0 HG12 VAL A 8 -0.023 13.730 -3.891 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.792 12.331 -3.104 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.299 13.867 -2.168 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.379 12.756 -1.125 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.658 14.436 -0.608 1.00 21.21 H new ATOM 104 N ARG A 9 0.220 14.729 1.162 1.00 23.24 N ATOM 105 CA ARG A 9 0.089 15.598 2.325 1.00 13.23 C ATOM 106 C ARG A 9 1.108 16.731 2.275 1.00 52.15 C ATOM 107 O ARG A 9 1.874 16.850 1.319 1.00 24.40 O ATOM 108 CB ARG A 9 0.269 14.791 3.613 1.00 64.10 C ATOM 109 CG ARG A 9 -0.964 13.999 4.015 1.00 33.12 C ATOM 110 CD ARG A 9 -1.915 14.838 4.853 1.00 30.54 C ATOM 111 NE ARG A 9 -3.219 14.199 5.006 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.200 14.699 5.748 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.026 15.838 6.404 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.361 14.060 5.837 1.00 52.12 N ATOM 0 H ARG A 9 0.643 13.822 1.358 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.911 16.032 2.313 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.106 14.104 3.487 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.534 15.471 4.423 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.479 13.647 3.121 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.663 13.116 4.579 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.477 15.008 5.837 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.043 15.815 4.387 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.385 13.320 4.516 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.136 16.333 6.340 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -4.782 16.219 6.973 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.500 13.183 5.335 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.113 14.446 6.408 1.00 52.12 H new ATOM 128 N TYR A 10 1.112 17.562 3.312 1.00 14.33 N ATOM 129 CA TYR A 10 2.036 18.688 3.385 1.00 71.55 C ATOM 130 C TYR A 10 2.488 18.930 4.822 1.00 52.43 C ATOM 131 O TYR A 10 1.830 18.505 5.771 1.00 74.35 O ATOM 132 CB TYR A 10 1.378 19.952 2.827 1.00 34.44 C ATOM 133 CG TYR A 10 0.307 20.525 3.728 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.633 21.401 4.757 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.031 20.190 3.551 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.343 21.927 5.582 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.012 20.713 4.371 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.663 21.580 5.386 1.00 2.14 C ATOM 139 OH TYR A 10 -2.637 22.102 6.206 1.00 11.10 O ATOM 0 H TYR A 10 0.486 17.477 4.113 1.00 14.33 H new ATOM 0 HA TYR A 10 2.912 18.445 2.783 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.145 20.708 2.662 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.940 19.725 1.855 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.666 21.675 4.914 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.308 19.510 2.759 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.073 22.607 6.377 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.047 20.445 4.218 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.216 22.599 6.938 1.00 11.10 H new ATOM 149 N ASN A 11 3.616 19.616 4.973 1.00 42.23 N ATOM 150 CA ASN A 11 4.159 19.915 6.293 1.00 42.31 C ATOM 151 C ASN A 11 4.280 21.421 6.503 1.00 20.03 C ATOM 152 O ASN A 11 4.607 22.163 5.579 1.00 44.41 O ATOM 153 CB ASN A 11 5.527 19.253 6.467 1.00 13.35 C ATOM 154 CG ASN A 11 6.278 19.784 7.673 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.737 19.847 8.777 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.530 20.172 7.466 1.00 62.24 N ATOM 0 H ASN A 11 4.172 19.976 4.197 1.00 42.23 H new ATOM 0 HA ASN A 11 3.472 19.516 7.040 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.396 18.176 6.570 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.124 19.417 5.570 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.084 20.540 8.239 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.938 20.102 6.534 1.00 62.24 H new ATOM 163 N TYR A 12 4.013 21.865 7.728 1.00 45.02 N ATOM 164 CA TYR A 12 4.090 23.282 8.060 1.00 72.31 C ATOM 165 C TYR A 12 5.537 23.714 8.273 1.00 31.24 C ATOM 166 O TYR A 12 6.167 23.351 9.266 1.00 51.10 O ATOM 167 CB TYR A 12 3.268 23.578 9.315 1.00 11.32 C ATOM 168 CG TYR A 12 1.774 23.559 9.078 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.157 24.550 8.324 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.981 22.551 9.611 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.206 24.536 8.106 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.384 22.529 9.397 1.00 33.51 C ATOM 173 CZ TYR A 12 -0.973 23.523 8.645 1.00 53.13 C ATOM 174 OH TYR A 12 -2.332 23.506 8.431 1.00 31.24 O ATOM 0 H TYR A 12 3.742 21.263 8.506 1.00 45.02 H new ATOM 0 HA TYR A 12 3.681 23.848 7.223 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.515 22.845 10.083 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.553 24.555 9.704 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.754 25.345 7.901 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.439 21.772 10.202 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.670 25.313 7.517 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -0.986 21.737 9.817 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.724 22.726 8.877 1.00 31.24 H new ATOM 184 N THR A 13 6.060 24.494 7.331 1.00 52.44 N ATOM 185 CA THR A 13 7.433 24.975 7.414 1.00 21.44 C ATOM 186 C THR A 13 7.477 26.496 7.510 1.00 1.51 C ATOM 187 O THR A 13 6.468 27.169 7.300 1.00 61.40 O ATOM 188 CB THR A 13 8.261 24.525 6.195 1.00 0.51 C ATOM 189 OG1 THR A 13 7.827 25.222 5.023 1.00 12.51 O ATOM 190 CG2 THR A 13 8.131 23.026 5.977 1.00 33.31 C ATOM 0 H THR A 13 5.553 24.805 6.502 1.00 52.44 H new ATOM 0 HA THR A 13 7.865 24.543 8.317 1.00 21.44 H new ATOM 0 HB THR A 13 9.308 24.759 6.389 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.360 24.931 4.253 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.724 22.731 5.111 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.491 22.497 6.860 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.085 22.773 5.803 1.00 33.31 H new ATOM 198 N GLU A 14 8.652 27.031 7.825 1.00 33.12 N ATOM 199 CA GLU A 14 8.826 28.474 7.949 1.00 45.32 C ATOM 200 C GLU A 14 9.346 29.073 6.646 1.00 72.14 C ATOM 201 O GLU A 14 10.090 28.426 5.906 1.00 2.41 O ATOM 202 CB GLU A 14 9.789 28.799 9.094 1.00 43.44 C ATOM 203 CG GLU A 14 9.187 29.700 10.158 1.00 35.42 C ATOM 204 CD GLU A 14 10.209 30.162 11.178 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.361 29.680 11.121 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.858 30.999 12.034 1.00 31.43 O1- ATOM 0 H GLU A 14 9.497 26.488 7.999 1.00 33.12 H new ATOM 0 HA GLU A 14 7.853 28.914 8.168 1.00 45.32 H new ATOM 0 HB2 GLU A 14 10.114 27.868 9.559 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.678 29.278 8.685 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.738 30.570 9.680 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.385 29.167 10.669 1.00 35.42 H new ATOM 213 N LEU A 15 8.953 30.311 6.372 1.00 31.01 N ATOM 214 CA LEU A 15 9.379 30.999 5.157 1.00 75.52 C ATOM 215 C LEU A 15 10.248 32.207 5.492 1.00 52.53 C ATOM 216 O LEU A 15 10.208 32.743 6.600 1.00 52.44 O ATOM 217 CB LEU A 15 8.162 31.441 4.343 1.00 45.14 C ATOM 218 CG LEU A 15 7.532 30.374 3.447 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.079 30.715 3.154 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.319 30.231 2.153 1.00 34.00 C ATOM 0 H LEU A 15 8.340 30.860 6.974 1.00 31.01 H new ATOM 0 HA LEU A 15 9.971 30.302 4.563 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.400 31.804 5.033 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.454 32.285 3.719 1.00 45.14 H new ATOM 0 HG LEU A 15 7.562 29.420 3.974 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.646 29.945 2.515 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.522 30.766 4.089 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.026 31.679 2.647 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.856 29.467 1.528 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.321 31.183 1.621 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.345 29.940 2.381 1.00 34.00 H new ATOM 232 N PRO A 16 11.051 32.648 4.512 1.00 52.33 N ATOM 233 CA PRO A 16 11.942 33.801 4.678 1.00 73.22 C ATOM 234 C PRO A 16 11.177 35.116 4.777 1.00 42.24 C ATOM 235 O PRO A 16 11.759 36.165 5.053 1.00 30.55 O ATOM 236 CB PRO A 16 12.797 33.773 3.409 1.00 54.14 C ATOM 237 CG PRO A 16 11.956 33.069 2.401 1.00 53.42 C ATOM 238 CD PRO A 16 11.151 32.058 3.168 1.00 70.53 C ATOM 0 HA PRO A 16 12.520 33.740 5.600 1.00 73.22 H new ATOM 0 HB2 PRO A 16 13.049 34.781 3.079 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.737 33.248 3.577 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.306 33.770 1.877 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.575 32.584 1.646 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.168 31.906 2.722 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.644 31.086 3.192 1.00 70.53 H new ATOM 246 N ASN A 17 9.868 35.052 4.552 1.00 3.13 N ATOM 247 CA ASN A 17 9.024 36.239 4.616 1.00 21.43 C ATOM 248 C ASN A 17 8.370 36.367 5.990 1.00 30.55 C ATOM 249 O ASN A 17 7.638 37.322 6.253 1.00 12.42 O ATOM 250 CB ASN A 17 7.947 36.184 3.530 1.00 30.03 C ATOM 251 CG ASN A 17 7.506 34.765 3.225 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.465 34.309 3.912 1.00 12.44 O flip ATOM 253 ND2 ASN A 17 8.094 34.088 2.383 1.00 24.23 N flip ATOM 0 H ASN A 17 9.370 34.192 4.324 1.00 3.13 H new ATOM 0 HA ASN A 17 9.654 37.112 4.449 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.084 36.769 3.848 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.329 36.647 2.620 1.00 30.03 H new ATOM 0 HD21 ASN A 17 8.890 34.479 1.879 1.00 24.23 H new ATOM 0 HD22 ASN A 17 7.786 33.135 2.189 1.00 24.23 H new ATOM 260 N GLY A 18 8.640 35.401 6.861 1.00 75.24 N ATOM 261 CA GLY A 18 8.072 35.425 8.196 1.00 63.13 C ATOM 262 C GLY A 18 6.892 34.485 8.341 1.00 23.55 C ATOM 263 O GLY A 18 6.595 34.017 9.440 1.00 61.41 O ATOM 0 H GLY A 18 9.242 34.601 6.666 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.841 35.153 8.919 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.755 36.440 8.435 1.00 63.13 H new ATOM 267 N GLU A 19 6.217 34.208 7.229 1.00 64.42 N ATOM 268 CA GLU A 19 5.061 33.319 7.238 1.00 70.10 C ATOM 269 C GLU A 19 5.500 31.857 7.239 1.00 45.33 C ATOM 270 O GLU A 19 6.693 31.554 7.277 1.00 50.13 O ATOM 271 CB GLU A 19 4.168 33.594 6.027 1.00 2.11 C ATOM 272 CG GLU A 19 3.827 35.064 5.843 1.00 53.05 C ATOM 273 CD GLU A 19 2.958 35.605 6.962 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.831 35.097 7.137 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.406 36.536 7.662 1.00 64.10 O ATOM 0 H GLU A 19 6.451 34.586 6.311 1.00 64.42 H new ATOM 0 HA GLU A 19 4.494 33.511 8.149 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.666 33.230 5.129 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.244 33.026 6.131 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.749 35.643 5.791 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.313 35.198 4.891 1.00 53.05 H new ATOM 282 N TYR A 20 4.527 30.954 7.197 1.00 61.53 N ATOM 283 CA TYR A 20 4.811 29.524 7.196 1.00 34.14 C ATOM 284 C TYR A 20 4.808 28.970 5.774 1.00 55.31 C ATOM 285 O TYR A 20 5.852 28.595 5.240 1.00 31.44 O ATOM 286 CB TYR A 20 3.782 28.778 8.047 1.00 60.13 C ATOM 287 CG TYR A 20 4.250 28.503 9.459 1.00 60.13 C ATOM 288 CD1 TYR A 20 4.054 29.435 10.470 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.888 27.311 9.781 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.482 29.189 11.761 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.316 27.056 11.069 1.00 61.50 C ATOM 292 CZ TYR A 20 5.111 27.998 12.056 1.00 52.13 C ATOM 293 OH TYR A 20 5.536 27.748 13.340 1.00 70.22 O ATOM 0 H TYR A 20 3.535 31.187 7.163 1.00 61.53 H new ATOM 0 HA TYR A 20 5.803 29.376 7.623 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.862 29.362 8.085 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.539 27.832 7.563 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.559 30.368 10.244 1.00 0.13 H new ATOM 0 HD2 TYR A 20 5.052 26.572 9.011 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.325 29.926 12.535 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.809 26.124 11.303 1.00 61.50 H new ATOM 0 HH TYR A 20 5.958 26.864 13.379 1.00 70.22 H new ATOM 303 N CYS A 21 3.627 28.919 5.168 1.00 45.41 N ATOM 304 CA CYS A 21 3.486 28.411 3.808 1.00 22.34 C ATOM 305 C CYS A 21 2.047 28.556 3.320 1.00 21.40 C ATOM 306 O CYS A 21 1.106 28.526 4.113 1.00 34.13 O ATOM 307 CB CYS A 21 3.912 26.943 3.744 1.00 14.31 C ATOM 308 SG CYS A 21 2.740 25.793 4.533 1.00 72.04 S ATOM 0 H CYS A 21 2.753 29.223 5.597 1.00 45.41 H new ATOM 0 HA CYS A 21 4.133 28.999 3.157 1.00 22.34 H new ATOM 0 HB2 CYS A 21 4.037 26.657 2.700 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.886 26.837 4.222 1.00 14.31 H new ATOM 313 N TYR A 22 1.886 28.713 2.011 1.00 73.41 N ATOM 314 CA TYR A 22 0.563 28.865 1.417 1.00 25.14 C ATOM 315 C TYR A 22 -0.093 27.506 1.194 1.00 21.32 C ATOM 316 O TYR A 22 0.442 26.653 0.487 1.00 14.24 O ATOM 317 CB TYR A 22 0.661 29.621 0.090 1.00 71.24 C ATOM 318 CG TYR A 22 0.751 31.121 0.252 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.119 31.802 1.096 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.705 31.858 -0.437 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.040 33.172 1.248 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.793 33.230 -0.290 1.00 75.54 C ATOM 323 CZ TYR A 22 0.918 33.881 0.553 1.00 12.31 C ATOM 324 OH TYR A 22 0.999 35.247 0.701 1.00 10.53 O ATOM 0 H TYR A 22 2.655 28.738 1.341 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.055 29.437 2.109 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.538 29.270 -0.454 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.210 29.382 -0.520 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.870 31.250 1.642 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.391 31.351 -1.100 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.724 33.686 1.907 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.542 33.788 -0.832 1.00 75.54 H new ATOM 0 HH TYR A 22 1.727 35.594 0.144 1.00 10.53 H new ATOM 334 N THR A 23 -1.259 27.313 1.804 1.00 31.22 N ATOM 335 CA THR A 23 -1.991 26.059 1.674 1.00 12.23 C ATOM 336 C THR A 23 -2.110 25.641 0.213 1.00 3.11 C ATOM 337 O THR A 23 -1.923 26.441 -0.704 1.00 50.51 O ATOM 338 CB THR A 23 -3.401 26.165 2.283 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.808 27.537 2.339 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.435 25.563 3.679 1.00 42.22 C ATOM 0 H THR A 23 -1.716 28.009 2.393 1.00 31.22 H new ATOM 0 HA THR A 23 -1.424 25.305 2.220 1.00 12.23 H new ATOM 0 HB THR A 23 -4.090 25.607 1.648 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.706 27.596 2.726 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.442 25.650 4.088 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.153 24.511 3.629 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.735 26.096 4.322 1.00 42.22 H new ATOM 348 N PRO A 24 -2.429 24.358 -0.013 1.00 10.51 N ATOM 349 CA PRO A 24 -2.583 23.804 -1.361 1.00 1.33 C ATOM 350 C PRO A 24 -3.822 24.341 -2.070 1.00 0.42 C ATOM 351 O PRO A 24 -4.758 24.818 -1.429 1.00 21.20 O ATOM 352 CB PRO A 24 -2.716 22.300 -1.115 1.00 42.41 C ATOM 353 CG PRO A 24 -3.248 22.188 0.271 1.00 13.41 C ATOM 354 CD PRO A 24 -2.667 23.349 1.033 1.00 22.44 C ATOM 0 HA PRO A 24 -1.748 24.070 -2.009 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.391 21.839 -1.836 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.754 21.797 -1.212 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.337 22.225 0.275 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.959 21.240 0.724 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.355 23.715 1.795 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.744 23.073 1.543 1.00 22.44 H new ATOM 362 N ARG A 25 -3.822 24.257 -3.396 1.00 41.50 N ATOM 363 CA ARG A 25 -4.947 24.733 -4.192 1.00 11.30 C ATOM 364 C ARG A 25 -5.165 26.229 -3.984 1.00 42.24 C ATOM 365 O ARG A 25 -6.256 26.747 -4.223 1.00 30.50 O ATOM 366 CB ARG A 25 -6.219 23.966 -3.828 1.00 71.35 C ATOM 367 CG ARG A 25 -6.429 22.707 -4.652 1.00 24.20 C ATOM 368 CD ARG A 25 -5.564 21.562 -4.150 1.00 13.12 C ATOM 369 NE ARG A 25 -5.906 21.174 -2.785 1.00 61.42 N ATOM 370 CZ ARG A 25 -7.017 20.519 -2.464 1.00 63.21 C ATOM 371 NH1 ARG A 25 -7.886 20.179 -3.406 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -7.259 20.202 -1.199 1.00 31.52 N ATOM 0 H ARG A 25 -3.055 23.864 -3.942 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.715 24.559 -5.243 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.181 23.697 -2.772 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -7.079 24.623 -3.959 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -7.479 22.416 -4.612 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -6.194 22.911 -5.697 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -5.681 20.703 -4.811 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -4.515 21.855 -4.191 1.00 13.12 H new ATOM 0 HE ARG A 25 -5.257 21.419 -2.037 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -7.703 20.420 -4.380 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -8.738 19.676 -3.157 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -6.592 20.461 -0.472 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -8.112 19.699 -0.953 1.00 31.52 H new ATOM 386 N ARG A 26 -4.120 26.918 -3.536 1.00 23.54 N ATOM 387 CA ARG A 26 -4.198 28.353 -3.294 1.00 14.21 C ATOM 388 C ARG A 26 -3.335 29.120 -4.291 1.00 22.51 C ATOM 389 O ARG A 26 -2.252 28.668 -4.668 1.00 34.12 O ATOM 390 CB ARG A 26 -3.754 28.675 -1.866 1.00 32.13 C ATOM 391 CG ARG A 26 -4.690 29.625 -1.136 1.00 14.42 C ATOM 392 CD ARG A 26 -4.063 30.999 -0.960 1.00 12.23 C ATOM 393 NE ARG A 26 -4.502 31.937 -1.989 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.697 32.514 -1.996 1.00 71.13 C ATOM 395 NH1 ARG A 26 -6.570 32.253 -1.032 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.024 33.358 -2.967 1.00 33.14 N ATOM 0 H ARG A 26 -3.210 26.505 -3.333 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.235 28.662 -3.424 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.679 27.747 -1.300 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.756 29.113 -1.895 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.622 29.718 -1.693 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -4.942 29.211 -0.160 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -4.322 31.392 0.023 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -2.977 30.909 -0.991 1.00 12.23 H new ATOM 0 HE ARG A 26 -3.854 32.161 -2.744 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -6.324 31.607 -0.282 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -7.488 32.698 -1.041 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -5.356 33.564 -3.710 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -6.943 33.800 -2.970 1.00 33.14 H new ATOM 410 N ARG A 27 -3.821 30.282 -4.716 1.00 50.31 N ATOM 411 CA ARG A 27 -3.095 31.111 -5.670 1.00 40.43 C ATOM 412 C ARG A 27 -1.777 31.598 -5.076 1.00 64.30 C ATOM 413 O ARG A 27 -1.759 32.276 -4.049 1.00 33.14 O ATOM 414 CB ARG A 27 -3.950 32.308 -6.090 1.00 5.30 C ATOM 415 CG ARG A 27 -3.258 33.233 -7.079 1.00 61.13 C ATOM 416 CD ARG A 27 -4.224 34.258 -7.654 1.00 24.42 C ATOM 417 NE ARG A 27 -4.426 35.387 -6.747 1.00 40.41 N ATOM 418 CZ ARG A 27 -5.233 36.407 -7.014 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.911 36.441 -8.153 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -5.364 37.396 -6.139 1.00 21.32 N ATOM 0 H ARG A 27 -4.715 30.670 -4.414 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.875 30.503 -6.548 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.877 31.944 -6.533 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.223 32.878 -5.202 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.434 33.746 -6.583 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.826 32.644 -7.888 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.841 34.622 -8.607 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -5.182 33.780 -7.857 1.00 24.42 H new ATOM 0 HE ARG A 27 -3.920 35.391 -5.862 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -5.814 35.682 -8.827 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -6.530 37.226 -8.355 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.845 37.373 -5.261 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.984 38.180 -6.344 1.00 21.32 H new ATOM 434 N CYS A 28 -0.674 31.245 -5.729 1.00 43.33 N ATOM 435 CA CYS A 28 0.649 31.644 -5.267 1.00 31.31 C ATOM 436 C CYS A 28 1.468 32.239 -6.408 1.00 63.13 C ATOM 437 O CYS A 28 1.013 32.295 -7.551 1.00 50.44 O ATOM 438 CB CYS A 28 1.387 30.443 -4.669 1.00 52.41 C ATOM 439 SG CYS A 28 1.268 28.925 -5.668 1.00 5.44 S ATOM 0 H CYS A 28 -0.671 30.683 -6.580 1.00 43.33 H new ATOM 0 HA CYS A 28 0.523 32.406 -4.498 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.439 30.702 -4.544 1.00 52.41 H new ATOM 0 HB3 CYS A 28 0.988 30.243 -3.675 1.00 52.41 H new ATOM 444 N THR A 29 2.679 32.686 -6.090 1.00 73.01 N ATOM 445 CA THR A 29 3.562 33.278 -7.087 1.00 32.12 C ATOM 446 C THR A 29 4.870 32.502 -7.197 1.00 33.55 C ATOM 447 O THR A 29 5.435 32.369 -8.282 1.00 51.13 O ATOM 448 CB THR A 29 3.879 34.749 -6.754 1.00 20.25 C ATOM 449 OG1 THR A 29 4.775 34.817 -5.641 1.00 30.25 O ATOM 450 CG2 THR A 29 2.604 35.517 -6.434 1.00 44.55 C ATOM 0 H THR A 29 3.071 32.649 -5.149 1.00 73.01 H new ATOM 0 HA THR A 29 3.035 33.233 -8.040 1.00 32.12 H new ATOM 0 HB THR A 29 4.350 35.203 -7.626 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.542 34.122 -4.990 1.00 30.25 H new ATOM 0 HG21 THR A 29 2.852 36.553 -6.202 1.00 44.55 H new ATOM 0 HG22 THR A 29 1.936 35.488 -7.295 1.00 44.55 H new ATOM 0 HG23 THR A 29 2.110 35.061 -5.576 1.00 44.55 H new ATOM 458 N SER A 30 5.344 31.990 -6.065 1.00 63.54 N ATOM 459 CA SER A 30 6.587 31.227 -6.034 1.00 12.44 C ATOM 460 C SER A 30 6.368 29.856 -5.405 1.00 32.23 C ATOM 461 O SER A 30 5.545 29.699 -4.502 1.00 42.24 O ATOM 462 CB SER A 30 7.659 31.993 -5.255 1.00 1.42 C ATOM 463 OG SER A 30 7.741 33.340 -5.689 1.00 24.25 O ATOM 0 H SER A 30 4.887 32.089 -5.159 1.00 63.54 H new ATOM 0 HA SER A 30 6.924 31.086 -7.061 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.429 31.964 -4.190 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.625 31.506 -5.386 1.00 1.42 H new ATOM 0 HG SER A 30 8.432 33.808 -5.175 1.00 24.25 H new ATOM 469 N ALA A 31 7.110 28.865 -5.888 1.00 62.45 N ATOM 470 CA ALA A 31 6.998 27.505 -5.374 1.00 32.30 C ATOM 471 C ALA A 31 7.443 27.433 -3.916 1.00 10.12 C ATOM 472 O ALA A 31 6.884 26.673 -3.124 1.00 65.45 O ATOM 473 CB ALA A 31 7.819 26.549 -6.226 1.00 44.20 C ATOM 0 H ALA A 31 7.795 28.978 -6.635 1.00 62.45 H new ATOM 0 HA ALA A 31 5.950 27.208 -5.423 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.726 25.538 -5.830 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.454 26.572 -7.253 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.866 26.851 -6.206 1.00 44.20 H new ATOM 479 N ASP A 32 8.451 28.226 -3.569 1.00 12.20 N ATOM 480 CA ASP A 32 8.969 28.251 -2.207 1.00 73.45 C ATOM 481 C ASP A 32 7.851 28.514 -1.203 1.00 71.20 C ATOM 482 O ASP A 32 7.848 27.961 -0.104 1.00 64.22 O ATOM 483 CB ASP A 32 10.054 29.322 -2.071 1.00 74.03 C ATOM 484 CG ASP A 32 11.024 29.025 -0.945 1.00 11.45 C ATOM 485 OD1 ASP A 32 10.676 29.294 0.223 1.00 51.42 O1- ATOM 486 OD2 ASP A 32 12.131 28.521 -1.231 1.00 52.31 O ATOM 0 H ASP A 32 8.925 28.860 -4.212 1.00 12.20 H new ATOM 0 HA ASP A 32 9.403 27.274 -1.993 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.604 29.399 -3.009 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.585 30.290 -1.896 1.00 74.03 H new ATOM 491 N GLN A 33 6.903 29.362 -1.591 1.00 13.05 N ATOM 492 CA GLN A 33 5.779 29.697 -0.725 1.00 61.53 C ATOM 493 C GLN A 33 4.837 28.509 -0.567 1.00 21.20 C ATOM 494 O GLN A 33 4.301 28.267 0.514 1.00 62.33 O ATOM 495 CB GLN A 33 5.015 30.897 -1.287 1.00 1.33 C ATOM 496 CG GLN A 33 5.913 32.059 -1.683 1.00 24.41 C ATOM 497 CD GLN A 33 5.156 33.168 -2.388 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.885 33.085 -3.587 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.808 34.212 -1.646 1.00 41.24 N ATOM 0 H GLN A 33 6.891 29.829 -2.498 1.00 13.05 H new ATOM 0 HA GLN A 33 6.176 29.954 0.257 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.443 30.577 -2.158 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.297 31.241 -0.543 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.393 32.462 -0.791 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.706 31.694 -2.335 1.00 24.41 H new ATOM 0 HE21 GLN A 33 5.053 34.239 -0.656 1.00 41.24 H new ATOM 0 HE22 GLN A 33 4.295 34.988 -2.065 1.00 41.24 H new ATOM 508 N CYS A 34 4.642 27.767 -1.652 1.00 20.44 N ATOM 509 CA CYS A 34 3.764 26.604 -1.636 1.00 42.12 C ATOM 510 C CYS A 34 4.201 25.609 -0.563 1.00 14.23 C ATOM 511 O CYS A 34 5.358 25.188 -0.526 1.00 24.15 O ATOM 512 CB CYS A 34 3.759 25.924 -3.007 1.00 20.31 C ATOM 513 SG CYS A 34 2.875 24.331 -3.042 1.00 43.23 S ATOM 0 H CYS A 34 5.081 27.951 -2.554 1.00 20.44 H new ATOM 0 HA CYS A 34 2.755 26.943 -1.403 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.303 26.597 -3.733 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.789 25.763 -3.325 1.00 20.31 H new ATOM 518 N CYS A 35 3.267 25.235 0.304 1.00 63.44 N ATOM 519 CA CYS A 35 3.554 24.290 1.377 1.00 62.12 C ATOM 520 C CYS A 35 4.227 23.034 0.830 1.00 75.41 C ATOM 521 O CYS A 35 3.784 22.464 -0.167 1.00 52.33 O ATOM 522 CB CYS A 35 2.264 23.912 2.110 1.00 15.41 C ATOM 523 SG CYS A 35 1.512 25.283 3.044 1.00 54.35 S ATOM 0 H CYS A 35 2.304 25.572 0.285 1.00 63.44 H new ATOM 0 HA CYS A 35 4.236 24.771 2.078 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.541 23.542 1.383 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.475 23.092 2.796 1.00 15.41 H new ATOM 528 N ARG A 36 5.300 22.610 1.490 1.00 74.42 N ATOM 529 CA ARG A 36 6.035 21.423 1.070 1.00 31.31 C ATOM 530 C ARG A 36 5.318 20.152 1.517 1.00 11.50 C ATOM 531 O ARG A 36 4.483 20.167 2.423 1.00 64.44 O ATOM 532 CB ARG A 36 7.455 21.448 1.641 1.00 74.21 C ATOM 533 CG ARG A 36 8.472 22.095 0.713 1.00 33.43 C ATOM 534 CD ARG A 36 8.470 23.608 0.853 1.00 52.41 C ATOM 535 NE ARG A 36 9.787 24.183 0.594 1.00 64.13 N ATOM 536 CZ ARG A 36 10.159 25.388 1.011 1.00 24.21 C ATOM 537 NH1 ARG A 36 9.315 26.141 1.706 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 11.375 25.842 0.737 1.00 13.25 N ATOM 0 H ARG A 36 5.679 23.071 2.317 1.00 74.42 H new ATOM 0 HA ARG A 36 6.088 21.426 -0.019 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.447 21.985 2.589 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.769 20.427 1.856 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.467 21.709 0.936 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.249 21.824 -0.319 1.00 33.43 H new ATOM 0 HD2 ARG A 36 7.745 24.035 0.160 1.00 52.41 H new ATOM 0 HD3 ARG A 36 8.148 23.879 1.858 1.00 52.41 H new ATOM 0 HE ARG A 36 10.459 23.628 0.063 1.00 64.13 H new ATOM 0 HH11 ARG A 36 8.380 25.794 1.920 1.00 61.22 H new ATOM 0 HH12 ARG A 36 9.602 27.066 2.026 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.027 25.265 0.205 1.00 13.25 H new ATOM 0 HH22 ARG A 36 11.658 26.768 1.058 1.00 13.25 H new ATOM 552 N PRO A 37 5.649 19.027 0.869 1.00 2.54 N ATOM 553 CA PRO A 37 5.049 17.727 1.184 1.00 73.11 C ATOM 554 C PRO A 37 5.497 17.194 2.540 1.00 25.00 C ATOM 555 O PRO A 37 6.633 17.414 2.960 1.00 22.30 O ATOM 556 CB PRO A 37 5.556 16.821 0.059 1.00 11.35 C ATOM 557 CG PRO A 37 6.827 17.454 -0.394 1.00 4.20 C ATOM 558 CD PRO A 37 6.637 18.935 -0.220 1.00 42.10 C ATOM 0 HA PRO A 37 3.962 17.785 1.247 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.725 15.805 0.415 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.833 16.758 -0.755 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.672 17.097 0.195 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.037 17.207 -1.435 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.571 19.432 0.042 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.272 19.403 -1.134 1.00 42.10 H new ATOM 566 N TYR A 38 4.598 16.493 3.221 1.00 62.25 N ATOM 567 CA TYR A 38 4.900 15.930 4.532 1.00 14.44 C ATOM 568 C TYR A 38 6.170 15.086 4.482 1.00 34.42 C ATOM 569 O TYR A 38 6.889 14.966 5.475 1.00 11.41 O ATOM 570 CB TYR A 38 3.728 15.080 5.028 1.00 22.13 C ATOM 571 CG TYR A 38 3.680 14.935 6.532 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.618 14.164 7.207 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.696 15.570 7.279 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.577 14.028 8.581 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.647 15.442 8.654 1.00 22.03 C ATOM 576 CZ TYR A 38 3.590 14.670 9.300 1.00 53.42 C ATOM 577 OH TYR A 38 3.546 14.538 10.669 1.00 22.44 O ATOM 0 H TYR A 38 3.654 16.301 2.887 1.00 62.25 H new ATOM 0 HA TYR A 38 5.060 16.755 5.226 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.795 15.527 4.684 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.792 14.089 4.578 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.393 13.662 6.647 1.00 30.11 H new ATOM 0 HD2 TYR A 38 1.956 16.175 6.776 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.313 13.423 9.089 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.875 15.943 9.219 1.00 22.03 H new ATOM 0 HH TYR A 38 2.792 15.054 11.023 1.00 22.44 H new ATOM 587 N ASP A 39 6.440 14.504 3.320 1.00 32.30 N ATOM 588 CA ASP A 39 7.625 13.671 3.138 1.00 33.55 C ATOM 589 C ASP A 39 8.329 14.008 1.828 1.00 15.11 C ATOM 590 O ASP A 39 8.000 13.461 0.774 1.00 13.04 O ATOM 591 CB ASP A 39 7.242 12.191 3.161 1.00 24.25 C ATOM 592 CG ASP A 39 6.853 11.715 4.546 1.00 54.15 C ATOM 593 OD1 ASP A 39 7.357 12.288 5.535 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 6.044 10.768 4.642 1.00 4.51 O ATOM 0 H ASP A 39 5.855 14.593 2.489 1.00 32.30 H new ATOM 0 HA ASP A 39 8.311 13.873 3.960 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.411 12.023 2.476 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.080 11.596 2.798 1.00 24.25 H new ATOM 599 N THR A 40 9.300 14.913 1.899 1.00 42.33 N ATOM 600 CA THR A 40 10.051 15.324 0.718 1.00 51.22 C ATOM 601 C THR A 40 10.701 14.127 0.036 1.00 5.24 C ATOM 602 O THR A 40 10.911 14.128 -1.178 1.00 55.42 O ATOM 603 CB THR A 40 11.140 16.351 1.076 1.00 52.44 C ATOM 604 OG1 THR A 40 11.632 16.106 2.399 1.00 3.03 O ATOM 605 CG2 THR A 40 10.598 17.770 0.986 1.00 32.04 C ATOM 0 H THR A 40 9.585 15.376 2.762 1.00 42.33 H new ATOM 0 HA THR A 40 9.338 15.785 0.034 1.00 51.22 H new ATOM 0 HB THR A 40 11.956 16.244 0.361 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.325 16.763 2.617 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.386 18.478 1.243 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.254 17.964 -0.030 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.765 17.886 1.680 1.00 32.04 H new ATOM 613 N THR A 41 11.020 13.103 0.823 1.00 61.40 N ATOM 614 CA THR A 41 11.647 11.900 0.293 1.00 21.31 C ATOM 615 C THR A 41 10.659 11.077 -0.525 1.00 74.10 C ATOM 616 O THR A 41 11.053 10.209 -1.303 1.00 32.32 O ATOM 617 CB THR A 41 12.216 11.019 1.423 1.00 11.20 C ATOM 618 OG1 THR A 41 12.866 9.869 0.869 1.00 50.03 O ATOM 619 CG2 THR A 41 11.113 10.577 2.373 1.00 40.10 C ATOM 0 H THR A 41 10.854 13.084 1.829 1.00 61.40 H new ATOM 0 HA THR A 41 12.463 12.228 -0.351 1.00 21.31 H new ATOM 0 HB THR A 41 12.941 11.610 1.983 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.494 9.678 -0.017 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.539 9.957 3.162 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.641 11.454 2.816 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.367 10.003 1.823 1.00 40.10 H new ATOM 627 N ALA A 42 9.372 11.358 -0.345 1.00 33.42 N ATOM 628 CA ALA A 42 8.326 10.647 -1.070 1.00 33.24 C ATOM 629 C ALA A 42 7.340 11.620 -1.707 1.00 22.22 C ATOM 630 O ALA A 42 6.187 11.273 -1.960 1.00 41.33 O ATOM 631 CB ALA A 42 7.598 9.687 -0.140 1.00 72.43 C ATOM 0 H ALA A 42 9.029 12.073 0.297 1.00 33.42 H new ATOM 0 HA ALA A 42 8.797 10.074 -1.869 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.820 9.163 -0.695 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.306 8.963 0.263 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.146 10.246 0.679 1.00 72.43 H new ATOM 637 N ALA A 43 7.801 12.840 -1.963 1.00 12.24 N ATOM 638 CA ALA A 43 6.960 13.862 -2.572 1.00 72.33 C ATOM 639 C ALA A 43 7.742 15.151 -2.803 1.00 51.10 C ATOM 640 O ALA A 43 8.841 15.325 -2.276 1.00 33.12 O ATOM 641 CB ALA A 43 5.742 14.132 -1.700 1.00 43.44 C ATOM 0 H ALA A 43 8.753 13.144 -1.758 1.00 12.24 H new ATOM 0 HA ALA A 43 6.626 13.491 -3.541 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.123 14.898 -2.167 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.163 13.215 -1.589 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.067 14.477 -0.718 1.00 43.44 H new ATOM 647 N PHE A 44 7.170 16.052 -3.596 1.00 14.41 N ATOM 648 CA PHE A 44 7.815 17.324 -3.899 1.00 61.30 C ATOM 649 C PHE A 44 6.800 18.463 -3.889 1.00 33.54 C ATOM 650 O PHE A 44 5.592 18.233 -3.847 1.00 25.14 O ATOM 651 CB PHE A 44 8.509 17.255 -5.261 1.00 4.30 C ATOM 652 CG PHE A 44 7.590 16.868 -6.384 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.297 15.536 -6.630 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.020 17.836 -7.195 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.451 15.176 -7.662 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.173 17.483 -8.228 1.00 31.10 C ATOM 657 CZ PHE A 44 5.889 16.152 -8.463 1.00 44.43 C ATOM 0 H PHE A 44 6.261 15.924 -4.040 1.00 14.41 H new ATOM 0 HA PHE A 44 8.561 17.519 -3.128 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.952 18.226 -5.483 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.326 16.536 -5.207 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.735 14.770 -6.008 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.240 18.878 -7.018 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.230 14.134 -7.842 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.733 18.248 -8.851 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.229 15.874 -9.271 1.00 44.43 H new ATOM 667 N HIS A 45 7.303 19.694 -3.927 1.00 30.01 N ATOM 668 CA HIS A 45 6.441 20.871 -3.922 1.00 13.52 C ATOM 669 C HIS A 45 6.602 21.667 -5.214 1.00 32.25 C ATOM 670 O HIS A 45 7.512 21.414 -6.002 1.00 34.05 O ATOM 671 CB HIS A 45 6.761 21.758 -2.719 1.00 41.02 C ATOM 672 CG HIS A 45 8.039 22.527 -2.866 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.276 21.992 -2.572 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.267 23.795 -3.278 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.210 22.900 -2.797 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.624 24.002 -3.226 1.00 4.31 N ATOM 0 H HIS A 45 8.301 19.902 -3.962 1.00 30.01 H new ATOM 0 HA HIS A 45 5.407 20.534 -3.850 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.940 22.459 -2.566 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.821 21.137 -1.825 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.521 24.511 -3.590 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.272 22.763 -2.654 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.101 24.867 -3.478 1.00 4.31 H new ATOM 684 N GLY A 46 5.709 22.629 -5.425 1.00 15.53 N ATOM 685 CA GLY A 46 5.770 23.447 -6.622 1.00 51.15 C ATOM 686 C GLY A 46 4.524 24.291 -6.813 1.00 30.33 C ATOM 687 O GLY A 46 3.412 23.839 -6.536 1.00 1.11 O ATOM 0 H GLY A 46 4.945 22.856 -4.789 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.642 24.099 -6.569 1.00 51.15 H new ATOM 0 HA3 GLY A 46 5.906 22.804 -7.491 1.00 51.15 H new ATOM 691 N CYS A 47 4.709 25.518 -7.283 1.00 73.31 N ATOM 692 CA CYS A 47 3.592 26.428 -7.508 1.00 12.40 C ATOM 693 C CYS A 47 3.310 26.587 -8.999 1.00 61.22 C ATOM 694 O CYS A 47 4.176 27.012 -9.763 1.00 61.52 O ATOM 695 CB CYS A 47 3.887 27.795 -6.886 1.00 0.44 C ATOM 696 SG CYS A 47 2.584 29.035 -7.165 1.00 52.01 S ATOM 0 H CYS A 47 5.623 25.907 -7.516 1.00 73.31 H new ATOM 0 HA CYS A 47 2.709 26.002 -7.033 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.031 27.670 -5.813 1.00 0.44 H new ATOM 0 HB3 CYS A 47 4.826 28.172 -7.292 1.00 0.44 H new ATOM 701 N GLY A 48 2.093 26.241 -9.406 1.00 51.40 N ATOM 702 CA GLY A 48 1.719 26.352 -10.804 1.00 22.12 C ATOM 703 C GLY A 48 0.380 25.706 -11.099 1.00 74.05 C ATOM 704 O GLY A 48 -0.469 25.588 -10.214 1.00 74.34 O ATOM 0 H GLY A 48 1.359 25.886 -8.793 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.681 27.405 -11.084 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.488 25.886 -11.421 1.00 22.12 H new ATOM 708 N ARG A 49 0.188 25.287 -12.345 1.00 34.44 N ATOM 709 CA ARG A 49 -1.060 24.653 -12.756 1.00 43.42 C ATOM 710 C ARG A 49 -0.827 23.191 -13.131 1.00 72.42 C ATOM 711 O ARG A 49 -0.063 22.890 -14.047 1.00 32.25 O ATOM 712 CB ARG A 49 -1.674 25.403 -13.938 1.00 63.11 C ATOM 713 CG ARG A 49 -1.910 26.880 -13.667 1.00 51.12 C ATOM 714 CD ARG A 49 -1.820 27.702 -14.942 1.00 22.53 C ATOM 715 NE ARG A 49 -0.491 27.636 -15.544 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.043 28.512 -16.435 1.00 64.40 C ATOM 717 NH1 ARG A 49 -0.814 29.518 -16.827 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 1.178 28.385 -16.938 1.00 63.11 N ATOM 0 H ARG A 49 0.881 25.375 -13.088 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.752 24.690 -11.915 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.018 25.301 -14.802 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.622 24.935 -14.201 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -2.892 27.015 -13.214 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.175 27.241 -12.948 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.560 27.343 -15.657 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.067 28.741 -14.722 1.00 22.53 H new ATOM 0 HE ARG A 49 0.127 26.874 -15.264 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -1.754 29.620 -16.444 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.467 30.190 -17.512 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.775 27.613 -16.640 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.520 29.059 -17.623 1.00 63.11 H new ATOM 732 N ILE A 50 -1.491 22.290 -12.416 1.00 45.20 N ATOM 733 CA ILE A 50 -1.358 20.862 -12.674 1.00 24.22 C ATOM 734 C ILE A 50 -2.664 20.274 -13.199 1.00 32.02 C ATOM 735 O ILE A 50 -2.662 19.263 -13.901 1.00 4.22 O ATOM 736 CB ILE A 50 -0.938 20.097 -11.404 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.831 20.489 -10.227 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.525 20.370 -11.082 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.978 19.397 -9.189 1.00 33.13 C ATOM 0 H ILE A 50 -2.127 22.524 -11.653 1.00 45.20 H new ATOM 0 HA ILE A 50 -0.581 20.749 -13.430 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.057 19.029 -11.584 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.420 21.379 -9.750 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.818 20.756 -10.604 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.808 19.823 -10.183 1.00 11.30 H new ATOM 0 HG22 ILE A 50 1.148 20.045 -11.915 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.668 21.438 -10.917 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.625 19.745 -8.384 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.418 18.513 -9.651 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.998 19.145 -8.784 1.00 33.13 H new ATOM 751 N TRP A 51 -3.775 20.915 -12.854 1.00 65.10 N ATOM 752 CA TRP A 51 -5.089 20.456 -13.293 1.00 64.31 C ATOM 753 C TRP A 51 -5.613 21.320 -14.435 1.00 21.13 C ATOM 754 O TRP A 51 -5.232 22.479 -14.594 1.00 63.40 O ATOM 755 CB TRP A 51 -6.075 20.480 -12.124 1.00 25.32 C ATOM 756 CG TRP A 51 -5.751 19.483 -11.054 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.138 19.733 -9.859 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.019 18.077 -11.081 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.011 18.567 -9.143 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.545 17.537 -9.869 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.618 17.222 -12.010 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.649 16.183 -9.566 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.720 15.877 -11.708 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.239 15.368 -10.494 1.00 32.35 C ATOM 0 H TRP A 51 -3.793 21.753 -12.273 1.00 65.10 H new ATOM 0 HA TRP A 51 -4.989 19.432 -13.654 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.087 21.479 -11.688 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.079 20.285 -12.501 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -4.803 20.704 -9.526 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.587 18.483 -8.219 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -6.994 17.605 -12.947 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.277 15.789 -8.632 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.178 15.207 -12.420 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.336 14.312 -10.287 1.00 32.35 H new ATOM 775 N PRO A 52 -6.509 20.744 -15.250 1.00 33.22 N ATOM 776 CA PRO A 52 -7.106 21.445 -16.391 1.00 11.42 C ATOM 777 C PRO A 52 -8.063 22.549 -15.957 1.00 61.34 C ATOM 778 O PRO A 52 -8.264 23.528 -16.675 1.00 42.35 O ATOM 779 CB PRO A 52 -7.865 20.337 -17.129 1.00 73.34 C ATOM 780 CG PRO A 52 -8.165 19.322 -16.081 1.00 72.40 C ATOM 781 CD PRO A 52 -7.010 19.365 -15.120 1.00 33.43 C ATOM 0 HA PRO A 52 -6.354 21.946 -17.001 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -8.779 20.718 -17.584 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.263 19.911 -17.932 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.103 19.550 -15.574 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.272 18.329 -16.518 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.327 19.147 -14.100 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.245 18.633 -15.379 1.00 33.43 H new ATOM 789 N LYS A 53 -8.653 22.385 -14.778 1.00 42.35 N ATOM 790 CA LYS A 53 -9.589 23.368 -14.246 1.00 54.32 C ATOM 791 C LYS A 53 -8.898 24.711 -14.021 1.00 33.53 C ATOM 792 O LYS A 53 -9.464 25.765 -14.307 1.00 74.30 O ATOM 793 CB LYS A 53 -10.195 22.869 -12.933 1.00 22.44 C ATOM 794 CG LYS A 53 -11.687 23.128 -12.814 1.00 55.12 C ATOM 795 CD LYS A 53 -12.498 21.890 -13.156 1.00 65.22 C ATOM 796 CE LYS A 53 -12.604 21.693 -14.661 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.989 21.337 -15.077 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.499 21.579 -14.172 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.386 23.506 -14.977 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.012 21.798 -12.842 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -9.684 23.351 -12.100 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -11.921 23.448 -11.799 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.969 23.944 -13.479 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.034 21.013 -12.705 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -13.497 21.978 -12.728 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.295 22.606 -15.170 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -11.917 20.906 -14.974 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.020 21.211 -16.109 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -14.275 20.452 -14.612 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.641 22.099 -14.801 1.00 32.33 H new ATOM 811 N ASP A 54 -7.674 24.661 -13.511 1.00 52.15 N ATOM 812 CA ASP A 54 -6.906 25.874 -13.250 1.00 1.22 C ATOM 813 C ASP A 54 -6.384 26.476 -14.550 1.00 22.44 C ATOM 814 O ASP A 54 -6.200 27.688 -14.656 1.00 3.21 O ATOM 815 CB ASP A 54 -5.739 25.571 -12.309 1.00 23.13 C ATOM 816 CG ASP A 54 -6.196 25.286 -10.892 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.422 25.242 -10.661 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.328 25.105 -10.013 1.00 52.31 O ATOM 0 H ASP A 54 -7.191 23.795 -13.270 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.567 26.599 -12.775 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.184 24.713 -12.688 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.052 26.417 -12.303 1.00 23.13 H new ATOM 823 N LYS A 55 -6.145 25.621 -15.539 1.00 0.11 N ATOM 824 CA LYS A 55 -5.645 26.067 -16.833 1.00 71.30 C ATOM 825 C LYS A 55 -6.583 27.097 -17.454 1.00 30.04 C ATOM 826 O LYS A 55 -6.136 28.083 -18.040 1.00 33.44 O ATOM 827 CB LYS A 55 -5.483 24.875 -17.779 1.00 4.34 C ATOM 828 CG LYS A 55 -4.036 24.562 -18.122 1.00 61.13 C ATOM 829 CD LYS A 55 -3.564 23.287 -17.445 1.00 32.24 C ATOM 830 CE LYS A 55 -3.887 22.060 -18.282 1.00 73.20 C ATOM 831 NZ LYS A 55 -3.884 20.813 -17.466 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.290 24.614 -15.468 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.673 26.534 -16.676 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.938 23.996 -17.323 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.031 25.076 -18.700 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -3.931 24.461 -19.202 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.401 25.393 -17.816 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -2.489 23.340 -17.275 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -4.037 23.196 -16.467 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -4.864 22.186 -18.749 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -3.159 21.968 -19.088 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -3.244 20.117 -17.898 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.560 21.030 -16.502 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -4.847 20.421 -17.427 1.00 23.02 H new ATOM 845 N ARG A 56 -7.884 26.862 -17.320 1.00 42.23 N ATOM 846 CA ARG A 56 -8.885 27.770 -17.868 1.00 60.15 C ATOM 847 C ARG A 56 -8.847 29.118 -17.150 1.00 33.12 C ATOM 848 O ARG A 56 -9.158 30.152 -17.737 1.00 23.12 O ATOM 849 CB ARG A 56 -10.281 27.157 -17.750 1.00 63.23 C ATOM 850 CG ARG A 56 -10.363 25.727 -18.261 1.00 4.43 C ATOM 851 CD ARG A 56 -11.709 25.445 -18.910 1.00 71.40 C ATOM 852 NE ARG A 56 -12.080 24.036 -18.809 1.00 11.52 N ATOM 853 CZ ARG A 56 -11.590 23.089 -19.602 1.00 41.21 C ATOM 854 NH1 ARG A 56 -10.715 23.399 -20.548 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -11.976 21.828 -19.449 1.00 63.40 N ATOM 0 H ARG A 56 -8.270 26.051 -16.837 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.655 27.931 -18.921 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.591 27.179 -16.705 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.988 27.774 -18.305 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.566 25.551 -18.983 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.204 25.034 -17.435 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.476 26.057 -18.435 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.674 25.736 -19.960 1.00 71.40 H new ATOM 0 HE ARG A 56 -12.752 23.764 -18.091 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -10.416 24.367 -20.669 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -10.341 22.670 -21.155 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -12.649 21.585 -18.722 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -11.599 21.102 -20.058 1.00 63.40 H new ATOM 869 N GLU A 57 -8.464 29.093 -15.877 1.00 1.14 N ATOM 870 CA GLU A 57 -8.388 30.312 -15.081 1.00 73.50 C ATOM 871 C GLU A 57 -7.040 31.001 -15.269 1.00 75.12 C ATOM 872 O GLU A 57 -6.904 32.203 -15.033 1.00 65.11 O ATOM 873 CB GLU A 57 -8.609 29.995 -13.601 1.00 24.12 C ATOM 874 CG GLU A 57 -9.981 29.413 -13.300 1.00 62.23 C ATOM 875 CD GLU A 57 -11.078 30.046 -14.134 1.00 4.11 C ATOM 876 OE1 GLU A 57 -11.540 31.148 -13.770 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -11.472 29.439 -15.152 1.00 2.34 O ATOM 0 H GLU A 57 -8.202 28.244 -15.376 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.173 30.988 -15.422 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.845 29.291 -13.271 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.475 30.907 -13.019 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -9.964 28.339 -13.483 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.207 29.552 -12.243 1.00 62.23 H new ATOM 884 N LYS A 58 -6.042 30.233 -15.694 1.00 50.53 N ATOM 885 CA LYS A 58 -4.704 30.766 -15.916 1.00 42.02 C ATOM 886 C LYS A 58 -4.138 31.365 -14.632 1.00 73.23 C ATOM 887 O LYS A 58 -3.728 32.525 -14.605 1.00 73.04 O ATOM 888 CB LYS A 58 -4.732 31.827 -17.017 1.00 61.50 C ATOM 889 CG LYS A 58 -5.311 31.327 -18.330 1.00 44.31 C ATOM 890 CD LYS A 58 -4.247 31.243 -19.412 1.00 22.35 C ATOM 891 CE LYS A 58 -3.216 30.170 -19.099 1.00 42.41 C ATOM 892 NZ LYS A 58 -3.734 28.804 -19.387 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.136 29.237 -15.892 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.059 29.944 -16.228 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.317 32.680 -16.673 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.717 32.186 -17.190 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.758 30.344 -18.181 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -6.109 31.994 -18.654 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.718 31.027 -20.371 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.750 32.208 -19.511 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.316 30.349 -19.687 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -2.930 30.236 -18.049 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -3.015 28.098 -19.129 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -4.598 28.636 -18.833 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -3.952 28.722 -20.401 1.00 3.31 H new ATOM 906 N VAL A 59 -4.120 30.567 -13.569 1.00 2.35 N ATOM 907 CA VAL A 59 -3.603 31.019 -12.282 1.00 3.13 C ATOM 908 C VAL A 59 -2.785 29.924 -11.605 1.00 32.04 C ATOM 909 O VAL A 59 -3.261 28.805 -11.419 1.00 24.43 O ATOM 910 CB VAL A 59 -4.741 31.452 -11.340 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.711 30.302 -11.110 1.00 75.04 C ATOM 912 CG2 VAL A 59 -4.176 31.957 -10.021 1.00 61.33 C ATOM 0 H VAL A 59 -4.457 29.604 -13.573 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.962 31.878 -12.482 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.289 32.268 -11.811 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.509 30.627 -10.442 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.140 29.992 -12.063 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.180 29.463 -10.660 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.994 32.259 -9.367 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.603 31.163 -9.543 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.526 32.812 -10.207 1.00 61.33 H new ATOM 922 N ASP A 60 -1.553 30.255 -11.239 1.00 14.15 N ATOM 923 CA ASP A 60 -0.668 29.302 -10.579 1.00 22.51 C ATOM 924 C ASP A 60 -1.121 29.041 -9.146 1.00 13.20 C ATOM 925 O ASP A 60 -1.232 29.968 -8.342 1.00 44.21 O ATOM 926 CB ASP A 60 0.772 29.819 -10.587 1.00 60.44 C ATOM 927 CG ASP A 60 1.404 29.753 -11.963 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.981 28.898 -12.769 1.00 43.53 O1- ATOM 929 OD2 ASP A 60 2.322 30.556 -12.234 1.00 45.21 O ATOM 0 H ASP A 60 -1.143 31.177 -11.388 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.711 28.363 -11.131 1.00 22.51 H new ATOM 0 HB2 ASP A 60 0.787 30.850 -10.233 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.369 29.233 -9.888 1.00 60.44 H new ATOM 934 N ARG A 61 -1.381 27.776 -8.833 1.00 3.03 N ATOM 935 CA ARG A 61 -1.825 27.395 -7.497 1.00 14.00 C ATOM 936 C ARG A 61 -0.879 26.367 -6.885 1.00 1.23 C ATOM 937 O ARG A 61 -0.270 25.566 -7.594 1.00 63.34 O ATOM 938 CB ARG A 61 -3.245 26.829 -7.552 1.00 5.22 C ATOM 939 CG ARG A 61 -4.255 27.778 -8.175 1.00 53.15 C ATOM 940 CD ARG A 61 -5.259 28.278 -7.149 1.00 54.13 C ATOM 941 NE ARG A 61 -6.409 27.387 -7.029 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.416 27.365 -7.895 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.413 28.181 -8.940 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.428 26.526 -7.718 1.00 12.20 N ATOM 0 H ARG A 61 -1.292 26.997 -9.486 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.821 28.286 -6.870 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.235 25.899 -8.120 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.568 26.581 -6.541 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.733 28.626 -8.618 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.782 27.271 -8.983 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.770 28.371 -6.179 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.600 29.274 -7.431 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.441 26.746 -6.236 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.636 28.827 -9.080 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.187 28.162 -9.604 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.434 25.896 -6.916 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.200 26.511 -8.384 1.00 12.20 H new ATOM 958 N CYS A 62 -0.760 26.395 -5.562 1.00 42.04 N ATOM 959 CA CYS A 62 0.112 25.467 -4.851 1.00 0.35 C ATOM 960 C CYS A 62 -0.369 24.029 -5.022 1.00 41.03 C ATOM 961 O CYS A 62 -1.552 23.735 -4.851 1.00 41.35 O ATOM 962 CB CYS A 62 0.168 25.824 -3.365 1.00 62.15 C ATOM 963 SG CYS A 62 1.032 24.593 -2.337 1.00 73.51 S ATOM 0 H CYS A 62 -1.257 27.051 -4.960 1.00 42.04 H new ATOM 0 HA CYS A 62 1.112 25.550 -5.276 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.664 26.788 -3.252 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.849 25.943 -2.992 1.00 62.15 H new ATOM 968 N TYR A 63 0.556 23.139 -5.361 1.00 45.52 N ATOM 969 CA TYR A 63 0.226 21.732 -5.558 1.00 14.20 C ATOM 970 C TYR A 63 1.295 20.831 -4.943 1.00 21.05 C ATOM 971 O TYR A 63 2.434 21.250 -4.743 1.00 3.33 O ATOM 972 CB TYR A 63 0.081 21.424 -7.049 1.00 45.41 C ATOM 973 CG TYR A 63 1.364 21.591 -7.831 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.320 20.584 -7.856 1.00 1.01 C ATOM 975 CD2 TYR A 63 1.620 22.756 -8.543 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.495 20.732 -8.569 1.00 53.34 C ATOM 977 CE2 TYR A 63 2.791 22.913 -9.259 1.00 13.22 C ATOM 978 CZ TYR A 63 3.725 21.898 -9.268 1.00 70.24 C ATOM 979 OH TYR A 63 4.893 22.051 -9.979 1.00 43.32 O ATOM 0 H TYR A 63 1.540 23.366 -5.505 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.723 21.534 -5.059 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.275 20.401 -7.167 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.681 22.078 -7.474 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.142 19.670 -7.309 1.00 1.01 H new ATOM 0 HD2 TYR A 63 0.891 23.553 -8.537 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.228 19.939 -8.578 1.00 53.34 H new ATOM 0 HE2 TYR A 63 2.974 23.825 -9.808 1.00 13.22 H new ATOM 0 HH TYR A 63 4.898 22.929 -10.415 1.00 43.32 H new ATOM 989 N ILE A 64 0.915 19.593 -4.650 1.00 55.33 N ATOM 990 CA ILE A 64 1.838 18.631 -4.061 1.00 5.43 C ATOM 991 C ILE A 64 1.565 17.220 -4.573 1.00 12.54 C ATOM 992 O ILE A 64 0.459 16.700 -4.428 1.00 4.15 O ATOM 993 CB ILE A 64 1.749 18.633 -2.523 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.109 20.015 -1.971 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.664 17.568 -1.937 1.00 44.01 C ATOM 996 CD1 ILE A 64 1.973 20.119 -0.468 1.00 11.12 C ATOM 0 H ILE A 64 -0.025 19.232 -4.811 1.00 55.33 H new ATOM 0 HA ILE A 64 2.841 18.935 -4.359 1.00 5.43 H new ATOM 0 HB ILE A 64 0.724 18.402 -2.233 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.135 20.254 -2.252 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.468 20.762 -2.438 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.589 17.582 -0.850 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.366 16.588 -2.308 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.693 17.770 -2.233 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.244 21.125 -0.147 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.942 19.912 -0.181 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.635 19.395 0.008 1.00 11.12 H new ATOM 1008 N CYS A 65 2.583 16.606 -5.169 1.00 21.21 N ATOM 1009 CA CYS A 65 2.454 15.256 -5.702 1.00 73.21 C ATOM 1010 C CYS A 65 3.528 14.339 -5.123 1.00 10.41 C ATOM 1011 O CYS A 65 4.612 14.790 -4.759 1.00 53.41 O ATOM 1012 CB CYS A 65 2.553 15.276 -7.229 1.00 24.12 C ATOM 1013 SG CYS A 65 1.273 16.285 -8.044 1.00 3.43 S ATOM 0 H CYS A 65 3.506 17.023 -5.294 1.00 21.21 H new ATOM 0 HA CYS A 65 1.476 14.870 -5.414 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.535 15.654 -7.514 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.485 14.253 -7.600 1.00 24.12 H new ATOM 1018 N ASN A 66 3.217 13.049 -5.044 1.00 44.32 N ATOM 1019 CA ASN A 66 4.154 12.067 -4.510 1.00 53.41 C ATOM 1020 C ASN A 66 5.356 11.903 -5.435 1.00 40.54 C ATOM 1021 O ASN A 66 5.312 12.299 -6.600 1.00 42.44 O ATOM 1022 CB ASN A 66 3.458 10.719 -4.317 1.00 4.34 C ATOM 1023 CG ASN A 66 2.917 10.155 -5.616 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.900 10.837 -6.641 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.470 8.906 -5.577 1.00 12.22 N ATOM 0 H ASN A 66 2.323 12.659 -5.343 1.00 44.32 H new ATOM 0 HA ASN A 66 4.507 12.427 -3.544 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.161 10.009 -3.881 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.640 10.834 -3.606 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.092 8.473 -6.420 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.504 8.379 -4.704 1.00 12.22 H new ATOM 1032 N ASN A 67 6.426 11.318 -4.909 1.00 11.55 N ATOM 1033 CA ASN A 67 7.639 11.102 -5.688 1.00 15.23 C ATOM 1034 C ASN A 67 7.351 10.244 -6.916 1.00 64.24 C ATOM 1035 O ASN A 67 8.058 10.326 -7.922 1.00 61.44 O ATOM 1036 CB ASN A 67 8.712 10.433 -4.825 1.00 20.14 C ATOM 1037 CG ASN A 67 9.726 11.425 -4.290 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.447 12.620 -4.184 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.912 10.934 -3.951 1.00 24.13 N ATOM 0 H ASN A 67 6.478 10.985 -3.946 1.00 11.55 H new ATOM 0 HA ASN A 67 8.004 12.073 -6.022 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.235 9.920 -3.990 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.227 9.674 -5.414 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.635 11.554 -3.586 1.00 24.13 H new ATOM 0 HD22 ASN A 67 11.100 9.937 -4.055 1.00 24.13 H new ATOM 1046 N GLU A 68 6.311 9.422 -6.827 1.00 2.34 N ATOM 1047 CA GLU A 68 5.930 8.550 -7.931 1.00 64.21 C ATOM 1048 C GLU A 68 5.139 9.319 -8.985 1.00 23.15 C ATOM 1049 O GLU A 68 4.879 8.811 -10.077 1.00 62.10 O ATOM 1050 CB GLU A 68 5.103 7.370 -7.417 1.00 13.03 C ATOM 1051 CG GLU A 68 5.677 6.724 -6.166 1.00 32.42 C ATOM 1052 CD GLU A 68 5.257 5.274 -6.015 1.00 43.55 C ATOM 1053 OE1 GLU A 68 4.127 5.029 -5.543 1.00 12.11 O ATOM 1054 OE2 GLU A 68 6.061 4.385 -6.368 1.00 63.23 O1- ATOM 0 H GLU A 68 5.717 9.342 -6.002 1.00 2.34 H new ATOM 0 HA GLU A 68 6.842 8.171 -8.392 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.089 7.711 -7.207 1.00 13.03 H new ATOM 0 HB3 GLU A 68 5.030 6.618 -8.203 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.765 6.782 -6.198 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.353 7.286 -5.290 1.00 32.42 H new ATOM 1061 N LYS A 69 4.758 10.547 -8.649 1.00 71.44 N ATOM 1062 CA LYS A 69 3.996 11.388 -9.565 1.00 40.30 C ATOM 1063 C LYS A 69 2.754 10.660 -10.069 1.00 12.13 C ATOM 1064 O LYS A 69 2.323 10.857 -11.206 1.00 32.33 O ATOM 1065 CB LYS A 69 4.869 11.809 -10.750 1.00 41.01 C ATOM 1066 CG LYS A 69 5.860 12.909 -10.415 1.00 21.00 C ATOM 1067 CD LYS A 69 6.530 13.457 -11.664 1.00 71.15 C ATOM 1068 CE LYS A 69 7.747 14.302 -11.319 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.801 13.501 -10.637 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.964 10.982 -7.750 1.00 71.44 H new ATOM 0 HA LYS A 69 3.678 12.277 -9.021 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.415 10.939 -11.116 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.226 12.146 -11.563 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.346 13.716 -9.893 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.618 12.522 -9.735 1.00 21.00 H new ATOM 0 HD2 LYS A 69 6.830 12.631 -12.309 1.00 71.15 H new ATOM 0 HD3 LYS A 69 5.816 14.058 -12.227 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.156 14.740 -12.230 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.445 15.128 -10.676 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.724 13.963 -10.763 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.583 13.433 -9.622 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.833 12.547 -11.049 1.00 61.00 H new ATOM 1083 N THR A 70 2.180 9.818 -9.215 1.00 30.31 N ATOM 1084 CA THR A 70 0.987 9.060 -9.573 1.00 22.31 C ATOM 1085 C THR A 70 -0.254 9.646 -8.911 1.00 43.33 C ATOM 1086 O THR A 70 -1.362 9.534 -9.438 1.00 43.31 O ATOM 1087 CB THR A 70 1.121 7.580 -9.170 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.135 7.459 -7.744 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.391 6.974 -9.748 1.00 43.40 C ATOM 0 H THR A 70 2.522 9.644 -8.270 1.00 30.31 H new ATOM 0 HA THR A 70 0.883 9.125 -10.656 1.00 22.31 H new ATOM 0 HB THR A 70 0.264 7.039 -9.571 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.529 6.598 -7.493 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.464 5.928 -9.450 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.363 7.040 -10.836 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.257 7.519 -9.373 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.064 10.270 -7.754 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.170 10.874 -7.020 1.00 63.21 C ATOM 1099 C LEU A 71 -0.899 12.350 -6.743 1.00 74.32 C ATOM 1100 O LEU A 71 0.237 12.742 -6.466 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.401 10.130 -5.704 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.800 10.254 -5.099 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.688 9.113 -5.567 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.725 10.284 -3.579 1.00 23.13 C ATOM 0 H LEU A 71 0.846 10.371 -7.304 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.066 10.798 -7.635 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.189 9.073 -5.865 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.678 10.492 -4.973 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.239 11.192 -5.440 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.679 9.219 -5.126 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.770 9.138 -6.654 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.253 8.163 -5.258 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.730 10.373 -3.167 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.265 9.364 -3.219 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.126 11.137 -3.261 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.946 13.163 -6.815 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.822 14.595 -6.571 1.00 32.24 C ATOM 1118 C CYS A 72 -3.077 15.142 -5.898 1.00 44.23 C ATOM 1119 O CYS A 72 -4.152 14.546 -5.984 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.568 15.337 -7.884 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.040 14.835 -8.738 1.00 43.01 S ATOM 0 H CYS A 72 -2.892 12.855 -7.041 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.975 14.753 -5.903 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.415 15.174 -8.551 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.524 16.407 -7.681 1.00 15.44 H new ATOM 1126 N THR A 73 -2.935 16.282 -5.229 1.00 61.13 N ATOM 1127 CA THR A 73 -4.056 16.910 -4.541 1.00 22.22 C ATOM 1128 C THR A 73 -5.252 17.071 -5.473 1.00 44.15 C ATOM 1129 O THR A 73 -5.092 17.319 -6.668 1.00 61.12 O ATOM 1130 CB THR A 73 -3.668 18.291 -3.980 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.599 18.851 -4.751 1.00 31.14 O ATOM 1132 CG2 THR A 73 -3.246 18.185 -2.522 1.00 55.11 C ATOM 0 H THR A 73 -2.054 16.789 -5.149 1.00 61.13 H new ATOM 0 HA THR A 73 -4.328 16.253 -3.715 1.00 22.22 H new ATOM 0 HB THR A 73 -4.541 18.941 -4.043 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.360 19.730 -4.389 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.977 19.173 -2.148 1.00 55.11 H new ATOM 0 HG22 THR A 73 -4.072 17.787 -1.932 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.387 17.519 -2.439 1.00 55.11 H new ATOM 1140 N SER A 74 -6.452 16.928 -4.918 1.00 30.10 N ATOM 1141 CA SER A 74 -7.675 17.054 -5.700 1.00 62.43 C ATOM 1142 C SER A 74 -7.708 18.385 -6.447 1.00 35.40 C ATOM 1143 O SER A 74 -7.153 19.381 -5.988 1.00 60.23 O ATOM 1144 CB SER A 74 -8.901 16.938 -4.791 1.00 23.42 C ATOM 1145 OG SER A 74 -10.090 16.815 -5.552 1.00 21.12 O ATOM 0 H SER A 74 -6.602 16.725 -3.930 1.00 30.10 H new ATOM 0 HA SER A 74 -7.694 16.245 -6.431 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.793 16.072 -4.138 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.966 17.816 -4.149 1.00 23.42 H new ATOM 0 HG SER A 74 -10.858 16.741 -4.948 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.362 18.391 -7.605 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.470 19.596 -8.416 1.00 11.13 C ATOM 1153 C VAL A 75 -9.079 20.744 -7.619 1.00 25.41 C ATOM 1154 O VAL A 75 -8.837 21.914 -7.913 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.322 19.351 -9.676 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.749 18.991 -9.293 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.295 20.573 -10.583 1.00 0.01 C ATOM 0 H VAL A 75 -8.825 17.573 -8.002 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.458 19.865 -8.718 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.896 18.511 -10.225 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.336 18.821 -10.196 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.746 18.085 -8.687 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.190 19.808 -8.722 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.902 20.383 -11.468 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.696 21.433 -10.047 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.268 20.780 -10.885 1.00 0.01 H new ATOM 1167 N MET A 76 -9.872 20.400 -6.609 1.00 43.31 N ATOM 1168 CA MET A 76 -10.516 21.402 -5.767 1.00 43.13 C ATOM 1169 C MET A 76 -10.744 20.863 -4.358 1.00 51.03 C ATOM 1170 O MET A 76 -11.474 19.890 -4.167 1.00 70.34 O ATOM 1171 CB MET A 76 -11.847 21.836 -6.382 1.00 71.42 C ATOM 1172 CG MET A 76 -12.760 20.675 -6.738 1.00 32.35 C ATOM 1173 SD MET A 76 -14.174 21.183 -7.735 1.00 71.52 S ATOM 1174 CE MET A 76 -15.291 21.768 -6.463 1.00 75.53 C ATOM 0 H MET A 76 -10.084 19.435 -6.354 1.00 43.31 H new ATOM 0 HA MET A 76 -9.855 22.266 -5.703 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.364 22.493 -5.682 1.00 71.42 H new ATOM 0 HB3 MET A 76 -11.649 22.420 -7.281 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.189 19.922 -7.282 1.00 32.35 H new ATOM 0 HG3 MET A 76 -13.117 20.204 -5.822 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.215 22.117 -6.923 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.514 20.955 -5.772 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.824 22.589 -5.918 1.00 75.53 H new TER 1184 MET A 76