USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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= -0.406 K(o=0.06,f=-11!) USER MOD Set 1.2: A 70 THR OG1 : rot 90:sc= 0.466 USER MOD Set 2.1: A 17 ASN : amide:sc= -3.54 K(o=-4.3,f=-16!) USER MOD Set 2.2: A 33 GLN : amide:sc= -0.81 X(o=-4.3,f=-4.7) USER MOD Set 3.1: A 10 TYR OH : rot -26:sc= 1.85 USER MOD Set 3.2: A 12 TYR OH : rot 180:sc= 0.82 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.7!) USER MOD Single : A 11 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.18) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 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= 0.0707 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -1.27 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ 142:sc= 0.00281 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -167:sc= -0.0738 (180deg=-0.456) USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 0.239 4.327 -3.424 1.00 22.24 N ATOM 25 CA PRO A 3 0.002 5.762 -3.247 1.00 51.53 C ATOM 26 C PRO A 3 -1.362 6.053 -2.626 1.00 21.02 C ATOM 27 O PRO A 3 -2.361 5.430 -2.984 1.00 25.42 O ATOM 28 CB PRO A 3 0.068 6.313 -4.673 1.00 52.33 C ATOM 29 CG PRO A 3 -0.293 5.156 -5.541 1.00 61.01 C ATOM 30 CD PRO A 3 0.234 3.933 -4.841 1.00 71.24 C ATOM 0 HA PRO A 3 0.726 6.213 -2.568 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.626 7.143 -4.810 1.00 52.33 H new ATOM 0 HB3 PRO A 3 1.064 6.688 -4.907 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.373 5.093 -5.678 1.00 61.01 H new ATOM 0 HG3 PRO A 3 0.148 5.259 -6.532 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.402 3.065 -5.015 1.00 71.24 H new ATOM 0 HD3 PRO A 3 1.233 3.670 -5.189 1.00 71.24 H new ATOM 38 N SER A 4 -1.393 7.001 -1.697 1.00 53.30 N ATOM 39 CA SER A 4 -2.634 7.371 -1.023 1.00 1.23 C ATOM 40 C SER A 4 -2.650 8.861 -0.696 1.00 70.21 C ATOM 41 O SER A 4 -1.661 9.565 -0.901 1.00 72.45 O ATOM 42 CB SER A 4 -2.808 6.554 0.258 1.00 45.22 C ATOM 43 OG SER A 4 -4.178 6.396 0.580 1.00 21.10 O ATOM 0 H SER A 4 -0.574 7.528 -1.393 1.00 53.30 H new ATOM 0 HA SER A 4 -3.463 7.155 -1.697 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.345 5.575 0.134 1.00 45.22 H new ATOM 0 HB3 SER A 4 -2.292 7.049 1.081 1.00 45.22 H new ATOM 0 HG SER A 4 -4.262 5.869 1.402 1.00 21.10 H new ATOM 49 N ALA A 5 -3.782 9.336 -0.186 1.00 44.51 N ATOM 50 CA ALA A 5 -3.928 10.741 0.172 1.00 71.53 C ATOM 51 C ALA A 5 -2.851 11.170 1.162 1.00 64.50 C ATOM 52 O ALA A 5 -2.509 12.350 1.250 1.00 75.23 O ATOM 53 CB ALA A 5 -5.313 10.996 0.751 1.00 50.33 C ATOM 0 H ALA A 5 -4.611 8.768 -0.012 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.809 11.336 -0.733 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.409 12.049 1.014 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.070 10.736 0.011 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.453 10.385 1.643 1.00 50.33 H new ATOM 59 N ASP A 6 -2.320 10.206 1.905 1.00 73.12 N ATOM 60 CA ASP A 6 -1.280 10.485 2.889 1.00 73.34 C ATOM 61 C ASP A 6 0.036 10.839 2.204 1.00 50.31 C ATOM 62 O ASP A 6 0.871 11.544 2.771 1.00 61.44 O ATOM 63 CB ASP A 6 -1.082 9.280 3.810 1.00 32.21 C ATOM 64 CG ASP A 6 -0.156 9.582 4.971 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.589 10.283 5.908 1.00 72.44 O ATOM 66 OD2 ASP A 6 1.005 9.120 4.940 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.592 9.225 1.845 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.599 11.339 3.486 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.050 8.959 4.195 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.677 8.449 3.233 1.00 32.21 H new ATOM 71 N GLN A 7 0.213 10.343 0.983 1.00 61.34 N ATOM 72 CA GLN A 7 1.429 10.607 0.222 1.00 33.32 C ATOM 73 C GLN A 7 1.436 12.034 -0.316 1.00 30.12 C ATOM 74 O GLN A 7 2.496 12.623 -0.528 1.00 65.14 O ATOM 75 CB GLN A 7 1.558 9.612 -0.933 1.00 3.44 C ATOM 76 CG GLN A 7 2.099 8.255 -0.510 1.00 3.33 C ATOM 77 CD GLN A 7 3.612 8.186 -0.573 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.238 8.796 -1.442 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.210 7.441 0.350 1.00 43.14 N ATOM 0 H GLN A 7 -0.469 9.757 0.501 1.00 61.34 H new ATOM 0 HA GLN A 7 2.281 10.488 0.892 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.580 9.476 -1.395 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.214 10.034 -1.694 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.771 8.038 0.507 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.677 7.483 -1.153 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.653 6.953 1.051 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.227 7.357 0.358 1.00 43.14 H new ATOM 88 N VAL A 8 0.247 12.583 -0.537 1.00 11.23 N ATOM 89 CA VAL A 8 0.115 13.942 -1.051 1.00 70.32 C ATOM 90 C VAL A 8 -0.076 14.941 0.084 1.00 51.41 C ATOM 91 O VAL A 8 -0.629 16.023 -0.115 1.00 2.43 O ATOM 92 CB VAL A 8 -1.067 14.059 -2.031 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.789 13.272 -3.302 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.354 13.587 -1.371 1.00 21.21 C ATOM 0 H VAL A 8 -0.640 12.108 -0.368 1.00 11.23 H new ATOM 0 HA VAL A 8 1.039 14.172 -1.581 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.188 15.108 -2.303 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.636 13.367 -3.982 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.108 13.663 -3.783 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.639 12.221 -3.054 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.179 13.676 -2.077 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.247 12.545 -1.068 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.559 14.201 -0.494 1.00 21.21 H new ATOM 104 N ARG A 9 0.385 14.574 1.273 1.00 23.24 N ATOM 105 CA ARG A 9 0.264 15.438 2.441 1.00 13.23 C ATOM 106 C ARG A 9 1.292 16.566 2.391 1.00 52.15 C ATOM 107 O ARG A 9 2.091 16.651 1.459 1.00 24.40 O ATOM 108 CB ARG A 9 0.443 14.626 3.725 1.00 64.10 C ATOM 109 CG ARG A 9 -0.794 13.841 4.127 1.00 33.12 C ATOM 110 CD ARG A 9 -1.794 14.716 4.867 1.00 30.54 C ATOM 111 NE ARG A 9 -2.584 13.952 5.827 1.00 63.31 N ATOM 112 CZ ARG A 9 -3.248 14.503 6.837 1.00 44.51 C ATOM 113 NH1 ARG A 9 -3.216 15.817 7.018 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -3.947 13.741 7.669 1.00 52.12 N ATOM 0 H ARG A 9 0.847 13.683 1.454 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.733 15.877 2.435 1.00 13.23 H new ATOM 0 HB2 ARG A 9 1.275 13.934 3.594 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.714 15.301 4.537 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.264 13.421 3.238 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.504 13.003 4.760 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.263 15.513 5.387 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.460 15.193 4.148 1.00 30.54 H new ATOM 0 HE ARG A 9 -2.629 12.939 5.716 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -2.681 16.407 6.381 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -3.727 16.237 7.794 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -3.975 12.730 7.533 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -4.456 14.166 8.444 1.00 52.12 H new ATOM 128 N TYR A 10 1.265 17.429 3.401 1.00 14.33 N ATOM 129 CA TYR A 10 2.191 18.553 3.471 1.00 71.55 C ATOM 130 C TYR A 10 2.608 18.825 4.913 1.00 52.43 C ATOM 131 O TYR A 10 1.927 18.424 5.854 1.00 74.35 O ATOM 132 CB TYR A 10 1.552 19.806 2.868 1.00 34.44 C ATOM 133 CG TYR A 10 0.493 20.429 3.748 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.834 21.358 4.725 1.00 21.35 C ATOM 135 CD2 TYR A 10 -0.845 20.090 3.605 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.130 21.930 5.533 1.00 1.11 C ATOM 137 CE2 TYR A 10 -1.817 20.659 4.407 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.454 21.578 5.369 1.00 2.14 C ATOM 139 OH TYR A 10 -2.418 22.146 6.171 1.00 11.10 O ATOM 0 H TYR A 10 0.612 17.371 4.182 1.00 14.33 H new ATOM 0 HA TYR A 10 3.081 18.295 2.897 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.331 20.543 2.674 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.108 19.550 1.906 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.869 21.637 4.854 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.132 19.369 2.854 1.00 40.41 H new ATOM 0 HE1 TYR A 10 0.151 22.649 6.289 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -2.854 20.385 4.281 1.00 61.22 H new ATOM 0 HH TYR A 10 -2.014 22.427 7.019 1.00 11.10 H new ATOM 149 N ASN A 11 3.734 19.512 5.076 1.00 42.23 N ATOM 150 CA ASN A 11 4.244 19.839 6.403 1.00 42.31 C ATOM 151 C ASN A 11 4.341 21.350 6.590 1.00 20.03 C ATOM 152 O ASN A 11 4.685 22.081 5.660 1.00 44.41 O ATOM 153 CB ASN A 11 5.619 19.198 6.616 1.00 13.35 C ATOM 154 CG ASN A 11 6.371 19.820 7.775 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.908 19.796 8.916 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.541 20.379 7.488 1.00 62.24 N ATOM 0 H ASN A 11 4.310 19.853 4.307 1.00 42.23 H new ATOM 0 HA ASN A 11 3.547 19.443 7.142 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.495 18.130 6.797 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.210 19.300 5.706 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.095 20.811 8.227 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.886 20.376 6.528 1.00 62.24 H new ATOM 163 N TYR A 12 4.038 21.811 7.798 1.00 45.02 N ATOM 164 CA TYR A 12 4.088 23.235 8.109 1.00 72.31 C ATOM 165 C TYR A 12 5.528 23.697 8.308 1.00 31.24 C ATOM 166 O TYR A 12 6.212 23.258 9.231 1.00 51.10 O ATOM 167 CB TYR A 12 3.267 23.534 9.364 1.00 11.32 C ATOM 168 CG TYR A 12 1.773 23.482 9.135 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.133 24.450 8.371 1.00 5.04 C ATOM 170 CD2 TYR A 12 1.000 22.465 9.684 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.232 24.408 8.161 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.365 22.413 9.479 1.00 33.51 C ATOM 173 CZ TYR A 12 -0.976 23.386 8.716 1.00 53.13 C ATOM 174 OH TYR A 12 -2.336 23.340 8.508 1.00 31.24 O ATOM 0 H TYR A 12 3.755 21.219 8.579 1.00 45.02 H new ATOM 0 HA TYR A 12 3.662 23.781 7.267 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.532 22.817 10.141 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.535 24.523 9.737 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.713 25.249 7.934 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.476 21.702 10.282 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.714 25.170 7.566 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -0.950 21.616 9.913 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.711 22.558 8.965 1.00 31.24 H new ATOM 184 N THR A 13 5.981 24.591 7.434 1.00 52.44 N ATOM 185 CA THR A 13 7.338 25.115 7.511 1.00 21.44 C ATOM 186 C THR A 13 7.335 26.634 7.632 1.00 1.51 C ATOM 187 O THR A 13 6.307 27.279 7.434 1.00 61.40 O ATOM 188 CB THR A 13 8.169 24.711 6.278 1.00 0.51 C ATOM 189 OG1 THR A 13 7.647 25.348 5.105 1.00 12.51 O ATOM 190 CG2 THR A 13 8.156 23.201 6.089 1.00 33.31 C ATOM 0 H THR A 13 5.427 24.967 6.665 1.00 52.44 H new ATOM 0 HA THR A 13 7.792 24.683 8.403 1.00 21.44 H new ATOM 0 HB THR A 13 9.198 25.033 6.439 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.182 25.088 4.326 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.749 22.939 5.213 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.580 22.720 6.971 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.130 22.861 5.948 1.00 33.31 H new ATOM 198 N GLU A 14 8.494 27.200 7.956 1.00 33.12 N ATOM 199 CA GLU A 14 8.623 28.645 8.103 1.00 45.32 C ATOM 200 C GLU A 14 9.140 29.279 6.813 1.00 72.14 C ATOM 201 O GLU A 14 9.869 28.648 6.048 1.00 2.41 O ATOM 202 CB GLU A 14 9.563 28.981 9.262 1.00 43.44 C ATOM 203 CG GLU A 14 8.921 29.843 10.337 1.00 35.42 C ATOM 204 CD GLU A 14 9.926 30.350 11.354 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.961 29.680 11.551 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.675 31.416 11.954 1.00 31.43 O1- ATOM 0 H GLU A 14 9.356 26.680 8.121 1.00 33.12 H new ATOM 0 HA GLU A 14 7.635 29.052 8.317 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.915 28.054 9.714 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.439 29.497 8.870 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.424 30.692 9.868 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.151 29.266 10.849 1.00 35.42 H new ATOM 213 N LEU A 15 8.758 30.530 6.582 1.00 31.01 N ATOM 214 CA LEU A 15 9.181 31.250 5.386 1.00 75.52 C ATOM 215 C LEU A 15 9.925 32.528 5.756 1.00 52.53 C ATOM 216 O LEU A 15 9.794 33.055 6.860 1.00 52.44 O ATOM 217 CB LEU A 15 7.971 31.585 4.514 1.00 45.14 C ATOM 218 CG LEU A 15 7.468 30.464 3.602 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.027 30.718 3.189 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.362 30.332 2.378 1.00 34.00 C ATOM 0 H LEU A 15 8.156 31.067 7.207 1.00 31.01 H new ATOM 0 HA LEU A 15 9.858 30.607 4.824 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.152 31.891 5.166 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.223 32.445 3.894 1.00 45.14 H new ATOM 0 HG LEU A 15 7.504 29.526 4.156 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.687 29.911 2.541 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.396 30.761 4.077 1.00 24.13 H new ATOM 0 HD13 LEU A 15 5.964 31.665 2.653 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.990 29.530 1.740 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.358 31.269 1.822 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.380 30.102 2.694 1.00 34.00 H new ATOM 232 N PRO A 16 10.727 33.042 4.810 1.00 52.33 N ATOM 233 CA PRO A 16 11.506 34.267 5.013 1.00 73.22 C ATOM 234 C PRO A 16 10.625 35.510 5.080 1.00 42.24 C ATOM 235 O PRO A 16 11.033 36.543 5.608 1.00 30.55 O ATOM 236 CB PRO A 16 12.410 34.319 3.780 1.00 54.14 C ATOM 237 CG PRO A 16 11.676 33.548 2.738 1.00 53.42 C ATOM 238 CD PRO A 16 10.932 32.466 3.470 1.00 70.53 C ATOM 0 HA PRO A 16 12.050 34.253 5.958 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.586 35.346 3.461 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.385 33.878 3.985 1.00 54.14 H new ATOM 0 HG2 PRO A 16 10.988 34.191 2.189 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.366 33.123 2.009 1.00 53.42 H new ATOM 0 HD2 PRO A 16 9.985 32.230 2.985 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.507 31.541 3.513 1.00 70.53 H new ATOM 246 N ASN A 17 9.414 35.402 4.542 1.00 3.13 N ATOM 247 CA ASN A 17 8.477 36.518 4.541 1.00 21.43 C ATOM 248 C ASN A 17 7.822 36.679 5.909 1.00 30.55 C ATOM 249 O ASN A 17 7.113 37.654 6.161 1.00 12.42 O ATOM 250 CB ASN A 17 7.403 36.309 3.472 1.00 30.03 C ATOM 251 CG ASN A 17 6.785 34.925 3.536 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.901 34.227 4.544 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.123 34.522 2.457 1.00 24.23 N ATOM 0 H ASN A 17 9.060 34.553 4.102 1.00 3.13 H new ATOM 0 HA ASN A 17 9.034 37.427 4.314 1.00 21.43 H new ATOM 0 HB2 ASN A 17 6.622 37.059 3.595 1.00 30.03 H new ATOM 0 HB3 ASN A 17 7.841 36.463 2.486 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.685 33.601 2.442 1.00 24.23 H new ATOM 0 HD22 ASN A 17 6.052 35.134 1.644 1.00 24.23 H new ATOM 260 N GLY A 18 8.065 35.715 6.793 1.00 75.24 N ATOM 261 CA GLY A 18 7.492 35.770 8.126 1.00 63.13 C ATOM 262 C GLY A 18 6.365 34.773 8.313 1.00 23.55 C ATOM 263 O GLY A 18 6.061 34.374 9.437 1.00 61.41 O ATOM 0 H GLY A 18 8.648 34.898 6.610 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.272 35.575 8.862 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.119 36.776 8.317 1.00 63.13 H new ATOM 267 N GLU A 19 5.741 34.373 7.210 1.00 64.42 N ATOM 268 CA GLU A 19 4.638 33.420 7.258 1.00 70.10 C ATOM 269 C GLU A 19 5.160 31.986 7.277 1.00 45.33 C ATOM 270 O GLU A 19 6.369 31.753 7.299 1.00 50.13 O ATOM 271 CB GLU A 19 3.707 33.621 6.060 1.00 2.11 C ATOM 272 CG GLU A 19 4.116 32.824 4.832 1.00 53.05 C ATOM 273 CD GLU A 19 3.562 33.409 3.547 1.00 73.31 C ATOM 274 OE1 GLU A 19 3.038 34.542 3.589 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 3.653 32.734 2.501 1.00 64.10 O ATOM 0 H GLU A 19 5.980 34.694 6.272 1.00 64.42 H new ATOM 0 HA GLU A 19 4.078 33.597 8.176 1.00 70.10 H new ATOM 0 HB2 GLU A 19 2.694 33.338 6.346 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.682 34.680 5.804 1.00 2.11 H new ATOM 0 HG2 GLU A 19 5.204 32.789 4.772 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.769 31.796 4.938 1.00 53.05 H new ATOM 282 N TYR A 20 4.239 31.029 7.268 1.00 61.53 N ATOM 283 CA TYR A 20 4.605 29.616 7.287 1.00 34.14 C ATOM 284 C TYR A 20 4.669 29.051 5.871 1.00 55.31 C ATOM 285 O TYR A 20 5.745 28.724 5.369 1.00 31.44 O ATOM 286 CB TYR A 20 3.601 28.819 8.121 1.00 60.13 C ATOM 287 CG TYR A 20 4.048 28.589 9.548 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.808 29.538 10.533 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.708 27.421 9.910 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.214 29.332 11.837 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.116 27.207 11.212 1.00 61.50 C ATOM 292 CZ TYR A 20 4.868 28.166 12.172 1.00 52.13 C ATOM 293 OH TYR A 20 5.274 27.955 13.470 1.00 70.22 O ATOM 0 H TYR A 20 3.234 31.205 7.248 1.00 61.53 H new ATOM 0 HA TYR A 20 5.593 29.529 7.739 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.647 29.347 8.128 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.428 27.855 7.643 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.295 30.453 10.275 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.905 26.668 9.161 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.020 30.081 12.590 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.627 26.293 11.477 1.00 61.50 H new ATOM 0 HH TYR A 20 5.718 27.084 13.536 1.00 70.22 H new ATOM 303 N CYS A 21 3.509 28.940 5.232 1.00 45.41 N ATOM 304 CA CYS A 21 3.431 28.415 3.875 1.00 22.34 C ATOM 305 C CYS A 21 2.007 28.513 3.335 1.00 21.40 C ATOM 306 O CYS A 21 1.037 28.433 4.091 1.00 34.13 O ATOM 307 CB CYS A 21 3.902 26.960 3.840 1.00 14.31 C ATOM 308 SG CYS A 21 2.738 25.783 4.602 1.00 72.04 S ATOM 0 H CYS A 21 2.610 29.207 5.633 1.00 45.41 H new ATOM 0 HA CYS A 21 4.084 29.016 3.242 1.00 22.34 H new ATOM 0 HB2 CYS A 21 4.070 26.669 2.803 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.862 26.888 4.351 1.00 14.31 H new ATOM 313 N TYR A 22 1.888 28.687 2.024 1.00 73.41 N ATOM 314 CA TYR A 22 0.583 28.799 1.382 1.00 25.14 C ATOM 315 C TYR A 22 -0.047 27.422 1.187 1.00 21.32 C ATOM 316 O TYR A 22 0.512 26.563 0.507 1.00 14.24 O ATOM 317 CB TYR A 22 0.713 29.510 0.034 1.00 71.24 C ATOM 318 CG TYR A 22 0.798 31.015 0.151 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.088 31.721 0.953 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.767 31.730 -0.543 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.014 33.097 1.060 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.850 33.105 -0.441 1.00 75.54 C ATOM 323 CZ TYR A 22 0.957 33.784 0.363 1.00 12.31 C ATOM 324 OH TYR A 22 1.035 35.154 0.468 1.00 10.53 O ATOM 0 H TYR A 22 2.680 28.754 1.384 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.065 29.386 2.032 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.603 29.143 -0.477 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.143 29.250 -0.589 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.848 31.186 1.503 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.467 31.201 -1.173 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.713 33.631 1.686 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.609 33.645 -0.987 1.00 75.54 H new ATOM 0 HH TYR A 22 1.774 35.483 -0.085 1.00 10.53 H new ATOM 334 N THR A 23 -1.216 27.223 1.788 1.00 31.22 N ATOM 335 CA THR A 23 -1.922 25.953 1.680 1.00 12.23 C ATOM 336 C THR A 23 -2.019 25.499 0.228 1.00 3.11 C ATOM 337 O THR A 23 -1.857 26.285 -0.705 1.00 50.51 O ATOM 338 CB THR A 23 -3.342 26.049 2.272 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.776 27.413 2.285 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.377 25.486 3.684 1.00 42.22 C ATOM 0 H THR A 23 -1.693 27.925 2.354 1.00 31.22 H new ATOM 0 HA THR A 23 -1.347 25.222 2.248 1.00 12.23 H new ATOM 0 HB THR A 23 -4.014 25.461 1.647 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.680 27.465 2.661 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.389 25.564 4.082 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.074 24.439 3.666 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.693 26.051 4.318 1.00 42.22 H new ATOM 348 N PRO A 24 -2.291 24.200 0.030 1.00 10.51 N ATOM 349 CA PRO A 24 -2.416 23.613 -1.306 1.00 1.33 C ATOM 350 C PRO A 24 -3.672 24.085 -2.032 1.00 0.42 C ATOM 351 O PRO A 24 -4.646 24.495 -1.402 1.00 21.20 O ATOM 352 CB PRO A 24 -2.495 22.109 -1.027 1.00 42.41 C ATOM 353 CG PRO A 24 -3.031 22.009 0.360 1.00 13.41 C ATOM 354 CD PRO A 24 -2.497 23.206 1.098 1.00 22.44 C ATOM 0 HA PRO A 24 -1.588 23.898 -1.955 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.148 21.608 -1.741 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.515 21.639 -1.108 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.121 22.006 0.358 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -2.711 21.082 0.836 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.202 23.563 1.849 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.567 22.976 1.618 1.00 22.44 H new ATOM 362 N ARG A 25 -3.639 24.027 -3.359 1.00 41.50 N ATOM 363 CA ARG A 25 -4.774 24.449 -4.170 1.00 11.30 C ATOM 364 C ARG A 25 -5.024 25.946 -4.016 1.00 42.24 C ATOM 365 O ARG A 25 -6.126 26.432 -4.274 1.00 30.50 O ATOM 366 CB ARG A 25 -6.029 23.668 -3.776 1.00 71.35 C ATOM 367 CG ARG A 25 -5.793 22.176 -3.617 1.00 24.20 C ATOM 368 CD ARG A 25 -7.091 21.432 -3.343 1.00 13.12 C ATOM 369 NE ARG A 25 -7.513 21.563 -1.951 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.352 20.721 -1.355 1.00 63.21 C ATOM 371 NH1 ARG A 25 -8.854 19.695 -2.026 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.688 20.908 -0.085 1.00 31.52 N ATOM 0 H ARG A 25 -2.839 23.692 -3.895 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.540 24.242 -5.214 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.416 24.068 -2.839 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.798 23.827 -4.532 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.330 21.781 -4.522 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.093 22.002 -2.799 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.874 21.816 -3.997 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.962 20.377 -3.585 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.144 22.343 -1.406 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.597 19.549 -3.002 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.497 19.051 -1.566 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.303 21.697 0.434 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.332 20.262 0.373 1.00 31.52 H new ATOM 386 N ARG A 26 -3.996 26.672 -3.591 1.00 23.54 N ATOM 387 CA ARG A 26 -4.104 28.114 -3.401 1.00 14.21 C ATOM 388 C ARG A 26 -3.250 28.863 -4.419 1.00 22.51 C ATOM 389 O ARG A 26 -2.216 28.364 -4.864 1.00 34.12 O ATOM 390 CB ARG A 26 -3.676 28.496 -1.982 1.00 32.13 C ATOM 391 CG ARG A 26 -4.637 29.450 -1.293 1.00 14.42 C ATOM 392 CD ARG A 26 -3.893 30.532 -0.525 1.00 12.23 C ATOM 393 NE ARG A 26 -4.771 31.257 0.390 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.613 32.209 0.002 1.00 71.13 C ATOM 395 NH1 ARG A 26 -5.691 32.549 -1.278 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -6.379 32.822 0.893 1.00 33.14 N ATOM 0 H ARG A 26 -3.078 26.286 -3.371 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.146 28.397 -3.549 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.584 27.590 -1.383 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.688 28.954 -2.020 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.288 29.912 -2.035 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.278 28.892 -0.610 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.076 30.080 0.038 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -3.445 31.233 -1.229 1.00 12.23 H new ATOM 0 HE ARG A 26 -4.736 31.019 1.381 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -5.104 32.079 -1.967 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -6.338 33.280 -1.573 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -6.323 32.563 1.878 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -7.025 33.553 0.594 1.00 33.14 H new ATOM 410 N ARG A 27 -3.691 30.063 -4.785 1.00 50.31 N ATOM 411 CA ARG A 27 -2.968 30.880 -5.752 1.00 40.43 C ATOM 412 C ARG A 27 -1.644 31.369 -5.170 1.00 64.30 C ATOM 413 O ARG A 27 -1.620 32.068 -4.157 1.00 33.14 O ATOM 414 CB ARG A 27 -3.820 32.074 -6.181 1.00 5.30 C ATOM 415 CG ARG A 27 -3.063 33.099 -7.009 1.00 61.13 C ATOM 416 CD ARG A 27 -3.993 34.166 -7.563 1.00 24.42 C ATOM 417 NE ARG A 27 -4.263 35.217 -6.587 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.418 36.207 -6.322 1.00 44.13 C ATOM 419 NH1 ARG A 27 -2.257 36.282 -6.955 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -3.735 37.127 -5.419 1.00 21.32 N ATOM 0 H ARG A 27 -4.545 30.490 -4.426 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.755 30.262 -6.624 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.672 31.713 -6.757 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.220 32.562 -5.292 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.295 33.568 -6.395 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.552 32.598 -7.831 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.549 34.606 -8.456 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.932 33.705 -7.868 1.00 24.42 H new ATOM 0 HE ARG A 27 -5.148 35.190 -6.081 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -2.008 35.578 -7.650 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -1.612 37.044 -6.748 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.628 37.074 -4.928 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -3.086 37.887 -5.216 1.00 21.32 H new ATOM 434 N CYS A 28 -0.546 30.996 -5.816 1.00 43.33 N ATOM 435 CA CYS A 28 0.782 31.394 -5.364 1.00 31.31 C ATOM 436 C CYS A 28 1.602 31.964 -6.518 1.00 63.13 C ATOM 437 O CYS A 28 1.227 31.835 -7.685 1.00 50.44 O ATOM 438 CB CYS A 28 1.513 30.201 -4.745 1.00 52.41 C ATOM 439 SG CYS A 28 1.599 28.739 -5.831 1.00 5.44 S ATOM 0 H CYS A 28 -0.549 30.417 -6.656 1.00 43.33 H new ATOM 0 HA CYS A 28 0.663 32.170 -4.608 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.526 30.505 -4.482 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.013 29.923 -3.817 1.00 52.41 H new ATOM 444 N THR A 29 2.722 32.597 -6.185 1.00 73.01 N ATOM 445 CA THR A 29 3.595 33.188 -7.192 1.00 32.12 C ATOM 446 C THR A 29 4.958 32.506 -7.206 1.00 33.55 C ATOM 447 O THR A 29 5.664 32.532 -8.214 1.00 51.13 O ATOM 448 CB THR A 29 3.791 34.697 -6.949 1.00 20.25 C ATOM 449 OG1 THR A 29 4.646 35.247 -7.956 1.00 30.25 O ATOM 450 CG2 THR A 29 4.389 34.951 -5.574 1.00 44.55 C ATOM 0 H THR A 29 3.046 32.714 -5.225 1.00 73.01 H new ATOM 0 HA THR A 29 3.109 33.043 -8.157 1.00 32.12 H new ATOM 0 HB THR A 29 2.815 35.180 -6.997 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.765 36.207 -7.796 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.518 36.023 -5.426 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.721 34.557 -4.808 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.357 34.456 -5.501 1.00 44.55 H new ATOM 458 N SER A 30 5.323 31.897 -6.082 1.00 63.54 N ATOM 459 CA SER A 30 6.604 31.210 -5.965 1.00 12.44 C ATOM 460 C SER A 30 6.431 29.849 -5.297 1.00 32.23 C ATOM 461 O SER A 30 5.661 29.704 -4.349 1.00 42.24 O ATOM 462 CB SER A 30 7.592 32.063 -5.167 1.00 1.42 C ATOM 463 OG SER A 30 7.283 33.441 -5.279 1.00 24.25 O ATOM 0 H SER A 30 4.749 31.865 -5.239 1.00 63.54 H new ATOM 0 HA SER A 30 6.999 31.054 -6.969 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.569 31.766 -4.118 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.605 31.884 -5.527 1.00 1.42 H new ATOM 0 HG SER A 30 7.928 33.964 -4.759 1.00 24.25 H new ATOM 469 N ALA A 31 7.156 28.856 -5.800 1.00 62.45 N ATOM 470 CA ALA A 31 7.085 27.507 -5.252 1.00 32.30 C ATOM 471 C ALA A 31 7.546 27.481 -3.798 1.00 10.12 C ATOM 472 O ALA A 31 7.018 26.722 -2.983 1.00 65.45 O ATOM 473 CB ALA A 31 7.923 26.552 -6.089 1.00 44.20 C ATOM 0 H ALA A 31 7.799 28.960 -6.585 1.00 62.45 H new ATOM 0 HA ALA A 31 6.045 27.183 -5.283 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.861 25.549 -5.668 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.548 26.540 -7.112 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.962 26.882 -6.087 1.00 44.20 H new ATOM 479 N ASP A 32 8.532 28.310 -3.479 1.00 12.20 N ATOM 480 CA ASP A 32 9.064 28.383 -2.123 1.00 73.45 C ATOM 481 C ASP A 32 7.947 28.629 -1.115 1.00 71.20 C ATOM 482 O ASP A 32 7.975 28.105 -0.002 1.00 64.22 O ATOM 483 CB ASP A 32 10.114 29.490 -2.022 1.00 74.03 C ATOM 484 CG ASP A 32 11.007 29.332 -0.808 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.597 28.243 -0.644 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.117 30.296 -0.022 1.00 51.42 O1- ATOM 0 H ASP A 32 8.980 28.942 -4.142 1.00 12.20 H new ATOM 0 HA ASP A 32 9.534 27.427 -1.891 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.727 29.488 -2.923 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.614 30.458 -1.978 1.00 74.03 H new ATOM 491 N GLN A 33 6.965 29.434 -1.513 1.00 13.05 N ATOM 492 CA GLN A 33 5.840 29.751 -0.641 1.00 61.53 C ATOM 493 C GLN A 33 4.924 28.544 -0.472 1.00 21.20 C ATOM 494 O GLN A 33 4.455 28.256 0.630 1.00 62.33 O ATOM 495 CB GLN A 33 5.047 30.931 -1.207 1.00 1.33 C ATOM 496 CG GLN A 33 5.915 32.117 -1.595 1.00 24.41 C ATOM 497 CD GLN A 33 5.164 33.433 -1.539 1.00 55.02 C ATOM 498 OE1 GLN A 33 5.234 34.160 -0.547 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.440 33.746 -2.606 1.00 41.24 N ATOM 0 H GLN A 33 6.926 29.877 -2.431 1.00 13.05 H new ATOM 0 HA GLN A 33 6.237 30.023 0.337 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.490 30.597 -2.082 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.315 31.254 -0.467 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.776 32.166 -0.928 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.301 31.966 -2.603 1.00 24.41 H new ATOM 0 HE21 GLN A 33 4.411 33.114 -3.406 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.913 34.619 -2.626 1.00 41.24 H new ATOM 508 N CYS A 34 4.673 27.838 -1.570 1.00 20.44 N ATOM 509 CA CYS A 34 3.812 26.661 -1.545 1.00 42.12 C ATOM 510 C CYS A 34 4.280 25.670 -0.483 1.00 14.23 C ATOM 511 O CYS A 34 5.450 25.288 -0.447 1.00 24.15 O ATOM 512 CB CYS A 34 3.796 25.987 -2.918 1.00 20.31 C ATOM 513 SG CYS A 34 3.039 24.330 -2.922 1.00 43.23 S ATOM 0 H CYS A 34 5.054 28.061 -2.489 1.00 20.44 H new ATOM 0 HA CYS A 34 2.801 26.984 -1.295 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.255 26.624 -3.618 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.819 25.908 -3.285 1.00 20.31 H new ATOM 518 N CYS A 35 3.358 25.255 0.378 1.00 63.44 N ATOM 519 CA CYS A 35 3.673 24.308 1.440 1.00 62.12 C ATOM 520 C CYS A 35 4.385 23.080 0.880 1.00 75.41 C ATOM 521 O CYS A 35 4.051 22.595 -0.200 1.00 52.33 O ATOM 522 CB CYS A 35 2.395 23.882 2.169 1.00 15.41 C ATOM 523 SG CYS A 35 1.576 25.229 3.080 1.00 54.35 S ATOM 0 H CYS A 35 2.385 25.560 0.361 1.00 63.44 H new ATOM 0 HA CYS A 35 4.339 24.802 2.147 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.695 23.471 1.442 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.637 23.080 2.867 1.00 15.41 H new ATOM 528 N ARG A 36 5.369 22.583 1.624 1.00 74.42 N ATOM 529 CA ARG A 36 6.129 21.413 1.201 1.00 31.31 C ATOM 530 C ARG A 36 5.429 20.127 1.628 1.00 11.50 C ATOM 531 O ARG A 36 4.604 20.113 2.542 1.00 64.44 O ATOM 532 CB ARG A 36 7.541 21.457 1.788 1.00 74.21 C ATOM 533 CG ARG A 36 8.561 22.112 0.872 1.00 33.43 C ATOM 534 CD ARG A 36 9.876 22.364 1.593 1.00 52.41 C ATOM 535 NE ARG A 36 10.998 22.467 0.664 1.00 64.13 N ATOM 536 CZ ARG A 36 12.151 23.054 0.965 1.00 24.21 C ATOM 537 NH1 ARG A 36 12.333 23.588 2.165 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 13.125 23.108 0.066 1.00 13.25 N ATOM 0 H ARG A 36 5.658 22.972 2.521 1.00 74.42 H new ATOM 0 HA ARG A 36 6.194 21.427 0.113 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.515 21.997 2.734 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.865 20.440 2.010 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.736 21.474 0.006 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.163 23.055 0.498 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.801 23.283 2.174 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.063 21.555 2.299 1.00 52.41 H new ATOM 0 HE ARG A 36 10.890 22.066 -0.268 1.00 64.13 H new ATOM 0 HH11 ARG A 36 11.587 23.549 2.859 1.00 61.22 H new ATOM 0 HH12 ARG A 36 13.219 24.038 2.394 1.00 61.22 H new ATOM 0 HH21 ARG A 36 12.989 22.698 -0.858 1.00 13.25 H new ATOM 0 HH22 ARG A 36 14.010 23.559 0.299 1.00 13.25 H new ATOM 552 N PRO A 37 5.764 19.017 0.953 1.00 2.54 N ATOM 553 CA PRO A 37 5.179 17.705 1.244 1.00 73.11 C ATOM 554 C PRO A 37 5.646 17.148 2.585 1.00 25.00 C ATOM 555 O PRO A 37 6.753 17.440 3.038 1.00 22.30 O ATOM 556 CB PRO A 37 5.684 16.829 0.096 1.00 11.35 C ATOM 557 CG PRO A 37 6.944 17.483 -0.355 1.00 4.20 C ATOM 558 CD PRO A 37 6.740 18.959 -0.148 1.00 42.10 C ATOM 0 HA PRO A 37 4.092 17.750 1.317 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.866 15.807 0.429 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.954 16.776 -0.712 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.798 17.123 0.219 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.147 17.260 -1.403 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.672 19.461 0.114 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.360 19.442 -1.048 1.00 42.10 H new ATOM 566 N TYR A 38 4.796 16.344 3.214 1.00 62.25 N ATOM 567 CA TYR A 38 5.122 15.747 4.505 1.00 14.44 C ATOM 568 C TYR A 38 6.468 15.033 4.451 1.00 34.42 C ATOM 569 O TYR A 38 7.177 14.943 5.453 1.00 11.41 O ATOM 570 CB TYR A 38 4.026 14.765 4.927 1.00 22.13 C ATOM 571 CG TYR A 38 4.053 14.425 6.399 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.984 13.527 6.907 1.00 30.11 C ATOM 573 CD2 TYR A 38 3.150 15.002 7.283 1.00 41.20 C ATOM 574 CE1 TYR A 38 5.011 13.211 8.252 1.00 14.55 C ATOM 575 CE2 TYR A 38 3.171 14.693 8.630 1.00 22.03 C ATOM 576 CZ TYR A 38 4.102 13.798 9.108 1.00 53.42 C ATOM 577 OH TYR A 38 4.128 13.488 10.449 1.00 22.44 O ATOM 0 H TYR A 38 3.877 16.090 2.852 1.00 62.25 H new ATOM 0 HA TYR A 38 5.187 16.548 5.242 1.00 14.44 H new ATOM 0 HB2 TYR A 38 3.054 15.190 4.679 1.00 22.13 H new ATOM 0 HB3 TYR A 38 4.130 13.847 4.349 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.698 13.068 6.239 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.419 15.704 6.911 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.739 12.509 8.631 1.00 14.55 H new ATOM 0 HE2 TYR A 38 2.462 15.151 9.304 1.00 22.03 H new ATOM 0 HH TYR A 38 3.424 13.987 10.914 1.00 22.44 H new ATOM 587 N ASP A 39 6.814 14.526 3.272 1.00 32.30 N ATOM 588 CA ASP A 39 8.076 13.820 3.084 1.00 33.55 C ATOM 589 C ASP A 39 8.693 14.159 1.729 1.00 15.11 C ATOM 590 O ASP A 39 8.251 13.663 0.693 1.00 13.04 O ATOM 591 CB ASP A 39 7.863 12.310 3.198 1.00 24.25 C ATOM 592 CG ASP A 39 7.873 11.831 4.636 1.00 54.15 C ATOM 593 OD1 ASP A 39 8.739 12.292 5.409 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 7.015 10.995 4.989 1.00 4.51 O ATOM 0 H ASP A 39 6.238 14.591 2.433 1.00 32.30 H new ATOM 0 HA ASP A 39 8.763 14.142 3.866 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.912 12.044 2.736 1.00 24.25 H new ATOM 0 HB3 ASP A 39 8.644 11.793 2.640 1.00 24.25 H new ATOM 599 N THR A 40 9.713 15.010 1.747 1.00 42.33 N ATOM 600 CA THR A 40 10.389 15.417 0.521 1.00 51.22 C ATOM 601 C THR A 40 10.962 14.213 -0.218 1.00 5.24 C ATOM 602 O THR A 40 11.182 14.261 -1.429 1.00 55.42 O ATOM 603 CB THR A 40 11.524 16.416 0.810 1.00 52.44 C ATOM 604 OG1 THR A 40 12.094 16.150 2.097 1.00 3.03 O ATOM 605 CG2 THR A 40 11.012 17.847 0.763 1.00 32.04 C ATOM 0 H THR A 40 10.089 15.431 2.596 1.00 42.33 H new ATOM 0 HA THR A 40 9.640 15.901 -0.106 1.00 51.22 H new ATOM 0 HB THR A 40 12.288 16.296 0.042 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.816 16.788 2.273 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.832 18.534 0.970 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.605 18.056 -0.227 1.00 32.04 H new ATOM 0 HG23 THR A 40 10.231 17.979 1.511 1.00 32.04 H new ATOM 613 N THR A 41 11.203 13.133 0.519 1.00 61.40 N ATOM 614 CA THR A 41 11.750 11.915 -0.066 1.00 21.31 C ATOM 615 C THR A 41 10.657 11.081 -0.724 1.00 74.10 C ATOM 616 O THR A 41 10.941 10.097 -1.406 1.00 32.32 O ATOM 617 CB THR A 41 12.468 11.057 0.994 1.00 11.20 C ATOM 618 OG1 THR A 41 11.532 10.615 1.983 1.00 50.03 O ATOM 619 CG2 THR A 41 13.586 11.844 1.661 1.00 40.10 C ATOM 0 H THR A 41 11.028 13.077 1.522 1.00 61.40 H new ATOM 0 HA THR A 41 12.471 12.224 -0.823 1.00 21.31 H new ATOM 0 HB THR A 41 12.903 10.191 0.495 1.00 11.20 H new ATOM 0 HG1 THR A 41 11.996 10.069 2.652 1.00 50.03 H new ATOM 0 HG21 THR A 41 14.078 11.218 2.405 1.00 40.10 H new ATOM 0 HG22 THR A 41 14.312 12.153 0.909 1.00 40.10 H new ATOM 0 HG23 THR A 41 13.170 12.726 2.147 1.00 40.10 H new ATOM 627 N ALA A 42 9.407 11.482 -0.515 1.00 33.42 N ATOM 628 CA ALA A 42 8.272 10.771 -1.091 1.00 33.24 C ATOM 629 C ALA A 42 7.294 11.740 -1.748 1.00 22.22 C ATOM 630 O ALA A 42 6.138 11.400 -1.993 1.00 41.33 O ATOM 631 CB ALA A 42 7.566 9.950 -0.024 1.00 72.43 C ATOM 0 H ALA A 42 9.155 12.294 0.048 1.00 33.42 H new ATOM 0 HA ALA A 42 8.650 10.098 -1.861 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.721 9.425 -0.469 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.262 9.225 0.398 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.208 10.611 0.766 1.00 72.43 H new ATOM 637 N ALA A 43 7.767 12.950 -2.030 1.00 12.24 N ATOM 638 CA ALA A 43 6.936 13.967 -2.661 1.00 72.33 C ATOM 639 C ALA A 43 7.725 15.249 -2.904 1.00 51.10 C ATOM 640 O ALA A 43 8.830 15.417 -2.386 1.00 33.12 O ATOM 641 CB ALA A 43 5.713 14.254 -1.802 1.00 43.44 C ATOM 0 H ALA A 43 8.722 13.249 -1.831 1.00 12.24 H new ATOM 0 HA ALA A 43 6.608 13.585 -3.628 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.100 15.016 -2.284 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.130 13.341 -1.683 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.032 14.611 -0.823 1.00 43.44 H new ATOM 647 N PHE A 44 7.152 16.151 -3.694 1.00 14.41 N ATOM 648 CA PHE A 44 7.804 17.417 -4.008 1.00 61.30 C ATOM 649 C PHE A 44 6.793 18.561 -4.023 1.00 33.54 C ATOM 650 O PHE A 44 5.585 18.334 -4.095 1.00 25.14 O ATOM 651 CB PHE A 44 8.512 17.329 -5.362 1.00 4.30 C ATOM 652 CG PHE A 44 7.669 16.711 -6.439 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.620 15.335 -6.597 1.00 14.45 C ATOM 654 CD2 PHE A 44 6.925 17.506 -7.297 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.845 14.764 -7.588 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.148 16.940 -8.289 1.00 31.10 C ATOM 657 CZ PHE A 44 6.109 15.567 -8.436 1.00 44.43 C ATOM 0 H PHE A 44 6.237 16.029 -4.129 1.00 14.41 H new ATOM 0 HA PHE A 44 8.543 17.618 -3.232 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.809 18.330 -5.674 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.426 16.747 -5.248 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.195 14.701 -5.938 1.00 14.45 H new ATOM 0 HD2 PHE A 44 6.953 18.580 -7.189 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.815 13.690 -7.699 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.571 17.571 -8.949 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.504 15.123 -9.213 1.00 44.43 H new ATOM 667 N HIS A 45 7.296 19.789 -3.954 1.00 30.01 N ATOM 668 CA HIS A 45 6.438 20.968 -3.960 1.00 13.52 C ATOM 669 C HIS A 45 6.667 21.801 -5.218 1.00 32.25 C ATOM 670 O HIS A 45 7.635 21.587 -5.948 1.00 34.05 O ATOM 671 CB HIS A 45 6.697 21.818 -2.716 1.00 41.02 C ATOM 672 CG HIS A 45 7.944 22.643 -2.803 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.177 22.187 -2.390 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.144 23.902 -3.262 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.082 23.129 -2.589 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.481 24.180 -3.118 1.00 4.31 N ATOM 0 H HIS A 45 8.293 19.994 -3.893 1.00 30.01 H new ATOM 0 HA HIS A 45 5.401 20.633 -3.953 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.845 22.478 -2.553 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.764 21.164 -1.847 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.392 24.564 -3.666 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.134 23.053 -2.358 1.00 71.35 H new ATOM 0 HE2 HIS A 45 9.936 25.055 -3.377 1.00 4.31 H new ATOM 684 N GLY A 46 5.771 22.751 -5.464 1.00 15.53 N ATOM 685 CA GLY A 46 5.893 23.600 -6.635 1.00 51.15 C ATOM 686 C GLY A 46 4.629 24.389 -6.913 1.00 30.33 C ATOM 687 O GLY A 46 3.555 24.052 -6.414 1.00 1.11 O ATOM 0 H GLY A 46 4.963 22.948 -4.874 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.725 24.290 -6.495 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.132 22.985 -7.503 1.00 51.15 H new ATOM 691 N CYS A 47 4.756 25.444 -7.712 1.00 73.31 N ATOM 692 CA CYS A 47 3.615 26.285 -8.054 1.00 12.40 C ATOM 693 C CYS A 47 3.303 26.197 -9.545 1.00 61.22 C ATOM 694 O CYS A 47 4.159 26.468 -10.386 1.00 61.52 O ATOM 695 CB CYS A 47 3.892 27.738 -7.665 1.00 0.44 C ATOM 696 SG CYS A 47 3.499 28.131 -5.930 1.00 52.01 S ATOM 0 H CYS A 47 5.637 25.736 -8.134 1.00 73.31 H new ATOM 0 HA CYS A 47 2.750 25.925 -7.497 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.944 27.957 -7.847 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.313 28.394 -8.315 1.00 0.44 H new ATOM 701 N GLY A 48 2.070 25.816 -9.866 1.00 51.40 N ATOM 702 CA GLY A 48 1.667 25.698 -11.255 1.00 22.12 C ATOM 703 C GLY A 48 0.223 25.259 -11.404 1.00 74.05 C ATOM 704 O GLY A 48 -0.522 25.213 -10.426 1.00 74.34 O ATOM 0 H GLY A 48 1.343 25.587 -9.188 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.805 26.658 -11.753 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.315 24.981 -11.759 1.00 22.12 H new ATOM 708 N ARG A 49 -0.173 24.939 -12.632 1.00 34.44 N ATOM 709 CA ARG A 49 -1.536 24.505 -12.906 1.00 43.42 C ATOM 710 C ARG A 49 -1.574 23.020 -13.258 1.00 72.42 C ATOM 711 O ARG A 49 -1.262 22.632 -14.384 1.00 32.25 O ATOM 712 CB ARG A 49 -2.135 25.326 -14.048 1.00 63.11 C ATOM 713 CG ARG A 49 -2.154 26.822 -13.778 1.00 51.12 C ATOM 714 CD ARG A 49 -2.054 27.622 -15.068 1.00 22.53 C ATOM 715 NE ARG A 49 -0.816 27.343 -15.790 1.00 64.14 N ATOM 716 CZ ARG A 49 0.381 27.756 -15.385 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.499 28.465 -14.270 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 1.460 27.463 -16.097 1.00 63.11 N ATOM 0 H ARG A 49 0.432 24.973 -13.453 1.00 34.44 H new ATOM 0 HA ARG A 49 -2.129 24.662 -12.005 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.565 25.137 -14.958 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.154 24.986 -14.233 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.073 27.087 -13.255 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.325 27.085 -13.120 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.906 27.389 -15.706 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.109 28.686 -14.840 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.873 26.801 -16.653 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -0.330 28.694 -13.721 1.00 71.52 H new ATOM 0 HH12 ARG A 49 1.418 28.781 -13.961 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.372 26.920 -16.956 1.00 63.11 H new ATOM 0 HH22 ARG A 49 2.378 27.780 -15.786 1.00 63.11 H new ATOM 732 N ILE A 50 -1.957 22.197 -12.289 1.00 45.20 N ATOM 733 CA ILE A 50 -2.036 20.757 -12.497 1.00 24.22 C ATOM 734 C ILE A 50 -3.484 20.302 -12.653 1.00 32.02 C ATOM 735 O ILE A 50 -3.797 19.125 -12.471 1.00 4.22 O ATOM 736 CB ILE A 50 -1.389 19.983 -11.333 1.00 43.24 C ATOM 737 CG1 ILE A 50 -2.050 20.365 -10.007 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.107 20.254 -11.283 1.00 11.30 C ATOM 739 CD1 ILE A 50 -2.046 19.251 -8.985 1.00 33.13 C ATOM 0 H ILE A 50 -2.218 22.503 -11.351 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.489 20.541 -13.415 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.540 18.916 -11.498 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.535 21.231 -9.590 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.080 20.668 -10.198 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.550 19.700 -10.455 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.566 19.936 -12.219 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.279 21.321 -11.139 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.531 19.594 -8.071 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.586 18.391 -9.382 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -1.018 18.963 -8.765 1.00 33.13 H new ATOM 751 N TRP A 51 -4.359 21.241 -12.989 1.00 65.10 N ATOM 752 CA TRP A 51 -5.774 20.937 -13.170 1.00 64.31 C ATOM 753 C TRP A 51 -6.358 21.734 -14.332 1.00 21.13 C ATOM 754 O TRP A 51 -5.852 22.793 -14.705 1.00 63.40 O ATOM 755 CB TRP A 51 -6.551 21.237 -11.888 1.00 25.32 C ATOM 756 CG TRP A 51 -6.248 20.283 -10.772 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.673 20.581 -9.572 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.507 18.875 -10.757 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.555 19.443 -8.810 1.00 72.11 N ATOM 760 CE2 TRP A 51 -6.061 18.383 -9.515 1.00 35.13 C ATOM 761 CE3 TRP A 51 -7.073 17.981 -11.671 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.164 17.039 -9.166 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -7.173 16.648 -11.324 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.721 16.187 -10.080 1.00 32.35 C ATOM 0 H TRP A 51 -4.115 22.219 -13.142 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.864 19.875 -13.400 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.321 22.251 -11.562 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.619 21.205 -12.103 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.357 21.567 -9.265 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.156 19.396 -7.873 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.426 18.327 -12.631 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.817 16.682 -8.208 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.607 15.949 -12.023 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.814 15.139 -9.838 1.00 32.35 H new ATOM 775 N PRO A 52 -7.448 21.217 -14.918 1.00 33.22 N ATOM 776 CA PRO A 52 -8.124 21.866 -16.045 1.00 11.42 C ATOM 777 C PRO A 52 -8.835 23.151 -15.632 1.00 61.34 C ATOM 778 O PRO A 52 -8.866 24.124 -16.386 1.00 42.35 O ATOM 779 CB PRO A 52 -9.139 20.815 -16.502 1.00 73.34 C ATOM 780 CG PRO A 52 -9.398 19.986 -15.291 1.00 72.40 C ATOM 781 CD PRO A 52 -8.105 19.959 -14.525 1.00 33.43 C ATOM 0 HA PRO A 52 -7.423 22.167 -16.823 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -10.055 21.281 -16.866 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.743 20.211 -17.318 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -10.200 20.414 -14.689 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.710 18.979 -15.567 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.276 19.914 -13.449 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.500 19.091 -14.788 1.00 33.43 H new ATOM 789 N LYS A 53 -9.405 23.147 -14.431 1.00 42.35 N ATOM 790 CA LYS A 53 -10.114 24.312 -13.917 1.00 54.32 C ATOM 791 C LYS A 53 -9.154 25.474 -13.684 1.00 33.53 C ATOM 792 O LYS A 53 -9.495 26.631 -13.929 1.00 74.30 O ATOM 793 CB LYS A 53 -10.835 23.962 -12.613 1.00 22.44 C ATOM 794 CG LYS A 53 -12.251 23.455 -12.819 1.00 55.12 C ATOM 795 CD LYS A 53 -13.113 23.695 -11.590 1.00 65.22 C ATOM 796 CE LYS A 53 -13.462 25.167 -11.434 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.665 25.363 -10.578 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.389 22.349 -13.796 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.850 24.616 -14.661 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -10.260 23.203 -12.082 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.863 24.845 -11.975 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.696 23.954 -13.680 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -12.228 22.389 -13.046 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -14.029 23.109 -11.666 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.586 23.349 -10.701 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.615 25.697 -10.998 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.640 25.604 -12.416 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.871 26.379 -10.496 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -15.479 24.879 -11.007 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.486 24.968 -9.633 1.00 32.33 H new ATOM 811 N ASP A 54 -7.953 25.158 -13.212 1.00 52.15 N ATOM 812 CA ASP A 54 -6.943 26.176 -12.948 1.00 1.22 C ATOM 813 C ASP A 54 -6.257 26.607 -14.239 1.00 22.44 C ATOM 814 O ASP A 54 -5.795 27.743 -14.362 1.00 3.21 O ATOM 815 CB ASP A 54 -5.907 25.650 -11.955 1.00 23.13 C ATOM 816 CG ASP A 54 -6.494 25.404 -10.580 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.371 26.188 -10.160 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -6.079 24.424 -9.924 1.00 52.31 O ATOM 0 H ASP A 54 -7.655 24.205 -13.004 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.440 27.044 -12.516 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.482 24.722 -12.336 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.089 26.366 -11.875 1.00 23.13 H new ATOM 823 N LYS A 55 -6.191 25.694 -15.203 1.00 0.11 N ATOM 824 CA LYS A 55 -5.560 25.978 -16.487 1.00 71.30 C ATOM 825 C LYS A 55 -6.305 27.086 -17.224 1.00 30.04 C ATOM 826 O LYS A 55 -5.698 28.052 -17.688 1.00 33.44 O ATOM 827 CB LYS A 55 -5.519 24.713 -17.348 1.00 4.34 C ATOM 828 CG LYS A 55 -4.395 24.711 -18.370 1.00 61.13 C ATOM 829 CD LYS A 55 -4.011 23.296 -18.772 1.00 32.24 C ATOM 830 CE LYS A 55 -2.572 23.226 -19.258 1.00 73.20 C ATOM 831 NZ LYS A 55 -2.452 23.609 -20.692 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.567 24.750 -15.119 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.540 26.314 -16.298 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.410 23.844 -16.698 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.471 24.605 -17.867 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.704 25.270 -19.253 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.525 25.222 -17.957 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -4.142 22.627 -17.922 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -4.679 22.946 -19.559 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -1.952 23.887 -18.652 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -2.190 22.214 -19.119 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -1.456 23.549 -20.985 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.024 22.963 -21.273 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -2.792 24.583 -20.821 1.00 23.02 H new ATOM 845 N ARG A 56 -7.621 26.941 -17.327 1.00 42.23 N ATOM 846 CA ARG A 56 -8.447 27.930 -18.009 1.00 60.15 C ATOM 847 C ARG A 56 -8.285 29.306 -17.371 1.00 33.12 C ATOM 848 O ARG A 56 -8.527 30.329 -18.010 1.00 23.12 O ATOM 849 CB ARG A 56 -9.917 27.509 -17.974 1.00 63.23 C ATOM 850 CG ARG A 56 -10.595 27.774 -16.638 1.00 4.43 C ATOM 851 CD ARG A 56 -11.599 26.684 -16.296 1.00 71.40 C ATOM 852 NE ARG A 56 -12.914 26.951 -16.874 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.762 27.849 -16.387 1.00 41.21 C ATOM 854 NH1 ARG A 56 -13.436 28.562 -15.319 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -14.941 28.033 -16.968 1.00 63.40 N ATOM 0 H ARG A 56 -8.139 26.148 -16.947 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.118 27.989 -19.046 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.457 28.040 -18.758 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -9.987 26.446 -18.203 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.842 27.836 -15.853 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -11.101 28.739 -16.671 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -11.231 25.725 -16.660 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.689 26.601 -15.213 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.196 26.418 -17.697 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -12.532 28.422 -14.869 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -14.089 29.251 -14.947 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -15.196 27.484 -17.789 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -15.592 28.723 -16.593 1.00 63.40 H new ATOM 869 N GLU A 57 -7.876 29.322 -16.107 1.00 1.14 N ATOM 870 CA GLU A 57 -7.684 30.573 -15.382 1.00 73.50 C ATOM 871 C GLU A 57 -6.245 31.066 -15.518 1.00 75.12 C ATOM 872 O GLU A 57 -5.965 32.251 -15.347 1.00 65.11 O ATOM 873 CB GLU A 57 -8.035 30.391 -13.903 1.00 24.12 C ATOM 874 CG GLU A 57 -9.516 30.166 -13.654 1.00 62.23 C ATOM 875 CD GLU A 57 -9.883 30.277 -12.186 1.00 4.11 C ATOM 876 OE1 GLU A 57 -9.040 29.926 -11.336 1.00 34.10 O1- ATOM 877 OE2 GLU A 57 -11.015 30.713 -11.889 1.00 2.34 O ATOM 0 H GLU A 57 -7.671 28.484 -15.563 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.348 31.320 -15.816 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.475 29.544 -13.507 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -7.712 31.273 -13.350 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.092 30.895 -14.225 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -9.797 29.179 -14.022 1.00 62.23 H new ATOM 884 N LYS A 58 -5.339 30.144 -15.827 1.00 50.53 N ATOM 885 CA LYS A 58 -3.930 30.481 -15.986 1.00 42.02 C ATOM 886 C LYS A 58 -3.371 31.105 -14.711 1.00 73.23 C ATOM 887 O LYS A 58 -2.811 32.201 -14.738 1.00 73.04 O ATOM 888 CB LYS A 58 -3.745 31.445 -17.161 1.00 61.50 C ATOM 889 CG LYS A 58 -4.116 30.844 -18.505 1.00 44.31 C ATOM 890 CD LYS A 58 -2.917 30.187 -19.171 1.00 22.35 C ATOM 891 CE LYS A 58 -2.802 28.719 -18.788 1.00 42.41 C ATOM 892 NZ LYS A 58 -1.795 28.006 -19.621 1.00 3.31 N1+ ATOM 0 H LYS A 58 -5.556 29.158 -15.972 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.383 29.560 -16.188 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -4.352 32.334 -16.990 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -2.705 31.771 -17.193 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -4.907 30.107 -18.369 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -4.514 31.623 -19.156 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.007 30.276 -20.254 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -2.006 30.712 -18.883 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.526 28.639 -17.737 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -3.773 28.237 -18.901 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -1.746 27.009 -19.329 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -2.071 28.061 -20.622 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -0.863 28.450 -19.494 1.00 3.31 H new ATOM 906 N VAL A 59 -3.526 30.399 -13.596 1.00 2.35 N ATOM 907 CA VAL A 59 -3.035 30.881 -12.310 1.00 3.13 C ATOM 908 C VAL A 59 -2.211 29.813 -11.601 1.00 32.04 C ATOM 909 O VAL A 59 -2.696 28.713 -11.340 1.00 24.43 O ATOM 910 CB VAL A 59 -4.194 31.315 -11.393 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.191 30.179 -11.220 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.662 31.778 -10.046 1.00 61.33 C ATOM 0 H VAL A 59 -3.988 29.490 -13.557 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.403 31.745 -12.516 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.711 32.153 -11.861 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.003 30.503 -10.569 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.595 29.899 -12.193 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.690 29.320 -10.774 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.494 32.081 -9.411 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.120 30.962 -9.569 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.990 32.624 -10.191 1.00 61.33 H new ATOM 922 N ASP A 60 -0.963 30.147 -11.290 1.00 14.15 N ATOM 923 CA ASP A 60 -0.071 29.215 -10.609 1.00 22.51 C ATOM 924 C ASP A 60 -0.573 28.916 -9.201 1.00 13.20 C ATOM 925 O ASP A 60 -0.553 29.780 -8.325 1.00 44.21 O ATOM 926 CB ASP A 60 1.346 29.788 -10.547 1.00 60.44 C ATOM 927 CG ASP A 60 1.929 30.040 -11.922 1.00 44.41 C ATOM 928 OD1 ASP A 60 1.547 31.049 -12.553 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.768 29.230 -12.371 1.00 43.53 O1- ATOM 0 H ASP A 60 -0.547 31.055 -11.498 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.055 28.284 -11.176 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.333 30.722 -9.985 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.991 29.097 -10.003 1.00 60.44 H new ATOM 934 N ARG A 61 -1.024 27.682 -8.989 1.00 3.03 N ATOM 935 CA ARG A 61 -1.534 27.268 -7.687 1.00 14.00 C ATOM 936 C ARG A 61 -0.602 26.251 -7.036 1.00 1.23 C ATOM 937 O ARG A 61 0.075 25.485 -7.724 1.00 63.34 O ATOM 938 CB ARG A 61 -2.936 26.674 -7.830 1.00 5.22 C ATOM 939 CG ARG A 61 -3.961 27.655 -8.372 1.00 53.15 C ATOM 940 CD ARG A 61 -4.874 28.173 -7.271 1.00 54.13 C ATOM 941 NE ARG A 61 -6.238 28.388 -7.745 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.254 28.697 -6.947 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.059 28.826 -5.642 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.467 28.876 -7.453 1.00 12.20 N ATOM 0 H ARG A 61 -1.046 26.953 -9.702 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.584 28.149 -7.048 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.889 25.809 -8.491 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.270 26.314 -6.857 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.449 28.493 -8.846 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.559 27.169 -9.143 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.885 27.461 -6.445 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -4.475 29.109 -6.880 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.421 28.296 -8.744 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.128 28.688 -5.249 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -7.840 29.063 -5.031 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.621 28.776 -8.456 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.246 29.113 -6.839 1.00 12.20 H new ATOM 958 N CYS A 62 -0.572 26.247 -5.708 1.00 42.04 N ATOM 959 CA CYS A 62 0.277 25.324 -4.964 1.00 0.35 C ATOM 960 C CYS A 62 -0.221 23.889 -5.110 1.00 41.03 C ATOM 961 O CYS A 62 -1.399 23.605 -4.894 1.00 41.35 O ATOM 962 CB CYS A 62 0.316 25.715 -3.487 1.00 62.15 C ATOM 963 SG CYS A 62 1.125 24.483 -2.414 1.00 73.51 S ATOM 0 H CYS A 62 -1.126 26.873 -5.124 1.00 42.04 H new ATOM 0 HA CYS A 62 1.285 25.383 -5.375 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.838 26.667 -3.387 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.704 25.873 -3.137 1.00 62.15 H new ATOM 968 N TYR A 63 0.684 22.989 -5.477 1.00 45.52 N ATOM 969 CA TYR A 63 0.338 21.585 -5.654 1.00 14.20 C ATOM 970 C TYR A 63 1.404 20.679 -5.043 1.00 21.05 C ATOM 971 O TYR A 63 2.577 21.047 -4.969 1.00 3.33 O ATOM 972 CB TYR A 63 0.169 21.262 -7.139 1.00 45.41 C ATOM 973 CG TYR A 63 1.476 21.191 -7.897 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.183 20.000 -7.990 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.002 22.316 -8.518 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.378 19.931 -8.680 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.195 22.257 -9.212 1.00 13.22 C ATOM 978 CZ TYR A 63 3.880 21.062 -9.290 1.00 70.24 C ATOM 979 OH TYR A 63 5.069 20.997 -9.979 1.00 43.32 O ATOM 0 H TYR A 63 1.664 23.208 -5.658 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.606 21.403 -5.140 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.351 20.309 -7.238 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.466 22.020 -7.597 1.00 45.41 H new ATOM 0 HD1 TYR A 63 1.792 19.112 -7.515 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.469 23.253 -8.457 1.00 72.13 H new ATOM 0 HE1 TYR A 63 3.916 18.997 -8.742 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.589 23.141 -9.691 1.00 13.22 H new ATOM 0 HH TYR A 63 5.281 21.879 -10.349 1.00 43.32 H new ATOM 989 N ILE A 64 0.987 19.494 -4.610 1.00 55.33 N ATOM 990 CA ILE A 64 1.905 18.535 -4.008 1.00 5.43 C ATOM 991 C ILE A 64 1.623 17.121 -4.501 1.00 12.54 C ATOM 992 O ILE A 64 0.552 16.567 -4.255 1.00 4.15 O ATOM 993 CB ILE A 64 1.816 18.559 -2.471 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.163 19.950 -1.940 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.742 17.512 -1.871 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.044 20.070 -0.435 1.00 11.12 C ATOM 0 H ILE A 64 0.020 19.175 -4.665 1.00 55.33 H new ATOM 0 HA ILE A 64 2.911 18.828 -4.310 1.00 5.43 H new ATOM 0 HB ILE A 64 0.793 18.323 -2.177 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.182 20.200 -2.237 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.506 20.683 -2.408 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.668 17.541 -0.784 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.453 16.523 -2.228 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.769 17.720 -2.171 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.305 21.083 -0.129 1.00 11.12 H new ATOM 0 HD12 ILE A 64 1.020 19.852 -0.132 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.722 19.361 0.041 1.00 11.12 H new ATOM 1008 N CYS A 65 2.594 16.538 -5.199 1.00 21.21 N ATOM 1009 CA CYS A 65 2.451 15.187 -5.726 1.00 73.21 C ATOM 1010 C CYS A 65 3.519 14.263 -5.148 1.00 10.41 C ATOM 1011 O CYS A 65 4.595 14.710 -4.753 1.00 53.41 O ATOM 1012 CB CYS A 65 2.546 15.200 -7.253 1.00 24.12 C ATOM 1013 SG CYS A 65 1.266 16.208 -8.069 1.00 3.43 S ATOM 0 H CYS A 65 3.488 16.981 -5.412 1.00 21.21 H new ATOM 0 HA CYS A 65 1.471 14.811 -5.432 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.528 15.575 -7.542 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.475 14.176 -7.620 1.00 24.12 H new ATOM 1018 N ASN A 66 3.213 12.970 -5.101 1.00 44.32 N ATOM 1019 CA ASN A 66 4.145 11.982 -4.570 1.00 53.41 C ATOM 1020 C ASN A 66 5.292 11.739 -5.546 1.00 40.54 C ATOM 1021 O ASN A 66 5.224 12.128 -6.711 1.00 42.44 O ATOM 1022 CB ASN A 66 3.417 10.667 -4.283 1.00 4.34 C ATOM 1023 CG ASN A 66 2.801 10.063 -5.531 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.741 10.703 -6.579 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.341 8.821 -5.420 1.00 12.22 N ATOM 0 H ASN A 66 2.327 12.582 -5.424 1.00 44.32 H new ATOM 0 HA ASN A 66 4.559 12.371 -3.640 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.117 9.955 -3.846 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.636 10.841 -3.543 1.00 4.34 H new ATOM 0 HD21 ASN A 66 1.917 8.360 -6.225 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.412 8.328 -4.530 1.00 12.22 H new ATOM 1032 N ASN A 67 6.346 11.091 -5.060 1.00 11.55 N ATOM 1033 CA ASN A 67 7.510 10.796 -5.888 1.00 15.23 C ATOM 1034 C ASN A 67 7.115 9.961 -7.103 1.00 64.24 C ATOM 1035 O ASN A 67 7.753 10.036 -8.154 1.00 61.44 O ATOM 1036 CB ASN A 67 8.570 10.057 -5.071 1.00 20.14 C ATOM 1037 CG ASN A 67 9.580 10.999 -4.446 1.00 74.45 C ATOM 1038 OD1 ASN A 67 9.287 12.170 -4.204 1.00 73.43 O ATOM 1039 ND2 ASN A 67 10.780 10.492 -4.183 1.00 24.13 N ATOM 0 H ASN A 67 6.418 10.760 -4.098 1.00 11.55 H new ATOM 0 HA ASN A 67 7.925 11.741 -6.237 1.00 15.23 H new ATOM 0 HB2 ASN A 67 8.082 9.479 -4.286 1.00 20.14 H new ATOM 0 HB3 ASN A 67 9.090 9.346 -5.714 1.00 20.14 H new ATOM 0 HD21 ASN A 67 11.501 11.079 -3.764 1.00 24.13 H new ATOM 0 HD22 ASN A 67 10.980 9.516 -4.400 1.00 24.13 H new ATOM 1046 N GLU A 68 6.059 9.167 -6.951 1.00 2.34 N ATOM 1047 CA GLU A 68 5.580 8.318 -8.035 1.00 64.21 C ATOM 1048 C GLU A 68 4.775 9.130 -9.046 1.00 23.15 C ATOM 1049 O GLU A 68 4.434 8.640 -10.123 1.00 62.10 O ATOM 1050 CB GLU A 68 4.724 7.179 -7.480 1.00 13.03 C ATOM 1051 CG GLU A 68 5.353 6.466 -6.296 1.00 32.42 C ATOM 1052 CD GLU A 68 4.912 5.018 -6.184 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.699 4.756 -6.316 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.782 4.149 -5.965 1.00 63.23 O1- ATOM 0 H GLU A 68 5.520 9.094 -6.088 1.00 2.34 H new ATOM 0 HA GLU A 68 6.447 7.896 -8.543 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.755 7.577 -7.180 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.540 6.455 -8.273 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.438 6.505 -6.388 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.092 6.993 -5.379 1.00 32.42 H new ATOM 1061 N LYS A 69 4.473 10.375 -8.691 1.00 71.44 N ATOM 1062 CA LYS A 69 3.708 11.256 -9.564 1.00 40.30 C ATOM 1063 C LYS A 69 2.412 10.587 -10.011 1.00 12.13 C ATOM 1064 O LYS A 69 1.913 10.845 -11.108 1.00 32.33 O ATOM 1065 CB LYS A 69 4.542 11.644 -10.787 1.00 41.01 C ATOM 1066 CG LYS A 69 5.617 12.674 -10.488 1.00 21.00 C ATOM 1067 CD LYS A 69 6.758 12.596 -11.488 1.00 71.15 C ATOM 1068 CE LYS A 69 7.941 13.445 -11.051 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.745 12.775 -9.992 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.747 10.796 -7.803 1.00 71.44 H new ATOM 0 HA LYS A 69 3.457 12.156 -9.002 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.012 10.749 -11.195 1.00 41.01 H new ATOM 0 HB3 LYS A 69 3.879 12.036 -11.559 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.181 13.673 -10.509 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.003 12.516 -9.481 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.075 11.559 -11.600 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.410 12.930 -12.465 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.576 13.653 -11.912 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.582 14.405 -10.681 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.755 12.965 -10.151 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.466 13.142 -9.060 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.576 11.749 -10.025 1.00 61.00 H new ATOM 1083 N THR A 70 1.867 9.729 -9.154 1.00 30.31 N ATOM 1084 CA THR A 70 0.628 9.024 -9.460 1.00 22.31 C ATOM 1085 C THR A 70 -0.564 9.687 -8.781 1.00 43.33 C ATOM 1086 O THR A 70 -1.673 9.693 -9.316 1.00 43.31 O ATOM 1087 CB THR A 70 0.699 7.549 -9.023 1.00 53.45 C ATOM 1088 OG1 THR A 70 0.774 7.464 -7.596 1.00 5.25 O ATOM 1089 CG2 THR A 70 1.903 6.858 -9.642 1.00 43.40 C ATOM 0 H THR A 70 2.265 9.505 -8.242 1.00 30.31 H new ATOM 0 HA THR A 70 0.497 9.069 -10.541 1.00 22.31 H new ATOM 0 HB THR A 70 -0.204 7.047 -9.369 1.00 53.45 H new ATOM 0 HG1 THR A 70 -0.131 7.416 -7.223 1.00 5.25 H new ATOM 0 HG21 THR A 70 1.931 5.818 -9.318 1.00 43.40 H new ATOM 0 HG22 THR A 70 1.827 6.898 -10.729 1.00 43.40 H new ATOM 0 HG23 THR A 70 2.815 7.362 -9.323 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.330 10.248 -7.600 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.385 10.916 -6.846 1.00 63.21 C ATOM 1099 C LEU A 71 -1.028 12.375 -6.587 1.00 74.32 C ATOM 1100 O LEU A 71 0.131 12.709 -6.341 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.626 10.195 -5.519 1.00 51.23 C ATOM 1102 CG LEU A 71 -3.008 10.385 -4.892 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.953 9.280 -5.339 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.905 10.420 -3.375 1.00 23.13 C ATOM 0 H LEU A 71 0.582 10.254 -7.143 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.298 10.884 -7.440 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.463 9.128 -5.673 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.875 10.532 -4.804 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.412 11.339 -5.231 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.931 9.431 -4.883 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -4.051 9.302 -6.424 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.555 8.314 -5.030 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.898 10.556 -2.946 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.480 9.482 -3.017 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.263 11.247 -3.073 1.00 23.13 H new ATOM 1116 N CYS A 72 -2.033 13.244 -6.644 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.829 14.668 -6.414 1.00 32.24 C ATOM 1118 C CYS A 72 -3.020 15.279 -5.682 1.00 44.23 C ATOM 1119 O CYS A 72 -4.075 14.656 -5.562 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.606 15.393 -7.743 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.131 14.836 -8.656 1.00 43.01 S ATOM 0 H CYS A 72 -2.998 12.985 -6.848 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.943 14.786 -5.789 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.484 15.253 -8.373 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.519 16.462 -7.551 1.00 15.44 H new ATOM 1126 N THR A 73 -2.844 16.504 -5.196 1.00 61.13 N ATOM 1127 CA THR A 73 -3.905 17.199 -4.476 1.00 22.22 C ATOM 1128 C THR A 73 -5.041 17.590 -5.413 1.00 44.15 C ATOM 1129 O THR A 73 -4.807 18.060 -6.527 1.00 61.12 O ATOM 1130 CB THR A 73 -3.371 18.463 -3.777 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.239 18.977 -4.488 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.979 18.163 -2.338 1.00 55.11 C ATOM 0 H THR A 73 -1.978 17.035 -5.288 1.00 61.13 H new ATOM 0 HA THR A 73 -4.283 16.508 -3.723 1.00 22.22 H new ATOM 0 HB THR A 73 -4.165 19.209 -3.772 1.00 35.12 H new ATOM 0 HG1 THR A 73 -1.907 19.782 -4.037 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.605 19.071 -1.866 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.850 17.802 -1.791 1.00 55.11 H new ATOM 0 HG23 THR A 73 -2.201 17.400 -2.324 1.00 55.11 H new ATOM 1140 N SER A 74 -6.273 17.396 -4.954 1.00 30.10 N ATOM 1141 CA SER A 74 -7.447 17.727 -5.754 1.00 62.43 C ATOM 1142 C SER A 74 -7.407 19.185 -6.201 1.00 35.40 C ATOM 1143 O SER A 74 -6.510 19.938 -5.821 1.00 60.23 O ATOM 1144 CB SER A 74 -8.724 17.460 -4.956 1.00 23.42 C ATOM 1145 OG SER A 74 -9.767 17.003 -5.800 1.00 21.12 O ATOM 0 H SER A 74 -6.484 17.012 -4.033 1.00 30.10 H new ATOM 0 HA SER A 74 -7.442 17.094 -6.641 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.525 16.717 -4.184 1.00 23.42 H new ATOM 0 HB3 SER A 74 -9.036 18.372 -4.448 1.00 23.42 H new ATOM 0 HG SER A 74 -10.572 16.838 -5.266 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.386 19.575 -7.010 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.465 20.943 -7.509 1.00 11.13 C ATOM 1153 C VAL A 75 -9.284 21.823 -6.572 1.00 25.41 C ATOM 1154 O VAL A 75 -9.091 23.038 -6.517 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.088 20.992 -8.918 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.541 20.543 -8.874 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -8.972 22.390 -9.503 1.00 0.01 C ATOM 0 H VAL A 75 -9.135 18.964 -7.334 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.444 21.321 -7.558 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.539 20.306 -9.564 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -10.965 20.584 -9.877 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.595 19.521 -8.499 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.106 21.202 -8.214 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.417 22.406 -10.498 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -9.495 23.098 -8.860 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -7.921 22.670 -9.571 1.00 0.01 H new ATOM 1167 N MET A 76 -10.200 21.203 -5.836 1.00 43.31 N ATOM 1168 CA MET A 76 -11.048 21.931 -4.899 1.00 43.13 C ATOM 1169 C MET A 76 -10.740 21.527 -3.461 1.00 51.03 C ATOM 1170 O MET A 76 -10.639 22.376 -2.575 1.00 70.34 O ATOM 1171 CB MET A 76 -12.523 21.672 -5.208 1.00 71.42 C ATOM 1172 CG MET A 76 -13.010 22.362 -6.472 1.00 32.35 C ATOM 1173 SD MET A 76 -14.805 22.325 -6.638 1.00 71.52 S ATOM 1174 CE MET A 76 -15.122 20.569 -6.497 1.00 75.53 C ATOM 0 H MET A 76 -10.374 20.199 -5.870 1.00 43.31 H new ATOM 0 HA MET A 76 -10.841 22.995 -5.011 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.682 20.598 -5.306 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.127 22.008 -4.365 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.671 23.398 -6.469 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.559 21.881 -7.340 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.146 20.358 -6.807 1.00 75.53 H new ATOM 0 HE2 MET A 76 -14.429 20.022 -7.136 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.984 20.256 -5.462 1.00 75.53 H new