USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 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 7 GLN : amide:sc= -0.812 K(o=-0.35,f=-5.2) USER MOD Set 1.2: A 66 ASN : amide:sc= 0.0251 K(o=-0.35,f=-14!) USER MOD Set 1.3: A 70 THR OG1 : rot -140:sc= 0.439 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.327 USER MOD Set 2.2: A 33 GLN : amide:sc= -2.87! C(o=-3.2!,f=-3.4!) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.596 USER MOD Set 3.2: A 12 TYR OH : rot 81:sc= 0.663 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.014) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.92 K(o=-1.9,f=-12!) 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 127:sc= 0.527 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 41 THR OG1 : rot -31:sc= 0.196 USER MOD Single : A 45 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.63) 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+ -129:sc= -0.879 (180deg=-2.44) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.51) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0159) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 76 MET CE :methyl 134:sc= -0.151 (180deg=-0.815) USER MOD ----------------------------------------------------------------- ATOM 24 N PRO A 3 -0.323 4.427 -3.639 1.00 22.24 N ATOM 25 CA PRO A 3 -0.374 5.846 -3.274 1.00 51.53 C ATOM 26 C PRO A 3 -1.733 6.251 -2.715 1.00 21.02 C ATOM 27 O PRO A 3 -2.763 5.699 -3.100 1.00 25.42 O ATOM 28 CB PRO A 3 -0.104 6.563 -4.598 1.00 52.33 C ATOM 29 CG PRO A 3 -0.541 5.600 -5.648 1.00 61.01 C ATOM 30 CD PRO A 3 -0.254 4.231 -5.099 1.00 71.24 C ATOM 0 HA PRO A 3 0.341 6.091 -2.488 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -0.661 7.498 -4.662 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.952 6.813 -4.705 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -1.602 5.718 -5.868 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.002 5.768 -6.580 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -0.986 3.499 -5.441 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.727 3.871 -5.410 1.00 71.24 H new ATOM 38 N SER A 4 -1.729 7.222 -1.806 1.00 53.30 N ATOM 39 CA SER A 4 -2.962 7.699 -1.192 1.00 1.23 C ATOM 40 C SER A 4 -2.879 9.194 -0.900 1.00 70.21 C ATOM 41 O SER A 4 -1.826 9.811 -1.055 1.00 72.45 O ATOM 42 CB SER A 4 -3.244 6.931 0.099 1.00 45.22 C ATOM 43 OG SER A 4 -3.527 5.568 -0.169 1.00 21.10 O ATOM 0 H SER A 4 -0.885 7.693 -1.479 1.00 53.30 H new ATOM 0 HA SER A 4 -3.779 7.528 -1.893 1.00 1.23 H new ATOM 0 HB2 SER A 4 -2.383 7.003 0.764 1.00 45.22 H new ATOM 0 HB3 SER A 4 -4.087 7.385 0.619 1.00 45.22 H new ATOM 0 HG SER A 4 -3.702 5.099 0.673 1.00 21.10 H new ATOM 49 N ALA A 5 -4.000 9.770 -0.474 1.00 44.51 N ATOM 50 CA ALA A 5 -4.055 11.192 -0.159 1.00 71.53 C ATOM 51 C ALA A 5 -2.984 11.570 0.860 1.00 64.50 C ATOM 52 O ALA A 5 -2.532 12.714 0.903 1.00 75.23 O ATOM 53 CB ALA A 5 -5.436 11.564 0.363 1.00 50.33 C ATOM 0 H ALA A 5 -4.881 9.273 -0.340 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.862 11.750 -1.075 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.463 12.629 0.594 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -6.185 11.339 -0.396 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.650 10.991 1.265 1.00 50.33 H new ATOM 59 N ASP A 6 -2.583 10.601 1.676 1.00 73.12 N ATOM 60 CA ASP A 6 -1.564 10.833 2.693 1.00 73.34 C ATOM 61 C ASP A 6 -0.212 11.132 2.051 1.00 50.31 C ATOM 62 O ASP A 6 0.622 11.824 2.633 1.00 61.44 O ATOM 63 CB ASP A 6 -1.448 9.618 3.614 1.00 32.21 C ATOM 64 CG ASP A 6 -0.520 9.867 4.787 1.00 10.24 C ATOM 65 OD1 ASP A 6 -0.967 10.485 5.777 1.00 72.44 O ATOM 66 OD2 ASP A 6 0.652 9.444 4.717 1.00 60.32 O1- ATOM 0 H ASP A 6 -2.948 9.649 1.653 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.865 11.699 3.282 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.437 9.353 3.987 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -1.084 8.765 3.041 1.00 32.21 H new ATOM 71 N GLN A 7 -0.005 10.605 0.849 1.00 61.34 N ATOM 72 CA GLN A 7 1.247 10.813 0.129 1.00 33.32 C ATOM 73 C GLN A 7 1.339 12.240 -0.400 1.00 30.12 C ATOM 74 O GLN A 7 2.429 12.796 -0.530 1.00 65.14 O ATOM 75 CB GLN A 7 1.367 9.820 -1.027 1.00 3.44 C ATOM 76 CG GLN A 7 1.738 8.413 -0.584 1.00 3.33 C ATOM 77 CD GLN A 7 2.467 7.636 -1.663 1.00 3.22 C ATOM 78 OE1 GLN A 7 2.077 7.655 -2.830 1.00 64.11 O ATOM 79 NE2 GLN A 7 3.535 6.949 -1.276 1.00 43.14 N ATOM 0 H GLN A 7 -0.687 10.031 0.353 1.00 61.34 H new ATOM 0 HA GLN A 7 2.069 10.649 0.826 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.420 9.785 -1.565 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.119 10.181 -1.729 1.00 3.44 H new ATOM 0 HG2 GLN A 7 2.366 8.470 0.305 1.00 3.33 H new ATOM 0 HG3 GLN A 7 0.833 7.874 -0.302 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.823 6.962 -0.297 1.00 43.14 H new ATOM 0 HE22 GLN A 7 4.068 6.408 -1.957 1.00 43.14 H new ATOM 88 N VAL A 8 0.186 12.830 -0.703 1.00 11.23 N ATOM 89 CA VAL A 8 0.136 14.194 -1.217 1.00 70.32 C ATOM 90 C VAL A 8 -0.103 15.195 -0.093 1.00 51.41 C ATOM 91 O VAL A 8 -0.610 16.294 -0.325 1.00 2.43 O ATOM 92 CB VAL A 8 -0.969 14.353 -2.277 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.661 13.505 -3.501 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.325 13.988 -1.692 1.00 21.21 C ATOM 0 H VAL A 8 -0.726 12.384 -0.601 1.00 11.23 H new ATOM 0 HA VAL A 8 1.103 14.395 -1.679 1.00 70.32 H new ATOM 0 HB VAL A 8 -1.003 15.397 -2.588 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.453 13.630 -4.239 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.290 13.820 -3.932 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.598 12.456 -3.211 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -3.094 14.106 -2.455 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.308 12.953 -1.352 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.546 14.643 -0.849 1.00 21.21 H new ATOM 104 N ARG A 9 0.264 14.811 1.125 1.00 23.24 N ATOM 105 CA ARG A 9 0.089 15.676 2.285 1.00 13.23 C ATOM 106 C ARG A 9 1.131 16.790 2.296 1.00 52.15 C ATOM 107 O ARG A 9 1.972 16.875 1.401 1.00 24.40 O ATOM 108 CB ARG A 9 0.185 14.861 3.575 1.00 64.10 C ATOM 109 CG ARG A 9 -1.124 14.202 3.979 1.00 33.12 C ATOM 110 CD ARG A 9 -2.154 15.231 4.418 1.00 30.54 C ATOM 111 NE ARG A 9 -3.417 14.612 4.807 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.480 15.300 5.208 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.433 16.623 5.270 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.595 14.664 5.546 1.00 52.12 N ATOM 0 H ARG A 9 0.685 13.906 1.334 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.901 16.129 2.222 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.947 14.091 3.452 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.518 15.513 4.383 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.517 13.627 3.140 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.943 13.498 4.791 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.758 15.804 5.256 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -2.331 15.935 3.605 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.487 13.595 4.769 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.579 17.116 5.009 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.251 17.148 5.578 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.636 13.646 5.498 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.411 15.193 5.854 1.00 52.12 H new ATOM 128 N TYR A 10 1.069 17.642 3.313 1.00 14.33 N ATOM 129 CA TYR A 10 2.005 18.752 3.439 1.00 71.55 C ATOM 130 C TYR A 10 2.405 18.964 4.896 1.00 52.43 C ATOM 131 O TYR A 10 1.707 18.532 5.813 1.00 74.35 O ATOM 132 CB TYR A 10 1.389 20.033 2.875 1.00 34.44 C ATOM 133 CG TYR A 10 0.261 20.584 3.718 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.516 21.411 4.804 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.063 20.277 3.427 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.511 21.915 5.576 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.098 20.778 4.193 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.816 21.597 5.266 1.00 2.14 C ATOM 139 OH TYR A 10 -2.843 22.097 6.032 1.00 11.10 O ATOM 0 H TYR A 10 0.380 17.585 4.063 1.00 14.33 H new ATOM 0 HA TYR A 10 2.900 18.506 2.868 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.167 20.791 2.784 1.00 34.44 H new ATOM 0 HB3 TYR A 10 1.017 19.835 1.870 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.537 21.664 5.049 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.287 19.636 2.587 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.293 22.555 6.418 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.121 20.530 3.953 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.700 21.778 5.679 1.00 11.10 H new ATOM 149 N ASN A 11 3.534 19.636 5.101 1.00 42.23 N ATOM 150 CA ASN A 11 4.028 19.908 6.446 1.00 42.31 C ATOM 151 C ASN A 11 4.200 21.407 6.669 1.00 20.03 C ATOM 152 O ASN A 11 4.629 22.134 5.772 1.00 44.41 O ATOM 153 CB ASN A 11 5.359 19.190 6.677 1.00 13.35 C ATOM 154 CG ASN A 11 6.059 19.663 7.937 1.00 32.15 C ATOM 155 OD1 ASN A 11 5.560 19.476 9.046 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.225 20.279 7.769 1.00 62.24 N ATOM 0 H ASN A 11 4.123 20.002 4.353 1.00 42.23 H new ATOM 0 HA ASN A 11 3.293 19.535 7.159 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.183 18.116 6.743 1.00 13.35 H new ATOM 0 HB3 ASN A 11 6.011 19.354 5.819 1.00 13.35 H new ATOM 0 HD21 ASN A 11 7.744 20.618 8.579 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.601 20.412 6.830 1.00 62.24 H new ATOM 163 N TYR A 12 3.866 21.863 7.871 1.00 45.02 N ATOM 164 CA TYR A 12 3.981 23.276 8.212 1.00 72.31 C ATOM 165 C TYR A 12 5.439 23.665 8.438 1.00 31.24 C ATOM 166 O TYR A 12 6.116 23.109 9.303 1.00 51.10 O ATOM 167 CB TYR A 12 3.158 23.589 9.464 1.00 11.32 C ATOM 168 CG TYR A 12 1.665 23.552 9.232 1.00 4.11 C ATOM 169 CD1 TYR A 12 1.048 24.482 8.404 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.871 22.588 9.841 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.316 24.453 8.191 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.495 22.551 9.631 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.083 23.486 8.805 1.00 53.13 C ATOM 174 OH TYR A 12 -2.442 23.452 8.595 1.00 31.24 O ATOM 0 H TYR A 12 3.513 21.275 8.626 1.00 45.02 H new ATOM 0 HA TYR A 12 3.594 23.858 7.376 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.414 22.873 10.245 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.435 24.576 9.833 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.645 25.240 7.919 1.00 5.04 H new ATOM 0 HD2 TYR A 12 1.329 21.855 10.489 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -0.780 25.185 7.546 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.098 21.794 10.111 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.630 23.006 7.743 1.00 31.24 H new ATOM 184 N THR A 13 5.917 24.624 7.652 1.00 52.44 N ATOM 185 CA THR A 13 7.294 25.088 7.763 1.00 21.44 C ATOM 186 C THR A 13 7.360 26.611 7.796 1.00 1.51 C ATOM 187 O THR A 13 6.371 27.289 7.521 1.00 61.40 O ATOM 188 CB THR A 13 8.157 24.572 6.596 1.00 0.51 C ATOM 189 OG1 THR A 13 7.767 25.216 5.377 1.00 12.51 O ATOM 190 CG2 THR A 13 8.019 23.065 6.446 1.00 33.31 C ATOM 0 H THR A 13 5.370 25.095 6.931 1.00 52.44 H new ATOM 0 HA THR A 13 7.687 24.690 8.698 1.00 21.44 H new ATOM 0 HB THR A 13 9.199 24.805 6.813 1.00 0.51 H new ATOM 0 HG1 THR A 13 8.321 24.884 4.640 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.637 22.724 5.616 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.344 22.577 7.365 1.00 33.31 H new ATOM 0 HG23 THR A 13 6.977 22.813 6.250 1.00 33.31 H new ATOM 198 N GLU A 14 8.532 27.140 8.132 1.00 33.12 N ATOM 199 CA GLU A 14 8.726 28.584 8.200 1.00 45.32 C ATOM 200 C GLU A 14 9.322 29.115 6.899 1.00 72.14 C ATOM 201 O GLU A 14 10.148 28.456 6.267 1.00 2.41 O ATOM 202 CB GLU A 14 9.638 28.944 9.375 1.00 43.44 C ATOM 203 CG GLU A 14 8.981 29.854 10.400 1.00 35.42 C ATOM 204 CD GLU A 14 9.957 30.358 11.444 1.00 64.44 C ATOM 205 OE1 GLU A 14 11.071 30.773 11.063 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.606 30.337 12.642 1.00 31.43 O1- ATOM 0 H GLU A 14 9.361 26.591 8.361 1.00 33.12 H new ATOM 0 HA GLU A 14 7.751 29.049 8.350 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.959 28.027 9.869 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.535 29.431 8.992 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.530 30.705 9.889 1.00 35.42 H new ATOM 0 HG3 GLU A 14 8.173 29.314 10.894 1.00 35.42 H new ATOM 213 N LEU A 15 8.895 30.309 6.504 1.00 31.01 N ATOM 214 CA LEU A 15 9.384 30.929 5.278 1.00 75.52 C ATOM 215 C LEU A 15 10.277 32.126 5.591 1.00 52.53 C ATOM 216 O LEU A 15 10.219 32.707 6.675 1.00 52.44 O ATOM 217 CB LEU A 15 8.209 31.371 4.402 1.00 45.14 C ATOM 218 CG LEU A 15 7.579 30.287 3.528 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.204 30.722 3.047 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.481 29.962 2.346 1.00 34.00 C ATOM 0 H LEU A 15 8.211 30.867 7.015 1.00 31.01 H new ATOM 0 HA LEU A 15 9.975 30.189 4.738 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.435 31.784 5.049 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.548 32.180 3.755 1.00 45.14 H new ATOM 0 HG LEU A 15 7.463 29.385 4.129 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.771 29.938 2.426 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.558 30.903 3.906 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.296 31.638 2.463 1.00 24.13 H new ATOM 0 HD21 LEU A 15 8.016 29.188 1.735 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.630 30.859 1.744 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.445 29.606 2.711 1.00 34.00 H new ATOM 232 N PRO A 16 11.123 32.503 4.622 1.00 52.33 N ATOM 233 CA PRO A 16 12.042 33.636 4.769 1.00 73.22 C ATOM 234 C PRO A 16 11.313 34.975 4.792 1.00 42.24 C ATOM 235 O PRO A 16 11.897 36.003 5.132 1.00 30.55 O ATOM 236 CB PRO A 16 12.934 33.533 3.530 1.00 54.14 C ATOM 237 CG PRO A 16 12.103 32.813 2.525 1.00 53.42 C ATOM 238 CD PRO A 16 11.246 31.856 3.305 1.00 70.53 C ATOM 0 HA PRO A 16 12.591 33.596 5.710 1.00 73.22 H new ATOM 0 HB2 PRO A 16 13.226 34.519 3.169 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.853 32.988 3.748 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.489 33.510 1.955 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.730 32.281 1.809 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.273 31.713 2.835 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.710 30.873 3.382 1.00 70.53 H new ATOM 246 N ASN A 17 10.036 34.955 4.428 1.00 3.13 N ATOM 247 CA ASN A 17 9.228 36.169 4.407 1.00 21.43 C ATOM 248 C ASN A 17 8.549 36.395 5.755 1.00 30.55 C ATOM 249 O ASN A 17 7.893 37.413 5.969 1.00 12.42 O ATOM 250 CB ASN A 17 8.175 36.086 3.300 1.00 30.03 C ATOM 251 CG ASN A 17 6.975 35.250 3.705 1.00 50.24 C ATOM 252 OD1 ASN A 17 6.132 35.692 4.486 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.894 34.035 3.177 1.00 24.23 N ATOM 0 H ASN A 17 9.538 34.112 4.143 1.00 3.13 H new ATOM 0 HA ASN A 17 9.889 37.012 4.208 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.843 37.092 3.042 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.626 35.659 2.404 1.00 30.03 H new ATOM 0 HD21 ASN A 17 6.110 33.427 3.414 1.00 24.23 H new ATOM 0 HD22 ASN A 17 7.616 33.709 2.534 1.00 24.23 H new ATOM 260 N GLY A 18 8.714 35.436 6.662 1.00 75.24 N ATOM 261 CA GLY A 18 8.112 35.550 7.978 1.00 63.13 C ATOM 262 C GLY A 18 6.904 34.649 8.142 1.00 23.55 C ATOM 263 O GLY A 18 6.559 34.263 9.258 1.00 61.41 O ATOM 0 H GLY A 18 9.253 34.584 6.509 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.854 35.300 8.737 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.816 36.585 8.151 1.00 63.13 H new ATOM 267 N GLU A 19 6.261 34.313 7.028 1.00 64.42 N ATOM 268 CA GLU A 19 5.085 33.454 7.057 1.00 70.10 C ATOM 269 C GLU A 19 5.484 31.986 7.188 1.00 45.33 C ATOM 270 O GLU A 19 6.663 31.665 7.337 1.00 50.13 O ATOM 271 CB GLU A 19 4.248 33.654 5.790 1.00 2.11 C ATOM 272 CG GLU A 19 3.589 35.021 5.706 1.00 53.05 C ATOM 273 CD GLU A 19 2.448 35.179 6.690 1.00 73.31 C ATOM 274 OE1 GLU A 19 1.773 34.170 6.985 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 2.228 36.312 7.167 1.00 64.10 O ATOM 0 H GLU A 19 6.535 34.623 6.096 1.00 64.42 H new ATOM 0 HA GLU A 19 4.488 33.729 7.927 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.886 33.513 4.917 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.477 32.885 5.749 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.336 35.792 5.894 1.00 53.05 H new ATOM 0 HG3 GLU A 19 3.216 35.179 4.694 1.00 53.05 H new ATOM 282 N TYR A 20 4.495 31.103 7.131 1.00 61.53 N ATOM 283 CA TYR A 20 4.742 29.670 7.245 1.00 34.14 C ATOM 284 C TYR A 20 4.724 29.001 5.875 1.00 55.31 C ATOM 285 O TYR A 20 5.757 28.555 5.374 1.00 31.44 O ATOM 286 CB TYR A 20 3.697 29.022 8.155 1.00 60.13 C ATOM 287 CG TYR A 20 4.153 28.868 9.589 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.957 29.886 10.514 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.782 27.707 10.017 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.372 29.749 11.825 1.00 4.43 C ATOM 291 CE2 TYR A 20 5.201 27.560 11.326 1.00 61.50 C ATOM 292 CZ TYR A 20 4.993 28.585 12.226 1.00 52.13 C ATOM 293 OH TYR A 20 5.409 28.444 13.530 1.00 70.22 O ATOM 0 H TYR A 20 3.514 31.353 7.007 1.00 61.53 H new ATOM 0 HA TYR A 20 5.731 29.533 7.682 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.788 29.622 8.134 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.440 28.040 7.757 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.472 30.800 10.203 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.947 26.904 9.314 1.00 15.40 H new ATOM 0 HE1 TYR A 20 4.211 30.549 12.532 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.688 26.649 11.642 1.00 61.50 H new ATOM 0 HH TYR A 20 5.826 27.565 13.647 1.00 70.22 H new ATOM 303 N CYS A 21 3.541 28.938 5.271 1.00 45.41 N ATOM 304 CA CYS A 21 3.386 28.325 3.957 1.00 22.34 C ATOM 305 C CYS A 21 1.956 28.481 3.451 1.00 21.40 C ATOM 306 O CYS A 21 1.007 28.497 4.235 1.00 34.13 O ATOM 307 CB CYS A 21 3.760 26.842 4.016 1.00 14.31 C ATOM 308 SG CYS A 21 2.505 25.790 4.814 1.00 72.04 S ATOM 0 H CYS A 21 2.677 29.304 5.671 1.00 45.41 H new ATOM 0 HA CYS A 21 4.056 28.834 3.264 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.930 26.481 3.002 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.702 26.737 4.554 1.00 14.31 H new ATOM 313 N TYR A 22 1.808 28.593 2.136 1.00 73.41 N ATOM 314 CA TYR A 22 0.494 28.751 1.523 1.00 25.14 C ATOM 315 C TYR A 22 -0.173 27.395 1.313 1.00 21.32 C ATOM 316 O TYR A 22 0.375 26.515 0.650 1.00 14.24 O ATOM 317 CB TYR A 22 0.615 29.485 0.188 1.00 71.24 C ATOM 318 CG TYR A 22 0.737 30.986 0.332 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.126 31.697 1.156 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.716 31.692 -0.358 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.019 33.068 1.290 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.832 33.063 -0.229 1.00 75.54 C ATOM 323 CZ TYR A 22 0.961 33.746 0.596 1.00 12.31 C ATOM 324 OH TYR A 22 1.073 35.112 0.727 1.00 10.53 O ATOM 0 H TYR A 22 2.583 28.577 1.473 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.126 29.341 2.198 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.486 29.108 -0.347 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.258 29.257 -0.423 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.894 31.169 1.702 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.397 31.160 -1.006 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.699 33.605 1.934 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.599 33.597 -0.770 1.00 75.54 H new ATOM 0 HH TYR A 22 1.814 35.434 0.173 1.00 10.53 H new ATOM 334 N THR A 23 -1.364 27.234 1.881 1.00 31.22 N ATOM 335 CA THR A 23 -2.109 25.987 1.757 1.00 12.23 C ATOM 336 C THR A 23 -2.194 25.540 0.303 1.00 3.11 C ATOM 337 O THR A 23 -1.989 26.324 -0.625 1.00 50.51 O ATOM 338 CB THR A 23 -3.534 26.125 2.325 1.00 70.34 C ATOM 339 OG1 THR A 23 -3.956 27.491 2.263 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.594 25.635 3.764 1.00 42.22 C ATOM 0 H THR A 23 -1.834 27.952 2.432 1.00 31.22 H new ATOM 0 HA THR A 23 -1.568 25.237 2.333 1.00 12.23 H new ATOM 0 HB THR A 23 -4.202 25.511 1.721 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.819 27.546 1.802 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.610 25.743 4.143 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.301 24.586 3.804 1.00 42.22 H new ATOM 0 HG23 THR A 23 -2.914 26.225 4.378 1.00 42.22 H new ATOM 348 N PRO A 24 -2.505 24.251 0.095 1.00 10.51 N ATOM 349 CA PRO A 24 -2.626 23.672 -1.246 1.00 1.33 C ATOM 350 C PRO A 24 -3.850 24.190 -1.992 1.00 0.42 C ATOM 351 O PRO A 24 -4.844 24.582 -1.378 1.00 21.20 O ATOM 352 CB PRO A 24 -2.759 22.172 -0.973 1.00 42.41 C ATOM 353 CG PRO A 24 -3.321 22.085 0.403 1.00 13.41 C ATOM 354 CD PRO A 24 -2.762 23.262 1.155 1.00 22.44 C ATOM 0 HA PRO A 24 -1.778 23.930 -1.880 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.416 21.694 -1.700 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.793 21.671 -1.038 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.410 22.117 0.382 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -3.039 21.147 0.881 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.469 23.639 1.894 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.850 23.000 1.691 1.00 22.44 H new ATOM 362 N ARG A 25 -3.775 24.186 -3.318 1.00 41.50 N ATOM 363 CA ARG A 25 -4.878 24.656 -4.148 1.00 11.30 C ATOM 364 C ARG A 25 -5.119 26.148 -3.938 1.00 42.24 C ATOM 365 O ARG A 25 -6.209 26.653 -4.205 1.00 30.50 O ATOM 366 CB ARG A 25 -6.153 23.873 -3.829 1.00 71.35 C ATOM 367 CG ARG A 25 -5.938 22.370 -3.742 1.00 24.20 C ATOM 368 CD ARG A 25 -7.233 21.642 -3.416 1.00 13.12 C ATOM 369 NE ARG A 25 -7.722 21.966 -2.079 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.574 21.202 -1.403 1.00 63.21 C ATOM 371 NH1 ARG A 25 -9.027 20.077 -1.936 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.974 21.564 -0.191 1.00 31.52 N ATOM 0 H ARG A 25 -2.962 23.862 -3.842 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.610 24.492 -5.192 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.561 24.229 -2.883 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.899 24.081 -4.596 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.540 22.002 -4.688 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.193 22.151 -2.977 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.992 21.905 -4.153 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -7.073 20.566 -3.493 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.392 22.825 -1.640 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.722 19.795 -2.868 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.681 19.493 -1.415 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.628 22.429 0.223 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.628 20.977 0.327 1.00 31.52 H new ATOM 386 N ARG A 26 -4.094 26.845 -3.460 1.00 23.54 N ATOM 387 CA ARG A 26 -4.196 28.279 -3.214 1.00 14.21 C ATOM 388 C ARG A 26 -3.313 29.061 -4.183 1.00 22.51 C ATOM 389 O ARG A 26 -2.229 28.611 -4.553 1.00 34.12 O ATOM 390 CB ARG A 26 -3.796 28.600 -1.772 1.00 32.13 C ATOM 391 CG ARG A 26 -4.759 29.543 -1.068 1.00 14.42 C ATOM 392 CD ARG A 26 -4.016 30.604 -0.272 1.00 12.23 C ATOM 393 NE ARG A 26 -3.917 30.255 1.143 1.00 53.14 N ATOM 394 CZ ARG A 26 -3.532 31.109 2.086 1.00 71.13 C ATOM 395 NH1 ARG A 26 -3.213 32.355 1.763 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -3.467 30.718 3.351 1.00 33.14 N ATOM 0 H ARG A 26 -3.185 26.441 -3.235 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.233 28.577 -3.372 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.732 27.671 -1.206 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.800 29.043 -1.770 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.403 30.023 -1.804 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.406 28.973 -0.401 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -3.015 30.733 -0.685 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -4.529 31.560 -0.375 1.00 12.23 H new ATOM 0 HE ARG A 26 -4.156 29.304 1.423 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -3.263 32.658 0.790 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -2.918 33.010 2.487 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -3.713 29.760 3.602 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -3.171 31.375 4.073 1.00 33.14 H new ATOM 410 N ARG A 27 -3.787 30.235 -4.591 1.00 50.31 N ATOM 411 CA ARG A 27 -3.043 31.078 -5.519 1.00 40.43 C ATOM 412 C ARG A 27 -1.719 31.524 -4.905 1.00 64.30 C ATOM 413 O ARG A 27 -1.692 32.137 -3.838 1.00 33.14 O ATOM 414 CB ARG A 27 -3.874 32.302 -5.907 1.00 5.30 C ATOM 415 CG ARG A 27 -3.122 33.300 -6.771 1.00 61.13 C ATOM 416 CD ARG A 27 -3.994 34.492 -7.133 1.00 24.42 C ATOM 417 NE ARG A 27 -4.186 35.394 -6.000 1.00 40.41 N ATOM 418 CZ ARG A 27 -3.235 36.188 -5.521 1.00 44.13 C ATOM 419 NH1 ARG A 27 -2.029 36.191 -6.075 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -3.486 36.979 -4.487 1.00 21.32 N ATOM 0 H ARG A 27 -4.682 30.623 -4.293 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.831 30.492 -6.413 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.765 31.971 -6.441 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.213 32.803 -5.000 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.234 33.645 -6.241 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.779 32.809 -7.682 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.537 35.038 -7.958 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.964 34.139 -7.483 1.00 24.42 H new ATOM 0 HE ARG A 27 -5.102 35.415 -5.552 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -1.831 35.583 -6.870 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -1.300 36.801 -5.706 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.411 36.979 -4.057 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -2.754 37.588 -4.121 1.00 21.32 H new ATOM 434 N CYS A 28 -0.622 31.210 -5.586 1.00 43.33 N ATOM 435 CA CYS A 28 0.706 31.578 -5.110 1.00 31.31 C ATOM 436 C CYS A 28 1.502 32.280 -6.204 1.00 63.13 C ATOM 437 O CYS A 28 1.091 32.312 -7.366 1.00 50.44 O ATOM 438 CB CYS A 28 1.461 30.335 -4.633 1.00 52.41 C ATOM 439 SG CYS A 28 1.355 28.918 -5.773 1.00 5.44 S ATOM 0 H CYS A 28 -0.627 30.701 -6.470 1.00 43.33 H new ATOM 0 HA CYS A 28 0.587 32.267 -4.274 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.510 30.593 -4.488 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.069 30.036 -3.661 1.00 52.41 H new ATOM 444 N THR A 29 2.646 32.844 -5.830 1.00 73.01 N ATOM 445 CA THR A 29 3.499 33.547 -6.778 1.00 32.12 C ATOM 446 C THR A 29 4.852 32.857 -6.915 1.00 33.55 C ATOM 447 O THR A 29 5.502 32.948 -7.958 1.00 51.13 O ATOM 448 CB THR A 29 3.725 35.011 -6.353 1.00 20.25 C ATOM 449 OG1 THR A 29 4.758 35.600 -7.152 1.00 30.25 O ATOM 450 CG2 THR A 29 4.101 35.097 -4.884 1.00 44.55 C ATOM 0 H THR A 29 3.003 32.827 -4.875 1.00 73.01 H new ATOM 0 HA THR A 29 2.985 33.530 -7.739 1.00 32.12 H new ATOM 0 HB THR A 29 2.794 35.557 -6.504 1.00 20.25 H new ATOM 0 HG1 THR A 29 4.894 36.531 -6.876 1.00 30.25 H new ATOM 0 HG21 THR A 29 4.255 36.140 -4.608 1.00 44.55 H new ATOM 0 HG22 THR A 29 3.299 34.676 -4.278 1.00 44.55 H new ATOM 0 HG23 THR A 29 5.019 34.536 -4.710 1.00 44.55 H new ATOM 458 N SER A 30 5.272 32.168 -5.859 1.00 63.54 N ATOM 459 CA SER A 30 6.549 31.465 -5.861 1.00 12.44 C ATOM 460 C SER A 30 6.389 30.047 -5.323 1.00 32.23 C ATOM 461 O SER A 30 5.607 29.804 -4.405 1.00 42.24 O ATOM 462 CB SER A 30 7.576 32.228 -5.023 1.00 1.42 C ATOM 463 OG SER A 30 7.511 33.620 -5.280 1.00 24.25 O ATOM 0 H SER A 30 4.745 32.082 -4.990 1.00 63.54 H new ATOM 0 HA SER A 30 6.902 31.406 -6.891 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.397 32.042 -3.964 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.578 31.860 -5.246 1.00 1.42 H new ATOM 0 HG SER A 30 8.176 34.085 -4.731 1.00 24.25 H new ATOM 469 N ALA A 31 7.136 29.113 -5.904 1.00 62.45 N ATOM 470 CA ALA A 31 7.080 27.718 -5.483 1.00 32.30 C ATOM 471 C ALA A 31 7.587 27.556 -4.053 1.00 10.12 C ATOM 472 O ALA A 31 7.051 26.761 -3.282 1.00 65.45 O ATOM 473 CB ALA A 31 7.887 26.847 -6.434 1.00 44.20 C ATOM 0 H ALA A 31 7.787 29.297 -6.667 1.00 62.45 H new ATOM 0 HA ALA A 31 6.039 27.397 -5.510 1.00 32.30 H new ATOM 0 HB1 ALA A 31 7.836 25.808 -6.108 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.478 26.931 -7.441 1.00 44.20 H new ATOM 0 HB3 ALA A 31 8.926 27.176 -6.436 1.00 44.20 H new ATOM 479 N ASP A 32 8.623 28.314 -3.709 1.00 12.20 N ATOM 480 CA ASP A 32 9.202 28.253 -2.372 1.00 73.45 C ATOM 481 C ASP A 32 8.144 28.527 -1.308 1.00 71.20 C ATOM 482 O ASP A 32 8.259 28.068 -0.172 1.00 64.22 O ATOM 483 CB ASP A 32 10.346 29.259 -2.243 1.00 74.03 C ATOM 484 CG ASP A 32 11.399 28.816 -1.247 1.00 11.45 C ATOM 485 OD1 ASP A 32 12.290 28.031 -1.637 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.333 29.252 -0.078 1.00 51.42 O1- ATOM 0 H ASP A 32 9.078 28.977 -4.337 1.00 12.20 H new ATOM 0 HA ASP A 32 9.593 27.247 -2.218 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.811 29.403 -3.218 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.944 30.224 -1.936 1.00 74.03 H new ATOM 491 N GLN A 33 7.114 29.277 -1.685 1.00 13.05 N ATOM 492 CA GLN A 33 6.036 29.615 -0.762 1.00 61.53 C ATOM 493 C GLN A 33 5.101 28.427 -0.561 1.00 21.20 C ATOM 494 O GLN A 33 4.673 28.144 0.558 1.00 62.33 O ATOM 495 CB GLN A 33 5.248 30.817 -1.282 1.00 1.33 C ATOM 496 CG GLN A 33 6.018 32.126 -1.213 1.00 24.41 C ATOM 497 CD GLN A 33 5.508 33.156 -2.202 1.00 55.02 C ATOM 498 OE1 GLN A 33 4.310 33.236 -2.471 1.00 20.05 O ATOM 499 NE2 GLN A 33 6.419 33.950 -2.752 1.00 41.24 N ATOM 0 H GLN A 33 7.003 29.662 -2.623 1.00 13.05 H new ATOM 0 HA GLN A 33 6.481 29.871 0.199 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.957 30.630 -2.316 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.329 30.915 -0.705 1.00 1.33 H new ATOM 0 HG2 GLN A 33 5.948 32.531 -0.204 1.00 24.41 H new ATOM 0 HG3 GLN A 33 7.073 31.933 -1.407 1.00 24.41 H new ATOM 0 HE21 GLN A 33 7.402 33.849 -2.500 1.00 41.24 H new ATOM 0 HE22 GLN A 33 6.136 34.661 -3.426 1.00 41.24 H new ATOM 508 N CYS A 34 4.789 27.735 -1.651 1.00 20.44 N ATOM 509 CA CYS A 34 3.904 26.578 -1.595 1.00 42.12 C ATOM 510 C CYS A 34 4.369 25.588 -0.531 1.00 14.23 C ATOM 511 O CYS A 34 5.513 25.132 -0.548 1.00 24.15 O ATOM 512 CB CYS A 34 3.847 25.888 -2.960 1.00 20.31 C ATOM 513 SG CYS A 34 2.946 24.304 -2.954 1.00 43.23 S ATOM 0 H CYS A 34 5.136 27.955 -2.584 1.00 20.44 H new ATOM 0 HA CYS A 34 2.906 26.927 -1.329 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.374 26.560 -3.676 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.864 25.714 -3.310 1.00 20.31 H new ATOM 518 N CYS A 35 3.474 25.259 0.394 1.00 63.44 N ATOM 519 CA CYS A 35 3.790 24.324 1.467 1.00 62.12 C ATOM 520 C CYS A 35 4.397 23.040 0.909 1.00 75.41 C ATOM 521 O CYS A 35 3.842 22.425 -0.002 1.00 52.33 O ATOM 522 CB CYS A 35 2.533 23.997 2.274 1.00 15.41 C ATOM 523 SG CYS A 35 2.796 23.958 4.077 1.00 54.35 S ATOM 0 H CYS A 35 2.523 25.627 0.422 1.00 63.44 H new ATOM 0 HA CYS A 35 4.522 24.797 2.122 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.765 24.736 2.045 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.149 23.029 1.952 1.00 15.41 H new ATOM 528 N ARG A 36 5.539 22.642 1.459 1.00 74.42 N ATOM 529 CA ARG A 36 6.222 21.434 1.016 1.00 31.31 C ATOM 530 C ARG A 36 5.467 20.186 1.466 1.00 11.50 C ATOM 531 O ARG A 36 4.645 20.226 2.384 1.00 64.44 O ATOM 532 CB ARG A 36 7.651 21.401 1.558 1.00 74.21 C ATOM 533 CG ARG A 36 8.669 22.050 0.636 1.00 33.43 C ATOM 534 CD ARG A 36 9.901 22.510 1.398 1.00 52.41 C ATOM 535 NE ARG A 36 10.615 23.572 0.695 1.00 64.13 N ATOM 536 CZ ARG A 36 11.569 24.309 1.252 1.00 24.21 C ATOM 537 NH1 ARG A 36 11.924 24.100 2.513 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 12.174 25.257 0.546 1.00 13.25 N ATOM 0 H ARG A 36 6.011 23.140 2.214 1.00 74.42 H new ATOM 0 HA ARG A 36 6.255 21.445 -0.073 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.675 21.905 2.524 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.940 20.365 1.732 1.00 74.21 H new ATOM 0 HG2 ARG A 36 8.963 21.342 -0.138 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.213 22.902 0.132 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.605 22.864 2.385 1.00 52.41 H new ATOM 0 HD3 ARG A 36 10.570 21.663 1.551 1.00 52.41 H new ATOM 0 HE ARG A 36 10.368 23.758 -0.277 1.00 64.13 H new ATOM 0 HH11 ARG A 36 11.464 23.371 3.058 1.00 61.22 H new ATOM 0 HH12 ARG A 36 12.657 24.668 2.937 1.00 61.22 H new ATOM 0 HH21 ARG A 36 11.906 25.419 -0.425 1.00 13.25 H new ATOM 0 HH22 ARG A 36 12.907 25.823 0.974 1.00 13.25 H new ATOM 552 N PRO A 37 5.748 19.052 0.809 1.00 2.54 N ATOM 553 CA PRO A 37 5.107 17.773 1.124 1.00 73.11 C ATOM 554 C PRO A 37 5.555 17.217 2.472 1.00 25.00 C ATOM 555 O PRO A 37 6.696 17.416 2.889 1.00 22.30 O ATOM 556 CB PRO A 37 5.568 16.856 -0.012 1.00 11.35 C ATOM 557 CG PRO A 37 6.854 17.447 -0.478 1.00 4.20 C ATOM 558 CD PRO A 37 6.717 18.934 -0.295 1.00 42.10 C ATOM 0 HA PRO A 37 4.024 17.868 1.201 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.706 15.833 0.337 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.833 16.822 -0.816 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.694 17.059 0.099 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.042 17.198 -1.522 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.671 19.398 -0.044 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.355 19.419 -1.201 1.00 42.10 H new ATOM 566 N TYR A 38 4.649 16.519 3.148 1.00 62.25 N ATOM 567 CA TYR A 38 4.950 15.935 4.450 1.00 14.44 C ATOM 568 C TYR A 38 6.226 15.102 4.392 1.00 34.42 C ATOM 569 O TYR A 38 6.965 15.007 5.372 1.00 11.41 O ATOM 570 CB TYR A 38 3.784 15.069 4.926 1.00 22.13 C ATOM 571 CG TYR A 38 3.722 14.909 6.428 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.623 14.089 7.096 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.764 15.578 7.180 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.571 13.938 8.468 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.705 15.434 8.553 1.00 22.03 C ATOM 576 CZ TYR A 38 3.610 14.613 9.192 1.00 53.42 C ATOM 577 OH TYR A 38 3.556 14.466 10.560 1.00 22.44 O ATOM 0 H TYR A 38 3.701 16.344 2.816 1.00 62.25 H new ATOM 0 HA TYR A 38 5.102 16.750 5.158 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.850 15.509 4.577 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.863 14.084 4.467 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.377 13.560 6.532 1.00 30.11 H new ATOM 0 HD2 TYR A 38 2.053 16.222 6.683 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.278 13.295 8.971 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.954 15.962 9.123 1.00 22.03 H new ATOM 0 HH TYR A 38 2.823 15.009 10.919 1.00 22.44 H new ATOM 587 N ASP A 39 6.480 14.502 3.234 1.00 32.30 N ATOM 588 CA ASP A 39 7.668 13.676 3.045 1.00 33.55 C ATOM 589 C ASP A 39 8.380 14.040 1.747 1.00 15.11 C ATOM 590 O ASP A 39 8.058 13.515 0.680 1.00 13.04 O ATOM 591 CB ASP A 39 7.290 12.194 3.037 1.00 24.25 C ATOM 592 CG ASP A 39 8.411 11.309 3.543 1.00 54.15 C ATOM 593 OD1 ASP A 39 9.252 11.803 4.323 1.00 23.30 O1- ATOM 594 OD2 ASP A 39 8.448 10.120 3.160 1.00 4.51 O ATOM 0 H ASP A 39 5.880 14.572 2.412 1.00 32.30 H new ATOM 0 HA ASP A 39 8.347 13.864 3.876 1.00 33.55 H new ATOM 0 HB2 ASP A 39 6.405 12.044 3.656 1.00 24.25 H new ATOM 0 HB3 ASP A 39 7.024 11.895 2.023 1.00 24.25 H new ATOM 599 N THR A 40 9.352 14.943 1.843 1.00 42.33 N ATOM 600 CA THR A 40 10.109 15.378 0.676 1.00 51.22 C ATOM 601 C THR A 40 10.780 14.198 -0.017 1.00 5.24 C ATOM 602 O THR A 40 11.049 14.240 -1.218 1.00 55.42 O ATOM 603 CB THR A 40 11.184 16.413 1.058 1.00 52.44 C ATOM 604 OG1 THR A 40 11.864 15.996 2.248 1.00 3.03 O ATOM 605 CG2 THR A 40 10.563 17.785 1.277 1.00 32.04 C ATOM 0 H THR A 40 9.633 15.387 2.717 1.00 42.33 H new ATOM 0 HA THR A 40 9.397 15.839 -0.008 1.00 51.22 H new ATOM 0 HB THR A 40 11.897 16.482 0.237 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.547 16.658 2.484 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.342 18.498 1.546 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.072 18.112 0.361 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.830 17.728 2.082 1.00 32.04 H new ATOM 613 N THR A 41 11.047 13.142 0.747 1.00 61.40 N ATOM 614 CA THR A 41 11.684 11.951 0.207 1.00 21.31 C ATOM 615 C THR A 41 10.701 11.120 -0.611 1.00 74.10 C ATOM 616 O THR A 41 11.100 10.246 -1.378 1.00 32.32 O ATOM 617 CB THR A 41 12.273 11.071 1.327 1.00 11.20 C ATOM 618 OG1 THR A 41 13.002 9.977 0.759 1.00 50.03 O ATOM 619 CG2 THR A 41 11.170 10.537 2.230 1.00 40.10 C ATOM 0 H THR A 41 10.831 13.090 1.742 1.00 61.40 H new ATOM 0 HA THR A 41 12.491 12.293 -0.440 1.00 21.31 H new ATOM 0 HB THR A 41 12.947 11.684 1.925 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.596 9.722 -0.096 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.608 9.919 3.013 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.635 11.371 2.683 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.476 9.938 1.641 1.00 40.10 H new ATOM 627 N ALA A 42 9.414 11.403 -0.442 1.00 33.42 N ATOM 628 CA ALA A 42 8.372 10.685 -1.166 1.00 33.24 C ATOM 629 C ALA A 42 7.386 11.653 -1.812 1.00 22.22 C ATOM 630 O ALA A 42 6.238 11.297 -2.077 1.00 41.33 O ATOM 631 CB ALA A 42 7.644 9.729 -0.234 1.00 72.43 C ATOM 0 H ALA A 42 9.068 12.125 0.190 1.00 33.42 H new ATOM 0 HA ALA A 42 8.847 10.108 -1.960 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.869 9.200 -0.788 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.353 9.009 0.175 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.188 10.292 0.580 1.00 72.43 H new ATOM 637 N ALA A 43 7.842 12.876 -2.062 1.00 12.24 N ATOM 638 CA ALA A 43 6.999 13.893 -2.678 1.00 72.33 C ATOM 639 C ALA A 43 7.773 15.189 -2.893 1.00 51.10 C ATOM 640 O ALA A 43 8.861 15.374 -2.346 1.00 33.12 O ATOM 641 CB ALA A 43 5.767 14.148 -1.822 1.00 43.44 C ATOM 0 H ALA A 43 8.790 13.186 -1.848 1.00 12.24 H new ATOM 0 HA ALA A 43 6.680 13.524 -3.653 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.147 14.910 -2.295 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.196 13.225 -1.723 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.075 14.492 -0.835 1.00 43.44 H new ATOM 647 N PHE A 44 7.204 16.086 -3.693 1.00 14.41 N ATOM 648 CA PHE A 44 7.842 17.366 -3.981 1.00 61.30 C ATOM 649 C PHE A 44 6.828 18.504 -3.926 1.00 33.54 C ATOM 650 O PHE A 44 5.628 18.274 -3.776 1.00 25.14 O ATOM 651 CB PHE A 44 8.510 17.328 -5.359 1.00 4.30 C ATOM 652 CG PHE A 44 7.589 16.883 -6.458 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.368 15.534 -6.691 1.00 14.45 C ATOM 654 CD2 PHE A 44 6.944 17.811 -7.259 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.522 15.122 -7.704 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.097 17.404 -8.273 1.00 31.10 C ATOM 657 CZ PHE A 44 5.885 16.057 -8.495 1.00 44.43 C ATOM 0 H PHE A 44 6.304 15.950 -4.153 1.00 14.41 H new ATOM 0 HA PHE A 44 8.602 17.544 -3.221 1.00 61.30 H new ATOM 0 HB2 PHE A 44 8.893 18.321 -5.596 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.368 16.656 -5.320 1.00 4.30 H new ATOM 0 HD1 PHE A 44 7.862 14.797 -6.075 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.105 18.865 -7.089 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.359 14.068 -7.877 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.602 18.138 -8.891 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.223 15.736 -9.285 1.00 44.43 H new ATOM 667 N HIS A 45 7.319 19.733 -4.049 1.00 30.01 N ATOM 668 CA HIS A 45 6.456 20.908 -4.013 1.00 13.52 C ATOM 669 C HIS A 45 6.592 21.721 -5.298 1.00 32.25 C ATOM 670 O HIS A 45 7.489 21.481 -6.104 1.00 34.05 O ATOM 671 CB HIS A 45 6.796 21.780 -2.805 1.00 41.02 C ATOM 672 CG HIS A 45 8.059 22.566 -2.971 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.303 22.074 -2.632 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.269 23.818 -3.444 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.222 22.988 -2.887 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.621 24.054 -3.381 1.00 4.31 N ATOM 0 H HIS A 45 8.310 19.941 -4.174 1.00 30.01 H new ATOM 0 HA HIS A 45 5.424 20.568 -3.926 1.00 13.52 H new ATOM 0 HB2 HIS A 45 5.971 22.468 -2.620 1.00 41.02 H new ATOM 0 HB3 HIS A 45 6.886 21.146 -1.923 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.515 24.502 -3.803 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.284 22.881 -2.720 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.086 24.915 -3.670 1.00 4.31 H new ATOM 684 N GLY A 46 5.695 22.685 -5.480 1.00 15.53 N ATOM 685 CA GLY A 46 5.732 23.518 -6.668 1.00 51.15 C ATOM 686 C GLY A 46 4.510 24.406 -6.791 1.00 30.33 C ATOM 687 O GLY A 46 3.423 24.046 -6.340 1.00 1.11 O ATOM 0 H GLY A 46 4.943 22.904 -4.826 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.628 24.139 -6.645 1.00 51.15 H new ATOM 0 HA3 GLY A 46 5.807 22.883 -7.551 1.00 51.15 H new ATOM 691 N CYS A 47 4.688 25.572 -7.403 1.00 73.31 N ATOM 692 CA CYS A 47 3.592 26.517 -7.583 1.00 12.40 C ATOM 693 C CYS A 47 3.245 26.670 -9.062 1.00 61.22 C ATOM 694 O CYS A 47 4.085 27.058 -9.871 1.00 61.52 O ATOM 695 CB CYS A 47 3.963 27.879 -6.992 1.00 0.44 C ATOM 696 SG CYS A 47 2.693 29.163 -7.231 1.00 52.01 S ATOM 0 H CYS A 47 5.581 25.885 -7.783 1.00 73.31 H new ATOM 0 HA CYS A 47 2.719 26.127 -7.060 1.00 12.40 H new ATOM 0 HB2 CYS A 47 4.149 27.761 -5.925 1.00 0.44 H new ATOM 0 HB3 CYS A 47 4.896 28.217 -7.443 1.00 0.44 H new ATOM 701 N GLY A 48 1.996 26.365 -9.405 1.00 51.40 N ATOM 702 CA GLY A 48 1.558 26.475 -10.784 1.00 22.12 C ATOM 703 C GLY A 48 0.238 25.772 -11.031 1.00 74.05 C ATOM 704 O GLY A 48 -0.569 25.614 -10.114 1.00 74.34 O ATOM 0 H GLY A 48 1.281 26.044 -8.752 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.460 27.528 -11.048 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.320 26.052 -11.439 1.00 22.12 H new ATOM 708 N ARG A 49 0.016 25.351 -12.271 1.00 34.44 N ATOM 709 CA ARG A 49 -1.218 24.665 -12.636 1.00 43.42 C ATOM 710 C ARG A 49 -0.928 23.248 -13.120 1.00 72.42 C ATOM 711 O ARG A 49 -0.249 23.052 -14.128 1.00 32.25 O ATOM 712 CB ARG A 49 -1.958 25.445 -13.724 1.00 63.11 C ATOM 713 CG ARG A 49 -2.265 26.884 -13.340 1.00 51.12 C ATOM 714 CD ARG A 49 -2.302 27.791 -14.559 1.00 22.53 C ATOM 715 NE ARG A 49 -1.030 27.800 -15.274 1.00 64.14 N ATOM 716 CZ ARG A 49 0.058 28.421 -14.830 1.00 64.40 C ATOM 717 NH1 ARG A 49 0.026 29.079 -13.679 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 1.179 28.383 -15.537 1.00 63.11 N ATOM 0 H ARG A 49 0.674 25.473 -13.041 1.00 34.44 H new ATOM 0 HA ARG A 49 -1.848 24.607 -11.748 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.358 25.441 -14.634 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -2.892 24.932 -13.955 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.224 26.927 -12.824 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.510 27.244 -12.640 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -3.094 27.461 -15.232 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.550 28.806 -14.248 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.973 27.303 -16.163 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -0.835 29.109 -13.133 1.00 71.52 H new ATOM 0 HH12 ARG A 49 0.862 29.555 -13.340 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.207 27.877 -16.422 1.00 63.11 H new ATOM 0 HH22 ARG A 49 2.014 28.860 -15.196 1.00 63.11 H new ATOM 732 N ILE A 50 -1.447 22.263 -12.394 1.00 45.20 N ATOM 733 CA ILE A 50 -1.246 20.863 -12.750 1.00 24.22 C ATOM 734 C ILE A 50 -2.534 20.238 -13.272 1.00 32.02 C ATOM 735 O ILE A 50 -2.501 19.285 -14.052 1.00 4.22 O ATOM 736 CB ILE A 50 -0.738 20.044 -11.549 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.633 20.281 -10.331 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.704 20.406 -11.232 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.476 19.230 -9.253 1.00 33.13 C ATOM 0 H ILE A 50 -2.010 22.408 -11.556 1.00 45.20 H new ATOM 0 HA ILE A 50 -0.492 20.842 -13.537 1.00 24.22 H new ATOM 0 HB ILE A 50 -0.777 18.985 -11.806 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.407 21.260 -9.909 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -2.674 20.306 -10.654 1.00 33.24 H new ATOM 0 HG21 ILE A 50 1.048 19.818 -10.381 1.00 11.30 H new ATOM 0 HG22 ILE A 50 1.331 20.193 -12.097 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.768 21.467 -10.990 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.140 19.461 -8.420 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -1.731 18.251 -9.659 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.444 19.220 -8.902 1.00 33.13 H new ATOM 751 N TRP A 51 -3.666 20.779 -12.839 1.00 65.10 N ATOM 752 CA TRP A 51 -4.967 20.274 -13.263 1.00 64.31 C ATOM 753 C TRP A 51 -5.496 21.067 -14.453 1.00 21.13 C ATOM 754 O TRP A 51 -5.133 22.223 -14.669 1.00 63.40 O ATOM 755 CB TRP A 51 -5.964 20.339 -12.105 1.00 25.32 C ATOM 756 CG TRP A 51 -5.634 19.401 -10.984 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.087 19.728 -9.777 1.00 65.11 C ATOM 758 CD2 TRP A 51 -5.830 17.982 -10.967 1.00 50.02 C ATOM 759 NE1 TRP A 51 -4.928 18.598 -9.010 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.378 17.515 -9.717 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.344 17.062 -11.885 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -5.425 16.168 -9.365 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.389 15.727 -11.534 1.00 32.24 C ATOM 764 CH2 TRP A 51 -5.933 15.289 -10.284 1.00 32.35 C ATOM 0 H TRP A 51 -3.710 21.568 -12.194 1.00 65.10 H new ATOM 0 HA TRP A 51 -4.845 19.235 -13.569 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -5.996 21.358 -11.719 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -6.961 20.109 -12.480 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -4.818 20.728 -9.469 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -4.538 18.571 -8.068 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -6.699 17.389 -12.851 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.073 15.829 -8.402 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -6.783 15.007 -12.236 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -5.983 14.238 -10.040 1.00 32.35 H new ATOM 775 N PRO A 52 -6.378 20.435 -15.242 1.00 33.22 N ATOM 776 CA PRO A 52 -6.977 21.065 -16.422 1.00 11.42 C ATOM 777 C PRO A 52 -7.956 22.175 -16.053 1.00 61.34 C ATOM 778 O PRO A 52 -8.147 23.125 -16.810 1.00 42.35 O ATOM 779 CB PRO A 52 -7.712 19.908 -17.106 1.00 73.34 C ATOM 780 CG PRO A 52 -8.003 18.944 -16.009 1.00 72.40 C ATOM 781 CD PRO A 52 -6.857 19.057 -15.043 1.00 33.43 C ATOM 0 HA PRO A 52 -6.229 21.545 -17.052 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -8.629 20.250 -17.586 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -7.097 19.452 -17.882 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -8.949 19.181 -15.522 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -8.089 17.928 -16.395 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -7.179 18.888 -14.016 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -6.078 18.326 -15.257 1.00 33.43 H new ATOM 789 N LYS A 53 -8.574 22.047 -14.884 1.00 42.35 N ATOM 790 CA LYS A 53 -9.533 23.039 -14.413 1.00 54.32 C ATOM 791 C LYS A 53 -8.842 24.367 -14.123 1.00 33.53 C ATOM 792 O LYS A 53 -9.284 25.422 -14.584 1.00 74.30 O ATOM 793 CB LYS A 53 -10.241 22.537 -13.153 1.00 22.44 C ATOM 794 CG LYS A 53 -11.083 21.292 -13.384 1.00 55.12 C ATOM 795 CD LYS A 53 -12.427 21.391 -12.684 1.00 65.22 C ATOM 796 CE LYS A 53 -13.327 22.423 -13.347 1.00 22.10 C ATOM 797 NZ LYS A 53 -14.221 21.807 -14.366 1.00 32.33 N1+ ATOM 0 H LYS A 53 -8.428 21.266 -14.245 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.271 23.196 -15.200 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.495 22.324 -12.387 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.879 23.330 -12.764 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -11.238 21.150 -14.453 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -10.546 20.416 -13.021 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -12.917 20.418 -12.697 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -12.275 21.658 -11.638 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -13.931 22.920 -12.587 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -12.713 23.190 -13.819 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -14.818 22.543 -14.794 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -13.645 21.355 -15.105 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -14.825 21.093 -13.912 1.00 32.33 H new ATOM 811 N ASP A 54 -7.757 24.312 -13.359 1.00 52.15 N ATOM 812 CA ASP A 54 -7.003 25.510 -13.011 1.00 1.22 C ATOM 813 C ASP A 54 -6.356 26.124 -14.249 1.00 22.44 C ATOM 814 O ASP A 54 -6.140 27.335 -14.313 1.00 3.21 O ATOM 815 CB ASP A 54 -5.933 25.181 -11.970 1.00 23.13 C ATOM 816 CG ASP A 54 -6.526 24.807 -10.627 1.00 24.34 C ATOM 817 OD1 ASP A 54 -7.319 25.606 -10.085 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -6.199 23.715 -10.118 1.00 52.31 O ATOM 0 H ASP A 54 -7.379 23.449 -12.968 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.697 26.236 -12.589 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.318 24.358 -12.334 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -5.275 26.041 -11.846 1.00 23.13 H new ATOM 823 N LYS A 55 -6.048 25.281 -15.229 1.00 0.11 N ATOM 824 CA LYS A 55 -5.426 25.740 -16.465 1.00 71.30 C ATOM 825 C LYS A 55 -6.358 26.675 -17.229 1.00 30.04 C ATOM 826 O LYS A 55 -5.909 27.625 -17.871 1.00 33.44 O ATOM 827 CB LYS A 55 -5.053 24.544 -17.345 1.00 4.34 C ATOM 828 CG LYS A 55 -4.480 24.939 -18.695 1.00 61.13 C ATOM 829 CD LYS A 55 -5.211 24.247 -19.835 1.00 32.24 C ATOM 830 CE LYS A 55 -5.265 25.125 -21.075 1.00 73.20 C ATOM 831 NZ LYS A 55 -4.861 24.379 -22.301 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.219 24.276 -15.191 1.00 0.11 H new ATOM 0 HA LYS A 55 -4.522 26.290 -16.205 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -4.325 23.928 -16.817 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -5.939 23.928 -17.501 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -4.550 26.020 -18.819 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -3.421 24.682 -18.731 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -4.710 23.309 -20.074 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -6.224 23.997 -19.520 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -6.276 25.512 -21.202 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -4.609 25.985 -20.940 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -4.911 25.012 -23.125 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -3.887 24.031 -22.190 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -5.503 23.573 -22.444 1.00 23.02 H new ATOM 845 N ARG A 56 -7.656 26.401 -17.154 1.00 42.23 N ATOM 846 CA ARG A 56 -8.650 27.220 -17.837 1.00 60.15 C ATOM 847 C ARG A 56 -8.683 28.632 -17.260 1.00 33.12 C ATOM 848 O ARG A 56 -8.996 29.591 -17.962 1.00 23.12 O ATOM 849 CB ARG A 56 -10.035 26.577 -17.725 1.00 63.23 C ATOM 850 CG ARG A 56 -10.040 25.086 -18.018 1.00 4.43 C ATOM 851 CD ARG A 56 -11.335 24.655 -18.687 1.00 71.40 C ATOM 852 NE ARG A 56 -11.405 23.207 -18.862 1.00 11.52 N ATOM 853 CZ ARG A 56 -10.812 22.557 -19.857 1.00 41.21 C ATOM 854 NH1 ARG A 56 -10.107 23.221 -20.761 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -10.922 21.238 -19.947 1.00 63.40 N ATOM 0 H ARG A 56 -8.044 25.618 -16.627 1.00 42.23 H new ATOM 0 HA ARG A 56 -8.371 27.284 -18.889 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.423 26.742 -16.720 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -10.715 27.077 -18.415 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -9.196 24.838 -18.662 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -9.907 24.531 -17.089 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.182 24.989 -18.087 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -11.421 25.142 -19.658 1.00 71.40 H new ATOM 0 HE ARG A 56 -11.939 22.665 -18.183 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -10.018 24.235 -20.694 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -9.653 22.718 -21.524 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -11.462 20.723 -19.252 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -10.466 20.739 -20.711 1.00 63.40 H new ATOM 869 N GLU A 57 -8.360 28.748 -15.975 1.00 1.14 N ATOM 870 CA GLU A 57 -8.355 30.042 -15.303 1.00 73.50 C ATOM 871 C GLU A 57 -6.991 30.715 -15.430 1.00 75.12 C ATOM 872 O GLU A 57 -6.871 31.932 -15.287 1.00 65.11 O ATOM 873 CB GLU A 57 -8.720 29.876 -13.827 1.00 24.12 C ATOM 874 CG GLU A 57 -10.196 29.609 -13.591 1.00 62.23 C ATOM 875 CD GLU A 57 -10.514 29.341 -12.133 1.00 4.11 C ATOM 876 OE1 GLU A 57 -10.677 30.318 -11.372 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.602 28.155 -11.752 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.099 27.962 -15.380 1.00 1.14 H new ATOM 0 HA GLU A 57 -9.100 30.676 -15.784 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -8.139 29.054 -13.408 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.432 30.778 -13.287 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.776 30.466 -13.934 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.507 28.753 -14.190 1.00 62.23 H new ATOM 884 N LYS A 58 -5.965 29.914 -15.700 1.00 50.53 N ATOM 885 CA LYS A 58 -4.609 30.430 -15.846 1.00 42.02 C ATOM 886 C LYS A 58 -4.153 31.131 -14.571 1.00 73.23 C ATOM 887 O LYS A 58 -3.766 32.300 -14.598 1.00 73.04 O ATOM 888 CB LYS A 58 -4.535 31.399 -17.030 1.00 61.50 C ATOM 889 CG LYS A 58 -4.899 30.764 -18.360 1.00 44.31 C ATOM 890 CD LYS A 58 -3.661 30.384 -19.154 1.00 22.35 C ATOM 891 CE LYS A 58 -2.892 29.258 -18.482 1.00 42.41 C ATOM 892 NZ LYS A 58 -1.853 29.775 -17.548 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.047 28.905 -15.822 1.00 50.53 H new ATOM 0 HA LYS A 58 -3.944 29.587 -16.032 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.204 32.239 -16.843 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.525 31.804 -17.095 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -5.507 29.876 -18.186 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -5.506 31.458 -18.941 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -3.952 30.078 -20.159 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -3.014 31.255 -19.260 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -3.586 28.620 -17.935 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -2.419 28.637 -19.243 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -0.940 29.324 -17.760 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -1.765 30.805 -17.662 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.127 29.557 -16.569 1.00 3.31 H new ATOM 906 N VAL A 59 -4.200 30.410 -13.456 1.00 2.35 N ATOM 907 CA VAL A 59 -3.788 30.963 -12.170 1.00 3.13 C ATOM 908 C VAL A 59 -2.915 29.977 -11.402 1.00 32.04 C ATOM 909 O VAL A 59 -3.371 28.903 -11.009 1.00 24.43 O ATOM 910 CB VAL A 59 -5.006 31.336 -11.305 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.958 30.155 -11.186 1.00 75.04 C ATOM 912 CG2 VAL A 59 -4.556 31.809 -9.930 1.00 61.33 C ATOM 0 H VAL A 59 -4.519 29.442 -13.416 1.00 2.35 H new ATOM 0 HA VAL A 59 -3.212 31.864 -12.382 1.00 3.13 H new ATOM 0 HB VAL A 59 -5.539 32.154 -11.790 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.813 30.437 -10.571 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -6.304 29.865 -12.178 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -5.440 29.315 -10.723 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -5.429 32.069 -9.331 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -4.000 31.013 -9.435 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -3.916 32.685 -10.038 1.00 61.33 H new ATOM 922 N ASP A 60 -1.657 30.348 -11.194 1.00 14.15 N ATOM 923 CA ASP A 60 -0.719 29.498 -10.471 1.00 22.51 C ATOM 924 C ASP A 60 -1.242 29.174 -9.075 1.00 13.20 C ATOM 925 O ASP A 60 -1.646 30.067 -8.330 1.00 44.21 O ATOM 926 CB ASP A 60 0.648 30.178 -10.371 1.00 60.44 C ATOM 927 CG ASP A 60 0.536 31.663 -10.085 1.00 44.41 C ATOM 928 OD1 ASP A 60 -0.454 32.069 -9.438 1.00 45.21 O ATOM 929 OD2 ASP A 60 1.436 32.419 -10.507 1.00 43.53 O1- ATOM 0 H ASP A 60 -1.263 31.232 -11.516 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.613 28.565 -11.025 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.231 29.702 -9.582 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.193 30.031 -11.303 1.00 60.44 H new ATOM 934 N ARG A 61 -1.235 27.891 -8.729 1.00 3.03 N ATOM 935 CA ARG A 61 -1.711 27.449 -7.424 1.00 14.00 C ATOM 936 C ARG A 61 -0.761 26.421 -6.817 1.00 1.23 C ATOM 937 O ARG A 61 -0.116 25.656 -7.535 1.00 63.34 O ATOM 938 CB ARG A 61 -3.115 26.853 -7.545 1.00 5.22 C ATOM 939 CG ARG A 61 -4.136 27.812 -8.132 1.00 53.15 C ATOM 940 CD ARG A 61 -5.141 28.265 -7.087 1.00 54.13 C ATOM 941 NE ARG A 61 -6.325 27.411 -7.059 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.491 27.787 -6.544 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.629 28.995 -6.018 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.522 26.952 -6.557 1.00 12.20 N ATOM 0 H ARG A 61 -0.905 27.139 -9.334 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.747 28.317 -6.766 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -3.069 25.960 -8.168 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.452 26.536 -6.558 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.624 28.681 -8.546 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.660 27.327 -8.956 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.669 28.262 -6.105 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.440 29.293 -7.293 1.00 54.13 H new ATOM 0 HE ARG A 61 -6.253 26.474 -7.457 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.839 29.640 -6.007 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.525 29.280 -5.624 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.420 26.022 -6.962 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.417 27.241 -6.162 1.00 12.20 H new ATOM 958 N CYS A 62 -0.678 26.409 -5.491 1.00 42.04 N ATOM 959 CA CYS A 62 0.193 25.477 -4.787 1.00 0.35 C ATOM 960 C CYS A 62 -0.287 24.039 -4.969 1.00 41.03 C ATOM 961 O CYS A 62 -1.453 23.729 -4.728 1.00 41.35 O ATOM 962 CB CYS A 62 0.248 25.822 -3.297 1.00 62.15 C ATOM 963 SG CYS A 62 1.105 24.581 -2.277 1.00 73.51 S ATOM 0 H CYS A 62 -1.204 27.035 -4.882 1.00 42.04 H new ATOM 0 HA CYS A 62 1.193 25.565 -5.211 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.747 26.783 -3.176 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.770 25.942 -2.925 1.00 62.15 H new ATOM 968 N TYR A 63 0.621 23.168 -5.396 1.00 45.52 N ATOM 969 CA TYR A 63 0.291 21.765 -5.611 1.00 14.20 C ATOM 970 C TYR A 63 1.332 20.855 -4.968 1.00 21.05 C ATOM 971 O TYR A 63 2.481 21.250 -4.771 1.00 3.33 O ATOM 972 CB TYR A 63 0.193 21.467 -7.109 1.00 45.41 C ATOM 973 CG TYR A 63 1.515 21.563 -7.834 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.396 20.488 -7.858 1.00 1.01 C ATOM 975 CD2 TYR A 63 1.886 22.728 -8.495 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.607 20.572 -8.518 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.094 22.819 -9.158 1.00 13.22 C ATOM 978 CZ TYR A 63 3.952 21.739 -9.167 1.00 70.24 C ATOM 979 OH TYR A 63 5.156 21.825 -9.826 1.00 43.32 O ATOM 0 H TYR A 63 1.591 23.409 -5.600 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.674 21.569 -5.143 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.214 20.465 -7.245 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.512 22.163 -7.564 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.129 19.572 -7.352 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.218 23.577 -8.490 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.280 19.728 -8.526 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.366 23.732 -9.667 1.00 13.22 H new ATOM 0 HH TYR A 63 5.245 22.713 -10.231 1.00 43.32 H new ATOM 989 N ILE A 64 0.921 19.633 -4.646 1.00 55.33 N ATOM 990 CA ILE A 64 1.819 18.665 -4.027 1.00 5.43 C ATOM 991 C ILE A 64 1.510 17.248 -4.501 1.00 12.54 C ATOM 992 O ILE A 64 0.408 16.740 -4.298 1.00 4.15 O ATOM 993 CB ILE A 64 1.723 18.712 -2.490 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.127 20.094 -1.974 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.602 17.634 -1.873 1.00 44.01 C ATOM 996 CD1 ILE A 64 1.990 20.244 -0.476 1.00 11.12 C ATOM 0 H ILE A 64 -0.027 19.290 -4.803 1.00 55.33 H new ATOM 0 HA ILE A 64 2.831 18.934 -4.329 1.00 5.43 H new ATOM 0 HB ILE A 64 0.690 18.524 -2.199 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.161 20.291 -2.257 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.513 20.850 -2.464 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.524 17.679 -0.787 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.274 16.654 -2.220 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.638 17.796 -2.170 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.294 21.249 -0.182 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.952 20.080 -0.187 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.625 19.512 0.023 1.00 11.12 H new ATOM 1008 N CYS A 65 2.493 16.615 -5.132 1.00 21.21 N ATOM 1009 CA CYS A 65 2.329 15.256 -5.635 1.00 73.21 C ATOM 1010 C CYS A 65 3.335 14.310 -4.984 1.00 10.41 C ATOM 1011 O CYS A 65 4.281 14.748 -4.331 1.00 53.41 O ATOM 1012 CB CYS A 65 2.497 15.228 -7.156 1.00 24.12 C ATOM 1013 SG CYS A 65 1.332 16.303 -8.052 1.00 3.43 S ATOM 0 H CYS A 65 3.412 17.021 -5.307 1.00 21.21 H new ATOM 0 HA CYS A 65 1.323 14.921 -5.381 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.515 15.527 -7.404 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.372 14.203 -7.506 1.00 24.12 H new ATOM 1018 N ASN A 66 3.120 13.011 -5.166 1.00 44.32 N ATOM 1019 CA ASN A 66 4.007 12.004 -4.597 1.00 53.41 C ATOM 1020 C ASN A 66 5.236 11.798 -5.478 1.00 40.54 C ATOM 1021 O ASN A 66 5.277 12.258 -6.618 1.00 42.44 O ATOM 1022 CB ASN A 66 3.262 10.678 -4.424 1.00 4.34 C ATOM 1023 CG ASN A 66 2.790 10.104 -5.746 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.753 10.801 -6.761 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.425 8.828 -5.739 1.00 12.22 N ATOM 0 H ASN A 66 2.340 12.632 -5.703 1.00 44.32 H new ATOM 0 HA ASN A 66 4.338 12.358 -3.621 1.00 53.41 H new ATOM 0 HB2 ASN A 66 3.916 9.958 -3.931 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.404 10.829 -3.769 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.097 8.387 -6.598 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.472 8.289 -4.874 1.00 12.22 H new ATOM 1032 N ASN A 67 6.233 11.104 -4.941 1.00 11.55 N ATOM 1033 CA ASN A 67 7.463 10.838 -5.679 1.00 15.23 C ATOM 1034 C ASN A 67 7.170 10.076 -6.968 1.00 64.24 C ATOM 1035 O ASN A 67 7.881 10.220 -7.962 1.00 61.44 O ATOM 1036 CB ASN A 67 8.439 10.040 -4.814 1.00 20.14 C ATOM 1037 CG ASN A 67 7.936 8.640 -4.515 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.257 7.689 -5.226 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.144 8.510 -3.456 1.00 24.13 N ATOM 0 H ASN A 67 6.214 10.715 -3.998 1.00 11.55 H new ATOM 0 HA ASN A 67 7.916 11.795 -5.938 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.402 9.977 -5.321 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.607 10.571 -3.877 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.776 7.593 -3.204 1.00 24.13 H new ATOM 0 HD22 ASN A 67 6.904 9.327 -2.895 1.00 24.13 H new ATOM 1046 N GLU A 68 6.116 9.266 -6.945 1.00 2.34 N ATOM 1047 CA GLU A 68 5.729 8.482 -8.111 1.00 64.21 C ATOM 1048 C GLU A 68 4.999 9.349 -9.132 1.00 23.15 C ATOM 1049 O GLU A 68 4.747 8.924 -10.260 1.00 62.10 O ATOM 1050 CB GLU A 68 4.840 7.309 -7.693 1.00 13.03 C ATOM 1051 CG GLU A 68 5.395 6.508 -6.528 1.00 32.42 C ATOM 1052 CD GLU A 68 4.895 5.077 -6.511 1.00 43.55 C ATOM 1053 OE1 GLU A 68 5.407 4.262 -7.308 1.00 63.23 O1- ATOM 1054 OE2 GLU A 68 3.992 4.772 -5.704 1.00 12.11 O ATOM 0 H GLU A 68 5.515 9.136 -6.131 1.00 2.34 H new ATOM 0 HA GLU A 68 6.637 8.094 -8.573 1.00 64.21 H new ATOM 0 HB2 GLU A 68 3.854 7.689 -7.424 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.704 6.645 -8.547 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.484 6.508 -6.579 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.120 6.996 -5.593 1.00 32.42 H new ATOM 1061 N LYS A 69 4.660 10.570 -8.728 1.00 71.44 N ATOM 1062 CA LYS A 69 3.959 11.498 -9.606 1.00 40.30 C ATOM 1063 C LYS A 69 2.679 10.874 -10.150 1.00 12.13 C ATOM 1064 O LYS A 69 2.208 11.236 -11.229 1.00 32.33 O ATOM 1065 CB LYS A 69 4.866 11.920 -10.765 1.00 41.01 C ATOM 1066 CG LYS A 69 5.821 13.047 -10.413 1.00 21.00 C ATOM 1067 CD LYS A 69 6.495 13.615 -11.651 1.00 71.15 C ATOM 1068 CE LYS A 69 7.831 14.258 -11.313 1.00 4.11 C ATOM 1069 NZ LYS A 69 8.895 13.241 -11.086 1.00 61.00 N1+ ATOM 0 H LYS A 69 4.860 10.939 -7.798 1.00 71.44 H new ATOM 0 HA LYS A 69 3.692 12.379 -9.022 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.443 11.057 -11.096 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.246 12.230 -11.606 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.277 13.839 -9.899 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.579 12.680 -9.721 1.00 21.00 H new ATOM 0 HD2 LYS A 69 6.647 12.820 -12.381 1.00 71.15 H new ATOM 0 HD3 LYS A 69 5.842 14.354 -12.116 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.130 14.922 -12.124 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.722 14.875 -10.421 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.818 13.715 -11.010 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.698 12.723 -10.206 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 8.914 12.574 -11.884 1.00 61.00 H new ATOM 1083 N THR A 70 2.117 9.936 -9.395 1.00 30.31 N ATOM 1084 CA THR A 70 0.891 9.261 -9.800 1.00 22.31 C ATOM 1085 C THR A 70 -0.330 9.897 -9.143 1.00 43.33 C ATOM 1086 O THR A 70 -1.410 9.947 -9.733 1.00 43.31 O ATOM 1087 CB THR A 70 0.929 7.764 -9.444 1.00 53.45 C ATOM 1088 OG1 THR A 70 0.926 7.597 -8.021 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.163 7.098 -10.034 1.00 43.40 C ATOM 0 H THR A 70 2.492 9.626 -8.498 1.00 30.31 H new ATOM 0 HA THR A 70 0.815 9.367 -10.882 1.00 22.31 H new ATOM 0 HB THR A 70 0.042 7.291 -9.867 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.537 6.871 -7.776 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.168 6.041 -9.769 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.148 7.200 -11.119 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.059 7.575 -9.637 1.00 43.40 H new ATOM 1097 N LEU A 71 -0.151 10.381 -7.918 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.239 11.015 -7.180 1.00 63.21 C ATOM 1099 C LEU A 71 -0.913 12.473 -6.879 1.00 74.32 C ATOM 1100 O LEU A 71 0.243 12.828 -6.643 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.506 10.260 -5.879 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.897 10.442 -5.270 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.846 9.368 -5.776 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.821 10.416 -3.749 1.00 23.13 C ATOM 0 H LEU A 71 0.736 10.347 -7.415 1.00 55.15 H new ATOM 0 HA LEU A 71 -2.135 10.983 -7.800 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.347 9.197 -6.060 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.765 10.572 -5.143 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.283 11.413 -5.578 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.831 9.514 -5.332 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.924 9.433 -6.861 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.465 8.385 -5.498 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.820 10.547 -3.333 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.414 9.460 -3.421 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.175 11.223 -3.403 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.940 13.317 -6.884 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.765 14.738 -6.608 1.00 32.24 C ATOM 1118 C CYS A 72 -2.967 15.298 -5.854 1.00 44.23 C ATOM 1119 O CYS A 72 -4.038 14.689 -5.827 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.562 15.510 -7.911 1.00 15.44 C ATOM 1121 SG CYS A 72 -0.073 15.023 -8.841 1.00 43.01 S ATOM 0 H CYS A 72 -2.903 13.041 -7.076 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.880 14.855 -5.983 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.437 15.367 -8.546 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.504 16.575 -7.685 1.00 15.44 H new ATOM 1126 N THR A 73 -2.784 16.463 -5.241 1.00 61.13 N ATOM 1127 CA THR A 73 -3.853 17.106 -4.486 1.00 22.22 C ATOM 1128 C THR A 73 -5.117 17.240 -5.327 1.00 44.15 C ATOM 1129 O THR A 73 -5.050 17.380 -6.547 1.00 61.12 O ATOM 1130 CB THR A 73 -3.429 18.502 -3.990 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.496 19.085 -4.907 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.803 18.418 -2.607 1.00 55.11 C ATOM 0 H THR A 73 -1.905 16.981 -5.252 1.00 61.13 H new ATOM 0 HA THR A 73 -4.059 16.470 -3.625 1.00 22.22 H new ATOM 0 HB THR A 73 -4.319 19.128 -3.931 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.233 19.973 -4.586 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.512 19.416 -2.278 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.525 18.001 -1.905 1.00 55.11 H new ATOM 0 HG23 THR A 73 -1.922 17.777 -2.645 1.00 55.11 H new ATOM 1140 N SER A 74 -6.270 17.196 -4.665 1.00 30.10 N ATOM 1141 CA SER A 74 -7.550 17.309 -5.354 1.00 62.43 C ATOM 1142 C SER A 74 -7.647 18.633 -6.106 1.00 35.40 C ATOM 1143 O SER A 74 -7.033 19.627 -5.718 1.00 60.23 O ATOM 1144 CB SER A 74 -8.702 17.192 -4.353 1.00 23.42 C ATOM 1145 OG SER A 74 -9.951 17.403 -4.988 1.00 21.12 O ATOM 0 H SER A 74 -6.343 17.083 -3.654 1.00 30.10 H new ATOM 0 HA SER A 74 -7.620 16.496 -6.076 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.688 16.205 -3.890 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.569 17.921 -3.553 1.00 23.42 H new ATOM 0 HG SER A 74 -10.671 17.321 -4.328 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.423 18.637 -7.184 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.603 19.838 -7.992 1.00 11.13 C ATOM 1153 C VAL A 75 -9.433 20.879 -7.251 1.00 25.41 C ATOM 1154 O VAL A 75 -9.311 22.078 -7.502 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.285 19.514 -9.334 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.637 18.859 -9.103 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.432 20.774 -10.175 1.00 0.01 C ATOM 0 H VAL A 75 -8.938 17.822 -7.519 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.609 20.241 -8.186 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.656 18.811 -9.879 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.103 18.638 -10.063 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.502 17.933 -8.543 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.277 19.535 -8.536 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -9.916 20.526 -11.120 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.039 21.502 -9.637 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.447 21.197 -10.372 1.00 0.01 H new ATOM 1167 N MET A 76 -10.278 20.414 -6.338 1.00 43.31 N ATOM 1168 CA MET A 76 -11.130 21.306 -5.557 1.00 43.13 C ATOM 1169 C MET A 76 -10.823 21.184 -4.069 1.00 51.03 C ATOM 1170 O MET A 76 -11.525 21.754 -3.232 1.00 70.34 O ATOM 1171 CB MET A 76 -12.605 20.992 -5.815 1.00 71.42 C ATOM 1172 CG MET A 76 -13.018 21.168 -7.267 1.00 32.35 C ATOM 1173 SD MET A 76 -14.796 20.977 -7.508 1.00 71.52 S ATOM 1174 CE MET A 76 -15.416 22.372 -6.572 1.00 75.53 C ATOM 0 H MET A 76 -10.392 19.424 -6.120 1.00 43.31 H new ATOM 0 HA MET A 76 -10.925 22.330 -5.869 1.00 43.13 H new ATOM 0 HB2 MET A 76 -12.808 19.966 -5.510 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.221 21.639 -5.190 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.712 22.156 -7.611 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.491 20.439 -7.882 1.00 32.35 H new ATOM 0 HE1 MET A 76 -16.174 22.894 -7.156 1.00 75.53 H new ATOM 0 HE2 MET A 76 -15.856 22.018 -5.640 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.596 23.054 -6.350 1.00 75.53 H new