USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.711 K(o=-0.71,f=-2.3!) USER MOD Set 2.1: A 29 TYR OH : rot 167:sc= 1.23 USER MOD Set 2.2: A 97 THR OG1 : rot 56:sc= 1.01 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.973 X(o=-0.97,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-8.8!) USER MOD Single : A 38 SER OG : rot -79:sc= 0.455 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 THR OG1 : rot -19:sc= 1.74 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.357 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.49 K(o=-0.49,f=-4.5!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 67 SER OG : rot 89:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 80 ASN : amide:sc= -2.96! C(o=-3!,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.244 USER MOD Single : A 89 HIS : +bothHN:sc= 0.675 K(o=0.68,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.618 -5.652 -8.956 1.00 25.25 N ATOM 64 CA VAL A 7 9.484 -6.694 -8.418 1.00 4.40 C ATOM 65 C VAL A 7 10.902 -6.566 -8.962 1.00 43.22 C ATOM 66 O VAL A 7 11.835 -6.243 -8.225 1.00 30.22 O ATOM 67 CB VAL A 7 8.944 -8.098 -8.749 1.00 73.14 C ATOM 68 CG1 VAL A 7 9.785 -9.168 -8.071 1.00 64.43 C ATOM 69 CG2 VAL A 7 7.484 -8.217 -8.338 1.00 15.11 C ATOM 0 HA VAL A 7 9.500 -6.564 -7.336 1.00 4.40 H new ATOM 0 HB VAL A 7 9.009 -8.248 -9.827 1.00 73.14 H new ATOM 0 HG11 VAL A 7 9.388 -10.153 -8.317 1.00 64.43 H new ATOM 0 HG12 VAL A 7 10.816 -9.095 -8.418 1.00 64.43 H new ATOM 0 HG13 VAL A 7 9.755 -9.024 -6.991 1.00 64.43 H new ATOM 0 HG21 VAL A 7 7.118 -9.215 -8.579 1.00 15.11 H new ATOM 0 HG22 VAL A 7 7.393 -8.046 -7.265 1.00 15.11 H new ATOM 0 HG23 VAL A 7 6.893 -7.475 -8.875 1.00 15.11 H new ATOM 79 N LEU A 8 11.059 -6.822 -10.257 1.00 44.13 N ATOM 80 CA LEU A 8 12.364 -6.736 -10.901 1.00 35.44 C ATOM 81 C LEU A 8 12.557 -5.372 -11.558 1.00 10.14 C ATOM 82 O LEU A 8 11.687 -4.893 -12.284 1.00 75.14 O ATOM 83 CB LEU A 8 12.515 -7.843 -11.944 1.00 15.34 C ATOM 84 CG LEU A 8 12.387 -9.276 -11.426 1.00 22.33 C ATOM 85 CD1 LEU A 8 12.539 -10.272 -12.566 1.00 71.25 C ATOM 86 CD2 LEU A 8 13.419 -9.543 -10.340 1.00 12.42 C ATOM 0 H LEU A 8 10.298 -7.091 -10.881 1.00 44.13 H new ATOM 0 HA LEU A 8 13.129 -6.862 -10.135 1.00 35.44 H new ATOM 0 HB2 LEU A 8 11.764 -7.690 -12.719 1.00 15.34 H new ATOM 0 HB3 LEU A 8 13.490 -7.736 -12.420 1.00 15.34 H new ATOM 0 HG LEU A 8 11.394 -9.399 -10.994 1.00 22.33 H new ATOM 0 HD11 LEU A 8 12.445 -11.286 -12.178 1.00 71.25 H new ATOM 0 HD12 LEU A 8 11.762 -10.095 -13.310 1.00 71.25 H new ATOM 0 HD13 LEU A 8 13.519 -10.150 -13.028 1.00 71.25 H new ATOM 0 HD21 LEU A 8 13.314 -10.567 -9.982 1.00 12.42 H new ATOM 0 HD22 LEU A 8 14.420 -9.401 -10.747 1.00 12.42 H new ATOM 0 HD23 LEU A 8 13.263 -8.852 -9.512 1.00 12.42 H new ATOM 98 N SER A 9 13.706 -4.754 -11.301 1.00 54.22 N ATOM 99 CA SER A 9 14.013 -3.445 -11.866 1.00 70.24 C ATOM 100 C SER A 9 14.397 -3.566 -13.337 1.00 11.45 C ATOM 101 O SER A 9 14.281 -4.634 -13.936 1.00 65.01 O ATOM 102 CB SER A 9 15.148 -2.782 -11.083 1.00 10.22 C ATOM 103 OG SER A 9 16.402 -3.030 -11.696 1.00 72.54 O ATOM 0 H SER A 9 14.439 -5.139 -10.705 1.00 54.22 H new ATOM 0 HA SER A 9 13.120 -2.825 -11.791 1.00 70.24 H new ATOM 0 HB2 SER A 9 14.974 -1.708 -11.024 1.00 10.22 H new ATOM 0 HB3 SER A 9 15.158 -3.160 -10.061 1.00 10.22 H new ATOM 0 HG SER A 9 17.111 -2.595 -11.178 1.00 72.54 H new ATOM 109 N GLY A 10 14.855 -2.460 -13.916 1.00 61.31 N ATOM 110 CA GLY A 10 15.250 -2.461 -15.312 1.00 54.13 C ATOM 111 C GLY A 10 16.343 -3.468 -15.605 1.00 4.42 C ATOM 112 O GLY A 10 16.213 -4.292 -16.509 1.00 24.41 O ATOM 0 H GLY A 10 14.959 -1.563 -13.442 1.00 61.31 H new ATOM 0 HA2 GLY A 10 14.381 -2.682 -15.932 1.00 54.13 H new ATOM 0 HA3 GLY A 10 15.594 -1.465 -15.590 1.00 54.13 H new ATOM 116 N GLY A 11 17.428 -3.402 -14.838 1.00 31.30 N ATOM 117 CA GLY A 11 18.535 -4.319 -15.036 1.00 40.53 C ATOM 118 C GLY A 11 18.145 -5.761 -14.778 1.00 25.42 C ATOM 119 O GLY A 11 18.538 -6.659 -15.522 1.00 64.21 O ATOM 0 H GLY A 11 17.559 -2.729 -14.083 1.00 31.30 H new ATOM 0 HA2 GLY A 11 18.905 -4.223 -16.057 1.00 40.53 H new ATOM 0 HA3 GLY A 11 19.355 -4.043 -14.373 1.00 40.53 H new ATOM 123 N GLU A 12 17.373 -5.983 -13.719 1.00 71.14 N ATOM 124 CA GLU A 12 16.934 -7.328 -13.363 1.00 71.33 C ATOM 125 C GLU A 12 15.993 -7.891 -14.424 1.00 74.02 C ATOM 126 O GLU A 12 16.029 -9.083 -14.732 1.00 50.42 O ATOM 127 CB GLU A 12 16.235 -7.316 -12.002 1.00 44.23 C ATOM 128 CG GLU A 12 17.002 -6.558 -10.931 1.00 62.35 C ATOM 129 CD GLU A 12 16.399 -6.728 -9.550 1.00 12.42 C ATOM 130 OE1 GLU A 12 15.420 -6.017 -9.238 1.00 30.03 O ATOM 131 OE2 GLU A 12 16.905 -7.572 -8.781 1.00 12.51 O1- ATOM 0 H GLU A 12 17.039 -5.250 -13.093 1.00 71.14 H new ATOM 0 HA GLU A 12 17.815 -7.967 -13.306 1.00 71.33 H new ATOM 0 HB2 GLU A 12 15.247 -6.870 -12.114 1.00 44.23 H new ATOM 0 HB3 GLU A 12 16.085 -8.344 -11.671 1.00 44.23 H new ATOM 0 HG2 GLU A 12 18.036 -6.903 -10.917 1.00 62.35 H new ATOM 0 HG3 GLU A 12 17.023 -5.498 -11.186 1.00 62.35 H new ATOM 138 N LEU A 13 15.151 -7.026 -14.980 1.00 43.32 N ATOM 139 CA LEU A 13 14.200 -7.436 -16.006 1.00 51.11 C ATOM 140 C LEU A 13 14.920 -8.043 -17.206 1.00 23.04 C ATOM 141 O LEU A 13 14.488 -9.056 -17.756 1.00 75.41 O ATOM 142 CB LEU A 13 13.356 -6.241 -16.455 1.00 5.25 C ATOM 143 CG LEU A 13 12.092 -6.572 -17.249 1.00 21.12 C ATOM 144 CD1 LEU A 13 11.096 -7.321 -16.379 1.00 64.05 C ATOM 145 CD2 LEU A 13 11.466 -5.303 -17.808 1.00 35.41 C ATOM 0 H LEU A 13 15.108 -6.036 -14.737 1.00 43.32 H new ATOM 0 HA LEU A 13 13.546 -8.195 -15.576 1.00 51.11 H new ATOM 0 HB2 LEU A 13 13.067 -5.673 -15.571 1.00 5.25 H new ATOM 0 HB3 LEU A 13 13.982 -5.588 -17.063 1.00 5.25 H new ATOM 0 HG LEU A 13 12.369 -7.215 -18.084 1.00 21.12 H new ATOM 0 HD11 LEU A 13 10.203 -7.548 -16.961 1.00 64.05 H new ATOM 0 HD12 LEU A 13 11.546 -8.250 -16.028 1.00 64.05 H new ATOM 0 HD13 LEU A 13 10.824 -6.703 -15.523 1.00 64.05 H new ATOM 0 HD21 LEU A 13 10.568 -5.558 -18.370 1.00 35.41 H new ATOM 0 HD22 LEU A 13 11.204 -4.635 -16.988 1.00 35.41 H new ATOM 0 HD23 LEU A 13 12.178 -4.806 -18.467 1.00 35.41 H new ATOM 157 N ASP A 14 16.023 -7.418 -17.605 1.00 41.44 N ATOM 158 CA ASP A 14 16.807 -7.898 -18.737 1.00 73.21 C ATOM 159 C ASP A 14 17.230 -9.349 -18.529 1.00 63.24 C ATOM 160 O ASP A 14 16.949 -10.215 -19.358 1.00 20.43 O ATOM 161 CB ASP A 14 18.041 -7.018 -18.941 1.00 70.34 C ATOM 162 CG ASP A 14 18.718 -7.269 -20.273 1.00 41.51 C ATOM 163 OD1 ASP A 14 19.366 -8.327 -20.420 1.00 30.40 O ATOM 164 OD2 ASP A 14 18.599 -6.409 -21.171 1.00 61.12 O1- ATOM 0 H ASP A 14 16.394 -6.578 -17.161 1.00 41.44 H new ATOM 0 HA ASP A 14 16.182 -7.845 -19.628 1.00 73.21 H new ATOM 0 HB2 ASP A 14 17.750 -5.969 -18.877 1.00 70.34 H new ATOM 0 HB3 ASP A 14 18.752 -7.202 -18.135 1.00 70.34 H new ATOM 169 N LYS A 15 17.910 -9.607 -17.417 1.00 43.31 N ATOM 170 CA LYS A 15 18.373 -10.953 -17.097 1.00 33.12 C ATOM 171 C LYS A 15 17.195 -11.905 -16.918 1.00 11.05 C ATOM 172 O LYS A 15 17.243 -13.054 -17.357 1.00 14.32 O ATOM 173 CB LYS A 15 19.225 -10.932 -15.827 1.00 45.32 C ATOM 174 CG LYS A 15 20.714 -10.800 -16.094 1.00 20.12 C ATOM 175 CD LYS A 15 21.456 -10.284 -14.873 1.00 25.23 C ATOM 176 CE LYS A 15 21.588 -8.769 -14.900 1.00 1.11 C ATOM 177 NZ LYS A 15 20.919 -8.133 -13.733 1.00 72.34 N1+ ATOM 0 H LYS A 15 18.153 -8.901 -16.722 1.00 43.31 H new ATOM 0 HA LYS A 15 18.981 -11.309 -17.928 1.00 33.12 H new ATOM 0 HB2 LYS A 15 18.903 -10.103 -15.197 1.00 45.32 H new ATOM 0 HB3 LYS A 15 19.045 -11.848 -15.264 1.00 45.32 H new ATOM 0 HG2 LYS A 15 21.120 -11.769 -16.385 1.00 20.12 H new ATOM 0 HG3 LYS A 15 20.876 -10.122 -16.932 1.00 20.12 H new ATOM 0 HD2 LYS A 15 20.928 -10.588 -13.969 1.00 25.23 H new ATOM 0 HD3 LYS A 15 22.447 -10.736 -14.830 1.00 25.23 H new ATOM 0 HE2 LYS A 15 22.643 -8.497 -14.906 1.00 1.11 H new ATOM 0 HE3 LYS A 15 21.154 -8.383 -15.822 1.00 1.11 H new ATOM 0 HZ1 LYS A 15 21.032 -7.101 -13.788 1.00 72.34 H new ATOM 0 HZ2 LYS A 15 19.907 -8.372 -13.741 1.00 72.34 H new ATOM 0 HZ3 LYS A 15 21.350 -8.482 -12.853 1.00 72.34 H new ATOM 191 N TRP A 16 16.141 -11.420 -16.272 1.00 34.11 N ATOM 192 CA TRP A 16 14.951 -12.229 -16.037 1.00 71.21 C ATOM 193 C TRP A 16 14.409 -12.794 -17.345 1.00 35.51 C ATOM 194 O TRP A 16 14.225 -14.003 -17.481 1.00 60.15 O ATOM 195 CB TRP A 16 13.873 -11.397 -15.341 1.00 1.10 C ATOM 196 CG TRP A 16 12.575 -12.127 -15.173 1.00 74.21 C ATOM 197 CD1 TRP A 16 11.466 -12.019 -15.963 1.00 42.23 C ATOM 198 CD2 TRP A 16 12.251 -13.074 -14.150 1.00 63.44 C ATOM 199 NE1 TRP A 16 10.472 -12.843 -15.491 1.00 2.53 N ATOM 200 CE2 TRP A 16 10.929 -13.502 -14.381 1.00 52.13 C ATOM 201 CE3 TRP A 16 12.949 -13.605 -13.061 1.00 22.44 C ATOM 202 CZ2 TRP A 16 10.294 -14.433 -13.563 1.00 62.14 C ATOM 203 CZ3 TRP A 16 12.318 -14.529 -12.251 1.00 62.43 C ATOM 204 CH2 TRP A 16 11.002 -14.936 -12.504 1.00 13.42 C ATOM 0 H TRP A 16 16.086 -10.471 -15.902 1.00 34.11 H new ATOM 0 HA TRP A 16 15.230 -13.062 -15.392 1.00 71.21 H new ATOM 0 HB2 TRP A 16 14.238 -11.089 -14.361 1.00 1.10 H new ATOM 0 HB3 TRP A 16 13.698 -10.488 -15.916 1.00 1.10 H new ATOM 0 HD1 TRP A 16 11.382 -11.381 -16.830 1.00 42.23 H new ATOM 0 HE1 TRP A 16 9.544 -12.947 -15.901 1.00 2.53 H new ATOM 0 HE3 TRP A 16 13.964 -13.298 -12.857 1.00 22.44 H new ATOM 0 HZ2 TRP A 16 9.279 -14.747 -13.757 1.00 62.14 H new ATOM 0 HZ3 TRP A 16 12.849 -14.945 -11.408 1.00 62.43 H new ATOM 0 HH2 TRP A 16 10.537 -15.660 -11.852 1.00 13.42 H new ATOM 215 N GLU A 17 14.155 -11.910 -18.306 1.00 43.40 N ATOM 216 CA GLU A 17 13.633 -12.323 -19.604 1.00 63.20 C ATOM 217 C GLU A 17 14.579 -13.311 -20.282 1.00 70.33 C ATOM 218 O GLU A 17 14.158 -14.129 -21.101 1.00 23.52 O ATOM 219 CB GLU A 17 13.421 -11.104 -20.504 1.00 24.14 C ATOM 220 CG GLU A 17 12.209 -10.270 -20.124 1.00 61.42 C ATOM 221 CD GLU A 17 11.701 -9.422 -21.274 1.00 71.34 C ATOM 222 OE1 GLU A 17 11.519 -9.972 -22.380 1.00 22.32 O ATOM 223 OE2 GLU A 17 11.485 -8.209 -21.066 1.00 11.31 O1- ATOM 0 H GLU A 17 14.302 -10.905 -18.210 1.00 43.40 H new ATOM 0 HA GLU A 17 12.675 -12.817 -19.441 1.00 63.20 H new ATOM 0 HB2 GLU A 17 14.311 -10.475 -20.465 1.00 24.14 H new ATOM 0 HB3 GLU A 17 13.312 -11.439 -21.535 1.00 24.14 H new ATOM 0 HG2 GLU A 17 11.411 -10.930 -19.784 1.00 61.42 H new ATOM 0 HG3 GLU A 17 12.466 -9.622 -19.286 1.00 61.42 H new ATOM 230 N LYS A 18 15.859 -13.229 -19.934 1.00 12.21 N ATOM 231 CA LYS A 18 16.866 -14.115 -20.507 1.00 71.42 C ATOM 232 C LYS A 18 16.765 -15.513 -19.905 1.00 4.10 C ATOM 233 O LYS A 18 16.708 -16.507 -20.628 1.00 51.31 O ATOM 234 CB LYS A 18 18.267 -13.547 -20.272 1.00 32.31 C ATOM 235 CG LYS A 18 19.334 -14.183 -21.145 1.00 22.24 C ATOM 236 CD LYS A 18 20.505 -13.241 -21.370 1.00 11.44 C ATOM 237 CE LYS A 18 21.335 -13.660 -22.575 1.00 44.22 C ATOM 238 NZ LYS A 18 21.175 -12.715 -23.714 1.00 21.23 N1+ ATOM 0 H LYS A 18 16.224 -12.558 -19.258 1.00 12.21 H new ATOM 0 HA LYS A 18 16.685 -14.186 -21.579 1.00 71.42 H new ATOM 0 HB2 LYS A 18 18.250 -12.473 -20.457 1.00 32.31 H new ATOM 0 HB3 LYS A 18 18.536 -13.686 -19.225 1.00 32.31 H new ATOM 0 HG2 LYS A 18 19.689 -15.101 -20.677 1.00 22.24 H new ATOM 0 HG3 LYS A 18 18.901 -14.462 -22.105 1.00 22.24 H new ATOM 0 HD2 LYS A 18 20.134 -12.227 -21.517 1.00 11.44 H new ATOM 0 HD3 LYS A 18 21.135 -13.224 -20.481 1.00 11.44 H new ATOM 0 HE2 LYS A 18 22.386 -13.712 -22.291 1.00 44.22 H new ATOM 0 HE3 LYS A 18 21.039 -14.661 -22.889 1.00 44.22 H new ATOM 0 HZ1 LYS A 18 21.756 -13.035 -24.515 1.00 21.23 H new ATOM 0 HZ2 LYS A 18 20.176 -12.684 -24.002 1.00 21.23 H new ATOM 0 HZ3 LYS A 18 21.481 -11.765 -23.422 1.00 21.23 H new ATOM 252 N ILE A 19 16.743 -15.581 -18.578 1.00 24.14 N ATOM 253 CA ILE A 19 16.648 -16.858 -17.880 1.00 33.42 C ATOM 254 C ILE A 19 15.478 -17.684 -18.405 1.00 2.13 C ATOM 255 O ILE A 19 14.412 -17.148 -18.704 1.00 55.52 O ATOM 256 CB ILE A 19 16.481 -16.658 -16.363 1.00 70.33 C ATOM 257 CG1 ILE A 19 17.657 -15.858 -15.798 1.00 4.21 C ATOM 258 CG2 ILE A 19 16.363 -18.003 -15.662 1.00 71.44 C ATOM 259 CD1 ILE A 19 17.240 -14.755 -14.851 1.00 30.14 C ATOM 0 H ILE A 19 16.790 -14.767 -17.965 1.00 24.14 H new ATOM 0 HA ILE A 19 17.580 -17.392 -18.067 1.00 33.42 H new ATOM 0 HB ILE A 19 15.565 -16.095 -16.185 1.00 70.33 H new ATOM 0 HG12 ILE A 19 18.331 -16.538 -15.276 1.00 4.21 H new ATOM 0 HG13 ILE A 19 18.220 -15.423 -16.624 1.00 4.21 H new ATOM 0 HG21 ILE A 19 16.245 -17.845 -14.590 1.00 71.44 H new ATOM 0 HG22 ILE A 19 15.496 -18.539 -16.047 1.00 71.44 H new ATOM 0 HG23 ILE A 19 17.263 -18.589 -15.846 1.00 71.44 H new ATOM 0 HD11 ILE A 19 18.125 -14.231 -14.490 1.00 30.14 H new ATOM 0 HD12 ILE A 19 16.590 -14.053 -15.374 1.00 30.14 H new ATOM 0 HD13 ILE A 19 16.703 -15.185 -14.005 1.00 30.14 H new ATOM 271 N ARG A 20 15.687 -18.992 -18.511 1.00 43.12 N ATOM 272 CA ARG A 20 14.650 -19.893 -18.999 1.00 41.30 C ATOM 273 C ARG A 20 14.057 -20.710 -17.854 1.00 33.52 C ATOM 274 O ARG A 20 14.692 -20.896 -16.816 1.00 1.12 O ATOM 275 CB ARG A 20 15.219 -20.831 -20.066 1.00 62.53 C ATOM 276 CG ARG A 20 15.984 -20.110 -21.164 1.00 1.00 C ATOM 277 CD ARG A 20 16.608 -21.092 -22.144 1.00 24.44 C ATOM 278 NE ARG A 20 17.501 -22.037 -21.477 1.00 12.22 N ATOM 279 CZ ARG A 20 18.746 -21.744 -21.116 1.00 54.31 C ATOM 280 NH1 ARG A 20 19.242 -20.538 -21.355 1.00 11.24 N1+ ATOM 281 NH2 ARG A 20 19.495 -22.658 -20.515 1.00 23.33 N ATOM 0 H ARG A 20 16.564 -19.451 -18.266 1.00 43.12 H new ATOM 0 HA ARG A 20 13.858 -19.289 -19.441 1.00 41.30 H new ATOM 0 HB2 ARG A 20 15.881 -21.553 -19.588 1.00 62.53 H new ATOM 0 HB3 ARG A 20 14.402 -21.396 -20.515 1.00 62.53 H new ATOM 0 HG2 ARG A 20 15.311 -19.439 -21.698 1.00 1.00 H new ATOM 0 HG3 ARG A 20 16.764 -19.492 -20.720 1.00 1.00 H new ATOM 0 HD2 ARG A 20 15.820 -21.640 -22.660 1.00 24.44 H new ATOM 0 HD3 ARG A 20 17.164 -20.542 -22.904 1.00 24.44 H new ATOM 0 HE ARG A 20 17.149 -22.973 -21.277 1.00 12.22 H new ATOM 0 HH11 ARG A 20 18.668 -19.833 -21.817 1.00 11.24 H new ATOM 0 HH12 ARG A 20 20.198 -20.315 -21.077 1.00 11.24 H new ATOM 0 HH21 ARG A 20 19.116 -23.587 -20.330 1.00 23.33 H new ATOM 0 HH22 ARG A 20 20.450 -22.433 -20.238 1.00 23.33 H new ATOM 295 N LEU A 21 12.835 -21.193 -18.050 1.00 71.34 N ATOM 296 CA LEU A 21 12.154 -21.989 -17.034 1.00 32.34 C ATOM 297 C LEU A 21 12.792 -23.368 -16.906 1.00 71.31 C ATOM 298 O LEU A 21 13.029 -23.853 -15.799 1.00 72.13 O ATOM 299 CB LEU A 21 10.670 -22.129 -17.378 1.00 4.13 C ATOM 300 CG LEU A 21 9.932 -20.832 -17.707 1.00 53.50 C ATOM 301 CD1 LEU A 21 8.950 -21.053 -18.848 1.00 71.14 C ATOM 302 CD2 LEU A 21 9.212 -20.301 -16.477 1.00 60.05 C ATOM 0 H LEU A 21 12.295 -21.047 -18.903 1.00 71.34 H new ATOM 0 HA LEU A 21 12.251 -21.475 -16.078 1.00 32.34 H new ATOM 0 HB2 LEU A 21 10.577 -22.802 -18.230 1.00 4.13 H new ATOM 0 HB3 LEU A 21 10.166 -22.607 -16.538 1.00 4.13 H new ATOM 0 HG LEU A 21 10.664 -20.089 -18.023 1.00 53.50 H new ATOM 0 HD11 LEU A 21 8.433 -20.119 -19.069 1.00 71.14 H new ATOM 0 HD12 LEU A 21 9.490 -21.387 -19.734 1.00 71.14 H new ATOM 0 HD13 LEU A 21 8.222 -21.811 -18.560 1.00 71.14 H new ATOM 0 HD21 LEU A 21 8.692 -19.377 -16.730 1.00 60.05 H new ATOM 0 HD22 LEU A 21 8.490 -21.040 -16.131 1.00 60.05 H new ATOM 0 HD23 LEU A 21 9.937 -20.104 -15.687 1.00 60.05 H new ATOM 314 N ARG A 22 13.070 -23.994 -18.044 1.00 1.41 N ATOM 315 CA ARG A 22 13.682 -25.317 -18.060 1.00 42.02 C ATOM 316 C ARG A 22 14.982 -25.306 -18.857 1.00 12.35 C ATOM 317 O ARG A 22 15.220 -24.433 -19.693 1.00 61.03 O ATOM 318 CB ARG A 22 12.715 -26.342 -18.654 1.00 12.41 C ATOM 319 CG ARG A 22 11.753 -26.934 -17.637 1.00 52.25 C ATOM 320 CD ARG A 22 10.548 -27.569 -18.313 1.00 0.54 C ATOM 321 NE ARG A 22 9.290 -27.118 -17.725 1.00 73.12 N ATOM 322 CZ ARG A 22 8.106 -27.279 -18.308 1.00 23.32 C ATOM 323 NH1 ARG A 22 8.021 -27.878 -19.488 1.00 73.41 N1+ ATOM 324 NH2 ARG A 22 7.006 -26.842 -17.709 1.00 12.11 N ATOM 0 H ARG A 22 12.881 -23.606 -18.968 1.00 1.41 H new ATOM 0 HA ARG A 22 13.910 -25.596 -17.031 1.00 42.02 H new ATOM 0 HB2 ARG A 22 12.142 -25.868 -19.451 1.00 12.41 H new ATOM 0 HB3 ARG A 22 13.289 -27.148 -19.110 1.00 12.41 H new ATOM 0 HG2 ARG A 22 12.271 -27.682 -17.037 1.00 52.25 H new ATOM 0 HG3 ARG A 22 11.419 -26.153 -16.954 1.00 52.25 H new ATOM 0 HD2 ARG A 22 10.559 -27.327 -19.376 1.00 0.54 H new ATOM 0 HD3 ARG A 22 10.617 -28.654 -18.233 1.00 0.54 H new ATOM 0 HE ARG A 22 9.321 -26.654 -16.817 1.00 73.12 H new ATOM 0 HH11 ARG A 22 8.865 -28.216 -19.950 1.00 73.41 H new ATOM 0 HH12 ARG A 22 7.112 -28.000 -19.933 1.00 73.41 H new ATOM 0 HH21 ARG A 22 7.068 -26.382 -16.801 1.00 12.11 H new ATOM 0 HH22 ARG A 22 6.098 -26.966 -18.157 1.00 12.11 H new ATOM 338 N PRO A 23 15.846 -26.298 -18.594 1.00 2.53 N ATOM 339 CA PRO A 23 17.137 -26.425 -19.278 1.00 25.32 C ATOM 340 C PRO A 23 16.982 -26.816 -20.743 1.00 22.41 C ATOM 341 O PRO A 23 17.732 -26.352 -21.602 1.00 53.42 O ATOM 342 CB PRO A 23 17.843 -27.538 -18.499 1.00 42.53 C ATOM 343 CG PRO A 23 16.738 -28.344 -17.907 1.00 21.33 C ATOM 344 CD PRO A 23 15.629 -27.373 -17.612 1.00 74.22 C ATOM 0 HA PRO A 23 17.684 -25.483 -19.293 1.00 25.32 H new ATOM 0 HB2 PRO A 23 18.469 -28.144 -19.154 1.00 42.53 H new ATOM 0 HB3 PRO A 23 18.493 -27.129 -17.726 1.00 42.53 H new ATOM 0 HG2 PRO A 23 16.405 -29.118 -18.599 1.00 21.33 H new ATOM 0 HG3 PRO A 23 17.067 -28.849 -16.999 1.00 21.33 H new ATOM 0 HD2 PRO A 23 14.649 -27.834 -17.731 1.00 74.22 H new ATOM 0 HD3 PRO A 23 15.683 -27.000 -16.589 1.00 74.22 H new ATOM 352 N GLY A 24 16.003 -27.671 -21.023 1.00 3.14 N ATOM 353 CA GLY A 24 15.768 -28.109 -22.386 1.00 72.43 C ATOM 354 C GLY A 24 14.453 -27.597 -22.940 1.00 30.14 C ATOM 355 O GLY A 24 13.822 -28.255 -23.766 1.00 55.21 O ATOM 0 H GLY A 24 15.369 -28.068 -20.330 1.00 3.14 H new ATOM 0 HA2 GLY A 24 16.585 -27.765 -23.021 1.00 72.43 H new ATOM 0 HA3 GLY A 24 15.774 -29.198 -22.421 1.00 72.43 H new ATOM 359 N GLY A 25 14.039 -26.419 -22.484 1.00 54.45 N ATOM 360 CA GLY A 25 12.791 -25.840 -22.949 1.00 12.00 C ATOM 361 C GLY A 25 12.980 -24.962 -24.170 1.00 11.23 C ATOM 362 O GLY A 25 14.097 -24.802 -24.664 1.00 40.13 O ATOM 0 H GLY A 25 14.545 -25.855 -21.801 1.00 54.45 H new ATOM 0 HA2 GLY A 25 12.089 -26.639 -23.185 1.00 12.00 H new ATOM 0 HA3 GLY A 25 12.346 -25.251 -22.147 1.00 12.00 H new ATOM 366 N LYS A 26 11.885 -24.392 -24.662 1.00 75.42 N ATOM 367 CA LYS A 26 11.933 -23.525 -25.833 1.00 53.20 C ATOM 368 C LYS A 26 11.297 -22.172 -25.536 1.00 52.35 C ATOM 369 O LYS A 26 10.803 -21.493 -26.437 1.00 5.31 O ATOM 370 CB LYS A 26 11.219 -24.189 -27.013 1.00 30.21 C ATOM 371 CG LYS A 26 11.917 -23.973 -28.346 1.00 42.35 C ATOM 372 CD LYS A 26 13.259 -24.683 -28.392 1.00 20.32 C ATOM 373 CE LYS A 26 14.273 -23.901 -29.216 1.00 43.44 C ATOM 374 NZ LYS A 26 14.027 -24.044 -30.677 1.00 32.03 N1+ ATOM 0 H LYS A 26 10.953 -24.515 -24.267 1.00 75.42 H new ATOM 0 HA LYS A 26 12.979 -23.364 -26.092 1.00 53.20 H new ATOM 0 HB2 LYS A 26 11.140 -25.259 -26.823 1.00 30.21 H new ATOM 0 HB3 LYS A 26 10.203 -23.800 -27.077 1.00 30.21 H new ATOM 0 HG2 LYS A 26 11.283 -24.338 -29.154 1.00 42.35 H new ATOM 0 HG3 LYS A 26 12.063 -22.906 -28.513 1.00 42.35 H new ATOM 0 HD2 LYS A 26 13.637 -24.816 -27.378 1.00 20.32 H new ATOM 0 HD3 LYS A 26 13.131 -25.678 -28.818 1.00 20.32 H new ATOM 0 HE2 LYS A 26 14.229 -22.847 -28.942 1.00 43.44 H new ATOM 0 HE3 LYS A 26 15.279 -24.250 -28.981 1.00 43.44 H new ATOM 0 HZ1 LYS A 26 14.738 -23.497 -31.204 1.00 32.03 H new ATOM 0 HZ2 LYS A 26 14.094 -25.047 -30.944 1.00 32.03 H new ATOM 0 HZ3 LYS A 26 13.077 -23.688 -30.906 1.00 32.03 H new ATOM 388 N LYS A 27 11.310 -21.783 -24.266 1.00 25.51 N ATOM 389 CA LYS A 27 10.736 -20.509 -23.848 1.00 25.42 C ATOM 390 C LYS A 27 11.510 -19.924 -22.670 1.00 21.21 C ATOM 391 O LYS A 27 12.050 -20.660 -21.844 1.00 54.13 O ATOM 392 CB LYS A 27 9.266 -20.689 -23.467 1.00 32.21 C ATOM 393 CG LYS A 27 8.301 -20.021 -24.433 1.00 4.12 C ATOM 394 CD LYS A 27 7.220 -19.249 -23.697 1.00 22.31 C ATOM 395 CE LYS A 27 5.908 -19.256 -24.466 1.00 24.04 C ATOM 396 NZ LYS A 27 5.817 -18.114 -25.417 1.00 13.55 N1+ ATOM 0 H LYS A 27 11.712 -22.333 -23.507 1.00 25.51 H new ATOM 0 HA LYS A 27 10.805 -19.815 -24.686 1.00 25.42 H new ATOM 0 HB2 LYS A 27 9.040 -21.754 -23.419 1.00 32.21 H new ATOM 0 HB3 LYS A 27 9.106 -20.284 -22.468 1.00 32.21 H new ATOM 0 HG2 LYS A 27 8.850 -19.345 -25.088 1.00 4.12 H new ATOM 0 HG3 LYS A 27 7.840 -20.777 -25.069 1.00 4.12 H new ATOM 0 HD2 LYS A 27 7.067 -19.686 -22.710 1.00 22.31 H new ATOM 0 HD3 LYS A 27 7.547 -18.221 -23.543 1.00 22.31 H new ATOM 0 HE2 LYS A 27 5.813 -20.193 -25.014 1.00 24.04 H new ATOM 0 HE3 LYS A 27 5.075 -19.211 -23.764 1.00 24.04 H new ATOM 0 HZ1 LYS A 27 4.909 -18.154 -25.922 1.00 13.55 H new ATOM 0 HZ2 LYS A 27 5.882 -17.219 -24.892 1.00 13.55 H new ATOM 0 HZ3 LYS A 27 6.597 -18.170 -26.103 1.00 13.55 H new ATOM 410 N GLN A 28 11.558 -18.597 -22.599 1.00 14.51 N ATOM 411 CA GLN A 28 12.264 -17.916 -21.521 1.00 30.45 C ATOM 412 C GLN A 28 11.293 -17.459 -20.437 1.00 21.05 C ATOM 413 O GLN A 28 10.107 -17.786 -20.475 1.00 43.32 O ATOM 414 CB GLN A 28 13.036 -16.714 -22.069 1.00 13.55 C ATOM 415 CG GLN A 28 13.810 -17.016 -23.343 1.00 45.33 C ATOM 416 CD GLN A 28 12.950 -16.912 -24.587 1.00 4.22 C ATOM 417 OE1 GLN A 28 12.574 -17.922 -25.182 1.00 10.31 O ATOM 418 NE2 GLN A 28 12.634 -15.687 -24.987 1.00 35.52 N ATOM 0 H GLN A 28 11.117 -17.973 -23.275 1.00 14.51 H new ATOM 0 HA GLN A 28 12.968 -18.621 -21.079 1.00 30.45 H new ATOM 0 HB2 GLN A 28 12.336 -15.901 -22.263 1.00 13.55 H new ATOM 0 HB3 GLN A 28 13.731 -16.361 -21.307 1.00 13.55 H new ATOM 0 HG2 GLN A 28 14.648 -16.324 -23.427 1.00 45.33 H new ATOM 0 HG3 GLN A 28 14.230 -18.020 -23.279 1.00 45.33 H new ATOM 0 HE21 GLN A 28 12.967 -14.878 -24.463 1.00 35.52 H new ATOM 0 HE22 GLN A 28 12.058 -15.555 -25.818 1.00 35.52 H new ATOM 427 N TYR A 29 11.805 -16.703 -19.473 1.00 43.53 N ATOM 428 CA TYR A 29 10.983 -16.204 -18.376 1.00 41.50 C ATOM 429 C TYR A 29 10.284 -14.906 -18.765 1.00 23.25 C ATOM 430 O TYR A 29 10.796 -14.128 -19.571 1.00 22.02 O ATOM 431 CB TYR A 29 11.841 -15.982 -17.129 1.00 33.30 C ATOM 432 CG TYR A 29 11.770 -17.118 -16.134 1.00 54.04 C ATOM 433 CD1 TYR A 29 10.675 -17.260 -15.291 1.00 62.14 C ATOM 434 CD2 TYR A 29 12.798 -18.047 -16.036 1.00 53.15 C ATOM 435 CE1 TYR A 29 10.605 -18.296 -14.378 1.00 15.14 C ATOM 436 CE2 TYR A 29 12.736 -19.087 -15.128 1.00 42.20 C ATOM 437 CZ TYR A 29 11.638 -19.207 -14.302 1.00 40.11 C ATOM 438 OH TYR A 29 11.574 -20.241 -13.395 1.00 13.42 O ATOM 0 H TYR A 29 12.785 -16.422 -19.428 1.00 43.53 H new ATOM 0 HA TYR A 29 10.222 -16.952 -18.156 1.00 41.50 H new ATOM 0 HB2 TYR A 29 12.878 -15.841 -17.433 1.00 33.30 H new ATOM 0 HB3 TYR A 29 11.524 -15.061 -16.639 1.00 33.30 H new ATOM 0 HD1 TYR A 29 9.864 -16.549 -15.350 1.00 62.14 H new ATOM 0 HD2 TYR A 29 13.660 -17.955 -16.680 1.00 53.15 H new ATOM 0 HE1 TYR A 29 9.747 -18.391 -13.729 1.00 15.14 H new ATOM 0 HE2 TYR A 29 13.543 -19.802 -15.066 1.00 42.20 H new ATOM 0 HH TYR A 29 12.266 -20.903 -13.604 1.00 13.42 H new ATOM 448 N LYS A 30 9.110 -14.676 -18.187 1.00 5.14 N ATOM 449 CA LYS A 30 8.339 -13.472 -18.470 1.00 21.44 C ATOM 450 C LYS A 30 7.536 -13.041 -17.247 1.00 54.40 C ATOM 451 O LYS A 30 7.413 -13.790 -16.277 1.00 70.11 O ATOM 452 CB LYS A 30 7.400 -13.709 -19.654 1.00 73.34 C ATOM 453 CG LYS A 30 7.710 -12.839 -20.860 1.00 70.14 C ATOM 454 CD LYS A 30 7.380 -13.552 -22.161 1.00 63.33 C ATOM 455 CE LYS A 30 8.552 -14.389 -22.650 1.00 31.20 C ATOM 456 NZ LYS A 30 9.050 -13.926 -23.974 1.00 15.12 N1+ ATOM 0 H LYS A 30 8.671 -15.309 -17.518 1.00 5.14 H new ATOM 0 HA LYS A 30 9.037 -12.674 -18.724 1.00 21.44 H new ATOM 0 HB2 LYS A 30 7.457 -14.757 -19.948 1.00 73.34 H new ATOM 0 HB3 LYS A 30 6.374 -13.523 -19.336 1.00 73.34 H new ATOM 0 HG2 LYS A 30 7.140 -11.912 -20.797 1.00 70.14 H new ATOM 0 HG3 LYS A 30 8.765 -12.566 -20.851 1.00 70.14 H new ATOM 0 HD2 LYS A 30 6.510 -14.192 -22.016 1.00 63.33 H new ATOM 0 HD3 LYS A 30 7.113 -12.818 -22.922 1.00 63.33 H new ATOM 0 HE2 LYS A 30 9.361 -14.342 -21.921 1.00 31.20 H new ATOM 0 HE3 LYS A 30 8.248 -15.433 -22.721 1.00 31.20 H new ATOM 0 HZ1 LYS A 30 9.848 -14.522 -24.272 1.00 15.12 H new ATOM 0 HZ2 LYS A 30 8.286 -13.995 -24.676 1.00 15.12 H new ATOM 0 HZ3 LYS A 30 9.364 -12.937 -23.900 1.00 15.12 H new ATOM 470 N LEU A 31 6.989 -11.832 -17.301 1.00 54.02 N ATOM 471 CA LEU A 31 6.194 -11.302 -16.198 1.00 15.23 C ATOM 472 C LEU A 31 5.073 -12.265 -15.823 1.00 64.23 C ATOM 473 O LEU A 31 4.630 -12.302 -14.674 1.00 1.52 O ATOM 474 CB LEU A 31 5.607 -9.940 -16.575 1.00 32.12 C ATOM 475 CG LEU A 31 5.605 -8.881 -15.472 1.00 2.21 C ATOM 476 CD1 LEU A 31 6.999 -8.301 -15.288 1.00 2.31 C ATOM 477 CD2 LEU A 31 4.605 -7.780 -15.791 1.00 32.14 C ATOM 0 H LEU A 31 7.081 -11.200 -18.096 1.00 54.02 H new ATOM 0 HA LEU A 31 6.849 -11.182 -15.335 1.00 15.23 H new ATOM 0 HB2 LEU A 31 6.166 -9.549 -17.425 1.00 32.12 H new ATOM 0 HB3 LEU A 31 4.580 -10.089 -16.909 1.00 32.12 H new ATOM 0 HG LEU A 31 5.305 -9.357 -14.538 1.00 2.21 H new ATOM 0 HD11 LEU A 31 6.979 -7.549 -14.499 1.00 2.31 H new ATOM 0 HD12 LEU A 31 7.691 -9.097 -15.013 1.00 2.31 H new ATOM 0 HD13 LEU A 31 7.327 -7.841 -16.220 1.00 2.31 H new ATOM 0 HD21 LEU A 31 4.617 -7.035 -14.995 1.00 32.14 H new ATOM 0 HD22 LEU A 31 4.874 -7.306 -16.735 1.00 32.14 H new ATOM 0 HD23 LEU A 31 3.606 -8.208 -15.872 1.00 32.14 H new ATOM 489 N LYS A 32 4.619 -13.045 -16.798 1.00 41.31 N ATOM 490 CA LYS A 32 3.552 -14.013 -16.570 1.00 11.00 C ATOM 491 C LYS A 32 3.873 -14.905 -15.376 1.00 72.05 C ATOM 492 O LYS A 32 2.974 -15.347 -14.658 1.00 35.21 O ATOM 493 CB LYS A 32 3.338 -14.871 -17.819 1.00 44.00 C ATOM 494 CG LYS A 32 2.080 -14.516 -18.593 1.00 10.11 C ATOM 495 CD LYS A 32 2.405 -13.751 -19.865 1.00 31.44 C ATOM 496 CE LYS A 32 1.227 -12.905 -20.323 1.00 45.31 C ATOM 497 NZ LYS A 32 0.867 -13.178 -21.742 1.00 0.21 N1+ ATOM 0 H LYS A 32 4.973 -13.026 -17.754 1.00 41.31 H new ATOM 0 HA LYS A 32 2.636 -13.463 -16.354 1.00 11.00 H new ATOM 0 HB2 LYS A 32 4.201 -14.763 -18.476 1.00 44.00 H new ATOM 0 HB3 LYS A 32 3.290 -15.920 -17.525 1.00 44.00 H new ATOM 0 HG2 LYS A 32 1.537 -15.427 -18.844 1.00 10.11 H new ATOM 0 HG3 LYS A 32 1.422 -13.916 -17.964 1.00 10.11 H new ATOM 0 HD2 LYS A 32 3.270 -13.110 -19.694 1.00 31.44 H new ATOM 0 HD3 LYS A 32 2.679 -14.453 -20.653 1.00 31.44 H new ATOM 0 HE2 LYS A 32 0.366 -13.105 -19.685 1.00 45.31 H new ATOM 0 HE3 LYS A 32 1.471 -11.849 -20.207 1.00 45.31 H new ATOM 0 HZ1 LYS A 32 0.060 -12.582 -22.016 1.00 0.21 H new ATOM 0 HZ2 LYS A 32 1.680 -12.963 -22.354 1.00 0.21 H new ATOM 0 HZ3 LYS A 32 0.609 -14.180 -21.848 1.00 0.21 H new ATOM 511 N HIS A 33 5.159 -15.167 -15.166 1.00 51.21 N ATOM 512 CA HIS A 33 5.599 -16.006 -14.056 1.00 54.41 C ATOM 513 C HIS A 33 5.713 -15.190 -12.772 1.00 30.45 C ATOM 514 O HIS A 33 5.478 -15.770 -11.711 1.00 31.33 O ATOM 515 CB HIS A 33 6.943 -16.656 -14.383 1.00 44.33 C ATOM 516 CG HIS A 33 6.978 -17.317 -15.726 1.00 5.03 C ATOM 517 ND1 HIS A 33 7.804 -16.900 -16.749 1.00 64.11 N ATOM 518 CD2 HIS A 33 6.285 -18.373 -16.213 1.00 73.31 C ATOM 519 CE1 HIS A 33 7.615 -17.669 -17.806 1.00 10.34 C ATOM 520 NE2 HIS A 33 6.698 -18.572 -17.506 1.00 20.24 N ATOM 0 H HIS A 33 5.915 -14.810 -15.750 1.00 51.21 H new ATOM 0 HA HIS A 33 4.854 -16.787 -13.904 1.00 54.41 H new ATOM 0 HB2 HIS A 33 7.724 -15.897 -14.340 1.00 44.33 H new ATOM 0 HB3 HIS A 33 7.175 -17.396 -13.617 1.00 44.33 H new ATOM 0 HD2 HIS A 33 5.544 -18.952 -15.682 1.00 73.31 H new ATOM 0 HE1 HIS A 33 8.123 -17.576 -18.754 1.00 10.34 H new ATOM 0 HE2 HIS A 33 6.353 -19.299 -18.134 1.00 20.24 H new ATOM 528 N ILE A 34 6.055 -13.907 -12.837 1.00 43.15 N ATOM 529 CA ILE A 34 6.176 -13.088 -11.637 1.00 45.20 C ATOM 530 C ILE A 34 4.806 -12.765 -11.053 1.00 60.55 C ATOM 531 O ILE A 34 4.632 -12.721 -9.834 1.00 64.41 O ATOM 532 CB ILE A 34 6.923 -11.772 -11.926 1.00 1.41 C ATOM 533 CG1 ILE A 34 8.226 -12.055 -12.676 1.00 0.02 C ATOM 534 CG2 ILE A 34 7.202 -11.027 -10.630 1.00 74.33 C ATOM 535 CD1 ILE A 34 8.981 -10.803 -13.067 1.00 50.31 C ATOM 0 H ILE A 34 6.253 -13.413 -13.707 1.00 43.15 H new ATOM 0 HA ILE A 34 6.749 -13.669 -10.914 1.00 45.20 H new ATOM 0 HB ILE A 34 6.293 -11.143 -12.555 1.00 1.41 H new ATOM 0 HG12 ILE A 34 8.868 -12.677 -12.052 1.00 0.02 H new ATOM 0 HG13 ILE A 34 8.001 -12.630 -13.574 1.00 0.02 H new ATOM 0 HG21 ILE A 34 7.730 -10.099 -10.850 1.00 74.33 H new ATOM 0 HG22 ILE A 34 6.260 -10.799 -10.132 1.00 74.33 H new ATOM 0 HG23 ILE A 34 7.816 -11.648 -9.978 1.00 74.33 H new ATOM 0 HD11 ILE A 34 9.894 -11.079 -13.595 1.00 50.31 H new ATOM 0 HD12 ILE A 34 8.357 -10.190 -13.717 1.00 50.31 H new ATOM 0 HD13 ILE A 34 9.237 -10.238 -12.171 1.00 50.31 H new ATOM 547 N VAL A 35 3.832 -12.539 -11.929 1.00 32.34 N ATOM 548 CA VAL A 35 2.476 -12.221 -11.500 1.00 12.40 C ATOM 549 C VAL A 35 1.754 -13.465 -10.991 1.00 1.25 C ATOM 550 O VAL A 35 1.046 -13.416 -9.987 1.00 55.44 O ATOM 551 CB VAL A 35 1.656 -11.599 -12.646 1.00 71.21 C ATOM 552 CG1 VAL A 35 0.237 -11.299 -12.187 1.00 61.44 C ATOM 553 CG2 VAL A 35 2.335 -10.340 -13.164 1.00 60.52 C ATOM 0 H VAL A 35 3.957 -12.570 -12.941 1.00 32.34 H new ATOM 0 HA VAL A 35 2.562 -11.497 -10.690 1.00 12.40 H new ATOM 0 HB VAL A 35 1.603 -12.318 -13.463 1.00 71.21 H new ATOM 0 HG11 VAL A 35 -0.327 -10.860 -13.010 1.00 61.44 H new ATOM 0 HG12 VAL A 35 -0.246 -12.223 -11.869 1.00 61.44 H new ATOM 0 HG13 VAL A 35 0.265 -10.598 -11.352 1.00 61.44 H new ATOM 0 HG21 VAL A 35 1.742 -9.914 -13.973 1.00 60.52 H new ATOM 0 HG22 VAL A 35 2.421 -9.614 -12.356 1.00 60.52 H new ATOM 0 HG23 VAL A 35 3.329 -10.589 -13.535 1.00 60.52 H new ATOM 563 N TRP A 36 1.942 -14.578 -11.692 1.00 71.34 N ATOM 564 CA TRP A 36 1.309 -15.836 -11.312 1.00 64.44 C ATOM 565 C TRP A 36 1.655 -16.205 -9.873 1.00 71.05 C ATOM 566 O TRP A 36 0.767 -16.424 -9.049 1.00 20.30 O ATOM 567 CB TRP A 36 1.745 -16.956 -12.256 1.00 13.30 C ATOM 568 CG TRP A 36 1.204 -18.300 -11.874 1.00 4.33 C ATOM 569 CD1 TRP A 36 -0.042 -18.790 -12.144 1.00 63.01 C ATOM 570 CD2 TRP A 36 1.892 -19.326 -11.150 1.00 74.04 C ATOM 571 NE1 TRP A 36 -0.170 -20.058 -11.631 1.00 14.13 N ATOM 572 CE2 TRP A 36 1.003 -20.411 -11.017 1.00 33.11 C ATOM 573 CE3 TRP A 36 3.173 -19.435 -10.602 1.00 10.12 C ATOM 574 CZ2 TRP A 36 1.355 -21.586 -10.359 1.00 70.32 C ATOM 575 CZ3 TRP A 36 3.520 -20.602 -9.949 1.00 64.42 C ATOM 576 CH2 TRP A 36 2.615 -21.665 -9.832 1.00 20.01 C ATOM 0 H TRP A 36 2.527 -14.635 -12.526 1.00 71.34 H new ATOM 0 HA TRP A 36 0.229 -15.708 -11.386 1.00 64.44 H new ATOM 0 HB2 TRP A 36 1.419 -16.716 -13.268 1.00 13.30 H new ATOM 0 HB3 TRP A 36 2.834 -17.003 -12.274 1.00 13.30 H new ATOM 0 HD1 TRP A 36 -0.813 -18.259 -12.682 1.00 63.01 H new ATOM 0 HE1 TRP A 36 -1.004 -20.642 -11.697 1.00 14.13 H new ATOM 0 HE3 TRP A 36 3.879 -18.622 -10.687 1.00 10.12 H new ATOM 0 HZ2 TRP A 36 0.658 -22.406 -10.268 1.00 70.32 H new ATOM 0 HZ3 TRP A 36 4.507 -20.697 -9.521 1.00 64.42 H new ATOM 0 HH2 TRP A 36 2.918 -22.564 -9.316 1.00 20.01 H new ATOM 587 N ALA A 37 2.949 -16.271 -9.578 1.00 50.22 N ATOM 588 CA ALA A 37 3.411 -16.612 -8.237 1.00 54.01 C ATOM 589 C ALA A 37 2.809 -15.675 -7.195 1.00 33.41 C ATOM 590 O ALA A 37 2.382 -16.111 -6.127 1.00 70.11 O ATOM 591 CB ALA A 37 4.929 -16.568 -8.176 1.00 23.32 C ATOM 0 H ALA A 37 3.696 -16.093 -10.249 1.00 50.22 H new ATOM 0 HA ALA A 37 3.079 -17.625 -8.011 1.00 54.01 H new ATOM 0 HB1 ALA A 37 5.260 -16.824 -7.170 1.00 23.32 H new ATOM 0 HB2 ALA A 37 5.343 -17.283 -8.887 1.00 23.32 H new ATOM 0 HB3 ALA A 37 5.274 -15.565 -8.427 1.00 23.32 H new ATOM 597 N SER A 38 2.780 -14.384 -7.513 1.00 11.52 N ATOM 598 CA SER A 38 2.235 -13.384 -6.602 1.00 2.41 C ATOM 599 C SER A 38 0.836 -13.777 -6.139 1.00 73.04 C ATOM 600 O SER A 38 0.513 -13.681 -4.955 1.00 74.31 O ATOM 601 CB SER A 38 2.195 -12.013 -7.281 1.00 44.24 C ATOM 602 OG SER A 38 0.874 -11.676 -7.669 1.00 32.13 O ATOM 0 H SER A 38 3.128 -14.006 -8.395 1.00 11.52 H new ATOM 0 HA SER A 38 2.885 -13.330 -5.729 1.00 2.41 H new ATOM 0 HB2 SER A 38 2.582 -11.255 -6.600 1.00 44.24 H new ATOM 0 HB3 SER A 38 2.845 -12.018 -8.156 1.00 44.24 H new ATOM 0 HG SER A 38 0.648 -12.143 -8.500 1.00 32.13 H new ATOM 608 N ARG A 39 0.010 -14.219 -7.081 1.00 63.10 N ATOM 609 CA ARG A 39 -1.355 -14.625 -6.771 1.00 42.24 C ATOM 610 C ARG A 39 -1.366 -15.872 -5.891 1.00 0.15 C ATOM 611 O ARG A 39 -2.311 -16.105 -5.139 1.00 73.20 O ATOM 612 CB ARG A 39 -2.136 -14.891 -8.059 1.00 52.42 C ATOM 613 CG ARG A 39 -3.545 -15.411 -7.821 1.00 12.22 C ATOM 614 CD ARG A 39 -4.543 -14.772 -8.774 1.00 24.23 C ATOM 615 NE ARG A 39 -5.893 -15.296 -8.586 1.00 42.32 N ATOM 616 CZ ARG A 39 -6.870 -15.146 -9.473 1.00 42.22 C ATOM 617 NH1 ARG A 39 -6.648 -14.491 -10.604 1.00 41.53 N1+ ATOM 618 NH2 ARG A 39 -8.072 -15.653 -9.229 1.00 15.13 N ATOM 0 H ARG A 39 0.262 -14.305 -8.066 1.00 63.10 H new ATOM 0 HA ARG A 39 -1.833 -13.812 -6.225 1.00 42.24 H new ATOM 0 HB2 ARG A 39 -2.191 -13.969 -8.637 1.00 52.42 H new ATOM 0 HB3 ARG A 39 -1.588 -15.614 -8.663 1.00 52.42 H new ATOM 0 HG2 ARG A 39 -3.561 -16.493 -7.948 1.00 12.22 H new ATOM 0 HG3 ARG A 39 -3.841 -15.206 -6.792 1.00 12.22 H new ATOM 0 HD2 ARG A 39 -4.549 -13.693 -8.622 1.00 24.23 H new ATOM 0 HD3 ARG A 39 -4.226 -14.948 -9.802 1.00 24.23 H new ATOM 0 HE ARG A 39 -6.097 -15.805 -7.726 1.00 42.32 H new ATOM 0 HH11 ARG A 39 -5.725 -14.101 -10.795 1.00 41.53 H new ATOM 0 HH12 ARG A 39 -7.400 -14.377 -11.284 1.00 41.53 H new ATOM 0 HH21 ARG A 39 -8.246 -16.158 -8.360 1.00 15.13 H new ATOM 0 HH22 ARG A 39 -8.822 -15.538 -9.910 1.00 15.13 H new ATOM 632 N GLU A 40 -0.307 -16.670 -5.993 1.00 72.34 N ATOM 633 CA GLU A 40 -0.196 -17.893 -5.207 1.00 3.02 C ATOM 634 C GLU A 40 0.345 -17.597 -3.811 1.00 61.41 C ATOM 635 O GLU A 40 0.038 -18.303 -2.850 1.00 42.55 O ATOM 636 CB GLU A 40 0.715 -18.899 -5.915 1.00 45.23 C ATOM 637 CG GLU A 40 0.373 -20.348 -5.612 1.00 51.33 C ATOM 638 CD GLU A 40 -0.503 -20.975 -6.680 1.00 54.14 C ATOM 639 OE1 GLU A 40 -0.007 -21.186 -7.807 1.00 64.14 O1- ATOM 640 OE2 GLU A 40 -1.685 -21.255 -6.389 1.00 40.24 O ATOM 0 H GLU A 40 0.485 -16.492 -6.611 1.00 72.34 H new ATOM 0 HA GLU A 40 -1.193 -18.322 -5.108 1.00 3.02 H new ATOM 0 HB2 GLU A 40 0.653 -18.737 -6.991 1.00 45.23 H new ATOM 0 HB3 GLU A 40 1.748 -18.709 -5.623 1.00 45.23 H new ATOM 0 HG2 GLU A 40 1.294 -20.923 -5.519 1.00 51.33 H new ATOM 0 HG3 GLU A 40 -0.137 -20.404 -4.650 1.00 51.33 H new ATOM 647 N LEU A 41 1.151 -16.547 -3.707 1.00 21.41 N ATOM 648 CA LEU A 41 1.736 -16.154 -2.428 1.00 14.34 C ATOM 649 C LEU A 41 0.653 -15.729 -1.442 1.00 5.33 C ATOM 650 O LEU A 41 0.623 -16.193 -0.303 1.00 75.45 O ATOM 651 CB LEU A 41 2.734 -15.013 -2.630 1.00 32.03 C ATOM 652 CG LEU A 41 4.184 -15.427 -2.886 1.00 11.43 C ATOM 653 CD1 LEU A 41 5.053 -14.203 -3.130 1.00 1.42 C ATOM 654 CD2 LEU A 41 4.721 -16.240 -1.718 1.00 44.03 C ATOM 0 H LEU A 41 1.415 -15.952 -4.492 1.00 21.41 H new ATOM 0 HA LEU A 41 2.259 -17.017 -2.015 1.00 14.34 H new ATOM 0 HB2 LEU A 41 2.397 -14.406 -3.470 1.00 32.03 H new ATOM 0 HB3 LEU A 41 2.710 -14.375 -1.746 1.00 32.03 H new ATOM 0 HG LEU A 41 4.211 -16.051 -3.779 1.00 11.43 H new ATOM 0 HD11 LEU A 41 6.081 -14.517 -3.310 1.00 1.42 H new ATOM 0 HD12 LEU A 41 4.681 -13.660 -3.999 1.00 1.42 H new ATOM 0 HD13 LEU A 41 5.020 -13.553 -2.255 1.00 1.42 H new ATOM 0 HD21 LEU A 41 5.754 -16.526 -1.918 1.00 44.03 H new ATOM 0 HD22 LEU A 41 4.680 -15.641 -0.808 1.00 44.03 H new ATOM 0 HD23 LEU A 41 4.115 -17.137 -1.590 1.00 44.03 H new ATOM 666 N GLU A 42 -0.235 -14.847 -1.890 1.00 20.31 N ATOM 667 CA GLU A 42 -1.320 -14.361 -1.046 1.00 53.54 C ATOM 668 C GLU A 42 -2.141 -15.522 -0.492 1.00 64.00 C ATOM 669 O GLU A 42 -2.756 -15.412 0.568 1.00 72.22 O ATOM 670 CB GLU A 42 -2.225 -13.414 -1.836 1.00 52.45 C ATOM 671 CG GLU A 42 -2.023 -11.949 -1.490 1.00 33.22 C ATOM 672 CD GLU A 42 -3.314 -11.259 -1.093 1.00 72.23 C ATOM 673 OE1 GLU A 42 -3.752 -11.439 0.063 1.00 3.21 O1- ATOM 674 OE2 GLU A 42 -3.886 -10.539 -1.938 1.00 52.12 O ATOM 0 H GLU A 42 -0.224 -14.455 -2.832 1.00 20.31 H new ATOM 0 HA GLU A 42 -0.880 -13.818 -0.209 1.00 53.54 H new ATOM 0 HB2 GLU A 42 -2.043 -13.555 -2.901 1.00 52.45 H new ATOM 0 HB3 GLU A 42 -3.265 -13.682 -1.652 1.00 52.45 H new ATOM 0 HG2 GLU A 42 -1.306 -11.868 -0.673 1.00 33.22 H new ATOM 0 HG3 GLU A 42 -1.589 -11.434 -2.347 1.00 33.22 H new ATOM 681 N ARG A 43 -2.144 -16.636 -1.218 1.00 60.10 N ATOM 682 CA ARG A 43 -2.889 -17.817 -0.802 1.00 60.23 C ATOM 683 C ARG A 43 -2.217 -18.491 0.392 1.00 51.14 C ATOM 684 O ARG A 43 -2.879 -19.132 1.209 1.00 1.02 O ATOM 685 CB ARG A 43 -3.006 -18.808 -1.961 1.00 43.34 C ATOM 686 CG ARG A 43 -4.308 -19.592 -1.964 1.00 64.33 C ATOM 687 CD ARG A 43 -5.359 -18.924 -2.837 1.00 11.12 C ATOM 688 NE ARG A 43 -5.879 -19.830 -3.857 1.00 73.01 N ATOM 689 CZ ARG A 43 -6.692 -19.446 -4.835 1.00 13.30 C ATOM 690 NH1 ARG A 43 -7.075 -18.179 -4.925 1.00 43.53 N1+ ATOM 691 NH2 ARG A 43 -7.124 -20.329 -5.726 1.00 5.35 N ATOM 0 H ARG A 43 -1.638 -16.744 -2.097 1.00 60.10 H new ATOM 0 HA ARG A 43 -3.888 -17.499 -0.504 1.00 60.23 H new ATOM 0 HB2 ARG A 43 -2.917 -18.265 -2.902 1.00 43.34 H new ATOM 0 HB3 ARG A 43 -2.171 -19.507 -1.916 1.00 43.34 H new ATOM 0 HG2 ARG A 43 -4.124 -20.604 -2.325 1.00 64.33 H new ATOM 0 HG3 ARG A 43 -4.683 -19.680 -0.944 1.00 64.33 H new ATOM 0 HD2 ARG A 43 -6.180 -18.573 -2.212 1.00 11.12 H new ATOM 0 HD3 ARG A 43 -4.927 -18.047 -3.318 1.00 11.12 H new ATOM 0 HE ARG A 43 -5.603 -20.811 -3.817 1.00 73.01 H new ATOM 0 HH11 ARG A 43 -6.745 -17.497 -4.242 1.00 43.53 H new ATOM 0 HH12 ARG A 43 -7.699 -17.887 -5.677 1.00 43.53 H new ATOM 0 HH21 ARG A 43 -6.832 -21.304 -5.661 1.00 5.35 H new ATOM 0 HH22 ARG A 43 -7.748 -20.033 -6.476 1.00 5.35 H new ATOM 705 N PHE A 44 -0.901 -18.341 0.486 1.00 3.33 N ATOM 706 CA PHE A 44 -0.138 -18.936 1.578 1.00 53.54 C ATOM 707 C PHE A 44 0.079 -17.927 2.701 1.00 61.12 C ATOM 708 O PHE A 44 1.042 -18.027 3.461 1.00 33.00 O ATOM 709 CB PHE A 44 1.209 -19.448 1.067 1.00 24.54 C ATOM 710 CG PHE A 44 1.089 -20.448 -0.047 1.00 52.32 C ATOM 711 CD1 PHE A 44 0.404 -21.637 0.143 1.00 3.14 C ATOM 712 CD2 PHE A 44 1.659 -20.198 -1.285 1.00 72.40 C ATOM 713 CE1 PHE A 44 0.291 -22.560 -0.881 1.00 55.22 C ATOM 714 CE2 PHE A 44 1.549 -21.115 -2.312 1.00 51.22 C ATOM 715 CZ PHE A 44 0.865 -22.298 -2.110 1.00 43.33 C ATOM 0 H PHE A 44 -0.339 -17.812 -0.181 1.00 3.33 H new ATOM 0 HA PHE A 44 -0.710 -19.775 1.974 1.00 53.54 H new ATOM 0 HB2 PHE A 44 1.803 -18.602 0.722 1.00 24.54 H new ATOM 0 HB3 PHE A 44 1.753 -19.902 1.895 1.00 24.54 H new ATOM 0 HD1 PHE A 44 -0.047 -21.846 1.102 1.00 3.14 H new ATOM 0 HD2 PHE A 44 2.196 -19.275 -1.449 1.00 72.40 H new ATOM 0 HE1 PHE A 44 -0.245 -23.484 -0.720 1.00 55.22 H new ATOM 0 HE2 PHE A 44 1.997 -20.907 -3.272 1.00 51.22 H new ATOM 0 HZ PHE A 44 0.779 -23.017 -2.911 1.00 43.33 H new ATOM 725 N ALA A 45 -0.821 -16.955 2.798 1.00 73.03 N ATOM 726 CA ALA A 45 -0.729 -15.928 3.829 1.00 61.21 C ATOM 727 C ALA A 45 0.528 -15.082 3.650 1.00 50.43 C ATOM 728 O ALA A 45 1.011 -14.462 4.598 1.00 54.00 O ATOM 729 CB ALA A 45 -0.747 -16.565 5.211 1.00 32.41 C ATOM 0 H ALA A 45 -1.623 -16.857 2.175 1.00 73.03 H new ATOM 0 HA ALA A 45 -1.594 -15.272 3.732 1.00 61.21 H new ATOM 0 HB1 ALA A 45 -0.678 -15.787 5.971 1.00 32.41 H new ATOM 0 HB2 ALA A 45 -1.676 -17.120 5.344 1.00 32.41 H new ATOM 0 HB3 ALA A 45 0.099 -17.245 5.309 1.00 32.41 H new ATOM 735 N VAL A 46 1.054 -15.064 2.429 1.00 61.42 N ATOM 736 CA VAL A 46 2.254 -14.293 2.127 1.00 3.15 C ATOM 737 C VAL A 46 1.965 -13.208 1.095 1.00 5.44 C ATOM 738 O VAL A 46 1.375 -13.474 0.049 1.00 22.03 O ATOM 739 CB VAL A 46 3.384 -15.199 1.600 1.00 63.45 C ATOM 740 CG1 VAL A 46 4.611 -14.372 1.250 1.00 21.13 C ATOM 741 CG2 VAL A 46 3.728 -16.270 2.625 1.00 52.41 C ATOM 0 H VAL A 46 0.668 -15.574 1.634 1.00 61.42 H new ATOM 0 HA VAL A 46 2.575 -13.828 3.059 1.00 3.15 H new ATOM 0 HB VAL A 46 3.038 -15.694 0.693 1.00 63.45 H new ATOM 0 HG11 VAL A 46 5.399 -15.028 0.880 1.00 21.13 H new ATOM 0 HG12 VAL A 46 4.352 -13.645 0.480 1.00 21.13 H new ATOM 0 HG13 VAL A 46 4.963 -13.849 2.139 1.00 21.13 H new ATOM 0 HG21 VAL A 46 4.528 -16.901 2.237 1.00 52.41 H new ATOM 0 HG22 VAL A 46 4.056 -15.796 3.550 1.00 52.41 H new ATOM 0 HG23 VAL A 46 2.847 -16.881 2.823 1.00 52.41 H new ATOM 751 N ASN A 47 2.388 -11.985 1.397 1.00 50.02 N ATOM 752 CA ASN A 47 2.175 -10.859 0.495 1.00 51.15 C ATOM 753 C ASN A 47 3.091 -10.954 -0.721 1.00 44.23 C ATOM 754 O ASN A 47 4.247 -11.368 -0.627 1.00 64.11 O ATOM 755 CB ASN A 47 2.417 -9.538 1.229 1.00 30.15 C ATOM 756 CG ASN A 47 1.366 -9.263 2.287 1.00 12.11 C ATOM 757 OD1 ASN A 47 0.311 -9.897 2.310 1.00 13.44 O ATOM 758 ND2 ASN A 47 1.650 -8.313 3.170 1.00 21.30 N ATOM 0 H ASN A 47 2.880 -11.748 2.259 1.00 50.02 H new ATOM 0 HA ASN A 47 1.141 -10.892 0.151 1.00 51.15 H new ATOM 0 HB2 ASN A 47 3.402 -9.560 1.696 1.00 30.15 H new ATOM 0 HB3 ASN A 47 2.425 -8.721 0.508 1.00 30.15 H new ATOM 0 HD21 ASN A 47 0.981 -8.084 3.905 1.00 21.30 H new ATOM 0 HD22 ASN A 47 2.537 -7.813 3.113 1.00 21.30 H new ATOM 765 N PRO A 48 2.566 -10.562 -1.890 1.00 33.31 N ATOM 766 CA PRO A 48 3.320 -10.592 -3.147 1.00 54.34 C ATOM 767 C PRO A 48 4.429 -9.547 -3.183 1.00 62.41 C ATOM 768 O PRO A 48 5.256 -9.536 -4.094 1.00 41.11 O ATOM 769 CB PRO A 48 2.258 -10.282 -4.205 1.00 71.13 C ATOM 770 CG PRO A 48 1.211 -9.512 -3.476 1.00 14.44 C ATOM 771 CD PRO A 48 1.195 -10.058 -2.076 1.00 60.52 C ATOM 0 HA PRO A 48 3.825 -11.546 -3.297 1.00 54.34 H new ATOM 0 HB2 PRO A 48 2.676 -9.701 -5.027 1.00 71.13 H new ATOM 0 HB3 PRO A 48 1.849 -11.196 -4.636 1.00 71.13 H new ATOM 0 HG2 PRO A 48 1.439 -8.446 -3.477 1.00 14.44 H new ATOM 0 HG3 PRO A 48 0.238 -9.630 -3.952 1.00 14.44 H new ATOM 0 HD2 PRO A 48 0.948 -9.286 -1.347 1.00 60.52 H new ATOM 0 HD3 PRO A 48 0.456 -10.852 -1.963 1.00 60.52 H new ATOM 779 N GLY A 49 4.440 -8.668 -2.186 1.00 24.50 N ATOM 780 CA GLY A 49 5.454 -7.630 -2.123 1.00 44.15 C ATOM 781 C GLY A 49 6.736 -8.111 -1.472 1.00 13.21 C ATOM 782 O GLY A 49 7.606 -7.309 -1.129 1.00 12.02 O ATOM 0 H GLY A 49 3.766 -8.655 -1.421 1.00 24.50 H new ATOM 0 HA2 GLY A 49 5.672 -7.278 -3.131 1.00 44.15 H new ATOM 0 HA3 GLY A 49 5.064 -6.779 -1.565 1.00 44.15 H new ATOM 786 N LEU A 50 6.855 -9.423 -1.300 1.00 54.13 N ATOM 787 CA LEU A 50 8.040 -10.011 -0.685 1.00 33.54 C ATOM 788 C LEU A 50 9.022 -10.493 -1.748 1.00 11.12 C ATOM 789 O LEU A 50 10.227 -10.570 -1.505 1.00 2.51 O ATOM 790 CB LEU A 50 7.643 -11.174 0.226 1.00 12.32 C ATOM 791 CG LEU A 50 6.742 -10.822 1.409 1.00 75.32 C ATOM 792 CD1 LEU A 50 6.530 -12.037 2.299 1.00 23.11 C ATOM 793 CD2 LEU A 50 7.335 -9.670 2.207 1.00 45.23 C ATOM 0 H LEU A 50 6.145 -10.100 -1.578 1.00 54.13 H new ATOM 0 HA LEU A 50 8.529 -9.242 -0.087 1.00 33.54 H new ATOM 0 HB2 LEU A 50 7.137 -11.927 -0.379 1.00 12.32 H new ATOM 0 HB3 LEU A 50 8.553 -11.634 0.612 1.00 12.32 H new ATOM 0 HG LEU A 50 5.773 -10.508 1.022 1.00 75.32 H new ATOM 0 HD11 LEU A 50 5.886 -11.767 3.136 1.00 23.11 H new ATOM 0 HD12 LEU A 50 6.060 -12.833 1.722 1.00 23.11 H new ATOM 0 HD13 LEU A 50 7.492 -12.383 2.678 1.00 23.11 H new ATOM 0 HD21 LEU A 50 6.680 -9.433 3.045 1.00 45.23 H new ATOM 0 HD22 LEU A 50 8.317 -9.956 2.583 1.00 45.23 H new ATOM 0 HD23 LEU A 50 7.433 -8.795 1.565 1.00 45.23 H new ATOM 805 N LEU A 51 8.500 -10.815 -2.927 1.00 63.21 N ATOM 806 CA LEU A 51 9.331 -11.288 -4.028 1.00 41.32 C ATOM 807 C LEU A 51 10.277 -10.192 -4.505 1.00 1.14 C ATOM 808 O LEU A 51 11.342 -10.475 -5.055 1.00 62.40 O ATOM 809 CB LEU A 51 8.453 -11.762 -5.188 1.00 64.22 C ATOM 810 CG LEU A 51 7.453 -12.872 -4.863 1.00 21.33 C ATOM 811 CD1 LEU A 51 6.317 -12.878 -5.874 1.00 30.00 C ATOM 812 CD2 LEU A 51 8.149 -14.224 -4.832 1.00 65.01 C ATOM 0 H LEU A 51 7.505 -10.757 -3.144 1.00 63.21 H new ATOM 0 HA LEU A 51 9.928 -12.125 -3.667 1.00 41.32 H new ATOM 0 HB2 LEU A 51 7.901 -10.905 -5.573 1.00 64.22 H new ATOM 0 HB3 LEU A 51 9.103 -12.110 -5.991 1.00 64.22 H new ATOM 0 HG LEU A 51 7.033 -12.680 -3.876 1.00 21.33 H new ATOM 0 HD11 LEU A 51 5.615 -13.674 -5.627 1.00 30.00 H new ATOM 0 HD12 LEU A 51 5.801 -11.918 -5.847 1.00 30.00 H new ATOM 0 HD13 LEU A 51 6.720 -13.046 -6.873 1.00 30.00 H new ATOM 0 HD21 LEU A 51 7.422 -15.002 -4.599 1.00 65.01 H new ATOM 0 HD22 LEU A 51 8.597 -14.425 -5.805 1.00 65.01 H new ATOM 0 HD23 LEU A 51 8.928 -14.215 -4.069 1.00 65.01 H new ATOM 824 N GLU A 52 9.883 -8.941 -4.290 1.00 73.01 N ATOM 825 CA GLU A 52 10.699 -7.803 -4.699 1.00 72.55 C ATOM 826 C GLU A 52 11.869 -7.601 -3.741 1.00 63.23 C ATOM 827 O GLU A 52 12.735 -6.756 -3.969 1.00 72.01 O ATOM 828 CB GLU A 52 9.847 -6.533 -4.756 1.00 22.33 C ATOM 829 CG GLU A 52 9.470 -5.990 -3.388 1.00 2.24 C ATOM 830 CD GLU A 52 8.185 -5.186 -3.413 1.00 14.13 C ATOM 831 OE1 GLU A 52 7.687 -4.900 -4.523 1.00 34.43 O ATOM 832 OE2 GLU A 52 7.677 -4.843 -2.326 1.00 1.30 O1- ATOM 0 H GLU A 52 9.005 -8.690 -3.836 1.00 73.01 H new ATOM 0 HA GLU A 52 11.097 -8.011 -5.692 1.00 72.55 H new ATOM 0 HB2 GLU A 52 10.392 -5.765 -5.305 1.00 22.33 H new ATOM 0 HB3 GLU A 52 8.937 -6.741 -5.318 1.00 22.33 H new ATOM 0 HG2 GLU A 52 9.361 -6.820 -2.689 1.00 2.24 H new ATOM 0 HG3 GLU A 52 10.279 -5.363 -3.015 1.00 2.24 H new ATOM 839 N THR A 53 11.888 -8.383 -2.666 1.00 32.31 N ATOM 840 CA THR A 53 12.950 -8.289 -1.672 1.00 4.44 C ATOM 841 C THR A 53 13.734 -9.593 -1.581 1.00 45.31 C ATOM 842 O THR A 53 13.152 -10.674 -1.474 1.00 34.24 O ATOM 843 CB THR A 53 12.388 -7.943 -0.280 1.00 1.54 C ATOM 844 OG1 THR A 53 11.564 -9.014 0.195 1.00 43.23 O ATOM 845 CG2 THR A 53 11.578 -6.657 -0.328 1.00 24.01 C ATOM 0 H THR A 53 11.180 -9.088 -2.462 1.00 32.31 H new ATOM 0 HA THR A 53 13.616 -7.489 -1.996 1.00 4.44 H new ATOM 0 HB THR A 53 13.227 -7.800 0.401 1.00 1.54 H new ATOM 0 HG1 THR A 53 11.295 -9.579 -0.559 1.00 43.23 H new ATOM 0 HG21 THR A 53 11.191 -6.433 0.666 1.00 24.01 H new ATOM 0 HG22 THR A 53 12.215 -5.838 -0.663 1.00 24.01 H new ATOM 0 HG23 THR A 53 10.746 -6.777 -1.022 1.00 24.01 H new ATOM 853 N SER A 54 15.059 -9.487 -1.623 1.00 50.12 N ATOM 854 CA SER A 54 15.922 -10.660 -1.548 1.00 32.41 C ATOM 855 C SER A 54 15.625 -11.475 -0.294 1.00 70.45 C ATOM 856 O SER A 54 15.858 -12.682 -0.256 1.00 1.41 O ATOM 857 CB SER A 54 17.393 -10.236 -1.559 1.00 42.13 C ATOM 858 OG SER A 54 17.906 -10.143 -0.241 1.00 52.04 O ATOM 0 H SER A 54 15.558 -8.601 -1.709 1.00 50.12 H new ATOM 0 HA SER A 54 15.723 -11.284 -2.419 1.00 32.41 H new ATOM 0 HB2 SER A 54 17.978 -10.956 -2.131 1.00 42.13 H new ATOM 0 HB3 SER A 54 17.494 -9.274 -2.061 1.00 42.13 H new ATOM 0 HG SER A 54 18.847 -9.872 -0.275 1.00 52.04 H new ATOM 864 N GLU A 55 15.108 -10.804 0.731 1.00 44.10 N ATOM 865 CA GLU A 55 14.779 -11.466 1.988 1.00 22.24 C ATOM 866 C GLU A 55 13.387 -12.088 1.928 1.00 34.11 C ATOM 867 O GLU A 55 13.182 -13.222 2.359 1.00 35.14 O ATOM 868 CB GLU A 55 14.857 -10.473 3.149 1.00 32.10 C ATOM 869 CG GLU A 55 16.116 -9.623 3.140 1.00 74.30 C ATOM 870 CD GLU A 55 15.839 -8.173 2.792 1.00 34.41 C ATOM 871 OE1 GLU A 55 15.350 -7.915 1.671 1.00 42.23 O ATOM 872 OE2 GLU A 55 16.111 -7.296 3.638 1.00 2.22 O1- ATOM 0 H GLU A 55 14.908 -9.804 0.716 1.00 44.10 H new ATOM 0 HA GLU A 55 15.506 -12.262 2.151 1.00 22.24 H new ATOM 0 HB2 GLU A 55 13.986 -9.818 3.115 1.00 32.10 H new ATOM 0 HB3 GLU A 55 14.806 -11.022 4.089 1.00 32.10 H new ATOM 0 HG2 GLU A 55 16.591 -9.673 4.120 1.00 74.30 H new ATOM 0 HG3 GLU A 55 16.824 -10.036 2.421 1.00 74.30 H new ATOM 879 N GLY A 56 12.432 -11.334 1.390 1.00 43.21 N ATOM 880 CA GLY A 56 11.071 -11.827 1.284 1.00 61.41 C ATOM 881 C GLY A 56 10.993 -13.173 0.592 1.00 23.14 C ATOM 882 O GLY A 56 10.128 -13.991 0.906 1.00 33.23 O ATOM 0 H GLY A 56 12.577 -10.392 1.026 1.00 43.21 H new ATOM 0 HA2 GLY A 56 10.639 -11.909 2.281 1.00 61.41 H new ATOM 0 HA3 GLY A 56 10.468 -11.104 0.734 1.00 61.41 H new ATOM 886 N CYS A 57 11.899 -13.404 -0.353 1.00 64.54 N ATOM 887 CA CYS A 57 11.929 -14.661 -1.093 1.00 35.42 C ATOM 888 C CYS A 57 12.461 -15.793 -0.221 1.00 55.11 C ATOM 889 O CYS A 57 11.942 -16.909 -0.251 1.00 75.24 O ATOM 890 CB CYS A 57 12.792 -14.516 -2.347 1.00 41.51 C ATOM 891 SG CYS A 57 11.847 -14.277 -3.870 1.00 4.11 S ATOM 0 H CYS A 57 12.622 -12.738 -0.624 1.00 64.54 H new ATOM 0 HA CYS A 57 10.909 -14.906 -1.389 1.00 35.42 H new ATOM 0 HB2 CYS A 57 13.467 -13.671 -2.215 1.00 41.51 H new ATOM 0 HB3 CYS A 57 13.412 -15.406 -2.453 1.00 41.51 H new ATOM 0 HG CYS A 57 12.664 -14.162 -4.874 1.00 4.11 H new ATOM 897 N ARG A 58 13.500 -15.498 0.553 1.00 74.01 N ATOM 898 CA ARG A 58 14.105 -16.493 1.432 1.00 14.31 C ATOM 899 C ARG A 58 13.055 -17.124 2.341 1.00 45.13 C ATOM 900 O ARG A 58 13.068 -18.333 2.571 1.00 63.43 O ATOM 901 CB ARG A 58 15.210 -15.854 2.276 1.00 54.25 C ATOM 902 CG ARG A 58 16.347 -16.805 2.609 1.00 21.44 C ATOM 903 CD ARG A 58 17.467 -16.094 3.354 1.00 54.23 C ATOM 904 NE ARG A 58 17.468 -16.417 4.778 1.00 62.03 N ATOM 905 CZ ARG A 58 18.200 -15.770 5.677 1.00 4.11 C ATOM 906 NH1 ARG A 58 18.987 -14.771 5.302 1.00 21.21 N1+ ATOM 907 NH2 ARG A 58 18.147 -16.123 6.955 1.00 25.53 N ATOM 0 H ARG A 58 13.941 -14.579 0.590 1.00 74.01 H new ATOM 0 HA ARG A 58 14.540 -17.276 0.810 1.00 14.31 H new ATOM 0 HB2 ARG A 58 15.612 -14.993 1.742 1.00 54.25 H new ATOM 0 HB3 ARG A 58 14.777 -15.480 3.204 1.00 54.25 H new ATOM 0 HG2 ARG A 58 15.969 -17.627 3.216 1.00 21.44 H new ATOM 0 HG3 ARG A 58 16.739 -17.241 1.690 1.00 21.44 H new ATOM 0 HD2 ARG A 58 18.426 -16.373 2.918 1.00 54.23 H new ATOM 0 HD3 ARG A 58 17.360 -15.017 3.227 1.00 54.23 H new ATOM 0 HE ARG A 58 16.874 -17.181 5.100 1.00 62.03 H new ATOM 0 HH11 ARG A 58 19.031 -14.498 4.320 1.00 21.21 H new ATOM 0 HH12 ARG A 58 19.548 -14.276 5.995 1.00 21.21 H new ATOM 0 HH21 ARG A 58 17.544 -16.892 7.247 1.00 25.53 H new ATOM 0 HH22 ARG A 58 18.710 -15.626 7.645 1.00 25.53 H new ATOM 921 N GLN A 59 12.150 -16.298 2.854 1.00 51.34 N ATOM 922 CA GLN A 59 11.094 -16.777 3.739 1.00 65.24 C ATOM 923 C GLN A 59 10.122 -17.680 2.989 1.00 52.41 C ATOM 924 O GLN A 59 9.509 -18.573 3.576 1.00 1.21 O ATOM 925 CB GLN A 59 10.340 -15.596 4.354 1.00 3.11 C ATOM 926 CG GLN A 59 9.812 -15.873 5.752 1.00 22.42 C ATOM 927 CD GLN A 59 9.425 -14.606 6.491 1.00 44.51 C ATOM 928 OE1 GLN A 59 8.513 -13.888 6.080 1.00 3.14 O ATOM 929 NE2 GLN A 59 10.118 -14.326 7.588 1.00 73.03 N ATOM 0 H GLN A 59 12.126 -15.295 2.673 1.00 51.34 H new ATOM 0 HA GLN A 59 11.559 -17.357 4.536 1.00 65.24 H new ATOM 0 HB2 GLN A 59 11.003 -14.731 4.390 1.00 3.11 H new ATOM 0 HB3 GLN A 59 9.505 -15.331 3.705 1.00 3.11 H new ATOM 0 HG2 GLN A 59 8.945 -16.530 5.685 1.00 22.42 H new ATOM 0 HG3 GLN A 59 10.572 -16.405 6.324 1.00 22.42 H new ATOM 0 HE21 GLN A 59 10.866 -14.950 7.892 1.00 73.03 H new ATOM 0 HE22 GLN A 59 9.903 -13.487 8.127 1.00 73.03 H new ATOM 938 N ILE A 60 9.986 -17.444 1.688 1.00 51.10 N ATOM 939 CA ILE A 60 9.088 -18.237 0.858 1.00 20.32 C ATOM 940 C ILE A 60 9.710 -19.585 0.509 1.00 24.52 C ATOM 941 O ILE A 60 9.047 -20.621 0.569 1.00 50.32 O ATOM 942 CB ILE A 60 8.727 -17.499 -0.444 1.00 10.44 C ATOM 943 CG1 ILE A 60 8.069 -16.154 -0.128 1.00 1.42 C ATOM 944 CG2 ILE A 60 7.808 -18.357 -1.302 1.00 73.01 C ATOM 945 CD1 ILE A 60 8.080 -15.188 -1.292 1.00 71.22 C ATOM 0 H ILE A 60 10.486 -16.710 1.186 1.00 51.10 H new ATOM 0 HA ILE A 60 8.180 -18.398 1.439 1.00 20.32 H new ATOM 0 HB ILE A 60 9.643 -17.311 -1.004 1.00 10.44 H new ATOM 0 HG12 ILE A 60 7.038 -16.327 0.181 1.00 1.42 H new ATOM 0 HG13 ILE A 60 8.583 -15.697 0.718 1.00 1.42 H new ATOM 0 HG21 ILE A 60 7.562 -17.822 -2.219 1.00 73.01 H new ATOM 0 HG22 ILE A 60 8.311 -19.292 -1.551 1.00 73.01 H new ATOM 0 HG23 ILE A 60 6.893 -18.573 -0.751 1.00 73.01 H new ATOM 0 HD11 ILE A 60 7.598 -14.256 -0.996 1.00 71.22 H new ATOM 0 HD12 ILE A 60 9.110 -14.986 -1.587 1.00 71.22 H new ATOM 0 HD13 ILE A 60 7.541 -15.625 -2.133 1.00 71.22 H new ATOM 957 N LEU A 61 10.988 -19.565 0.147 1.00 5.11 N ATOM 958 CA LEU A 61 11.702 -20.787 -0.210 1.00 34.52 C ATOM 959 C LEU A 61 11.934 -21.660 1.019 1.00 72.52 C ATOM 960 O LEU A 61 11.988 -22.885 0.920 1.00 64.41 O ATOM 961 CB LEU A 61 13.040 -20.445 -0.867 1.00 32.14 C ATOM 962 CG LEU A 61 12.962 -19.719 -2.211 1.00 64.40 C ATOM 963 CD1 LEU A 61 14.300 -19.077 -2.548 1.00 54.50 C ATOM 964 CD2 LEU A 61 12.536 -20.679 -3.311 1.00 34.11 C ATOM 0 H LEU A 61 11.551 -18.716 0.093 1.00 5.11 H new ATOM 0 HA LEU A 61 11.089 -21.344 -0.918 1.00 34.52 H new ATOM 0 HB2 LEU A 61 13.614 -19.828 -0.176 1.00 32.14 H new ATOM 0 HB3 LEU A 61 13.600 -21.370 -1.008 1.00 32.14 H new ATOM 0 HG LEU A 61 12.213 -18.931 -2.135 1.00 64.40 H new ATOM 0 HD11 LEU A 61 14.226 -18.565 -3.507 1.00 54.50 H new ATOM 0 HD12 LEU A 61 14.564 -18.358 -1.772 1.00 54.50 H new ATOM 0 HD13 LEU A 61 15.069 -19.847 -2.606 1.00 54.50 H new ATOM 0 HD21 LEU A 61 12.486 -20.146 -4.260 1.00 34.11 H new ATOM 0 HD22 LEU A 61 13.261 -21.489 -3.388 1.00 34.11 H new ATOM 0 HD23 LEU A 61 11.555 -21.091 -3.074 1.00 34.11 H new ATOM 976 N GLY A 62 12.067 -21.021 2.177 1.00 22.44 N ATOM 977 CA GLY A 62 12.289 -21.755 3.408 1.00 64.43 C ATOM 978 C GLY A 62 11.112 -22.636 3.779 1.00 12.34 C ATOM 979 O GLY A 62 11.282 -23.668 4.427 1.00 32.34 O ATOM 0 H GLY A 62 12.025 -20.008 2.284 1.00 22.44 H new ATOM 0 HA2 GLY A 62 13.182 -22.372 3.304 1.00 64.43 H new ATOM 0 HA3 GLY A 62 12.481 -21.051 4.218 1.00 64.43 H new ATOM 983 N GLN A 63 9.917 -22.226 3.367 1.00 44.12 N ATOM 984 CA GLN A 63 8.707 -22.985 3.663 1.00 30.33 C ATOM 985 C GLN A 63 8.427 -24.011 2.569 1.00 22.22 C ATOM 986 O GLN A 63 7.828 -25.056 2.823 1.00 2.02 O ATOM 987 CB GLN A 63 7.511 -22.041 3.812 1.00 4.35 C ATOM 988 CG GLN A 63 7.023 -21.901 5.244 1.00 21.32 C ATOM 989 CD GLN A 63 8.105 -21.406 6.183 1.00 64.20 C ATOM 990 OE1 GLN A 63 9.187 -21.008 5.750 1.00 12.50 O ATOM 991 NE2 GLN A 63 7.818 -21.429 7.481 1.00 33.35 N ATOM 0 H GLN A 63 9.760 -21.374 2.828 1.00 44.12 H new ATOM 0 HA GLN A 63 8.861 -23.516 4.603 1.00 30.33 H new ATOM 0 HB2 GLN A 63 7.786 -21.057 3.433 1.00 4.35 H new ATOM 0 HB3 GLN A 63 6.692 -22.405 3.191 1.00 4.35 H new ATOM 0 HG2 GLN A 63 6.180 -21.210 5.271 1.00 21.32 H new ATOM 0 HG3 GLN A 63 6.656 -22.866 5.595 1.00 21.32 H new ATOM 0 HE21 GLN A 63 6.909 -21.767 7.796 1.00 33.35 H new ATOM 0 HE22 GLN A 63 8.507 -21.109 8.161 1.00 33.35 H new ATOM 1000 N LEU A 64 8.864 -23.704 1.353 1.00 53.11 N ATOM 1001 CA LEU A 64 8.661 -24.599 0.219 1.00 54.54 C ATOM 1002 C LEU A 64 9.723 -25.694 0.191 1.00 21.32 C ATOM 1003 O LEU A 64 9.495 -26.780 -0.339 1.00 14.42 O ATOM 1004 CB LEU A 64 8.690 -23.811 -1.091 1.00 13.30 C ATOM 1005 CG LEU A 64 7.500 -22.885 -1.345 1.00 64.54 C ATOM 1006 CD1 LEU A 64 7.711 -22.079 -2.616 1.00 13.23 C ATOM 1007 CD2 LEU A 64 6.209 -23.686 -1.427 1.00 31.30 C ATOM 0 H LEU A 64 9.361 -22.843 1.127 1.00 53.11 H new ATOM 0 HA LEU A 64 7.684 -25.069 0.331 1.00 54.54 H new ATOM 0 HB2 LEU A 64 9.601 -23.213 -1.111 1.00 13.30 H new ATOM 0 HB3 LEU A 64 8.756 -24.520 -1.916 1.00 13.30 H new ATOM 0 HG LEU A 64 7.421 -22.190 -0.509 1.00 64.54 H new ATOM 0 HD11 LEU A 64 6.854 -21.426 -2.779 1.00 13.23 H new ATOM 0 HD12 LEU A 64 8.613 -21.475 -2.518 1.00 13.23 H new ATOM 0 HD13 LEU A 64 7.818 -22.757 -3.463 1.00 13.23 H new ATOM 0 HD21 LEU A 64 5.373 -23.011 -1.608 1.00 31.30 H new ATOM 0 HD22 LEU A 64 6.278 -24.405 -2.243 1.00 31.30 H new ATOM 0 HD23 LEU A 64 6.050 -24.217 -0.488 1.00 31.30 H new ATOM 1019 N GLN A 65 10.883 -25.399 0.768 1.00 64.22 N ATOM 1020 CA GLN A 65 11.981 -26.358 0.811 1.00 51.31 C ATOM 1021 C GLN A 65 11.512 -27.696 1.373 1.00 15.54 C ATOM 1022 O GLN A 65 11.557 -28.729 0.703 1.00 23.12 O ATOM 1023 CB GLN A 65 13.132 -25.812 1.657 1.00 32.20 C ATOM 1024 CG GLN A 65 14.303 -25.300 0.833 1.00 44.02 C ATOM 1025 CD GLN A 65 15.480 -24.880 1.691 1.00 74.00 C ATOM 1026 OE1 GLN A 65 15.521 -23.761 2.203 1.00 13.12 O ATOM 1027 NE2 GLN A 65 16.445 -25.777 1.853 1.00 23.20 N ATOM 0 H GLN A 65 11.087 -24.504 1.212 1.00 64.22 H new ATOM 0 HA GLN A 65 12.333 -26.515 -0.209 1.00 51.31 H new ATOM 0 HB2 GLN A 65 12.759 -25.003 2.285 1.00 32.20 H new ATOM 0 HB3 GLN A 65 13.485 -26.597 2.326 1.00 32.20 H new ATOM 0 HG2 GLN A 65 14.623 -26.078 0.140 1.00 44.02 H new ATOM 0 HG3 GLN A 65 13.976 -24.452 0.231 1.00 44.02 H new ATOM 0 HE21 GLN A 65 16.370 -26.693 1.410 1.00 23.20 H new ATOM 0 HE22 GLN A 65 17.262 -25.551 2.420 1.00 23.20 H new ATOM 1036 N PRO A 66 11.050 -27.682 2.632 1.00 23.54 N ATOM 1037 CA PRO A 66 10.564 -28.885 3.311 1.00 44.12 C ATOM 1038 C PRO A 66 9.247 -29.387 2.730 1.00 61.34 C ATOM 1039 O PRO A 66 8.852 -30.531 2.957 1.00 70.20 O ATOM 1040 CB PRO A 66 10.369 -28.423 4.757 1.00 22.42 C ATOM 1041 CG PRO A 66 10.144 -26.954 4.658 1.00 51.33 C ATOM 1042 CD PRO A 66 10.967 -26.487 3.489 1.00 73.33 C ATOM 0 HA PRO A 66 11.257 -29.720 3.206 1.00 44.12 H new ATOM 0 HB2 PRO A 66 9.519 -28.923 5.221 1.00 22.42 H new ATOM 0 HB3 PRO A 66 11.244 -28.649 5.366 1.00 22.42 H new ATOM 0 HG2 PRO A 66 9.088 -26.730 4.506 1.00 51.33 H new ATOM 0 HG3 PRO A 66 10.448 -26.450 5.575 1.00 51.33 H new ATOM 0 HD2 PRO A 66 10.493 -25.653 2.971 1.00 73.33 H new ATOM 0 HD3 PRO A 66 11.954 -26.148 3.802 1.00 73.33 H new ATOM 1050 N SER A 67 8.570 -28.524 1.980 1.00 50.52 N ATOM 1051 CA SER A 67 7.293 -28.879 1.369 1.00 1.15 C ATOM 1052 C SER A 67 7.509 -29.637 0.062 1.00 43.13 C ATOM 1053 O SER A 67 6.667 -30.434 -0.352 1.00 2.23 O ATOM 1054 CB SER A 67 6.460 -27.622 1.110 1.00 23.12 C ATOM 1055 OG SER A 67 6.136 -26.966 2.324 1.00 3.43 O ATOM 0 H SER A 67 8.884 -27.574 1.780 1.00 50.52 H new ATOM 0 HA SER A 67 6.755 -29.527 2.061 1.00 1.15 H new ATOM 0 HB2 SER A 67 7.013 -26.942 0.462 1.00 23.12 H new ATOM 0 HB3 SER A 67 5.545 -27.891 0.583 1.00 23.12 H new ATOM 0 HG SER A 67 6.845 -26.329 2.551 1.00 3.43 H new ATOM 1061 N LEU A 68 8.644 -29.384 -0.581 1.00 34.12 N ATOM 1062 CA LEU A 68 8.972 -30.041 -1.841 1.00 52.51 C ATOM 1063 C LEU A 68 8.845 -31.557 -1.713 1.00 35.10 C ATOM 1064 O LEU A 68 8.521 -32.244 -2.681 1.00 43.11 O ATOM 1065 CB LEU A 68 10.391 -29.673 -2.278 1.00 71.45 C ATOM 1066 CG LEU A 68 10.568 -28.276 -2.875 1.00 44.45 C ATOM 1067 CD1 LEU A 68 11.914 -27.692 -2.478 1.00 62.03 C ATOM 1068 CD2 LEU A 68 10.431 -28.324 -4.390 1.00 61.22 C ATOM 0 H LEU A 68 9.352 -28.729 -0.250 1.00 34.12 H new ATOM 0 HA LEU A 68 8.265 -29.697 -2.596 1.00 52.51 H new ATOM 0 HB2 LEU A 68 11.051 -29.764 -1.415 1.00 71.45 H new ATOM 0 HB3 LEU A 68 10.725 -30.405 -3.013 1.00 71.45 H new ATOM 0 HG LEU A 68 9.785 -27.630 -2.479 1.00 44.45 H new ATOM 0 HD11 LEU A 68 12.022 -26.698 -2.912 1.00 62.03 H new ATOM 0 HD12 LEU A 68 11.974 -27.622 -1.392 1.00 62.03 H new ATOM 0 HD13 LEU A 68 12.713 -28.337 -2.845 1.00 62.03 H new ATOM 0 HD21 LEU A 68 10.560 -27.322 -4.799 1.00 61.22 H new ATOM 0 HD22 LEU A 68 11.193 -28.985 -4.803 1.00 61.22 H new ATOM 0 HD23 LEU A 68 9.442 -28.700 -4.654 1.00 61.22 H new ATOM 1080 N GLN A 69 9.100 -32.067 -0.514 1.00 43.43 N ATOM 1081 CA GLN A 69 9.012 -33.501 -0.259 1.00 33.03 C ATOM 1082 C GLN A 69 7.630 -34.034 -0.622 1.00 22.13 C ATOM 1083 O GLN A 69 7.504 -35.011 -1.362 1.00 73.10 O ATOM 1084 CB GLN A 69 9.318 -33.799 1.209 1.00 4.43 C ATOM 1085 CG GLN A 69 10.140 -35.062 1.415 1.00 1.03 C ATOM 1086 CD GLN A 69 9.827 -35.755 2.725 1.00 65.51 C ATOM 1087 OE1 GLN A 69 8.719 -36.252 2.930 1.00 21.05 O ATOM 1088 NE2 GLN A 69 10.804 -35.793 3.624 1.00 24.22 N ATOM 0 H GLN A 69 9.369 -31.510 0.297 1.00 43.43 H new ATOM 0 HA GLN A 69 9.750 -34.002 -0.885 1.00 33.03 H new ATOM 0 HB2 GLN A 69 9.854 -32.953 1.639 1.00 4.43 H new ATOM 0 HB3 GLN A 69 8.380 -33.893 1.755 1.00 4.43 H new ATOM 0 HG2 GLN A 69 9.954 -35.750 0.591 1.00 1.03 H new ATOM 0 HG3 GLN A 69 11.200 -34.810 1.386 1.00 1.03 H new ATOM 0 HE21 GLN A 69 11.707 -35.369 3.414 1.00 24.22 H new ATOM 0 HE22 GLN A 69 10.651 -36.246 4.525 1.00 24.22 H new ATOM 1097 N THR A 70 6.595 -33.387 -0.096 1.00 11.22 N ATOM 1098 CA THR A 70 5.222 -33.797 -0.362 1.00 14.54 C ATOM 1099 C THR A 70 4.457 -32.706 -1.103 1.00 54.23 C ATOM 1100 O THR A 70 3.289 -32.447 -0.812 1.00 13.30 O ATOM 1101 CB THR A 70 4.474 -34.140 0.940 1.00 34.31 C ATOM 1102 OG1 THR A 70 5.406 -34.556 1.944 1.00 21.23 O ATOM 1103 CG2 THR A 70 3.451 -35.239 0.704 1.00 13.32 C ATOM 0 H THR A 70 6.682 -32.576 0.517 1.00 11.22 H new ATOM 0 HA THR A 70 5.274 -34.689 -0.986 1.00 14.54 H new ATOM 0 HB THR A 70 3.950 -33.246 1.278 1.00 34.31 H new ATOM 0 HG1 THR A 70 4.923 -34.771 2.769 1.00 21.23 H new ATOM 0 HG21 THR A 70 2.936 -35.463 1.638 1.00 13.32 H new ATOM 0 HG22 THR A 70 2.726 -34.908 -0.040 1.00 13.32 H new ATOM 0 HG23 THR A 70 3.956 -36.135 0.344 1.00 13.32 H new ATOM 1111 N GLY A 71 5.121 -32.071 -2.062 1.00 35.54 N ATOM 1112 CA GLY A 71 4.486 -31.014 -2.830 1.00 65.00 C ATOM 1113 C GLY A 71 3.967 -31.502 -4.168 1.00 3.31 C ATOM 1114 O GLY A 71 4.256 -32.626 -4.581 1.00 32.44 O ATOM 0 H GLY A 71 6.087 -32.268 -2.322 1.00 35.54 H new ATOM 0 HA2 GLY A 71 3.660 -30.596 -2.254 1.00 65.00 H new ATOM 0 HA3 GLY A 71 5.201 -30.208 -2.993 1.00 65.00 H new ATOM 1118 N SER A 72 3.196 -30.657 -4.846 1.00 45.42 N ATOM 1119 CA SER A 72 2.631 -31.011 -6.143 1.00 43.32 C ATOM 1120 C SER A 72 3.155 -30.084 -7.235 1.00 43.11 C ATOM 1121 O SER A 72 4.062 -29.285 -7.003 1.00 44.31 O ATOM 1122 CB SER A 72 1.103 -30.945 -6.091 1.00 13.45 C ATOM 1123 OG SER A 72 0.641 -29.629 -6.338 1.00 71.11 O ATOM 0 H SER A 72 2.949 -29.723 -4.519 1.00 45.42 H new ATOM 0 HA SER A 72 2.936 -32.030 -6.380 1.00 43.32 H new ATOM 0 HB2 SER A 72 0.681 -31.627 -6.830 1.00 13.45 H new ATOM 0 HB3 SER A 72 0.754 -31.279 -5.114 1.00 13.45 H new ATOM 0 HG SER A 72 -0.338 -29.614 -6.301 1.00 71.11 H new ATOM 1129 N GLU A 73 2.576 -30.198 -8.427 1.00 24.45 N ATOM 1130 CA GLU A 73 2.986 -29.370 -9.555 1.00 52.42 C ATOM 1131 C GLU A 73 2.943 -27.889 -9.189 1.00 44.35 C ATOM 1132 O GLU A 73 3.794 -27.109 -9.616 1.00 41.22 O ATOM 1133 CB GLU A 73 2.083 -29.633 -10.763 1.00 43.12 C ATOM 1134 CG GLU A 73 2.813 -30.248 -11.946 1.00 23.11 C ATOM 1135 CD GLU A 73 2.034 -30.124 -13.241 1.00 61.44 C ATOM 1136 OE1 GLU A 73 0.787 -30.117 -13.183 1.00 55.24 O ATOM 1137 OE2 GLU A 73 2.671 -30.033 -14.311 1.00 24.51 O1- ATOM 0 H GLU A 73 1.823 -30.854 -8.636 1.00 24.45 H new ATOM 0 HA GLU A 73 4.012 -29.633 -9.811 1.00 52.42 H new ATOM 0 HB2 GLU A 73 1.272 -30.296 -10.462 1.00 43.12 H new ATOM 0 HB3 GLU A 73 1.627 -28.694 -11.076 1.00 43.12 H new ATOM 0 HG2 GLU A 73 3.782 -29.763 -12.062 1.00 23.11 H new ATOM 0 HG3 GLU A 73 3.006 -31.301 -11.742 1.00 23.11 H new ATOM 1144 N GLU A 74 1.946 -27.511 -8.395 1.00 63.43 N ATOM 1145 CA GLU A 74 1.792 -26.124 -7.972 1.00 64.30 C ATOM 1146 C GLU A 74 3.015 -25.655 -7.188 1.00 42.44 C ATOM 1147 O GLU A 74 3.615 -24.628 -7.507 1.00 51.04 O ATOM 1148 CB GLU A 74 0.534 -25.965 -7.117 1.00 73.11 C ATOM 1149 CG GLU A 74 0.035 -24.533 -7.029 1.00 53.11 C ATOM 1150 CD GLU A 74 -1.448 -24.449 -6.722 1.00 31.33 C ATOM 1151 OE1 GLU A 74 -2.259 -24.736 -7.627 1.00 41.21 O1- ATOM 1152 OE2 GLU A 74 -1.797 -24.097 -5.575 1.00 31.05 O ATOM 0 H GLU A 74 1.234 -28.145 -8.032 1.00 63.43 H new ATOM 0 HA GLU A 74 1.696 -25.507 -8.866 1.00 64.30 H new ATOM 0 HB2 GLU A 74 -0.257 -26.592 -7.529 1.00 73.11 H new ATOM 0 HB3 GLU A 74 0.740 -26.332 -6.111 1.00 73.11 H new ATOM 0 HG2 GLU A 74 0.593 -24.005 -6.256 1.00 53.11 H new ATOM 0 HG3 GLU A 74 0.236 -24.024 -7.971 1.00 53.11 H new ATOM 1159 N LEU A 75 3.379 -26.416 -6.161 1.00 30.52 N ATOM 1160 CA LEU A 75 4.530 -26.079 -5.330 1.00 72.14 C ATOM 1161 C LEU A 75 5.809 -26.043 -6.160 1.00 51.14 C ATOM 1162 O LEU A 75 6.645 -25.155 -5.991 1.00 42.13 O ATOM 1163 CB LEU A 75 4.675 -27.091 -4.191 1.00 75.10 C ATOM 1164 CG LEU A 75 5.484 -26.627 -2.980 1.00 23.12 C ATOM 1165 CD1 LEU A 75 4.628 -26.657 -1.723 1.00 25.11 C ATOM 1166 CD2 LEU A 75 6.725 -27.491 -2.804 1.00 13.01 C ATOM 0 H LEU A 75 2.894 -27.270 -5.884 1.00 30.52 H new ATOM 0 HA LEU A 75 4.365 -25.088 -4.908 1.00 72.14 H new ATOM 0 HB2 LEU A 75 3.678 -27.371 -3.851 1.00 75.10 H new ATOM 0 HB3 LEU A 75 5.140 -27.992 -4.590 1.00 75.10 H new ATOM 0 HG LEU A 75 5.803 -25.599 -3.153 1.00 23.12 H new ATOM 0 HD11 LEU A 75 5.221 -26.324 -0.871 1.00 25.11 H new ATOM 0 HD12 LEU A 75 3.771 -25.995 -1.850 1.00 25.11 H new ATOM 0 HD13 LEU A 75 4.278 -27.674 -1.545 1.00 25.11 H new ATOM 0 HD21 LEU A 75 7.289 -27.146 -1.937 1.00 13.01 H new ATOM 0 HD22 LEU A 75 6.427 -28.529 -2.654 1.00 13.01 H new ATOM 0 HD23 LEU A 75 7.349 -27.418 -3.695 1.00 13.01 H new ATOM 1178 N ARG A 76 5.952 -27.011 -7.057 1.00 4.25 N ATOM 1179 CA ARG A 76 7.129 -27.091 -7.915 1.00 32.51 C ATOM 1180 C ARG A 76 7.311 -25.800 -8.709 1.00 74.45 C ATOM 1181 O ARG A 76 8.390 -25.210 -8.716 1.00 4.13 O ATOM 1182 CB ARG A 76 7.012 -28.278 -8.871 1.00 54.23 C ATOM 1183 CG ARG A 76 8.346 -28.918 -9.217 1.00 63.32 C ATOM 1184 CD ARG A 76 8.163 -30.306 -9.809 1.00 44.21 C ATOM 1185 NE ARG A 76 8.921 -31.318 -9.077 1.00 13.34 N ATOM 1186 CZ ARG A 76 9.032 -32.581 -9.473 1.00 44.23 C ATOM 1187 NH1 ARG A 76 8.437 -32.985 -10.586 1.00 54.43 N1+ ATOM 1188 NH2 ARG A 76 9.740 -33.443 -8.754 1.00 10.25 N ATOM 0 H ARG A 76 5.268 -27.752 -7.210 1.00 4.25 H new ATOM 0 HA ARG A 76 8.002 -27.233 -7.278 1.00 32.51 H new ATOM 0 HB2 ARG A 76 6.363 -29.031 -8.423 1.00 54.23 H new ATOM 0 HB3 ARG A 76 6.529 -27.947 -9.790 1.00 54.23 H new ATOM 0 HG2 ARG A 76 8.880 -28.286 -9.927 1.00 63.32 H new ATOM 0 HG3 ARG A 76 8.963 -28.982 -8.321 1.00 63.32 H new ATOM 0 HD2 ARG A 76 7.105 -30.568 -9.799 1.00 44.21 H new ATOM 0 HD3 ARG A 76 8.480 -30.300 -10.852 1.00 44.21 H new ATOM 0 HE ARG A 76 9.390 -31.040 -8.215 1.00 13.34 H new ATOM 0 HH11 ARG A 76 7.892 -32.325 -11.141 1.00 54.43 H new ATOM 0 HH12 ARG A 76 8.524 -33.956 -10.887 1.00 54.43 H new ATOM 0 HH21 ARG A 76 10.199 -33.136 -7.897 1.00 10.25 H new ATOM 0 HH22 ARG A 76 9.825 -34.413 -9.059 1.00 10.25 H new ATOM 1202 N SER A 77 6.245 -25.368 -9.378 1.00 60.41 N ATOM 1203 CA SER A 77 6.288 -24.150 -10.179 1.00 64.14 C ATOM 1204 C SER A 77 6.769 -22.967 -9.343 1.00 42.11 C ATOM 1205 O SER A 77 7.557 -22.143 -9.809 1.00 33.31 O ATOM 1206 CB SER A 77 4.906 -23.849 -10.761 1.00 60.32 C ATOM 1207 OG SER A 77 4.618 -24.700 -11.858 1.00 21.34 O ATOM 0 H SER A 77 5.342 -25.843 -9.381 1.00 60.41 H new ATOM 0 HA SER A 77 6.993 -24.306 -10.996 1.00 64.14 H new ATOM 0 HB2 SER A 77 4.147 -23.976 -9.989 1.00 60.32 H new ATOM 0 HB3 SER A 77 4.862 -22.808 -11.083 1.00 60.32 H new ATOM 0 HG SER A 77 3.729 -24.489 -12.211 1.00 21.34 H new ATOM 1213 N LEU A 78 6.289 -22.890 -8.107 1.00 73.12 N ATOM 1214 CA LEU A 78 6.669 -21.808 -7.205 1.00 51.22 C ATOM 1215 C LEU A 78 8.172 -21.816 -6.948 1.00 41.35 C ATOM 1216 O LEU A 78 8.863 -20.832 -7.213 1.00 5.40 O ATOM 1217 CB LEU A 78 5.913 -21.932 -5.881 1.00 52.12 C ATOM 1218 CG LEU A 78 4.754 -20.955 -5.675 1.00 23.04 C ATOM 1219 CD1 LEU A 78 5.246 -19.519 -5.756 1.00 4.05 C ATOM 1220 CD2 LEU A 78 3.658 -21.204 -6.701 1.00 20.33 C ATOM 0 H LEU A 78 5.636 -23.563 -7.706 1.00 73.12 H new ATOM 0 HA LEU A 78 6.405 -20.863 -7.680 1.00 51.22 H new ATOM 0 HB2 LEU A 78 5.524 -22.947 -5.801 1.00 52.12 H new ATOM 0 HB3 LEU A 78 6.624 -21.798 -5.066 1.00 52.12 H new ATOM 0 HG LEU A 78 4.338 -21.119 -4.681 1.00 23.04 H new ATOM 0 HD11 LEU A 78 4.408 -18.838 -5.607 1.00 4.05 H new ATOM 0 HD12 LEU A 78 5.995 -19.347 -4.983 1.00 4.05 H new ATOM 0 HD13 LEU A 78 5.689 -19.341 -6.736 1.00 4.05 H new ATOM 0 HD21 LEU A 78 2.842 -20.500 -6.539 1.00 20.33 H new ATOM 0 HD22 LEU A 78 4.061 -21.068 -7.704 1.00 20.33 H new ATOM 0 HD23 LEU A 78 3.285 -22.223 -6.595 1.00 20.33 H new ATOM 1232 N TYR A 79 8.672 -22.933 -6.432 1.00 65.14 N ATOM 1233 CA TYR A 79 10.094 -23.070 -6.138 1.00 21.40 C ATOM 1234 C TYR A 79 10.938 -22.726 -7.361 1.00 22.24 C ATOM 1235 O TYR A 79 12.071 -22.261 -7.237 1.00 55.11 O ATOM 1236 CB TYR A 79 10.406 -24.493 -5.673 1.00 20.22 C ATOM 1237 CG TYR A 79 11.567 -24.575 -4.708 1.00 33.24 C ATOM 1238 CD1 TYR A 79 11.509 -23.954 -3.466 1.00 33.51 C ATOM 1239 CD2 TYR A 79 12.724 -25.270 -5.039 1.00 1.51 C ATOM 1240 CE1 TYR A 79 12.569 -24.025 -2.582 1.00 53.01 C ATOM 1241 CE2 TYR A 79 13.787 -25.347 -4.161 1.00 63.12 C ATOM 1242 CZ TYR A 79 13.704 -24.722 -2.933 1.00 3.34 C ATOM 1243 OH TYR A 79 14.762 -24.796 -2.057 1.00 61.33 O ATOM 0 H TYR A 79 8.114 -23.757 -6.209 1.00 65.14 H new ATOM 0 HA TYR A 79 10.343 -22.372 -5.339 1.00 21.40 H new ATOM 0 HB2 TYR A 79 9.520 -24.913 -5.198 1.00 20.22 H new ATOM 0 HB3 TYR A 79 10.624 -25.111 -6.544 1.00 20.22 H new ATOM 0 HD1 TYR A 79 10.621 -23.407 -3.187 1.00 33.51 H new ATOM 0 HD2 TYR A 79 12.793 -25.758 -6.000 1.00 1.51 H new ATOM 0 HE1 TYR A 79 12.508 -23.536 -1.621 1.00 53.01 H new ATOM 0 HE2 TYR A 79 14.678 -25.893 -4.433 1.00 63.12 H new ATOM 0 HH TYR A 79 15.483 -25.325 -2.458 1.00 61.33 H new ATOM 1253 N ASN A 80 10.377 -22.958 -8.543 1.00 53.12 N ATOM 1254 CA ASN A 80 11.077 -22.672 -9.791 1.00 43.21 C ATOM 1255 C ASN A 80 11.196 -21.169 -10.016 1.00 14.34 C ATOM 1256 O ASN A 80 12.298 -20.631 -10.129 1.00 13.10 O ATOM 1257 CB ASN A 80 10.346 -23.320 -10.969 1.00 24.22 C ATOM 1258 CG ASN A 80 11.060 -24.557 -11.482 1.00 75.32 C ATOM 1259 OD1 ASN A 80 11.659 -25.305 -10.711 1.00 41.31 O ATOM 1260 ND2 ASN A 80 10.997 -24.775 -12.790 1.00 23.01 N ATOM 0 H ASN A 80 9.440 -23.343 -8.663 1.00 53.12 H new ATOM 0 HA ASN A 80 12.081 -23.090 -9.720 1.00 43.21 H new ATOM 0 HB2 ASN A 80 9.335 -23.588 -10.663 1.00 24.22 H new ATOM 0 HB3 ASN A 80 10.253 -22.596 -11.778 1.00 24.22 H new ATOM 0 HD21 ASN A 80 11.457 -25.591 -13.194 1.00 23.01 H new ATOM 0 HD22 ASN A 80 10.488 -24.127 -13.391 1.00 23.01 H new ATOM 1267 N THR A 81 10.052 -20.492 -10.080 1.00 1.41 N ATOM 1268 CA THR A 81 10.027 -19.051 -10.294 1.00 65.45 C ATOM 1269 C THR A 81 10.733 -18.316 -9.160 1.00 64.52 C ATOM 1270 O THR A 81 11.612 -17.487 -9.398 1.00 70.11 O ATOM 1271 CB THR A 81 8.584 -18.526 -10.410 1.00 20.45 C ATOM 1272 OG1 THR A 81 7.890 -19.228 -11.446 1.00 0.51 O ATOM 1273 CG2 THR A 81 8.574 -17.034 -10.708 1.00 65.44 C ATOM 0 H THR A 81 9.131 -20.920 -9.986 1.00 1.41 H new ATOM 0 HA THR A 81 10.552 -18.860 -11.230 1.00 65.45 H new ATOM 0 HB THR A 81 8.081 -18.694 -9.457 1.00 20.45 H new ATOM 0 HG1 THR A 81 6.973 -18.890 -11.513 1.00 0.51 H new ATOM 0 HG21 THR A 81 7.544 -16.685 -10.786 1.00 65.44 H new ATOM 0 HG22 THR A 81 9.079 -16.499 -9.904 1.00 65.44 H new ATOM 0 HG23 THR A 81 9.092 -16.847 -11.649 1.00 65.44 H new ATOM 1281 N ILE A 82 10.344 -18.625 -7.927 1.00 43.40 N ATOM 1282 CA ILE A 82 10.943 -17.994 -6.757 1.00 13.52 C ATOM 1283 C ILE A 82 12.461 -18.135 -6.772 1.00 12.32 C ATOM 1284 O ILE A 82 13.182 -17.243 -6.326 1.00 10.52 O ATOM 1285 CB ILE A 82 10.395 -18.598 -5.451 1.00 25.31 C ATOM 1286 CG1 ILE A 82 8.873 -18.454 -5.395 1.00 20.40 C ATOM 1287 CG2 ILE A 82 11.041 -17.929 -4.247 1.00 30.10 C ATOM 1288 CD1 ILE A 82 8.224 -19.307 -4.329 1.00 53.24 C ATOM 0 H ILE A 82 9.617 -19.308 -7.713 1.00 43.40 H new ATOM 0 HA ILE A 82 10.679 -16.937 -6.798 1.00 13.52 H new ATOM 0 HB ILE A 82 10.641 -19.660 -5.428 1.00 25.31 H new ATOM 0 HG12 ILE A 82 8.622 -17.409 -5.215 1.00 20.40 H new ATOM 0 HG13 ILE A 82 8.455 -18.720 -6.366 1.00 20.40 H new ATOM 0 HG21 ILE A 82 10.644 -18.366 -3.331 1.00 30.10 H new ATOM 0 HG22 ILE A 82 12.120 -18.079 -4.283 1.00 30.10 H new ATOM 0 HG23 ILE A 82 10.823 -16.861 -4.263 1.00 30.10 H new ATOM 0 HD11 ILE A 82 7.145 -19.154 -4.347 1.00 53.24 H new ATOM 0 HD12 ILE A 82 8.445 -20.357 -4.519 1.00 53.24 H new ATOM 0 HD13 ILE A 82 8.614 -19.026 -3.351 1.00 53.24 H new ATOM 1300 N ALA A 83 12.940 -19.262 -7.290 1.00 61.13 N ATOM 1301 CA ALA A 83 14.373 -19.518 -7.367 1.00 43.14 C ATOM 1302 C ALA A 83 15.061 -18.520 -8.291 1.00 74.23 C ATOM 1303 O ALA A 83 15.943 -17.772 -7.869 1.00 63.23 O ATOM 1304 CB ALA A 83 14.629 -20.942 -7.840 1.00 31.44 C ATOM 0 H ALA A 83 12.357 -20.011 -7.662 1.00 61.13 H new ATOM 0 HA ALA A 83 14.793 -19.397 -6.369 1.00 43.14 H new ATOM 0 HB1 ALA A 83 15.703 -21.120 -7.893 1.00 31.44 H new ATOM 0 HB2 ALA A 83 14.179 -21.645 -7.139 1.00 31.44 H new ATOM 0 HB3 ALA A 83 14.189 -21.082 -8.827 1.00 31.44 H new ATOM 1310 N VAL A 84 14.651 -18.511 -9.556 1.00 42.32 N ATOM 1311 CA VAL A 84 15.228 -17.604 -10.541 1.00 72.21 C ATOM 1312 C VAL A 84 15.145 -16.157 -10.069 1.00 63.51 C ATOM 1313 O VAL A 84 16.072 -15.371 -10.275 1.00 54.22 O ATOM 1314 CB VAL A 84 14.519 -17.729 -11.902 1.00 35.35 C ATOM 1315 CG1 VAL A 84 15.138 -16.779 -12.915 1.00 12.55 C ATOM 1316 CG2 VAL A 84 14.574 -19.164 -12.401 1.00 3.23 C ATOM 0 H VAL A 84 13.921 -19.122 -9.922 1.00 42.32 H new ATOM 0 HA VAL A 84 16.274 -17.887 -10.657 1.00 72.21 H new ATOM 0 HB VAL A 84 13.472 -17.453 -11.774 1.00 35.35 H new ATOM 0 HG11 VAL A 84 14.624 -16.881 -13.871 1.00 12.55 H new ATOM 0 HG12 VAL A 84 15.041 -15.753 -12.559 1.00 12.55 H new ATOM 0 HG13 VAL A 84 16.193 -17.020 -13.043 1.00 12.55 H new ATOM 0 HG21 VAL A 84 14.068 -19.234 -13.364 1.00 3.23 H new ATOM 0 HG22 VAL A 84 15.614 -19.470 -12.514 1.00 3.23 H new ATOM 0 HG23 VAL A 84 14.079 -19.818 -11.683 1.00 3.23 H new ATOM 1326 N LEU A 85 14.031 -15.810 -9.432 1.00 20.34 N ATOM 1327 CA LEU A 85 13.828 -14.456 -8.929 1.00 70.01 C ATOM 1328 C LEU A 85 14.815 -14.135 -7.812 1.00 5.44 C ATOM 1329 O LEU A 85 15.567 -13.164 -7.894 1.00 31.43 O ATOM 1330 CB LEU A 85 12.395 -14.291 -8.420 1.00 55.50 C ATOM 1331 CG LEU A 85 11.761 -12.916 -8.635 1.00 60.44 C ATOM 1332 CD1 LEU A 85 10.568 -13.018 -9.572 1.00 11.44 C ATOM 1333 CD2 LEU A 85 11.345 -12.307 -7.303 1.00 53.41 C ATOM 0 H LEU A 85 13.255 -16.447 -9.252 1.00 20.34 H new ATOM 0 HA LEU A 85 13.999 -13.761 -9.751 1.00 70.01 H new ATOM 0 HB2 LEU A 85 11.769 -15.038 -8.908 1.00 55.50 H new ATOM 0 HB3 LEU A 85 12.382 -14.512 -7.353 1.00 55.50 H new ATOM 0 HG LEU A 85 12.503 -12.263 -9.095 1.00 60.44 H new ATOM 0 HD11 LEU A 85 10.130 -12.030 -9.713 1.00 11.44 H new ATOM 0 HD12 LEU A 85 10.894 -13.411 -10.535 1.00 11.44 H new ATOM 0 HD13 LEU A 85 9.823 -13.687 -9.141 1.00 11.44 H new ATOM 0 HD21 LEU A 85 10.896 -11.329 -7.475 1.00 53.41 H new ATOM 0 HD22 LEU A 85 10.620 -12.959 -6.816 1.00 53.41 H new ATOM 0 HD23 LEU A 85 12.221 -12.197 -6.664 1.00 53.41 H new ATOM 1345 N TYR A 86 14.811 -14.960 -6.771 1.00 62.34 N ATOM 1346 CA TYR A 86 15.707 -14.765 -5.637 1.00 43.13 C ATOM 1347 C TYR A 86 17.152 -14.621 -6.103 1.00 31.34 C ATOM 1348 O TYR A 86 17.873 -13.725 -5.662 1.00 34.42 O ATOM 1349 CB TYR A 86 15.590 -15.935 -4.660 1.00 45.24 C ATOM 1350 CG TYR A 86 16.626 -15.911 -3.559 1.00 5.32 C ATOM 1351 CD1 TYR A 86 16.436 -15.147 -2.414 1.00 14.43 C ATOM 1352 CD2 TYR A 86 17.796 -16.655 -3.663 1.00 11.01 C ATOM 1353 CE1 TYR A 86 17.380 -15.121 -1.407 1.00 41.44 C ATOM 1354 CE2 TYR A 86 18.745 -16.637 -2.660 1.00 63.44 C ATOM 1355 CZ TYR A 86 18.533 -15.868 -1.534 1.00 64.41 C ATOM 1356 OH TYR A 86 19.476 -15.847 -0.531 1.00 31.01 O ATOM 0 H TYR A 86 14.197 -15.770 -6.689 1.00 62.34 H new ATOM 0 HA TYR A 86 15.414 -13.846 -5.130 1.00 43.13 H new ATOM 0 HB2 TYR A 86 14.596 -15.926 -4.212 1.00 45.24 H new ATOM 0 HB3 TYR A 86 15.682 -16.870 -5.213 1.00 45.24 H new ATOM 0 HD1 TYR A 86 15.534 -14.563 -2.310 1.00 14.43 H new ATOM 0 HD2 TYR A 86 17.965 -17.257 -4.543 1.00 11.01 H new ATOM 0 HE1 TYR A 86 17.217 -14.519 -0.525 1.00 41.44 H new ATOM 0 HE2 TYR A 86 19.648 -17.221 -2.756 1.00 63.44 H new ATOM 0 HH TYR A 86 20.227 -16.427 -0.776 1.00 31.01 H new ATOM 1366 N CYS A 87 17.570 -15.509 -6.999 1.00 12.12 N ATOM 1367 CA CYS A 87 18.930 -15.481 -7.527 1.00 52.43 C ATOM 1368 C CYS A 87 19.275 -14.098 -8.068 1.00 14.52 C ATOM 1369 O CYS A 87 20.392 -13.611 -7.890 1.00 12.31 O ATOM 1370 CB CYS A 87 19.091 -16.529 -8.629 1.00 3.03 C ATOM 1371 SG CYS A 87 19.555 -18.169 -8.026 1.00 50.31 S ATOM 0 H CYS A 87 16.987 -16.257 -7.375 1.00 12.12 H new ATOM 0 HA CYS A 87 19.616 -15.712 -6.712 1.00 52.43 H new ATOM 0 HB2 CYS A 87 18.154 -16.608 -9.180 1.00 3.03 H new ATOM 0 HB3 CYS A 87 19.848 -16.186 -9.334 1.00 3.03 H new ATOM 0 HG CYS A 87 20.070 -18.860 -9.000 1.00 50.31 H new ATOM 1377 N VAL A 88 18.310 -13.470 -8.733 1.00 42.24 N ATOM 1378 CA VAL A 88 18.512 -12.143 -9.301 1.00 33.20 C ATOM 1379 C VAL A 88 18.828 -11.122 -8.214 1.00 33.20 C ATOM 1380 O VAL A 88 19.692 -10.262 -8.387 1.00 1.21 O ATOM 1381 CB VAL A 88 17.272 -11.674 -10.086 1.00 20.30 C ATOM 1382 CG1 VAL A 88 17.507 -10.294 -10.681 1.00 11.02 C ATOM 1383 CG2 VAL A 88 16.919 -12.679 -11.173 1.00 64.45 C ATOM 0 H VAL A 88 17.381 -13.859 -8.891 1.00 42.24 H new ATOM 0 HA VAL A 88 19.359 -12.216 -9.983 1.00 33.20 H new ATOM 0 HB VAL A 88 16.430 -11.607 -9.397 1.00 20.30 H new ATOM 0 HG11 VAL A 88 16.621 -9.979 -11.232 1.00 11.02 H new ATOM 0 HG12 VAL A 88 17.708 -9.582 -9.881 1.00 11.02 H new ATOM 0 HG13 VAL A 88 18.361 -10.330 -11.358 1.00 11.02 H new ATOM 0 HG21 VAL A 88 16.041 -12.332 -11.718 1.00 64.45 H new ATOM 0 HG22 VAL A 88 17.758 -12.779 -11.862 1.00 64.45 H new ATOM 0 HG23 VAL A 88 16.705 -13.646 -10.719 1.00 64.45 H new ATOM 1393 N HIS A 89 18.121 -11.222 -7.093 1.00 64.40 N ATOM 1394 CA HIS A 89 18.327 -10.307 -5.975 1.00 64.20 C ATOM 1395 C HIS A 89 19.614 -10.645 -5.228 1.00 63.41 C ATOM 1396 O HIS A 89 20.068 -9.788 -4.469 1.00 51.34 O ATOM 1397 CB HIS A 89 17.138 -10.365 -5.015 1.00 34.20 C ATOM 1398 CG HIS A 89 15.840 -9.967 -5.648 1.00 73.05 C ATOM 1399 ND1 HIS A 89 15.755 -9.078 -6.698 1.00 54.23 N ATOM 1400 CD2 HIS A 89 14.569 -10.343 -5.372 1.00 74.25 C ATOM 1401 CE1 HIS A 89 14.488 -8.925 -7.041 1.00 34.14 C ATOM 1402 NE2 HIS A 89 13.748 -9.682 -6.252 1.00 62.35 N ATOM 0 H HIS A 89 17.401 -11.927 -6.934 1.00 64.40 H new ATOM 0 HA HIS A 89 18.413 -9.297 -6.375 1.00 64.20 H new ATOM 0 HB2 HIS A 89 17.047 -11.378 -4.623 1.00 34.20 H new ATOM 0 HB3 HIS A 89 17.335 -9.711 -4.165 1.00 34.20 H new ATOM 0 HD1 HIS A 89 16.546 -8.611 -7.141 1.00 54.23 H new ATOM 0 HD2 HIS A 89 14.259 -11.034 -4.603 1.00 74.25 H new ATOM 0 HE1 HIS A 89 14.120 -8.289 -7.832 1.00 34.14 H new ATOM 0 HE2 HIS A 89 12.732 -9.763 -6.290 1.00 62.35 H new ATOM 1411 N GLN A 90 20.193 -11.826 -5.415 1.00 63.25 N ATOM 1412 CA GLN A 90 21.423 -12.193 -4.722 1.00 11.22 C ATOM 1413 C GLN A 90 22.630 -12.045 -5.641 1.00 1.02 C ATOM 1414 O GLN A 90 23.646 -12.716 -5.460 1.00 21.41 O ATOM 1415 CB GLN A 90 21.333 -13.630 -4.205 1.00 71.04 C ATOM 1416 CG GLN A 90 20.627 -13.752 -2.864 1.00 33.34 C ATOM 1417 CD GLN A 90 21.250 -12.874 -1.795 1.00 44.55 C ATOM 1418 OE1 GLN A 90 22.385 -12.418 -1.935 1.00 32.40 O ATOM 1419 NE2 GLN A 90 20.509 -12.636 -0.719 1.00 5.55 N ATOM 0 H GLN A 90 19.831 -12.546 -6.041 1.00 63.25 H new ATOM 0 HA GLN A 90 21.549 -11.518 -3.876 1.00 11.22 H new ATOM 0 HB2 GLN A 90 20.807 -14.239 -4.940 1.00 71.04 H new ATOM 0 HB3 GLN A 90 22.340 -14.038 -4.115 1.00 71.04 H new ATOM 0 HG2 GLN A 90 19.578 -13.483 -2.984 1.00 33.34 H new ATOM 0 HG3 GLN A 90 20.654 -14.791 -2.537 1.00 33.34 H new ATOM 0 HE21 GLN A 90 19.573 -13.035 -0.646 1.00 5.55 H new ATOM 0 HE22 GLN A 90 20.876 -12.054 0.034 1.00 5.55 H new ATOM 1428 N ARG A 91 22.512 -11.164 -6.629 1.00 53.14 N ATOM 1429 CA ARG A 91 23.593 -10.929 -7.578 1.00 23.04 C ATOM 1430 C ARG A 91 24.004 -12.228 -8.266 1.00 12.33 C ATOM 1431 O ARG A 91 25.152 -12.385 -8.683 1.00 53.24 O ATOM 1432 CB ARG A 91 24.799 -10.312 -6.867 1.00 3.20 C ATOM 1433 CG ARG A 91 25.288 -9.022 -7.505 1.00 32.22 C ATOM 1434 CD ARG A 91 26.654 -8.620 -6.972 1.00 4.44 C ATOM 1435 NE ARG A 91 27.192 -7.455 -7.669 1.00 14.42 N ATOM 1436 CZ ARG A 91 28.154 -6.683 -7.176 1.00 52.21 C ATOM 1437 NH1 ARG A 91 28.681 -6.952 -5.990 1.00 24.12 N1+ ATOM 1438 NH2 ARG A 91 28.591 -5.640 -7.870 1.00 51.30 N ATOM 0 H ARG A 91 21.678 -10.601 -6.793 1.00 53.14 H new ATOM 0 HA ARG A 91 23.233 -10.234 -8.337 1.00 23.04 H new ATOM 0 HB2 ARG A 91 24.536 -10.116 -5.827 1.00 3.20 H new ATOM 0 HB3 ARG A 91 25.614 -11.035 -6.859 1.00 3.20 H new ATOM 0 HG2 ARG A 91 25.341 -9.147 -8.587 1.00 32.22 H new ATOM 0 HG3 ARG A 91 24.571 -8.224 -7.311 1.00 32.22 H new ATOM 0 HD2 ARG A 91 26.578 -8.402 -5.907 1.00 4.44 H new ATOM 0 HD3 ARG A 91 27.345 -9.457 -7.077 1.00 4.44 H new ATOM 0 HE ARG A 91 26.808 -7.221 -8.585 1.00 14.42 H new ATOM 0 HH11 ARG A 91 28.348 -7.753 -5.454 1.00 24.12 H new ATOM 0 HH12 ARG A 91 29.420 -6.358 -5.613 1.00 24.12 H new ATOM 0 HH21 ARG A 91 28.188 -5.430 -8.783 1.00 51.30 H new ATOM 0 HH22 ARG A 91 29.330 -5.048 -7.490 1.00 51.30 H new ATOM 1452 N ILE A 92 23.059 -13.155 -8.380 1.00 43.44 N ATOM 1453 CA ILE A 92 23.322 -14.439 -9.017 1.00 21.15 C ATOM 1454 C ILE A 92 22.832 -14.447 -10.461 1.00 74.01 C ATOM 1455 O ILE A 92 21.679 -14.119 -10.738 1.00 54.35 O ATOM 1456 CB ILE A 92 22.651 -15.596 -8.253 1.00 65.52 C ATOM 1457 CG1 ILE A 92 22.967 -15.499 -6.759 1.00 42.54 C ATOM 1458 CG2 ILE A 92 23.108 -16.935 -8.811 1.00 24.35 C ATOM 1459 CD1 ILE A 92 22.328 -16.594 -5.935 1.00 63.41 C ATOM 0 H ILE A 92 22.104 -13.041 -8.039 1.00 43.44 H new ATOM 0 HA ILE A 92 24.402 -14.583 -9.001 1.00 21.15 H new ATOM 0 HB ILE A 92 21.571 -15.521 -8.383 1.00 65.52 H new ATOM 0 HG12 ILE A 92 24.048 -15.535 -6.621 1.00 42.54 H new ATOM 0 HG13 ILE A 92 22.630 -14.531 -6.387 1.00 42.54 H new ATOM 0 HG21 ILE A 92 22.625 -17.742 -8.261 1.00 24.35 H new ATOM 0 HG22 ILE A 92 22.837 -17.002 -9.865 1.00 24.35 H new ATOM 0 HG23 ILE A 92 24.190 -17.022 -8.708 1.00 24.35 H new ATOM 0 HD11 ILE A 92 22.595 -16.463 -4.886 1.00 63.41 H new ATOM 0 HD12 ILE A 92 21.244 -16.545 -6.043 1.00 63.41 H new ATOM 0 HD13 ILE A 92 22.684 -17.564 -6.281 1.00 63.41 H new ATOM 1471 N ASP A 93 23.716 -14.826 -11.378 1.00 60.22 N ATOM 1472 CA ASP A 93 23.373 -14.880 -12.795 1.00 74.13 C ATOM 1473 C ASP A 93 23.367 -16.319 -13.298 1.00 65.15 C ATOM 1474 O ASP A 93 24.411 -16.969 -13.368 1.00 73.45 O ATOM 1475 CB ASP A 93 24.359 -14.045 -13.613 1.00 70.43 C ATOM 1476 CG ASP A 93 23.923 -13.884 -15.056 1.00 24.41 C ATOM 1477 OD1 ASP A 93 22.716 -13.670 -15.292 1.00 41.41 O ATOM 1478 OD2 ASP A 93 24.791 -13.972 -15.950 1.00 65.13 O1- ATOM 0 H ASP A 93 24.675 -15.100 -11.166 1.00 60.22 H new ATOM 0 HA ASP A 93 22.372 -14.467 -12.917 1.00 74.13 H new ATOM 0 HB2 ASP A 93 24.464 -13.061 -13.156 1.00 70.43 H new ATOM 0 HB3 ASP A 93 25.341 -14.516 -13.584 1.00 70.43 H new ATOM 1483 N VAL A 94 22.183 -16.815 -13.647 1.00 20.12 N ATOM 1484 CA VAL A 94 22.041 -18.177 -14.144 1.00 44.12 C ATOM 1485 C VAL A 94 21.416 -18.194 -15.533 1.00 12.32 C ATOM 1486 O VAL A 94 21.048 -17.150 -16.073 1.00 54.52 O ATOM 1487 CB VAL A 94 21.181 -19.034 -13.195 1.00 54.33 C ATOM 1488 CG1 VAL A 94 21.867 -19.192 -11.848 1.00 72.04 C ATOM 1489 CG2 VAL A 94 19.799 -18.419 -13.030 1.00 13.22 C ATOM 0 H VAL A 94 21.309 -16.292 -13.594 1.00 20.12 H new ATOM 0 HA VAL A 94 23.044 -18.600 -14.196 1.00 44.12 H new ATOM 0 HB VAL A 94 21.064 -20.025 -13.633 1.00 54.33 H new ATOM 0 HG11 VAL A 94 21.244 -19.800 -11.192 1.00 72.04 H new ATOM 0 HG12 VAL A 94 22.832 -19.679 -11.986 1.00 72.04 H new ATOM 0 HG13 VAL A 94 22.017 -18.210 -11.399 1.00 72.04 H new ATOM 0 HG21 VAL A 94 19.204 -19.036 -12.357 1.00 13.22 H new ATOM 0 HG22 VAL A 94 19.894 -17.416 -12.614 1.00 13.22 H new ATOM 0 HG23 VAL A 94 19.307 -18.363 -14.001 1.00 13.22 H new ATOM 1499 N LYS A 95 21.298 -19.385 -16.110 1.00 54.15 N ATOM 1500 CA LYS A 95 20.715 -19.540 -17.437 1.00 13.01 C ATOM 1501 C LYS A 95 19.309 -20.126 -17.349 1.00 31.04 C ATOM 1502 O LYS A 95 18.367 -19.593 -17.935 1.00 50.01 O ATOM 1503 CB LYS A 95 21.600 -20.437 -18.304 1.00 12.35 C ATOM 1504 CG LYS A 95 22.962 -19.837 -18.609 1.00 52.21 C ATOM 1505 CD LYS A 95 23.843 -20.812 -19.373 1.00 61.53 C ATOM 1506 CE LYS A 95 23.675 -20.656 -20.876 1.00 63.24 C ATOM 1507 NZ LYS A 95 23.959 -21.925 -21.600 1.00 11.23 N1+ ATOM 0 H LYS A 95 21.599 -20.259 -15.678 1.00 54.15 H new ATOM 0 HA LYS A 95 20.650 -18.553 -17.895 1.00 13.01 H new ATOM 0 HB2 LYS A 95 21.738 -21.393 -17.799 1.00 12.35 H new ATOM 0 HB3 LYS A 95 21.085 -20.643 -19.242 1.00 12.35 H new ATOM 0 HG2 LYS A 95 22.836 -18.925 -19.192 1.00 52.21 H new ATOM 0 HG3 LYS A 95 23.453 -19.555 -17.678 1.00 52.21 H new ATOM 0 HD2 LYS A 95 24.887 -20.649 -19.104 1.00 61.53 H new ATOM 0 HD3 LYS A 95 23.595 -21.833 -19.082 1.00 61.53 H new ATOM 0 HE2 LYS A 95 22.658 -20.332 -21.096 1.00 63.24 H new ATOM 0 HE3 LYS A 95 24.344 -19.874 -21.237 1.00 63.24 H new ATOM 0 HZ1 LYS A 95 23.833 -21.777 -22.622 1.00 11.23 H new ATOM 0 HZ2 LYS A 95 24.938 -22.221 -21.411 1.00 11.23 H new ATOM 0 HZ3 LYS A 95 23.304 -22.665 -21.274 1.00 11.23 H new ATOM 1521 N ASP A 96 19.176 -21.224 -16.615 1.00 43.11 N ATOM 1522 CA ASP A 96 17.885 -21.881 -16.449 1.00 44.02 C ATOM 1523 C ASP A 96 17.507 -21.970 -14.973 1.00 12.33 C ATOM 1524 O ASP A 96 18.242 -21.502 -14.103 1.00 74.44 O ATOM 1525 CB ASP A 96 17.918 -23.280 -17.065 1.00 4.31 C ATOM 1526 CG ASP A 96 19.227 -23.999 -16.801 1.00 32.31 C ATOM 1527 OD1 ASP A 96 19.625 -24.093 -15.621 1.00 41.43 O ATOM 1528 OD2 ASP A 96 19.852 -24.467 -17.775 1.00 2.04 O1- ATOM 0 H ASP A 96 19.947 -21.679 -16.125 1.00 43.11 H new ATOM 0 HA ASP A 96 17.132 -21.284 -16.963 1.00 44.02 H new ATOM 0 HB2 ASP A 96 17.095 -23.870 -16.662 1.00 4.31 H new ATOM 0 HB3 ASP A 96 17.759 -23.204 -18.141 1.00 4.31 H new ATOM 1533 N THR A 97 16.355 -22.574 -14.698 1.00 61.12 N ATOM 1534 CA THR A 97 15.877 -22.723 -13.329 1.00 32.15 C ATOM 1535 C THR A 97 16.551 -23.902 -12.637 1.00 31.34 C ATOM 1536 O THR A 97 16.689 -23.921 -11.413 1.00 5.21 O ATOM 1537 CB THR A 97 14.351 -22.922 -13.285 1.00 73.13 C ATOM 1538 OG1 THR A 97 13.698 -21.855 -13.983 1.00 11.23 O ATOM 1539 CG2 THR A 97 13.853 -22.973 -11.849 1.00 4.41 C ATOM 0 H THR A 97 15.735 -22.968 -15.406 1.00 61.12 H new ATOM 0 HA THR A 97 16.131 -21.802 -12.804 1.00 32.15 H new ATOM 0 HB THR A 97 14.116 -23.870 -13.768 1.00 73.13 H new ATOM 0 HG1 THR A 97 14.041 -21.806 -14.900 1.00 11.23 H new ATOM 0 HG21 THR A 97 12.772 -23.114 -11.844 1.00 4.41 H new ATOM 0 HG22 THR A 97 14.330 -23.803 -11.328 1.00 4.41 H new ATOM 0 HG23 THR A 97 14.099 -22.038 -11.345 1.00 4.41 H new ATOM 1547 N LYS A 98 16.972 -24.885 -13.427 1.00 73.53 N ATOM 1548 CA LYS A 98 17.635 -26.067 -12.890 1.00 11.01 C ATOM 1549 C LYS A 98 18.950 -25.695 -12.214 1.00 73.21 C ATOM 1550 O LYS A 98 19.277 -26.213 -11.147 1.00 64.31 O ATOM 1551 CB LYS A 98 17.893 -27.083 -14.006 1.00 20.11 C ATOM 1552 CG LYS A 98 17.459 -28.496 -13.654 1.00 14.04 C ATOM 1553 CD LYS A 98 18.454 -29.168 -12.725 1.00 45.23 C ATOM 1554 CE LYS A 98 19.624 -29.763 -13.495 1.00 73.05 C ATOM 1555 NZ LYS A 98 19.312 -31.123 -14.013 1.00 14.35 N1+ ATOM 0 H LYS A 98 16.865 -24.886 -14.441 1.00 73.53 H new ATOM 0 HA LYS A 98 16.978 -26.513 -12.144 1.00 11.01 H new ATOM 0 HB2 LYS A 98 17.367 -26.764 -14.906 1.00 20.11 H new ATOM 0 HB3 LYS A 98 18.957 -27.087 -14.244 1.00 20.11 H new ATOM 0 HG2 LYS A 98 16.478 -28.469 -13.180 1.00 14.04 H new ATOM 0 HG3 LYS A 98 17.356 -29.084 -14.566 1.00 14.04 H new ATOM 0 HD2 LYS A 98 18.825 -28.442 -12.001 1.00 45.23 H new ATOM 0 HD3 LYS A 98 17.952 -29.953 -12.160 1.00 45.23 H new ATOM 0 HE2 LYS A 98 19.882 -29.108 -14.327 1.00 73.05 H new ATOM 0 HE3 LYS A 98 20.498 -29.813 -12.846 1.00 73.05 H new ATOM 0 HZ1 LYS A 98 20.134 -31.494 -14.531 1.00 14.35 H new ATOM 0 HZ2 LYS A 98 19.090 -31.755 -13.217 1.00 14.35 H new ATOM 0 HZ3 LYS A 98 18.494 -31.072 -14.653 1.00 14.35 H new ATOM 1569 N GLU A 99 19.698 -24.793 -12.841 1.00 34.34 N ATOM 1570 CA GLU A 99 20.977 -24.351 -12.297 1.00 23.15 C ATOM 1571 C GLU A 99 20.770 -23.415 -11.110 1.00 11.41 C ATOM 1572 O GLU A 99 21.410 -23.564 -10.070 1.00 42.52 O ATOM 1573 CB GLU A 99 21.800 -23.646 -13.378 1.00 11.53 C ATOM 1574 CG GLU A 99 23.122 -23.092 -12.873 1.00 12.30 C ATOM 1575 CD GLU A 99 24.079 -22.750 -13.999 1.00 42.25 C ATOM 1576 OE1 GLU A 99 23.736 -23.017 -15.170 1.00 44.11 O ATOM 1577 OE2 GLU A 99 25.169 -22.216 -13.709 1.00 30.40 O1- ATOM 0 H GLU A 99 19.441 -24.354 -13.725 1.00 34.34 H new ATOM 0 HA GLU A 99 21.519 -25.232 -11.953 1.00 23.15 H new ATOM 0 HB2 GLU A 99 21.996 -24.348 -14.189 1.00 11.53 H new ATOM 0 HB3 GLU A 99 21.211 -22.831 -13.797 1.00 11.53 H new ATOM 0 HG2 GLU A 99 22.934 -22.199 -12.277 1.00 12.30 H new ATOM 0 HG3 GLU A 99 23.590 -23.823 -12.213 1.00 12.30 H new ATOM 1584 N ALA A 100 19.871 -22.451 -11.274 1.00 75.31 N ATOM 1585 CA ALA A 100 19.578 -21.491 -10.216 1.00 54.41 C ATOM 1586 C ALA A 100 19.242 -22.201 -8.909 1.00 3.40 C ATOM 1587 O ALA A 100 19.528 -21.694 -7.824 1.00 73.13 O ATOM 1588 CB ALA A 100 18.433 -20.579 -10.633 1.00 1.10 C ATOM 0 H ALA A 100 19.333 -22.313 -12.129 1.00 75.31 H new ATOM 0 HA ALA A 100 20.469 -20.885 -10.052 1.00 54.41 H new ATOM 0 HB1 ALA A 100 18.225 -19.868 -9.834 1.00 1.10 H new ATOM 0 HB2 ALA A 100 18.710 -20.038 -11.538 1.00 1.10 H new ATOM 0 HB3 ALA A 100 17.543 -21.178 -10.826 1.00 1.10 H new ATOM 1594 N LEU A 101 18.633 -23.377 -9.020 1.00 5.34 N ATOM 1595 CA LEU A 101 18.258 -24.157 -7.846 1.00 54.25 C ATOM 1596 C LEU A 101 19.480 -24.815 -7.215 1.00 12.31 C ATOM 1597 O LEU A 101 19.554 -24.973 -5.996 1.00 74.11 O ATOM 1598 CB LEU A 101 17.229 -25.224 -8.226 1.00 0.53 C ATOM 1599 CG LEU A 101 15.815 -24.720 -8.515 1.00 52.34 C ATOM 1600 CD1 LEU A 101 14.987 -25.806 -9.184 1.00 4.43 C ATOM 1601 CD2 LEU A 101 15.144 -24.250 -7.232 1.00 34.01 C ATOM 0 H LEU A 101 18.389 -23.811 -9.910 1.00 5.34 H new ATOM 0 HA LEU A 101 17.817 -23.479 -7.116 1.00 54.25 H new ATOM 0 HB2 LEU A 101 17.592 -25.753 -9.107 1.00 0.53 H new ATOM 0 HB3 LEU A 101 17.175 -25.953 -7.417 1.00 0.53 H new ATOM 0 HG LEU A 101 15.885 -23.873 -9.197 1.00 52.34 H new ATOM 0 HD11 LEU A 101 13.984 -25.429 -9.382 1.00 4.43 H new ATOM 0 HD12 LEU A 101 15.458 -26.096 -10.124 1.00 4.43 H new ATOM 0 HD13 LEU A 101 14.925 -26.673 -8.527 1.00 4.43 H new ATOM 0 HD21 LEU A 101 14.138 -23.895 -7.456 1.00 34.01 H new ATOM 0 HD22 LEU A 101 15.087 -25.079 -6.527 1.00 34.01 H new ATOM 0 HD23 LEU A 101 15.726 -23.439 -6.793 1.00 34.01 H new ATOM 1613 N ASP A 102 20.439 -25.197 -8.052 1.00 52.10 N ATOM 1614 CA ASP A 102 21.660 -25.835 -7.576 1.00 10.25 C ATOM 1615 C ASP A 102 22.515 -24.850 -6.786 1.00 62.42 C ATOM 1616 O ASP A 102 23.049 -25.185 -5.728 1.00 22.52 O ATOM 1617 CB ASP A 102 22.461 -26.393 -8.754 1.00 44.44 C ATOM 1618 CG ASP A 102 21.855 -27.665 -9.316 1.00 73.15 C ATOM 1619 OD1 ASP A 102 20.840 -28.133 -8.760 1.00 73.33 O1- ATOM 1620 OD2 ASP A 102 22.395 -28.191 -10.311 1.00 64.25 O ATOM 0 H ASP A 102 20.394 -25.076 -9.064 1.00 52.10 H new ATOM 0 HA ASP A 102 21.379 -26.655 -6.916 1.00 10.25 H new ATOM 0 HB2 ASP A 102 22.515 -25.641 -9.541 1.00 44.44 H new ATOM 0 HB3 ASP A 102 23.483 -26.592 -8.433 1.00 44.44 H new ATOM 1625 N LYS A 103 22.642 -23.634 -7.306 1.00 11.04 N ATOM 1626 CA LYS A 103 23.432 -22.599 -6.650 1.00 71.30 C ATOM 1627 C LYS A 103 22.936 -22.355 -5.228 1.00 12.41 C ATOM 1628 O LYS A 103 23.711 -22.412 -4.273 1.00 44.22 O ATOM 1629 CB LYS A 103 23.372 -21.297 -7.452 1.00 25.04 C ATOM 1630 CG LYS A 103 24.739 -20.744 -7.817 1.00 21.51 C ATOM 1631 CD LYS A 103 24.937 -20.693 -9.322 1.00 41.03 C ATOM 1632 CE LYS A 103 26.111 -19.804 -9.700 1.00 12.54 C ATOM 1633 NZ LYS A 103 26.249 -19.665 -11.176 1.00 11.43 N1+ ATOM 0 H LYS A 103 22.207 -23.341 -8.181 1.00 11.04 H new ATOM 0 HA LYS A 103 24.465 -22.942 -6.602 1.00 71.30 H new ATOM 0 HB2 LYS A 103 22.803 -21.469 -8.366 1.00 25.04 H new ATOM 0 HB3 LYS A 103 22.829 -20.549 -6.874 1.00 25.04 H new ATOM 0 HG2 LYS A 103 24.850 -19.743 -7.401 1.00 21.51 H new ATOM 0 HG3 LYS A 103 25.515 -21.364 -7.368 1.00 21.51 H new ATOM 0 HD2 LYS A 103 25.105 -21.701 -9.702 1.00 41.03 H new ATOM 0 HD3 LYS A 103 24.029 -20.320 -9.797 1.00 41.03 H new ATOM 0 HE2 LYS A 103 25.979 -18.819 -9.253 1.00 12.54 H new ATOM 0 HE3 LYS A 103 27.030 -20.221 -9.287 1.00 12.54 H new ATOM 0 HZ1 LYS A 103 27.060 -19.052 -11.393 1.00 11.43 H new ATOM 0 HZ2 LYS A 103 26.401 -20.602 -11.600 1.00 11.43 H new ATOM 0 HZ3 LYS A 103 25.382 -19.244 -11.568 1.00 11.43 H new ATOM 1647 N ILE A 104 21.642 -22.086 -5.096 1.00 73.42 N ATOM 1648 CA ILE A 104 21.043 -21.837 -3.790 1.00 34.45 C ATOM 1649 C ILE A 104 21.294 -23.002 -2.840 1.00 60.13 C ATOM 1650 O ILE A 104 21.458 -22.809 -1.636 1.00 23.22 O ATOM 1651 CB ILE A 104 19.527 -21.598 -3.903 1.00 55.30 C ATOM 1652 CG1 ILE A 104 19.241 -20.430 -4.850 1.00 12.13 C ATOM 1653 CG2 ILE A 104 18.929 -21.330 -2.530 1.00 50.21 C ATOM 1654 CD1 ILE A 104 17.795 -20.345 -5.287 1.00 42.43 C ATOM 0 H ILE A 104 20.988 -22.035 -5.877 1.00 73.42 H new ATOM 0 HA ILE A 104 21.515 -20.939 -3.392 1.00 34.45 H new ATOM 0 HB ILE A 104 19.063 -22.496 -4.312 1.00 55.30 H new ATOM 0 HG12 ILE A 104 19.519 -19.498 -4.358 1.00 12.13 H new ATOM 0 HG13 ILE A 104 19.874 -20.525 -5.733 1.00 12.13 H new ATOM 0 HG21 ILE A 104 17.856 -21.163 -2.627 1.00 50.21 H new ATOM 0 HG22 ILE A 104 19.106 -22.189 -1.882 1.00 50.21 H new ATOM 0 HG23 ILE A 104 19.396 -20.446 -2.096 1.00 50.21 H new ATOM 0 HD11 ILE A 104 17.667 -19.494 -5.956 1.00 42.43 H new ATOM 0 HD12 ILE A 104 17.518 -21.261 -5.808 1.00 42.43 H new ATOM 0 HD13 ILE A 104 17.157 -20.218 -4.412 1.00 42.43 H new ATOM 1666 N GLU A 105 21.323 -24.212 -3.389 1.00 3.42 N ATOM 1667 CA GLU A 105 21.554 -25.408 -2.590 1.00 44.51 C ATOM 1668 C GLU A 105 23.011 -25.491 -2.143 1.00 64.24 C ATOM 1669 O GLU A 105 23.322 -26.091 -1.114 1.00 23.40 O ATOM 1670 CB GLU A 105 21.183 -26.662 -3.386 1.00 73.34 C ATOM 1671 CG GLU A 105 21.390 -27.955 -2.617 1.00 4.25 C ATOM 1672 CD GLU A 105 22.651 -28.687 -3.035 1.00 32.55 C ATOM 1673 OE1 GLU A 105 22.729 -29.112 -4.207 1.00 61.13 O ATOM 1674 OE2 GLU A 105 23.560 -28.834 -2.192 1.00 31.11 O1- ATOM 0 H GLU A 105 21.189 -24.389 -4.385 1.00 3.42 H new ATOM 0 HA GLU A 105 20.922 -25.348 -1.704 1.00 44.51 H new ATOM 0 HB2 GLU A 105 20.138 -26.593 -3.690 1.00 73.34 H new ATOM 0 HB3 GLU A 105 21.779 -26.692 -4.298 1.00 73.34 H new ATOM 0 HG2 GLU A 105 21.439 -27.735 -1.550 1.00 4.25 H new ATOM 0 HG3 GLU A 105 20.529 -28.606 -2.769 1.00 4.25 H new