USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 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= -0.536 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.604 K(o=-1.1,f=-1.8) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.179 K(o=-0.47,f=-2.4!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -0.293 USER MOD Set 3.1: A 57 CYS SG : rot 180:sc= -0.315 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.694 K(o=-1,f=-4.5!) USER MOD Set 4.1: A 29 TYR OH : rot 174:sc= 0.523 USER MOD Set 4.2: A 97 THR OG1 : rot 69:sc= 0.262 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 15 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.212) 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 X(o=0,f=0.053) 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= -2.34! C(o=-2.3!,f=-8!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.703 USER MOD Single : A 47 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot -25:sc= 1.59 USER MOD Single : A 54 SER OG : rot -122:sc= 0.0964 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.874 K(o=-0.87,f=-2.9!) USER MOD Single : A 81 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 87 CYS SG : rot 83:sc= 0.444 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.158) USER MOD Single : A 103 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.693) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.278 -5.081 -8.752 1.00 33.42 N ATOM 64 CA VAL A 7 9.878 -6.390 -8.531 1.00 3.13 C ATOM 65 C VAL A 7 11.250 -6.484 -9.190 1.00 2.24 C ATOM 66 O VAL A 7 12.273 -6.574 -8.509 1.00 34.32 O ATOM 67 CB VAL A 7 8.982 -7.519 -9.075 1.00 13.41 C ATOM 68 CG1 VAL A 7 9.602 -8.878 -8.789 1.00 13.13 C ATOM 69 CG2 VAL A 7 7.586 -7.424 -8.477 1.00 61.54 C ATOM 0 HA VAL A 7 9.986 -6.510 -7.453 1.00 3.13 H new ATOM 0 HB VAL A 7 8.899 -7.405 -10.156 1.00 13.41 H new ATOM 0 HG11 VAL A 7 8.955 -9.663 -9.181 1.00 13.13 H new ATOM 0 HG12 VAL A 7 10.579 -8.940 -9.268 1.00 13.13 H new ATOM 0 HG13 VAL A 7 9.717 -9.006 -7.713 1.00 13.13 H new ATOM 0 HG21 VAL A 7 6.966 -8.229 -8.872 1.00 61.54 H new ATOM 0 HG22 VAL A 7 7.648 -7.512 -7.392 1.00 61.54 H new ATOM 0 HG23 VAL A 7 7.143 -6.463 -8.738 1.00 61.54 H new ATOM 79 N LEU A 8 11.265 -6.462 -10.517 1.00 71.23 N ATOM 80 CA LEU A 8 12.512 -6.544 -11.270 1.00 52.13 C ATOM 81 C LEU A 8 12.797 -5.232 -11.995 1.00 43.24 C ATOM 82 O LEU A 8 12.062 -4.838 -12.899 1.00 34.03 O ATOM 83 CB LEU A 8 12.448 -7.694 -12.278 1.00 12.40 C ATOM 84 CG LEU A 8 12.212 -9.086 -11.693 1.00 51.10 C ATOM 85 CD1 LEU A 8 12.289 -10.142 -12.784 1.00 64.53 C ATOM 86 CD2 LEU A 8 13.218 -9.380 -10.591 1.00 40.24 C ATOM 0 H LEU A 8 10.428 -6.388 -11.095 1.00 71.23 H new ATOM 0 HA LEU A 8 13.322 -6.732 -10.565 1.00 52.13 H new ATOM 0 HB2 LEU A 8 11.652 -7.482 -12.991 1.00 12.40 H new ATOM 0 HB3 LEU A 8 13.382 -7.711 -12.839 1.00 12.40 H new ATOM 0 HG LEU A 8 11.212 -9.112 -11.259 1.00 51.10 H new ATOM 0 HD11 LEU A 8 12.119 -11.127 -12.350 1.00 64.53 H new ATOM 0 HD12 LEU A 8 11.528 -9.942 -13.539 1.00 64.53 H new ATOM 0 HD13 LEU A 8 13.275 -10.115 -13.247 1.00 64.53 H new ATOM 0 HD21 LEU A 8 13.034 -10.375 -10.187 1.00 40.24 H new ATOM 0 HD22 LEU A 8 14.228 -9.335 -10.999 1.00 40.24 H new ATOM 0 HD23 LEU A 8 13.114 -8.641 -9.797 1.00 40.24 H new ATOM 98 N SER A 9 13.873 -4.563 -11.592 1.00 53.24 N ATOM 99 CA SER A 9 14.256 -3.294 -12.203 1.00 23.14 C ATOM 100 C SER A 9 14.648 -3.491 -13.664 1.00 34.42 C ATOM 101 O SER A 9 14.485 -4.575 -14.222 1.00 32.14 O ATOM 102 CB SER A 9 15.416 -2.663 -11.431 1.00 51.05 C ATOM 103 OG SER A 9 16.663 -3.040 -11.990 1.00 2.20 O ATOM 0 H SER A 9 14.494 -4.877 -10.847 1.00 53.24 H new ATOM 0 HA SER A 9 13.396 -2.625 -12.164 1.00 23.14 H new ATOM 0 HB2 SER A 9 15.320 -1.577 -11.446 1.00 51.05 H new ATOM 0 HB3 SER A 9 15.373 -2.972 -10.387 1.00 51.05 H new ATOM 0 HG SER A 9 17.389 -2.623 -11.481 1.00 2.20 H new ATOM 109 N GLY A 10 15.166 -2.431 -14.279 1.00 20.43 N ATOM 110 CA GLY A 10 15.573 -2.507 -15.670 1.00 3.04 C ATOM 111 C GLY A 10 16.546 -3.641 -15.928 1.00 14.31 C ATOM 112 O GLY A 10 16.350 -4.438 -16.844 1.00 72.35 O ATOM 0 H GLY A 10 15.311 -1.522 -13.839 1.00 20.43 H new ATOM 0 HA2 GLY A 10 14.691 -2.639 -16.297 1.00 3.04 H new ATOM 0 HA3 GLY A 10 16.033 -1.563 -15.963 1.00 3.04 H new ATOM 116 N GLY A 11 17.599 -3.711 -15.119 1.00 70.12 N ATOM 117 CA GLY A 11 18.591 -4.758 -15.283 1.00 21.11 C ATOM 118 C GLY A 11 18.033 -6.136 -14.988 1.00 5.14 C ATOM 119 O GLY A 11 18.255 -7.078 -15.748 1.00 52.30 O ATOM 0 H GLY A 11 17.783 -3.062 -14.354 1.00 70.12 H new ATOM 0 HA2 GLY A 11 18.974 -4.735 -16.303 1.00 21.11 H new ATOM 0 HA3 GLY A 11 19.435 -4.562 -14.622 1.00 21.11 H new ATOM 123 N GLU A 12 17.310 -6.255 -13.878 1.00 54.44 N ATOM 124 CA GLU A 12 16.722 -7.530 -13.484 1.00 20.21 C ATOM 125 C GLU A 12 15.723 -8.015 -14.531 1.00 4.45 C ATOM 126 O GLU A 12 15.538 -9.219 -14.718 1.00 43.31 O ATOM 127 CB GLU A 12 16.031 -7.399 -12.125 1.00 25.02 C ATOM 128 CG GLU A 12 16.869 -6.677 -11.083 1.00 0.33 C ATOM 129 CD GLU A 12 16.251 -6.727 -9.700 1.00 33.51 C ATOM 130 OE1 GLU A 12 15.322 -5.934 -9.437 1.00 62.20 O ATOM 131 OE2 GLU A 12 16.694 -7.558 -8.880 1.00 21.41 O1- ATOM 0 H GLU A 12 17.118 -5.485 -13.237 1.00 54.44 H new ATOM 0 HA GLU A 12 17.525 -8.263 -13.406 1.00 20.21 H new ATOM 0 HB2 GLU A 12 15.090 -6.865 -12.255 1.00 25.02 H new ATOM 0 HB3 GLU A 12 15.784 -8.394 -11.755 1.00 25.02 H new ATOM 0 HG2 GLU A 12 17.863 -7.123 -11.049 1.00 0.33 H new ATOM 0 HG3 GLU A 12 16.997 -5.637 -11.382 1.00 0.33 H new ATOM 138 N LEU A 13 15.080 -7.072 -15.208 1.00 0.21 N ATOM 139 CA LEU A 13 14.098 -7.401 -16.236 1.00 62.12 C ATOM 140 C LEU A 13 14.763 -8.093 -17.422 1.00 21.02 C ATOM 141 O LEU A 13 14.359 -9.185 -17.823 1.00 2.20 O ATOM 142 CB LEU A 13 13.379 -6.137 -16.707 1.00 15.11 C ATOM 143 CG LEU A 13 12.070 -6.353 -17.468 1.00 22.45 C ATOM 144 CD1 LEU A 13 11.035 -7.015 -16.572 1.00 53.30 C ATOM 145 CD2 LEU A 13 11.543 -5.032 -18.010 1.00 4.13 C ATOM 0 H LEU A 13 15.220 -6.072 -15.064 1.00 0.21 H new ATOM 0 HA LEU A 13 13.369 -8.085 -15.801 1.00 62.12 H new ATOM 0 HB2 LEU A 13 13.171 -5.515 -15.836 1.00 15.11 H new ATOM 0 HB3 LEU A 13 14.059 -5.573 -17.346 1.00 15.11 H new ATOM 0 HG LEU A 13 12.267 -7.015 -18.311 1.00 22.45 H new ATOM 0 HD11 LEU A 13 10.110 -7.161 -17.130 1.00 53.30 H new ATOM 0 HD12 LEU A 13 11.411 -7.981 -16.234 1.00 53.30 H new ATOM 0 HD13 LEU A 13 10.841 -6.379 -15.709 1.00 53.30 H new ATOM 0 HD21 LEU A 13 10.611 -5.205 -18.548 1.00 4.13 H new ATOM 0 HD22 LEU A 13 11.362 -4.346 -17.183 1.00 4.13 H new ATOM 0 HD23 LEU A 13 12.278 -4.598 -18.688 1.00 4.13 H new ATOM 157 N ASP A 14 15.786 -7.452 -17.977 1.00 34.21 N ATOM 158 CA ASP A 14 16.510 -8.007 -19.114 1.00 70.22 C ATOM 159 C ASP A 14 16.964 -9.434 -18.827 1.00 31.31 C ATOM 160 O ASP A 14 16.717 -10.347 -19.614 1.00 75.35 O ATOM 161 CB ASP A 14 17.718 -7.133 -19.453 1.00 40.33 C ATOM 162 CG ASP A 14 17.531 -6.360 -20.744 1.00 61.21 C ATOM 163 OD1 ASP A 14 16.865 -5.304 -20.713 1.00 25.12 O ATOM 164 OD2 ASP A 14 18.052 -6.811 -21.785 1.00 74.42 O1- ATOM 0 H ASP A 14 16.132 -6.547 -17.658 1.00 34.21 H new ATOM 0 HA ASP A 14 15.833 -8.026 -19.968 1.00 70.22 H new ATOM 0 HB2 ASP A 14 17.897 -6.433 -18.637 1.00 40.33 H new ATOM 0 HB3 ASP A 14 18.605 -7.761 -19.534 1.00 40.33 H new ATOM 169 N LYS A 15 17.629 -9.620 -17.691 1.00 73.35 N ATOM 170 CA LYS A 15 18.118 -10.936 -17.298 1.00 60.00 C ATOM 171 C LYS A 15 16.959 -11.901 -17.071 1.00 23.25 C ATOM 172 O LYS A 15 17.026 -13.068 -17.460 1.00 73.41 O ATOM 173 CB LYS A 15 18.964 -10.829 -16.026 1.00 74.53 C ATOM 174 CG LYS A 15 20.334 -11.472 -16.152 1.00 53.31 C ATOM 175 CD LYS A 15 21.097 -11.422 -14.839 1.00 33.32 C ATOM 176 CE LYS A 15 21.987 -10.192 -14.758 1.00 1.25 C ATOM 177 NZ LYS A 15 21.290 -9.044 -14.114 1.00 54.12 N1+ ATOM 0 H LYS A 15 17.841 -8.876 -17.027 1.00 73.35 H new ATOM 0 HA LYS A 15 18.737 -11.323 -18.107 1.00 60.00 H new ATOM 0 HB2 LYS A 15 19.088 -9.777 -15.769 1.00 74.53 H new ATOM 0 HB3 LYS A 15 18.426 -11.297 -15.201 1.00 74.53 H new ATOM 0 HG2 LYS A 15 20.222 -12.509 -16.470 1.00 53.31 H new ATOM 0 HG3 LYS A 15 20.907 -10.961 -16.926 1.00 53.31 H new ATOM 0 HD2 LYS A 15 20.392 -11.418 -14.007 1.00 33.32 H new ATOM 0 HD3 LYS A 15 21.706 -12.320 -14.736 1.00 33.32 H new ATOM 0 HE2 LYS A 15 22.888 -10.432 -14.194 1.00 1.25 H new ATOM 0 HE3 LYS A 15 22.305 -9.907 -15.761 1.00 1.25 H new ATOM 0 HZ1 LYS A 15 21.422 -8.189 -14.692 1.00 54.12 H new ATOM 0 HZ2 LYS A 15 20.275 -9.255 -14.035 1.00 54.12 H new ATOM 0 HZ3 LYS A 15 21.686 -8.885 -13.165 1.00 54.12 H new ATOM 191 N TRP A 16 15.900 -11.409 -16.440 1.00 12.12 N ATOM 192 CA TRP A 16 14.725 -12.228 -16.163 1.00 43.34 C ATOM 193 C TRP A 16 14.185 -12.855 -17.443 1.00 71.14 C ATOM 194 O TRP A 16 14.025 -14.073 -17.528 1.00 11.31 O ATOM 195 CB TRP A 16 13.637 -11.386 -15.494 1.00 71.33 C ATOM 196 CG TRP A 16 12.351 -12.130 -15.292 1.00 63.03 C ATOM 197 CD1 TRP A 16 11.238 -12.071 -16.080 1.00 40.15 C ATOM 198 CD2 TRP A 16 12.047 -13.042 -14.231 1.00 72.34 C ATOM 199 NE1 TRP A 16 10.259 -12.892 -15.574 1.00 62.20 N ATOM 200 CE2 TRP A 16 10.731 -13.500 -14.441 1.00 13.04 C ATOM 201 CE3 TRP A 16 12.758 -13.519 -13.126 1.00 33.20 C ATOM 202 CZ2 TRP A 16 10.114 -14.408 -13.585 1.00 3.04 C ATOM 203 CZ3 TRP A 16 12.144 -14.420 -12.278 1.00 2.23 C ATOM 204 CH2 TRP A 16 10.833 -14.858 -12.511 1.00 4.53 C ATOM 0 H TRP A 16 15.830 -10.446 -16.110 1.00 12.12 H new ATOM 0 HA TRP A 16 15.022 -13.029 -15.486 1.00 43.34 H new ATOM 0 HB2 TRP A 16 14.001 -11.035 -14.528 1.00 71.33 H new ATOM 0 HB3 TRP A 16 13.446 -10.502 -16.103 1.00 71.33 H new ATOM 0 HD1 TRP A 16 11.141 -11.468 -16.970 1.00 40.15 H new ATOM 0 HE1 TRP A 16 9.332 -13.027 -15.977 1.00 62.20 H new ATOM 0 HE3 TRP A 16 13.769 -13.189 -12.939 1.00 33.20 H new ATOM 0 HZ2 TRP A 16 9.103 -14.745 -13.762 1.00 3.04 H new ATOM 0 HZ3 TRP A 16 12.684 -14.794 -11.420 1.00 2.23 H new ATOM 0 HH2 TRP A 16 10.382 -15.564 -11.830 1.00 4.53 H new ATOM 215 N GLU A 17 13.905 -12.017 -18.436 1.00 44.34 N ATOM 216 CA GLU A 17 13.383 -12.492 -19.711 1.00 73.15 C ATOM 217 C GLU A 17 14.339 -13.494 -20.353 1.00 53.00 C ATOM 218 O GLU A 17 13.927 -14.350 -21.136 1.00 22.34 O ATOM 219 CB GLU A 17 13.147 -11.316 -20.661 1.00 50.12 C ATOM 220 CG GLU A 17 11.927 -10.482 -20.307 1.00 21.54 C ATOM 221 CD GLU A 17 11.446 -9.630 -21.464 1.00 72.14 C ATOM 222 OE1 GLU A 17 12.166 -8.684 -21.845 1.00 42.23 O1- ATOM 223 OE2 GLU A 17 10.348 -9.909 -21.991 1.00 32.43 O ATOM 0 H GLU A 17 14.031 -11.006 -18.382 1.00 44.34 H new ATOM 0 HA GLU A 17 12.434 -12.993 -19.521 1.00 73.15 H new ATOM 0 HB2 GLU A 17 14.028 -10.675 -20.657 1.00 50.12 H new ATOM 0 HB3 GLU A 17 13.034 -11.697 -21.676 1.00 50.12 H new ATOM 0 HG2 GLU A 17 11.121 -11.142 -19.987 1.00 21.54 H new ATOM 0 HG3 GLU A 17 12.165 -9.838 -19.461 1.00 21.54 H new ATOM 230 N LYS A 18 15.619 -13.380 -20.016 1.00 51.12 N ATOM 231 CA LYS A 18 16.636 -14.274 -20.556 1.00 62.14 C ATOM 232 C LYS A 18 16.565 -15.644 -19.890 1.00 43.14 C ATOM 233 O LYS A 18 16.533 -16.673 -20.566 1.00 12.14 O ATOM 234 CB LYS A 18 18.029 -13.672 -20.363 1.00 4.51 C ATOM 235 CG LYS A 18 18.746 -13.366 -21.666 1.00 13.10 C ATOM 236 CD LYS A 18 18.723 -11.879 -21.979 1.00 44.33 C ATOM 237 CE LYS A 18 19.775 -11.125 -21.178 1.00 20.53 C ATOM 238 NZ LYS A 18 21.094 -11.112 -21.868 1.00 34.13 N1+ ATOM 0 H LYS A 18 15.977 -12.676 -19.370 1.00 51.12 H new ATOM 0 HA LYS A 18 16.446 -14.398 -21.622 1.00 62.14 H new ATOM 0 HB2 LYS A 18 17.941 -12.754 -19.782 1.00 4.51 H new ATOM 0 HB3 LYS A 18 18.636 -14.363 -19.778 1.00 4.51 H new ATOM 0 HG2 LYS A 18 19.779 -13.710 -21.604 1.00 13.10 H new ATOM 0 HG3 LYS A 18 18.275 -13.917 -22.480 1.00 13.10 H new ATOM 0 HD2 LYS A 18 18.897 -11.727 -23.044 1.00 44.33 H new ATOM 0 HD3 LYS A 18 17.736 -11.474 -21.757 1.00 44.33 H new ATOM 0 HE2 LYS A 18 19.441 -10.100 -21.014 1.00 20.53 H new ATOM 0 HE3 LYS A 18 19.883 -11.586 -20.196 1.00 20.53 H new ATOM 0 HZ1 LYS A 18 21.783 -10.589 -21.290 1.00 34.13 H new ATOM 0 HZ2 LYS A 18 21.425 -12.089 -22.002 1.00 34.13 H new ATOM 0 HZ3 LYS A 18 20.997 -10.649 -22.794 1.00 34.13 H new ATOM 252 N ILE A 19 16.541 -15.651 -18.562 1.00 12.52 N ATOM 253 CA ILE A 19 16.472 -16.894 -17.805 1.00 35.31 C ATOM 254 C ILE A 19 15.323 -17.771 -18.293 1.00 22.15 C ATOM 255 O ILE A 19 14.247 -17.274 -18.626 1.00 72.31 O ATOM 256 CB ILE A 19 16.295 -16.628 -16.298 1.00 15.10 C ATOM 257 CG1 ILE A 19 17.452 -15.779 -15.769 1.00 62.21 C ATOM 258 CG2 ILE A 19 16.201 -17.940 -15.535 1.00 32.40 C ATOM 259 CD1 ILE A 19 17.011 -14.652 -14.862 1.00 12.11 C ATOM 0 H ILE A 19 16.568 -14.809 -17.987 1.00 12.52 H new ATOM 0 HA ILE A 19 17.417 -17.413 -17.965 1.00 35.31 H new ATOM 0 HB ILE A 19 15.367 -16.077 -16.148 1.00 15.10 H new ATOM 0 HG12 ILE A 19 18.144 -16.422 -15.225 1.00 62.21 H new ATOM 0 HG13 ILE A 19 18.001 -15.361 -16.613 1.00 62.21 H new ATOM 0 HG21 ILE A 19 16.076 -17.734 -14.472 1.00 32.40 H new ATOM 0 HG22 ILE A 19 15.346 -18.511 -15.897 1.00 32.40 H new ATOM 0 HG23 ILE A 19 17.113 -18.516 -15.688 1.00 32.40 H new ATOM 0 HD11 ILE A 19 17.884 -14.093 -14.525 1.00 12.11 H new ATOM 0 HD12 ILE A 19 16.342 -13.986 -15.408 1.00 12.11 H new ATOM 0 HD13 ILE A 19 16.488 -15.063 -13.998 1.00 12.11 H new ATOM 271 N ARG A 20 15.558 -19.079 -18.330 1.00 11.14 N ATOM 272 CA ARG A 20 14.544 -20.025 -18.776 1.00 33.33 C ATOM 273 C ARG A 20 13.960 -20.795 -17.595 1.00 5.14 C ATOM 274 O ARG A 20 14.614 -20.958 -16.563 1.00 14.20 O ATOM 275 CB ARG A 20 15.139 -21.003 -19.792 1.00 21.00 C ATOM 276 CG ARG A 20 15.945 -20.326 -20.888 1.00 10.34 C ATOM 277 CD ARG A 20 16.582 -21.344 -21.820 1.00 60.03 C ATOM 278 NE ARG A 20 17.879 -20.895 -22.318 1.00 2.50 N ATOM 279 CZ ARG A 20 18.655 -21.624 -23.112 1.00 54.11 C ATOM 280 NH1 ARG A 20 18.266 -22.832 -23.498 1.00 2.13 N1+ ATOM 281 NH2 ARG A 20 19.822 -21.145 -23.524 1.00 63.43 N ATOM 0 H ARG A 20 16.442 -19.507 -18.056 1.00 11.14 H new ATOM 0 HA ARG A 20 13.742 -19.461 -19.252 1.00 33.33 H new ATOM 0 HB2 ARG A 20 15.779 -21.714 -19.268 1.00 21.00 H new ATOM 0 HB3 ARG A 20 14.332 -21.576 -20.248 1.00 21.00 H new ATOM 0 HG2 ARG A 20 15.297 -19.662 -21.461 1.00 10.34 H new ATOM 0 HG3 ARG A 20 16.721 -19.705 -20.440 1.00 10.34 H new ATOM 0 HD2 ARG A 20 16.704 -22.291 -21.294 1.00 60.03 H new ATOM 0 HD3 ARG A 20 15.916 -21.531 -22.662 1.00 60.03 H new ATOM 0 HE ARG A 20 18.207 -19.970 -22.041 1.00 2.50 H new ATOM 0 HH11 ARG A 20 17.369 -23.203 -23.185 1.00 2.13 H new ATOM 0 HH12 ARG A 20 18.864 -23.390 -24.108 1.00 2.13 H new ATOM 0 HH21 ARG A 20 20.124 -20.216 -23.231 1.00 63.43 H new ATOM 0 HH22 ARG A 20 20.417 -21.706 -24.134 1.00 63.43 H new ATOM 295 N LEU A 21 12.729 -21.265 -17.751 1.00 72.32 N ATOM 296 CA LEU A 21 12.056 -22.018 -16.698 1.00 12.34 C ATOM 297 C LEU A 21 12.684 -23.398 -16.529 1.00 75.45 C ATOM 298 O LEU A 21 12.734 -23.937 -15.424 1.00 0.44 O ATOM 299 CB LEU A 21 10.566 -22.156 -17.014 1.00 41.13 C ATOM 300 CG LEU A 21 9.836 -20.865 -17.385 1.00 32.54 C ATOM 301 CD1 LEU A 21 8.885 -21.105 -18.547 1.00 62.23 C ATOM 302 CD2 LEU A 21 9.082 -20.315 -16.183 1.00 2.43 C ATOM 0 H LEU A 21 12.175 -21.138 -18.598 1.00 72.32 H new ATOM 0 HA LEU A 21 12.172 -21.470 -15.763 1.00 12.34 H new ATOM 0 HB2 LEU A 21 10.453 -22.863 -17.836 1.00 41.13 H new ATOM 0 HB3 LEU A 21 10.070 -22.594 -16.148 1.00 41.13 H new ATOM 0 HG LEU A 21 10.577 -20.127 -17.694 1.00 32.54 H new ATOM 0 HD11 LEU A 21 8.374 -20.175 -18.797 1.00 62.23 H new ATOM 0 HD12 LEU A 21 9.449 -21.454 -19.412 1.00 62.23 H new ATOM 0 HD13 LEU A 21 8.149 -21.859 -18.266 1.00 62.23 H new ATOM 0 HD21 LEU A 21 8.568 -19.396 -16.465 1.00 2.43 H new ATOM 0 HD22 LEU A 21 8.352 -21.050 -15.844 1.00 2.43 H new ATOM 0 HD23 LEU A 21 9.785 -20.105 -15.377 1.00 2.43 H new ATOM 314 N ARG A 22 13.162 -23.963 -17.633 1.00 73.32 N ATOM 315 CA ARG A 22 13.786 -25.280 -17.608 1.00 21.21 C ATOM 316 C ARG A 22 15.122 -25.262 -18.344 1.00 41.15 C ATOM 317 O ARG A 22 15.375 -24.415 -19.202 1.00 61.23 O ATOM 318 CB ARG A 22 12.858 -26.321 -18.236 1.00 52.30 C ATOM 319 CG ARG A 22 12.031 -27.093 -17.221 1.00 43.41 C ATOM 320 CD ARG A 22 10.750 -26.355 -16.870 1.00 22.34 C ATOM 321 NE ARG A 22 9.594 -27.248 -16.840 1.00 43.25 N ATOM 322 CZ ARG A 22 8.432 -26.929 -16.282 1.00 2.20 C ATOM 323 NH1 ARG A 22 8.272 -25.744 -15.710 1.00 33.32 N1+ ATOM 324 NH2 ARG A 22 7.428 -27.795 -16.296 1.00 22.32 N ATOM 0 H ARG A 22 13.129 -23.529 -18.556 1.00 73.32 H new ATOM 0 HA ARG A 22 13.968 -25.548 -16.567 1.00 21.21 H new ATOM 0 HB2 ARG A 22 12.186 -25.822 -18.935 1.00 52.30 H new ATOM 0 HB3 ARG A 22 13.455 -27.025 -18.816 1.00 52.30 H new ATOM 0 HG2 ARG A 22 11.787 -28.077 -17.622 1.00 43.41 H new ATOM 0 HG3 ARG A 22 12.619 -27.253 -16.317 1.00 43.41 H new ATOM 0 HD2 ARG A 22 10.863 -25.875 -15.898 1.00 22.34 H new ATOM 0 HD3 ARG A 22 10.577 -25.563 -17.598 1.00 22.34 H new ATOM 0 HE ARG A 22 9.685 -28.168 -17.272 1.00 43.25 H new ATOM 0 HH11 ARG A 22 9.042 -25.075 -15.698 1.00 33.32 H new ATOM 0 HH12 ARG A 22 7.379 -25.501 -15.282 1.00 33.32 H new ATOM 0 HH21 ARG A 22 7.548 -28.708 -16.736 1.00 22.32 H new ATOM 0 HH22 ARG A 22 6.536 -27.549 -15.867 1.00 22.32 H new ATOM 338 N PRO A 23 15.999 -26.219 -18.005 1.00 21.43 N ATOM 339 CA PRO A 23 17.323 -26.335 -18.622 1.00 52.42 C ATOM 340 C PRO A 23 17.247 -26.786 -20.077 1.00 55.54 C ATOM 341 O PRO A 23 18.064 -26.385 -20.905 1.00 2.52 O ATOM 342 CB PRO A 23 18.021 -27.397 -17.770 1.00 30.43 C ATOM 343 CG PRO A 23 16.911 -28.211 -17.197 1.00 41.14 C ATOM 344 CD PRO A 23 15.764 -27.261 -16.992 1.00 23.32 C ATOM 0 HA PRO A 23 17.845 -25.379 -18.647 1.00 52.42 H new ATOM 0 HB2 PRO A 23 18.692 -28.010 -18.372 1.00 30.43 H new ATOM 0 HB3 PRO A 23 18.624 -26.941 -16.985 1.00 30.43 H new ATOM 0 HG2 PRO A 23 16.632 -29.020 -17.872 1.00 41.14 H new ATOM 0 HG3 PRO A 23 17.210 -28.671 -16.255 1.00 41.14 H new ATOM 0 HD2 PRO A 23 14.803 -27.754 -17.138 1.00 23.32 H new ATOM 0 HD3 PRO A 23 15.760 -26.847 -15.984 1.00 23.32 H new ATOM 352 N GLY A 24 16.258 -27.621 -20.383 1.00 5.42 N ATOM 353 CA GLY A 24 16.094 -28.112 -21.738 1.00 55.21 C ATOM 354 C GLY A 24 14.901 -27.492 -22.439 1.00 10.13 C ATOM 355 O GLY A 24 14.815 -27.508 -23.665 1.00 54.11 O ATOM 0 H GLY A 24 15.568 -27.966 -19.716 1.00 5.42 H new ATOM 0 HA2 GLY A 24 16.998 -27.901 -22.310 1.00 55.21 H new ATOM 0 HA3 GLY A 24 15.976 -29.195 -21.717 1.00 55.21 H new ATOM 359 N GLY A 25 13.975 -26.945 -21.655 1.00 62.23 N ATOM 360 CA GLY A 25 12.793 -26.327 -22.225 1.00 53.03 C ATOM 361 C GLY A 25 13.130 -25.303 -23.291 1.00 71.23 C ATOM 362 O GLY A 25 14.289 -24.920 -23.450 1.00 12.40 O ATOM 0 H GLY A 25 14.023 -26.919 -20.636 1.00 62.23 H new ATOM 0 HA2 GLY A 25 12.155 -27.099 -22.656 1.00 53.03 H new ATOM 0 HA3 GLY A 25 12.220 -25.846 -21.432 1.00 53.03 H new ATOM 366 N LYS A 26 12.115 -24.859 -24.025 1.00 23.23 N ATOM 367 CA LYS A 26 12.308 -23.874 -25.082 1.00 0.24 C ATOM 368 C LYS A 26 11.490 -22.615 -24.808 1.00 61.44 C ATOM 369 O LYS A 26 11.121 -21.889 -25.732 1.00 44.11 O ATOM 370 CB LYS A 26 11.916 -24.466 -26.438 1.00 32.32 C ATOM 371 CG LYS A 26 12.580 -23.777 -27.617 1.00 71.30 C ATOM 372 CD LYS A 26 13.167 -24.785 -28.591 1.00 52.24 C ATOM 373 CE LYS A 26 14.509 -25.311 -28.107 1.00 63.40 C ATOM 374 NZ LYS A 26 14.551 -26.800 -28.101 1.00 42.01 N1+ ATOM 0 H LYS A 26 11.150 -25.166 -23.907 1.00 23.23 H new ATOM 0 HA LYS A 26 13.363 -23.603 -25.103 1.00 0.24 H new ATOM 0 HB2 LYS A 26 12.177 -25.524 -26.452 1.00 32.32 H new ATOM 0 HB3 LYS A 26 10.834 -24.403 -26.553 1.00 32.32 H new ATOM 0 HG2 LYS A 26 11.851 -23.153 -28.133 1.00 71.30 H new ATOM 0 HG3 LYS A 26 13.368 -23.116 -27.257 1.00 71.30 H new ATOM 0 HD2 LYS A 26 12.474 -25.616 -28.718 1.00 52.24 H new ATOM 0 HD3 LYS A 26 13.289 -24.319 -29.569 1.00 52.24 H new ATOM 0 HE2 LYS A 26 15.302 -24.928 -28.749 1.00 63.40 H new ATOM 0 HE3 LYS A 26 14.704 -24.938 -27.102 1.00 63.40 H new ATOM 0 HZ1 LYS A 26 15.482 -27.120 -27.765 1.00 42.01 H new ATOM 0 HZ2 LYS A 26 13.810 -27.166 -27.469 1.00 42.01 H new ATOM 0 HZ3 LYS A 26 14.390 -27.156 -29.065 1.00 42.01 H new ATOM 388 N LYS A 27 11.210 -22.363 -23.535 1.00 11.11 N ATOM 389 CA LYS A 27 10.439 -21.190 -23.139 1.00 71.42 C ATOM 390 C LYS A 27 11.172 -20.392 -22.066 1.00 24.32 C ATOM 391 O LYS A 27 11.556 -20.935 -21.030 1.00 65.14 O ATOM 392 CB LYS A 27 9.061 -21.613 -22.623 1.00 11.40 C ATOM 393 CG LYS A 27 8.100 -22.029 -23.723 1.00 65.33 C ATOM 394 CD LYS A 27 6.984 -22.908 -23.185 1.00 34.30 C ATOM 395 CE LYS A 27 6.961 -24.264 -23.872 1.00 32.23 C ATOM 396 NZ LYS A 27 5.658 -24.961 -23.683 1.00 13.45 N1+ ATOM 0 H LYS A 27 11.505 -22.955 -22.759 1.00 11.11 H new ATOM 0 HA LYS A 27 10.314 -20.555 -24.016 1.00 71.42 H new ATOM 0 HB2 LYS A 27 9.182 -22.442 -21.926 1.00 11.40 H new ATOM 0 HB3 LYS A 27 8.623 -20.787 -22.063 1.00 11.40 H new ATOM 0 HG2 LYS A 27 7.673 -21.141 -24.189 1.00 65.33 H new ATOM 0 HG3 LYS A 27 8.645 -22.566 -24.500 1.00 65.33 H new ATOM 0 HD2 LYS A 27 7.113 -23.045 -22.111 1.00 34.30 H new ATOM 0 HD3 LYS A 27 6.025 -22.410 -23.329 1.00 34.30 H new ATOM 0 HE2 LYS A 27 7.152 -24.134 -24.937 1.00 32.23 H new ATOM 0 HE3 LYS A 27 7.765 -24.885 -23.477 1.00 32.23 H new ATOM 0 HZ1 LYS A 27 5.683 -25.881 -24.167 1.00 13.45 H new ATOM 0 HZ2 LYS A 27 5.487 -25.108 -22.668 1.00 13.45 H new ATOM 0 HZ3 LYS A 27 4.893 -24.381 -24.083 1.00 13.45 H new ATOM 410 N GLN A 28 11.363 -19.102 -22.321 1.00 74.10 N ATOM 411 CA GLN A 28 12.050 -18.230 -21.376 1.00 65.02 C ATOM 412 C GLN A 28 11.088 -17.719 -20.309 1.00 25.04 C ATOM 413 O GLN A 28 9.905 -18.060 -20.309 1.00 63.12 O ATOM 414 CB GLN A 28 12.690 -17.050 -22.111 1.00 24.44 C ATOM 415 CG GLN A 28 13.433 -17.451 -23.374 1.00 43.42 C ATOM 416 CD GLN A 28 14.273 -16.323 -23.939 1.00 53.43 C ATOM 417 OE1 GLN A 28 15.301 -15.954 -23.370 1.00 42.34 O ATOM 418 NE2 GLN A 28 13.840 -15.768 -25.065 1.00 10.43 N ATOM 0 H GLN A 28 11.052 -18.638 -23.174 1.00 74.10 H new ATOM 0 HA GLN A 28 12.832 -18.811 -20.886 1.00 65.02 H new ATOM 0 HB2 GLN A 28 11.914 -16.330 -22.369 1.00 24.44 H new ATOM 0 HB3 GLN A 28 13.382 -16.545 -21.437 1.00 24.44 H new ATOM 0 HG2 GLN A 28 14.076 -18.304 -23.158 1.00 43.42 H new ATOM 0 HG3 GLN A 28 12.714 -17.776 -24.126 1.00 43.42 H new ATOM 0 HE21 GLN A 28 12.983 -16.105 -25.503 1.00 10.43 H new ATOM 0 HE22 GLN A 28 14.365 -15.005 -25.492 1.00 10.43 H new ATOM 427 N TYR A 29 11.604 -16.900 -19.399 1.00 11.21 N ATOM 428 CA TYR A 29 10.792 -16.343 -18.323 1.00 32.31 C ATOM 429 C TYR A 29 10.081 -15.072 -18.778 1.00 52.32 C ATOM 430 O TYR A 29 10.579 -14.341 -19.636 1.00 31.41 O ATOM 431 CB TYR A 29 11.661 -16.046 -17.100 1.00 72.30 C ATOM 432 CG TYR A 29 11.607 -17.125 -16.043 1.00 2.51 C ATOM 433 CD1 TYR A 29 10.525 -17.223 -15.176 1.00 41.24 C ATOM 434 CD2 TYR A 29 12.640 -18.044 -15.908 1.00 33.42 C ATOM 435 CE1 TYR A 29 10.473 -18.206 -14.207 1.00 75.02 C ATOM 436 CE2 TYR A 29 12.595 -19.032 -14.942 1.00 53.15 C ATOM 437 CZ TYR A 29 11.509 -19.109 -14.096 1.00 12.44 C ATOM 438 OH TYR A 29 11.461 -20.090 -13.132 1.00 3.32 O ATOM 0 H TYR A 29 12.581 -16.607 -19.385 1.00 11.21 H new ATOM 0 HA TYR A 29 10.038 -17.082 -18.052 1.00 32.31 H new ATOM 0 HB2 TYR A 29 12.694 -15.916 -17.422 1.00 72.30 H new ATOM 0 HB3 TYR A 29 11.343 -15.101 -16.659 1.00 72.30 H new ATOM 0 HD1 TYR A 29 9.711 -16.518 -15.261 1.00 41.24 H new ATOM 0 HD2 TYR A 29 13.492 -17.986 -16.569 1.00 33.42 H new ATOM 0 HE1 TYR A 29 9.626 -18.267 -13.540 1.00 75.02 H new ATOM 0 HE2 TYR A 29 13.406 -19.739 -14.851 1.00 53.15 H new ATOM 0 HH TYR A 29 12.220 -20.699 -13.247 1.00 3.32 H new ATOM 448 N LYS A 30 8.915 -14.813 -18.197 1.00 43.22 N ATOM 449 CA LYS A 30 8.135 -13.629 -18.539 1.00 24.44 C ATOM 450 C LYS A 30 7.341 -13.135 -17.335 1.00 20.45 C ATOM 451 O LYS A 30 7.225 -13.832 -16.326 1.00 0.45 O ATOM 452 CB LYS A 30 7.185 -13.937 -19.699 1.00 64.42 C ATOM 453 CG LYS A 30 7.585 -13.273 -21.005 1.00 1.12 C ATOM 454 CD LYS A 30 6.546 -12.260 -21.456 1.00 24.13 C ATOM 455 CE LYS A 30 7.128 -11.272 -22.455 1.00 41.22 C ATOM 456 NZ LYS A 30 6.914 -9.862 -22.030 1.00 74.12 N1+ ATOM 0 H LYS A 30 8.489 -15.408 -17.486 1.00 43.22 H new ATOM 0 HA LYS A 30 8.827 -12.843 -18.843 1.00 24.44 H new ATOM 0 HB2 LYS A 30 7.144 -15.016 -19.847 1.00 64.42 H new ATOM 0 HB3 LYS A 30 6.179 -13.614 -19.430 1.00 64.42 H new ATOM 0 HG2 LYS A 30 8.548 -12.778 -20.882 1.00 1.12 H new ATOM 0 HG3 LYS A 30 7.713 -14.033 -21.776 1.00 1.12 H new ATOM 0 HD2 LYS A 30 5.701 -12.780 -21.907 1.00 24.13 H new ATOM 0 HD3 LYS A 30 6.163 -11.720 -20.590 1.00 24.13 H new ATOM 0 HE2 LYS A 30 8.196 -11.458 -22.570 1.00 41.22 H new ATOM 0 HE3 LYS A 30 6.670 -11.430 -23.431 1.00 41.22 H new ATOM 0 HZ1 LYS A 30 7.325 -9.220 -22.737 1.00 74.12 H new ATOM 0 HZ2 LYS A 30 5.894 -9.676 -21.945 1.00 74.12 H new ATOM 0 HZ3 LYS A 30 7.373 -9.703 -21.110 1.00 74.12 H new ATOM 470 N LEU A 31 6.793 -11.931 -17.448 1.00 32.24 N ATOM 471 CA LEU A 31 6.006 -11.344 -16.368 1.00 14.44 C ATOM 472 C LEU A 31 4.885 -12.283 -15.937 1.00 33.03 C ATOM 473 O LEU A 31 4.445 -12.257 -14.788 1.00 11.42 O ATOM 474 CB LEU A 31 5.421 -10.000 -16.809 1.00 32.45 C ATOM 475 CG LEU A 31 5.999 -8.760 -16.127 1.00 32.42 C ATOM 476 CD1 LEU A 31 7.341 -8.392 -16.739 1.00 53.21 C ATOM 477 CD2 LEU A 31 5.027 -7.593 -16.229 1.00 23.55 C ATOM 0 H LEU A 31 6.879 -11.341 -18.276 1.00 32.24 H new ATOM 0 HA LEU A 31 6.667 -11.184 -15.516 1.00 14.44 H new ATOM 0 HB2 LEU A 31 5.566 -9.899 -17.885 1.00 32.45 H new ATOM 0 HB3 LEU A 31 4.346 -10.019 -16.632 1.00 32.45 H new ATOM 0 HG LEU A 31 6.153 -8.988 -15.072 1.00 32.42 H new ATOM 0 HD11 LEU A 31 7.737 -7.507 -16.241 1.00 53.21 H new ATOM 0 HD12 LEU A 31 8.037 -9.221 -16.614 1.00 53.21 H new ATOM 0 HD13 LEU A 31 7.212 -8.183 -17.801 1.00 53.21 H new ATOM 0 HD21 LEU A 31 5.455 -6.719 -15.738 1.00 23.55 H new ATOM 0 HD22 LEU A 31 4.841 -7.365 -17.279 1.00 23.55 H new ATOM 0 HD23 LEU A 31 4.088 -7.858 -15.743 1.00 23.55 H new ATOM 489 N LYS A 32 4.428 -13.115 -16.867 1.00 34.41 N ATOM 490 CA LYS A 32 3.359 -14.067 -16.584 1.00 53.53 C ATOM 491 C LYS A 32 3.682 -14.893 -15.344 1.00 1.23 C ATOM 492 O LYS A 32 2.788 -15.256 -14.578 1.00 2.22 O ATOM 493 CB LYS A 32 3.142 -14.991 -17.784 1.00 20.02 C ATOM 494 CG LYS A 32 1.693 -15.077 -18.231 1.00 52.50 C ATOM 495 CD LYS A 32 1.545 -15.920 -19.487 1.00 53.40 C ATOM 496 CE LYS A 32 0.190 -16.609 -19.540 1.00 13.40 C ATOM 497 NZ LYS A 32 -0.535 -16.309 -20.805 1.00 54.45 N1+ ATOM 0 H LYS A 32 4.781 -13.150 -17.823 1.00 34.41 H new ATOM 0 HA LYS A 32 2.444 -13.505 -16.396 1.00 53.53 H new ATOM 0 HB2 LYS A 32 3.750 -14.639 -18.617 1.00 20.02 H new ATOM 0 HB3 LYS A 32 3.495 -15.991 -17.531 1.00 20.02 H new ATOM 0 HG2 LYS A 32 1.089 -15.506 -17.431 1.00 52.50 H new ATOM 0 HG3 LYS A 32 1.309 -14.074 -18.418 1.00 52.50 H new ATOM 0 HD2 LYS A 32 1.668 -15.288 -20.367 1.00 53.40 H new ATOM 0 HD3 LYS A 32 2.336 -16.669 -19.519 1.00 53.40 H new ATOM 0 HE2 LYS A 32 0.326 -17.686 -19.446 1.00 13.40 H new ATOM 0 HE3 LYS A 32 -0.414 -16.289 -18.691 1.00 13.40 H new ATOM 0 HZ1 LYS A 32 -1.454 -16.797 -20.803 1.00 54.45 H new ATOM 0 HZ2 LYS A 32 -0.688 -15.283 -20.883 1.00 54.45 H new ATOM 0 HZ3 LYS A 32 0.029 -16.637 -21.615 1.00 54.45 H new ATOM 511 N HIS A 33 4.963 -15.186 -15.150 1.00 2.50 N ATOM 512 CA HIS A 33 5.405 -15.967 -14.000 1.00 63.10 C ATOM 513 C HIS A 33 5.532 -15.086 -12.760 1.00 14.32 C ATOM 514 O HIS A 33 5.290 -15.605 -11.670 1.00 23.10 O ATOM 515 CB HIS A 33 6.744 -16.643 -14.298 1.00 30.22 C ATOM 516 CG HIS A 33 6.783 -17.333 -15.627 1.00 42.11 C ATOM 517 ND1 HIS A 33 7.653 -16.975 -16.636 1.00 13.45 N ATOM 518 CD2 HIS A 33 6.054 -18.365 -16.111 1.00 41.44 C ATOM 519 CE1 HIS A 33 7.456 -17.757 -17.682 1.00 60.00 C ATOM 520 NE2 HIS A 33 6.491 -18.610 -17.388 1.00 43.34 N ATOM 0 H HIS A 33 5.715 -14.894 -15.775 1.00 2.50 H new ATOM 0 HA HIS A 33 4.655 -16.734 -13.805 1.00 63.10 H new ATOM 0 HB2 HIS A 33 7.536 -15.894 -14.263 1.00 30.22 H new ATOM 0 HB3 HIS A 33 6.957 -17.370 -13.514 1.00 30.22 H new ATOM 0 HD2 HIS A 33 5.273 -18.897 -15.589 1.00 41.44 H new ATOM 0 HE1 HIS A 33 7.992 -17.708 -18.618 1.00 60.00 H new ATOM 0 HE2 HIS A 33 6.130 -19.333 -18.010 1.00 43.34 H new ATOM 528 N ILE A 34 5.892 -13.814 -12.893 1.00 34.44 N ATOM 529 CA ILE A 34 6.025 -12.934 -11.739 1.00 35.24 C ATOM 530 C ILE A 34 4.660 -12.591 -11.148 1.00 44.24 C ATOM 531 O ILE A 34 4.508 -12.485 -9.931 1.00 11.11 O ATOM 532 CB ILE A 34 6.755 -11.629 -12.106 1.00 41.10 C ATOM 533 CG1 ILE A 34 8.058 -11.939 -12.845 1.00 43.22 C ATOM 534 CG2 ILE A 34 7.031 -10.805 -10.858 1.00 24.25 C ATOM 535 CD1 ILE A 34 8.784 -10.706 -13.334 1.00 44.30 C ATOM 0 H ILE A 34 6.097 -13.370 -13.788 1.00 34.44 H new ATOM 0 HA ILE A 34 6.614 -13.474 -10.998 1.00 35.24 H new ATOM 0 HB ILE A 34 6.114 -11.046 -12.767 1.00 41.10 H new ATOM 0 HG12 ILE A 34 8.717 -12.500 -12.182 1.00 43.22 H new ATOM 0 HG13 ILE A 34 7.839 -12.583 -13.697 1.00 43.22 H new ATOM 0 HG21 ILE A 34 7.547 -9.886 -11.136 1.00 24.25 H new ATOM 0 HG22 ILE A 34 6.089 -10.558 -10.369 1.00 24.25 H new ATOM 0 HG23 ILE A 34 7.655 -11.379 -10.173 1.00 24.25 H new ATOM 0 HD11 ILE A 34 9.698 -11.002 -13.848 1.00 44.30 H new ATOM 0 HD12 ILE A 34 8.143 -10.155 -14.022 1.00 44.30 H new ATOM 0 HD13 ILE A 34 9.035 -10.071 -12.485 1.00 44.30 H new ATOM 547 N VAL A 35 3.672 -12.420 -12.020 1.00 30.45 N ATOM 548 CA VAL A 35 2.318 -12.092 -11.585 1.00 44.25 C ATOM 549 C VAL A 35 1.613 -13.318 -11.013 1.00 14.44 C ATOM 550 O VAL A 35 0.899 -13.224 -10.014 1.00 61.01 O ATOM 551 CB VAL A 35 1.479 -11.525 -12.744 1.00 75.43 C ATOM 552 CG1 VAL A 35 0.064 -11.217 -12.279 1.00 11.45 C ATOM 553 CG2 VAL A 35 2.141 -10.283 -13.323 1.00 73.44 C ATOM 0 H VAL A 35 3.782 -12.503 -13.031 1.00 30.45 H new ATOM 0 HA VAL A 35 2.409 -11.333 -10.808 1.00 44.25 H new ATOM 0 HB VAL A 35 1.421 -12.278 -13.530 1.00 75.43 H new ATOM 0 HG11 VAL A 35 -0.514 -10.817 -13.112 1.00 11.45 H new ATOM 0 HG12 VAL A 35 -0.407 -12.131 -11.916 1.00 11.45 H new ATOM 0 HG13 VAL A 35 0.097 -10.482 -11.475 1.00 11.45 H new ATOM 0 HG21 VAL A 35 1.534 -9.895 -14.141 1.00 73.44 H new ATOM 0 HG22 VAL A 35 2.231 -9.523 -12.547 1.00 73.44 H new ATOM 0 HG23 VAL A 35 3.132 -10.540 -13.696 1.00 73.44 H new ATOM 563 N TRP A 36 1.817 -14.463 -11.652 1.00 45.33 N ATOM 564 CA TRP A 36 1.201 -15.708 -11.206 1.00 51.41 C ATOM 565 C TRP A 36 1.625 -16.045 -9.781 1.00 31.13 C ATOM 566 O TRP A 36 0.785 -16.206 -8.896 1.00 63.43 O ATOM 567 CB TRP A 36 1.577 -16.853 -12.148 1.00 24.13 C ATOM 568 CG TRP A 36 1.092 -18.191 -11.678 1.00 13.00 C ATOM 569 CD1 TRP A 36 -0.171 -18.695 -11.804 1.00 54.15 C ATOM 570 CD2 TRP A 36 1.860 -19.195 -11.006 1.00 51.55 C ATOM 571 NE1 TRP A 36 -0.234 -19.951 -11.252 1.00 30.12 N ATOM 572 CE2 TRP A 36 1.000 -20.281 -10.756 1.00 74.43 C ATOM 573 CE3 TRP A 36 3.192 -19.282 -10.594 1.00 1.34 C ATOM 574 CZ2 TRP A 36 1.429 -21.437 -10.111 1.00 4.01 C ATOM 575 CZ3 TRP A 36 3.618 -20.431 -9.953 1.00 34.33 C ATOM 576 CH2 TRP A 36 2.738 -21.496 -9.718 1.00 45.22 C ATOM 0 H TRP A 36 2.404 -14.556 -12.481 1.00 45.33 H new ATOM 0 HA TRP A 36 0.119 -15.575 -11.221 1.00 51.41 H new ATOM 0 HB2 TRP A 36 1.164 -16.651 -13.136 1.00 24.13 H new ATOM 0 HB3 TRP A 36 2.661 -16.885 -12.256 1.00 24.13 H new ATOM 0 HD1 TRP A 36 -0.999 -18.181 -12.270 1.00 54.15 H new ATOM 0 HE1 TRP A 36 -1.064 -20.542 -11.217 1.00 30.12 H new ATOM 0 HE3 TRP A 36 3.877 -18.466 -10.773 1.00 1.34 H new ATOM 0 HZ2 TRP A 36 0.752 -22.259 -9.927 1.00 4.01 H new ATOM 0 HZ3 TRP A 36 4.645 -20.509 -9.628 1.00 34.33 H new ATOM 0 HH2 TRP A 36 3.101 -22.381 -9.217 1.00 45.22 H new ATOM 587 N ALA A 37 2.932 -16.148 -9.565 1.00 64.15 N ATOM 588 CA ALA A 37 3.466 -16.464 -8.246 1.00 52.51 C ATOM 589 C ALA A 37 2.976 -15.467 -7.202 1.00 12.22 C ATOM 590 O ALA A 37 2.911 -15.780 -6.013 1.00 72.22 O ATOM 591 CB ALA A 37 4.987 -16.485 -8.284 1.00 50.12 C ATOM 0 H ALA A 37 3.641 -16.017 -10.287 1.00 64.15 H new ATOM 0 HA ALA A 37 3.106 -17.453 -7.963 1.00 52.51 H new ATOM 0 HB1 ALA A 37 5.372 -16.722 -7.292 1.00 50.12 H new ATOM 0 HB2 ALA A 37 5.323 -17.241 -8.994 1.00 50.12 H new ATOM 0 HB3 ALA A 37 5.357 -15.507 -8.593 1.00 50.12 H new ATOM 597 N SER A 38 2.631 -14.265 -7.654 1.00 11.31 N ATOM 598 CA SER A 38 2.150 -13.220 -6.757 1.00 43.14 C ATOM 599 C SER A 38 0.785 -13.585 -6.182 1.00 41.11 C ATOM 600 O SER A 38 0.535 -13.408 -4.989 1.00 52.40 O ATOM 601 CB SER A 38 2.065 -11.884 -7.497 1.00 32.02 C ATOM 602 OG SER A 38 2.983 -10.946 -6.963 1.00 52.13 O ATOM 0 H SER A 38 2.676 -13.991 -8.635 1.00 11.31 H new ATOM 0 HA SER A 38 2.858 -13.126 -5.934 1.00 43.14 H new ATOM 0 HB2 SER A 38 2.272 -12.038 -8.556 1.00 32.02 H new ATOM 0 HB3 SER A 38 1.052 -11.488 -7.424 1.00 32.02 H new ATOM 0 HG SER A 38 2.910 -10.101 -7.454 1.00 52.13 H new ATOM 608 N ARG A 39 -0.094 -14.094 -7.038 1.00 60.23 N ATOM 609 CA ARG A 39 -1.434 -14.482 -6.616 1.00 60.21 C ATOM 610 C ARG A 39 -1.394 -15.767 -5.793 1.00 35.33 C ATOM 611 O ARG A 39 -2.187 -15.947 -4.869 1.00 13.43 O ATOM 612 CB ARG A 39 -2.340 -14.673 -7.834 1.00 73.14 C ATOM 613 CG ARG A 39 -3.392 -13.587 -7.986 1.00 32.22 C ATOM 614 CD ARG A 39 -4.780 -14.178 -8.182 1.00 63.24 C ATOM 615 NE ARG A 39 -5.238 -14.901 -6.998 1.00 31.31 N ATOM 616 CZ ARG A 39 -6.290 -15.714 -6.995 1.00 11.41 C ATOM 617 NH1 ARG A 39 -6.987 -15.906 -8.106 1.00 64.22 N1+ ATOM 618 NH2 ARG A 39 -6.645 -16.336 -5.878 1.00 12.42 N ATOM 0 H ARG A 39 0.098 -14.247 -8.028 1.00 60.23 H new ATOM 0 HA ARG A 39 -1.837 -13.683 -5.993 1.00 60.21 H new ATOM 0 HB2 ARG A 39 -1.725 -14.700 -8.733 1.00 73.14 H new ATOM 0 HB3 ARG A 39 -2.837 -15.640 -7.759 1.00 73.14 H new ATOM 0 HG2 ARG A 39 -3.389 -12.949 -7.102 1.00 32.22 H new ATOM 0 HG3 ARG A 39 -3.142 -12.953 -8.837 1.00 32.22 H new ATOM 0 HD2 ARG A 39 -5.485 -13.380 -8.415 1.00 63.24 H new ATOM 0 HD3 ARG A 39 -4.769 -14.853 -9.038 1.00 63.24 H new ATOM 0 HE ARG A 39 -4.723 -14.775 -6.127 1.00 31.31 H new ATOM 0 HH11 ARG A 39 -6.717 -15.429 -8.966 1.00 64.22 H new ATOM 0 HH12 ARG A 39 -7.794 -16.530 -8.101 1.00 64.22 H new ATOM 0 HH21 ARG A 39 -6.111 -16.190 -5.021 1.00 12.42 H new ATOM 0 HH22 ARG A 39 -7.452 -16.960 -5.876 1.00 12.42 H new ATOM 632 N GLU A 40 -0.468 -16.655 -6.137 1.00 1.44 N ATOM 633 CA GLU A 40 -0.327 -17.923 -5.429 1.00 51.43 C ATOM 634 C GLU A 40 0.346 -17.718 -4.074 1.00 51.41 C ATOM 635 O GLU A 40 0.147 -18.502 -3.145 1.00 32.31 O ATOM 636 CB GLU A 40 0.484 -18.913 -6.268 1.00 73.14 C ATOM 637 CG GLU A 40 -0.017 -20.344 -6.174 1.00 72.21 C ATOM 638 CD GLU A 40 -1.346 -20.544 -6.876 1.00 1.04 C ATOM 639 OE1 GLU A 40 -1.624 -19.803 -7.842 1.00 0.11 O ATOM 640 OE2 GLU A 40 -2.109 -21.441 -6.459 1.00 42.34 O1- ATOM 0 H GLU A 40 0.195 -16.521 -6.900 1.00 1.44 H new ATOM 0 HA GLU A 40 -1.324 -18.330 -5.262 1.00 51.43 H new ATOM 0 HB2 GLU A 40 0.461 -18.597 -7.311 1.00 73.14 H new ATOM 0 HB3 GLU A 40 1.525 -18.880 -5.948 1.00 73.14 H new ATOM 0 HG2 GLU A 40 0.724 -21.014 -6.610 1.00 72.21 H new ATOM 0 HG3 GLU A 40 -0.119 -20.621 -5.125 1.00 72.21 H new ATOM 647 N LEU A 41 1.142 -16.660 -3.970 1.00 23.44 N ATOM 648 CA LEU A 41 1.845 -16.351 -2.729 1.00 70.31 C ATOM 649 C LEU A 41 0.867 -15.914 -1.644 1.00 33.23 C ATOM 650 O LEU A 41 0.858 -16.467 -0.545 1.00 10.35 O ATOM 651 CB LEU A 41 2.884 -15.254 -2.968 1.00 32.02 C ATOM 652 CG LEU A 41 4.313 -15.729 -3.231 1.00 14.02 C ATOM 653 CD1 LEU A 41 5.228 -14.544 -3.501 1.00 13.24 C ATOM 654 CD2 LEU A 41 4.828 -16.546 -2.056 1.00 3.52 C ATOM 0 H LEU A 41 1.317 -16.002 -4.729 1.00 23.44 H new ATOM 0 HA LEU A 41 2.352 -17.255 -2.392 1.00 70.31 H new ATOM 0 HB2 LEU A 41 2.560 -14.653 -3.818 1.00 32.02 H new ATOM 0 HB3 LEU A 41 2.895 -14.596 -2.099 1.00 32.02 H new ATOM 0 HG LEU A 41 4.307 -16.366 -4.115 1.00 14.02 H new ATOM 0 HD11 LEU A 41 6.241 -14.901 -3.686 1.00 13.24 H new ATOM 0 HD12 LEU A 41 4.870 -14.000 -4.375 1.00 13.24 H new ATOM 0 HD13 LEU A 41 5.229 -13.881 -2.636 1.00 13.24 H new ATOM 0 HD21 LEU A 41 5.847 -16.876 -2.261 1.00 3.52 H new ATOM 0 HD22 LEU A 41 4.819 -15.933 -1.155 1.00 3.52 H new ATOM 0 HD23 LEU A 41 4.188 -17.416 -1.909 1.00 3.52 H new ATOM 666 N GLU A 42 0.044 -14.919 -1.961 1.00 62.32 N ATOM 667 CA GLU A 42 -0.939 -14.410 -1.012 1.00 14.11 C ATOM 668 C GLU A 42 -1.831 -15.535 -0.495 1.00 64.15 C ATOM 669 O GLU A 42 -2.364 -15.460 0.612 1.00 74.44 O ATOM 670 CB GLU A 42 -1.797 -13.325 -1.666 1.00 21.20 C ATOM 671 CG GLU A 42 -2.979 -12.889 -0.817 1.00 31.41 C ATOM 672 CD GLU A 42 -4.260 -13.611 -1.187 1.00 34.51 C ATOM 673 OE1 GLU A 42 -4.551 -13.719 -2.398 1.00 24.44 O ATOM 674 OE2 GLU A 42 -4.973 -14.066 -0.269 1.00 22.23 O1- ATOM 0 H GLU A 42 0.039 -14.450 -2.867 1.00 62.32 H new ATOM 0 HA GLU A 42 -0.401 -13.979 -0.168 1.00 14.11 H new ATOM 0 HB2 GLU A 42 -1.172 -12.457 -1.876 1.00 21.20 H new ATOM 0 HB3 GLU A 42 -2.165 -13.693 -2.624 1.00 21.20 H new ATOM 0 HG2 GLU A 42 -2.754 -13.071 0.234 1.00 31.41 H new ATOM 0 HG3 GLU A 42 -3.126 -11.815 -0.930 1.00 31.41 H new ATOM 681 N ARG A 43 -1.987 -16.579 -1.305 1.00 14.53 N ATOM 682 CA ARG A 43 -2.814 -17.718 -0.930 1.00 32.32 C ATOM 683 C ARG A 43 -2.170 -18.508 0.206 1.00 32.32 C ATOM 684 O ARG A 43 -2.861 -19.140 1.006 1.00 73.13 O ATOM 685 CB ARG A 43 -3.038 -18.632 -2.137 1.00 52.14 C ATOM 686 CG ARG A 43 -4.400 -19.306 -2.148 1.00 11.04 C ATOM 687 CD ARG A 43 -4.306 -20.757 -1.704 1.00 72.44 C ATOM 688 NE ARG A 43 -5.566 -21.241 -1.144 1.00 5.23 N ATOM 689 CZ ARG A 43 -6.637 -21.521 -1.877 1.00 73.13 C ATOM 690 NH1 ARG A 43 -6.603 -21.367 -3.193 1.00 52.34 N1+ ATOM 691 NH2 ARG A 43 -7.746 -21.957 -1.294 1.00 11.11 N ATOM 0 H ARG A 43 -1.551 -16.658 -2.224 1.00 14.53 H new ATOM 0 HA ARG A 43 -3.776 -17.338 -0.586 1.00 32.32 H new ATOM 0 HB2 ARG A 43 -2.924 -18.048 -3.050 1.00 52.14 H new ATOM 0 HB3 ARG A 43 -2.263 -19.398 -2.150 1.00 52.14 H new ATOM 0 HG2 ARG A 43 -5.080 -18.766 -1.489 1.00 11.04 H new ATOM 0 HG3 ARG A 43 -4.823 -19.258 -3.151 1.00 11.04 H new ATOM 0 HD2 ARG A 43 -4.025 -21.379 -2.554 1.00 72.44 H new ATOM 0 HD3 ARG A 43 -3.516 -20.858 -0.960 1.00 72.44 H new ATOM 0 HE ARG A 43 -5.626 -21.371 -0.134 1.00 5.23 H new ATOM 0 HH11 ARG A 43 -5.752 -21.032 -3.646 1.00 52.34 H new ATOM 0 HH12 ARG A 43 -7.428 -21.583 -3.753 1.00 52.34 H new ATOM 0 HH21 ARG A 43 -7.776 -22.077 -0.282 1.00 11.11 H new ATOM 0 HH22 ARG A 43 -8.568 -22.172 -1.858 1.00 11.11 H new ATOM 705 N PHE A 44 -0.844 -18.467 0.270 1.00 13.35 N ATOM 706 CA PHE A 44 -0.107 -19.179 1.307 1.00 21.01 C ATOM 707 C PHE A 44 0.221 -18.253 2.475 1.00 21.22 C ATOM 708 O PHE A 44 1.214 -18.448 3.175 1.00 12.34 O ATOM 709 CB PHE A 44 1.183 -19.769 0.732 1.00 33.44 C ATOM 710 CG PHE A 44 0.952 -20.942 -0.177 1.00 0.13 C ATOM 711 CD1 PHE A 44 0.257 -22.054 0.269 1.00 60.52 C ATOM 712 CD2 PHE A 44 1.430 -20.932 -1.477 1.00 44.54 C ATOM 713 CE1 PHE A 44 0.042 -23.135 -0.566 1.00 30.24 C ATOM 714 CE2 PHE A 44 1.218 -22.010 -2.316 1.00 44.45 C ATOM 715 CZ PHE A 44 0.525 -23.113 -1.860 1.00 31.53 C ATOM 0 H PHE A 44 -0.258 -17.948 -0.384 1.00 13.35 H new ATOM 0 HA PHE A 44 -0.737 -19.989 1.674 1.00 21.01 H new ATOM 0 HB2 PHE A 44 1.715 -18.993 0.182 1.00 33.44 H new ATOM 0 HB3 PHE A 44 1.830 -20.078 1.553 1.00 33.44 H new ATOM 0 HD1 PHE A 44 -0.121 -22.077 1.280 1.00 60.52 H new ATOM 0 HD2 PHE A 44 1.974 -20.072 -1.839 1.00 44.54 H new ATOM 0 HE1 PHE A 44 -0.503 -23.996 -0.207 1.00 30.24 H new ATOM 0 HE2 PHE A 44 1.595 -21.989 -3.328 1.00 44.45 H new ATOM 0 HZ PHE A 44 0.361 -23.957 -2.513 1.00 31.53 H new ATOM 725 N ALA A 45 -0.621 -17.245 2.678 1.00 31.45 N ATOM 726 CA ALA A 45 -0.423 -16.290 3.761 1.00 52.41 C ATOM 727 C ALA A 45 0.863 -15.495 3.564 1.00 45.34 C ATOM 728 O ALA A 45 1.418 -14.946 4.516 1.00 61.12 O ATOM 729 CB ALA A 45 -0.401 -17.009 5.102 1.00 31.41 C ATOM 0 H ALA A 45 -1.447 -17.069 2.106 1.00 31.45 H new ATOM 0 HA ALA A 45 -1.258 -15.589 3.751 1.00 52.41 H new ATOM 0 HB1 ALA A 45 -0.252 -16.283 5.902 1.00 31.41 H new ATOM 0 HB2 ALA A 45 -1.348 -17.526 5.253 1.00 31.41 H new ATOM 0 HB3 ALA A 45 0.414 -17.733 5.113 1.00 31.41 H new ATOM 735 N VAL A 46 1.334 -15.439 2.321 1.00 30.31 N ATOM 736 CA VAL A 46 2.555 -14.712 1.999 1.00 11.53 C ATOM 737 C VAL A 46 2.276 -13.572 1.026 1.00 33.45 C ATOM 738 O VAL A 46 1.888 -13.801 -0.118 1.00 41.34 O ATOM 739 CB VAL A 46 3.620 -15.643 1.389 1.00 12.01 C ATOM 740 CG1 VAL A 46 4.870 -14.858 1.023 1.00 72.33 C ATOM 741 CG2 VAL A 46 3.952 -16.774 2.351 1.00 53.11 C ATOM 0 H VAL A 46 0.888 -15.889 1.522 1.00 30.31 H new ATOM 0 HA VAL A 46 2.935 -14.303 2.935 1.00 11.53 H new ATOM 0 HB VAL A 46 3.216 -16.080 0.476 1.00 12.01 H new ATOM 0 HG11 VAL A 46 5.611 -15.533 0.594 1.00 72.33 H new ATOM 0 HG12 VAL A 46 4.616 -14.088 0.295 1.00 72.33 H new ATOM 0 HG13 VAL A 46 5.281 -14.390 1.918 1.00 72.33 H new ATOM 0 HG21 VAL A 46 4.706 -17.422 1.904 1.00 53.11 H new ATOM 0 HG22 VAL A 46 4.337 -16.358 3.282 1.00 53.11 H new ATOM 0 HG23 VAL A 46 3.052 -17.353 2.557 1.00 53.11 H new ATOM 751 N ASN A 47 2.476 -12.342 1.491 1.00 74.51 N ATOM 752 CA ASN A 47 2.245 -11.165 0.661 1.00 75.33 C ATOM 753 C ASN A 47 3.140 -11.186 -0.574 1.00 53.23 C ATOM 754 O ASN A 47 4.288 -11.630 -0.532 1.00 21.34 O ATOM 755 CB ASN A 47 2.497 -9.890 1.467 1.00 12.23 C ATOM 756 CG ASN A 47 1.253 -9.405 2.187 1.00 1.21 C ATOM 757 OD1 ASN A 47 0.131 -9.733 1.800 1.00 12.01 O ATOM 758 ND2 ASN A 47 1.447 -8.620 3.240 1.00 2.21 N ATOM 0 H ASN A 47 2.797 -12.135 2.437 1.00 74.51 H new ATOM 0 HA ASN A 47 1.205 -11.180 0.334 1.00 75.33 H new ATOM 0 HB2 ASN A 47 3.286 -10.074 2.196 1.00 12.23 H new ATOM 0 HB3 ASN A 47 2.856 -9.107 0.800 1.00 12.23 H new ATOM 0 HD21 ASN A 47 0.648 -8.263 3.764 1.00 2.21 H new ATOM 0 HD22 ASN A 47 2.395 -8.374 3.525 1.00 2.21 H new ATOM 765 N PRO A 48 2.606 -10.691 -1.700 1.00 62.45 N ATOM 766 CA PRO A 48 3.340 -10.641 -2.969 1.00 5.42 C ATOM 767 C PRO A 48 4.473 -9.620 -2.942 1.00 72.25 C ATOM 768 O PRO A 48 5.341 -9.619 -3.813 1.00 74.14 O ATOM 769 CB PRO A 48 2.270 -10.226 -3.982 1.00 61.01 C ATOM 770 CG PRO A 48 1.253 -9.492 -3.178 1.00 73.33 C ATOM 771 CD PRO A 48 1.244 -10.145 -1.824 1.00 63.43 C ATOM 0 HA PRO A 48 3.819 -11.592 -3.201 1.00 5.42 H new ATOM 0 HB2 PRO A 48 2.689 -9.593 -4.764 1.00 61.01 H new ATOM 0 HB3 PRO A 48 1.833 -11.094 -4.475 1.00 61.01 H new ATOM 0 HG2 PRO A 48 1.507 -8.435 -3.099 1.00 73.33 H new ATOM 0 HG3 PRO A 48 0.270 -9.550 -3.646 1.00 73.33 H new ATOM 0 HD2 PRO A 48 1.025 -9.427 -1.033 1.00 63.43 H new ATOM 0 HD3 PRO A 48 0.489 -10.929 -1.761 1.00 63.43 H new ATOM 779 N GLY A 49 4.458 -8.752 -1.936 1.00 34.25 N ATOM 780 CA GLY A 49 5.489 -7.738 -1.814 1.00 70.21 C ATOM 781 C GLY A 49 6.851 -8.330 -1.509 1.00 30.25 C ATOM 782 O GLY A 49 7.875 -7.663 -1.665 1.00 23.24 O ATOM 0 H GLY A 49 3.750 -8.733 -1.202 1.00 34.25 H new ATOM 0 HA2 GLY A 49 5.544 -7.167 -2.741 1.00 70.21 H new ATOM 0 HA3 GLY A 49 5.215 -7.039 -1.024 1.00 70.21 H new ATOM 786 N LEU A 50 6.864 -9.583 -1.070 1.00 30.54 N ATOM 787 CA LEU A 50 8.110 -10.265 -0.738 1.00 52.22 C ATOM 788 C LEU A 50 8.894 -10.611 -2.001 1.00 21.50 C ATOM 789 O LEU A 50 10.115 -10.766 -1.964 1.00 55.31 O ATOM 790 CB LEU A 50 7.822 -11.537 0.061 1.00 51.51 C ATOM 791 CG LEU A 50 7.227 -11.333 1.454 1.00 2.53 C ATOM 792 CD1 LEU A 50 6.937 -12.673 2.112 1.00 23.21 C ATOM 793 CD2 LEU A 50 8.166 -10.504 2.320 1.00 65.31 C ATOM 0 H LEU A 50 6.026 -10.148 -0.935 1.00 30.54 H new ATOM 0 HA LEU A 50 8.713 -9.591 -0.130 1.00 52.22 H new ATOM 0 HB2 LEU A 50 7.138 -12.158 -0.517 1.00 51.51 H new ATOM 0 HB3 LEU A 50 8.752 -12.096 0.163 1.00 51.51 H new ATOM 0 HG LEU A 50 6.287 -10.791 1.350 1.00 2.53 H new ATOM 0 HD11 LEU A 50 6.514 -12.508 3.103 1.00 23.21 H new ATOM 0 HD12 LEU A 50 6.226 -13.231 1.503 1.00 23.21 H new ATOM 0 HD13 LEU A 50 7.862 -13.242 2.203 1.00 23.21 H new ATOM 0 HD21 LEU A 50 7.726 -10.369 3.308 1.00 65.31 H new ATOM 0 HD22 LEU A 50 9.122 -11.019 2.416 1.00 65.31 H new ATOM 0 HD23 LEU A 50 8.323 -9.530 1.857 1.00 65.31 H new ATOM 805 N LEU A 51 8.183 -10.729 -3.117 1.00 72.14 N ATOM 806 CA LEU A 51 8.812 -11.054 -4.393 1.00 52.10 C ATOM 807 C LEU A 51 9.832 -9.989 -4.785 1.00 61.34 C ATOM 808 O LEU A 51 10.776 -10.264 -5.524 1.00 24.05 O ATOM 809 CB LEU A 51 7.752 -11.188 -5.488 1.00 15.13 C ATOM 810 CG LEU A 51 6.783 -12.362 -5.344 1.00 4.10 C ATOM 811 CD1 LEU A 51 5.618 -12.214 -6.308 1.00 34.31 C ATOM 812 CD2 LEU A 51 7.506 -13.681 -5.575 1.00 40.04 C ATOM 0 H LEU A 51 7.172 -10.605 -3.165 1.00 72.14 H new ATOM 0 HA LEU A 51 9.332 -12.005 -4.281 1.00 52.10 H new ATOM 0 HB2 LEU A 51 7.172 -10.266 -5.519 1.00 15.13 H new ATOM 0 HB3 LEU A 51 8.260 -11.278 -6.448 1.00 15.13 H new ATOM 0 HG LEU A 51 6.388 -12.360 -4.328 1.00 4.10 H new ATOM 0 HD11 LEU A 51 4.939 -13.059 -6.191 1.00 34.31 H new ATOM 0 HD12 LEU A 51 5.085 -11.288 -6.095 1.00 34.31 H new ATOM 0 HD13 LEU A 51 5.993 -12.189 -7.331 1.00 34.31 H new ATOM 0 HD21 LEU A 51 6.801 -14.506 -5.469 1.00 40.04 H new ATOM 0 HD22 LEU A 51 7.929 -13.693 -6.579 1.00 40.04 H new ATOM 0 HD23 LEU A 51 8.306 -13.791 -4.843 1.00 40.04 H new ATOM 824 N GLU A 52 9.633 -8.774 -4.283 1.00 42.51 N ATOM 825 CA GLU A 52 10.537 -7.669 -4.580 1.00 42.32 C ATOM 826 C GLU A 52 11.494 -7.421 -3.417 1.00 10.13 C ATOM 827 O GLU A 52 11.991 -6.309 -3.232 1.00 72.22 O ATOM 828 CB GLU A 52 9.742 -6.398 -4.881 1.00 54.10 C ATOM 829 CG GLU A 52 8.932 -5.891 -3.699 1.00 45.30 C ATOM 830 CD GLU A 52 8.941 -4.379 -3.592 1.00 11.25 C ATOM 831 OE1 GLU A 52 10.040 -3.798 -3.476 1.00 61.15 O ATOM 832 OE2 GLU A 52 7.847 -3.775 -3.622 1.00 3.15 O1- ATOM 0 H GLU A 52 8.855 -8.530 -3.670 1.00 42.51 H new ATOM 0 HA GLU A 52 11.123 -7.939 -5.459 1.00 42.32 H new ATOM 0 HB2 GLU A 52 10.431 -5.616 -5.200 1.00 54.10 H new ATOM 0 HB3 GLU A 52 9.069 -6.590 -5.716 1.00 54.10 H new ATOM 0 HG2 GLU A 52 7.903 -6.239 -3.792 1.00 45.30 H new ATOM 0 HG3 GLU A 52 9.331 -6.319 -2.779 1.00 45.30 H new ATOM 839 N THR A 53 11.747 -8.464 -2.633 1.00 72.41 N ATOM 840 CA THR A 53 12.641 -8.360 -1.487 1.00 51.54 C ATOM 841 C THR A 53 13.610 -9.536 -1.437 1.00 21.02 C ATOM 842 O THR A 53 13.195 -10.693 -1.401 1.00 21.52 O ATOM 843 CB THR A 53 11.854 -8.301 -0.165 1.00 2.34 C ATOM 844 OG1 THR A 53 11.315 -9.591 0.143 1.00 71.53 O ATOM 845 CG2 THR A 53 10.728 -7.282 -0.249 1.00 43.44 C ATOM 0 H THR A 53 11.345 -9.391 -2.771 1.00 72.41 H new ATOM 0 HA THR A 53 13.204 -7.434 -1.608 1.00 51.54 H new ATOM 0 HB THR A 53 12.539 -7.996 0.626 1.00 2.34 H new ATOM 0 HG1 THR A 53 11.199 -10.103 -0.684 1.00 71.53 H new ATOM 0 HG21 THR A 53 10.187 -7.259 0.697 1.00 43.44 H new ATOM 0 HG22 THR A 53 11.144 -6.296 -0.453 1.00 43.44 H new ATOM 0 HG23 THR A 53 10.045 -7.560 -1.051 1.00 43.44 H new ATOM 853 N SER A 54 14.904 -9.230 -1.435 1.00 62.41 N ATOM 854 CA SER A 54 15.932 -10.263 -1.393 1.00 64.42 C ATOM 855 C SER A 54 15.769 -11.143 -0.157 1.00 13.32 C ATOM 856 O SER A 54 16.229 -12.283 -0.129 1.00 25.23 O ATOM 857 CB SER A 54 17.324 -9.627 -1.400 1.00 24.20 C ATOM 858 OG SER A 54 17.289 -8.330 -1.968 1.00 14.14 O ATOM 0 H SER A 54 15.265 -8.276 -1.462 1.00 62.41 H new ATOM 0 HA SER A 54 15.821 -10.888 -2.279 1.00 64.42 H new ATOM 0 HB2 SER A 54 17.707 -9.571 -0.381 1.00 24.20 H new ATOM 0 HB3 SER A 54 18.012 -10.256 -1.965 1.00 24.20 H new ATOM 0 HG SER A 54 17.896 -8.293 -2.736 1.00 14.14 H new ATOM 864 N GLU A 55 15.109 -10.603 0.863 1.00 2.42 N ATOM 865 CA GLU A 55 14.885 -11.337 2.102 1.00 22.44 C ATOM 866 C GLU A 55 13.643 -12.219 1.996 1.00 44.44 C ATOM 867 O GLU A 55 13.665 -13.388 2.377 1.00 5.12 O ATOM 868 CB GLU A 55 14.736 -10.368 3.276 1.00 1.25 C ATOM 869 CG GLU A 55 15.441 -10.830 4.541 1.00 73.12 C ATOM 870 CD GLU A 55 14.487 -11.023 5.703 1.00 62.22 C ATOM 871 OE1 GLU A 55 13.722 -12.011 5.686 1.00 5.11 O1- ATOM 872 OE2 GLU A 55 14.505 -10.187 6.631 1.00 64.12 O ATOM 0 H GLU A 55 14.720 -9.660 0.855 1.00 2.42 H new ATOM 0 HA GLU A 55 15.750 -11.977 2.276 1.00 22.44 H new ATOM 0 HB2 GLU A 55 15.131 -9.395 2.985 1.00 1.25 H new ATOM 0 HB3 GLU A 55 13.676 -10.231 3.490 1.00 1.25 H new ATOM 0 HG2 GLU A 55 15.959 -11.768 4.342 1.00 73.12 H new ATOM 0 HG3 GLU A 55 16.201 -10.099 4.817 1.00 73.12 H new ATOM 879 N GLY A 56 12.563 -11.648 1.473 1.00 33.23 N ATOM 880 CA GLY A 56 11.327 -12.396 1.325 1.00 13.44 C ATOM 881 C GLY A 56 11.465 -13.558 0.362 1.00 33.12 C ATOM 882 O GLY A 56 11.034 -14.673 0.660 1.00 23.20 O ATOM 0 H GLY A 56 12.521 -10.682 1.149 1.00 33.23 H new ATOM 0 HA2 GLY A 56 11.014 -12.771 2.299 1.00 13.44 H new ATOM 0 HA3 GLY A 56 10.541 -11.728 0.973 1.00 13.44 H new ATOM 886 N CYS A 57 12.062 -13.298 -0.795 1.00 1.41 N ATOM 887 CA CYS A 57 12.252 -14.332 -1.806 1.00 63.01 C ATOM 888 C CYS A 57 12.925 -15.563 -1.206 1.00 55.03 C ATOM 889 O CYS A 57 12.664 -16.691 -1.624 1.00 12.15 O ATOM 890 CB CYS A 57 13.090 -13.792 -2.966 1.00 2.10 C ATOM 891 SG CYS A 57 12.176 -13.606 -4.514 1.00 32.34 S ATOM 0 H CYS A 57 12.423 -12.381 -1.057 1.00 1.41 H new ATOM 0 HA CYS A 57 11.271 -14.624 -2.181 1.00 63.01 H new ATOM 0 HB2 CYS A 57 13.503 -12.824 -2.682 1.00 2.10 H new ATOM 0 HB3 CYS A 57 13.934 -14.462 -3.133 1.00 2.10 H new ATOM 0 HG CYS A 57 12.969 -13.142 -5.433 1.00 32.34 H new ATOM 897 N ARG A 58 13.794 -15.336 -0.226 1.00 72.54 N ATOM 898 CA ARG A 58 14.507 -16.427 0.429 1.00 2.25 C ATOM 899 C ARG A 58 13.571 -17.219 1.338 1.00 11.55 C ATOM 900 O ARG A 58 13.538 -18.448 1.289 1.00 33.02 O ATOM 901 CB ARG A 58 15.683 -15.880 1.241 1.00 21.33 C ATOM 902 CG ARG A 58 16.674 -16.949 1.672 1.00 12.35 C ATOM 903 CD ARG A 58 17.921 -16.335 2.291 1.00 74.44 C ATOM 904 NE ARG A 58 19.060 -17.247 2.243 1.00 54.31 N ATOM 905 CZ ARG A 58 20.316 -16.866 2.452 1.00 33.45 C ATOM 906 NH1 ARG A 58 20.590 -15.597 2.723 1.00 50.15 N1+ ATOM 907 NH2 ARG A 58 21.299 -17.755 2.392 1.00 12.54 N ATOM 0 H ARG A 58 14.021 -14.408 0.132 1.00 72.54 H new ATOM 0 HA ARG A 58 14.887 -17.096 -0.343 1.00 2.25 H new ATOM 0 HB2 ARG A 58 16.206 -15.130 0.648 1.00 21.33 H new ATOM 0 HB3 ARG A 58 15.298 -15.375 2.127 1.00 21.33 H new ATOM 0 HG2 ARG A 58 16.200 -17.617 2.391 1.00 12.35 H new ATOM 0 HG3 ARG A 58 16.955 -17.555 0.811 1.00 12.35 H new ATOM 0 HD2 ARG A 58 18.171 -15.414 1.765 1.00 74.44 H new ATOM 0 HD3 ARG A 58 17.716 -16.065 3.327 1.00 74.44 H new ATOM 0 HE ARG A 58 18.882 -18.230 2.038 1.00 54.31 H new ATOM 0 HH11 ARG A 58 19.836 -14.912 2.771 1.00 50.15 H new ATOM 0 HH12 ARG A 58 21.555 -15.306 2.883 1.00 50.15 H new ATOM 0 HH21 ARG A 58 21.091 -18.732 2.185 1.00 12.54 H new ATOM 0 HH22 ARG A 58 22.263 -17.461 2.553 1.00 12.54 H new ATOM 921 N GLN A 59 12.815 -16.505 2.166 1.00 24.13 N ATOM 922 CA GLN A 59 11.881 -17.143 3.086 1.00 34.25 C ATOM 923 C GLN A 59 10.884 -18.016 2.332 1.00 23.54 C ATOM 924 O GLN A 59 10.576 -19.131 2.756 1.00 40.25 O ATOM 925 CB GLN A 59 11.135 -16.086 3.903 1.00 11.43 C ATOM 926 CG GLN A 59 11.524 -16.066 5.373 1.00 71.13 C ATOM 927 CD GLN A 59 11.038 -14.820 6.087 1.00 24.04 C ATOM 928 OE1 GLN A 59 10.210 -14.074 5.566 1.00 10.31 O ATOM 929 NE2 GLN A 59 11.553 -14.590 7.290 1.00 30.11 N ATOM 0 H GLN A 59 12.831 -15.486 2.219 1.00 24.13 H new ATOM 0 HA GLN A 59 12.453 -17.778 3.762 1.00 34.25 H new ATOM 0 HB2 GLN A 59 11.327 -15.103 3.472 1.00 11.43 H new ATOM 0 HB3 GLN A 59 10.063 -16.266 3.822 1.00 11.43 H new ATOM 0 HG2 GLN A 59 11.113 -16.947 5.866 1.00 71.13 H new ATOM 0 HG3 GLN A 59 12.609 -16.130 5.459 1.00 71.13 H new ATOM 0 HE21 GLN A 59 12.237 -15.236 7.684 1.00 30.11 H new ATOM 0 HE22 GLN A 59 11.264 -13.768 7.820 1.00 30.11 H new ATOM 938 N ILE A 60 10.382 -17.502 1.214 1.00 30.31 N ATOM 939 CA ILE A 60 9.421 -18.236 0.402 1.00 75.30 C ATOM 940 C ILE A 60 9.988 -19.581 -0.041 1.00 21.41 C ATOM 941 O ILE A 60 9.271 -20.581 -0.098 1.00 10.02 O ATOM 942 CB ILE A 60 9.006 -17.431 -0.845 1.00 22.52 C ATOM 943 CG1 ILE A 60 8.401 -16.088 -0.432 1.00 71.24 C ATOM 944 CG2 ILE A 60 8.019 -18.227 -1.685 1.00 2.10 C ATOM 945 CD1 ILE A 60 8.371 -15.070 -1.551 1.00 41.44 C ATOM 0 H ILE A 60 10.625 -16.580 0.851 1.00 30.31 H new ATOM 0 HA ILE A 60 8.543 -18.402 1.026 1.00 75.30 H new ATOM 0 HB ILE A 60 9.893 -17.239 -1.448 1.00 22.52 H new ATOM 0 HG12 ILE A 60 7.385 -16.251 -0.073 1.00 71.24 H new ATOM 0 HG13 ILE A 60 8.973 -15.682 0.403 1.00 71.24 H new ATOM 0 HG21 ILE A 60 7.735 -17.645 -2.562 1.00 2.10 H new ATOM 0 HG22 ILE A 60 8.482 -19.161 -2.003 1.00 2.10 H new ATOM 0 HG23 ILE A 60 7.131 -18.446 -1.092 1.00 2.10 H new ATOM 0 HD11 ILE A 60 7.930 -14.142 -1.187 1.00 41.44 H new ATOM 0 HD12 ILE A 60 9.387 -14.878 -1.895 1.00 41.44 H new ATOM 0 HD13 ILE A 60 7.775 -15.456 -2.378 1.00 41.44 H new ATOM 957 N LEU A 61 11.278 -19.599 -0.353 1.00 2.42 N ATOM 958 CA LEU A 61 11.944 -20.821 -0.789 1.00 3.11 C ATOM 959 C LEU A 61 12.248 -21.729 0.399 1.00 73.33 C ATOM 960 O LEU A 61 12.350 -22.947 0.252 1.00 34.15 O ATOM 961 CB LEU A 61 13.238 -20.484 -1.531 1.00 70.31 C ATOM 962 CG LEU A 61 13.077 -19.736 -2.856 1.00 3.33 C ATOM 963 CD1 LEU A 61 14.219 -18.752 -3.055 1.00 63.14 C ATOM 964 CD2 LEU A 61 13.005 -20.716 -4.017 1.00 22.13 C ATOM 0 H LEU A 61 11.885 -18.780 -0.312 1.00 2.42 H new ATOM 0 HA LEU A 61 11.272 -21.350 -1.465 1.00 3.11 H new ATOM 0 HB2 LEU A 61 13.865 -19.884 -0.872 1.00 70.31 H new ATOM 0 HB3 LEU A 61 13.775 -21.413 -1.724 1.00 70.31 H new ATOM 0 HG LEU A 61 12.143 -19.175 -2.823 1.00 3.33 H new ATOM 0 HD11 LEU A 61 14.088 -18.229 -4.002 1.00 63.14 H new ATOM 0 HD12 LEU A 61 14.223 -18.029 -2.239 1.00 63.14 H new ATOM 0 HD13 LEU A 61 15.166 -19.291 -3.066 1.00 63.14 H new ATOM 0 HD21 LEU A 61 12.891 -20.166 -4.951 1.00 22.13 H new ATOM 0 HD22 LEU A 61 13.921 -21.305 -4.053 1.00 22.13 H new ATOM 0 HD23 LEU A 61 12.152 -21.380 -3.880 1.00 22.13 H new ATOM 976 N GLY A 62 12.389 -21.128 1.577 1.00 54.12 N ATOM 977 CA GLY A 62 12.677 -21.897 2.773 1.00 60.24 C ATOM 978 C GLY A 62 11.504 -22.753 3.208 1.00 43.34 C ATOM 979 O GLY A 62 11.691 -23.822 3.788 1.00 33.42 O ATOM 0 H GLY A 62 12.309 -20.122 1.724 1.00 54.12 H new ATOM 0 HA2 GLY A 62 13.541 -22.536 2.591 1.00 60.24 H new ATOM 0 HA3 GLY A 62 12.947 -21.218 3.582 1.00 60.24 H new ATOM 983 N GLN A 63 10.294 -22.281 2.929 1.00 22.00 N ATOM 984 CA GLN A 63 9.086 -23.010 3.298 1.00 4.31 C ATOM 985 C GLN A 63 8.745 -24.064 2.251 1.00 71.11 C ATOM 986 O GLN A 63 8.179 -25.111 2.569 1.00 73.31 O ATOM 987 CB GLN A 63 7.913 -22.043 3.468 1.00 51.52 C ATOM 988 CG GLN A 63 7.627 -21.680 4.917 1.00 40.35 C ATOM 989 CD GLN A 63 6.199 -21.983 5.324 1.00 42.25 C ATOM 990 OE1 GLN A 63 5.942 -22.917 6.083 1.00 41.03 O ATOM 991 NE2 GLN A 63 5.260 -21.192 4.818 1.00 14.34 N ATOM 0 H GLN A 63 10.124 -21.397 2.449 1.00 22.00 H new ATOM 0 HA GLN A 63 9.272 -23.514 4.246 1.00 4.31 H new ATOM 0 HB2 GLN A 63 8.121 -21.131 2.908 1.00 51.52 H new ATOM 0 HB3 GLN A 63 7.019 -22.489 3.031 1.00 51.52 H new ATOM 0 HG2 GLN A 63 8.310 -22.228 5.566 1.00 40.35 H new ATOM 0 HG3 GLN A 63 7.826 -20.619 5.068 1.00 40.35 H new ATOM 0 HE21 GLN A 63 5.519 -20.429 4.192 1.00 14.34 H new ATOM 0 HE22 GLN A 63 4.280 -21.347 5.055 1.00 14.34 H new ATOM 1000 N LEU A 64 9.091 -23.781 1.000 1.00 64.31 N ATOM 1001 CA LEU A 64 8.821 -24.705 -0.096 1.00 25.53 C ATOM 1002 C LEU A 64 9.921 -25.756 -0.206 1.00 40.13 C ATOM 1003 O LEU A 64 9.691 -26.860 -0.699 1.00 20.23 O ATOM 1004 CB LEU A 64 8.697 -23.940 -1.415 1.00 24.40 C ATOM 1005 CG LEU A 64 7.558 -22.924 -1.496 1.00 72.35 C ATOM 1006 CD1 LEU A 64 7.749 -22.002 -2.691 1.00 25.44 C ATOM 1007 CD2 LEU A 64 6.214 -23.634 -1.578 1.00 72.11 C ATOM 0 H LEU A 64 9.559 -22.919 0.719 1.00 64.31 H new ATOM 0 HA LEU A 64 7.879 -25.212 0.113 1.00 25.53 H new ATOM 0 HB2 LEU A 64 9.636 -23.418 -1.599 1.00 24.40 H new ATOM 0 HB3 LEU A 64 8.570 -24.663 -2.221 1.00 24.40 H new ATOM 0 HG LEU A 64 7.572 -22.319 -0.590 1.00 72.35 H new ATOM 0 HD11 LEU A 64 6.929 -21.285 -2.733 1.00 25.44 H new ATOM 0 HD12 LEU A 64 8.693 -21.467 -2.591 1.00 25.44 H new ATOM 0 HD13 LEU A 64 7.762 -22.592 -3.607 1.00 25.44 H new ATOM 0 HD21 LEU A 64 5.415 -22.895 -1.635 1.00 72.11 H new ATOM 0 HD22 LEU A 64 6.189 -24.264 -2.467 1.00 72.11 H new ATOM 0 HD23 LEU A 64 6.074 -24.252 -0.691 1.00 72.11 H new ATOM 1019 N GLN A 65 11.117 -25.405 0.257 1.00 31.01 N ATOM 1020 CA GLN A 65 12.252 -26.319 0.211 1.00 11.23 C ATOM 1021 C GLN A 65 11.893 -27.665 0.832 1.00 14.35 C ATOM 1022 O GLN A 65 11.920 -28.706 0.176 1.00 11.02 O ATOM 1023 CB GLN A 65 13.452 -25.711 0.940 1.00 72.52 C ATOM 1024 CG GLN A 65 14.586 -25.306 0.012 1.00 34.45 C ATOM 1025 CD GLN A 65 15.942 -25.362 0.688 1.00 23.43 C ATOM 1026 OE1 GLN A 65 16.134 -26.095 1.659 1.00 40.10 O ATOM 1027 NE2 GLN A 65 16.891 -24.588 0.177 1.00 41.12 N ATOM 0 H GLN A 65 11.325 -24.495 0.668 1.00 31.01 H new ATOM 0 HA GLN A 65 12.514 -26.481 -0.835 1.00 11.23 H new ATOM 0 HB2 GLN A 65 13.121 -24.836 1.500 1.00 72.52 H new ATOM 0 HB3 GLN A 65 13.828 -26.431 1.667 1.00 72.52 H new ATOM 0 HG2 GLN A 65 14.591 -25.963 -0.858 1.00 34.45 H new ATOM 0 HG3 GLN A 65 14.408 -24.295 -0.353 1.00 34.45 H new ATOM 0 HE21 GLN A 65 16.688 -23.996 -0.629 1.00 41.12 H new ATOM 0 HE22 GLN A 65 17.824 -24.585 0.590 1.00 41.12 H new ATOM 1036 N PRO A 66 11.548 -27.646 2.128 1.00 1.10 N ATOM 1037 CA PRO A 66 11.177 -28.856 2.867 1.00 21.30 C ATOM 1038 C PRO A 66 9.833 -29.420 2.417 1.00 64.42 C ATOM 1039 O PRO A 66 9.508 -30.574 2.696 1.00 4.42 O ATOM 1040 CB PRO A 66 11.096 -28.376 4.318 1.00 74.53 C ATOM 1041 CG PRO A 66 10.801 -26.920 4.219 1.00 54.23 C ATOM 1042 CD PRO A 66 11.493 -26.441 2.973 1.00 41.35 C ATOM 0 HA PRO A 66 11.892 -29.664 2.711 1.00 21.30 H new ATOM 0 HB2 PRO A 66 10.314 -28.902 4.866 1.00 74.53 H new ATOM 0 HB3 PRO A 66 12.032 -28.555 4.847 1.00 74.53 H new ATOM 0 HG2 PRO A 66 9.727 -26.742 4.162 1.00 54.23 H new ATOM 0 HG3 PRO A 66 11.166 -26.387 5.097 1.00 54.23 H new ATOM 0 HD2 PRO A 66 10.939 -25.636 2.490 1.00 41.35 H new ATOM 0 HD3 PRO A 66 12.490 -26.056 3.190 1.00 41.35 H new ATOM 1050 N SER A 67 9.057 -28.600 1.717 1.00 31.23 N ATOM 1051 CA SER A 67 7.746 -29.016 1.231 1.00 1.01 C ATOM 1052 C SER A 67 7.789 -29.308 -0.266 1.00 45.43 C ATOM 1053 O SER A 67 6.779 -29.199 -0.961 1.00 55.13 O ATOM 1054 CB SER A 67 6.704 -27.935 1.520 1.00 1.14 C ATOM 1055 OG SER A 67 6.403 -27.875 2.904 1.00 15.54 O ATOM 0 H SER A 67 9.313 -27.643 1.473 1.00 31.23 H new ATOM 0 HA SER A 67 7.466 -29.930 1.755 1.00 1.01 H new ATOM 0 HB2 SER A 67 7.076 -26.967 1.183 1.00 1.14 H new ATOM 0 HB3 SER A 67 5.795 -28.141 0.955 1.00 1.14 H new ATOM 0 HG SER A 67 5.736 -27.175 3.064 1.00 15.54 H new ATOM 1061 N LEU A 68 8.968 -29.680 -0.755 1.00 75.54 N ATOM 1062 CA LEU A 68 9.144 -29.989 -2.170 1.00 43.24 C ATOM 1063 C LEU A 68 8.654 -31.398 -2.486 1.00 73.21 C ATOM 1064 O LEU A 68 8.042 -31.632 -3.528 1.00 70.45 O ATOM 1065 CB LEU A 68 10.617 -29.849 -2.562 1.00 65.23 C ATOM 1066 CG LEU A 68 11.017 -28.522 -3.208 1.00 71.54 C ATOM 1067 CD1 LEU A 68 12.510 -28.501 -3.503 1.00 33.31 C ATOM 1068 CD2 LEU A 68 10.217 -28.286 -4.481 1.00 60.52 C ATOM 0 H LEU A 68 9.814 -29.775 -0.194 1.00 75.54 H new ATOM 0 HA LEU A 68 8.550 -29.281 -2.748 1.00 43.24 H new ATOM 0 HB2 LEU A 68 11.225 -29.993 -1.669 1.00 65.23 H new ATOM 0 HB3 LEU A 68 10.867 -30.655 -3.251 1.00 65.23 H new ATOM 0 HG LEU A 68 10.794 -27.717 -2.508 1.00 71.54 H new ATOM 0 HD11 LEU A 68 12.777 -27.549 -3.962 1.00 33.31 H new ATOM 0 HD12 LEU A 68 13.066 -28.624 -2.574 1.00 33.31 H new ATOM 0 HD13 LEU A 68 12.758 -29.315 -4.184 1.00 33.31 H new ATOM 0 HD21 LEU A 68 10.515 -27.337 -4.927 1.00 60.52 H new ATOM 0 HD22 LEU A 68 10.409 -29.095 -5.186 1.00 60.52 H new ATOM 0 HD23 LEU A 68 9.154 -28.257 -4.242 1.00 60.52 H new ATOM 1080 N GLN A 69 8.925 -32.331 -1.579 1.00 52.01 N ATOM 1081 CA GLN A 69 8.509 -33.717 -1.762 1.00 15.22 C ATOM 1082 C GLN A 69 6.996 -33.853 -1.621 1.00 51.21 C ATOM 1083 O GLN A 69 6.360 -34.612 -2.353 1.00 23.50 O ATOM 1084 CB GLN A 69 9.210 -34.619 -0.746 1.00 23.21 C ATOM 1085 CG GLN A 69 9.405 -36.046 -1.234 1.00 21.14 C ATOM 1086 CD GLN A 69 9.874 -36.979 -0.134 1.00 63.34 C ATOM 1087 OE1 GLN A 69 10.903 -37.644 -0.265 1.00 12.23 O ATOM 1088 NE2 GLN A 69 9.120 -37.034 0.958 1.00 61.24 N ATOM 0 H GLN A 69 9.430 -32.153 -0.711 1.00 52.01 H new ATOM 0 HA GLN A 69 8.792 -34.026 -2.768 1.00 15.22 H new ATOM 0 HB2 GLN A 69 10.182 -34.191 -0.502 1.00 23.21 H new ATOM 0 HB3 GLN A 69 8.628 -34.635 0.176 1.00 23.21 H new ATOM 0 HG2 GLN A 69 8.466 -36.417 -1.645 1.00 21.14 H new ATOM 0 HG3 GLN A 69 10.132 -36.052 -2.046 1.00 21.14 H new ATOM 0 HE21 GLN A 69 8.276 -36.466 1.024 1.00 61.24 H new ATOM 0 HE22 GLN A 69 9.385 -37.645 1.731 1.00 61.24 H new ATOM 1097 N THR A 70 6.424 -33.113 -0.676 1.00 42.32 N ATOM 1098 CA THR A 70 4.987 -33.153 -0.439 1.00 41.24 C ATOM 1099 C THR A 70 4.281 -32.004 -1.149 1.00 35.22 C ATOM 1100 O THR A 70 3.214 -31.560 -0.724 1.00 44.10 O ATOM 1101 CB THR A 70 4.664 -33.088 1.066 1.00 54.33 C ATOM 1102 OG1 THR A 70 5.679 -33.765 1.814 1.00 23.44 O ATOM 1103 CG2 THR A 70 3.308 -33.713 1.356 1.00 63.32 C ATOM 0 H THR A 70 6.935 -32.478 -0.062 1.00 42.32 H new ATOM 0 HA THR A 70 4.626 -34.100 -0.840 1.00 41.24 H new ATOM 0 HB THR A 70 4.633 -32.040 1.364 1.00 54.33 H new ATOM 0 HG1 THR A 70 5.467 -33.718 2.770 1.00 23.44 H new ATOM 0 HG21 THR A 70 3.102 -33.655 2.425 1.00 63.32 H new ATOM 0 HG22 THR A 70 2.535 -33.175 0.808 1.00 63.32 H new ATOM 0 HG23 THR A 70 3.314 -34.757 1.044 1.00 63.32 H new ATOM 1111 N GLY A 71 4.881 -31.527 -2.235 1.00 52.31 N ATOM 1112 CA GLY A 71 4.293 -30.434 -2.988 1.00 40.41 C ATOM 1113 C GLY A 71 3.789 -30.872 -4.349 1.00 12.51 C ATOM 1114 O GLY A 71 4.331 -31.799 -4.950 1.00 61.31 O ATOM 0 H GLY A 71 5.764 -31.878 -2.607 1.00 52.31 H new ATOM 0 HA2 GLY A 71 3.467 -30.007 -2.418 1.00 40.41 H new ATOM 0 HA3 GLY A 71 5.034 -29.645 -3.115 1.00 40.41 H new ATOM 1118 N SER A 72 2.747 -30.204 -4.834 1.00 70.11 N ATOM 1119 CA SER A 72 2.165 -30.534 -6.131 1.00 1.30 C ATOM 1120 C SER A 72 2.762 -29.662 -7.231 1.00 42.32 C ATOM 1121 O SER A 72 3.723 -28.927 -7.002 1.00 73.13 O ATOM 1122 CB SER A 72 0.647 -30.357 -6.091 1.00 74.12 C ATOM 1123 OG SER A 72 0.288 -28.993 -6.233 1.00 71.15 O ATOM 0 H SER A 72 2.289 -29.432 -4.350 1.00 70.11 H new ATOM 0 HA SER A 72 2.396 -31.576 -6.352 1.00 1.30 H new ATOM 0 HB2 SER A 72 0.189 -30.942 -6.888 1.00 74.12 H new ATOM 0 HB3 SER A 72 0.258 -30.742 -5.149 1.00 74.12 H new ATOM 0 HG SER A 72 -0.688 -28.907 -6.206 1.00 71.15 H new ATOM 1129 N GLU A 73 2.184 -29.749 -8.425 1.00 54.15 N ATOM 1130 CA GLU A 73 2.660 -28.969 -9.562 1.00 32.24 C ATOM 1131 C GLU A 73 2.742 -27.487 -9.207 1.00 55.01 C ATOM 1132 O GLU A 73 3.618 -26.771 -9.692 1.00 13.42 O ATOM 1133 CB GLU A 73 1.736 -29.166 -10.766 1.00 63.43 C ATOM 1134 CG GLU A 73 2.330 -28.675 -12.076 1.00 4.30 C ATOM 1135 CD GLU A 73 1.824 -27.300 -12.466 1.00 64.34 C ATOM 1136 OE1 GLU A 73 0.629 -27.021 -12.236 1.00 73.44 O ATOM 1137 OE2 GLU A 73 2.623 -26.504 -13.003 1.00 34.44 O1- ATOM 0 H GLU A 73 1.386 -30.351 -8.630 1.00 54.15 H new ATOM 0 HA GLU A 73 3.659 -29.320 -9.819 1.00 32.24 H new ATOM 0 HB2 GLU A 73 1.496 -30.225 -10.860 1.00 63.43 H new ATOM 0 HB3 GLU A 73 0.798 -28.642 -10.583 1.00 63.43 H new ATOM 0 HG2 GLU A 73 3.416 -28.648 -11.991 1.00 4.30 H new ATOM 0 HG3 GLU A 73 2.090 -29.385 -12.868 1.00 4.30 H new ATOM 1144 N GLU A 74 1.822 -27.034 -8.360 1.00 75.44 N ATOM 1145 CA GLU A 74 1.790 -25.638 -7.943 1.00 75.14 C ATOM 1146 C GLU A 74 3.035 -25.283 -7.136 1.00 53.23 C ATOM 1147 O GLU A 74 3.637 -24.226 -7.334 1.00 75.32 O ATOM 1148 CB GLU A 74 0.534 -25.359 -7.114 1.00 4.31 C ATOM 1149 CG GLU A 74 -0.760 -25.643 -7.855 1.00 70.42 C ATOM 1150 CD GLU A 74 -1.985 -25.188 -7.086 1.00 24.53 C ATOM 1151 OE1 GLU A 74 -1.855 -24.900 -5.878 1.00 43.43 O1- ATOM 1152 OE2 GLU A 74 -3.075 -25.120 -7.693 1.00 45.14 O ATOM 0 H GLU A 74 1.090 -27.614 -7.950 1.00 75.44 H new ATOM 0 HA GLU A 74 1.770 -25.018 -8.839 1.00 75.14 H new ATOM 0 HB2 GLU A 74 0.565 -25.965 -6.209 1.00 4.31 H new ATOM 0 HB3 GLU A 74 0.541 -24.315 -6.799 1.00 4.31 H new ATOM 0 HG2 GLU A 74 -0.737 -25.143 -8.823 1.00 70.42 H new ATOM 0 HG3 GLU A 74 -0.835 -26.713 -8.050 1.00 70.42 H new ATOM 1159 N LEU A 75 3.416 -26.171 -6.226 1.00 63.43 N ATOM 1160 CA LEU A 75 4.590 -25.952 -5.387 1.00 64.31 C ATOM 1161 C LEU A 75 5.863 -25.933 -6.228 1.00 22.34 C ATOM 1162 O LEU A 75 6.840 -25.270 -5.877 1.00 61.31 O ATOM 1163 CB LEU A 75 4.687 -27.042 -4.318 1.00 10.00 C ATOM 1164 CG LEU A 75 5.122 -26.579 -2.927 1.00 33.53 C ATOM 1165 CD1 LEU A 75 4.318 -27.295 -1.851 1.00 53.42 C ATOM 1166 CD2 LEU A 75 6.612 -26.815 -2.727 1.00 73.21 C ATOM 0 H LEU A 75 2.930 -27.050 -6.049 1.00 63.43 H new ATOM 0 HA LEU A 75 4.484 -24.983 -4.900 1.00 64.31 H new ATOM 0 HB2 LEU A 75 3.714 -27.525 -4.231 1.00 10.00 H new ATOM 0 HB3 LEU A 75 5.390 -27.800 -4.663 1.00 10.00 H new ATOM 0 HG LEU A 75 4.930 -25.509 -2.845 1.00 33.53 H new ATOM 0 HD11 LEU A 75 4.641 -26.953 -0.868 1.00 53.42 H new ATOM 0 HD12 LEU A 75 3.258 -27.075 -1.982 1.00 53.42 H new ATOM 0 HD13 LEU A 75 4.478 -28.370 -1.932 1.00 53.42 H new ATOM 0 HD21 LEU A 75 6.903 -26.479 -1.732 1.00 73.21 H new ATOM 0 HD22 LEU A 75 6.829 -27.878 -2.829 1.00 73.21 H new ATOM 0 HD23 LEU A 75 7.173 -26.257 -3.477 1.00 73.21 H new ATOM 1178 N ARG A 76 5.845 -26.664 -7.338 1.00 33.11 N ATOM 1179 CA ARG A 76 6.997 -26.730 -8.228 1.00 52.43 C ATOM 1180 C ARG A 76 7.224 -25.391 -8.925 1.00 14.44 C ATOM 1181 O ARG A 76 8.282 -24.778 -8.785 1.00 3.54 O ATOM 1182 CB ARG A 76 6.801 -27.831 -9.270 1.00 22.21 C ATOM 1183 CG ARG A 76 7.536 -29.120 -8.940 1.00 0.21 C ATOM 1184 CD ARG A 76 8.293 -29.654 -10.146 1.00 65.52 C ATOM 1185 NE ARG A 76 7.426 -29.815 -11.310 1.00 34.22 N ATOM 1186 CZ ARG A 76 6.591 -30.836 -11.469 1.00 54.22 C ATOM 1187 NH1 ARG A 76 6.511 -31.781 -10.544 1.00 24.21 N1+ ATOM 1188 NH2 ARG A 76 5.833 -30.912 -12.556 1.00 40.40 N ATOM 0 H ARG A 76 5.045 -27.219 -7.642 1.00 33.11 H new ATOM 0 HA ARG A 76 7.876 -26.961 -7.626 1.00 52.43 H new ATOM 0 HB2 ARG A 76 5.736 -28.044 -9.365 1.00 22.21 H new ATOM 0 HB3 ARG A 76 7.141 -27.467 -10.239 1.00 22.21 H new ATOM 0 HG2 ARG A 76 8.233 -28.943 -8.121 1.00 0.21 H new ATOM 0 HG3 ARG A 76 6.823 -29.869 -8.596 1.00 0.21 H new ATOM 0 HD2 ARG A 76 9.108 -28.974 -10.393 1.00 65.52 H new ATOM 0 HD3 ARG A 76 8.744 -30.614 -9.895 1.00 65.52 H new ATOM 0 HE ARG A 76 7.464 -29.105 -12.041 1.00 34.22 H new ATOM 0 HH11 ARG A 76 7.091 -31.726 -9.707 1.00 24.21 H new ATOM 0 HH12 ARG A 76 5.869 -32.564 -10.669 1.00 24.21 H new ATOM 0 HH21 ARG A 76 5.891 -30.186 -13.270 1.00 40.40 H new ATOM 0 HH22 ARG A 76 5.192 -31.696 -12.677 1.00 40.40 H new ATOM 1202 N SER A 77 6.222 -24.944 -9.674 1.00 55.43 N ATOM 1203 CA SER A 77 6.314 -23.679 -10.397 1.00 33.52 C ATOM 1204 C SER A 77 6.723 -22.547 -9.459 1.00 72.42 C ATOM 1205 O SER A 77 7.388 -21.596 -9.870 1.00 44.42 O ATOM 1206 CB SER A 77 4.976 -23.348 -11.061 1.00 25.45 C ATOM 1207 OG SER A 77 4.836 -24.033 -12.294 1.00 32.54 O ATOM 0 H SER A 77 5.338 -25.437 -9.797 1.00 55.43 H new ATOM 0 HA SER A 77 7.078 -23.784 -11.168 1.00 33.52 H new ATOM 0 HB2 SER A 77 4.158 -23.621 -10.394 1.00 25.45 H new ATOM 0 HB3 SER A 77 4.905 -22.273 -11.228 1.00 25.45 H new ATOM 0 HG SER A 77 3.972 -23.806 -12.698 1.00 32.54 H new ATOM 1213 N LEU A 78 6.320 -22.656 -8.199 1.00 33.51 N ATOM 1214 CA LEU A 78 6.644 -21.642 -7.201 1.00 63.11 C ATOM 1215 C LEU A 78 8.130 -21.669 -6.861 1.00 54.42 C ATOM 1216 O LEU A 78 8.869 -20.739 -7.190 1.00 24.52 O ATOM 1217 CB LEU A 78 5.815 -21.862 -5.935 1.00 3.55 C ATOM 1218 CG LEU A 78 4.767 -20.793 -5.624 1.00 14.04 C ATOM 1219 CD1 LEU A 78 3.769 -20.676 -6.766 1.00 60.41 C ATOM 1220 CD2 LEU A 78 4.052 -21.110 -4.319 1.00 12.41 C ATOM 0 H LEU A 78 5.768 -23.436 -7.843 1.00 33.51 H new ATOM 0 HA LEU A 78 6.404 -20.665 -7.620 1.00 63.11 H new ATOM 0 HB2 LEU A 78 5.310 -22.824 -6.019 1.00 3.55 H new ATOM 0 HB3 LEU A 78 6.496 -21.932 -5.087 1.00 3.55 H new ATOM 0 HG LEU A 78 5.275 -19.835 -5.513 1.00 14.04 H new ATOM 0 HD11 LEU A 78 3.031 -19.911 -6.527 1.00 60.41 H new ATOM 0 HD12 LEU A 78 4.294 -20.401 -7.681 1.00 60.41 H new ATOM 0 HD13 LEU A 78 3.266 -21.633 -6.909 1.00 60.41 H new ATOM 0 HD21 LEU A 78 3.310 -20.338 -4.114 1.00 12.41 H new ATOM 0 HD22 LEU A 78 3.556 -22.077 -4.401 1.00 12.41 H new ATOM 0 HD23 LEU A 78 4.777 -21.142 -3.505 1.00 12.41 H new ATOM 1232 N TYR A 79 8.562 -22.738 -6.203 1.00 63.14 N ATOM 1233 CA TYR A 79 9.961 -22.886 -5.819 1.00 31.04 C ATOM 1234 C TYR A 79 10.881 -22.680 -7.018 1.00 64.55 C ATOM 1235 O TYR A 79 12.014 -22.224 -6.875 1.00 42.32 O ATOM 1236 CB TYR A 79 10.201 -24.268 -5.208 1.00 54.23 C ATOM 1237 CG TYR A 79 11.570 -24.425 -4.584 1.00 61.32 C ATOM 1238 CD1 TYR A 79 11.879 -23.810 -3.377 1.00 53.22 C ATOM 1239 CD2 TYR A 79 12.553 -25.187 -5.202 1.00 71.24 C ATOM 1240 CE1 TYR A 79 13.128 -23.951 -2.805 1.00 12.44 C ATOM 1241 CE2 TYR A 79 13.805 -25.334 -4.636 1.00 33.23 C ATOM 1242 CZ TYR A 79 14.087 -24.714 -3.437 1.00 1.34 C ATOM 1243 OH TYR A 79 15.333 -24.856 -2.869 1.00 74.32 O ATOM 0 H TYR A 79 7.964 -23.516 -5.924 1.00 63.14 H new ATOM 0 HA TYR A 79 10.189 -22.123 -5.075 1.00 31.04 H new ATOM 0 HB2 TYR A 79 9.441 -24.458 -4.450 1.00 54.23 H new ATOM 0 HB3 TYR A 79 10.075 -25.025 -5.982 1.00 54.23 H new ATOM 0 HD1 TYR A 79 11.130 -23.212 -2.878 1.00 53.22 H new ATOM 0 HD2 TYR A 79 12.335 -25.673 -6.141 1.00 71.24 H new ATOM 0 HE1 TYR A 79 13.353 -23.466 -1.867 1.00 12.44 H new ATOM 0 HE2 TYR A 79 14.558 -25.931 -5.130 1.00 33.23 H new ATOM 0 HH TYR A 79 15.890 -25.425 -3.440 1.00 74.32 H new ATOM 1253 N ASN A 80 10.382 -23.021 -8.202 1.00 44.30 N ATOM 1254 CA ASN A 80 11.159 -22.875 -9.429 1.00 23.54 C ATOM 1255 C ASN A 80 11.285 -21.405 -9.820 1.00 64.51 C ATOM 1256 O ASN A 80 12.384 -20.911 -10.071 1.00 74.13 O ATOM 1257 CB ASN A 80 10.507 -23.663 -10.566 1.00 23.51 C ATOM 1258 CG ASN A 80 10.899 -25.129 -10.554 1.00 11.44 C ATOM 1259 OD1 ASN A 80 12.067 -25.468 -10.364 1.00 73.33 O ATOM 1260 ND2 ASN A 80 9.922 -26.004 -10.757 1.00 31.42 N ATOM 0 H ASN A 80 9.445 -23.400 -8.338 1.00 44.30 H new ATOM 0 HA ASN A 80 12.158 -23.272 -9.248 1.00 23.54 H new ATOM 0 HB2 ASN A 80 9.423 -23.579 -10.487 1.00 23.51 H new ATOM 0 HB3 ASN A 80 10.793 -23.221 -11.521 1.00 23.51 H new ATOM 0 HD21 ASN A 80 10.125 -27.004 -10.760 1.00 31.42 H new ATOM 0 HD22 ASN A 80 8.968 -25.677 -10.910 1.00 31.42 H new ATOM 1267 N THR A 81 10.151 -20.713 -9.869 1.00 41.32 N ATOM 1268 CA THR A 81 10.134 -19.300 -10.231 1.00 42.13 C ATOM 1269 C THR A 81 10.836 -18.454 -9.174 1.00 22.11 C ATOM 1270 O THR A 81 11.788 -17.733 -9.474 1.00 73.14 O ATOM 1271 CB THR A 81 8.695 -18.784 -10.413 1.00 64.13 C ATOM 1272 OG1 THR A 81 8.010 -19.576 -11.389 1.00 64.24 O ATOM 1273 CG2 THR A 81 8.693 -17.326 -10.844 1.00 23.10 C ATOM 0 H THR A 81 9.233 -21.107 -9.663 1.00 41.32 H new ATOM 0 HA THR A 81 10.666 -19.209 -11.178 1.00 42.13 H new ATOM 0 HB THR A 81 8.181 -18.864 -9.455 1.00 64.13 H new ATOM 0 HG1 THR A 81 7.922 -20.495 -11.061 1.00 64.24 H new ATOM 0 HG21 THR A 81 7.665 -16.984 -10.966 1.00 23.10 H new ATOM 0 HG22 THR A 81 9.189 -16.721 -10.085 1.00 23.10 H new ATOM 0 HG23 THR A 81 9.224 -17.226 -11.791 1.00 23.10 H new ATOM 1281 N ILE A 82 10.361 -18.548 -7.937 1.00 31.21 N ATOM 1282 CA ILE A 82 10.944 -17.792 -6.835 1.00 73.34 C ATOM 1283 C ILE A 82 12.454 -17.996 -6.768 1.00 0.22 C ATOM 1284 O ILE A 82 13.192 -17.110 -6.337 1.00 22.35 O ATOM 1285 CB ILE A 82 10.322 -18.193 -5.486 1.00 33.23 C ATOM 1286 CG1 ILE A 82 8.808 -17.968 -5.510 1.00 11.32 C ATOM 1287 CG2 ILE A 82 10.962 -17.405 -4.352 1.00 14.01 C ATOM 1288 CD1 ILE A 82 8.016 -19.122 -4.939 1.00 4.12 C ATOM 0 H ILE A 82 9.574 -19.140 -7.672 1.00 31.21 H new ATOM 0 HA ILE A 82 10.730 -16.740 -7.025 1.00 73.34 H new ATOM 0 HB ILE A 82 10.510 -19.253 -5.317 1.00 33.23 H new ATOM 0 HG12 ILE A 82 8.574 -17.064 -4.947 1.00 11.32 H new ATOM 0 HG13 ILE A 82 8.491 -17.794 -6.538 1.00 11.32 H new ATOM 0 HG21 ILE A 82 10.511 -17.700 -3.404 1.00 14.01 H new ATOM 0 HG22 ILE A 82 12.032 -17.611 -4.325 1.00 14.01 H new ATOM 0 HG23 ILE A 82 10.802 -16.339 -4.514 1.00 14.01 H new ATOM 0 HD11 ILE A 82 6.952 -18.893 -4.989 1.00 4.12 H new ATOM 0 HD12 ILE A 82 8.220 -20.024 -5.516 1.00 4.12 H new ATOM 0 HD13 ILE A 82 8.305 -19.283 -3.900 1.00 4.12 H new ATOM 1300 N ALA A 83 12.906 -19.169 -7.198 1.00 63.01 N ATOM 1301 CA ALA A 83 14.329 -19.488 -7.190 1.00 33.45 C ATOM 1302 C ALA A 83 15.096 -18.607 -8.170 1.00 15.34 C ATOM 1303 O ALA A 83 16.211 -18.170 -7.886 1.00 21.12 O ATOM 1304 CB ALA A 83 14.542 -20.958 -7.522 1.00 74.21 C ATOM 0 H ALA A 83 12.308 -19.914 -7.556 1.00 63.01 H new ATOM 0 HA ALA A 83 14.714 -19.292 -6.189 1.00 33.45 H new ATOM 0 HB1 ALA A 83 15.609 -21.182 -7.513 1.00 74.21 H new ATOM 0 HB2 ALA A 83 14.035 -21.576 -6.781 1.00 74.21 H new ATOM 0 HB3 ALA A 83 14.135 -21.170 -8.511 1.00 74.21 H new ATOM 1310 N VAL A 84 14.490 -18.347 -9.324 1.00 60.35 N ATOM 1311 CA VAL A 84 15.116 -17.516 -10.346 1.00 20.30 C ATOM 1312 C VAL A 84 15.080 -16.044 -9.954 1.00 43.23 C ATOM 1313 O VAL A 84 16.029 -15.299 -10.208 1.00 32.22 O ATOM 1314 CB VAL A 84 14.425 -17.690 -11.711 1.00 15.00 C ATOM 1315 CG1 VAL A 84 15.073 -16.794 -12.756 1.00 71.21 C ATOM 1316 CG2 VAL A 84 14.465 -19.146 -12.147 1.00 71.42 C ATOM 0 H VAL A 84 13.566 -18.700 -9.575 1.00 60.35 H new ATOM 0 HA VAL A 84 16.153 -17.842 -10.428 1.00 20.30 H new ATOM 0 HB VAL A 84 13.381 -17.394 -11.610 1.00 15.00 H new ATOM 0 HG11 VAL A 84 14.571 -16.931 -13.714 1.00 71.21 H new ATOM 0 HG12 VAL A 84 14.986 -15.752 -12.446 1.00 71.21 H new ATOM 0 HG13 VAL A 84 16.126 -17.056 -12.857 1.00 71.21 H new ATOM 0 HG21 VAL A 84 13.972 -19.250 -13.114 1.00 71.42 H new ATOM 0 HG22 VAL A 84 15.502 -19.472 -12.231 1.00 71.42 H new ATOM 0 HG23 VAL A 84 13.950 -19.761 -11.409 1.00 71.42 H new ATOM 1326 N LEU A 85 13.982 -15.629 -9.334 1.00 2.12 N ATOM 1327 CA LEU A 85 13.823 -14.244 -8.905 1.00 15.04 C ATOM 1328 C LEU A 85 14.760 -13.921 -7.745 1.00 0.03 C ATOM 1329 O LEU A 85 15.377 -12.856 -7.709 1.00 75.52 O ATOM 1330 CB LEU A 85 12.374 -13.980 -8.493 1.00 34.32 C ATOM 1331 CG LEU A 85 11.902 -12.528 -8.586 1.00 41.34 C ATOM 1332 CD1 LEU A 85 11.678 -12.133 -10.038 1.00 53.31 C ATOM 1333 CD2 LEU A 85 10.631 -12.326 -7.775 1.00 22.12 C ATOM 0 H LEU A 85 13.188 -16.231 -9.117 1.00 2.12 H new ATOM 0 HA LEU A 85 14.079 -13.598 -9.745 1.00 15.04 H new ATOM 0 HB2 LEU A 85 11.723 -14.593 -9.116 1.00 34.32 H new ATOM 0 HB3 LEU A 85 12.242 -14.318 -7.465 1.00 34.32 H new ATOM 0 HG LEU A 85 12.679 -11.886 -8.171 1.00 41.34 H new ATOM 0 HD11 LEU A 85 11.342 -11.097 -10.086 1.00 53.31 H new ATOM 0 HD12 LEU A 85 12.611 -12.238 -10.592 1.00 53.31 H new ATOM 0 HD13 LEU A 85 10.920 -12.781 -10.478 1.00 53.31 H new ATOM 0 HD21 LEU A 85 10.311 -11.287 -7.853 1.00 22.12 H new ATOM 0 HD22 LEU A 85 9.846 -12.978 -8.160 1.00 22.12 H new ATOM 0 HD23 LEU A 85 10.824 -12.568 -6.730 1.00 22.12 H new ATOM 1345 N TYR A 86 14.863 -14.848 -6.799 1.00 72.45 N ATOM 1346 CA TYR A 86 15.724 -14.663 -5.638 1.00 42.33 C ATOM 1347 C TYR A 86 17.169 -14.419 -6.065 1.00 25.31 C ATOM 1348 O TYR A 86 17.795 -13.442 -5.651 1.00 30.55 O ATOM 1349 CB TYR A 86 15.651 -15.885 -4.722 1.00 10.05 C ATOM 1350 CG TYR A 86 16.666 -15.864 -3.601 1.00 13.33 C ATOM 1351 CD1 TYR A 86 16.608 -14.900 -2.603 1.00 22.01 C ATOM 1352 CD2 TYR A 86 17.683 -16.809 -3.541 1.00 35.10 C ATOM 1353 CE1 TYR A 86 17.533 -14.877 -1.578 1.00 1.22 C ATOM 1354 CE2 TYR A 86 18.611 -16.794 -2.519 1.00 25.11 C ATOM 1355 CZ TYR A 86 18.534 -15.826 -1.540 1.00 72.33 C ATOM 1356 OH TYR A 86 19.457 -15.807 -0.519 1.00 63.44 O ATOM 0 H TYR A 86 14.360 -15.735 -6.814 1.00 72.45 H new ATOM 0 HA TYR A 86 15.372 -13.787 -5.093 1.00 42.33 H new ATOM 0 HB2 TYR A 86 14.651 -15.948 -4.294 1.00 10.05 H new ATOM 0 HB3 TYR A 86 15.800 -16.785 -5.319 1.00 10.05 H new ATOM 0 HD1 TYR A 86 15.826 -14.156 -2.629 1.00 22.01 H new ATOM 0 HD2 TYR A 86 17.749 -17.568 -4.307 1.00 35.10 H new ATOM 0 HE1 TYR A 86 17.473 -14.120 -0.810 1.00 1.22 H new ATOM 0 HE2 TYR A 86 19.394 -17.537 -2.486 1.00 25.11 H new ATOM 0 HH TYR A 86 20.093 -16.543 -0.639 1.00 63.44 H new ATOM 1366 N CYS A 87 17.692 -15.314 -6.895 1.00 23.25 N ATOM 1367 CA CYS A 87 19.063 -15.199 -7.379 1.00 42.12 C ATOM 1368 C CYS A 87 19.315 -13.817 -7.972 1.00 50.42 C ATOM 1369 O CYS A 87 20.436 -13.308 -7.933 1.00 15.33 O ATOM 1370 CB CYS A 87 19.349 -16.276 -8.425 1.00 60.45 C ATOM 1371 SG CYS A 87 19.409 -17.957 -7.759 1.00 15.32 S ATOM 0 H CYS A 87 17.187 -16.128 -7.247 1.00 23.25 H new ATOM 0 HA CYS A 87 19.734 -15.339 -6.532 1.00 42.12 H new ATOM 0 HB2 CYS A 87 18.581 -16.230 -9.197 1.00 60.45 H new ATOM 0 HB3 CYS A 87 20.301 -16.054 -8.908 1.00 60.45 H new ATOM 0 HG CYS A 87 18.201 -18.425 -7.652 1.00 15.32 H new ATOM 1377 N VAL A 88 18.267 -13.215 -8.523 1.00 72.22 N ATOM 1378 CA VAL A 88 18.374 -11.891 -9.127 1.00 3.23 C ATOM 1379 C VAL A 88 18.521 -10.812 -8.060 1.00 11.33 C ATOM 1380 O VAL A 88 19.256 -9.841 -8.240 1.00 40.42 O ATOM 1381 CB VAL A 88 17.147 -11.571 -10.000 1.00 15.34 C ATOM 1382 CG1 VAL A 88 17.307 -10.214 -10.668 1.00 72.52 C ATOM 1383 CG2 VAL A 88 16.931 -12.664 -11.036 1.00 13.33 C ATOM 0 H VAL A 88 17.333 -13.623 -8.564 1.00 72.22 H new ATOM 0 HA VAL A 88 19.264 -11.900 -9.756 1.00 3.23 H new ATOM 0 HB VAL A 88 16.266 -11.532 -9.359 1.00 15.34 H new ATOM 0 HG11 VAL A 88 16.430 -10.005 -11.281 1.00 72.52 H new ATOM 0 HG12 VAL A 88 17.409 -9.442 -9.905 1.00 72.52 H new ATOM 0 HG13 VAL A 88 18.197 -10.221 -11.298 1.00 72.52 H new ATOM 0 HG21 VAL A 88 16.060 -12.422 -11.644 1.00 13.33 H new ATOM 0 HG22 VAL A 88 17.811 -12.738 -11.675 1.00 13.33 H new ATOM 0 HG23 VAL A 88 16.768 -13.616 -10.532 1.00 13.33 H new ATOM 1393 N HIS A 89 17.817 -10.989 -6.946 1.00 52.42 N ATOM 1394 CA HIS A 89 17.870 -10.030 -5.847 1.00 35.41 C ATOM 1395 C HIS A 89 19.098 -10.271 -4.975 1.00 72.51 C ATOM 1396 O HIS A 89 19.375 -9.410 -4.140 1.00 63.42 O ATOM 1397 CB HIS A 89 16.601 -10.124 -4.999 1.00 43.21 C ATOM 1398 CG HIS A 89 15.348 -9.818 -5.760 1.00 13.35 C ATOM 1399 ND1 HIS A 89 15.314 -8.964 -6.841 1.00 52.14 N ATOM 1400 CD2 HIS A 89 14.079 -10.255 -5.589 1.00 30.41 C ATOM 1401 CE1 HIS A 89 14.078 -8.890 -7.303 1.00 63.34 C ATOM 1402 NE2 HIS A 89 13.309 -9.666 -6.561 1.00 32.20 N ATOM 0 H HIS A 89 17.204 -11.787 -6.780 1.00 52.42 H new ATOM 0 HA HIS A 89 17.940 -9.029 -6.273 1.00 35.41 H new ATOM 0 HB2 HIS A 89 16.527 -11.128 -4.581 1.00 43.21 H new ATOM 0 HB3 HIS A 89 16.683 -9.435 -4.159 1.00 43.21 H new ATOM 0 HD2 HIS A 89 13.735 -10.940 -4.828 1.00 30.41 H new ATOM 0 HE1 HIS A 89 13.752 -8.296 -8.144 1.00 63.34 H new ATOM 0 HE2 HIS A 89 12.307 -9.805 -6.689 1.00 32.20 H new ATOM 1411 N GLN A 90 19.815 -11.378 -5.141 1.00 23.35 N ATOM 1412 CA GLN A 90 20.995 -11.651 -4.329 1.00 63.33 C ATOM 1413 C GLN A 90 22.271 -11.322 -5.097 1.00 64.20 C ATOM 1414 O GLN A 90 22.941 -10.330 -4.810 1.00 71.11 O ATOM 1415 CB GLN A 90 21.012 -13.118 -3.894 1.00 41.33 C ATOM 1416 CG GLN A 90 20.746 -13.316 -2.410 1.00 74.03 C ATOM 1417 CD GLN A 90 21.619 -14.393 -1.798 1.00 51.14 C ATOM 1418 OE1 GLN A 90 22.032 -15.333 -2.477 1.00 74.13 O ATOM 1419 NE2 GLN A 90 21.905 -14.262 -0.508 1.00 35.31 N ATOM 0 H GLN A 90 19.600 -12.099 -5.829 1.00 23.35 H new ATOM 0 HA GLN A 90 20.951 -11.017 -3.443 1.00 63.33 H new ATOM 0 HB2 GLN A 90 20.263 -13.666 -4.465 1.00 41.33 H new ATOM 0 HB3 GLN A 90 21.981 -13.551 -4.142 1.00 41.33 H new ATOM 0 HG2 GLN A 90 20.916 -12.375 -1.886 1.00 74.03 H new ATOM 0 HG3 GLN A 90 19.698 -13.577 -2.265 1.00 74.03 H new ATOM 0 HE21 GLN A 90 21.541 -13.467 0.017 1.00 35.31 H new ATOM 0 HE22 GLN A 90 22.488 -14.957 -0.042 1.00 35.31 H new ATOM 1428 N ARG A 91 22.602 -12.161 -6.073 1.00 15.42 N ATOM 1429 CA ARG A 91 23.798 -11.959 -6.882 1.00 4.23 C ATOM 1430 C ARG A 91 23.931 -13.051 -7.938 1.00 44.10 C ATOM 1431 O ARG A 91 24.392 -12.798 -9.051 1.00 51.55 O ATOM 1432 CB ARG A 91 25.043 -11.941 -5.992 1.00 2.33 C ATOM 1433 CG ARG A 91 25.828 -10.642 -6.068 1.00 74.40 C ATOM 1434 CD ARG A 91 27.000 -10.641 -5.100 1.00 32.34 C ATOM 1435 NE ARG A 91 28.027 -11.607 -5.482 1.00 32.15 N ATOM 1436 CZ ARG A 91 29.263 -11.596 -4.996 1.00 42.41 C ATOM 1437 NH1 ARG A 91 29.624 -10.673 -4.115 1.00 25.21 N1+ ATOM 1438 NH2 ARG A 91 30.141 -12.508 -5.392 1.00 25.22 N ATOM 0 H ARG A 91 22.059 -12.987 -6.323 1.00 15.42 H new ATOM 0 HA ARG A 91 23.706 -10.998 -7.388 1.00 4.23 H new ATOM 0 HB2 ARG A 91 24.743 -12.114 -4.959 1.00 2.33 H new ATOM 0 HB3 ARG A 91 25.695 -12.767 -6.277 1.00 2.33 H new ATOM 0 HG2 ARG A 91 26.194 -10.496 -7.084 1.00 74.40 H new ATOM 0 HG3 ARG A 91 25.169 -9.804 -5.843 1.00 74.40 H new ATOM 0 HD2 ARG A 91 27.437 -9.643 -5.061 1.00 32.34 H new ATOM 0 HD3 ARG A 91 26.642 -10.871 -4.097 1.00 32.34 H new ATOM 0 HE ARG A 91 27.781 -12.329 -6.159 1.00 32.15 H new ATOM 0 HH11 ARG A 91 28.952 -9.969 -3.809 1.00 25.21 H new ATOM 0 HH12 ARG A 91 30.574 -10.667 -3.743 1.00 25.21 H new ATOM 0 HH21 ARG A 91 29.867 -13.219 -6.070 1.00 25.22 H new ATOM 0 HH22 ARG A 91 31.090 -12.499 -5.018 1.00 25.22 H new ATOM 1452 N ILE A 92 23.524 -14.265 -7.582 1.00 62.11 N ATOM 1453 CA ILE A 92 23.598 -15.394 -8.500 1.00 24.42 C ATOM 1454 C ILE A 92 22.934 -15.064 -9.832 1.00 71.34 C ATOM 1455 O ILE A 92 21.792 -14.606 -9.872 1.00 53.04 O ATOM 1456 CB ILE A 92 22.931 -16.649 -7.904 1.00 13.24 C ATOM 1457 CG1 ILE A 92 23.596 -17.026 -6.579 1.00 2.43 C ATOM 1458 CG2 ILE A 92 23.004 -17.806 -8.889 1.00 0.13 C ATOM 1459 CD1 ILE A 92 22.623 -17.149 -5.428 1.00 32.40 C ATOM 0 H ILE A 92 23.140 -14.491 -6.665 1.00 62.11 H new ATOM 0 HA ILE A 92 24.656 -15.598 -8.665 1.00 24.42 H new ATOM 0 HB ILE A 92 21.881 -16.428 -7.711 1.00 13.24 H new ATOM 0 HG12 ILE A 92 24.122 -17.973 -6.702 1.00 2.43 H new ATOM 0 HG13 ILE A 92 24.346 -16.275 -6.331 1.00 2.43 H new ATOM 0 HG21 ILE A 92 22.529 -18.685 -8.454 1.00 0.13 H new ATOM 0 HG22 ILE A 92 22.488 -17.533 -9.810 1.00 0.13 H new ATOM 0 HG23 ILE A 92 24.047 -18.030 -9.111 1.00 0.13 H new ATOM 0 HD11 ILE A 92 23.164 -17.418 -4.521 1.00 32.40 H new ATOM 0 HD12 ILE A 92 22.115 -16.196 -5.278 1.00 32.40 H new ATOM 0 HD13 ILE A 92 21.887 -17.921 -5.654 1.00 32.40 H new ATOM 1471 N ASP A 93 23.656 -15.301 -10.922 1.00 43.13 N ATOM 1472 CA ASP A 93 23.137 -15.032 -12.257 1.00 52.23 C ATOM 1473 C ASP A 93 23.035 -16.319 -13.071 1.00 14.14 C ATOM 1474 O ASP A 93 23.770 -16.515 -14.038 1.00 14.12 O ATOM 1475 CB ASP A 93 24.032 -14.026 -12.983 1.00 70.21 C ATOM 1476 CG ASP A 93 25.507 -14.330 -12.806 1.00 62.41 C ATOM 1477 OD1 ASP A 93 25.856 -15.523 -12.685 1.00 25.35 O ATOM 1478 OD2 ASP A 93 26.312 -13.376 -12.790 1.00 22.31 O1- ATOM 0 H ASP A 93 24.603 -15.679 -10.906 1.00 43.13 H new ATOM 0 HA ASP A 93 22.138 -14.609 -12.152 1.00 52.23 H new ATOM 0 HB2 ASP A 93 23.789 -14.028 -14.045 1.00 70.21 H new ATOM 0 HB3 ASP A 93 23.823 -13.023 -12.610 1.00 70.21 H new ATOM 1483 N VAL A 94 22.117 -17.194 -12.671 1.00 52.51 N ATOM 1484 CA VAL A 94 21.918 -18.462 -13.361 1.00 60.24 C ATOM 1485 C VAL A 94 21.255 -18.250 -14.719 1.00 25.15 C ATOM 1486 O VAL A 94 20.548 -17.265 -14.929 1.00 52.43 O ATOM 1487 CB VAL A 94 21.056 -19.427 -12.526 1.00 61.52 C ATOM 1488 CG1 VAL A 94 21.675 -19.643 -11.153 1.00 64.54 C ATOM 1489 CG2 VAL A 94 19.635 -18.900 -12.402 1.00 21.24 C ATOM 0 H VAL A 94 21.500 -17.047 -11.872 1.00 52.51 H new ATOM 0 HA VAL A 94 22.905 -18.902 -13.506 1.00 60.24 H new ATOM 0 HB VAL A 94 21.019 -20.389 -13.037 1.00 61.52 H new ATOM 0 HG11 VAL A 94 21.052 -20.328 -10.577 1.00 64.54 H new ATOM 0 HG12 VAL A 94 22.672 -20.068 -11.266 1.00 64.54 H new ATOM 0 HG13 VAL A 94 21.744 -18.689 -10.631 1.00 64.54 H new ATOM 0 HG21 VAL A 94 19.040 -19.594 -11.809 1.00 21.24 H new ATOM 0 HG22 VAL A 94 19.650 -17.926 -11.914 1.00 21.24 H new ATOM 0 HG23 VAL A 94 19.195 -18.802 -13.395 1.00 21.24 H new ATOM 1499 N LYS A 95 21.486 -19.183 -15.635 1.00 63.31 N ATOM 1500 CA LYS A 95 20.910 -19.102 -16.973 1.00 30.25 C ATOM 1501 C LYS A 95 19.510 -19.705 -16.999 1.00 54.11 C ATOM 1502 O LYS A 95 18.679 -19.334 -17.830 1.00 22.12 O ATOM 1503 CB LYS A 95 21.807 -19.823 -17.981 1.00 10.30 C ATOM 1504 CG LYS A 95 22.949 -18.967 -18.500 1.00 1.41 C ATOM 1505 CD LYS A 95 24.299 -19.526 -18.083 1.00 65.21 C ATOM 1506 CE LYS A 95 25.427 -18.556 -18.400 1.00 33.02 C ATOM 1507 NZ LYS A 95 26.703 -18.957 -17.745 1.00 54.42 N1+ ATOM 0 H LYS A 95 22.068 -20.005 -15.476 1.00 63.31 H new ATOM 0 HA LYS A 95 20.838 -18.050 -17.248 1.00 30.25 H new ATOM 0 HB2 LYS A 95 22.218 -20.718 -17.514 1.00 10.30 H new ATOM 0 HB3 LYS A 95 21.200 -20.154 -18.824 1.00 10.30 H new ATOM 0 HG2 LYS A 95 22.898 -18.911 -19.587 1.00 1.41 H new ATOM 0 HG3 LYS A 95 22.843 -17.950 -18.123 1.00 1.41 H new ATOM 0 HD2 LYS A 95 24.291 -19.739 -17.014 1.00 65.21 H new ATOM 0 HD3 LYS A 95 24.476 -20.472 -18.595 1.00 65.21 H new ATOM 0 HE2 LYS A 95 25.572 -18.508 -19.479 1.00 33.02 H new ATOM 0 HE3 LYS A 95 25.149 -17.555 -18.071 1.00 33.02 H new ATOM 0 HZ1 LYS A 95 27.447 -18.271 -17.985 1.00 54.42 H new ATOM 0 HZ2 LYS A 95 26.572 -18.979 -16.714 1.00 54.42 H new ATOM 0 HZ3 LYS A 95 26.982 -19.902 -18.078 1.00 54.42 H new ATOM 1521 N ASP A 96 19.253 -20.635 -16.086 1.00 30.31 N ATOM 1522 CA ASP A 96 17.951 -21.287 -16.003 1.00 44.23 C ATOM 1523 C ASP A 96 17.560 -21.537 -14.550 1.00 32.02 C ATOM 1524 O ASP A 96 18.290 -21.175 -13.628 1.00 10.44 O ATOM 1525 CB ASP A 96 17.970 -22.609 -16.773 1.00 43.02 C ATOM 1526 CG ASP A 96 19.216 -23.426 -16.490 1.00 75.14 C ATOM 1527 OD1 ASP A 96 19.415 -23.820 -15.322 1.00 44.14 O ATOM 1528 OD2 ASP A 96 19.991 -23.672 -17.439 1.00 15.14 O1- ATOM 0 H ASP A 96 19.929 -20.955 -15.393 1.00 30.31 H new ATOM 0 HA ASP A 96 17.211 -20.624 -16.451 1.00 44.23 H new ATOM 0 HB2 ASP A 96 17.088 -23.193 -16.509 1.00 43.02 H new ATOM 0 HB3 ASP A 96 17.908 -22.405 -17.842 1.00 43.02 H new ATOM 1533 N THR A 97 16.401 -22.156 -14.353 1.00 23.34 N ATOM 1534 CA THR A 97 15.910 -22.452 -13.012 1.00 63.34 C ATOM 1535 C THR A 97 16.635 -23.652 -12.414 1.00 62.01 C ATOM 1536 O THR A 97 16.843 -23.725 -11.203 1.00 12.22 O ATOM 1537 CB THR A 97 14.395 -22.732 -13.018 1.00 44.42 C ATOM 1538 OG1 THR A 97 13.689 -21.591 -13.517 1.00 33.42 O ATOM 1539 CG2 THR A 97 13.902 -23.068 -11.618 1.00 52.41 C ATOM 0 H THR A 97 15.784 -22.463 -15.105 1.00 23.34 H new ATOM 0 HA THR A 97 16.107 -21.571 -12.401 1.00 63.34 H new ATOM 0 HB THR A 97 14.207 -23.587 -13.667 1.00 44.42 H new ATOM 0 HG1 THR A 97 13.877 -21.482 -14.473 1.00 33.42 H new ATOM 0 HG21 THR A 97 12.830 -23.262 -11.647 1.00 52.41 H new ATOM 0 HG22 THR A 97 14.421 -23.954 -11.252 1.00 52.41 H new ATOM 0 HG23 THR A 97 14.101 -22.229 -10.951 1.00 52.41 H new ATOM 1547 N LYS A 98 17.018 -24.594 -13.270 1.00 54.03 N ATOM 1548 CA LYS A 98 17.722 -25.791 -12.827 1.00 22.12 C ATOM 1549 C LYS A 98 18.944 -25.425 -11.991 1.00 40.41 C ATOM 1550 O LYS A 98 19.171 -25.995 -10.923 1.00 73.32 O ATOM 1551 CB LYS A 98 18.149 -26.632 -14.031 1.00 73.45 C ATOM 1552 CG LYS A 98 18.397 -28.093 -13.696 1.00 42.45 C ATOM 1553 CD LYS A 98 19.757 -28.292 -13.048 1.00 53.12 C ATOM 1554 CE LYS A 98 20.205 -29.744 -13.128 1.00 15.34 C ATOM 1555 NZ LYS A 98 19.161 -30.675 -12.616 1.00 45.55 N1+ ATOM 0 H LYS A 98 16.852 -24.551 -14.276 1.00 54.03 H new ATOM 0 HA LYS A 98 17.041 -26.374 -12.208 1.00 22.12 H new ATOM 0 HB2 LYS A 98 17.378 -26.570 -14.799 1.00 73.45 H new ATOM 0 HB3 LYS A 98 19.058 -26.206 -14.457 1.00 73.45 H new ATOM 0 HG2 LYS A 98 17.617 -28.451 -13.024 1.00 42.45 H new ATOM 0 HG3 LYS A 98 18.335 -28.692 -14.605 1.00 42.45 H new ATOM 0 HD2 LYS A 98 20.492 -27.655 -13.540 1.00 53.12 H new ATOM 0 HD3 LYS A 98 19.713 -27.980 -12.004 1.00 53.12 H new ATOM 0 HE2 LYS A 98 20.440 -29.995 -14.162 1.00 15.34 H new ATOM 0 HE3 LYS A 98 21.121 -29.874 -12.552 1.00 15.34 H new ATOM 0 HZ1 LYS A 98 19.566 -31.627 -12.512 1.00 45.55 H new ATOM 0 HZ2 LYS A 98 18.821 -30.341 -11.692 1.00 45.55 H new ATOM 0 HZ3 LYS A 98 18.367 -30.708 -13.286 1.00 45.55 H new ATOM 1569 N GLU A 99 19.728 -24.470 -12.482 1.00 65.24 N ATOM 1570 CA GLU A 99 20.926 -24.029 -11.778 1.00 41.42 C ATOM 1571 C GLU A 99 20.563 -23.287 -10.495 1.00 71.34 C ATOM 1572 O GLU A 99 21.219 -23.446 -9.466 1.00 61.24 O ATOM 1573 CB GLU A 99 21.771 -23.126 -12.680 1.00 61.10 C ATOM 1574 CG GLU A 99 22.501 -23.877 -13.780 1.00 40.15 C ATOM 1575 CD GLU A 99 23.984 -23.560 -13.819 1.00 72.04 C ATOM 1576 OE1 GLU A 99 24.701 -23.964 -12.881 1.00 53.43 O ATOM 1577 OE2 GLU A 99 24.426 -22.906 -14.788 1.00 34.11 O1- ATOM 0 H GLU A 99 19.555 -23.987 -13.364 1.00 65.24 H new ATOM 0 HA GLU A 99 21.506 -24.913 -11.514 1.00 41.42 H new ATOM 0 HB2 GLU A 99 21.126 -22.373 -13.132 1.00 61.10 H new ATOM 0 HB3 GLU A 99 22.500 -22.595 -12.068 1.00 61.10 H new ATOM 0 HG2 GLU A 99 22.366 -24.949 -13.634 1.00 40.15 H new ATOM 0 HG3 GLU A 99 22.055 -23.628 -14.743 1.00 40.15 H new ATOM 1584 N ALA A 100 19.511 -22.476 -10.566 1.00 4.21 N ATOM 1585 CA ALA A 100 19.058 -21.711 -9.411 1.00 44.40 C ATOM 1586 C ALA A 100 18.672 -22.633 -8.259 1.00 11.31 C ATOM 1587 O ALA A 100 18.723 -22.241 -7.093 1.00 3.45 O ATOM 1588 CB ALA A 100 17.886 -20.821 -9.794 1.00 73.31 C ATOM 0 H ALA A 100 18.958 -22.333 -11.411 1.00 4.21 H new ATOM 0 HA ALA A 100 19.883 -21.082 -9.077 1.00 44.40 H new ATOM 0 HB1 ALA A 100 17.558 -20.256 -8.922 1.00 73.31 H new ATOM 0 HB2 ALA A 100 18.195 -20.131 -10.579 1.00 73.31 H new ATOM 0 HB3 ALA A 100 17.064 -21.438 -10.156 1.00 73.31 H new ATOM 1594 N LEU A 101 18.283 -23.859 -8.593 1.00 52.50 N ATOM 1595 CA LEU A 101 17.886 -24.836 -7.586 1.00 64.43 C ATOM 1596 C LEU A 101 19.109 -25.464 -6.925 1.00 53.41 C ATOM 1597 O LEU A 101 19.123 -25.695 -5.716 1.00 11.03 O ATOM 1598 CB LEU A 101 17.019 -25.926 -8.220 1.00 2.44 C ATOM 1599 CG LEU A 101 15.689 -25.464 -8.816 1.00 60.22 C ATOM 1600 CD1 LEU A 101 15.214 -26.440 -9.881 1.00 21.42 C ATOM 1601 CD2 LEU A 101 14.640 -25.310 -7.724 1.00 73.24 C ATOM 0 H LEU A 101 18.234 -24.200 -9.553 1.00 52.50 H new ATOM 0 HA LEU A 101 17.308 -24.319 -6.821 1.00 64.43 H new ATOM 0 HB2 LEU A 101 17.598 -26.411 -9.006 1.00 2.44 H new ATOM 0 HB3 LEU A 101 16.812 -26.683 -7.464 1.00 2.44 H new ATOM 0 HG LEU A 101 15.841 -24.492 -9.285 1.00 60.22 H new ATOM 0 HD11 LEU A 101 14.266 -26.095 -10.294 1.00 21.42 H new ATOM 0 HD12 LEU A 101 15.956 -26.500 -10.677 1.00 21.42 H new ATOM 0 HD13 LEU A 101 15.079 -27.426 -9.437 1.00 21.42 H new ATOM 0 HD21 LEU A 101 13.700 -24.981 -8.166 1.00 73.24 H new ATOM 0 HD22 LEU A 101 14.490 -26.268 -7.225 1.00 73.24 H new ATOM 0 HD23 LEU A 101 14.977 -24.571 -6.997 1.00 73.24 H new ATOM 1613 N ASP A 102 20.134 -25.735 -7.725 1.00 32.50 N ATOM 1614 CA ASP A 102 21.363 -26.332 -7.216 1.00 62.55 C ATOM 1615 C ASP A 102 22.140 -25.334 -6.363 1.00 65.32 C ATOM 1616 O ASP A 102 22.694 -25.690 -5.323 1.00 40.33 O ATOM 1617 CB ASP A 102 22.236 -26.819 -8.375 1.00 25.34 C ATOM 1618 CG ASP A 102 22.564 -28.296 -8.271 1.00 3.54 C ATOM 1619 OD1 ASP A 102 21.787 -29.115 -8.802 1.00 32.10 O1- ATOM 1620 OD2 ASP A 102 23.600 -28.631 -7.656 1.00 73.54 O ATOM 0 H ASP A 102 20.138 -25.551 -8.728 1.00 32.50 H new ATOM 0 HA ASP A 102 21.093 -27.183 -6.591 1.00 62.55 H new ATOM 0 HB2 ASP A 102 21.723 -26.629 -9.318 1.00 25.34 H new ATOM 0 HB3 ASP A 102 23.162 -26.244 -8.395 1.00 25.34 H new ATOM 1625 N LYS A 103 22.177 -24.084 -6.811 1.00 70.31 N ATOM 1626 CA LYS A 103 22.885 -23.034 -6.090 1.00 12.54 C ATOM 1627 C LYS A 103 22.312 -22.855 -4.687 1.00 54.33 C ATOM 1628 O LYS A 103 23.047 -22.876 -3.699 1.00 70.20 O ATOM 1629 CB LYS A 103 22.802 -21.712 -6.858 1.00 64.22 C ATOM 1630 CG LYS A 103 23.509 -21.745 -8.202 1.00 63.04 C ATOM 1631 CD LYS A 103 24.957 -21.299 -8.081 1.00 51.22 C ATOM 1632 CE LYS A 103 25.727 -21.553 -9.367 1.00 51.34 C ATOM 1633 NZ LYS A 103 25.315 -20.621 -10.454 1.00 24.34 N1+ ATOM 0 H LYS A 103 21.724 -23.773 -7.671 1.00 70.31 H new ATOM 0 HA LYS A 103 23.930 -23.331 -6.002 1.00 12.54 H new ATOM 0 HB2 LYS A 103 21.754 -21.457 -7.014 1.00 64.22 H new ATOM 0 HB3 LYS A 103 23.235 -20.919 -6.248 1.00 64.22 H new ATOM 0 HG2 LYS A 103 23.471 -22.755 -8.609 1.00 63.04 H new ATOM 0 HG3 LYS A 103 22.985 -21.098 -8.906 1.00 63.04 H new ATOM 0 HD2 LYS A 103 24.993 -20.237 -7.838 1.00 51.22 H new ATOM 0 HD3 LYS A 103 25.435 -21.831 -7.258 1.00 51.22 H new ATOM 0 HE2 LYS A 103 26.795 -21.442 -9.179 1.00 51.34 H new ATOM 0 HE3 LYS A 103 25.565 -22.581 -9.690 1.00 51.34 H new ATOM 0 HZ1 LYS A 103 25.025 -21.168 -11.289 1.00 24.34 H new ATOM 0 HZ2 LYS A 103 24.518 -20.038 -10.128 1.00 24.34 H new ATOM 0 HZ3 LYS A 103 26.114 -20.005 -10.705 1.00 24.34 H new ATOM 1647 N ILE A 104 20.998 -22.679 -4.609 1.00 23.25 N ATOM 1648 CA ILE A 104 20.327 -22.500 -3.327 1.00 2.02 C ATOM 1649 C ILE A 104 20.425 -23.759 -2.474 1.00 25.31 C ATOM 1650 O ILE A 104 20.502 -23.686 -1.248 1.00 4.41 O ATOM 1651 CB ILE A 104 18.842 -22.135 -3.515 1.00 24.24 C ATOM 1652 CG1 ILE A 104 18.710 -20.854 -4.341 1.00 32.52 C ATOM 1653 CG2 ILE A 104 18.162 -21.973 -2.164 1.00 23.44 C ATOM 1654 CD1 ILE A 104 17.303 -20.595 -4.831 1.00 75.41 C ATOM 0 H ILE A 104 20.377 -22.656 -5.418 1.00 23.25 H new ATOM 0 HA ILE A 104 20.833 -21.680 -2.818 1.00 2.02 H new ATOM 0 HB ILE A 104 18.349 -22.944 -4.053 1.00 24.24 H new ATOM 0 HG12 ILE A 104 19.038 -20.007 -3.738 1.00 32.52 H new ATOM 0 HG13 ILE A 104 19.380 -20.913 -5.199 1.00 32.52 H new ATOM 0 HG21 ILE A 104 17.113 -21.715 -2.313 1.00 23.44 H new ATOM 0 HG22 ILE A 104 18.230 -22.908 -1.608 1.00 23.44 H new ATOM 0 HG23 ILE A 104 18.654 -21.180 -1.602 1.00 23.44 H new ATOM 0 HD11 ILE A 104 17.283 -19.671 -5.409 1.00 75.41 H new ATOM 0 HD12 ILE A 104 16.979 -21.424 -5.460 1.00 75.41 H new ATOM 0 HD13 ILE A 104 16.632 -20.503 -3.977 1.00 75.41 H new ATOM 1666 N GLU A 105 20.424 -24.915 -3.132 1.00 3.44 N ATOM 1667 CA GLU A 105 20.515 -26.191 -2.432 1.00 71.44 C ATOM 1668 C GLU A 105 21.880 -26.353 -1.769 1.00 44.14 C ATOM 1669 O GLU A 105 21.973 -26.723 -0.599 1.00 50.03 O ATOM 1670 CB GLU A 105 20.267 -27.348 -3.402 1.00 63.31 C ATOM 1671 CG GLU A 105 20.313 -28.716 -2.742 1.00 64.43 C ATOM 1672 CD GLU A 105 21.296 -29.655 -3.415 1.00 0.35 C ATOM 1673 OE1 GLU A 105 21.115 -29.942 -4.616 1.00 1.21 O ATOM 1674 OE2 GLU A 105 22.246 -30.103 -2.739 1.00 14.32 O1- ATOM 0 H GLU A 105 20.361 -24.994 -4.147 1.00 3.44 H new ATOM 0 HA GLU A 105 19.750 -26.205 -1.656 1.00 71.44 H new ATOM 0 HB2 GLU A 105 19.293 -27.214 -3.873 1.00 63.31 H new ATOM 0 HB3 GLU A 105 21.013 -27.312 -4.196 1.00 63.31 H new ATOM 0 HG2 GLU A 105 20.586 -28.600 -1.693 1.00 64.43 H new ATOM 0 HG3 GLU A 105 19.318 -29.160 -2.765 1.00 64.43 H new