USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 90:sc= 0.73 USER MOD Set 1.2: A 97 THR OG1 : rot -114:sc= 0.448 USER MOD Set 2.1: A 86 TYR OH : rot -148:sc= 0.34 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.288 K(o=0.63,f=-0.012) USER MOD Single : A 9 SER OG : rot 180:sc= -0.185 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-7.6!) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00416 USER MOD Single : A 47 ASN : amide:sc= -0.0655 X(o=-0.065,f=-0.043) USER MOD Single : A 53 THR OG1 : rot -22:sc= 1.15 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.334 USER MOD Single : A 59 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.32) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 65 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 K(o=0,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 113:sc= 0.053 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.561 USER MOD Single : A 80 ASN : amide:sc= -0.561 K(o=-0.56,f=0.45) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.252 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.0925 USER MOD Single : A 89 HIS : no HD1:sc= 0.283 K(o=0.88,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 157:sc= -0.0955 (180deg=-0.457) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 14.938 -2.371 4.374 1.00 2.20 N ATOM 64 CA VAL A 7 15.467 -3.711 4.148 1.00 44.54 C ATOM 65 C VAL A 7 14.786 -4.730 5.055 1.00 4.01 C ATOM 66 O VAL A 7 14.046 -5.597 4.589 1.00 11.34 O ATOM 67 CB VAL A 7 16.987 -3.762 4.386 1.00 44.11 C ATOM 68 CG1 VAL A 7 17.518 -5.169 4.155 1.00 51.35 C ATOM 69 CG2 VAL A 7 17.701 -2.761 3.491 1.00 55.13 C ATOM 0 HA VAL A 7 15.262 -3.961 3.107 1.00 44.54 H new ATOM 0 HB VAL A 7 17.183 -3.491 5.424 1.00 44.11 H new ATOM 0 HG11 VAL A 7 18.594 -5.185 4.328 1.00 51.35 H new ATOM 0 HG12 VAL A 7 17.030 -5.860 4.843 1.00 51.35 H new ATOM 0 HG13 VAL A 7 17.311 -5.472 3.129 1.00 51.35 H new ATOM 0 HG21 VAL A 7 18.775 -2.811 3.673 1.00 55.13 H new ATOM 0 HG22 VAL A 7 17.499 -2.998 2.446 1.00 55.13 H new ATOM 0 HG23 VAL A 7 17.342 -1.756 3.711 1.00 55.13 H new ATOM 79 N LEU A 8 15.041 -4.620 6.355 1.00 0.32 N ATOM 80 CA LEU A 8 14.452 -5.531 7.329 1.00 3.35 C ATOM 81 C LEU A 8 13.236 -4.901 8.000 1.00 1.53 C ATOM 82 O LEU A 8 13.322 -3.813 8.568 1.00 13.31 O ATOM 83 CB LEU A 8 15.489 -5.918 8.387 1.00 73.44 C ATOM 84 CG LEU A 8 16.704 -6.698 7.883 1.00 42.23 C ATOM 85 CD1 LEU A 8 17.622 -7.059 9.039 1.00 25.24 C ATOM 86 CD2 LEU A 8 16.262 -7.950 7.139 1.00 43.12 C ATOM 0 H LEU A 8 15.651 -3.909 6.758 1.00 0.32 H new ATOM 0 HA LEU A 8 14.128 -6.428 6.801 1.00 3.35 H new ATOM 0 HB2 LEU A 8 15.842 -5.007 8.871 1.00 73.44 H new ATOM 0 HB3 LEU A 8 14.992 -6.514 9.153 1.00 73.44 H new ATOM 0 HG LEU A 8 17.258 -6.064 7.190 1.00 42.23 H new ATOM 0 HD11 LEU A 8 18.481 -7.614 8.662 1.00 25.24 H new ATOM 0 HD12 LEU A 8 17.965 -6.148 9.529 1.00 25.24 H new ATOM 0 HD13 LEU A 8 17.079 -7.675 9.756 1.00 25.24 H new ATOM 0 HD21 LEU A 8 17.139 -8.493 6.787 1.00 43.12 H new ATOM 0 HD22 LEU A 8 15.686 -8.587 7.810 1.00 43.12 H new ATOM 0 HD23 LEU A 8 15.644 -7.668 6.287 1.00 43.12 H new ATOM 98 N SER A 9 12.104 -5.594 7.930 1.00 42.32 N ATOM 99 CA SER A 9 10.868 -5.102 8.529 1.00 20.53 C ATOM 100 C SER A 9 10.953 -5.132 10.052 1.00 1.52 C ATOM 101 O SER A 9 12.011 -5.396 10.621 1.00 42.21 O ATOM 102 CB SER A 9 9.678 -5.938 8.055 1.00 24.33 C ATOM 103 OG SER A 9 9.483 -7.065 8.892 1.00 53.53 O ATOM 0 H SER A 9 12.017 -6.498 7.465 1.00 42.32 H new ATOM 0 HA SER A 9 10.725 -4.069 8.211 1.00 20.53 H new ATOM 0 HB2 SER A 9 8.777 -5.324 8.050 1.00 24.33 H new ATOM 0 HB3 SER A 9 9.846 -6.267 7.029 1.00 24.33 H new ATOM 0 HG SER A 9 8.716 -7.583 8.570 1.00 53.53 H new ATOM 109 N GLY A 10 9.828 -4.861 10.706 1.00 22.20 N ATOM 110 CA GLY A 10 9.795 -4.862 12.157 1.00 60.01 C ATOM 111 C GLY A 10 10.220 -6.193 12.745 1.00 21.40 C ATOM 112 O GLY A 10 11.101 -6.248 13.602 1.00 31.15 O ATOM 0 H GLY A 10 8.939 -4.641 10.257 1.00 22.20 H new ATOM 0 HA2 GLY A 10 10.450 -4.076 12.533 1.00 60.01 H new ATOM 0 HA3 GLY A 10 8.786 -4.624 12.495 1.00 60.01 H new ATOM 116 N GLY A 11 9.591 -7.270 12.285 1.00 44.40 N ATOM 117 CA GLY A 11 9.922 -8.592 12.783 1.00 23.21 C ATOM 118 C GLY A 11 11.346 -8.995 12.457 1.00 1.52 C ATOM 119 O GLY A 11 12.036 -9.585 13.287 1.00 3.31 O ATOM 0 H GLY A 11 8.858 -7.250 11.576 1.00 44.40 H new ATOM 0 HA2 GLY A 11 9.779 -8.616 13.863 1.00 23.21 H new ATOM 0 HA3 GLY A 11 9.234 -9.321 12.354 1.00 23.21 H new ATOM 123 N GLU A 12 11.786 -8.679 11.243 1.00 73.34 N ATOM 124 CA GLU A 12 13.136 -9.014 10.808 1.00 41.45 C ATOM 125 C GLU A 12 14.174 -8.216 11.592 1.00 53.41 C ATOM 126 O GLU A 12 15.272 -8.703 11.864 1.00 11.13 O ATOM 127 CB GLU A 12 13.294 -8.747 9.310 1.00 35.55 C ATOM 128 CG GLU A 12 12.154 -9.294 8.469 1.00 10.41 C ATOM 129 CD GLU A 12 12.441 -9.230 6.982 1.00 33.13 C ATOM 130 OE1 GLU A 12 12.390 -8.118 6.416 1.00 33.41 O ATOM 131 OE2 GLU A 12 12.718 -10.291 6.384 1.00 42.15 O ATOM 0 H GLU A 12 11.227 -8.191 10.543 1.00 73.34 H new ATOM 0 HA GLU A 12 13.299 -10.075 10.999 1.00 41.45 H new ATOM 0 HB2 GLU A 12 13.370 -7.672 9.148 1.00 35.55 H new ATOM 0 HB3 GLU A 12 14.230 -9.188 8.968 1.00 35.55 H new ATOM 0 HG2 GLU A 12 11.962 -10.329 8.754 1.00 10.41 H new ATOM 0 HG3 GLU A 12 11.246 -8.730 8.684 1.00 10.41 H new ATOM 138 N LEU A 13 13.820 -6.987 11.950 1.00 45.43 N ATOM 139 CA LEU A 13 14.720 -6.120 12.702 1.00 40.33 C ATOM 140 C LEU A 13 15.017 -6.707 14.079 1.00 33.13 C ATOM 141 O LEU A 13 16.172 -6.768 14.502 1.00 71.21 O ATOM 142 CB LEU A 13 14.110 -4.726 12.850 1.00 61.33 C ATOM 143 CG LEU A 13 15.073 -3.613 13.264 1.00 73.22 C ATOM 144 CD1 LEU A 13 16.141 -3.408 12.200 1.00 1.52 C ATOM 145 CD2 LEU A 13 14.315 -2.317 13.517 1.00 12.41 C ATOM 0 H LEU A 13 12.916 -6.568 11.732 1.00 45.43 H new ATOM 0 HA LEU A 13 15.657 -6.043 12.150 1.00 40.33 H new ATOM 0 HB2 LEU A 13 13.653 -4.449 11.900 1.00 61.33 H new ATOM 0 HB3 LEU A 13 13.308 -4.778 13.587 1.00 61.33 H new ATOM 0 HG LEU A 13 15.564 -3.910 14.191 1.00 73.22 H new ATOM 0 HD11 LEU A 13 16.817 -2.612 12.512 1.00 1.52 H new ATOM 0 HD12 LEU A 13 16.704 -4.332 12.067 1.00 1.52 H new ATOM 0 HD13 LEU A 13 15.668 -3.133 11.257 1.00 1.52 H new ATOM 0 HD21 LEU A 13 15.017 -1.536 13.811 1.00 12.41 H new ATOM 0 HD22 LEU A 13 13.796 -2.015 12.607 1.00 12.41 H new ATOM 0 HD23 LEU A 13 13.588 -2.470 14.315 1.00 12.41 H new ATOM 157 N ASP A 14 13.970 -7.138 14.771 1.00 45.55 N ATOM 158 CA ASP A 14 14.118 -7.723 16.099 1.00 3.22 C ATOM 159 C ASP A 14 15.106 -8.885 16.073 1.00 34.12 C ATOM 160 O ASP A 14 16.070 -8.912 16.840 1.00 54.11 O ATOM 161 CB ASP A 14 12.763 -8.202 16.623 1.00 25.32 C ATOM 162 CG ASP A 14 12.862 -8.809 18.009 1.00 41.34 C ATOM 163 OD1 ASP A 14 13.276 -8.092 18.944 1.00 21.14 O ATOM 164 OD2 ASP A 14 12.522 -10.001 18.160 1.00 13.22 O ATOM 0 H ASP A 14 13.008 -7.094 14.435 1.00 45.55 H new ATOM 0 HA ASP A 14 14.506 -6.954 16.767 1.00 3.22 H new ATOM 0 HB2 ASP A 14 12.068 -7.363 16.645 1.00 25.32 H new ATOM 0 HB3 ASP A 14 12.350 -8.940 15.935 1.00 25.32 H new ATOM 169 N LYS A 15 14.861 -9.844 15.187 1.00 31.24 N ATOM 170 CA LYS A 15 15.729 -11.009 15.060 1.00 13.24 C ATOM 171 C LYS A 15 17.125 -10.600 14.601 1.00 25.15 C ATOM 172 O LYS A 15 18.127 -11.107 15.105 1.00 21.43 O ATOM 173 CB LYS A 15 15.130 -12.012 14.071 1.00 20.01 C ATOM 174 CG LYS A 15 14.330 -13.119 14.737 1.00 32.32 C ATOM 175 CD LYS A 15 13.036 -13.398 13.992 1.00 31.41 C ATOM 176 CE LYS A 15 12.241 -14.513 14.654 1.00 13.23 C ATOM 177 NZ LYS A 15 11.052 -14.901 13.846 1.00 74.01 N ATOM 0 H LYS A 15 14.068 -9.838 14.546 1.00 31.24 H new ATOM 0 HA LYS A 15 15.810 -11.478 16.040 1.00 13.24 H new ATOM 0 HB2 LYS A 15 14.485 -11.479 13.372 1.00 20.01 H new ATOM 0 HB3 LYS A 15 15.935 -12.458 13.486 1.00 20.01 H new ATOM 0 HG2 LYS A 15 14.930 -14.028 14.779 1.00 32.32 H new ATOM 0 HG3 LYS A 15 14.105 -12.838 15.766 1.00 32.32 H new ATOM 0 HD2 LYS A 15 12.433 -12.491 13.957 1.00 31.41 H new ATOM 0 HD3 LYS A 15 13.260 -13.672 12.961 1.00 31.41 H new ATOM 0 HE2 LYS A 15 12.883 -15.382 14.796 1.00 13.23 H new ATOM 0 HE3 LYS A 15 11.918 -14.191 15.644 1.00 13.23 H new ATOM 0 HZ1 LYS A 15 10.537 -15.663 14.331 1.00 74.01 H new ATOM 0 HZ2 LYS A 15 10.426 -14.078 13.732 1.00 74.01 H new ATOM 0 HZ3 LYS A 15 11.361 -15.233 12.910 1.00 74.01 H new ATOM 191 N TRP A 16 17.183 -9.681 13.645 1.00 72.53 N ATOM 192 CA TRP A 16 18.458 -9.203 13.121 1.00 54.41 C ATOM 193 C TRP A 16 19.374 -8.744 14.249 1.00 62.14 C ATOM 194 O TRP A 16 20.528 -9.163 14.332 1.00 61.35 O ATOM 195 CB TRP A 16 18.229 -8.056 12.135 1.00 74.12 C ATOM 196 CG TRP A 16 19.500 -7.433 11.643 1.00 14.41 C ATOM 197 CD1 TRP A 16 20.100 -6.304 12.123 1.00 61.25 C ATOM 198 CD2 TRP A 16 20.327 -7.904 10.573 1.00 5.04 C ATOM 199 NE1 TRP A 16 21.249 -6.044 11.416 1.00 41.12 N ATOM 200 CE2 TRP A 16 21.411 -7.012 10.461 1.00 11.10 C ATOM 201 CE3 TRP A 16 20.258 -8.994 9.700 1.00 3.11 C ATOM 202 CZ2 TRP A 16 22.415 -7.177 9.510 1.00 2.24 C ATOM 203 CZ3 TRP A 16 21.256 -9.157 8.758 1.00 61.24 C ATOM 204 CH2 TRP A 16 22.322 -8.253 8.669 1.00 23.04 C ATOM 0 H TRP A 16 16.363 -9.252 13.217 1.00 72.53 H new ATOM 0 HA TRP A 16 18.941 -10.030 12.601 1.00 54.41 H new ATOM 0 HB2 TRP A 16 17.661 -8.428 11.282 1.00 74.12 H new ATOM 0 HB3 TRP A 16 17.619 -7.290 12.615 1.00 74.12 H new ATOM 0 HD1 TRP A 16 19.726 -5.703 12.939 1.00 61.25 H new ATOM 0 HE1 TRP A 16 21.879 -5.258 11.576 1.00 41.12 H new ATOM 0 HE3 TRP A 16 19.439 -9.696 9.761 1.00 3.11 H new ATOM 0 HZ2 TRP A 16 23.238 -6.481 9.439 1.00 2.24 H new ATOM 0 HZ3 TRP A 16 21.213 -9.996 8.079 1.00 61.24 H new ATOM 0 HH2 TRP A 16 23.086 -8.408 7.922 1.00 23.04 H new ATOM 215 N GLU A 17 18.852 -7.882 15.117 1.00 50.24 N ATOM 216 CA GLU A 17 19.624 -7.368 16.241 1.00 11.03 C ATOM 217 C GLU A 17 20.077 -8.502 17.155 1.00 22.00 C ATOM 218 O GLU A 17 21.083 -8.387 17.856 1.00 43.51 O ATOM 219 CB GLU A 17 18.798 -6.355 17.036 1.00 64.11 C ATOM 220 CG GLU A 17 18.782 -4.965 16.422 1.00 2.12 C ATOM 221 CD GLU A 17 18.390 -3.892 17.419 1.00 35.30 C ATOM 222 OE1 GLU A 17 18.877 -3.942 18.567 1.00 62.03 O ATOM 223 OE2 GLU A 17 17.596 -3.002 17.048 1.00 62.52 O ATOM 0 H GLU A 17 17.898 -7.526 15.063 1.00 50.24 H new ATOM 0 HA GLU A 17 20.509 -6.871 15.843 1.00 11.03 H new ATOM 0 HB2 GLU A 17 17.774 -6.719 17.117 1.00 64.11 H new ATOM 0 HB3 GLU A 17 19.195 -6.291 18.049 1.00 64.11 H new ATOM 0 HG2 GLU A 17 19.769 -4.738 16.019 1.00 2.12 H new ATOM 0 HG3 GLU A 17 18.085 -4.950 15.584 1.00 2.12 H new ATOM 230 N LYS A 18 19.326 -9.599 17.144 1.00 15.12 N ATOM 231 CA LYS A 18 19.648 -10.756 17.969 1.00 25.21 C ATOM 232 C LYS A 18 20.791 -11.560 17.358 1.00 45.41 C ATOM 233 O LYS A 18 21.737 -11.937 18.050 1.00 32.51 O ATOM 234 CB LYS A 18 18.415 -11.647 18.138 1.00 73.33 C ATOM 235 CG LYS A 18 18.210 -12.139 19.561 1.00 55.14 C ATOM 236 CD LYS A 18 17.003 -13.056 19.664 1.00 44.52 C ATOM 237 CE LYS A 18 17.329 -14.462 19.184 1.00 13.13 C ATOM 238 NZ LYS A 18 16.221 -15.044 18.377 1.00 62.34 N ATOM 0 H LYS A 18 18.489 -9.710 16.572 1.00 15.12 H new ATOM 0 HA LYS A 18 19.965 -10.396 18.948 1.00 25.21 H new ATOM 0 HB2 LYS A 18 17.531 -11.093 17.823 1.00 73.33 H new ATOM 0 HB3 LYS A 18 18.505 -12.507 17.475 1.00 73.33 H new ATOM 0 HG2 LYS A 18 19.101 -12.670 19.896 1.00 55.14 H new ATOM 0 HG3 LYS A 18 18.078 -11.286 20.227 1.00 55.14 H new ATOM 0 HD2 LYS A 18 16.660 -13.094 20.698 1.00 44.52 H new ATOM 0 HD3 LYS A 18 16.184 -12.649 19.071 1.00 44.52 H new ATOM 0 HE2 LYS A 18 18.240 -14.439 18.586 1.00 13.13 H new ATOM 0 HE3 LYS A 18 17.527 -15.102 20.044 1.00 13.13 H new ATOM 0 HZ1 LYS A 18 16.482 -16.002 18.069 1.00 62.34 H new ATOM 0 HZ2 LYS A 18 15.357 -15.089 18.955 1.00 62.34 H new ATOM 0 HZ3 LYS A 18 16.048 -14.447 17.543 1.00 62.34 H new ATOM 252 N ILE A 19 20.695 -11.821 16.059 1.00 22.40 N ATOM 253 CA ILE A 19 21.722 -12.579 15.355 1.00 34.24 C ATOM 254 C ILE A 19 23.108 -11.995 15.610 1.00 72.30 C ATOM 255 O ILE A 19 23.299 -10.780 15.564 1.00 11.13 O ATOM 256 CB ILE A 19 21.461 -12.605 13.837 1.00 5.30 C ATOM 257 CG1 ILE A 19 20.090 -13.219 13.545 1.00 73.20 C ATOM 258 CG2 ILE A 19 22.557 -13.383 13.125 1.00 22.00 C ATOM 259 CD1 ILE A 19 19.564 -12.891 12.165 1.00 44.05 C ATOM 0 H ILE A 19 19.917 -11.519 15.473 1.00 22.40 H new ATOM 0 HA ILE A 19 21.682 -13.598 15.741 1.00 34.24 H new ATOM 0 HB ILE A 19 21.468 -11.581 13.464 1.00 5.30 H new ATOM 0 HG12 ILE A 19 20.155 -14.302 13.653 1.00 73.20 H new ATOM 0 HG13 ILE A 19 19.377 -12.867 14.290 1.00 73.20 H new ATOM 0 HG21 ILE A 19 22.359 -13.393 12.053 1.00 22.00 H new ATOM 0 HG22 ILE A 19 23.520 -12.908 13.312 1.00 22.00 H new ATOM 0 HG23 ILE A 19 22.578 -14.407 13.499 1.00 22.00 H new ATOM 0 HD11 ILE A 19 18.589 -13.358 12.027 1.00 44.05 H new ATOM 0 HD12 ILE A 19 19.467 -11.810 12.060 1.00 44.05 H new ATOM 0 HD13 ILE A 19 20.257 -13.267 11.413 1.00 44.05 H new ATOM 271 N ARG A 20 24.072 -12.869 15.878 1.00 40.31 N ATOM 272 CA ARG A 20 25.441 -12.442 16.140 1.00 40.14 C ATOM 273 C ARG A 20 26.333 -12.702 14.930 1.00 63.12 C ATOM 274 O ARG A 20 26.127 -13.665 14.190 1.00 12.42 O ATOM 275 CB ARG A 20 25.999 -13.168 17.365 1.00 50.00 C ATOM 276 CG ARG A 20 25.422 -12.675 18.681 1.00 23.40 C ATOM 277 CD ARG A 20 24.472 -13.694 19.290 1.00 52.53 C ATOM 278 NE ARG A 20 25.143 -14.563 20.253 1.00 14.22 N ATOM 279 CZ ARG A 20 25.538 -14.160 21.455 1.00 21.30 C ATOM 280 NH1 ARG A 20 25.330 -12.909 21.841 1.00 72.33 N ATOM 281 NH2 ARG A 20 26.143 -15.010 22.275 1.00 20.42 N ATOM 0 H ARG A 20 23.930 -13.878 15.919 1.00 40.31 H new ATOM 0 HA ARG A 20 25.429 -11.370 16.336 1.00 40.14 H new ATOM 0 HB2 ARG A 20 25.798 -14.235 17.267 1.00 50.00 H new ATOM 0 HB3 ARG A 20 27.082 -13.048 17.386 1.00 50.00 H new ATOM 0 HG2 ARG A 20 26.232 -12.468 19.380 1.00 23.40 H new ATOM 0 HG3 ARG A 20 24.894 -11.735 18.519 1.00 23.40 H new ATOM 0 HD2 ARG A 20 23.650 -13.174 19.783 1.00 52.53 H new ATOM 0 HD3 ARG A 20 24.035 -14.301 18.497 1.00 52.53 H new ATOM 0 HE ARG A 20 25.318 -15.532 19.988 1.00 14.22 H new ATOM 0 HH11 ARG A 20 24.865 -12.252 21.214 1.00 72.33 H new ATOM 0 HH12 ARG A 20 25.635 -12.603 22.765 1.00 72.33 H new ATOM 0 HH21 ARG A 20 26.305 -15.974 21.982 1.00 20.42 H new ATOM 0 HH22 ARG A 20 26.446 -14.700 23.198 1.00 20.42 H new ATOM 295 N LEU A 21 27.323 -11.839 14.734 1.00 62.22 N ATOM 296 CA LEU A 21 28.247 -11.975 13.614 1.00 71.31 C ATOM 297 C LEU A 21 28.953 -13.327 13.650 1.00 64.50 C ATOM 298 O LEU A 21 29.260 -13.906 12.609 1.00 73.01 O ATOM 299 CB LEU A 21 29.280 -10.847 13.640 1.00 53.30 C ATOM 300 CG LEU A 21 28.721 -9.426 13.722 1.00 31.31 C ATOM 301 CD1 LEU A 21 29.832 -8.431 14.015 1.00 30.52 C ATOM 302 CD2 LEU A 21 28.001 -9.060 12.432 1.00 71.24 C ATOM 0 H LEU A 21 27.507 -11.037 15.337 1.00 62.22 H new ATOM 0 HA LEU A 21 27.671 -11.912 12.691 1.00 71.31 H new ATOM 0 HB2 LEU A 21 29.940 -11.006 14.493 1.00 53.30 H new ATOM 0 HB3 LEU A 21 29.894 -10.923 12.743 1.00 53.30 H new ATOM 0 HG LEU A 21 28.001 -9.387 14.540 1.00 31.31 H new ATOM 0 HD11 LEU A 21 29.415 -7.425 14.070 1.00 30.52 H new ATOM 0 HD12 LEU A 21 30.303 -8.681 14.966 1.00 30.52 H new ATOM 0 HD13 LEU A 21 30.576 -8.472 13.220 1.00 30.52 H new ATOM 0 HD21 LEU A 21 27.610 -8.045 12.509 1.00 71.24 H new ATOM 0 HD22 LEU A 21 28.699 -9.118 11.597 1.00 71.24 H new ATOM 0 HD23 LEU A 21 27.178 -9.755 12.265 1.00 71.24 H new ATOM 314 N ARG A 22 29.204 -13.825 14.857 1.00 35.42 N ATOM 315 CA ARG A 22 29.872 -15.109 15.030 1.00 35.24 C ATOM 316 C ARG A 22 29.100 -15.997 16.000 1.00 64.12 C ATOM 317 O ARG A 22 28.292 -15.527 16.801 1.00 41.35 O ATOM 318 CB ARG A 22 31.300 -14.900 15.538 1.00 2.40 C ATOM 319 CG ARG A 22 32.345 -14.893 14.435 1.00 71.31 C ATOM 320 CD ARG A 22 33.681 -15.427 14.928 1.00 52.15 C ATOM 321 NE ARG A 22 34.393 -14.449 15.745 1.00 70.41 N ATOM 322 CZ ARG A 22 35.379 -14.764 16.578 1.00 1.00 C ATOM 323 NH1 ARG A 22 35.768 -16.026 16.701 1.00 63.22 N ATOM 324 NH2 ARG A 22 35.978 -13.817 17.288 1.00 12.03 N ATOM 0 H ARG A 22 28.955 -13.358 15.729 1.00 35.42 H new ATOM 0 HA ARG A 22 29.908 -15.606 14.060 1.00 35.24 H new ATOM 0 HB2 ARG A 22 31.349 -13.955 16.079 1.00 2.40 H new ATOM 0 HB3 ARG A 22 31.542 -15.688 16.251 1.00 2.40 H new ATOM 0 HG2 ARG A 22 31.996 -15.499 13.599 1.00 71.31 H new ATOM 0 HG3 ARG A 22 32.474 -13.877 14.061 1.00 71.31 H new ATOM 0 HD2 ARG A 22 33.517 -16.334 15.510 1.00 52.15 H new ATOM 0 HD3 ARG A 22 34.298 -15.704 14.073 1.00 52.15 H new ATOM 0 HE ARG A 22 34.118 -13.469 15.672 1.00 70.41 H new ATOM 0 HH11 ARG A 22 35.310 -16.756 16.156 1.00 63.22 H new ATOM 0 HH12 ARG A 22 36.525 -16.266 17.341 1.00 63.22 H new ATOM 0 HH21 ARG A 22 35.682 -12.845 17.195 1.00 12.03 H new ATOM 0 HH22 ARG A 22 36.735 -14.060 17.927 1.00 12.03 H new ATOM 338 N PRO A 23 29.352 -17.313 15.927 1.00 21.40 N ATOM 339 CA PRO A 23 28.691 -18.294 16.792 1.00 53.44 C ATOM 340 C PRO A 23 29.145 -18.188 18.243 1.00 31.14 C ATOM 341 O PRO A 23 28.368 -18.432 19.166 1.00 33.24 O ATOM 342 CB PRO A 23 29.119 -19.637 16.194 1.00 41.35 C ATOM 343 CG PRO A 23 30.408 -19.353 15.506 1.00 21.34 C ATOM 344 CD PRO A 23 30.303 -17.942 14.995 1.00 22.52 C ATOM 0 HA PRO A 23 27.611 -18.149 16.822 1.00 53.44 H new ATOM 0 HB2 PRO A 23 29.242 -20.394 16.969 1.00 41.35 H new ATOM 0 HB3 PRO A 23 28.373 -20.015 15.495 1.00 41.35 H new ATOM 0 HG2 PRO A 23 31.248 -19.458 16.193 1.00 21.34 H new ATOM 0 HG3 PRO A 23 30.576 -20.053 14.687 1.00 21.34 H new ATOM 0 HD2 PRO A 23 31.269 -17.438 15.005 1.00 22.52 H new ATOM 0 HD3 PRO A 23 29.939 -17.912 13.968 1.00 22.52 H new ATOM 352 N GLY A 24 30.408 -17.822 18.438 1.00 3.53 N ATOM 353 CA GLY A 24 30.944 -17.690 19.781 1.00 12.53 C ATOM 354 C GLY A 24 31.632 -16.358 20.002 1.00 74.23 C ATOM 355 O GLY A 24 32.818 -16.309 20.322 1.00 10.20 O ATOM 0 H GLY A 24 31.070 -17.614 17.690 1.00 3.53 H new ATOM 0 HA2 GLY A 24 30.136 -17.803 20.504 1.00 12.53 H new ATOM 0 HA3 GLY A 24 31.653 -18.497 19.967 1.00 12.53 H new ATOM 359 N GLY A 25 30.884 -15.272 19.829 1.00 22.30 N ATOM 360 CA GLY A 25 31.446 -13.947 20.015 1.00 12.24 C ATOM 361 C GLY A 25 30.573 -13.062 20.882 1.00 12.41 C ATOM 362 O GLY A 25 29.626 -13.537 21.511 1.00 35.30 O ATOM 0 H GLY A 25 29.899 -15.286 19.563 1.00 22.30 H new ATOM 0 HA2 GLY A 25 32.433 -14.035 20.469 1.00 12.24 H new ATOM 0 HA3 GLY A 25 31.584 -13.475 19.042 1.00 12.24 H new ATOM 366 N LYS A 26 30.892 -11.773 20.918 1.00 43.32 N ATOM 367 CA LYS A 26 30.130 -10.818 21.715 1.00 42.34 C ATOM 368 C LYS A 26 29.822 -9.561 20.910 1.00 22.52 C ATOM 369 O LYS A 26 29.954 -8.443 21.410 1.00 12.01 O ATOM 370 CB LYS A 26 30.903 -10.449 22.983 1.00 23.03 C ATOM 371 CG LYS A 26 31.200 -11.638 23.882 1.00 21.51 C ATOM 372 CD LYS A 26 30.988 -11.295 25.348 1.00 14.21 C ATOM 373 CE LYS A 26 32.115 -10.427 25.886 1.00 72.14 C ATOM 374 NZ LYS A 26 31.770 -9.823 27.203 1.00 51.22 N ATOM 0 H LYS A 26 31.673 -11.365 20.405 1.00 43.32 H new ATOM 0 HA LYS A 26 29.187 -11.288 21.996 1.00 42.34 H new ATOM 0 HB2 LYS A 26 31.843 -9.974 22.700 1.00 23.03 H new ATOM 0 HB3 LYS A 26 30.330 -9.712 23.546 1.00 23.03 H new ATOM 0 HG2 LYS A 26 30.557 -12.474 23.606 1.00 21.51 H new ATOM 0 HG3 LYS A 26 32.229 -11.963 23.729 1.00 21.51 H new ATOM 0 HD2 LYS A 26 30.038 -10.774 25.467 1.00 14.21 H new ATOM 0 HD3 LYS A 26 30.924 -12.213 25.932 1.00 14.21 H new ATOM 0 HE2 LYS A 26 33.019 -11.027 25.988 1.00 72.14 H new ATOM 0 HE3 LYS A 26 32.337 -9.635 25.170 1.00 72.14 H new ATOM 0 HZ1 LYS A 26 32.564 -9.239 27.536 1.00 51.22 H new ATOM 0 HZ2 LYS A 26 30.922 -9.229 27.101 1.00 51.22 H new ATOM 0 HZ3 LYS A 26 31.583 -10.578 27.893 1.00 51.22 H new ATOM 388 N LYS A 27 29.410 -9.748 19.661 1.00 1.33 N ATOM 389 CA LYS A 27 29.080 -8.630 18.786 1.00 20.42 C ATOM 390 C LYS A 27 27.830 -8.929 17.966 1.00 64.11 C ATOM 391 O LYS A 27 27.910 -9.516 16.887 1.00 24.14 O ATOM 392 CB LYS A 27 30.254 -8.323 17.853 1.00 33.10 C ATOM 393 CG LYS A 27 30.257 -6.897 17.329 1.00 54.41 C ATOM 394 CD LYS A 27 31.622 -6.505 16.789 1.00 72.13 C ATOM 395 CE LYS A 27 31.507 -5.464 15.686 1.00 34.11 C ATOM 396 NZ LYS A 27 32.717 -4.598 15.612 1.00 71.05 N ATOM 0 H LYS A 27 29.296 -10.666 19.231 1.00 1.33 H new ATOM 0 HA LYS A 27 28.882 -7.759 19.411 1.00 20.42 H new ATOM 0 HB2 LYS A 27 31.188 -8.508 18.384 1.00 33.10 H new ATOM 0 HB3 LYS A 27 30.226 -9.012 17.009 1.00 33.10 H new ATOM 0 HG2 LYS A 27 29.510 -6.796 16.541 1.00 54.41 H new ATOM 0 HG3 LYS A 27 29.971 -6.214 18.129 1.00 54.41 H new ATOM 0 HD2 LYS A 27 32.236 -6.112 17.599 1.00 72.13 H new ATOM 0 HD3 LYS A 27 32.130 -7.389 16.405 1.00 72.13 H new ATOM 0 HE2 LYS A 27 31.359 -5.964 14.729 1.00 34.11 H new ATOM 0 HE3 LYS A 27 30.627 -4.845 15.861 1.00 34.11 H new ATOM 0 HZ1 LYS A 27 32.600 -3.902 14.848 1.00 71.05 H new ATOM 0 HZ2 LYS A 27 32.844 -4.101 16.517 1.00 71.05 H new ATOM 0 HZ3 LYS A 27 33.553 -5.186 15.419 1.00 71.05 H new ATOM 410 N GLN A 28 26.676 -8.523 18.485 1.00 63.44 N ATOM 411 CA GLN A 28 25.408 -8.747 17.799 1.00 25.14 C ATOM 412 C GLN A 28 25.339 -7.941 16.507 1.00 45.13 C ATOM 413 O GLN A 28 26.182 -7.082 16.253 1.00 4.15 O ATOM 414 CB GLN A 28 24.239 -8.375 18.711 1.00 41.25 C ATOM 415 CG GLN A 28 24.379 -8.905 20.130 1.00 74.15 C ATOM 416 CD GLN A 28 23.128 -8.691 20.959 1.00 41.12 C ATOM 417 OE1 GLN A 28 22.758 -7.557 21.265 1.00 44.25 O ATOM 418 NE2 GLN A 28 22.468 -9.784 21.327 1.00 74.41 N ATOM 0 H GLN A 28 26.592 -8.037 19.378 1.00 63.44 H new ATOM 0 HA GLN A 28 25.340 -9.806 17.548 1.00 25.14 H new ATOM 0 HB2 GLN A 28 24.147 -7.289 18.745 1.00 41.25 H new ATOM 0 HB3 GLN A 28 23.315 -8.759 18.278 1.00 41.25 H new ATOM 0 HG2 GLN A 28 24.609 -9.970 20.095 1.00 74.15 H new ATOM 0 HG3 GLN A 28 25.221 -8.413 20.616 1.00 74.15 H new ATOM 0 HE21 GLN A 28 22.811 -10.704 21.051 1.00 74.41 H new ATOM 0 HE22 GLN A 28 21.618 -9.703 21.886 1.00 74.41 H new ATOM 427 N TYR A 29 24.327 -8.225 15.694 1.00 12.00 N ATOM 428 CA TYR A 29 24.149 -7.528 14.425 1.00 51.23 C ATOM 429 C TYR A 29 23.441 -6.192 14.632 1.00 25.42 C ATOM 430 O TYR A 29 22.620 -6.045 15.538 1.00 54.21 O ATOM 431 CB TYR A 29 23.350 -8.396 13.451 1.00 34.53 C ATOM 432 CG TYR A 29 24.210 -9.112 12.434 1.00 63.35 C ATOM 433 CD1 TYR A 29 24.726 -8.439 11.335 1.00 35.43 C ATOM 434 CD2 TYR A 29 24.503 -10.463 12.573 1.00 51.10 C ATOM 435 CE1 TYR A 29 25.511 -9.090 10.403 1.00 35.40 C ATOM 436 CE2 TYR A 29 25.288 -11.122 11.646 1.00 32.23 C ATOM 437 CZ TYR A 29 25.790 -10.431 10.563 1.00 73.23 C ATOM 438 OH TYR A 29 26.572 -11.083 9.637 1.00 44.31 O ATOM 0 H TYR A 29 23.618 -8.932 15.891 1.00 12.00 H new ATOM 0 HA TYR A 29 25.135 -7.334 14.004 1.00 51.23 H new ATOM 0 HB2 TYR A 29 22.781 -9.133 14.017 1.00 34.53 H new ATOM 0 HB3 TYR A 29 22.628 -7.770 12.927 1.00 34.53 H new ATOM 0 HD1 TYR A 29 24.510 -7.389 11.206 1.00 35.43 H new ATOM 0 HD2 TYR A 29 24.111 -11.007 13.419 1.00 51.10 H new ATOM 0 HE1 TYR A 29 25.904 -8.551 9.553 1.00 35.40 H new ATOM 0 HE2 TYR A 29 25.507 -12.172 11.769 1.00 32.23 H new ATOM 0 HH TYR A 29 27.513 -11.022 9.903 1.00 44.31 H new ATOM 448 N LYS A 30 23.765 -5.221 13.785 1.00 70.50 N ATOM 449 CA LYS A 30 23.161 -3.896 13.872 1.00 40.41 C ATOM 450 C LYS A 30 23.005 -3.279 12.487 1.00 75.14 C ATOM 451 O LYS A 30 23.590 -3.756 11.513 1.00 41.23 O ATOM 452 CB LYS A 30 24.010 -2.982 14.758 1.00 51.30 C ATOM 453 CG LYS A 30 23.487 -2.852 16.177 1.00 3.41 C ATOM 454 CD LYS A 30 24.593 -2.478 17.148 1.00 32.05 C ATOM 455 CE LYS A 30 24.425 -1.057 17.664 1.00 31.42 C ATOM 456 NZ LYS A 30 23.234 -0.925 18.546 1.00 43.05 N ATOM 0 H LYS A 30 24.443 -5.326 13.030 1.00 70.50 H new ATOM 0 HA LYS A 30 22.172 -4.003 14.316 1.00 40.41 H new ATOM 0 HB2 LYS A 30 25.030 -3.366 14.790 1.00 51.30 H new ATOM 0 HB3 LYS A 30 24.056 -1.992 14.305 1.00 51.30 H new ATOM 0 HG2 LYS A 30 22.703 -2.095 16.209 1.00 3.41 H new ATOM 0 HG3 LYS A 30 23.034 -3.794 16.486 1.00 3.41 H new ATOM 0 HD2 LYS A 30 24.592 -3.173 17.987 1.00 32.05 H new ATOM 0 HD3 LYS A 30 25.560 -2.575 16.655 1.00 32.05 H new ATOM 0 HE2 LYS A 30 25.319 -0.762 18.214 1.00 31.42 H new ATOM 0 HE3 LYS A 30 24.330 -0.373 16.821 1.00 31.42 H new ATOM 0 HZ1 LYS A 30 23.299 -0.039 19.087 1.00 43.05 H new ATOM 0 HZ2 LYS A 30 22.371 -0.913 17.965 1.00 43.05 H new ATOM 0 HZ3 LYS A 30 23.198 -1.730 19.203 1.00 43.05 H new ATOM 470 N LEU A 31 22.215 -2.213 12.404 1.00 41.23 N ATOM 471 CA LEU A 31 21.984 -1.528 11.137 1.00 61.20 C ATOM 472 C LEU A 31 23.304 -1.162 10.467 1.00 21.14 C ATOM 473 O LEU A 31 23.399 -1.114 9.241 1.00 74.21 O ATOM 474 CB LEU A 31 21.146 -0.268 11.362 1.00 1.10 C ATOM 475 CG LEU A 31 19.629 -0.464 11.373 1.00 25.43 C ATOM 476 CD1 LEU A 31 19.195 -1.184 12.640 1.00 1.42 C ATOM 477 CD2 LEU A 31 18.918 0.876 11.249 1.00 45.11 C ATOM 0 H LEU A 31 21.724 -1.805 13.199 1.00 41.23 H new ATOM 0 HA LEU A 31 21.440 -2.206 10.479 1.00 61.20 H new ATOM 0 HB2 LEU A 31 21.442 0.176 12.313 1.00 1.10 H new ATOM 0 HB3 LEU A 31 21.394 0.453 10.583 1.00 1.10 H new ATOM 0 HG LEU A 31 19.354 -1.079 10.516 1.00 25.43 H new ATOM 0 HD11 LEU A 31 18.113 -1.315 12.631 1.00 1.42 H new ATOM 0 HD12 LEU A 31 19.678 -2.160 12.688 1.00 1.42 H new ATOM 0 HD13 LEU A 31 19.482 -0.594 13.510 1.00 1.42 H new ATOM 0 HD21 LEU A 31 17.840 0.718 11.258 1.00 45.11 H new ATOM 0 HD22 LEU A 31 19.198 1.515 12.086 1.00 45.11 H new ATOM 0 HD23 LEU A 31 19.206 1.356 10.314 1.00 45.11 H new ATOM 489 N LYS A 32 24.323 -0.907 11.281 1.00 11.25 N ATOM 490 CA LYS A 32 25.641 -0.549 10.768 1.00 5.04 C ATOM 491 C LYS A 32 26.115 -1.561 9.731 1.00 45.30 C ATOM 492 O LYS A 32 26.751 -1.200 8.741 1.00 2.04 O ATOM 493 CB LYS A 32 26.651 -0.466 11.915 1.00 52.30 C ATOM 494 CG LYS A 32 26.377 0.670 12.886 1.00 11.44 C ATOM 495 CD LYS A 32 27.592 0.974 13.745 1.00 31.24 C ATOM 496 CE LYS A 32 27.756 2.470 13.971 1.00 3.44 C ATOM 497 NZ LYS A 32 26.982 2.939 15.153 1.00 54.33 N ATOM 0 H LYS A 32 24.262 -0.942 12.299 1.00 11.25 H new ATOM 0 HA LYS A 32 25.564 0.427 10.288 1.00 5.04 H new ATOM 0 HB2 LYS A 32 26.646 -1.409 12.461 1.00 52.30 H new ATOM 0 HB3 LYS A 32 27.651 -0.344 11.499 1.00 52.30 H new ATOM 0 HG2 LYS A 32 26.090 1.563 12.331 1.00 11.44 H new ATOM 0 HG3 LYS A 32 25.534 0.408 13.526 1.00 11.44 H new ATOM 0 HD2 LYS A 32 27.495 0.468 14.706 1.00 31.24 H new ATOM 0 HD3 LYS A 32 28.487 0.577 13.265 1.00 31.24 H new ATOM 0 HE2 LYS A 32 28.811 2.703 14.112 1.00 3.44 H new ATOM 0 HE3 LYS A 32 27.427 3.010 13.083 1.00 3.44 H new ATOM 0 HZ1 LYS A 32 27.119 3.963 15.274 1.00 54.33 H new ATOM 0 HZ2 LYS A 32 25.972 2.740 15.008 1.00 54.33 H new ATOM 0 HZ3 LYS A 32 27.314 2.442 16.004 1.00 54.33 H new ATOM 511 N HIS A 33 25.801 -2.832 9.964 1.00 60.13 N ATOM 512 CA HIS A 33 26.192 -3.898 9.048 1.00 24.04 C ATOM 513 C HIS A 33 25.294 -3.911 7.814 1.00 2.04 C ATOM 514 O HIS A 33 25.816 -4.205 6.739 1.00 75.03 O ATOM 515 CB HIS A 33 26.131 -5.254 9.752 1.00 45.05 C ATOM 516 CG HIS A 33 26.768 -5.254 11.108 1.00 20.42 C ATOM 517 ND1 HIS A 33 26.184 -5.831 12.215 1.00 62.22 N ATOM 518 CD2 HIS A 33 27.949 -4.744 11.531 1.00 2.12 C ATOM 519 CE1 HIS A 33 26.976 -5.674 13.260 1.00 4.01 C ATOM 520 NE2 HIS A 33 28.055 -5.018 12.872 1.00 51.22 N ATOM 0 H HIS A 33 25.277 -3.149 10.780 1.00 60.13 H new ATOM 0 HA HIS A 33 27.217 -3.710 8.728 1.00 24.04 H new ATOM 0 HB2 HIS A 33 25.089 -5.557 9.849 1.00 45.05 H new ATOM 0 HB3 HIS A 33 26.623 -6.000 9.128 1.00 45.05 H new ATOM 0 HD2 HIS A 33 28.673 -4.219 10.926 1.00 2.12 H new ATOM 0 HE1 HIS A 33 26.776 -6.023 14.262 1.00 4.01 H new ATOM 0 HE2 HIS A 33 28.839 -4.758 13.471 1.00 51.22 H new ATOM 528 N ILE A 34 24.005 -3.613 7.936 1.00 61.52 N ATOM 529 CA ILE A 34 23.110 -3.612 6.787 1.00 72.42 C ATOM 530 C ILE A 34 23.484 -2.511 5.800 1.00 70.24 C ATOM 531 O ILE A 34 23.392 -2.694 4.586 1.00 34.33 O ATOM 532 CB ILE A 34 21.643 -3.424 7.217 1.00 53.13 C ATOM 533 CG1 ILE A 34 21.264 -4.457 8.280 1.00 72.53 C ATOM 534 CG2 ILE A 34 20.720 -3.533 6.012 1.00 42.33 C ATOM 535 CD1 ILE A 34 19.855 -4.292 8.806 1.00 24.02 C ATOM 0 H ILE A 34 23.558 -3.369 8.820 1.00 61.52 H new ATOM 0 HA ILE A 34 23.217 -4.583 6.302 1.00 72.42 H new ATOM 0 HB ILE A 34 21.531 -2.429 7.648 1.00 53.13 H new ATOM 0 HG12 ILE A 34 21.371 -5.457 7.859 1.00 72.53 H new ATOM 0 HG13 ILE A 34 21.965 -4.385 9.112 1.00 72.53 H new ATOM 0 HG21 ILE A 34 19.687 -3.398 6.332 1.00 42.33 H new ATOM 0 HG22 ILE A 34 20.978 -2.763 5.285 1.00 42.33 H new ATOM 0 HG23 ILE A 34 20.833 -4.516 5.555 1.00 42.33 H new ATOM 0 HD11 ILE A 34 19.655 -5.057 9.556 1.00 24.02 H new ATOM 0 HD12 ILE A 34 19.748 -3.306 9.257 1.00 24.02 H new ATOM 0 HD13 ILE A 34 19.146 -4.394 7.985 1.00 24.02 H new ATOM 547 N VAL A 35 23.907 -1.367 6.329 1.00 22.14 N ATOM 548 CA VAL A 35 24.298 -0.237 5.495 1.00 60.34 C ATOM 549 C VAL A 35 25.709 -0.421 4.948 1.00 20.12 C ATOM 550 O VAL A 35 25.992 -0.066 3.803 1.00 22.42 O ATOM 551 CB VAL A 35 24.231 1.088 6.279 1.00 1.44 C ATOM 552 CG1 VAL A 35 24.675 2.249 5.402 1.00 40.20 C ATOM 553 CG2 VAL A 35 22.827 1.319 6.815 1.00 74.20 C ATOM 0 H VAL A 35 23.988 -1.199 7.332 1.00 22.14 H new ATOM 0 HA VAL A 35 23.592 -0.196 4.665 1.00 60.34 H new ATOM 0 HB VAL A 35 24.912 1.024 7.128 1.00 1.44 H new ATOM 0 HG11 VAL A 35 24.621 3.177 5.972 1.00 40.20 H new ATOM 0 HG12 VAL A 35 25.701 2.084 5.072 1.00 40.20 H new ATOM 0 HG13 VAL A 35 24.021 2.319 4.533 1.00 40.20 H new ATOM 0 HG21 VAL A 35 22.798 2.259 7.366 1.00 74.20 H new ATOM 0 HG22 VAL A 35 22.123 1.364 5.984 1.00 74.20 H new ATOM 0 HG23 VAL A 35 22.552 0.500 7.480 1.00 74.20 H new ATOM 563 N TRP A 36 26.590 -0.977 5.771 1.00 41.34 N ATOM 564 CA TRP A 36 27.972 -1.209 5.369 1.00 74.34 C ATOM 565 C TRP A 36 28.035 -2.037 4.090 1.00 72.12 C ATOM 566 O TRP A 36 28.960 -1.892 3.292 1.00 21.11 O ATOM 567 CB TRP A 36 28.739 -1.916 6.487 1.00 63.41 C ATOM 568 CG TRP A 36 30.119 -2.341 6.085 1.00 72.13 C ATOM 569 CD1 TRP A 36 31.289 -1.696 6.366 1.00 64.21 C ATOM 570 CD2 TRP A 36 30.471 -3.504 5.328 1.00 54.23 C ATOM 571 NE1 TRP A 36 32.348 -2.388 5.829 1.00 0.01 N ATOM 572 CE2 TRP A 36 31.872 -3.501 5.187 1.00 1.22 C ATOM 573 CE3 TRP A 36 29.738 -4.548 4.755 1.00 62.31 C ATOM 574 CZ2 TRP A 36 32.553 -4.501 4.498 1.00 52.23 C ATOM 575 CZ3 TRP A 36 30.415 -5.539 4.071 1.00 35.15 C ATOM 576 CH2 TRP A 36 31.811 -5.511 3.948 1.00 75.40 C ATOM 0 H TRP A 36 26.372 -1.276 6.722 1.00 41.34 H new ATOM 0 HA TRP A 36 28.435 -0.241 5.177 1.00 74.34 H new ATOM 0 HB2 TRP A 36 28.808 -1.250 7.347 1.00 63.41 H new ATOM 0 HB3 TRP A 36 28.175 -2.793 6.806 1.00 63.41 H new ATOM 0 HD1 TRP A 36 31.370 -0.777 6.928 1.00 64.21 H new ATOM 0 HE1 TRP A 36 33.329 -2.117 5.897 1.00 0.01 H new ATOM 0 HE3 TRP A 36 28.662 -4.579 4.846 1.00 62.31 H new ATOM 0 HZ2 TRP A 36 33.628 -4.480 4.401 1.00 52.23 H new ATOM 0 HZ3 TRP A 36 29.859 -6.349 3.623 1.00 35.15 H new ATOM 0 HH2 TRP A 36 32.311 -6.302 3.409 1.00 75.40 H new ATOM 587 N ALA A 37 27.046 -2.904 3.902 1.00 74.23 N ATOM 588 CA ALA A 37 26.989 -3.753 2.719 1.00 55.35 C ATOM 589 C ALA A 37 26.332 -3.024 1.551 1.00 33.35 C ATOM 590 O ALA A 37 26.807 -3.095 0.417 1.00 52.11 O ATOM 591 CB ALA A 37 26.239 -5.040 3.028 1.00 43.14 C ATOM 0 H ALA A 37 26.273 -3.037 4.554 1.00 74.23 H new ATOM 0 HA ALA A 37 28.011 -4.001 2.431 1.00 55.35 H new ATOM 0 HB1 ALA A 37 26.204 -5.664 2.135 1.00 43.14 H new ATOM 0 HB2 ALA A 37 26.751 -5.577 3.826 1.00 43.14 H new ATOM 0 HB3 ALA A 37 25.223 -4.802 3.344 1.00 43.14 H new ATOM 597 N SER A 38 25.239 -2.325 1.836 1.00 71.34 N ATOM 598 CA SER A 38 24.515 -1.586 0.807 1.00 64.22 C ATOM 599 C SER A 38 25.444 -0.622 0.075 1.00 62.53 C ATOM 600 O SER A 38 25.344 -0.449 -1.140 1.00 4.42 O ATOM 601 CB SER A 38 23.349 -0.815 1.430 1.00 72.42 C ATOM 602 OG SER A 38 23.647 0.567 1.531 1.00 1.23 O ATOM 0 H SER A 38 24.835 -2.254 2.770 1.00 71.34 H new ATOM 0 HA SER A 38 24.124 -2.303 0.086 1.00 64.22 H new ATOM 0 HB2 SER A 38 22.453 -0.954 0.825 1.00 72.42 H new ATOM 0 HB3 SER A 38 23.131 -1.216 2.420 1.00 72.42 H new ATOM 0 HG SER A 38 22.886 1.037 1.931 1.00 1.23 H new ATOM 608 N ARG A 39 26.346 0.003 0.824 1.00 12.11 N ATOM 609 CA ARG A 39 27.293 0.951 0.247 1.00 71.43 C ATOM 610 C ARG A 39 28.350 0.228 -0.581 1.00 4.10 C ATOM 611 O ARG A 39 28.926 0.799 -1.506 1.00 71.42 O ATOM 612 CB ARG A 39 27.965 1.769 1.351 1.00 42.44 C ATOM 613 CG ARG A 39 27.610 3.247 1.317 1.00 43.21 C ATOM 614 CD ARG A 39 26.224 3.501 1.887 1.00 22.04 C ATOM 615 NE ARG A 39 26.136 4.796 2.557 1.00 43.30 N ATOM 616 CZ ARG A 39 25.012 5.282 3.072 1.00 33.23 C ATOM 617 NH1 ARG A 39 23.888 4.585 2.994 1.00 71.22 N ATOM 618 NH2 ARG A 39 25.013 6.468 3.665 1.00 73.55 N ATOM 0 H ARG A 39 26.442 -0.129 1.831 1.00 12.11 H new ATOM 0 HA ARG A 39 26.741 1.624 -0.409 1.00 71.43 H new ATOM 0 HB2 ARG A 39 27.681 1.358 2.320 1.00 42.44 H new ATOM 0 HB3 ARG A 39 29.046 1.662 1.264 1.00 42.44 H new ATOM 0 HG2 ARG A 39 28.348 3.812 1.886 1.00 43.21 H new ATOM 0 HG3 ARG A 39 27.654 3.609 0.290 1.00 43.21 H new ATOM 0 HD2 ARG A 39 25.488 3.458 1.084 1.00 22.04 H new ATOM 0 HD3 ARG A 39 25.972 2.710 2.593 1.00 22.04 H new ATOM 0 HE ARG A 39 26.984 5.358 2.634 1.00 43.30 H new ATOM 0 HH11 ARG A 39 23.884 3.673 2.538 1.00 71.22 H new ATOM 0 HH12 ARG A 39 23.026 4.961 3.390 1.00 71.22 H new ATOM 0 HH21 ARG A 39 25.877 7.007 3.726 1.00 73.55 H new ATOM 0 HH22 ARG A 39 24.150 6.841 4.060 1.00 73.55 H new ATOM 632 N GLU A 40 28.602 -1.033 -0.240 1.00 71.14 N ATOM 633 CA GLU A 40 29.591 -1.833 -0.951 1.00 43.30 C ATOM 634 C GLU A 40 28.987 -2.456 -2.207 1.00 22.01 C ATOM 635 O GLU A 40 29.692 -2.732 -3.178 1.00 24.15 O ATOM 636 CB GLU A 40 30.143 -2.931 -0.039 1.00 22.11 C ATOM 637 CG GLU A 40 31.585 -3.305 -0.340 1.00 52.43 C ATOM 638 CD GLU A 40 32.575 -2.293 0.200 1.00 32.21 C ATOM 639 OE1 GLU A 40 32.369 -1.807 1.332 1.00 51.14 O ATOM 640 OE2 GLU A 40 33.556 -1.985 -0.509 1.00 73.44 O ATOM 0 H GLU A 40 28.135 -1.521 0.524 1.00 71.14 H new ATOM 0 HA GLU A 40 30.406 -1.174 -1.249 1.00 43.30 H new ATOM 0 HB2 GLU A 40 30.071 -2.601 0.997 1.00 22.11 H new ATOM 0 HB3 GLU A 40 29.519 -3.819 -0.135 1.00 22.11 H new ATOM 0 HG2 GLU A 40 31.800 -4.283 0.090 1.00 52.43 H new ATOM 0 HG3 GLU A 40 31.715 -3.395 -1.418 1.00 52.43 H new ATOM 647 N LEU A 41 27.677 -2.674 -2.180 1.00 41.32 N ATOM 648 CA LEU A 41 26.977 -3.265 -3.315 1.00 73.35 C ATOM 649 C LEU A 41 26.945 -2.300 -4.496 1.00 34.14 C ATOM 650 O LEU A 41 27.268 -2.675 -5.623 1.00 55.01 O ATOM 651 CB LEU A 41 25.550 -3.647 -2.917 1.00 64.41 C ATOM 652 CG LEU A 41 25.349 -5.088 -2.445 1.00 61.13 C ATOM 653 CD1 LEU A 41 23.904 -5.316 -2.026 1.00 35.42 C ATOM 654 CD2 LEU A 41 25.750 -6.067 -3.537 1.00 13.14 C ATOM 0 H LEU A 41 27.078 -2.451 -1.385 1.00 41.32 H new ATOM 0 HA LEU A 41 27.517 -4.163 -3.616 1.00 73.35 H new ATOM 0 HB2 LEU A 41 25.224 -2.976 -2.122 1.00 64.41 H new ATOM 0 HB3 LEU A 41 24.896 -3.471 -3.771 1.00 64.41 H new ATOM 0 HG LEU A 41 25.988 -5.259 -1.579 1.00 61.13 H new ATOM 0 HD11 LEU A 41 23.780 -6.347 -1.693 1.00 35.42 H new ATOM 0 HD12 LEU A 41 23.650 -4.638 -1.211 1.00 35.42 H new ATOM 0 HD13 LEU A 41 23.245 -5.127 -2.873 1.00 35.42 H new ATOM 0 HD21 LEU A 41 25.600 -7.087 -3.184 1.00 13.14 H new ATOM 0 HD22 LEU A 41 25.137 -5.896 -4.422 1.00 13.14 H new ATOM 0 HD23 LEU A 41 26.800 -5.921 -3.789 1.00 13.14 H new ATOM 666 N GLU A 42 26.556 -1.057 -4.230 1.00 44.31 N ATOM 667 CA GLU A 42 26.484 -0.040 -5.272 1.00 61.52 C ATOM 668 C GLU A 42 27.824 0.099 -5.989 1.00 74.15 C ATOM 669 O GLU A 42 27.879 0.507 -7.150 1.00 32.32 O ATOM 670 CB GLU A 42 26.071 1.306 -4.673 1.00 33.35 C ATOM 671 CG GLU A 42 26.183 2.466 -5.648 1.00 54.55 C ATOM 672 CD GLU A 42 27.413 3.317 -5.406 1.00 30.43 C ATOM 673 OE1 GLU A 42 27.544 3.864 -4.290 1.00 11.12 O ATOM 674 OE2 GLU A 42 28.244 3.438 -6.330 1.00 3.33 O ATOM 0 H GLU A 42 26.286 -0.730 -3.302 1.00 44.31 H new ATOM 0 HA GLU A 42 25.734 -0.352 -5.998 1.00 61.52 H new ATOM 0 HB2 GLU A 42 25.042 1.237 -4.320 1.00 33.35 H new ATOM 0 HB3 GLU A 42 26.693 1.513 -3.802 1.00 33.35 H new ATOM 0 HG2 GLU A 42 26.209 2.078 -6.666 1.00 54.55 H new ATOM 0 HG3 GLU A 42 25.293 3.090 -5.568 1.00 54.55 H new ATOM 681 N ARG A 43 28.901 -0.242 -5.290 1.00 1.02 N ATOM 682 CA ARG A 43 30.241 -0.153 -5.859 1.00 62.11 C ATOM 683 C ARG A 43 30.463 -1.247 -6.899 1.00 11.23 C ATOM 684 O ARG A 43 31.250 -1.082 -7.831 1.00 70.32 O ATOM 685 CB ARG A 43 31.294 -0.262 -4.756 1.00 23.12 C ATOM 686 CG ARG A 43 32.712 -0.004 -5.239 1.00 52.21 C ATOM 687 CD ARG A 43 33.688 0.099 -4.077 1.00 71.53 C ATOM 688 NE ARG A 43 33.462 1.301 -3.279 1.00 31.31 N ATOM 689 CZ ARG A 43 34.056 1.530 -2.112 1.00 62.11 C ATOM 690 NH1 ARG A 43 34.905 0.644 -1.611 1.00 3.44 N ATOM 691 NH2 ARG A 43 33.800 2.648 -1.444 1.00 10.31 N ATOM 0 H ARG A 43 28.872 -0.582 -4.329 1.00 1.02 H new ATOM 0 HA ARG A 43 30.337 0.816 -6.349 1.00 62.11 H new ATOM 0 HB2 ARG A 43 31.054 0.448 -3.965 1.00 23.12 H new ATOM 0 HB3 ARG A 43 31.245 -1.258 -4.316 1.00 23.12 H new ATOM 0 HG2 ARG A 43 33.022 -0.809 -5.906 1.00 52.21 H new ATOM 0 HG3 ARG A 43 32.737 0.918 -5.819 1.00 52.21 H new ATOM 0 HD2 ARG A 43 33.590 -0.782 -3.442 1.00 71.53 H new ATOM 0 HD3 ARG A 43 34.709 0.104 -4.460 1.00 71.53 H new ATOM 0 HE ARG A 43 32.813 2.003 -3.636 1.00 31.31 H new ATOM 0 HH11 ARG A 43 35.104 -0.216 -2.121 1.00 3.44 H new ATOM 0 HH12 ARG A 43 35.359 0.823 -0.715 1.00 3.44 H new ATOM 0 HH21 ARG A 43 33.147 3.332 -1.826 1.00 10.31 H new ATOM 0 HH22 ARG A 43 34.256 2.823 -0.549 1.00 10.31 H new ATOM 705 N PHE A 44 29.765 -2.366 -6.732 1.00 72.14 N ATOM 706 CA PHE A 44 29.887 -3.488 -7.655 1.00 52.30 C ATOM 707 C PHE A 44 28.786 -3.446 -8.711 1.00 22.11 C ATOM 708 O PHE A 44 28.388 -4.478 -9.249 1.00 1.51 O ATOM 709 CB PHE A 44 29.827 -4.812 -6.892 1.00 2.20 C ATOM 710 CG PHE A 44 30.921 -4.968 -5.874 1.00 64.15 C ATOM 711 CD1 PHE A 44 32.245 -4.757 -6.222 1.00 61.31 C ATOM 712 CD2 PHE A 44 30.623 -5.324 -4.567 1.00 14.15 C ATOM 713 CE1 PHE A 44 33.253 -4.899 -5.287 1.00 3.11 C ATOM 714 CE2 PHE A 44 31.628 -5.467 -3.629 1.00 45.25 C ATOM 715 CZ PHE A 44 32.943 -5.253 -3.988 1.00 2.42 C ATOM 0 H PHE A 44 29.109 -2.519 -5.966 1.00 72.14 H new ATOM 0 HA PHE A 44 30.851 -3.410 -8.157 1.00 52.30 H new ATOM 0 HB2 PHE A 44 28.862 -4.890 -6.391 1.00 2.20 H new ATOM 0 HB3 PHE A 44 29.884 -5.635 -7.604 1.00 2.20 H new ATOM 0 HD1 PHE A 44 32.493 -4.478 -7.236 1.00 61.31 H new ATOM 0 HD2 PHE A 44 29.595 -5.491 -4.279 1.00 14.15 H new ATOM 0 HE1 PHE A 44 34.282 -4.733 -5.571 1.00 3.11 H new ATOM 0 HE2 PHE A 44 31.384 -5.746 -2.615 1.00 45.25 H new ATOM 0 HZ PHE A 44 33.729 -5.362 -3.255 1.00 2.42 H new ATOM 725 N ALA A 45 28.297 -2.245 -9.001 1.00 63.22 N ATOM 726 CA ALA A 45 27.243 -2.067 -9.992 1.00 30.44 C ATOM 727 C ALA A 45 25.956 -2.757 -9.553 1.00 13.31 C ATOM 728 O ALA A 45 25.103 -3.085 -10.379 1.00 10.34 O ATOM 729 CB ALA A 45 27.695 -2.598 -11.344 1.00 22.04 C ATOM 0 H ALA A 45 28.614 -1.380 -8.563 1.00 63.22 H new ATOM 0 HA ALA A 45 27.039 -1.000 -10.083 1.00 30.44 H new ATOM 0 HB1 ALA A 45 26.898 -2.459 -12.075 1.00 22.04 H new ATOM 0 HB2 ALA A 45 28.584 -2.057 -11.669 1.00 22.04 H new ATOM 0 HB3 ALA A 45 27.927 -3.660 -11.259 1.00 22.04 H new ATOM 735 N VAL A 46 25.822 -2.977 -8.250 1.00 62.33 N ATOM 736 CA VAL A 46 24.638 -3.628 -7.702 1.00 54.54 C ATOM 737 C VAL A 46 23.890 -2.700 -6.750 1.00 3.11 C ATOM 738 O VAL A 46 24.446 -2.238 -5.755 1.00 12.00 O ATOM 739 CB VAL A 46 25.004 -4.925 -6.956 1.00 31.41 C ATOM 740 CG1 VAL A 46 23.762 -5.565 -6.356 1.00 4.42 C ATOM 741 CG2 VAL A 46 25.717 -5.892 -7.889 1.00 60.12 C ATOM 0 H VAL A 46 26.519 -2.714 -7.553 1.00 62.33 H new ATOM 0 HA VAL A 46 23.993 -3.873 -8.546 1.00 54.54 H new ATOM 0 HB VAL A 46 25.683 -4.676 -6.141 1.00 31.41 H new ATOM 0 HG11 VAL A 46 24.041 -6.480 -5.833 1.00 4.42 H new ATOM 0 HG12 VAL A 46 23.299 -4.872 -5.653 1.00 4.42 H new ATOM 0 HG13 VAL A 46 23.055 -5.802 -7.151 1.00 4.42 H new ATOM 0 HG21 VAL A 46 25.968 -6.803 -7.346 1.00 60.12 H new ATOM 0 HG22 VAL A 46 25.064 -6.137 -8.727 1.00 60.12 H new ATOM 0 HG23 VAL A 46 26.630 -5.429 -8.264 1.00 60.12 H new ATOM 751 N ASN A 47 22.626 -2.433 -7.063 1.00 0.45 N ATOM 752 CA ASN A 47 21.803 -1.560 -6.236 1.00 62.24 C ATOM 753 C ASN A 47 21.557 -2.184 -4.865 1.00 44.12 C ATOM 754 O ASN A 47 21.380 -3.395 -4.729 1.00 74.50 O ATOM 755 CB ASN A 47 20.467 -1.278 -6.927 1.00 1.43 C ATOM 756 CG ASN A 47 20.647 -0.750 -8.338 1.00 4.01 C ATOM 757 OD1 ASN A 47 20.092 -1.296 -9.292 1.00 62.04 O ATOM 758 ND2 ASN A 47 21.427 0.315 -8.475 1.00 75.33 N ATOM 0 H ASN A 47 22.150 -2.809 -7.883 1.00 0.45 H new ATOM 0 HA ASN A 47 22.338 -0.621 -6.098 1.00 62.24 H new ATOM 0 HB2 ASN A 47 19.876 -2.193 -6.957 1.00 1.43 H new ATOM 0 HB3 ASN A 47 19.903 -0.553 -6.340 1.00 1.43 H new ATOM 0 HD21 ASN A 47 21.587 0.714 -9.400 1.00 75.33 H new ATOM 0 HD22 ASN A 47 21.866 0.734 -7.655 1.00 75.33 H new ATOM 765 N PRO A 48 21.543 -1.338 -3.823 1.00 12.34 N ATOM 766 CA PRO A 48 21.318 -1.783 -2.445 1.00 35.14 C ATOM 767 C PRO A 48 19.884 -2.247 -2.213 1.00 31.25 C ATOM 768 O PRO A 48 19.562 -2.796 -1.160 1.00 12.32 O ATOM 769 CB PRO A 48 21.617 -0.532 -1.616 1.00 63.22 C ATOM 770 CG PRO A 48 21.364 0.606 -2.542 1.00 34.01 C ATOM 771 CD PRO A 48 21.746 0.118 -3.913 1.00 22.12 C ATOM 0 HA PRO A 48 21.939 -2.641 -2.186 1.00 35.14 H new ATOM 0 HB2 PRO A 48 20.975 -0.477 -0.737 1.00 63.22 H new ATOM 0 HB3 PRO A 48 22.647 -0.530 -1.259 1.00 63.22 H new ATOM 0 HG2 PRO A 48 20.317 0.907 -2.513 1.00 34.01 H new ATOM 0 HG3 PRO A 48 21.954 1.478 -2.260 1.00 34.01 H new ATOM 0 HD2 PRO A 48 21.122 0.564 -4.687 1.00 22.12 H new ATOM 0 HD3 PRO A 48 22.780 0.366 -4.155 1.00 22.12 H new ATOM 779 N GLY A 49 19.026 -2.022 -3.203 1.00 12.00 N ATOM 780 CA GLY A 49 17.636 -2.423 -3.086 1.00 61.41 C ATOM 781 C GLY A 49 17.430 -3.892 -3.395 1.00 5.41 C ATOM 782 O GLY A 49 16.295 -4.354 -3.526 1.00 35.00 O ATOM 0 H GLY A 49 19.269 -1.569 -4.084 1.00 12.00 H new ATOM 0 HA2 GLY A 49 17.284 -2.214 -2.076 1.00 61.41 H new ATOM 0 HA3 GLY A 49 17.029 -1.823 -3.765 1.00 61.41 H new ATOM 786 N LEU A 50 18.527 -4.631 -3.512 1.00 64.40 N ATOM 787 CA LEU A 50 18.462 -6.058 -3.809 1.00 61.52 C ATOM 788 C LEU A 50 18.512 -6.884 -2.526 1.00 13.15 C ATOM 789 O LEU A 50 18.012 -8.008 -2.480 1.00 42.15 O ATOM 790 CB LEU A 50 19.613 -6.460 -4.733 1.00 50.14 C ATOM 791 CG LEU A 50 19.618 -5.812 -6.118 1.00 53.01 C ATOM 792 CD1 LEU A 50 20.733 -6.392 -6.974 1.00 62.42 C ATOM 793 CD2 LEU A 50 18.270 -5.999 -6.799 1.00 73.03 C ATOM 0 H LEU A 50 19.473 -4.266 -3.406 1.00 64.40 H new ATOM 0 HA LEU A 50 17.515 -6.257 -4.311 1.00 61.52 H new ATOM 0 HB2 LEU A 50 20.553 -6.217 -4.237 1.00 50.14 H new ATOM 0 HB3 LEU A 50 19.590 -7.542 -4.860 1.00 50.14 H new ATOM 0 HG LEU A 50 19.797 -4.744 -5.998 1.00 53.01 H new ATOM 0 HD11 LEU A 50 20.721 -5.919 -7.956 1.00 62.42 H new ATOM 0 HD12 LEU A 50 21.694 -6.207 -6.494 1.00 62.42 H new ATOM 0 HD13 LEU A 50 20.584 -7.466 -7.087 1.00 62.42 H new ATOM 0 HD21 LEU A 50 18.292 -5.532 -7.783 1.00 73.03 H new ATOM 0 HD22 LEU A 50 18.062 -7.063 -6.907 1.00 73.03 H new ATOM 0 HD23 LEU A 50 17.490 -5.536 -6.195 1.00 73.03 H new ATOM 805 N LEU A 51 19.118 -6.319 -1.488 1.00 73.21 N ATOM 806 CA LEU A 51 19.232 -7.001 -0.205 1.00 45.41 C ATOM 807 C LEU A 51 17.883 -7.059 0.503 1.00 44.15 C ATOM 808 O LEU A 51 17.634 -7.952 1.313 1.00 50.12 O ATOM 809 CB LEU A 51 20.257 -6.293 0.683 1.00 62.11 C ATOM 810 CG LEU A 51 21.682 -6.219 0.136 1.00 11.24 C ATOM 811 CD1 LEU A 51 22.473 -5.132 0.848 1.00 51.31 C ATOM 812 CD2 LEU A 51 22.378 -7.566 0.278 1.00 14.41 C ATOM 0 H LEU A 51 19.538 -5.390 -1.510 1.00 73.21 H new ATOM 0 HA LEU A 51 19.567 -8.021 -0.393 1.00 45.41 H new ATOM 0 HB2 LEU A 51 19.907 -5.277 0.868 1.00 62.11 H new ATOM 0 HB3 LEU A 51 20.285 -6.801 1.647 1.00 62.11 H new ATOM 0 HG LEU A 51 21.631 -5.967 -0.923 1.00 11.24 H new ATOM 0 HD11 LEU A 51 23.485 -5.095 0.445 1.00 51.31 H new ATOM 0 HD12 LEU A 51 21.986 -4.169 0.696 1.00 51.31 H new ATOM 0 HD13 LEU A 51 22.516 -5.352 1.915 1.00 51.31 H new ATOM 0 HD21 LEU A 51 23.392 -7.495 -0.117 1.00 14.41 H new ATOM 0 HD22 LEU A 51 22.417 -7.846 1.331 1.00 14.41 H new ATOM 0 HD23 LEU A 51 21.824 -8.322 -0.278 1.00 14.41 H new ATOM 824 N GLU A 52 17.015 -6.102 0.190 1.00 71.32 N ATOM 825 CA GLU A 52 15.690 -6.045 0.796 1.00 43.45 C ATOM 826 C GLU A 52 14.769 -7.101 0.191 1.00 10.32 C ATOM 827 O GLU A 52 13.642 -7.297 0.649 1.00 2.44 O ATOM 828 CB GLU A 52 15.078 -4.655 0.612 1.00 34.40 C ATOM 829 CG GLU A 52 14.827 -4.289 -0.841 1.00 74.23 C ATOM 830 CD GLU A 52 13.350 -4.210 -1.176 1.00 22.51 C ATOM 831 OE1 GLU A 52 12.578 -5.041 -0.655 1.00 73.04 O ATOM 832 OE2 GLU A 52 12.967 -3.314 -1.959 1.00 4.43 O ATOM 0 H GLU A 52 17.205 -5.356 -0.479 1.00 71.32 H new ATOM 0 HA GLU A 52 15.798 -6.248 1.861 1.00 43.45 H new ATOM 0 HB2 GLU A 52 14.136 -4.607 1.158 1.00 34.40 H new ATOM 0 HB3 GLU A 52 15.742 -3.913 1.055 1.00 34.40 H new ATOM 0 HG2 GLU A 52 15.296 -3.329 -1.056 1.00 74.23 H new ATOM 0 HG3 GLU A 52 15.303 -5.028 -1.485 1.00 74.23 H new ATOM 839 N THR A 53 15.256 -7.780 -0.844 1.00 60.41 N ATOM 840 CA THR A 53 14.478 -8.815 -1.513 1.00 34.03 C ATOM 841 C THR A 53 15.209 -10.152 -1.492 1.00 43.15 C ATOM 842 O THR A 53 16.388 -10.232 -1.836 1.00 12.41 O ATOM 843 CB THR A 53 14.176 -8.432 -2.974 1.00 51.31 C ATOM 844 OG1 THR A 53 15.362 -8.549 -3.768 1.00 62.15 O ATOM 845 CG2 THR A 53 13.640 -7.011 -3.062 1.00 64.42 C ATOM 0 H THR A 53 16.186 -7.631 -1.237 1.00 60.41 H new ATOM 0 HA THR A 53 13.539 -8.909 -0.967 1.00 34.03 H new ATOM 0 HB THR A 53 13.416 -9.115 -3.354 1.00 51.31 H new ATOM 0 HG1 THR A 53 16.150 -8.501 -3.188 1.00 62.15 H new ATOM 0 HG21 THR A 53 13.434 -6.764 -4.103 1.00 64.42 H new ATOM 0 HG22 THR A 53 12.721 -6.932 -2.482 1.00 64.42 H new ATOM 0 HG23 THR A 53 14.381 -6.317 -2.664 1.00 64.42 H new ATOM 853 N SER A 54 14.501 -11.201 -1.085 1.00 32.02 N ATOM 854 CA SER A 54 15.084 -12.536 -1.015 1.00 42.33 C ATOM 855 C SER A 54 15.674 -12.942 -2.361 1.00 14.31 C ATOM 856 O SER A 54 16.597 -13.753 -2.427 1.00 4.05 O ATOM 857 CB SER A 54 14.028 -13.554 -0.580 1.00 2.45 C ATOM 858 OG SER A 54 13.550 -14.298 -1.688 1.00 14.04 O ATOM 0 H SER A 54 13.523 -11.152 -0.799 1.00 32.02 H new ATOM 0 HA SER A 54 15.886 -12.517 -0.277 1.00 42.33 H new ATOM 0 HB2 SER A 54 14.454 -14.231 0.160 1.00 2.45 H new ATOM 0 HB3 SER A 54 13.197 -13.038 -0.099 1.00 2.45 H new ATOM 0 HG SER A 54 12.878 -14.943 -1.384 1.00 14.04 H new ATOM 864 N GLU A 55 15.134 -12.372 -3.434 1.00 72.32 N ATOM 865 CA GLU A 55 15.606 -12.675 -4.780 1.00 24.24 C ATOM 866 C GLU A 55 16.939 -11.986 -5.056 1.00 75.13 C ATOM 867 O GLU A 55 17.880 -12.605 -5.550 1.00 12.35 O ATOM 868 CB GLU A 55 14.569 -12.240 -5.818 1.00 12.44 C ATOM 869 CG GLU A 55 14.341 -13.266 -6.916 1.00 21.34 C ATOM 870 CD GLU A 55 14.534 -12.686 -8.305 1.00 63.10 C ATOM 871 OE1 GLU A 55 13.759 -11.782 -8.682 1.00 22.50 O ATOM 872 OE2 GLU A 55 15.457 -13.137 -9.013 1.00 40.40 O ATOM 0 H GLU A 55 14.369 -11.698 -3.397 1.00 72.32 H new ATOM 0 HA GLU A 55 15.752 -13.753 -4.853 1.00 24.24 H new ATOM 0 HB2 GLU A 55 13.623 -12.043 -5.314 1.00 12.44 H new ATOM 0 HB3 GLU A 55 14.891 -11.302 -6.270 1.00 12.44 H new ATOM 0 HG2 GLU A 55 15.027 -14.101 -6.776 1.00 21.34 H new ATOM 0 HG3 GLU A 55 13.331 -13.666 -6.830 1.00 21.34 H new ATOM 879 N GLY A 56 17.010 -10.697 -4.735 1.00 61.20 N ATOM 880 CA GLY A 56 18.230 -9.944 -4.956 1.00 34.35 C ATOM 881 C GLY A 56 19.415 -10.525 -4.209 1.00 73.11 C ATOM 882 O GLY A 56 20.505 -10.655 -4.766 1.00 31.25 O ATOM 0 H GLY A 56 16.244 -10.162 -4.326 1.00 61.20 H new ATOM 0 HA2 GLY A 56 18.452 -9.923 -6.023 1.00 34.35 H new ATOM 0 HA3 GLY A 56 18.078 -8.911 -4.642 1.00 34.35 H new ATOM 886 N CYS A 57 19.201 -10.874 -2.946 1.00 21.30 N ATOM 887 CA CYS A 57 20.261 -11.442 -2.120 1.00 41.32 C ATOM 888 C CYS A 57 20.909 -12.635 -2.813 1.00 1.14 C ATOM 889 O CYS A 57 22.132 -12.705 -2.935 1.00 2.43 O ATOM 890 CB CYS A 57 19.703 -11.868 -0.761 1.00 30.43 C ATOM 891 SG CYS A 57 19.922 -10.636 0.545 1.00 10.40 S ATOM 0 H CYS A 57 18.304 -10.774 -2.471 1.00 21.30 H new ATOM 0 HA CYS A 57 21.021 -10.675 -1.969 1.00 41.32 H new ATOM 0 HB2 CYS A 57 18.640 -12.084 -0.868 1.00 30.43 H new ATOM 0 HB3 CYS A 57 20.187 -12.796 -0.456 1.00 30.43 H new ATOM 0 HG CYS A 57 19.417 -11.086 1.655 1.00 10.40 H new ATOM 897 N ARG A 58 20.082 -13.573 -3.265 1.00 61.31 N ATOM 898 CA ARG A 58 20.576 -14.765 -3.944 1.00 24.21 C ATOM 899 C ARG A 58 21.432 -14.389 -5.149 1.00 41.22 C ATOM 900 O ARG A 58 22.504 -14.954 -5.361 1.00 24.43 O ATOM 901 CB ARG A 58 19.406 -15.646 -4.388 1.00 31.51 C ATOM 902 CG ARG A 58 19.836 -16.993 -4.945 1.00 51.32 C ATOM 903 CD ARG A 58 18.786 -17.568 -5.883 1.00 0.11 C ATOM 904 NE ARG A 58 19.184 -18.868 -6.417 1.00 11.33 N ATOM 905 CZ ARG A 58 18.600 -19.442 -7.463 1.00 75.43 C ATOM 906 NH1 ARG A 58 17.598 -18.835 -8.084 1.00 31.51 N ATOM 907 NH2 ARG A 58 19.019 -20.626 -7.892 1.00 2.20 N ATOM 0 H ARG A 58 19.067 -13.530 -3.173 1.00 61.31 H new ATOM 0 HA ARG A 58 21.195 -15.323 -3.242 1.00 24.21 H new ATOM 0 HB2 ARG A 58 18.742 -15.808 -3.539 1.00 31.51 H new ATOM 0 HB3 ARG A 58 18.830 -15.116 -5.146 1.00 31.51 H new ATOM 0 HG2 ARG A 58 20.781 -16.883 -5.478 1.00 51.32 H new ATOM 0 HG3 ARG A 58 20.012 -17.688 -4.124 1.00 51.32 H new ATOM 0 HD2 ARG A 58 17.840 -17.669 -5.351 1.00 0.11 H new ATOM 0 HD3 ARG A 58 18.616 -16.874 -6.706 1.00 0.11 H new ATOM 0 HE ARG A 58 19.952 -19.362 -5.962 1.00 11.33 H new ATOM 0 HH11 ARG A 58 17.273 -17.924 -7.759 1.00 31.51 H new ATOM 0 HH12 ARG A 58 17.152 -19.279 -8.887 1.00 31.51 H new ATOM 0 HH21 ARG A 58 19.790 -21.096 -7.418 1.00 2.20 H new ATOM 0 HH22 ARG A 58 18.570 -21.066 -8.695 1.00 2.20 H new ATOM 921 N GLN A 59 20.948 -13.433 -5.937 1.00 24.32 N ATOM 922 CA GLN A 59 21.668 -12.983 -7.121 1.00 14.32 C ATOM 923 C GLN A 59 23.057 -12.472 -6.754 1.00 43.51 C ATOM 924 O GLN A 59 23.995 -12.572 -7.545 1.00 12.34 O ATOM 925 CB GLN A 59 20.880 -11.884 -7.836 1.00 33.10 C ATOM 926 CG GLN A 59 21.324 -11.653 -9.272 1.00 22.11 C ATOM 927 CD GLN A 59 21.261 -12.912 -10.112 1.00 53.50 C ATOM 928 OE1 GLN A 59 22.273 -13.577 -10.333 1.00 10.15 O ATOM 929 NE2 GLN A 59 20.067 -13.249 -10.587 1.00 75.24 N ATOM 0 H GLN A 59 20.061 -12.956 -5.776 1.00 24.32 H new ATOM 0 HA GLN A 59 21.781 -13.835 -7.791 1.00 14.32 H new ATOM 0 HB2 GLN A 59 19.822 -12.144 -7.829 1.00 33.10 H new ATOM 0 HB3 GLN A 59 20.983 -10.953 -7.278 1.00 33.10 H new ATOM 0 HG2 GLN A 59 20.694 -10.887 -9.724 1.00 22.11 H new ATOM 0 HG3 GLN A 59 22.344 -11.269 -9.275 1.00 22.11 H new ATOM 0 HE21 GLN A 59 19.254 -12.669 -10.380 1.00 75.24 H new ATOM 0 HE22 GLN A 59 19.964 -14.087 -11.159 1.00 75.24 H new ATOM 938 N ILE A 60 23.181 -11.925 -5.549 1.00 10.31 N ATOM 939 CA ILE A 60 24.455 -11.400 -5.077 1.00 33.45 C ATOM 940 C ILE A 60 25.369 -12.522 -4.597 1.00 10.12 C ATOM 941 O ILE A 60 26.539 -12.591 -4.978 1.00 42.21 O ATOM 942 CB ILE A 60 24.258 -10.389 -3.932 1.00 2.40 C ATOM 943 CG1 ILE A 60 23.370 -9.232 -4.392 1.00 71.44 C ATOM 944 CG2 ILE A 60 25.603 -9.871 -3.445 1.00 22.32 C ATOM 945 CD1 ILE A 60 22.780 -8.433 -3.251 1.00 64.34 C ATOM 0 H ILE A 60 22.414 -11.834 -4.882 1.00 10.31 H new ATOM 0 HA ILE A 60 24.919 -10.893 -5.923 1.00 33.45 H new ATOM 0 HB ILE A 60 23.764 -10.894 -3.102 1.00 2.40 H new ATOM 0 HG12 ILE A 60 23.954 -8.566 -5.027 1.00 71.44 H new ATOM 0 HG13 ILE A 60 22.560 -9.628 -5.005 1.00 71.44 H new ATOM 0 HG21 ILE A 60 25.447 -9.158 -2.636 1.00 22.32 H new ATOM 0 HG22 ILE A 60 26.204 -10.705 -3.083 1.00 22.32 H new ATOM 0 HG23 ILE A 60 26.123 -9.379 -4.267 1.00 22.32 H new ATOM 0 HD11 ILE A 60 22.162 -7.629 -3.651 1.00 64.34 H new ATOM 0 HD12 ILE A 60 22.168 -9.086 -2.628 1.00 64.34 H new ATOM 0 HD13 ILE A 60 23.584 -8.008 -2.651 1.00 64.34 H new ATOM 957 N LEU A 61 24.829 -13.401 -3.761 1.00 52.53 N ATOM 958 CA LEU A 61 25.594 -14.524 -3.231 1.00 63.22 C ATOM 959 C LEU A 61 26.036 -15.460 -4.351 1.00 43.14 C ATOM 960 O LEU A 61 27.038 -16.163 -4.227 1.00 34.11 O ATOM 961 CB LEU A 61 24.761 -15.295 -2.204 1.00 14.04 C ATOM 962 CG LEU A 61 24.261 -14.489 -1.005 1.00 14.31 C ATOM 963 CD1 LEU A 61 22.981 -15.097 -0.451 1.00 74.01 C ATOM 964 CD2 LEU A 61 25.331 -14.418 0.075 1.00 50.24 C ATOM 0 H LEU A 61 23.863 -13.358 -3.435 1.00 52.53 H new ATOM 0 HA LEU A 61 26.484 -14.127 -2.743 1.00 63.22 H new ATOM 0 HB2 LEU A 61 23.898 -15.724 -2.714 1.00 14.04 H new ATOM 0 HB3 LEU A 61 25.358 -16.128 -1.833 1.00 14.04 H new ATOM 0 HG LEU A 61 24.043 -13.474 -1.339 1.00 14.31 H new ATOM 0 HD11 LEU A 61 22.639 -14.511 0.402 1.00 74.01 H new ATOM 0 HD12 LEU A 61 22.213 -15.095 -1.224 1.00 74.01 H new ATOM 0 HD13 LEU A 61 23.173 -16.122 -0.133 1.00 74.01 H new ATOM 0 HD21 LEU A 61 24.957 -13.840 0.920 1.00 50.24 H new ATOM 0 HD22 LEU A 61 25.581 -15.426 0.406 1.00 50.24 H new ATOM 0 HD23 LEU A 61 26.222 -13.937 -0.327 1.00 50.24 H new ATOM 976 N GLY A 62 25.280 -15.463 -5.445 1.00 43.14 N ATOM 977 CA GLY A 62 25.610 -16.315 -6.572 1.00 1.53 C ATOM 978 C GLY A 62 26.899 -15.901 -7.254 1.00 32.01 C ATOM 979 O GLY A 62 27.518 -16.696 -7.961 1.00 51.23 O ATOM 0 H GLY A 62 24.445 -14.891 -5.570 1.00 43.14 H new ATOM 0 HA2 GLY A 62 25.698 -17.346 -6.230 1.00 1.53 H new ATOM 0 HA3 GLY A 62 24.795 -16.288 -7.295 1.00 1.53 H new ATOM 983 N GLN A 63 27.305 -14.653 -7.042 1.00 0.41 N ATOM 984 CA GLN A 63 28.528 -14.135 -7.643 1.00 11.10 C ATOM 985 C GLN A 63 29.688 -14.194 -6.656 1.00 62.24 C ATOM 986 O GLN A 63 30.845 -14.346 -7.050 1.00 62.21 O ATOM 987 CB GLN A 63 28.318 -12.696 -8.117 1.00 23.30 C ATOM 988 CG GLN A 63 28.226 -12.559 -9.628 1.00 33.44 C ATOM 989 CD GLN A 63 28.847 -11.274 -10.136 1.00 35.54 C ATOM 990 OE1 GLN A 63 30.041 -11.033 -9.953 1.00 31.25 O ATOM 991 NE2 GLN A 63 28.040 -10.438 -10.779 1.00 43.12 N ATOM 0 H GLN A 63 26.805 -13.982 -6.459 1.00 0.41 H new ATOM 0 HA GLN A 63 28.774 -14.761 -8.501 1.00 11.10 H new ATOM 0 HB2 GLN A 63 27.405 -12.305 -7.669 1.00 23.30 H new ATOM 0 HB3 GLN A 63 29.140 -12.079 -7.754 1.00 23.30 H new ATOM 0 HG2 GLN A 63 28.723 -13.408 -10.097 1.00 33.44 H new ATOM 0 HG3 GLN A 63 27.179 -12.596 -9.929 1.00 33.44 H new ATOM 0 HE21 GLN A 63 27.057 -10.677 -10.909 1.00 43.12 H new ATOM 0 HE22 GLN A 63 28.403 -9.557 -11.143 1.00 43.12 H new ATOM 1000 N LEU A 64 29.371 -14.074 -5.371 1.00 31.05 N ATOM 1001 CA LEU A 64 30.389 -14.113 -4.326 1.00 42.04 C ATOM 1002 C LEU A 64 30.725 -15.552 -3.948 1.00 62.31 C ATOM 1003 O LEU A 64 31.825 -15.838 -3.474 1.00 52.15 O ATOM 1004 CB LEU A 64 29.908 -13.348 -3.091 1.00 21.33 C ATOM 1005 CG LEU A 64 29.390 -11.931 -3.340 1.00 25.31 C ATOM 1006 CD1 LEU A 64 28.934 -11.294 -2.036 1.00 63.34 C ATOM 1007 CD2 LEU A 64 30.461 -11.080 -4.005 1.00 51.11 C ATOM 0 H LEU A 64 28.419 -13.949 -5.028 1.00 31.05 H new ATOM 0 HA LEU A 64 31.291 -13.638 -4.712 1.00 42.04 H new ATOM 0 HB2 LEU A 64 29.115 -13.925 -2.617 1.00 21.33 H new ATOM 0 HB3 LEU A 64 30.731 -13.293 -2.379 1.00 21.33 H new ATOM 0 HG LEU A 64 28.534 -11.990 -4.012 1.00 25.31 H new ATOM 0 HD11 LEU A 64 28.568 -10.286 -2.232 1.00 63.34 H new ATOM 0 HD12 LEU A 64 28.134 -11.892 -1.599 1.00 63.34 H new ATOM 0 HD13 LEU A 64 29.773 -11.247 -1.341 1.00 63.34 H new ATOM 0 HD21 LEU A 64 30.074 -10.075 -4.174 1.00 51.11 H new ATOM 0 HD22 LEU A 64 31.337 -11.027 -3.359 1.00 51.11 H new ATOM 0 HD23 LEU A 64 30.740 -11.527 -4.959 1.00 51.11 H new ATOM 1019 N GLN A 65 29.772 -16.454 -4.162 1.00 34.20 N ATOM 1020 CA GLN A 65 29.969 -17.863 -3.846 1.00 62.44 C ATOM 1021 C GLN A 65 31.254 -18.388 -4.476 1.00 53.44 C ATOM 1022 O GLN A 65 32.179 -18.823 -3.790 1.00 12.33 O ATOM 1023 CB GLN A 65 28.775 -18.687 -4.328 1.00 53.52 C ATOM 1024 CG GLN A 65 27.924 -19.246 -3.199 1.00 71.23 C ATOM 1025 CD GLN A 65 27.017 -20.373 -3.653 1.00 63.21 C ATOM 1026 OE1 GLN A 65 26.082 -20.160 -4.425 1.00 33.41 O ATOM 1027 NE2 GLN A 65 27.289 -21.581 -3.175 1.00 71.11 N ATOM 0 H GLN A 65 28.856 -16.233 -4.553 1.00 34.20 H new ATOM 0 HA GLN A 65 30.053 -17.958 -2.763 1.00 62.44 H new ATOM 0 HB2 GLN A 65 28.150 -18.065 -4.969 1.00 53.52 H new ATOM 0 HB3 GLN A 65 29.138 -19.512 -4.941 1.00 53.52 H new ATOM 0 HG2 GLN A 65 28.575 -19.607 -2.403 1.00 71.23 H new ATOM 0 HG3 GLN A 65 27.318 -18.445 -2.776 1.00 71.23 H new ATOM 0 HE21 GLN A 65 28.074 -21.712 -2.537 1.00 71.11 H new ATOM 0 HE22 GLN A 65 26.713 -22.378 -3.445 1.00 71.11 H new ATOM 1036 N PRO A 66 31.315 -18.350 -5.816 1.00 70.33 N ATOM 1037 CA PRO A 66 32.482 -18.818 -6.569 1.00 42.45 C ATOM 1038 C PRO A 66 33.691 -17.907 -6.390 1.00 13.12 C ATOM 1039 O PRO A 66 34.821 -18.294 -6.687 1.00 52.51 O ATOM 1040 CB PRO A 66 32.001 -18.789 -8.021 1.00 55.44 C ATOM 1041 CG PRO A 66 30.918 -17.766 -8.042 1.00 42.33 C ATOM 1042 CD PRO A 66 30.249 -17.845 -6.698 1.00 51.13 C ATOM 0 HA PRO A 66 32.815 -19.801 -6.235 1.00 42.45 H new ATOM 0 HB2 PRO A 66 32.810 -18.522 -8.701 1.00 55.44 H new ATOM 0 HB3 PRO A 66 31.630 -19.765 -8.334 1.00 55.44 H new ATOM 0 HG2 PRO A 66 31.325 -16.770 -8.218 1.00 42.33 H new ATOM 0 HG3 PRO A 66 30.208 -17.966 -8.844 1.00 42.33 H new ATOM 0 HD2 PRO A 66 29.886 -16.870 -6.372 1.00 51.13 H new ATOM 0 HD3 PRO A 66 29.390 -18.516 -6.715 1.00 51.13 H new ATOM 1050 N SER A 67 33.446 -16.695 -5.903 1.00 64.31 N ATOM 1051 CA SER A 67 34.516 -15.728 -5.687 1.00 65.11 C ATOM 1052 C SER A 67 34.880 -15.641 -4.207 1.00 32.42 C ATOM 1053 O SER A 67 35.366 -14.613 -3.735 1.00 62.51 O ATOM 1054 CB SER A 67 34.097 -14.350 -6.203 1.00 23.12 C ATOM 1055 OG SER A 67 35.185 -13.685 -6.820 1.00 35.12 O ATOM 0 H SER A 67 32.517 -16.359 -5.651 1.00 64.31 H new ATOM 0 HA SER A 67 35.394 -16.064 -6.239 1.00 65.11 H new ATOM 0 HB2 SER A 67 33.281 -14.458 -6.917 1.00 23.12 H new ATOM 0 HB3 SER A 67 33.720 -13.748 -5.376 1.00 23.12 H new ATOM 0 HG SER A 67 34.892 -12.807 -7.143 1.00 35.12 H new ATOM 1061 N LEU A 68 34.642 -16.727 -3.481 1.00 40.03 N ATOM 1062 CA LEU A 68 34.943 -16.776 -2.055 1.00 13.15 C ATOM 1063 C LEU A 68 36.427 -17.041 -1.821 1.00 21.24 C ATOM 1064 O LEU A 68 37.003 -16.574 -0.840 1.00 31.13 O ATOM 1065 CB LEU A 68 34.106 -17.859 -1.373 1.00 11.12 C ATOM 1066 CG LEU A 68 32.808 -17.390 -0.716 1.00 72.32 C ATOM 1067 CD1 LEU A 68 31.967 -18.581 -0.284 1.00 62.13 C ATOM 1068 CD2 LEU A 68 33.107 -16.487 0.472 1.00 62.11 C ATOM 0 H LEU A 68 34.241 -17.586 -3.857 1.00 40.03 H new ATOM 0 HA LEU A 68 34.693 -15.807 -1.623 1.00 13.15 H new ATOM 0 HB2 LEU A 68 33.860 -18.620 -2.113 1.00 11.12 H new ATOM 0 HB3 LEU A 68 34.721 -18.340 -0.613 1.00 11.12 H new ATOM 0 HG LEU A 68 32.240 -16.817 -1.449 1.00 72.32 H new ATOM 0 HD11 LEU A 68 31.047 -18.227 0.182 1.00 62.13 H new ATOM 0 HD12 LEU A 68 31.722 -19.189 -1.155 1.00 62.13 H new ATOM 0 HD13 LEU A 68 32.528 -19.182 0.432 1.00 62.13 H new ATOM 0 HD21 LEU A 68 32.171 -16.163 0.927 1.00 62.11 H new ATOM 0 HD22 LEU A 68 33.697 -17.035 1.206 1.00 62.11 H new ATOM 0 HD23 LEU A 68 33.667 -15.615 0.134 1.00 62.11 H new ATOM 1080 N GLN A 69 37.039 -17.793 -2.731 1.00 61.21 N ATOM 1081 CA GLN A 69 38.456 -18.119 -2.624 1.00 60.14 C ATOM 1082 C GLN A 69 39.318 -16.985 -3.168 1.00 63.01 C ATOM 1083 O GLN A 69 40.379 -16.678 -2.622 1.00 43.24 O ATOM 1084 CB GLN A 69 38.761 -19.415 -3.378 1.00 20.51 C ATOM 1085 CG GLN A 69 40.130 -19.995 -3.060 1.00 13.01 C ATOM 1086 CD GLN A 69 40.112 -20.903 -1.847 1.00 31.23 C ATOM 1087 OE1 GLN A 69 39.696 -20.499 -0.761 1.00 0.12 O ATOM 1088 NE2 GLN A 69 40.565 -22.138 -2.025 1.00 3.55 N ATOM 0 H GLN A 69 36.576 -18.187 -3.550 1.00 61.21 H new ATOM 0 HA GLN A 69 38.693 -18.257 -1.569 1.00 60.14 H new ATOM 0 HB2 GLN A 69 37.997 -20.154 -3.137 1.00 20.51 H new ATOM 0 HB3 GLN A 69 38.695 -19.226 -4.450 1.00 20.51 H new ATOM 0 HG2 GLN A 69 40.492 -20.554 -3.922 1.00 13.01 H new ATOM 0 HG3 GLN A 69 40.834 -19.181 -2.889 1.00 13.01 H new ATOM 0 HE21 GLN A 69 40.901 -22.431 -2.943 1.00 3.55 H new ATOM 0 HE22 GLN A 69 40.578 -22.794 -1.244 1.00 3.55 H new ATOM 1097 N THR A 70 38.857 -16.364 -4.249 1.00 72.42 N ATOM 1098 CA THR A 70 39.586 -15.264 -4.869 1.00 41.42 C ATOM 1099 C THR A 70 38.971 -13.919 -4.499 1.00 24.45 C ATOM 1100 O THR A 70 39.112 -12.940 -5.230 1.00 62.30 O ATOM 1101 CB THR A 70 39.609 -15.401 -6.403 1.00 35.34 C ATOM 1102 OG1 THR A 70 39.536 -16.781 -6.774 1.00 1.53 O ATOM 1103 CG2 THR A 70 40.874 -14.782 -6.981 1.00 73.22 C ATOM 0 H THR A 70 37.981 -16.604 -4.714 1.00 72.42 H new ATOM 0 HA THR A 70 40.608 -15.309 -4.492 1.00 41.42 H new ATOM 0 HB THR A 70 38.745 -14.872 -6.806 1.00 35.34 H new ATOM 0 HG1 THR A 70 39.549 -16.858 -7.751 1.00 1.53 H new ATOM 0 HG21 THR A 70 40.869 -14.890 -8.066 1.00 73.22 H new ATOM 0 HG22 THR A 70 40.912 -13.724 -6.722 1.00 73.22 H new ATOM 0 HG23 THR A 70 41.747 -15.288 -6.570 1.00 73.22 H new ATOM 1111 N GLY A 71 38.290 -13.879 -3.358 1.00 63.12 N ATOM 1112 CA GLY A 71 37.665 -12.648 -2.910 1.00 70.02 C ATOM 1113 C GLY A 71 38.497 -11.918 -1.875 1.00 71.30 C ATOM 1114 O GLY A 71 39.365 -12.512 -1.235 1.00 41.35 O ATOM 0 H GLY A 71 38.160 -14.677 -2.736 1.00 63.12 H new ATOM 0 HA2 GLY A 71 37.502 -11.994 -3.767 1.00 70.02 H new ATOM 0 HA3 GLY A 71 36.685 -12.874 -2.490 1.00 70.02 H new ATOM 1118 N SER A 72 38.233 -10.626 -1.710 1.00 31.13 N ATOM 1119 CA SER A 72 38.969 -9.812 -0.749 1.00 12.42 C ATOM 1120 C SER A 72 38.206 -9.705 0.568 1.00 11.23 C ATOM 1121 O SER A 72 37.137 -10.293 0.727 1.00 72.22 O ATOM 1122 CB SER A 72 39.222 -8.415 -1.319 1.00 13.42 C ATOM 1123 OG SER A 72 38.164 -7.532 -0.994 1.00 64.43 O ATOM 0 H SER A 72 37.515 -10.120 -2.229 1.00 31.13 H new ATOM 0 HA SER A 72 39.926 -10.297 -0.557 1.00 12.42 H new ATOM 0 HB2 SER A 72 40.160 -8.023 -0.926 1.00 13.42 H new ATOM 0 HB3 SER A 72 39.330 -8.475 -2.402 1.00 13.42 H new ATOM 0 HG SER A 72 38.490 -6.845 -0.376 1.00 64.43 H new ATOM 1129 N GLU A 73 38.765 -8.951 1.509 1.00 23.41 N ATOM 1130 CA GLU A 73 38.139 -8.768 2.813 1.00 11.20 C ATOM 1131 C GLU A 73 36.694 -8.301 2.662 1.00 14.32 C ATOM 1132 O GLU A 73 35.802 -8.768 3.369 1.00 1.35 O ATOM 1133 CB GLU A 73 38.928 -7.756 3.646 1.00 2.14 C ATOM 1134 CG GLU A 73 39.532 -8.347 4.909 1.00 1.22 C ATOM 1135 CD GLU A 73 40.798 -7.633 5.341 1.00 73.11 C ATOM 1136 OE1 GLU A 73 40.956 -6.444 4.991 1.00 61.41 O ATOM 1137 OE2 GLU A 73 41.631 -8.262 6.026 1.00 43.42 O ATOM 0 H GLU A 73 39.650 -8.457 1.393 1.00 23.41 H new ATOM 0 HA GLU A 73 38.141 -9.730 3.326 1.00 11.20 H new ATOM 0 HB2 GLU A 73 39.726 -7.337 3.033 1.00 2.14 H new ATOM 0 HB3 GLU A 73 38.270 -6.931 3.919 1.00 2.14 H new ATOM 0 HG2 GLU A 73 38.799 -8.298 5.715 1.00 1.22 H new ATOM 0 HG3 GLU A 73 39.753 -9.401 4.742 1.00 1.22 H new ATOM 1144 N GLU A 74 36.472 -7.375 1.734 1.00 1.11 N ATOM 1145 CA GLU A 74 35.137 -6.843 1.491 1.00 53.34 C ATOM 1146 C GLU A 74 34.182 -7.949 1.048 1.00 23.15 C ATOM 1147 O GLU A 74 33.098 -8.109 1.609 1.00 40.31 O ATOM 1148 CB GLU A 74 35.186 -5.743 0.427 1.00 21.23 C ATOM 1149 CG GLU A 74 35.563 -4.379 0.980 1.00 32.03 C ATOM 1150 CD GLU A 74 37.020 -4.300 1.394 1.00 63.50 C ATOM 1151 OE1 GLU A 74 37.855 -4.981 0.764 1.00 20.30 O ATOM 1152 OE2 GLU A 74 37.324 -3.555 2.350 1.00 5.13 O ATOM 0 H GLU A 74 37.199 -6.978 1.139 1.00 1.11 H new ATOM 0 HA GLU A 74 34.769 -6.419 2.425 1.00 53.34 H new ATOM 0 HB2 GLU A 74 35.904 -6.025 -0.343 1.00 21.23 H new ATOM 0 HB3 GLU A 74 34.212 -5.673 -0.057 1.00 21.23 H new ATOM 0 HG2 GLU A 74 35.361 -3.617 0.227 1.00 32.03 H new ATOM 0 HG3 GLU A 74 34.932 -4.152 1.839 1.00 32.03 H new ATOM 1159 N LEU A 75 34.594 -8.709 0.040 1.00 3.41 N ATOM 1160 CA LEU A 75 33.777 -9.801 -0.479 1.00 34.55 C ATOM 1161 C LEU A 75 33.419 -10.787 0.628 1.00 24.31 C ATOM 1162 O LEU A 75 32.279 -11.242 0.723 1.00 22.03 O ATOM 1163 CB LEU A 75 34.516 -10.527 -1.604 1.00 32.11 C ATOM 1164 CG LEU A 75 33.640 -11.277 -2.608 1.00 10.51 C ATOM 1165 CD1 LEU A 75 34.295 -11.298 -3.979 1.00 35.41 C ATOM 1166 CD2 LEU A 75 33.368 -12.694 -2.124 1.00 3.11 C ATOM 0 H LEU A 75 35.489 -8.590 -0.435 1.00 3.41 H new ATOM 0 HA LEU A 75 32.854 -9.375 -0.874 1.00 34.55 H new ATOM 0 HB2 LEU A 75 35.115 -9.797 -2.149 1.00 32.11 H new ATOM 0 HB3 LEU A 75 35.210 -11.238 -1.156 1.00 32.11 H new ATOM 0 HG LEU A 75 32.688 -10.753 -2.692 1.00 10.51 H new ATOM 0 HD11 LEU A 75 33.656 -11.836 -4.679 1.00 35.41 H new ATOM 0 HD12 LEU A 75 34.438 -10.276 -4.330 1.00 35.41 H new ATOM 0 HD13 LEU A 75 35.262 -11.797 -3.913 1.00 35.41 H new ATOM 0 HD21 LEU A 75 32.743 -13.213 -2.851 1.00 3.11 H new ATOM 0 HD22 LEU A 75 34.312 -13.227 -2.010 1.00 3.11 H new ATOM 0 HD23 LEU A 75 32.854 -12.658 -1.164 1.00 3.11 H new ATOM 1178 N ARG A 76 34.399 -11.111 1.465 1.00 33.11 N ATOM 1179 CA ARG A 76 34.188 -12.042 2.567 1.00 55.24 C ATOM 1180 C ARG A 76 33.090 -11.539 3.500 1.00 12.04 C ATOM 1181 O ARG A 76 32.093 -12.224 3.728 1.00 12.30 O ATOM 1182 CB ARG A 76 35.486 -12.242 3.351 1.00 71.55 C ATOM 1183 CG ARG A 76 35.748 -13.688 3.736 1.00 25.45 C ATOM 1184 CD ARG A 76 34.797 -14.155 4.827 1.00 53.12 C ATOM 1185 NE ARG A 76 35.204 -13.682 6.148 1.00 43.43 N ATOM 1186 CZ ARG A 76 36.265 -14.147 6.799 1.00 51.24 C ATOM 1187 NH1 ARG A 76 37.021 -15.090 6.254 1.00 72.43 N ATOM 1188 NH2 ARG A 76 36.571 -13.667 7.997 1.00 44.21 N ATOM 0 H ARG A 76 35.348 -10.742 1.401 1.00 33.11 H new ATOM 0 HA ARG A 76 33.875 -12.998 2.147 1.00 55.24 H new ATOM 0 HB2 ARG A 76 36.321 -11.877 2.753 1.00 71.55 H new ATOM 0 HB3 ARG A 76 35.452 -11.635 4.255 1.00 71.55 H new ATOM 0 HG2 ARG A 76 35.638 -14.325 2.858 1.00 25.45 H new ATOM 0 HG3 ARG A 76 36.777 -13.794 4.079 1.00 25.45 H new ATOM 0 HD2 ARG A 76 33.791 -13.797 4.608 1.00 53.12 H new ATOM 0 HD3 ARG A 76 34.755 -15.244 4.829 1.00 53.12 H new ATOM 0 HE ARG A 76 34.644 -12.956 6.594 1.00 43.43 H new ATOM 0 HH11 ARG A 76 36.789 -15.461 5.332 1.00 72.43 H new ATOM 0 HH12 ARG A 76 37.835 -15.445 6.756 1.00 72.43 H new ATOM 0 HH21 ARG A 76 35.992 -12.941 8.419 1.00 44.21 H new ATOM 0 HH22 ARG A 76 37.385 -14.024 8.497 1.00 44.21 H new ATOM 1202 N SER A 77 33.281 -10.338 4.038 1.00 14.33 N ATOM 1203 CA SER A 77 32.310 -9.746 4.949 1.00 22.33 C ATOM 1204 C SER A 77 30.923 -9.706 4.315 1.00 3.20 C ATOM 1205 O SER A 77 29.910 -9.870 4.998 1.00 11.54 O ATOM 1206 CB SER A 77 32.744 -8.332 5.342 1.00 61.23 C ATOM 1207 OG SER A 77 33.509 -8.346 6.535 1.00 54.45 O ATOM 0 H SER A 77 34.100 -9.757 3.858 1.00 14.33 H new ATOM 0 HA SER A 77 32.263 -10.367 5.844 1.00 22.33 H new ATOM 0 HB2 SER A 77 33.330 -7.891 4.536 1.00 61.23 H new ATOM 0 HB3 SER A 77 31.864 -7.703 5.478 1.00 61.23 H new ATOM 0 HG SER A 77 33.775 -7.431 6.764 1.00 54.45 H new ATOM 1213 N LEU A 78 30.885 -9.487 3.006 1.00 53.52 N ATOM 1214 CA LEU A 78 29.622 -9.427 2.276 1.00 63.40 C ATOM 1215 C LEU A 78 28.864 -10.746 2.389 1.00 1.30 C ATOM 1216 O LEU A 78 27.721 -10.780 2.843 1.00 64.40 O ATOM 1217 CB LEU A 78 29.875 -9.094 0.806 1.00 34.01 C ATOM 1218 CG LEU A 78 29.575 -7.655 0.381 1.00 1.35 C ATOM 1219 CD1 LEU A 78 28.126 -7.304 0.675 1.00 12.32 C ATOM 1220 CD2 LEU A 78 30.515 -6.686 1.084 1.00 43.22 C ATOM 0 H LEU A 78 31.713 -9.348 2.427 1.00 53.52 H new ATOM 0 HA LEU A 78 29.012 -8.640 2.719 1.00 63.40 H new ATOM 0 HB2 LEU A 78 30.920 -9.308 0.581 1.00 34.01 H new ATOM 0 HB3 LEU A 78 29.273 -9.765 0.194 1.00 34.01 H new ATOM 0 HG LEU A 78 29.736 -7.571 -0.694 1.00 1.35 H new ATOM 0 HD11 LEU A 78 27.931 -6.277 0.366 1.00 12.32 H new ATOM 0 HD12 LEU A 78 27.470 -7.979 0.126 1.00 12.32 H new ATOM 0 HD13 LEU A 78 27.937 -7.404 1.744 1.00 12.32 H new ATOM 0 HD21 LEU A 78 30.288 -5.667 0.771 1.00 43.22 H new ATOM 0 HD22 LEU A 78 30.385 -6.771 2.163 1.00 43.22 H new ATOM 0 HD23 LEU A 78 31.546 -6.925 0.823 1.00 43.22 H new ATOM 1232 N TYR A 79 29.510 -11.830 1.973 1.00 23.24 N ATOM 1233 CA TYR A 79 28.897 -13.152 2.026 1.00 0.13 C ATOM 1234 C TYR A 79 28.358 -13.447 3.422 1.00 23.41 C ATOM 1235 O TYR A 79 27.381 -14.176 3.582 1.00 1.10 O ATOM 1236 CB TYR A 79 29.912 -14.224 1.622 1.00 61.44 C ATOM 1237 CG TYR A 79 29.275 -15.493 1.104 1.00 10.13 C ATOM 1238 CD1 TYR A 79 28.517 -15.489 -0.061 1.00 21.04 C ATOM 1239 CD2 TYR A 79 29.432 -16.698 1.778 1.00 42.41 C ATOM 1240 CE1 TYR A 79 27.934 -16.646 -0.538 1.00 3.45 C ATOM 1241 CE2 TYR A 79 28.853 -17.861 1.307 1.00 25.24 C ATOM 1242 CZ TYR A 79 28.106 -17.830 0.149 1.00 51.41 C ATOM 1243 OH TYR A 79 27.526 -18.985 -0.322 1.00 2.43 O ATOM 0 H TYR A 79 30.458 -11.819 1.596 1.00 23.24 H new ATOM 0 HA TYR A 79 28.063 -13.167 1.324 1.00 0.13 H new ATOM 0 HB2 TYR A 79 30.571 -13.818 0.854 1.00 61.44 H new ATOM 0 HB3 TYR A 79 30.536 -14.465 2.483 1.00 61.44 H new ATOM 0 HD1 TYR A 79 28.382 -14.565 -0.603 1.00 21.04 H new ATOM 0 HD2 TYR A 79 30.017 -16.726 2.686 1.00 42.41 H new ATOM 0 HE1 TYR A 79 27.347 -16.624 -1.444 1.00 3.45 H new ATOM 0 HE2 TYR A 79 28.985 -18.789 1.843 1.00 25.24 H new ATOM 0 HH TYR A 79 27.745 -19.729 0.277 1.00 2.43 H new ATOM 1253 N ASN A 80 29.004 -12.872 4.432 1.00 22.22 N ATOM 1254 CA ASN A 80 28.591 -13.073 5.817 1.00 75.15 C ATOM 1255 C ASN A 80 27.299 -12.315 6.113 1.00 4.11 C ATOM 1256 O ASN A 80 26.319 -12.897 6.581 1.00 31.12 O ATOM 1257 CB ASN A 80 29.695 -12.614 6.772 1.00 1.31 C ATOM 1258 CG ASN A 80 30.835 -13.610 6.858 1.00 62.24 C ATOM 1259 OD1 ASN A 80 31.505 -13.890 5.864 1.00 24.43 O ATOM 1260 ND2 ASN A 80 31.059 -14.151 8.050 1.00 32.30 N ATOM 0 H ASN A 80 29.815 -12.264 4.318 1.00 22.22 H new ATOM 0 HA ASN A 80 28.411 -14.138 5.967 1.00 75.15 H new ATOM 0 HB2 ASN A 80 30.082 -11.651 6.440 1.00 1.31 H new ATOM 0 HB3 ASN A 80 29.273 -12.462 7.765 1.00 1.31 H new ATOM 0 HD21 ASN A 80 31.812 -14.829 8.169 1.00 32.30 H new ATOM 0 HD22 ASN A 80 30.478 -13.889 8.846 1.00 32.30 H new ATOM 1267 N THR A 81 27.306 -11.015 5.838 1.00 63.33 N ATOM 1268 CA THR A 81 26.136 -10.178 6.076 1.00 2.11 C ATOM 1269 C THR A 81 24.959 -10.621 5.214 1.00 62.22 C ATOM 1270 O THR A 81 23.868 -10.881 5.724 1.00 42.00 O ATOM 1271 CB THR A 81 26.439 -8.696 5.789 1.00 73.12 C ATOM 1272 OG1 THR A 81 27.676 -8.320 6.403 1.00 62.40 O ATOM 1273 CG2 THR A 81 25.319 -7.805 6.305 1.00 65.21 C ATOM 0 H THR A 81 28.108 -10.519 5.450 1.00 63.33 H new ATOM 0 HA THR A 81 25.875 -10.291 7.128 1.00 2.11 H new ATOM 0 HB THR A 81 26.517 -8.567 4.709 1.00 73.12 H new ATOM 0 HG1 THR A 81 28.423 -8.675 5.877 1.00 62.40 H new ATOM 0 HG21 THR A 81 25.555 -6.763 6.091 1.00 65.21 H new ATOM 0 HG22 THR A 81 24.384 -8.074 5.813 1.00 65.21 H new ATOM 0 HG23 THR A 81 25.214 -7.939 7.382 1.00 65.21 H new ATOM 1281 N ILE A 82 25.186 -10.706 3.908 1.00 20.43 N ATOM 1282 CA ILE A 82 24.144 -11.120 2.977 1.00 71.52 C ATOM 1283 C ILE A 82 23.499 -12.428 3.420 1.00 60.13 C ATOM 1284 O ILE A 82 22.321 -12.669 3.160 1.00 40.20 O ATOM 1285 CB ILE A 82 24.699 -11.291 1.551 1.00 31.33 C ATOM 1286 CG1 ILE A 82 25.324 -9.982 1.062 1.00 12.11 C ATOM 1287 CG2 ILE A 82 23.598 -11.744 0.605 1.00 14.42 C ATOM 1288 CD1 ILE A 82 26.275 -10.164 -0.100 1.00 73.03 C ATOM 0 H ILE A 82 26.083 -10.494 3.470 1.00 20.43 H new ATOM 0 HA ILE A 82 23.392 -10.331 2.973 1.00 71.52 H new ATOM 0 HB ILE A 82 25.474 -12.057 1.569 1.00 31.33 H new ATOM 0 HG12 ILE A 82 24.529 -9.297 0.767 1.00 12.11 H new ATOM 0 HG13 ILE A 82 25.858 -9.513 1.888 1.00 12.11 H new ATOM 0 HG21 ILE A 82 24.006 -11.860 -0.399 1.00 14.42 H new ATOM 0 HG22 ILE A 82 23.195 -12.698 0.946 1.00 14.42 H new ATOM 0 HG23 ILE A 82 22.803 -10.999 0.589 1.00 14.42 H new ATOM 0 HD11 ILE A 82 26.680 -9.196 -0.394 1.00 73.03 H new ATOM 0 HD12 ILE A 82 27.091 -10.823 0.197 1.00 73.03 H new ATOM 0 HD13 ILE A 82 25.741 -10.604 -0.942 1.00 73.03 H new ATOM 1300 N ALA A 83 24.279 -13.268 4.093 1.00 52.51 N ATOM 1301 CA ALA A 83 23.782 -14.551 4.575 1.00 72.43 C ATOM 1302 C ALA A 83 22.751 -14.359 5.683 1.00 34.21 C ATOM 1303 O ALA A 83 21.599 -14.770 5.549 1.00 62.43 O ATOM 1304 CB ALA A 83 24.936 -15.410 5.069 1.00 2.41 C ATOM 0 H ALA A 83 25.257 -13.083 4.317 1.00 52.51 H new ATOM 0 HA ALA A 83 23.293 -15.060 3.744 1.00 72.43 H new ATOM 0 HB1 ALA A 83 24.552 -16.365 5.426 1.00 2.41 H new ATOM 0 HB2 ALA A 83 25.636 -15.583 4.252 1.00 2.41 H new ATOM 0 HB3 ALA A 83 25.448 -14.898 5.883 1.00 2.41 H new ATOM 1310 N VAL A 84 23.174 -13.730 6.775 1.00 41.34 N ATOM 1311 CA VAL A 84 22.286 -13.484 7.906 1.00 54.14 C ATOM 1312 C VAL A 84 21.008 -12.783 7.459 1.00 51.54 C ATOM 1313 O VAL A 84 19.922 -13.062 7.970 1.00 31.21 O ATOM 1314 CB VAL A 84 22.976 -12.627 8.984 1.00 5.15 C ATOM 1315 CG1 VAL A 84 22.026 -12.356 10.140 1.00 3.13 C ATOM 1316 CG2 VAL A 84 24.244 -13.311 9.475 1.00 70.00 C ATOM 0 H VAL A 84 24.124 -13.382 6.901 1.00 41.34 H new ATOM 0 HA VAL A 84 22.035 -14.457 8.329 1.00 54.14 H new ATOM 0 HB VAL A 84 23.253 -11.670 8.541 1.00 5.15 H new ATOM 0 HG11 VAL A 84 22.531 -11.749 10.892 1.00 3.13 H new ATOM 0 HG12 VAL A 84 21.149 -11.823 9.773 1.00 3.13 H new ATOM 0 HG13 VAL A 84 21.716 -13.301 10.585 1.00 3.13 H new ATOM 0 HG21 VAL A 84 24.720 -12.693 10.236 1.00 70.00 H new ATOM 0 HG22 VAL A 84 23.992 -14.282 9.902 1.00 70.00 H new ATOM 0 HG23 VAL A 84 24.930 -13.449 8.639 1.00 70.00 H new ATOM 1326 N LEU A 85 21.143 -11.872 6.501 1.00 1.41 N ATOM 1327 CA LEU A 85 19.998 -11.132 5.983 1.00 61.20 C ATOM 1328 C LEU A 85 19.124 -12.023 5.107 1.00 74.33 C ATOM 1329 O LEU A 85 17.907 -12.088 5.289 1.00 3.35 O ATOM 1330 CB LEU A 85 20.472 -9.917 5.182 1.00 54.24 C ATOM 1331 CG LEU A 85 19.478 -8.761 5.066 1.00 62.31 C ATOM 1332 CD1 LEU A 85 19.853 -7.637 6.021 1.00 1.32 C ATOM 1333 CD2 LEU A 85 19.420 -8.248 3.635 1.00 14.41 C ATOM 0 H LEU A 85 22.034 -11.628 6.068 1.00 1.41 H new ATOM 0 HA LEU A 85 19.403 -10.792 6.830 1.00 61.20 H new ATOM 0 HB2 LEU A 85 21.386 -9.539 5.640 1.00 54.24 H new ATOM 0 HB3 LEU A 85 20.732 -10.248 4.177 1.00 54.24 H new ATOM 0 HG LEU A 85 18.489 -9.129 5.339 1.00 62.31 H new ATOM 0 HD11 LEU A 85 19.135 -6.823 5.925 1.00 1.32 H new ATOM 0 HD12 LEU A 85 19.843 -8.011 7.045 1.00 1.32 H new ATOM 0 HD13 LEU A 85 20.851 -7.271 5.778 1.00 1.32 H new ATOM 0 HD21 LEU A 85 18.707 -7.426 3.572 1.00 14.41 H new ATOM 0 HD22 LEU A 85 20.407 -7.897 3.334 1.00 14.41 H new ATOM 0 HD23 LEU A 85 19.104 -9.054 2.972 1.00 14.41 H new ATOM 1345 N TYR A 86 19.750 -12.709 4.158 1.00 34.41 N ATOM 1346 CA TYR A 86 19.029 -13.596 3.254 1.00 12.24 C ATOM 1347 C TYR A 86 18.198 -14.611 4.034 1.00 55.52 C ATOM 1348 O TYR A 86 17.013 -14.801 3.758 1.00 40.04 O ATOM 1349 CB TYR A 86 20.009 -14.324 2.331 1.00 43.24 C ATOM 1350 CG TYR A 86 19.364 -15.410 1.499 1.00 11.21 C ATOM 1351 CD1 TYR A 86 18.656 -15.099 0.345 1.00 52.12 C ATOM 1352 CD2 TYR A 86 19.464 -16.746 1.866 1.00 21.35 C ATOM 1353 CE1 TYR A 86 18.065 -16.087 -0.418 1.00 12.41 C ATOM 1354 CE2 TYR A 86 18.878 -17.741 1.109 1.00 12.22 C ATOM 1355 CZ TYR A 86 18.179 -17.406 -0.032 1.00 3.54 C ATOM 1356 OH TYR A 86 17.593 -18.395 -0.791 1.00 71.41 O ATOM 0 H TYR A 86 20.756 -12.668 3.995 1.00 34.41 H new ATOM 0 HA TYR A 86 18.355 -12.988 2.651 1.00 12.24 H new ATOM 0 HB2 TYR A 86 20.477 -13.598 1.666 1.00 43.24 H new ATOM 0 HB3 TYR A 86 20.804 -14.763 2.933 1.00 43.24 H new ATOM 0 HD1 TYR A 86 18.566 -14.067 0.039 1.00 52.12 H new ATOM 0 HD2 TYR A 86 20.010 -17.011 2.759 1.00 21.35 H new ATOM 0 HE1 TYR A 86 17.517 -15.828 -1.312 1.00 12.41 H new ATOM 0 HE2 TYR A 86 18.966 -18.775 1.408 1.00 12.22 H new ATOM 0 HH TYR A 86 17.309 -19.130 -0.208 1.00 71.41 H new ATOM 1366 N CYS A 87 18.828 -15.258 5.007 1.00 53.40 N ATOM 1367 CA CYS A 87 18.148 -16.254 5.828 1.00 71.41 C ATOM 1368 C CYS A 87 16.860 -15.686 6.415 1.00 40.21 C ATOM 1369 O CYS A 87 15.843 -16.375 6.490 1.00 0.13 O ATOM 1370 CB CYS A 87 19.068 -16.732 6.952 1.00 41.10 C ATOM 1371 SG CYS A 87 20.021 -18.214 6.545 1.00 30.40 S ATOM 0 H CYS A 87 19.808 -15.111 5.247 1.00 53.40 H new ATOM 0 HA CYS A 87 17.893 -17.102 5.192 1.00 71.41 H new ATOM 0 HB2 CYS A 87 19.758 -15.928 7.209 1.00 41.10 H new ATOM 0 HB3 CYS A 87 18.467 -16.932 7.839 1.00 41.10 H new ATOM 0 HG CYS A 87 20.069 -18.997 7.581 1.00 30.40 H new ATOM 1377 N VAL A 88 16.912 -14.425 6.833 1.00 62.42 N ATOM 1378 CA VAL A 88 15.749 -13.765 7.415 1.00 32.34 C ATOM 1379 C VAL A 88 14.612 -13.665 6.407 1.00 55.41 C ATOM 1380 O VAL A 88 13.441 -13.819 6.756 1.00 64.31 O ATOM 1381 CB VAL A 88 16.101 -12.351 7.917 1.00 64.11 C ATOM 1382 CG1 VAL A 88 14.880 -11.685 8.532 1.00 71.24 C ATOM 1383 CG2 VAL A 88 17.246 -12.410 8.916 1.00 22.42 C ATOM 0 H VAL A 88 17.746 -13.841 6.780 1.00 62.42 H new ATOM 0 HA VAL A 88 15.428 -14.375 8.260 1.00 32.34 H new ATOM 0 HB VAL A 88 16.423 -11.751 7.066 1.00 64.11 H new ATOM 0 HG11 VAL A 88 15.147 -10.687 8.881 1.00 71.24 H new ATOM 0 HG12 VAL A 88 14.091 -11.609 7.783 1.00 71.24 H new ATOM 0 HG13 VAL A 88 14.525 -12.281 9.373 1.00 71.24 H new ATOM 0 HG21 VAL A 88 17.481 -11.403 9.260 1.00 22.42 H new ATOM 0 HG22 VAL A 88 16.955 -13.025 9.767 1.00 22.42 H new ATOM 0 HG23 VAL A 88 18.124 -12.844 8.438 1.00 22.42 H new ATOM 1393 N HIS A 89 14.962 -13.408 5.150 1.00 42.30 N ATOM 1394 CA HIS A 89 13.970 -13.289 4.087 1.00 62.13 C ATOM 1395 C HIS A 89 13.408 -14.659 3.714 1.00 62.21 C ATOM 1396 O HIS A 89 12.295 -14.689 3.190 1.00 34.22 O ATOM 1397 CB HIS A 89 14.586 -12.627 2.855 1.00 72.41 C ATOM 1398 CG HIS A 89 14.932 -11.183 3.062 1.00 64.31 C ATOM 1399 ND1 HIS A 89 14.374 -10.411 4.059 1.00 22.22 N ATOM 1400 CD2 HIS A 89 15.784 -10.372 2.393 1.00 73.10 C ATOM 1401 CE1 HIS A 89 14.868 -9.188 3.995 1.00 10.32 C ATOM 1402 NE2 HIS A 89 15.727 -9.138 2.991 1.00 63.24 N ATOM 0 H HIS A 89 15.926 -13.278 4.843 1.00 42.30 H new ATOM 0 HA HIS A 89 13.154 -12.666 4.454 1.00 62.13 H new ATOM 0 HB2 HIS A 89 15.487 -13.171 2.572 1.00 72.41 H new ATOM 0 HB3 HIS A 89 13.889 -12.709 2.021 1.00 72.41 H new ATOM 0 HD2 HIS A 89 16.395 -10.645 1.546 1.00 73.10 H new ATOM 0 HE1 HIS A 89 14.614 -8.368 4.651 1.00 10.32 H new ATOM 0 HE2 HIS A 89 16.260 -8.316 2.707 1.00 63.24 H new ATOM 1411 N GLN A 90 14.122 -15.752 3.961 1.00 62.31 N ATOM 1412 CA GLN A 90 13.627 -17.081 3.622 1.00 34.14 C ATOM 1413 C GLN A 90 12.962 -17.738 4.826 1.00 64.33 C ATOM 1414 O GLN A 90 12.907 -18.964 4.925 1.00 64.03 O ATOM 1415 CB GLN A 90 14.771 -17.960 3.114 1.00 52.54 C ATOM 1416 CG GLN A 90 15.102 -17.740 1.646 1.00 52.03 C ATOM 1417 CD GLN A 90 14.943 -18.999 0.817 1.00 35.34 C ATOM 1418 OE1 GLN A 90 15.757 -19.920 0.903 1.00 70.44 O ATOM 1419 NE2 GLN A 90 13.891 -19.047 0.008 1.00 43.31 N ATOM 0 H GLN A 90 15.045 -15.744 4.395 1.00 62.31 H new ATOM 0 HA GLN A 90 12.883 -16.973 2.833 1.00 34.14 H new ATOM 0 HB2 GLN A 90 15.661 -17.765 3.712 1.00 52.54 H new ATOM 0 HB3 GLN A 90 14.509 -19.007 3.266 1.00 52.54 H new ATOM 0 HG2 GLN A 90 14.454 -16.961 1.244 1.00 52.03 H new ATOM 0 HG3 GLN A 90 16.127 -17.379 1.559 1.00 52.03 H new ATOM 0 HE21 GLN A 90 13.242 -18.261 -0.032 1.00 43.31 H new ATOM 0 HE22 GLN A 90 13.732 -19.870 -0.574 1.00 43.31 H new ATOM 1428 N ARG A 91 12.457 -16.914 5.740 1.00 43.52 N ATOM 1429 CA ARG A 91 11.796 -17.416 6.939 1.00 14.32 C ATOM 1430 C ARG A 91 12.719 -18.348 7.718 1.00 63.31 C ATOM 1431 O ARG A 91 12.258 -19.226 8.448 1.00 1.35 O ATOM 1432 CB ARG A 91 10.507 -18.152 6.566 1.00 20.41 C ATOM 1433 CG ARG A 91 9.320 -17.780 7.439 1.00 60.44 C ATOM 1434 CD ARG A 91 8.239 -18.847 7.394 1.00 50.44 C ATOM 1435 NE ARG A 91 8.248 -19.687 8.588 1.00 3.43 N ATOM 1436 CZ ARG A 91 7.826 -19.278 9.778 1.00 62.21 C ATOM 1437 NH1 ARG A 91 7.361 -18.045 9.933 1.00 12.12 N ATOM 1438 NH2 ARG A 91 7.866 -20.101 10.818 1.00 32.24 N ATOM 0 H ARG A 91 12.493 -15.897 5.673 1.00 43.52 H new ATOM 0 HA ARG A 91 11.550 -16.564 7.572 1.00 14.32 H new ATOM 0 HB2 ARG A 91 10.264 -17.937 5.525 1.00 20.41 H new ATOM 0 HB3 ARG A 91 10.678 -19.226 6.638 1.00 20.41 H new ATOM 0 HG2 ARG A 91 9.653 -17.641 8.468 1.00 60.44 H new ATOM 0 HG3 ARG A 91 8.907 -16.828 7.106 1.00 60.44 H new ATOM 0 HD2 ARG A 91 7.264 -18.371 7.293 1.00 50.44 H new ATOM 0 HD3 ARG A 91 8.382 -19.470 6.511 1.00 50.44 H new ATOM 0 HE ARG A 91 8.598 -20.641 8.503 1.00 3.43 H new ATOM 0 HH11 ARG A 91 7.327 -17.409 9.136 1.00 12.12 H new ATOM 0 HH12 ARG A 91 7.037 -17.733 10.849 1.00 12.12 H new ATOM 0 HH21 ARG A 91 8.222 -21.050 10.704 1.00 32.24 H new ATOM 0 HH22 ARG A 91 7.541 -19.784 11.732 1.00 32.24 H new ATOM 1452 N ILE A 92 14.023 -18.150 7.560 1.00 75.10 N ATOM 1453 CA ILE A 92 15.010 -18.971 8.249 1.00 62.01 C ATOM 1454 C ILE A 92 15.483 -18.300 9.534 1.00 65.22 C ATOM 1455 O ILE A 92 15.874 -17.133 9.530 1.00 71.35 O ATOM 1456 CB ILE A 92 16.231 -19.256 7.354 1.00 53.12 C ATOM 1457 CG1 ILE A 92 15.777 -19.744 5.976 1.00 75.41 C ATOM 1458 CG2 ILE A 92 17.142 -20.280 8.011 1.00 1.31 C ATOM 1459 CD1 ILE A 92 16.919 -19.995 5.018 1.00 13.43 C ATOM 0 H ILE A 92 14.421 -17.427 6.960 1.00 75.10 H new ATOM 0 HA ILE A 92 14.520 -19.914 8.492 1.00 62.01 H new ATOM 0 HB ILE A 92 16.792 -18.331 7.224 1.00 53.12 H new ATOM 0 HG12 ILE A 92 15.205 -20.664 6.096 1.00 75.41 H new ATOM 0 HG13 ILE A 92 15.104 -19.005 5.541 1.00 75.41 H new ATOM 0 HG21 ILE A 92 18.000 -20.471 7.366 1.00 1.31 H new ATOM 0 HG22 ILE A 92 17.488 -19.897 8.971 1.00 1.31 H new ATOM 0 HG23 ILE A 92 16.593 -21.208 8.168 1.00 1.31 H new ATOM 0 HD11 ILE A 92 16.523 -20.338 4.062 1.00 13.43 H new ATOM 0 HD12 ILE A 92 17.478 -19.071 4.868 1.00 13.43 H new ATOM 0 HD13 ILE A 92 17.580 -20.756 5.432 1.00 13.43 H new ATOM 1471 N ASP A 93 15.446 -19.046 10.633 1.00 43.54 N ATOM 1472 CA ASP A 93 15.873 -18.525 11.926 1.00 61.43 C ATOM 1473 C ASP A 93 17.242 -19.076 12.309 1.00 0.22 C ATOM 1474 O ASP A 93 17.388 -20.266 12.589 1.00 23.04 O ATOM 1475 CB ASP A 93 14.848 -18.876 13.005 1.00 42.51 C ATOM 1476 CG ASP A 93 14.354 -17.655 13.756 1.00 12.43 C ATOM 1477 OD1 ASP A 93 15.165 -16.736 13.991 1.00 1.32 O ATOM 1478 OD2 ASP A 93 13.157 -17.619 14.107 1.00 74.14 O ATOM 0 H ASP A 93 15.124 -20.014 10.654 1.00 43.54 H new ATOM 0 HA ASP A 93 15.948 -17.441 11.846 1.00 61.43 H new ATOM 0 HB2 ASP A 93 14.000 -19.383 12.545 1.00 42.51 H new ATOM 0 HB3 ASP A 93 15.294 -19.577 13.711 1.00 42.51 H new ATOM 1483 N VAL A 94 18.245 -18.204 12.317 1.00 33.34 N ATOM 1484 CA VAL A 94 19.603 -18.603 12.664 1.00 21.11 C ATOM 1485 C VAL A 94 20.043 -17.970 13.980 1.00 43.35 C ATOM 1486 O VAL A 94 19.317 -17.167 14.568 1.00 25.14 O ATOM 1487 CB VAL A 94 20.604 -18.211 11.560 1.00 65.11 C ATOM 1488 CG1 VAL A 94 20.375 -19.047 10.311 1.00 74.45 C ATOM 1489 CG2 VAL A 94 20.495 -16.727 11.246 1.00 24.51 C ATOM 0 H VAL A 94 18.142 -17.216 12.087 1.00 33.34 H new ATOM 0 HA VAL A 94 19.596 -19.688 12.769 1.00 21.11 H new ATOM 0 HB VAL A 94 21.613 -18.410 11.921 1.00 65.11 H new ATOM 0 HG11 VAL A 94 21.091 -18.756 9.542 1.00 74.45 H new ATOM 0 HG12 VAL A 94 20.508 -20.102 10.550 1.00 74.45 H new ATOM 0 HG13 VAL A 94 19.362 -18.883 9.944 1.00 74.45 H new ATOM 0 HG21 VAL A 94 21.209 -16.467 10.464 1.00 24.51 H new ATOM 0 HG22 VAL A 94 19.485 -16.501 10.905 1.00 24.51 H new ATOM 0 HG23 VAL A 94 20.713 -16.148 12.144 1.00 24.51 H new ATOM 1499 N LYS A 95 21.235 -18.336 14.438 1.00 41.10 N ATOM 1500 CA LYS A 95 21.773 -17.805 15.685 1.00 34.43 C ATOM 1501 C LYS A 95 23.031 -16.982 15.426 1.00 73.34 C ATOM 1502 O LYS A 95 23.349 -16.063 16.181 1.00 72.30 O ATOM 1503 CB LYS A 95 22.086 -18.944 16.656 1.00 24.43 C ATOM 1504 CG LYS A 95 21.383 -18.812 17.995 1.00 64.31 C ATOM 1505 CD LYS A 95 21.707 -19.979 18.913 1.00 64.20 C ATOM 1506 CE LYS A 95 20.670 -21.084 18.799 1.00 52.54 C ATOM 1507 NZ LYS A 95 19.881 -21.238 20.053 1.00 11.02 N ATOM 0 H LYS A 95 21.848 -18.999 13.964 1.00 41.10 H new ATOM 0 HA LYS A 95 21.019 -17.155 16.130 1.00 34.43 H new ATOM 0 HB2 LYS A 95 21.800 -19.890 16.197 1.00 24.43 H new ATOM 0 HB3 LYS A 95 23.163 -18.983 16.823 1.00 24.43 H new ATOM 0 HG2 LYS A 95 21.681 -17.879 18.473 1.00 64.31 H new ATOM 0 HG3 LYS A 95 20.306 -18.760 17.838 1.00 64.31 H new ATOM 0 HD2 LYS A 95 22.691 -20.376 18.665 1.00 64.20 H new ATOM 0 HD3 LYS A 95 21.755 -19.629 19.944 1.00 64.20 H new ATOM 0 HE2 LYS A 95 19.996 -20.865 17.971 1.00 52.54 H new ATOM 0 HE3 LYS A 95 21.167 -22.025 18.565 1.00 52.54 H new ATOM 0 HZ1 LYS A 95 19.185 -22.002 19.934 1.00 11.02 H new ATOM 0 HZ2 LYS A 95 20.521 -21.472 20.839 1.00 11.02 H new ATOM 0 HZ3 LYS A 95 19.386 -20.348 20.263 1.00 11.02 H new ATOM 1521 N ASP A 96 23.742 -17.317 14.356 1.00 11.11 N ATOM 1522 CA ASP A 96 24.965 -16.608 13.996 1.00 61.42 C ATOM 1523 C ASP A 96 25.157 -16.589 12.483 1.00 33.41 C ATOM 1524 O ASP A 96 24.382 -17.192 11.740 1.00 32.25 O ATOM 1525 CB ASP A 96 26.174 -17.258 14.669 1.00 52.44 C ATOM 1526 CG ASP A 96 26.181 -18.767 14.514 1.00 65.25 C ATOM 1527 OD1 ASP A 96 25.530 -19.449 15.334 1.00 12.50 O ATOM 1528 OD2 ASP A 96 26.836 -19.264 13.576 1.00 52.31 O ATOM 0 H ASP A 96 23.493 -18.076 13.722 1.00 11.11 H new ATOM 0 HA ASP A 96 24.875 -15.579 14.345 1.00 61.42 H new ATOM 0 HB2 ASP A 96 27.089 -16.847 14.241 1.00 52.44 H new ATOM 0 HB3 ASP A 96 26.176 -17.004 15.729 1.00 52.44 H new ATOM 1533 N THR A 97 26.196 -15.892 12.032 1.00 30.30 N ATOM 1534 CA THR A 97 26.489 -15.792 10.608 1.00 31.01 C ATOM 1535 C THR A 97 26.939 -17.136 10.045 1.00 75.32 C ATOM 1536 O THR A 97 26.756 -17.416 8.859 1.00 24.01 O ATOM 1537 CB THR A 97 27.580 -14.741 10.332 1.00 34.34 C ATOM 1538 OG1 THR A 97 27.211 -13.487 10.915 1.00 21.30 O ATOM 1539 CG2 THR A 97 27.798 -14.567 8.836 1.00 41.03 C ATOM 0 H THR A 97 26.848 -15.389 12.633 1.00 30.30 H new ATOM 0 HA THR A 97 25.567 -15.485 10.115 1.00 31.01 H new ATOM 0 HB THR A 97 28.511 -15.089 10.780 1.00 34.34 H new ATOM 0 HG1 THR A 97 27.048 -12.831 10.205 1.00 21.30 H new ATOM 0 HG21 THR A 97 28.573 -13.820 8.666 1.00 41.03 H new ATOM 0 HG22 THR A 97 28.108 -15.517 8.401 1.00 41.03 H new ATOM 0 HG23 THR A 97 26.869 -14.240 8.369 1.00 41.03 H new ATOM 1547 N LYS A 98 27.528 -17.964 10.900 1.00 30.30 N ATOM 1548 CA LYS A 98 28.003 -19.279 10.489 1.00 4.42 C ATOM 1549 C LYS A 98 26.833 -20.198 10.152 1.00 5.24 C ATOM 1550 O LYS A 98 26.761 -20.747 9.053 1.00 62.23 O ATOM 1551 CB LYS A 98 28.856 -19.906 11.595 1.00 72.33 C ATOM 1552 CG LYS A 98 30.083 -20.634 11.077 1.00 22.24 C ATOM 1553 CD LYS A 98 31.360 -19.875 11.401 1.00 5.31 C ATOM 1554 CE LYS A 98 32.549 -20.432 10.633 1.00 33.02 C ATOM 1555 NZ LYS A 98 33.694 -20.743 11.531 1.00 64.52 N ATOM 0 H LYS A 98 27.688 -17.747 11.884 1.00 30.30 H new ATOM 0 HA LYS A 98 28.614 -19.154 9.595 1.00 4.42 H new ATOM 0 HB2 LYS A 98 29.172 -19.124 12.286 1.00 72.33 H new ATOM 0 HB3 LYS A 98 28.242 -20.605 12.164 1.00 72.33 H new ATOM 0 HG2 LYS A 98 30.129 -21.630 11.517 1.00 22.24 H new ATOM 0 HG3 LYS A 98 30.001 -20.766 9.998 1.00 22.24 H new ATOM 0 HD2 LYS A 98 31.230 -18.821 11.157 1.00 5.31 H new ATOM 0 HD3 LYS A 98 31.557 -19.933 12.471 1.00 5.31 H new ATOM 0 HE2 LYS A 98 32.248 -21.336 10.103 1.00 33.02 H new ATOM 0 HE3 LYS A 98 32.864 -19.711 9.879 1.00 33.02 H new ATOM 0 HZ1 LYS A 98 34.484 -21.120 10.969 1.00 64.52 H new ATOM 0 HZ2 LYS A 98 33.999 -19.876 12.018 1.00 64.52 H new ATOM 0 HZ3 LYS A 98 33.401 -21.451 12.235 1.00 64.52 H new ATOM 1569 N GLU A 99 25.920 -20.361 11.105 1.00 10.32 N ATOM 1570 CA GLU A 99 24.754 -21.213 10.907 1.00 42.10 C ATOM 1571 C GLU A 99 24.009 -20.829 9.633 1.00 75.32 C ATOM 1572 O GLU A 99 23.609 -21.691 8.850 1.00 61.50 O ATOM 1573 CB GLU A 99 23.813 -21.116 12.110 1.00 2.25 C ATOM 1574 CG GLU A 99 23.957 -22.270 13.089 1.00 21.15 C ATOM 1575 CD GLU A 99 22.925 -23.357 12.864 1.00 44.41 C ATOM 1576 OE1 GLU A 99 22.864 -23.892 11.737 1.00 71.20 O ATOM 1577 OE2 GLU A 99 22.179 -23.675 13.815 1.00 35.34 O ATOM 0 H GLU A 99 25.966 -19.914 12.021 1.00 10.32 H new ATOM 0 HA GLU A 99 25.101 -22.242 10.808 1.00 42.10 H new ATOM 0 HB2 GLU A 99 24.003 -20.180 12.635 1.00 2.25 H new ATOM 0 HB3 GLU A 99 22.784 -21.079 11.754 1.00 2.25 H new ATOM 0 HG2 GLU A 99 24.955 -22.697 12.997 1.00 21.15 H new ATOM 0 HG3 GLU A 99 23.865 -21.892 14.107 1.00 21.15 H new ATOM 1584 N ALA A 100 23.824 -19.528 9.432 1.00 34.14 N ATOM 1585 CA ALA A 100 23.128 -19.028 8.252 1.00 24.23 C ATOM 1586 C ALA A 100 23.794 -19.521 6.972 1.00 52.11 C ATOM 1587 O ALA A 100 23.117 -19.887 6.009 1.00 24.41 O ATOM 1588 CB ALA A 100 23.081 -17.507 8.272 1.00 63.13 C ATOM 0 H ALA A 100 24.146 -18.801 10.071 1.00 34.14 H new ATOM 0 HA ALA A 100 22.108 -19.413 8.272 1.00 24.23 H new ATOM 0 HB1 ALA A 100 22.559 -17.147 7.385 1.00 63.13 H new ATOM 0 HB2 ALA A 100 22.554 -17.171 9.165 1.00 63.13 H new ATOM 0 HB3 ALA A 100 24.097 -17.112 8.280 1.00 63.13 H new ATOM 1594 N LEU A 101 25.122 -19.529 6.967 1.00 12.22 N ATOM 1595 CA LEU A 101 25.879 -19.978 5.803 1.00 34.53 C ATOM 1596 C LEU A 101 25.699 -21.475 5.579 1.00 42.33 C ATOM 1597 O LEU A 101 25.706 -21.949 4.444 1.00 35.25 O ATOM 1598 CB LEU A 101 27.364 -19.652 5.980 1.00 71.13 C ATOM 1599 CG LEU A 101 27.740 -18.172 5.902 1.00 22.25 C ATOM 1600 CD1 LEU A 101 29.017 -17.904 6.684 1.00 1.23 C ATOM 1601 CD2 LEU A 101 27.899 -17.736 4.453 1.00 40.01 C ATOM 0 H LEU A 101 25.697 -19.230 7.755 1.00 12.22 H new ATOM 0 HA LEU A 101 25.498 -19.451 4.928 1.00 34.53 H new ATOM 0 HB2 LEU A 101 27.687 -20.038 6.947 1.00 71.13 H new ATOM 0 HB3 LEU A 101 27.927 -20.190 5.217 1.00 71.13 H new ATOM 0 HG LEU A 101 26.935 -17.589 6.349 1.00 22.25 H new ATOM 0 HD11 LEU A 101 29.269 -16.846 6.617 1.00 1.23 H new ATOM 0 HD12 LEU A 101 28.868 -18.176 7.729 1.00 1.23 H new ATOM 0 HD13 LEU A 101 29.830 -18.498 6.267 1.00 1.23 H new ATOM 0 HD21 LEU A 101 28.167 -16.680 4.418 1.00 40.01 H new ATOM 0 HD22 LEU A 101 28.685 -18.325 3.980 1.00 40.01 H new ATOM 0 HD23 LEU A 101 26.960 -17.890 3.922 1.00 40.01 H new ATOM 1613 N ASP A 102 25.536 -22.215 6.670 1.00 60.12 N ATOM 1614 CA ASP A 102 25.349 -23.659 6.594 1.00 1.04 C ATOM 1615 C ASP A 102 23.980 -24.001 6.015 1.00 40.51 C ATOM 1616 O ASP A 102 23.818 -25.009 5.326 1.00 24.01 O ATOM 1617 CB ASP A 102 25.503 -24.289 7.979 1.00 60.35 C ATOM 1618 CG ASP A 102 25.479 -25.804 7.933 1.00 3.22 C ATOM 1619 OD1 ASP A 102 24.398 -26.373 7.671 1.00 31.43 O ATOM 1620 OD2 ASP A 102 26.541 -26.422 8.159 1.00 71.54 O ATOM 0 H ASP A 102 25.530 -21.838 7.618 1.00 60.12 H new ATOM 0 HA ASP A 102 26.114 -24.064 5.932 1.00 1.04 H new ATOM 0 HB2 ASP A 102 26.441 -23.957 8.423 1.00 60.35 H new ATOM 0 HB3 ASP A 102 24.701 -23.936 8.627 1.00 60.35 H new ATOM 1625 N LYS A 103 22.995 -23.155 6.299 1.00 31.53 N ATOM 1626 CA LYS A 103 21.639 -23.366 5.807 1.00 30.53 C ATOM 1627 C LYS A 103 21.577 -23.196 4.292 1.00 23.54 C ATOM 1628 O LYS A 103 20.986 -24.017 3.591 1.00 75.03 O ATOM 1629 CB LYS A 103 20.673 -22.388 6.480 1.00 42.32 C ATOM 1630 CG LYS A 103 20.055 -22.927 7.758 1.00 41.43 C ATOM 1631 CD LYS A 103 18.601 -23.318 7.552 1.00 62.15 C ATOM 1632 CE LYS A 103 18.478 -24.709 6.950 1.00 40.05 C ATOM 1633 NZ LYS A 103 18.959 -25.763 7.885 1.00 40.22 N ATOM 0 H LYS A 103 23.111 -22.316 6.868 1.00 31.53 H new ATOM 0 HA LYS A 103 21.345 -24.386 6.053 1.00 30.53 H new ATOM 0 HB2 LYS A 103 21.204 -21.463 6.705 1.00 42.32 H new ATOM 0 HB3 LYS A 103 19.877 -22.136 5.779 1.00 42.32 H new ATOM 0 HG2 LYS A 103 20.621 -23.794 8.100 1.00 41.43 H new ATOM 0 HG3 LYS A 103 20.122 -22.173 8.542 1.00 41.43 H new ATOM 0 HD2 LYS A 103 18.076 -23.286 8.507 1.00 62.15 H new ATOM 0 HD3 LYS A 103 18.117 -22.593 6.897 1.00 62.15 H new ATOM 0 HE2 LYS A 103 17.437 -24.902 6.690 1.00 40.05 H new ATOM 0 HE3 LYS A 103 19.051 -24.756 6.024 1.00 40.05 H new ATOM 0 HZ1 LYS A 103 18.522 -26.674 7.636 1.00 40.22 H new ATOM 0 HZ2 LYS A 103 19.993 -25.844 7.814 1.00 40.22 H new ATOM 0 HZ3 LYS A 103 18.698 -25.509 8.859 1.00 40.22 H new ATOM 1647 N ILE A 104 22.192 -22.129 3.795 1.00 20.24 N ATOM 1648 CA ILE A 104 22.209 -21.855 2.364 1.00 32.25 C ATOM 1649 C ILE A 104 23.036 -22.894 1.614 1.00 10.00 C ATOM 1650 O ILE A 104 22.779 -23.180 0.445 1.00 42.23 O ATOM 1651 CB ILE A 104 22.775 -20.453 2.066 1.00 53.53 C ATOM 1652 CG1 ILE A 104 21.982 -19.387 2.823 1.00 62.22 C ATOM 1653 CG2 ILE A 104 22.746 -20.178 0.570 1.00 55.32 C ATOM 1654 CD1 ILE A 104 22.551 -17.993 2.681 1.00 14.34 C ATOM 0 H ILE A 104 22.685 -21.440 4.362 1.00 20.24 H new ATOM 0 HA ILE A 104 21.175 -21.902 2.022 1.00 32.25 H new ATOM 0 HB ILE A 104 23.811 -20.416 2.404 1.00 53.53 H new ATOM 0 HG12 ILE A 104 20.953 -19.388 2.464 1.00 62.22 H new ATOM 0 HG13 ILE A 104 21.951 -19.652 3.880 1.00 62.22 H new ATOM 0 HG21 ILE A 104 23.149 -19.184 0.375 1.00 55.32 H new ATOM 0 HG22 ILE A 104 23.350 -20.923 0.051 1.00 55.32 H new ATOM 0 HG23 ILE A 104 21.718 -20.230 0.210 1.00 55.32 H new ATOM 0 HD11 ILE A 104 21.937 -17.290 3.244 1.00 14.34 H new ATOM 0 HD12 ILE A 104 23.570 -17.975 3.067 1.00 14.34 H new ATOM 0 HD13 ILE A 104 22.557 -17.708 1.629 1.00 14.34 H new