USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 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 Single : A 1 GLY N :NH3+ -125:sc= -0.276 (180deg=-1.89!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.16 K(o=-2.2,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= 0.0945 K(o=0.094,f=-0.82) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.23) USER MOD Single : A 22 SER OG : rot 94:sc= 0.123 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 60:sc= -1.29 USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.13 (180deg=-0.793) USER MOD Single : A 33 TYR OH : rot 139:sc= 1.35 USER MOD Single : A 34 ASN : amide:sc= -1.93 X(o=-1.9,f=-2.1) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0.00136 (180deg=0.00126) USER MOD Single : A 46 TYR OH : rot -165:sc= -0.964 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.311 (180deg=-0.312) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 9:sc= 0.0201 USER MOD Single : A 52 THR OG1 : rot -145:sc= -0.516 USER MOD Single : A 53 THR OG1 : rot 33:sc= 1.01 USER MOD Single : A 54 SER OG : rot 180:sc= -0.636 USER MOD Single : A 57 SER OG : rot 63:sc= 0.261 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -84:sc= -0.767 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.771 6.171 -3.984 1.00 23.13 N ATOM 2 CA GLY A 1 30.694 7.144 -3.949 1.00 61.41 C ATOM 3 C GLY A 1 29.326 6.498 -4.023 1.00 53.22 C ATOM 4 O GLY A 1 28.597 6.649 -5.003 1.00 11.40 O ATOM 0 H1 GLY A 1 32.386 6.304 -3.156 1.00 23.13 H new ATOM 0 H2 GLY A 1 31.372 5.211 -3.969 1.00 23.13 H new ATOM 0 H3 GLY A 1 32.328 6.301 -4.853 1.00 23.13 H new ATOM 0 HA2 GLY A 1 30.767 7.729 -3.032 1.00 61.41 H new ATOM 0 HA3 GLY A 1 30.809 7.839 -4.781 1.00 61.41 H new ATOM 8 N PRO A 2 28.959 5.757 -2.967 1.00 52.23 N ATOM 9 CA PRO A 2 27.667 5.069 -2.893 1.00 41.23 C ATOM 10 C PRO A 2 26.501 6.040 -2.740 1.00 71.30 C ATOM 11 O PRO A 2 26.655 7.127 -2.183 1.00 20.44 O ATOM 12 CB PRO A 2 27.801 4.194 -1.643 1.00 53.25 C ATOM 13 CG PRO A 2 28.818 4.887 -0.803 1.00 40.13 C ATOM 14 CD PRO A 2 29.778 5.533 -1.763 1.00 53.40 C ATOM 0 HA PRO A 2 27.452 4.507 -3.802 1.00 41.23 H new ATOM 0 HB2 PRO A 2 26.850 4.104 -1.119 1.00 53.25 H new ATOM 0 HB3 PRO A 2 28.121 3.184 -1.899 1.00 53.25 H new ATOM 0 HG2 PRO A 2 28.350 5.631 -0.159 1.00 40.13 H new ATOM 0 HG3 PRO A 2 29.333 4.181 -0.152 1.00 40.13 H new ATOM 0 HD2 PRO A 2 30.174 6.468 -1.367 1.00 53.40 H new ATOM 0 HD3 PRO A 2 30.632 4.888 -1.972 1.00 53.40 H new ATOM 22 N SER A 3 25.335 5.641 -3.236 1.00 54.35 N ATOM 23 CA SER A 3 24.144 6.478 -3.158 1.00 10.32 C ATOM 24 C SER A 3 23.165 5.934 -2.121 1.00 24.01 C ATOM 25 O SER A 3 23.159 4.740 -1.822 1.00 0.15 O ATOM 26 CB SER A 3 23.461 6.562 -4.524 1.00 74.24 C ATOM 27 OG SER A 3 22.446 5.581 -4.650 1.00 22.55 O ATOM 0 H SER A 3 25.189 4.743 -3.697 1.00 54.35 H new ATOM 0 HA SER A 3 24.453 7.478 -2.853 1.00 10.32 H new ATOM 0 HB2 SER A 3 23.030 7.554 -4.658 1.00 74.24 H new ATOM 0 HB3 SER A 3 24.201 6.427 -5.313 1.00 74.24 H new ATOM 0 HG SER A 3 22.025 5.658 -5.531 1.00 22.55 H new ATOM 33 N THR A 4 22.338 6.821 -1.574 1.00 54.34 N ATOM 34 CA THR A 4 21.356 6.431 -0.571 1.00 42.21 C ATOM 35 C THR A 4 19.979 6.994 -0.903 1.00 4.12 C ATOM 36 O THR A 4 18.978 6.277 -0.862 1.00 41.04 O ATOM 37 CB THR A 4 21.769 6.910 0.834 1.00 51.05 C ATOM 38 OG1 THR A 4 22.718 7.977 0.728 1.00 23.12 O ATOM 39 CG2 THR A 4 22.370 5.768 1.640 1.00 54.11 C ATOM 0 H THR A 4 22.330 7.813 -1.809 1.00 54.34 H new ATOM 0 HA THR A 4 21.312 5.342 -0.577 1.00 42.21 H new ATOM 0 HB THR A 4 20.877 7.267 1.349 1.00 51.05 H new ATOM 0 HG1 THR A 4 22.974 8.277 1.625 1.00 23.12 H new ATOM 0 HG21 THR A 4 22.654 6.130 2.628 1.00 54.11 H new ATOM 0 HG22 THR A 4 21.635 4.970 1.743 1.00 54.11 H new ATOM 0 HG23 THR A 4 23.252 5.385 1.127 1.00 54.11 H new ATOM 47 N SER A 5 19.934 8.281 -1.230 1.00 41.42 N ATOM 48 CA SER A 5 18.678 8.941 -1.566 1.00 3.34 C ATOM 49 C SER A 5 18.874 9.937 -2.706 1.00 21.43 C ATOM 50 O SER A 5 19.995 10.165 -3.157 1.00 63.14 O ATOM 51 CB SER A 5 18.109 9.659 -0.340 1.00 70.54 C ATOM 52 OG SER A 5 18.752 9.225 0.847 1.00 42.11 O ATOM 0 H SER A 5 20.753 8.888 -1.269 1.00 41.42 H new ATOM 0 HA SER A 5 17.972 8.177 -1.891 1.00 3.34 H new ATOM 0 HB2 SER A 5 18.235 10.736 -0.453 1.00 70.54 H new ATOM 0 HB3 SER A 5 17.038 9.470 -0.268 1.00 70.54 H new ATOM 0 HG SER A 5 18.373 9.699 1.616 1.00 42.11 H new ATOM 58 N MET A 6 17.775 10.525 -3.165 1.00 54.43 N ATOM 59 CA MET A 6 17.826 11.497 -4.252 1.00 52.21 C ATOM 60 C MET A 6 16.534 12.305 -4.319 1.00 22.15 C ATOM 61 O MET A 6 15.489 11.864 -3.840 1.00 75.03 O ATOM 62 CB MET A 6 18.068 10.789 -5.587 1.00 64.22 C ATOM 63 CG MET A 6 16.989 9.781 -5.945 1.00 0.54 C ATOM 64 SD MET A 6 17.649 8.320 -6.769 1.00 10.34 S ATOM 65 CE MET A 6 17.335 7.063 -5.530 1.00 51.35 C ATOM 0 H MET A 6 16.839 10.346 -2.802 1.00 54.43 H new ATOM 0 HA MET A 6 18.652 12.181 -4.057 1.00 52.21 H new ATOM 0 HB2 MET A 6 18.133 11.536 -6.378 1.00 64.22 H new ATOM 0 HB3 MET A 6 19.031 10.280 -5.549 1.00 64.22 H new ATOM 0 HG2 MET A 6 16.466 9.477 -5.038 1.00 0.54 H new ATOM 0 HG3 MET A 6 16.253 10.257 -6.593 1.00 0.54 H new ATOM 0 HE1 MET A 6 17.689 6.098 -5.893 1.00 51.35 H new ATOM 0 HE2 MET A 6 17.860 7.320 -4.610 1.00 51.35 H new ATOM 0 HE3 MET A 6 16.265 7.006 -5.333 1.00 51.35 H new ATOM 75 N GLU A 7 16.613 13.491 -4.914 1.00 54.21 N ATOM 76 CA GLU A 7 15.450 14.360 -5.042 1.00 44.12 C ATOM 77 C GLU A 7 14.903 14.332 -6.466 1.00 3.02 C ATOM 78 O GLU A 7 14.305 15.301 -6.933 1.00 23.43 O ATOM 79 CB GLU A 7 15.813 15.795 -4.652 1.00 44.33 C ATOM 80 CG GLU A 7 16.329 15.927 -3.229 1.00 12.32 C ATOM 81 CD GLU A 7 16.066 17.298 -2.638 1.00 23.30 C ATOM 82 OE1 GLU A 7 16.355 18.303 -3.321 1.00 60.55 O ATOM 83 OE2 GLU A 7 15.572 17.367 -1.494 1.00 4.45 O ATOM 0 H GLU A 7 17.470 13.872 -5.315 1.00 54.21 H new ATOM 0 HA GLU A 7 14.677 13.991 -4.367 1.00 44.12 H new ATOM 0 HB2 GLU A 7 16.571 16.169 -5.340 1.00 44.33 H new ATOM 0 HB3 GLU A 7 14.934 16.428 -4.771 1.00 44.33 H new ATOM 0 HG2 GLU A 7 15.857 15.169 -2.604 1.00 12.32 H new ATOM 0 HG3 GLU A 7 17.401 15.729 -3.215 1.00 12.32 H new ATOM 90 N ASN A 8 15.111 13.213 -7.151 1.00 74.04 N ATOM 91 CA ASN A 8 14.640 13.057 -8.523 1.00 60.52 C ATOM 92 C ASN A 8 15.038 11.695 -9.084 1.00 3.13 C ATOM 93 O ASN A 8 16.200 11.462 -9.417 1.00 25.30 O ATOM 94 CB ASN A 8 15.207 14.170 -9.408 1.00 33.43 C ATOM 95 CG ASN A 8 15.031 13.879 -10.886 1.00 10.43 C ATOM 96 OD1 ASN A 8 15.698 13.007 -11.442 1.00 70.12 O ATOM 97 ND2 ASN A 8 14.128 14.610 -11.529 1.00 41.24 N ATOM 0 H ASN A 8 15.603 12.400 -6.779 1.00 74.04 H new ATOM 0 HA ASN A 8 13.552 13.124 -8.517 1.00 60.52 H new ATOM 0 HB2 ASN A 8 14.714 15.111 -9.164 1.00 33.43 H new ATOM 0 HB3 ASN A 8 16.267 14.300 -9.190 1.00 33.43 H new ATOM 0 HD21 ASN A 8 13.965 14.459 -12.524 1.00 41.24 H new ATOM 0 HD22 ASN A 8 13.598 15.322 -11.027 1.00 41.24 H new ATOM 104 N LEU A 9 14.064 10.797 -9.186 1.00 21.14 N ATOM 105 CA LEU A 9 14.310 9.457 -9.706 1.00 30.33 C ATOM 106 C LEU A 9 14.262 9.448 -11.230 1.00 74.34 C ATOM 107 O LEU A 9 14.728 8.505 -11.871 1.00 43.51 O ATOM 108 CB LEU A 9 13.280 8.474 -9.147 1.00 33.12 C ATOM 109 CG LEU A 9 13.210 7.110 -9.836 1.00 22.53 C ATOM 110 CD1 LEU A 9 14.573 6.434 -9.819 1.00 2.23 C ATOM 111 CD2 LEU A 9 12.166 6.228 -9.167 1.00 52.52 C ATOM 0 H LEU A 9 13.096 10.973 -8.915 1.00 21.14 H new ATOM 0 HA LEU A 9 15.306 9.149 -9.390 1.00 30.33 H new ATOM 0 HB2 LEU A 9 13.496 8.314 -8.091 1.00 33.12 H new ATOM 0 HB3 LEU A 9 12.296 8.939 -9.204 1.00 33.12 H new ATOM 0 HG LEU A 9 12.916 7.262 -10.874 1.00 22.53 H new ATOM 0 HD11 LEU A 9 14.505 5.465 -10.313 1.00 2.23 H new ATOM 0 HD12 LEU A 9 15.296 7.059 -10.344 1.00 2.23 H new ATOM 0 HD13 LEU A 9 14.896 6.293 -8.788 1.00 2.23 H new ATOM 0 HD21 LEU A 9 12.130 5.262 -9.670 1.00 52.52 H new ATOM 0 HD22 LEU A 9 12.430 6.082 -8.120 1.00 52.52 H new ATOM 0 HD23 LEU A 9 11.189 6.707 -9.232 1.00 52.52 H new ATOM 123 N VAL A 10 13.700 10.506 -11.807 1.00 0.02 N ATOM 124 CA VAL A 10 13.596 10.622 -13.256 1.00 31.41 C ATOM 125 C VAL A 10 14.947 10.392 -13.925 1.00 23.43 C ATOM 126 O VAL A 10 15.017 9.919 -15.059 1.00 70.40 O ATOM 127 CB VAL A 10 13.058 12.004 -13.672 1.00 30.54 C ATOM 128 CG1 VAL A 10 12.845 12.064 -15.176 1.00 32.10 C ATOM 129 CG2 VAL A 10 11.768 12.319 -12.929 1.00 33.22 C ATOM 0 H VAL A 10 13.310 11.295 -11.292 1.00 0.02 H new ATOM 0 HA VAL A 10 12.896 9.854 -13.585 1.00 31.41 H new ATOM 0 HB VAL A 10 13.798 12.758 -13.404 1.00 30.54 H new ATOM 0 HG11 VAL A 10 12.465 13.048 -15.451 1.00 32.10 H new ATOM 0 HG12 VAL A 10 13.792 11.886 -15.685 1.00 32.10 H new ATOM 0 HG13 VAL A 10 12.125 11.301 -15.472 1.00 32.10 H new ATOM 0 HG21 VAL A 10 11.402 13.299 -13.235 1.00 33.22 H new ATOM 0 HG22 VAL A 10 11.019 11.562 -13.163 1.00 33.22 H new ATOM 0 HG23 VAL A 10 11.958 12.321 -11.856 1.00 33.22 H new ATOM 139 N SER A 11 16.018 10.729 -13.214 1.00 11.04 N ATOM 140 CA SER A 11 17.368 10.563 -13.738 1.00 53.44 C ATOM 141 C SER A 11 17.732 9.085 -13.841 1.00 61.32 C ATOM 142 O SER A 11 18.360 8.654 -14.809 1.00 41.02 O ATOM 143 CB SER A 11 18.377 11.289 -12.848 1.00 50.03 C ATOM 144 OG SER A 11 19.065 12.295 -13.571 1.00 72.32 O ATOM 0 H SER A 11 15.977 11.119 -12.272 1.00 11.04 H new ATOM 0 HA SER A 11 17.400 10.997 -14.737 1.00 53.44 H new ATOM 0 HB2 SER A 11 17.861 11.736 -11.998 1.00 50.03 H new ATOM 0 HB3 SER A 11 19.093 10.572 -12.445 1.00 50.03 H new ATOM 0 HG SER A 11 19.703 12.745 -12.979 1.00 72.32 H new ATOM 150 N LEU A 12 17.336 8.313 -12.836 1.00 0.03 N ATOM 151 CA LEU A 12 17.620 6.883 -12.810 1.00 55.31 C ATOM 152 C LEU A 12 16.357 6.072 -13.085 1.00 30.42 C ATOM 153 O LEU A 12 16.240 4.924 -12.655 1.00 23.55 O ATOM 154 CB LEU A 12 18.212 6.484 -11.458 1.00 30.04 C ATOM 155 CG LEU A 12 19.550 5.745 -11.502 1.00 15.24 C ATOM 156 CD1 LEU A 12 19.467 4.549 -12.440 1.00 24.21 C ATOM 157 CD2 LEU A 12 20.666 6.685 -11.932 1.00 44.20 C ATOM 0 H LEU A 12 16.816 8.654 -12.027 1.00 0.03 H new ATOM 0 HA LEU A 12 18.346 6.668 -13.594 1.00 55.31 H new ATOM 0 HB2 LEU A 12 18.338 7.386 -10.859 1.00 30.04 H new ATOM 0 HB3 LEU A 12 17.489 5.854 -10.939 1.00 30.04 H new ATOM 0 HG LEU A 12 19.776 5.381 -10.499 1.00 15.24 H new ATOM 0 HD11 LEU A 12 20.428 4.034 -12.459 1.00 24.21 H new ATOM 0 HD12 LEU A 12 18.695 3.864 -12.089 1.00 24.21 H new ATOM 0 HD13 LEU A 12 19.218 4.891 -13.445 1.00 24.21 H new ATOM 0 HD21 LEU A 12 21.610 6.141 -11.957 1.00 44.20 H new ATOM 0 HD22 LEU A 12 20.448 7.079 -12.924 1.00 44.20 H new ATOM 0 HD23 LEU A 12 20.741 7.509 -11.223 1.00 44.20 H new ATOM 169 N GLN A 13 15.416 6.675 -13.803 1.00 60.05 N ATOM 170 CA GLN A 13 14.164 6.008 -14.136 1.00 3.32 C ATOM 171 C GLN A 13 14.308 5.182 -15.410 1.00 63.20 C ATOM 172 O GLN A 13 13.823 4.054 -15.487 1.00 20.01 O ATOM 173 CB GLN A 13 13.043 7.036 -14.304 1.00 70.22 C ATOM 174 CG GLN A 13 11.849 6.788 -13.396 1.00 72.15 C ATOM 175 CD GLN A 13 11.109 8.064 -13.045 1.00 34.21 C ATOM 176 OE1 GLN A 13 10.847 8.901 -13.909 1.00 71.02 O ATOM 177 NE2 GLN A 13 10.767 8.218 -11.772 1.00 64.43 N ATOM 0 H GLN A 13 15.497 7.625 -14.165 1.00 60.05 H new ATOM 0 HA GLN A 13 13.911 5.335 -13.316 1.00 3.32 H new ATOM 0 HB2 GLN A 13 13.441 8.031 -14.104 1.00 70.22 H new ATOM 0 HB3 GLN A 13 12.708 7.029 -15.341 1.00 70.22 H new ATOM 0 HG2 GLN A 13 11.162 6.097 -13.885 1.00 72.15 H new ATOM 0 HG3 GLN A 13 12.188 6.305 -12.480 1.00 72.15 H new ATOM 0 HE21 GLN A 13 11.005 7.498 -11.089 1.00 64.43 H new ATOM 0 HE22 GLN A 13 10.266 9.056 -11.476 1.00 64.43 H new ATOM 186 N ASN A 14 14.977 5.752 -16.406 1.00 62.54 N ATOM 187 CA ASN A 14 15.185 5.068 -17.678 1.00 5.03 C ATOM 188 C ASN A 14 16.485 5.522 -18.333 1.00 75.44 C ATOM 189 O ASN A 14 17.317 4.700 -18.722 1.00 45.32 O ATOM 190 CB ASN A 14 14.007 5.330 -18.619 1.00 31.30 C ATOM 191 CG ASN A 14 12.964 4.231 -18.558 1.00 42.10 C ATOM 192 OD1 ASN A 14 13.295 3.050 -18.460 1.00 54.01 O ATOM 193 ND2 ASN A 14 11.695 4.618 -18.617 1.00 1.45 N ATOM 0 H ASN A 14 15.385 6.686 -16.358 1.00 62.54 H new ATOM 0 HA ASN A 14 15.253 3.998 -17.481 1.00 5.03 H new ATOM 0 HB2 ASN A 14 13.543 6.282 -18.360 1.00 31.30 H new ATOM 0 HB3 ASN A 14 14.375 5.422 -19.641 1.00 31.30 H new ATOM 0 HD21 ASN A 14 10.948 3.924 -18.581 1.00 1.45 H new ATOM 0 HD22 ASN A 14 11.467 5.609 -18.698 1.00 1.45 H new ATOM 200 N LEU A 15 16.656 6.833 -18.451 1.00 41.23 N ATOM 201 CA LEU A 15 17.856 7.398 -19.060 1.00 11.13 C ATOM 202 C LEU A 15 18.735 8.069 -18.009 1.00 33.22 C ATOM 203 O LEU A 15 18.330 9.046 -17.378 1.00 34.32 O ATOM 204 CB LEU A 15 17.476 8.408 -20.143 1.00 51.52 C ATOM 205 CG LEU A 15 17.099 7.823 -21.505 1.00 21.23 C ATOM 206 CD1 LEU A 15 18.251 7.010 -22.074 1.00 62.30 C ATOM 207 CD2 LEU A 15 15.846 6.966 -21.389 1.00 71.41 C ATOM 0 H LEU A 15 15.979 7.526 -18.133 1.00 41.23 H new ATOM 0 HA LEU A 15 18.421 6.584 -19.514 1.00 11.13 H new ATOM 0 HB2 LEU A 15 16.637 9.001 -19.780 1.00 51.52 H new ATOM 0 HB3 LEU A 15 18.313 9.092 -20.283 1.00 51.52 H new ATOM 0 HG LEU A 15 16.890 8.647 -22.188 1.00 21.23 H new ATOM 0 HD11 LEU A 15 17.964 6.602 -23.043 1.00 62.30 H new ATOM 0 HD12 LEU A 15 19.124 7.651 -22.194 1.00 62.30 H new ATOM 0 HD13 LEU A 15 18.491 6.194 -21.393 1.00 62.30 H new ATOM 0 HD21 LEU A 15 15.592 6.558 -22.367 1.00 71.41 H new ATOM 0 HD22 LEU A 15 16.027 6.149 -20.691 1.00 71.41 H new ATOM 0 HD23 LEU A 15 15.020 7.577 -21.025 1.00 71.41 H new ATOM 219 N LEU A 16 19.940 7.539 -17.829 1.00 2.13 N ATOM 220 CA LEU A 16 20.879 8.088 -16.856 1.00 2.31 C ATOM 221 C LEU A 16 21.635 9.277 -17.440 1.00 33.33 C ATOM 222 O LEU A 16 22.866 9.289 -17.468 1.00 12.03 O ATOM 223 CB LEU A 16 21.867 7.010 -16.408 1.00 25.34 C ATOM 224 CG LEU A 16 22.440 7.169 -14.998 1.00 10.42 C ATOM 225 CD1 LEU A 16 22.610 5.811 -14.335 1.00 21.42 C ATOM 226 CD2 LEU A 16 23.766 7.913 -15.043 1.00 53.41 C ATOM 0 H LEU A 16 20.290 6.731 -18.343 1.00 2.13 H new ATOM 0 HA LEU A 16 20.310 8.432 -15.992 1.00 2.31 H new ATOM 0 HB2 LEU A 16 21.370 6.042 -16.470 1.00 25.34 H new ATOM 0 HB3 LEU A 16 22.696 6.989 -17.115 1.00 25.34 H new ATOM 0 HG LEU A 16 21.738 7.754 -14.404 1.00 10.42 H new ATOM 0 HD11 LEU A 16 23.019 5.944 -13.333 1.00 21.42 H new ATOM 0 HD12 LEU A 16 21.642 5.314 -14.269 1.00 21.42 H new ATOM 0 HD13 LEU A 16 23.292 5.200 -14.927 1.00 21.42 H new ATOM 0 HD21 LEU A 16 24.159 8.017 -14.032 1.00 53.41 H new ATOM 0 HD22 LEU A 16 24.476 7.354 -15.653 1.00 53.41 H new ATOM 0 HD23 LEU A 16 23.614 8.901 -15.477 1.00 53.41 H new ATOM 238 N VAL A 17 20.891 10.275 -17.903 1.00 24.22 N ATOM 239 CA VAL A 17 21.491 11.471 -18.483 1.00 24.01 C ATOM 240 C VAL A 17 20.576 12.680 -18.321 1.00 10.11 C ATOM 241 O VAL A 17 19.358 12.538 -18.208 1.00 10.24 O ATOM 242 CB VAL A 17 21.803 11.274 -19.978 1.00 12.45 C ATOM 243 CG1 VAL A 17 23.011 10.367 -20.156 1.00 50.43 C ATOM 244 CG2 VAL A 17 20.591 10.709 -20.704 1.00 44.21 C ATOM 0 H VAL A 17 19.871 10.280 -17.888 1.00 24.22 H new ATOM 0 HA VAL A 17 22.422 11.650 -17.945 1.00 24.01 H new ATOM 0 HB VAL A 17 22.040 12.245 -20.413 1.00 12.45 H new ATOM 0 HG11 VAL A 17 23.217 10.239 -21.219 1.00 50.43 H new ATOM 0 HG12 VAL A 17 23.878 10.816 -19.670 1.00 50.43 H new ATOM 0 HG13 VAL A 17 22.806 9.395 -19.707 1.00 50.43 H new ATOM 0 HG21 VAL A 17 20.828 10.576 -21.759 1.00 44.21 H new ATOM 0 HG22 VAL A 17 20.322 9.747 -20.268 1.00 44.21 H new ATOM 0 HG23 VAL A 17 19.753 11.399 -20.605 1.00 44.21 H new ATOM 254 N TYR A 18 21.170 13.867 -18.312 1.00 42.34 N ATOM 255 CA TYR A 18 20.408 15.101 -18.163 1.00 64.31 C ATOM 256 C TYR A 18 20.257 15.814 -19.504 1.00 23.54 C ATOM 257 O TYR A 18 20.080 17.032 -19.556 1.00 74.23 O ATOM 258 CB TYR A 18 21.090 16.028 -17.154 1.00 35.44 C ATOM 259 CG TYR A 18 22.567 16.221 -17.413 1.00 63.50 C ATOM 260 CD1 TYR A 18 23.011 17.017 -18.461 1.00 1.32 C ATOM 261 CD2 TYR A 18 23.519 15.608 -16.606 1.00 3.31 C ATOM 262 CE1 TYR A 18 24.360 17.196 -18.701 1.00 13.13 C ATOM 263 CE2 TYR A 18 24.869 15.782 -16.838 1.00 71.25 C ATOM 264 CZ TYR A 18 25.284 16.576 -17.887 1.00 71.53 C ATOM 265 OH TYR A 18 26.629 16.753 -18.122 1.00 33.23 O ATOM 0 H TYR A 18 22.177 14.001 -18.406 1.00 42.34 H new ATOM 0 HA TYR A 18 19.415 14.842 -17.796 1.00 64.31 H new ATOM 0 HB2 TYR A 18 20.596 16.999 -17.174 1.00 35.44 H new ATOM 0 HB3 TYR A 18 20.955 15.622 -16.151 1.00 35.44 H new ATOM 0 HD1 TYR A 18 22.289 17.505 -19.100 1.00 1.32 H new ATOM 0 HD2 TYR A 18 23.197 14.986 -15.784 1.00 3.31 H new ATOM 0 HE1 TYR A 18 24.688 17.818 -19.521 1.00 13.13 H new ATOM 0 HE2 TYR A 18 25.596 15.299 -16.202 1.00 71.25 H new ATOM 0 HH TYR A 18 27.146 16.250 -17.459 1.00 33.23 H new ATOM 275 N VAL A 19 20.326 15.046 -20.585 1.00 62.13 N ATOM 276 CA VAL A 19 20.196 15.602 -21.927 1.00 25.13 C ATOM 277 C VAL A 19 18.882 16.359 -22.082 1.00 42.15 C ATOM 278 O VAL A 19 18.761 17.246 -22.927 1.00 4.35 O ATOM 279 CB VAL A 19 20.270 14.499 -23.001 1.00 63.35 C ATOM 280 CG1 VAL A 19 19.038 13.610 -22.940 1.00 62.20 C ATOM 281 CG2 VAL A 19 20.427 15.114 -24.384 1.00 60.53 C ATOM 0 H VAL A 19 20.471 14.037 -20.559 1.00 62.13 H new ATOM 0 HA VAL A 19 21.029 16.291 -22.067 1.00 25.13 H new ATOM 0 HB VAL A 19 21.144 13.879 -22.802 1.00 63.35 H new ATOM 0 HG11 VAL A 19 19.109 12.837 -23.706 1.00 62.20 H new ATOM 0 HG12 VAL A 19 18.975 13.142 -21.957 1.00 62.20 H new ATOM 0 HG13 VAL A 19 18.146 14.212 -23.113 1.00 62.20 H new ATOM 0 HG21 VAL A 19 20.478 14.322 -25.131 1.00 60.53 H new ATOM 0 HG22 VAL A 19 19.573 15.758 -24.595 1.00 60.53 H new ATOM 0 HG23 VAL A 19 21.343 15.704 -24.418 1.00 60.53 H new ATOM 291 N ASN A 20 17.899 16.003 -21.261 1.00 53.44 N ATOM 292 CA ASN A 20 16.593 16.649 -21.308 1.00 24.02 C ATOM 293 C ASN A 20 16.734 18.167 -21.259 1.00 72.41 C ATOM 294 O ASN A 20 17.735 18.691 -20.771 1.00 62.43 O ATOM 295 CB ASN A 20 15.721 16.170 -20.145 1.00 35.11 C ATOM 296 CG ASN A 20 15.796 14.668 -19.948 1.00 34.10 C ATOM 297 OD1 ASN A 20 16.175 14.189 -18.879 1.00 74.50 O ATOM 298 ND2 ASN A 20 15.434 13.916 -20.982 1.00 63.52 N ATOM 0 H ASN A 20 17.982 15.271 -20.556 1.00 53.44 H new ATOM 0 HA ASN A 20 16.115 16.376 -22.249 1.00 24.02 H new ATOM 0 HB2 ASN A 20 16.035 16.670 -19.229 1.00 35.11 H new ATOM 0 HB3 ASN A 20 14.686 16.459 -20.327 1.00 35.11 H new ATOM 0 HD21 ASN A 20 15.464 12.899 -20.908 1.00 63.52 H new ATOM 0 HD22 ASN A 20 15.126 14.356 -21.849 1.00 63.52 H new ATOM 305 N TRP A 21 15.726 18.867 -21.766 1.00 20.20 N ATOM 306 CA TRP A 21 15.738 20.325 -21.780 1.00 14.01 C ATOM 307 C TRP A 21 14.411 20.876 -22.289 1.00 53.41 C ATOM 308 O TRP A 21 13.927 21.900 -21.807 1.00 50.41 O ATOM 309 CB TRP A 21 16.885 20.838 -22.651 1.00 40.04 C ATOM 310 CG TRP A 21 16.571 20.822 -24.117 1.00 14.44 C ATOM 311 CD1 TRP A 21 16.372 21.905 -24.925 1.00 21.43 C ATOM 312 CD2 TRP A 21 16.418 19.665 -24.947 1.00 42.41 C ATOM 313 NE1 TRP A 21 16.105 21.492 -26.208 1.00 12.12 N ATOM 314 CE2 TRP A 21 16.127 20.122 -26.247 1.00 73.05 C ATOM 315 CE3 TRP A 21 16.499 18.290 -24.719 1.00 14.23 C ATOM 316 CZ2 TRP A 21 15.918 19.250 -27.313 1.00 40.23 C ATOM 317 CZ3 TRP A 21 16.290 17.426 -25.778 1.00 31.32 C ATOM 318 CH2 TRP A 21 16.004 17.908 -27.061 1.00 3.31 C ATOM 0 H TRP A 21 14.890 18.448 -22.173 1.00 20.20 H new ATOM 0 HA TRP A 21 15.885 20.672 -20.757 1.00 14.01 H new ATOM 0 HB2 TRP A 21 17.132 21.856 -22.351 1.00 40.04 H new ATOM 0 HB3 TRP A 21 17.770 20.228 -22.470 1.00 40.04 H new ATOM 0 HD1 TRP A 21 16.418 22.935 -24.603 1.00 21.43 H new ATOM 0 HE1 TRP A 21 15.920 22.105 -27.002 1.00 12.12 H new ATOM 0 HE3 TRP A 21 16.721 17.908 -23.733 1.00 14.23 H new ATOM 0 HZ2 TRP A 21 15.696 19.620 -28.303 1.00 40.23 H new ATOM 0 HZ3 TRP A 21 16.348 16.360 -25.613 1.00 31.32 H new ATOM 0 HH2 TRP A 21 15.848 17.207 -27.867 1.00 3.31 H new ATOM 329 N SER A 22 13.826 20.189 -23.265 1.00 43.50 N ATOM 330 CA SER A 22 12.554 20.613 -23.842 1.00 34.21 C ATOM 331 C SER A 22 11.684 19.406 -24.184 1.00 31.40 C ATOM 332 O SER A 22 10.522 19.332 -23.785 1.00 71.34 O ATOM 333 CB SER A 22 12.795 21.454 -25.096 1.00 54.55 C ATOM 334 OG SER A 22 13.063 22.804 -24.762 1.00 44.24 O ATOM 0 H SER A 22 14.211 19.337 -23.673 1.00 43.50 H new ATOM 0 HA SER A 22 12.030 21.219 -23.102 1.00 34.21 H new ATOM 0 HB2 SER A 22 13.633 21.042 -25.658 1.00 54.55 H new ATOM 0 HB3 SER A 22 11.921 21.404 -25.745 1.00 54.55 H new ATOM 0 HG SER A 22 14.031 22.938 -24.694 1.00 44.24 H new ATOM 340 N SER A 23 12.257 18.463 -24.924 1.00 52.45 N ATOM 341 CA SER A 23 11.533 17.261 -25.324 1.00 70.55 C ATOM 342 C SER A 23 11.635 16.184 -24.250 1.00 21.14 C ATOM 343 O SER A 23 11.951 15.030 -24.539 1.00 71.42 O ATOM 344 CB SER A 23 12.080 16.728 -26.650 1.00 64.44 C ATOM 345 OG SER A 23 12.318 17.784 -27.565 1.00 40.43 O ATOM 0 H SER A 23 13.219 18.507 -25.259 1.00 52.45 H new ATOM 0 HA SER A 23 10.483 17.524 -25.452 1.00 70.55 H new ATOM 0 HB2 SER A 23 13.006 16.182 -26.472 1.00 64.44 H new ATOM 0 HB3 SER A 23 11.371 16.021 -27.082 1.00 64.44 H new ATOM 0 HG SER A 23 12.669 17.417 -28.404 1.00 40.43 H new ATOM 351 N TYR A 24 11.364 16.569 -23.007 1.00 5.42 N ATOM 352 CA TYR A 24 11.427 15.638 -21.888 1.00 0.25 C ATOM 353 C TYR A 24 10.616 14.378 -22.180 1.00 43.42 C ATOM 354 O TYR A 24 9.750 14.356 -23.056 1.00 33.34 O ATOM 355 CB TYR A 24 10.910 16.305 -20.612 1.00 2.51 C ATOM 356 CG TYR A 24 12.002 16.918 -19.765 1.00 5.34 C ATOM 357 CD1 TYR A 24 12.671 18.062 -20.181 1.00 32.43 C ATOM 358 CD2 TYR A 24 12.361 16.355 -18.546 1.00 52.11 C ATOM 359 CE1 TYR A 24 13.671 18.625 -19.410 1.00 2.23 C ATOM 360 CE2 TYR A 24 13.358 16.912 -17.769 1.00 24.44 C ATOM 361 CZ TYR A 24 14.009 18.046 -18.205 1.00 70.51 C ATOM 362 OH TYR A 24 15.003 18.605 -17.433 1.00 3.44 O ATOM 0 H TYR A 24 11.099 17.520 -22.750 1.00 5.42 H new ATOM 0 HA TYR A 24 12.469 15.353 -21.745 1.00 0.25 H new ATOM 0 HB2 TYR A 24 10.193 17.080 -20.882 1.00 2.51 H new ATOM 0 HB3 TYR A 24 10.372 15.566 -20.018 1.00 2.51 H new ATOM 0 HD1 TYR A 24 12.406 18.519 -21.123 1.00 32.43 H new ATOM 0 HD2 TYR A 24 11.852 15.467 -18.201 1.00 52.11 H new ATOM 0 HE1 TYR A 24 14.184 19.513 -19.749 1.00 2.23 H new ATOM 0 HE2 TYR A 24 13.626 16.461 -16.825 1.00 24.44 H new ATOM 0 HH TYR A 24 15.118 18.077 -16.615 1.00 3.44 H new ATOM 372 N PRO A 25 10.901 13.304 -21.429 1.00 42.11 N ATOM 373 CA PRO A 25 10.210 12.021 -21.587 1.00 42.21 C ATOM 374 C PRO A 25 8.759 12.083 -21.122 1.00 25.24 C ATOM 375 O PRO A 25 8.402 12.903 -20.276 1.00 22.42 O ATOM 376 CB PRO A 25 11.017 11.072 -20.698 1.00 13.43 C ATOM 377 CG PRO A 25 11.646 11.953 -19.675 1.00 43.21 C ATOM 378 CD PRO A 25 11.920 13.260 -20.367 1.00 51.20 C ATOM 0 HA PRO A 25 10.160 11.710 -22.631 1.00 42.21 H new ATOM 0 HB2 PRO A 25 10.375 10.323 -20.234 1.00 13.43 H new ATOM 0 HB3 PRO A 25 11.770 10.534 -21.274 1.00 13.43 H new ATOM 0 HG2 PRO A 25 10.983 12.095 -18.821 1.00 43.21 H new ATOM 0 HG3 PRO A 25 12.567 11.513 -19.294 1.00 43.21 H new ATOM 0 HD2 PRO A 25 11.825 14.104 -19.684 1.00 51.20 H new ATOM 0 HD3 PRO A 25 12.929 13.294 -20.777 1.00 51.20 H new ATOM 386 N LYS A 26 7.926 11.212 -21.679 1.00 52.12 N ATOM 387 CA LYS A 26 6.513 11.165 -21.321 1.00 40.11 C ATOM 388 C LYS A 26 6.313 10.449 -19.990 1.00 31.15 C ATOM 389 O LYS A 26 6.976 9.451 -19.704 1.00 73.02 O ATOM 390 CB LYS A 26 5.711 10.461 -22.417 1.00 71.10 C ATOM 391 CG LYS A 26 5.759 11.172 -23.758 1.00 54.33 C ATOM 392 CD LYS A 26 5.307 10.262 -24.888 1.00 1.51 C ATOM 393 CE LYS A 26 6.491 9.627 -25.602 1.00 63.11 C ATOM 394 NZ LYS A 26 6.155 8.282 -26.144 1.00 21.42 N ATOM 0 H LYS A 26 8.205 10.527 -22.382 1.00 52.12 H new ATOM 0 HA LYS A 26 6.155 12.190 -21.220 1.00 40.11 H new ATOM 0 HB2 LYS A 26 6.091 9.447 -22.539 1.00 71.10 H new ATOM 0 HB3 LYS A 26 4.672 10.376 -22.098 1.00 71.10 H new ATOM 0 HG2 LYS A 26 5.123 12.056 -23.725 1.00 54.33 H new ATOM 0 HG3 LYS A 26 6.775 11.517 -23.952 1.00 54.33 H new ATOM 0 HD2 LYS A 26 4.659 9.481 -24.490 1.00 1.51 H new ATOM 0 HD3 LYS A 26 4.715 10.834 -25.602 1.00 1.51 H new ATOM 0 HE2 LYS A 26 6.815 10.276 -26.416 1.00 63.11 H new ATOM 0 HE3 LYS A 26 7.329 9.541 -24.910 1.00 63.11 H new ATOM 0 HZ1 LYS A 26 6.987 7.883 -26.623 1.00 21.42 H new ATOM 0 HZ2 LYS A 26 5.870 7.655 -25.365 1.00 21.42 H new ATOM 0 HZ3 LYS A 26 5.372 8.367 -26.824 1.00 21.42 H new ATOM 408 N TYR A 27 5.395 10.962 -19.179 1.00 71.51 N ATOM 409 CA TYR A 27 5.109 10.371 -17.876 1.00 41.04 C ATOM 410 C TYR A 27 4.844 8.874 -18.004 1.00 45.20 C ATOM 411 O TYR A 27 3.946 8.452 -18.733 1.00 25.55 O ATOM 412 CB TYR A 27 3.904 11.061 -17.234 1.00 52.33 C ATOM 413 CG TYR A 27 2.987 10.113 -16.494 1.00 63.50 C ATOM 414 CD1 TYR A 27 3.409 9.471 -15.336 1.00 33.20 C ATOM 415 CD2 TYR A 27 1.701 9.859 -16.952 1.00 44.33 C ATOM 416 CE1 TYR A 27 2.575 8.604 -14.657 1.00 33.34 C ATOM 417 CE2 TYR A 27 0.860 8.995 -16.279 1.00 42.22 C ATOM 418 CZ TYR A 27 1.301 8.369 -15.132 1.00 54.03 C ATOM 419 OH TYR A 27 0.467 7.506 -14.459 1.00 73.34 O ATOM 0 H TYR A 27 4.836 11.786 -19.400 1.00 71.51 H new ATOM 0 HA TYR A 27 5.983 10.514 -17.240 1.00 41.04 H new ATOM 0 HB2 TYR A 27 4.259 11.824 -16.542 1.00 52.33 H new ATOM 0 HB3 TYR A 27 3.334 11.574 -18.009 1.00 52.33 H new ATOM 0 HD1 TYR A 27 4.405 9.653 -14.961 1.00 33.20 H new ATOM 0 HD2 TYR A 27 1.352 10.346 -17.851 1.00 44.33 H new ATOM 0 HE1 TYR A 27 2.918 8.113 -13.759 1.00 33.34 H new ATOM 0 HE2 TYR A 27 -0.138 8.810 -16.649 1.00 42.22 H new ATOM 0 HH TYR A 27 0.324 7.834 -13.547 1.00 73.34 H new ATOM 429 N GLU A 28 5.632 8.077 -17.290 1.00 22.22 N ATOM 430 CA GLU A 28 5.483 6.627 -17.322 1.00 73.23 C ATOM 431 C GLU A 28 4.620 6.142 -16.161 1.00 41.22 C ATOM 432 O GLU A 28 5.036 6.143 -15.003 1.00 42.02 O ATOM 433 CB GLU A 28 6.855 5.950 -17.270 1.00 1.10 C ATOM 434 CG GLU A 28 7.178 5.135 -18.511 1.00 72.52 C ATOM 435 CD GLU A 28 7.890 3.836 -18.186 1.00 42.12 C ATOM 436 OE1 GLU A 28 7.444 3.131 -17.258 1.00 24.33 O ATOM 437 OE2 GLU A 28 8.893 3.524 -18.862 1.00 4.40 O ATOM 0 H GLU A 28 6.380 8.411 -16.682 1.00 22.22 H new ATOM 0 HA GLU A 28 4.988 6.359 -18.256 1.00 73.23 H new ATOM 0 HB2 GLU A 28 7.622 6.712 -17.136 1.00 1.10 H new ATOM 0 HB3 GLU A 28 6.897 5.299 -16.397 1.00 1.10 H new ATOM 0 HG2 GLU A 28 6.255 4.915 -19.047 1.00 72.52 H new ATOM 0 HG3 GLU A 28 7.801 5.729 -19.180 1.00 72.52 H new ATOM 444 N PRO A 29 3.387 5.718 -16.478 1.00 61.14 N ATOM 445 CA PRO A 29 2.439 5.223 -15.477 1.00 4.05 C ATOM 446 C PRO A 29 2.860 3.877 -14.896 1.00 3.10 C ATOM 447 O PRO A 29 3.131 2.929 -15.632 1.00 42.25 O ATOM 448 CB PRO A 29 1.134 5.081 -16.263 1.00 42.11 C ATOM 449 CG PRO A 29 1.563 4.889 -17.677 1.00 4.30 C ATOM 450 CD PRO A 29 2.825 5.689 -17.838 1.00 74.25 C ATOM 0 HA PRO A 29 2.365 5.892 -14.620 1.00 4.05 H new ATOM 0 HB2 PRO A 29 0.548 4.233 -15.908 1.00 42.11 H new ATOM 0 HB3 PRO A 29 0.509 5.967 -16.156 1.00 42.11 H new ATOM 0 HG2 PRO A 29 1.739 3.835 -17.892 1.00 4.30 H new ATOM 0 HG3 PRO A 29 0.793 5.231 -18.368 1.00 4.30 H new ATOM 0 HD2 PRO A 29 3.510 5.221 -18.546 1.00 74.25 H new ATOM 0 HD3 PRO A 29 2.620 6.693 -18.209 1.00 74.25 H new ATOM 458 N GLY A 30 2.912 3.799 -13.569 1.00 43.42 N ATOM 459 CA GLY A 30 3.299 2.565 -12.913 1.00 24.42 C ATOM 460 C GLY A 30 4.680 2.647 -12.292 1.00 51.53 C ATOM 461 O GLY A 30 5.333 1.627 -12.074 1.00 5.10 O ATOM 0 H GLY A 30 2.693 4.569 -12.937 1.00 43.42 H new ATOM 0 HA2 GLY A 30 2.570 2.324 -12.139 1.00 24.42 H new ATOM 0 HA3 GLY A 30 3.277 1.750 -13.637 1.00 24.42 H new ATOM 465 N LYS A 31 5.127 3.865 -12.009 1.00 65.53 N ATOM 466 CA LYS A 31 6.440 4.079 -11.410 1.00 64.52 C ATOM 467 C LYS A 31 6.395 5.213 -10.390 1.00 35.34 C ATOM 468 O LYS A 31 6.062 6.349 -10.725 1.00 73.03 O ATOM 469 CB LYS A 31 7.473 4.396 -12.494 1.00 11.25 C ATOM 470 CG LYS A 31 8.653 3.440 -12.507 1.00 43.01 C ATOM 471 CD LYS A 31 9.975 4.189 -12.550 1.00 33.42 C ATOM 472 CE LYS A 31 10.720 4.083 -11.228 1.00 12.33 C ATOM 473 NZ LYS A 31 11.008 2.667 -10.867 1.00 33.43 N ATOM 0 H LYS A 31 4.600 4.720 -12.185 1.00 65.53 H new ATOM 0 HA LYS A 31 6.730 3.162 -10.896 1.00 64.52 H new ATOM 0 HB2 LYS A 31 6.985 4.371 -13.468 1.00 11.25 H new ATOM 0 HB3 LYS A 31 7.841 5.412 -12.348 1.00 11.25 H new ATOM 0 HG2 LYS A 31 8.620 2.808 -11.620 1.00 43.01 H new ATOM 0 HG3 LYS A 31 8.579 2.780 -13.372 1.00 43.01 H new ATOM 0 HD2 LYS A 31 10.595 3.788 -13.351 1.00 33.42 H new ATOM 0 HD3 LYS A 31 9.792 5.238 -12.783 1.00 33.42 H new ATOM 0 HE2 LYS A 31 11.655 4.639 -11.292 1.00 12.33 H new ATOM 0 HE3 LYS A 31 10.128 4.546 -10.439 1.00 12.33 H new ATOM 0 HZ1 LYS A 31 11.894 2.620 -10.324 1.00 33.43 H new ATOM 0 HZ2 LYS A 31 10.228 2.290 -10.291 1.00 33.43 H new ATOM 0 HZ3 LYS A 31 11.104 2.100 -11.734 1.00 33.43 H new ATOM 487 N GLU A 32 6.732 4.895 -9.144 1.00 62.51 N ATOM 488 CA GLU A 32 6.731 5.889 -8.076 1.00 35.14 C ATOM 489 C GLU A 32 7.473 7.150 -8.505 1.00 42.42 C ATOM 490 O GLU A 32 8.352 7.105 -9.367 1.00 31.54 O ATOM 491 CB GLU A 32 7.373 5.311 -6.812 1.00 44.12 C ATOM 492 CG GLU A 32 8.767 4.753 -7.039 1.00 31.35 C ATOM 493 CD GLU A 32 8.931 3.350 -6.486 1.00 2.21 C ATOM 494 OE1 GLU A 32 8.173 2.454 -6.911 1.00 52.44 O ATOM 495 OE2 GLU A 32 9.815 3.149 -5.628 1.00 53.00 O ATOM 0 H GLU A 32 7.009 3.959 -8.849 1.00 62.51 H new ATOM 0 HA GLU A 32 5.696 6.154 -7.862 1.00 35.14 H new ATOM 0 HB2 GLU A 32 7.422 6.090 -6.051 1.00 44.12 H new ATOM 0 HB3 GLU A 32 6.734 4.520 -6.419 1.00 44.12 H new ATOM 0 HG2 GLU A 32 8.982 4.746 -8.108 1.00 31.35 H new ATOM 0 HG3 GLU A 32 9.499 5.412 -6.571 1.00 31.35 H new ATOM 502 N TYR A 33 7.111 8.277 -7.901 1.00 53.51 N ATOM 503 CA TYR A 33 7.739 9.552 -8.223 1.00 64.53 C ATOM 504 C TYR A 33 8.010 10.360 -6.957 1.00 24.11 C ATOM 505 O TYR A 33 7.083 10.780 -6.265 1.00 52.04 O ATOM 506 CB TYR A 33 6.851 10.356 -9.174 1.00 24.32 C ATOM 507 CG TYR A 33 6.762 9.766 -10.563 1.00 3.11 C ATOM 508 CD1 TYR A 33 7.863 9.768 -11.411 1.00 14.52 C ATOM 509 CD2 TYR A 33 5.578 9.208 -11.027 1.00 52.43 C ATOM 510 CE1 TYR A 33 7.785 9.229 -12.681 1.00 52.22 C ATOM 511 CE2 TYR A 33 5.492 8.667 -12.295 1.00 54.12 C ATOM 512 CZ TYR A 33 6.598 8.680 -13.119 1.00 33.54 C ATOM 513 OH TYR A 33 6.517 8.143 -14.383 1.00 51.43 O ATOM 0 H TYR A 33 6.386 8.333 -7.186 1.00 53.51 H new ATOM 0 HA TYR A 33 8.691 9.346 -8.712 1.00 64.53 H new ATOM 0 HB2 TYR A 33 5.848 10.423 -8.752 1.00 24.32 H new ATOM 0 HB3 TYR A 33 7.236 11.373 -9.244 1.00 24.32 H new ATOM 0 HD1 TYR A 33 8.794 10.198 -11.072 1.00 14.52 H new ATOM 0 HD2 TYR A 33 4.709 9.197 -10.385 1.00 52.43 H new ATOM 0 HE1 TYR A 33 8.650 9.238 -13.328 1.00 52.22 H new ATOM 0 HE2 TYR A 33 4.564 8.236 -12.639 1.00 54.12 H new ATOM 0 HH TYR A 33 5.994 7.315 -14.354 1.00 51.43 H new ATOM 523 N ASN A 34 9.288 10.575 -6.661 1.00 53.24 N ATOM 524 CA ASN A 34 9.683 11.333 -5.480 1.00 13.30 C ATOM 525 C ASN A 34 9.609 12.833 -5.746 1.00 12.13 C ATOM 526 O ASN A 34 9.323 13.261 -6.864 1.00 3.01 O ATOM 527 CB ASN A 34 11.101 10.948 -5.053 1.00 42.15 C ATOM 528 CG ASN A 34 11.165 9.565 -4.437 1.00 32.00 C ATOM 529 OD1 ASN A 34 11.538 9.407 -3.274 1.00 55.35 O ATOM 530 ND2 ASN A 34 10.799 8.553 -5.215 1.00 73.42 N ATOM 0 H ASN A 34 10.068 10.235 -7.223 1.00 53.24 H new ATOM 0 HA ASN A 34 8.990 11.091 -4.675 1.00 13.30 H new ATOM 0 HB2 ASN A 34 11.761 10.988 -5.919 1.00 42.15 H new ATOM 0 HB3 ASN A 34 11.472 11.680 -4.335 1.00 42.15 H new ATOM 0 HD21 ASN A 34 10.820 7.599 -4.855 1.00 73.42 H new ATOM 0 HD22 ASN A 34 10.497 8.730 -6.173 1.00 73.42 H new ATOM 537 N GLN A 35 9.869 13.626 -4.711 1.00 12.33 N ATOM 538 CA GLN A 35 9.830 15.078 -4.833 1.00 34.43 C ATOM 539 C GLN A 35 10.958 15.578 -5.730 1.00 61.33 C ATOM 540 O GLN A 35 12.118 15.211 -5.549 1.00 33.30 O ATOM 541 CB GLN A 35 9.934 15.729 -3.453 1.00 4.30 C ATOM 542 CG GLN A 35 11.288 15.541 -2.791 1.00 24.54 C ATOM 543 CD GLN A 35 11.346 16.140 -1.399 1.00 12.33 C ATOM 544 OE1 GLN A 35 11.885 17.228 -1.200 1.00 4.30 O ATOM 545 NE2 GLN A 35 10.788 15.429 -0.426 1.00 22.13 N ATOM 0 H GLN A 35 10.109 13.287 -3.779 1.00 12.33 H new ATOM 0 HA GLN A 35 8.878 15.355 -5.287 1.00 34.43 H new ATOM 0 HB2 GLN A 35 9.730 16.796 -3.548 1.00 4.30 H new ATOM 0 HB3 GLN A 35 9.162 15.313 -2.806 1.00 4.30 H new ATOM 0 HG2 GLN A 35 11.516 14.477 -2.734 1.00 24.54 H new ATOM 0 HG3 GLN A 35 12.058 15.999 -3.412 1.00 24.54 H new ATOM 0 HE21 GLN A 35 10.352 14.531 -0.636 1.00 22.13 H new ATOM 0 HE22 GLN A 35 10.796 15.781 0.531 1.00 22.13 H new ATOM 554 N GLY A 36 10.608 16.419 -6.698 1.00 75.04 N ATOM 555 CA GLY A 36 11.602 16.956 -7.610 1.00 30.50 C ATOM 556 C GLY A 36 11.549 16.303 -8.977 1.00 11.41 C ATOM 557 O GLY A 36 11.997 16.881 -9.967 1.00 25.23 O ATOM 0 H GLY A 36 9.654 16.738 -6.867 1.00 75.04 H new ATOM 0 HA2 GLY A 36 11.449 18.030 -7.718 1.00 30.50 H new ATOM 0 HA3 GLY A 36 12.595 16.817 -7.183 1.00 30.50 H new ATOM 561 N ASP A 37 11.000 15.094 -9.032 1.00 3.45 N ATOM 562 CA ASP A 37 10.890 14.361 -10.288 1.00 41.31 C ATOM 563 C ASP A 37 10.105 15.166 -11.320 1.00 43.03 C ATOM 564 O ASP A 37 9.022 15.675 -11.031 1.00 43.11 O ATOM 565 CB ASP A 37 10.214 13.009 -10.056 1.00 44.15 C ATOM 566 CG ASP A 37 8.946 12.848 -10.872 1.00 0.24 C ATOM 567 OD1 ASP A 37 7.868 13.246 -10.380 1.00 74.34 O ATOM 568 OD2 ASP A 37 9.031 12.326 -12.002 1.00 54.32 O ATOM 0 H ASP A 37 10.624 14.601 -8.222 1.00 3.45 H new ATOM 0 HA ASP A 37 11.896 14.194 -10.673 1.00 41.31 H new ATOM 0 HB2 ASP A 37 10.910 12.210 -10.310 1.00 44.15 H new ATOM 0 HB3 ASP A 37 9.978 12.901 -8.997 1.00 44.15 H new ATOM 573 N ILE A 38 10.659 15.277 -12.522 1.00 73.41 N ATOM 574 CA ILE A 38 10.012 16.019 -13.596 1.00 5.53 C ATOM 575 C ILE A 38 9.727 15.119 -14.793 1.00 71.21 C ATOM 576 O ILE A 38 10.597 14.374 -15.244 1.00 34.12 O ATOM 577 CB ILE A 38 10.873 17.210 -14.057 1.00 20.42 C ATOM 578 CG1 ILE A 38 11.130 18.164 -12.889 1.00 25.35 C ATOM 579 CG2 ILE A 38 10.196 17.941 -15.206 1.00 5.30 C ATOM 580 CD1 ILE A 38 12.581 18.227 -12.467 1.00 34.33 C ATOM 0 H ILE A 38 11.555 14.862 -12.777 1.00 73.41 H new ATOM 0 HA ILE A 38 9.071 16.395 -13.195 1.00 5.53 H new ATOM 0 HB ILE A 38 11.832 16.830 -14.409 1.00 20.42 H new ATOM 0 HG12 ILE A 38 10.798 19.164 -13.168 1.00 25.35 H new ATOM 0 HG13 ILE A 38 10.526 17.853 -12.037 1.00 25.35 H new ATOM 0 HG21 ILE A 38 10.817 18.780 -15.520 1.00 5.30 H new ATOM 0 HG22 ILE A 38 10.060 17.256 -16.043 1.00 5.30 H new ATOM 0 HG23 ILE A 38 9.224 18.311 -14.879 1.00 5.30 H new ATOM 0 HD11 ILE A 38 12.688 18.923 -11.635 1.00 34.33 H new ATOM 0 HD12 ILE A 38 12.913 17.236 -12.157 1.00 34.33 H new ATOM 0 HD13 ILE A 38 13.189 18.568 -13.305 1.00 34.33 H new ATOM 592 N VAL A 39 8.503 15.194 -15.306 1.00 52.33 N ATOM 593 CA VAL A 39 8.104 14.388 -16.455 1.00 25.55 C ATOM 594 C VAL A 39 7.141 15.153 -17.354 1.00 12.45 C ATOM 595 O VAL A 39 6.326 15.943 -16.878 1.00 73.14 O ATOM 596 CB VAL A 39 7.439 13.071 -16.011 1.00 75.41 C ATOM 597 CG1 VAL A 39 8.305 12.355 -14.985 1.00 70.30 C ATOM 598 CG2 VAL A 39 6.049 13.337 -15.454 1.00 42.13 C ATOM 0 H VAL A 39 7.770 15.805 -14.944 1.00 52.33 H new ATOM 0 HA VAL A 39 9.012 14.159 -17.013 1.00 25.55 H new ATOM 0 HB VAL A 39 7.338 12.424 -16.882 1.00 75.41 H new ATOM 0 HG11 VAL A 39 7.819 11.427 -14.683 1.00 70.30 H new ATOM 0 HG12 VAL A 39 9.277 12.130 -15.423 1.00 70.30 H new ATOM 0 HG13 VAL A 39 8.440 12.995 -14.113 1.00 70.30 H new ATOM 0 HG21 VAL A 39 5.594 12.396 -15.145 1.00 42.13 H new ATOM 0 HG22 VAL A 39 6.123 14.003 -14.594 1.00 42.13 H new ATOM 0 HG23 VAL A 39 5.432 13.803 -16.222 1.00 42.13 H new ATOM 608 N GLU A 40 7.238 14.911 -18.658 1.00 32.25 N ATOM 609 CA GLU A 40 6.375 15.578 -19.625 1.00 61.01 C ATOM 610 C GLU A 40 5.087 14.787 -19.841 1.00 21.42 C ATOM 611 O GLU A 40 5.086 13.557 -19.793 1.00 52.23 O ATOM 612 CB GLU A 40 7.106 15.756 -20.957 1.00 42.50 C ATOM 613 CG GLU A 40 6.207 16.229 -22.087 1.00 4.45 C ATOM 614 CD GLU A 40 6.943 16.352 -23.406 1.00 62.34 C ATOM 615 OE1 GLU A 40 8.178 16.535 -23.382 1.00 1.21 O ATOM 616 OE2 GLU A 40 6.284 16.265 -24.463 1.00 44.33 O ATOM 0 H GLU A 40 7.906 14.258 -19.068 1.00 32.25 H new ATOM 0 HA GLU A 40 6.117 16.559 -19.227 1.00 61.01 H new ATOM 0 HB2 GLU A 40 7.916 16.473 -20.824 1.00 42.50 H new ATOM 0 HB3 GLU A 40 7.563 14.808 -21.240 1.00 42.50 H new ATOM 0 HG2 GLU A 40 5.377 15.532 -22.202 1.00 4.45 H new ATOM 0 HG3 GLU A 40 5.777 17.195 -21.824 1.00 4.45 H new ATOM 623 N TYR A 41 3.993 15.503 -20.078 1.00 32.44 N ATOM 624 CA TYR A 41 2.699 14.869 -20.298 1.00 2.00 C ATOM 625 C TYR A 41 1.789 15.766 -21.132 1.00 41.41 C ATOM 626 O TYR A 41 1.540 16.918 -20.778 1.00 14.21 O ATOM 627 CB TYR A 41 2.030 14.549 -18.959 1.00 15.43 C ATOM 628 CG TYR A 41 0.620 14.022 -19.098 1.00 54.44 C ATOM 629 CD1 TYR A 41 -0.458 14.889 -19.224 1.00 25.33 C ATOM 630 CD2 TYR A 41 0.366 12.655 -19.104 1.00 41.53 C ATOM 631 CE1 TYR A 41 -1.748 14.412 -19.349 1.00 70.01 C ATOM 632 CE2 TYR A 41 -0.921 12.169 -19.232 1.00 45.40 C ATOM 633 CZ TYR A 41 -1.975 13.052 -19.354 1.00 12.23 C ATOM 634 OH TYR A 41 -3.258 12.571 -19.480 1.00 63.10 O ATOM 0 H TYR A 41 3.977 16.522 -20.123 1.00 32.44 H new ATOM 0 HA TYR A 41 2.865 13.941 -20.845 1.00 2.00 H new ATOM 0 HB2 TYR A 41 2.633 13.813 -18.428 1.00 15.43 H new ATOM 0 HB3 TYR A 41 2.013 15.450 -18.346 1.00 15.43 H new ATOM 0 HD1 TYR A 41 -0.284 15.955 -19.224 1.00 25.33 H new ATOM 0 HD2 TYR A 41 1.188 11.962 -19.007 1.00 41.53 H new ATOM 0 HE1 TYR A 41 -2.575 15.101 -19.442 1.00 70.01 H new ATOM 0 HE2 TYR A 41 -1.101 11.104 -19.237 1.00 45.40 H new ATOM 0 HH TYR A 41 -3.243 11.591 -19.466 1.00 63.10 H new ATOM 644 N ASN A 42 1.295 15.227 -22.243 1.00 63.30 N ATOM 645 CA ASN A 42 0.413 15.977 -23.129 1.00 5.12 C ATOM 646 C ASN A 42 1.067 17.283 -23.571 1.00 14.11 C ATOM 647 O ASN A 42 0.384 18.256 -23.886 1.00 52.41 O ATOM 648 CB ASN A 42 -0.916 16.271 -22.429 1.00 25.24 C ATOM 649 CG ASN A 42 -2.061 16.438 -23.409 1.00 63.23 C ATOM 650 OD1 ASN A 42 -1.909 16.191 -24.606 1.00 13.23 O ATOM 651 ND2 ASN A 42 -3.215 16.860 -22.905 1.00 73.00 N ATOM 0 H ASN A 42 1.491 14.274 -22.550 1.00 63.30 H new ATOM 0 HA ASN A 42 0.225 15.369 -24.013 1.00 5.12 H new ATOM 0 HB2 ASN A 42 -1.147 15.460 -21.739 1.00 25.24 H new ATOM 0 HB3 ASN A 42 -0.817 17.178 -21.833 1.00 25.24 H new ATOM 0 HD21 ASN A 42 -4.021 16.992 -23.516 1.00 73.00 H new ATOM 0 HD22 ASN A 42 -3.295 17.052 -21.907 1.00 73.00 H new ATOM 658 N GLY A 43 2.396 17.293 -23.594 1.00 25.21 N ATOM 659 CA GLY A 43 3.121 18.484 -23.999 1.00 54.41 C ATOM 660 C GLY A 43 3.288 19.476 -22.867 1.00 31.24 C ATOM 661 O GLY A 43 3.476 20.670 -23.099 1.00 24.20 O ATOM 0 H GLY A 43 2.983 16.499 -23.340 1.00 25.21 H new ATOM 0 HA2 GLY A 43 4.103 18.197 -24.374 1.00 54.41 H new ATOM 0 HA3 GLY A 43 2.593 18.964 -24.823 1.00 54.41 H new ATOM 665 N LYS A 44 3.220 18.982 -21.635 1.00 63.00 N ATOM 666 CA LYS A 44 3.364 19.833 -20.460 1.00 31.34 C ATOM 667 C LYS A 44 4.565 19.404 -19.622 1.00 51.23 C ATOM 668 O LYS A 44 5.299 18.488 -19.995 1.00 62.34 O ATOM 669 CB LYS A 44 2.093 19.784 -19.609 1.00 0.43 C ATOM 670 CG LYS A 44 0.874 20.365 -20.305 1.00 4.11 C ATOM 671 CD LYS A 44 -0.060 21.045 -19.317 1.00 41.23 C ATOM 672 CE LYS A 44 -0.668 22.310 -19.904 1.00 75.42 C ATOM 673 NZ LYS A 44 -1.038 23.290 -18.846 1.00 62.33 N ATOM 0 H LYS A 44 3.066 17.996 -21.425 1.00 63.00 H new ATOM 0 HA LYS A 44 3.526 20.855 -20.801 1.00 31.34 H new ATOM 0 HB2 LYS A 44 1.887 18.749 -19.337 1.00 0.43 H new ATOM 0 HB3 LYS A 44 2.266 20.329 -18.681 1.00 0.43 H new ATOM 0 HG2 LYS A 44 1.193 21.084 -21.060 1.00 4.11 H new ATOM 0 HG3 LYS A 44 0.339 19.571 -20.826 1.00 4.11 H new ATOM 0 HD2 LYS A 44 -0.855 20.356 -19.033 1.00 41.23 H new ATOM 0 HD3 LYS A 44 0.488 21.292 -18.407 1.00 41.23 H new ATOM 0 HE2 LYS A 44 0.042 22.769 -20.592 1.00 75.42 H new ATOM 0 HE3 LYS A 44 -1.553 22.052 -20.485 1.00 75.42 H new ATOM 0 HZ1 LYS A 44 -1.480 24.123 -19.284 1.00 62.33 H new ATOM 0 HZ2 LYS A 44 -1.709 22.850 -18.185 1.00 62.33 H new ATOM 0 HZ3 LYS A 44 -0.184 23.582 -18.329 1.00 62.33 H new ATOM 687 N LEU A 45 4.758 20.070 -18.489 1.00 31.24 N ATOM 688 CA LEU A 45 5.869 19.757 -17.596 1.00 54.42 C ATOM 689 C LEU A 45 5.454 19.904 -16.137 1.00 63.00 C ATOM 690 O LEU A 45 5.193 21.011 -15.664 1.00 20.42 O ATOM 691 CB LEU A 45 7.061 20.668 -17.895 1.00 43.43 C ATOM 692 CG LEU A 45 7.983 20.219 -19.029 1.00 14.42 C ATOM 693 CD1 LEU A 45 9.102 21.227 -19.240 1.00 4.34 C ATOM 694 CD2 LEU A 45 8.554 18.838 -18.736 1.00 1.21 C ATOM 0 H LEU A 45 4.160 20.830 -18.167 1.00 31.24 H new ATOM 0 HA LEU A 45 6.160 18.721 -17.767 1.00 54.42 H new ATOM 0 HB2 LEU A 45 6.682 21.662 -18.134 1.00 43.43 H new ATOM 0 HB3 LEU A 45 7.656 20.764 -16.987 1.00 43.43 H new ATOM 0 HG LEU A 45 7.397 20.162 -19.946 1.00 14.42 H new ATOM 0 HD11 LEU A 45 9.747 20.890 -20.051 1.00 4.34 H new ATOM 0 HD12 LEU A 45 8.675 22.197 -19.496 1.00 4.34 H new ATOM 0 HD13 LEU A 45 9.687 21.318 -18.325 1.00 4.34 H new ATOM 0 HD21 LEU A 45 9.208 18.534 -19.553 1.00 1.21 H new ATOM 0 HD22 LEU A 45 9.124 18.870 -17.808 1.00 1.21 H new ATOM 0 HD23 LEU A 45 7.739 18.121 -18.637 1.00 1.21 H new ATOM 706 N TYR A 46 5.396 18.784 -15.427 1.00 11.52 N ATOM 707 CA TYR A 46 5.012 18.788 -14.020 1.00 52.23 C ATOM 708 C TYR A 46 6.159 18.300 -13.142 1.00 24.43 C ATOM 709 O TYR A 46 7.034 17.560 -13.594 1.00 44.12 O ATOM 710 CB TYR A 46 3.779 17.909 -13.803 1.00 53.32 C ATOM 711 CG TYR A 46 2.591 18.313 -14.647 1.00 73.24 C ATOM 712 CD1 TYR A 46 1.703 19.288 -14.211 1.00 25.02 C ATOM 713 CD2 TYR A 46 2.358 17.720 -15.882 1.00 0.02 C ATOM 714 CE1 TYR A 46 0.616 19.660 -14.978 1.00 53.41 C ATOM 715 CE2 TYR A 46 1.274 18.087 -16.657 1.00 34.23 C ATOM 716 CZ TYR A 46 0.406 19.055 -16.201 1.00 62.44 C ATOM 717 OH TYR A 46 -0.674 19.424 -16.969 1.00 61.10 O ATOM 0 H TYR A 46 5.610 17.860 -15.803 1.00 11.52 H new ATOM 0 HA TYR A 46 4.773 19.813 -13.738 1.00 52.23 H new ATOM 0 HB2 TYR A 46 4.037 16.874 -14.026 1.00 53.32 H new ATOM 0 HB3 TYR A 46 3.496 17.947 -12.751 1.00 53.32 H new ATOM 0 HD1 TYR A 46 1.865 19.764 -13.255 1.00 25.02 H new ATOM 0 HD2 TYR A 46 3.035 16.960 -16.242 1.00 0.02 H new ATOM 0 HE1 TYR A 46 -0.065 20.419 -14.623 1.00 53.41 H new ATOM 0 HE2 TYR A 46 1.108 17.617 -17.615 1.00 34.23 H new ATOM 0 HH TYR A 46 -0.819 18.757 -17.672 1.00 61.10 H new ATOM 727 N LYS A 47 6.149 18.719 -11.881 1.00 1.13 N ATOM 728 CA LYS A 47 7.186 18.325 -10.934 1.00 32.31 C ATOM 729 C LYS A 47 6.573 17.839 -9.625 1.00 62.10 C ATOM 730 O LYS A 47 5.948 18.611 -8.898 1.00 11.04 O ATOM 731 CB LYS A 47 8.130 19.498 -10.663 1.00 63.22 C ATOM 732 CG LYS A 47 9.082 19.258 -9.504 1.00 61.05 C ATOM 733 CD LYS A 47 10.463 19.827 -9.789 1.00 50.31 C ATOM 734 CE LYS A 47 10.879 20.836 -8.730 1.00 12.01 C ATOM 735 NZ LYS A 47 9.945 21.995 -8.670 1.00 1.25 N ATOM 0 H LYS A 47 5.433 19.332 -11.491 1.00 1.13 H new ATOM 0 HA LYS A 47 7.752 17.505 -11.375 1.00 32.31 H new ATOM 0 HB2 LYS A 47 8.711 19.701 -11.563 1.00 63.22 H new ATOM 0 HB3 LYS A 47 7.538 20.390 -10.457 1.00 63.22 H new ATOM 0 HG2 LYS A 47 8.679 19.715 -8.600 1.00 61.05 H new ATOM 0 HG3 LYS A 47 9.161 18.188 -9.312 1.00 61.05 H new ATOM 0 HD2 LYS A 47 11.191 19.017 -9.827 1.00 50.31 H new ATOM 0 HD3 LYS A 47 10.466 20.304 -10.769 1.00 50.31 H new ATOM 0 HE2 LYS A 47 10.914 20.347 -7.756 1.00 12.01 H new ATOM 0 HE3 LYS A 47 11.887 21.192 -8.944 1.00 12.01 H new ATOM 0 HZ1 LYS A 47 10.263 22.660 -7.936 1.00 1.25 H new ATOM 0 HZ2 LYS A 47 9.931 22.477 -9.591 1.00 1.25 H new ATOM 0 HZ3 LYS A 47 8.988 21.658 -8.441 1.00 1.25 H new ATOM 749 N ALA A 48 6.757 16.556 -9.331 1.00 5.54 N ATOM 750 CA ALA A 48 6.224 15.969 -8.108 1.00 72.31 C ATOM 751 C ALA A 48 6.686 16.746 -6.880 1.00 0.52 C ATOM 752 O ALA A 48 7.884 16.889 -6.636 1.00 65.22 O ATOM 753 CB ALA A 48 6.641 14.509 -7.998 1.00 64.21 C ATOM 0 H ALA A 48 7.271 15.904 -9.923 1.00 5.54 H new ATOM 0 HA ALA A 48 5.136 16.023 -8.152 1.00 72.31 H new ATOM 0 HB1 ALA A 48 6.236 14.083 -7.080 1.00 64.21 H new ATOM 0 HB2 ALA A 48 6.257 13.955 -8.855 1.00 64.21 H new ATOM 0 HB3 ALA A 48 7.729 14.442 -7.980 1.00 64.21 H new ATOM 759 N LYS A 49 5.727 17.248 -6.108 1.00 42.24 N ATOM 760 CA LYS A 49 6.033 18.010 -4.904 1.00 64.24 C ATOM 761 C LYS A 49 6.556 17.097 -3.800 1.00 62.51 C ATOM 762 O LYS A 49 7.576 17.386 -3.173 1.00 73.12 O ATOM 763 CB LYS A 49 4.790 18.757 -4.418 1.00 4.22 C ATOM 764 CG LYS A 49 4.185 19.679 -5.462 1.00 73.32 C ATOM 765 CD LYS A 49 2.889 20.302 -4.973 1.00 52.13 C ATOM 766 CE LYS A 49 2.661 21.673 -5.592 1.00 52.44 C ATOM 767 NZ LYS A 49 1.909 22.576 -4.679 1.00 24.52 N ATOM 0 H LYS A 49 4.730 17.140 -6.296 1.00 42.24 H new ATOM 0 HA LYS A 49 6.810 18.734 -5.150 1.00 64.24 H new ATOM 0 HB2 LYS A 49 4.039 18.031 -4.108 1.00 4.22 H new ATOM 0 HB3 LYS A 49 5.050 19.342 -3.536 1.00 4.22 H new ATOM 0 HG2 LYS A 49 4.897 20.466 -5.710 1.00 73.32 H new ATOM 0 HG3 LYS A 49 3.997 19.119 -6.378 1.00 73.32 H new ATOM 0 HD2 LYS A 49 2.053 19.647 -5.219 1.00 52.13 H new ATOM 0 HD3 LYS A 49 2.914 20.392 -3.887 1.00 52.13 H new ATOM 0 HE2 LYS A 49 3.622 22.124 -5.839 1.00 52.44 H new ATOM 0 HE3 LYS A 49 2.112 21.562 -6.527 1.00 52.44 H new ATOM 0 HZ1 LYS A 49 1.774 23.500 -5.138 1.00 24.52 H new ATOM 0 HZ2 LYS A 49 0.981 22.158 -4.464 1.00 24.52 H new ATOM 0 HZ3 LYS A 49 2.445 22.702 -3.797 1.00 24.52 H new ATOM 781 N TYR A 50 5.853 15.995 -3.568 1.00 25.20 N ATOM 782 CA TYR A 50 6.245 15.040 -2.539 1.00 70.42 C ATOM 783 C TYR A 50 6.005 13.607 -3.004 1.00 5.45 C ATOM 784 O TYR A 50 5.399 13.377 -4.050 1.00 14.42 O ATOM 785 CB TYR A 50 5.472 15.305 -1.246 1.00 34.52 C ATOM 786 CG TYR A 50 4.042 14.814 -1.285 1.00 24.54 C ATOM 787 CD1 TYR A 50 3.130 15.342 -2.189 1.00 5.45 C ATOM 788 CD2 TYR A 50 3.605 13.822 -0.416 1.00 33.14 C ATOM 789 CE1 TYR A 50 1.823 14.897 -2.226 1.00 51.30 C ATOM 790 CE2 TYR A 50 2.300 13.369 -0.447 1.00 0.02 C ATOM 791 CZ TYR A 50 1.412 13.911 -1.354 1.00 72.31 C ATOM 792 OH TYR A 50 0.112 13.464 -1.389 1.00 1.44 O ATOM 0 H TYR A 50 5.008 15.741 -4.079 1.00 25.20 H new ATOM 0 HA TYR A 50 7.311 15.167 -2.350 1.00 70.42 H new ATOM 0 HB2 TYR A 50 5.990 14.823 -0.417 1.00 34.52 H new ATOM 0 HB3 TYR A 50 5.474 16.376 -1.044 1.00 34.52 H new ATOM 0 HD1 TYR A 50 3.448 16.114 -2.875 1.00 5.45 H new ATOM 0 HD2 TYR A 50 4.297 13.398 0.296 1.00 33.14 H new ATOM 0 HE1 TYR A 50 1.126 15.319 -2.935 1.00 51.30 H new ATOM 0 HE2 TYR A 50 1.977 12.596 0.234 1.00 0.02 H new ATOM 0 HH TYR A 50 -0.341 13.838 -2.173 1.00 1.44 H new ATOM 802 N TRP A 51 6.483 12.649 -2.219 1.00 2.03 N ATOM 803 CA TRP A 51 6.320 11.238 -2.549 1.00 53.24 C ATOM 804 C TRP A 51 4.865 10.920 -2.877 1.00 24.30 C ATOM 805 O TRP A 51 3.993 10.991 -2.011 1.00 5.30 O ATOM 806 CB TRP A 51 6.797 10.363 -1.389 1.00 43.23 C ATOM 807 CG TRP A 51 7.504 9.119 -1.835 1.00 63.15 C ATOM 808 CD1 TRP A 51 8.764 9.035 -2.356 1.00 25.44 C ATOM 809 CD2 TRP A 51 6.992 7.783 -1.801 1.00 1.22 C ATOM 810 NE1 TRP A 51 9.065 7.726 -2.647 1.00 52.14 N ATOM 811 CE2 TRP A 51 7.995 6.939 -2.317 1.00 25.25 C ATOM 812 CE3 TRP A 51 5.784 7.216 -1.385 1.00 64.13 C ATOM 813 CZ2 TRP A 51 7.825 5.561 -2.425 1.00 43.43 C ATOM 814 CZ3 TRP A 51 5.617 5.849 -1.494 1.00 44.53 C ATOM 815 CH2 TRP A 51 6.632 5.034 -2.010 1.00 5.12 C ATOM 0 H TRP A 51 6.987 12.823 -1.349 1.00 2.03 H new ATOM 0 HA TRP A 51 6.926 11.024 -3.429 1.00 53.24 H new ATOM 0 HB2 TRP A 51 7.466 10.945 -0.755 1.00 43.23 H new ATOM 0 HB3 TRP A 51 5.939 10.085 -0.776 1.00 43.23 H new ATOM 0 HD1 TRP A 51 9.426 9.873 -2.516 1.00 25.44 H new ATOM 0 HE1 TRP A 51 9.944 7.395 -3.045 1.00 52.14 H new ATOM 0 HE3 TRP A 51 4.995 7.836 -0.985 1.00 64.13 H new ATOM 0 HZ2 TRP A 51 8.607 4.931 -2.822 1.00 43.43 H new ATOM 0 HZ3 TRP A 51 4.687 5.401 -1.176 1.00 44.53 H new ATOM 0 HH2 TRP A 51 6.470 3.969 -2.082 1.00 5.12 H new ATOM 826 N THR A 52 4.609 10.569 -4.134 1.00 20.43 N ATOM 827 CA THR A 52 3.260 10.241 -4.575 1.00 3.51 C ATOM 828 C THR A 52 3.285 9.441 -5.872 1.00 42.30 C ATOM 829 O THR A 52 4.217 9.559 -6.669 1.00 0.04 O ATOM 830 CB THR A 52 2.413 11.512 -4.785 1.00 13.42 C ATOM 831 OG1 THR A 52 2.543 12.379 -3.653 1.00 11.30 O ATOM 832 CG2 THR A 52 0.948 11.157 -4.993 1.00 24.13 C ATOM 0 H THR A 52 5.319 10.505 -4.864 1.00 20.43 H new ATOM 0 HA THR A 52 2.808 9.638 -3.788 1.00 3.51 H new ATOM 0 HB THR A 52 2.777 12.022 -5.677 1.00 13.42 H new ATOM 0 HG1 THR A 52 1.691 12.834 -3.490 1.00 11.30 H new ATOM 0 HG21 THR A 52 0.370 12.069 -5.139 1.00 24.13 H new ATOM 0 HG22 THR A 52 0.849 10.520 -5.872 1.00 24.13 H new ATOM 0 HG23 THR A 52 0.574 10.627 -4.117 1.00 24.13 H new ATOM 840 N THR A 53 2.254 8.628 -6.081 1.00 31.34 N ATOM 841 CA THR A 53 2.159 7.807 -7.281 1.00 55.20 C ATOM 842 C THR A 53 0.803 7.978 -7.958 1.00 60.12 C ATOM 843 O THR A 53 -0.216 7.504 -7.456 1.00 44.34 O ATOM 844 CB THR A 53 2.375 6.316 -6.961 1.00 55.42 C ATOM 845 OG1 THR A 53 1.298 5.826 -6.155 1.00 52.13 O ATOM 846 CG2 THR A 53 3.695 6.104 -6.237 1.00 14.21 C ATOM 0 H THR A 53 1.473 8.521 -5.434 1.00 31.34 H new ATOM 0 HA THR A 53 2.945 8.143 -7.957 1.00 55.20 H new ATOM 0 HB THR A 53 2.402 5.766 -7.902 1.00 55.42 H new ATOM 0 HG1 THR A 53 0.470 6.291 -6.398 1.00 52.13 H new ATOM 0 HG21 THR A 53 3.826 5.044 -6.022 1.00 14.21 H new ATOM 0 HG22 THR A 53 4.515 6.450 -6.866 1.00 14.21 H new ATOM 0 HG23 THR A 53 3.692 6.666 -5.303 1.00 14.21 H new ATOM 854 N SER A 54 0.799 8.658 -9.100 1.00 44.34 N ATOM 855 CA SER A 54 -0.433 8.896 -9.844 1.00 35.34 C ATOM 856 C SER A 54 -0.166 9.751 -11.078 1.00 72.43 C ATOM 857 O SER A 54 0.756 10.567 -11.112 1.00 44.32 O ATOM 858 CB SER A 54 -1.470 9.579 -8.950 1.00 50.44 C ATOM 859 OG SER A 54 -2.365 10.365 -9.718 1.00 11.42 O ATOM 0 H SER A 54 1.635 9.054 -9.530 1.00 44.34 H new ATOM 0 HA SER A 54 -0.824 7.932 -10.170 1.00 35.34 H new ATOM 0 HB2 SER A 54 -2.028 8.826 -8.393 1.00 50.44 H new ATOM 0 HB3 SER A 54 -0.965 10.208 -8.217 1.00 50.44 H new ATOM 0 HG SER A 54 -3.019 10.790 -9.125 1.00 11.42 H new ATOM 865 N PRO A 55 -0.991 9.562 -12.119 1.00 33.21 N ATOM 866 CA PRO A 55 -0.865 10.306 -13.375 1.00 30.22 C ATOM 867 C PRO A 55 -1.241 11.775 -13.218 1.00 40.32 C ATOM 868 O PRO A 55 -2.007 12.153 -12.332 1.00 22.21 O ATOM 869 CB PRO A 55 -1.850 9.598 -14.307 1.00 52.12 C ATOM 870 CG PRO A 55 -2.857 8.983 -13.398 1.00 31.21 C ATOM 871 CD PRO A 55 -2.110 8.606 -12.149 1.00 5.24 C ATOM 0 HA PRO A 55 0.161 10.313 -13.744 1.00 30.22 H new ATOM 0 HB2 PRO A 55 -2.317 10.301 -14.997 1.00 52.12 H new ATOM 0 HB3 PRO A 55 -1.349 8.842 -14.912 1.00 52.12 H new ATOM 0 HG2 PRO A 55 -3.661 9.684 -13.175 1.00 31.21 H new ATOM 0 HG3 PRO A 55 -3.315 8.108 -13.858 1.00 31.21 H new ATOM 0 HD2 PRO A 55 -2.738 8.695 -11.263 1.00 5.24 H new ATOM 0 HD3 PRO A 55 -1.757 7.575 -12.187 1.00 5.24 H new ATOM 879 N PRO A 56 -0.692 12.626 -14.099 1.00 11.45 N ATOM 880 CA PRO A 56 -0.959 14.067 -14.080 1.00 23.52 C ATOM 881 C PRO A 56 -2.386 14.400 -14.500 1.00 35.03 C ATOM 882 O PRO A 56 -2.888 13.877 -15.496 1.00 62.42 O ATOM 883 CB PRO A 56 0.042 14.625 -15.094 1.00 42.43 C ATOM 884 CG PRO A 56 0.317 13.490 -16.019 1.00 65.24 C ATOM 885 CD PRO A 56 0.229 12.244 -15.183 1.00 3.42 C ATOM 0 HA PRO A 56 -0.854 14.488 -13.080 1.00 23.52 H new ATOM 0 HB2 PRO A 56 -0.371 15.480 -15.629 1.00 42.43 H new ATOM 0 HB3 PRO A 56 0.954 14.966 -14.604 1.00 42.43 H new ATOM 0 HG2 PRO A 56 -0.407 13.466 -16.833 1.00 65.24 H new ATOM 0 HG3 PRO A 56 1.303 13.587 -16.473 1.00 65.24 H new ATOM 0 HD2 PRO A 56 -0.154 11.401 -15.758 1.00 3.42 H new ATOM 0 HD3 PRO A 56 1.205 11.949 -14.796 1.00 3.42 H new ATOM 893 N SER A 57 -3.036 15.270 -13.735 1.00 24.52 N ATOM 894 CA SER A 57 -4.407 15.670 -14.026 1.00 11.43 C ATOM 895 C SER A 57 -4.942 16.605 -12.945 1.00 41.45 C ATOM 896 O SER A 57 -5.154 17.794 -13.188 1.00 20.25 O ATOM 897 CB SER A 57 -5.307 14.437 -14.140 1.00 52.13 C ATOM 898 OG SER A 57 -5.715 14.226 -15.480 1.00 2.20 O ATOM 0 H SER A 57 -2.635 15.712 -12.908 1.00 24.52 H new ATOM 0 HA SER A 57 -4.409 16.203 -14.977 1.00 11.43 H new ATOM 0 HB2 SER A 57 -4.774 13.559 -13.776 1.00 52.13 H new ATOM 0 HB3 SER A 57 -6.184 14.563 -13.505 1.00 52.13 H new ATOM 0 HG SER A 57 -4.929 14.040 -16.036 1.00 2.20 H new ATOM 904 N ASP A 58 -5.159 16.060 -11.754 1.00 31.24 N ATOM 905 CA ASP A 58 -5.668 16.844 -10.635 1.00 11.53 C ATOM 906 C ASP A 58 -4.974 16.450 -9.335 1.00 2.03 C ATOM 907 O ASP A 58 -5.092 15.314 -8.876 1.00 42.40 O ATOM 908 CB ASP A 58 -7.180 16.655 -10.498 1.00 23.14 C ATOM 909 CG ASP A 58 -7.856 17.848 -9.851 1.00 55.33 C ATOM 910 OD1 ASP A 58 -7.281 18.409 -8.895 1.00 3.21 O ATOM 911 OD2 ASP A 58 -8.960 18.220 -10.302 1.00 32.33 O ATOM 0 H ASP A 58 -4.990 15.078 -11.538 1.00 31.24 H new ATOM 0 HA ASP A 58 -5.457 17.895 -10.834 1.00 11.53 H new ATOM 0 HB2 ASP A 58 -7.613 16.486 -11.484 1.00 23.14 H new ATOM 0 HB3 ASP A 58 -7.379 15.762 -9.905 1.00 23.14 H new ATOM 916 N ASP A 59 -4.249 17.396 -8.748 1.00 23.44 N ATOM 917 CA ASP A 59 -3.535 17.149 -7.500 1.00 54.52 C ATOM 918 C ASP A 59 -4.182 17.907 -6.345 1.00 61.32 C ATOM 919 O ASP A 59 -3.743 18.990 -5.959 1.00 43.23 O ATOM 920 CB ASP A 59 -2.068 17.557 -7.638 1.00 35.13 C ATOM 921 CG ASP A 59 -1.879 18.729 -8.579 1.00 54.45 C ATOM 922 OD1 ASP A 59 -1.803 18.500 -9.805 1.00 53.13 O ATOM 923 OD2 ASP A 59 -1.809 19.876 -8.093 1.00 43.20 O ATOM 0 H ASP A 59 -4.140 18.341 -9.116 1.00 23.44 H new ATOM 0 HA ASP A 59 -3.588 16.082 -7.284 1.00 54.52 H new ATOM 0 HB2 ASP A 59 -1.672 17.816 -6.656 1.00 35.13 H new ATOM 0 HB3 ASP A 59 -1.490 16.707 -8.001 1.00 35.13 H new ATOM 928 N PRO A 60 -5.249 17.325 -5.779 1.00 21.14 N ATOM 929 CA PRO A 60 -5.979 17.930 -4.660 1.00 33.04 C ATOM 930 C PRO A 60 -5.168 17.923 -3.368 1.00 24.41 C ATOM 931 O PRO A 60 -5.529 18.583 -2.393 1.00 43.31 O ATOM 932 CB PRO A 60 -7.214 17.037 -4.519 1.00 42.42 C ATOM 933 CG PRO A 60 -6.799 15.722 -5.082 1.00 30.12 C ATOM 934 CD PRO A 60 -5.826 16.034 -6.186 1.00 11.01 C ATOM 0 HA PRO A 60 -6.212 18.979 -4.845 1.00 33.04 H new ATOM 0 HB2 PRO A 60 -7.517 16.943 -3.476 1.00 42.42 H new ATOM 0 HB3 PRO A 60 -8.064 17.449 -5.062 1.00 42.42 H new ATOM 0 HG2 PRO A 60 -6.335 15.099 -4.317 1.00 30.12 H new ATOM 0 HG3 PRO A 60 -7.659 15.172 -5.463 1.00 30.12 H new ATOM 0 HD2 PRO A 60 -5.061 15.263 -6.277 1.00 11.01 H new ATOM 0 HD3 PRO A 60 -6.324 16.104 -7.153 1.00 11.01 H new ATOM 942 N TYR A 61 -4.070 17.174 -3.368 1.00 3.05 N ATOM 943 CA TYR A 61 -3.209 17.081 -2.195 1.00 4.42 C ATOM 944 C TYR A 61 -1.851 17.721 -2.464 1.00 35.22 C ATOM 945 O TYR A 61 -1.009 17.815 -1.572 1.00 73.44 O ATOM 946 CB TYR A 61 -3.026 15.619 -1.787 1.00 30.52 C ATOM 947 CG TYR A 61 -3.261 14.641 -2.915 1.00 34.22 C ATOM 948 CD1 TYR A 61 -2.300 14.439 -3.898 1.00 64.51 C ATOM 949 CD2 TYR A 61 -4.444 13.916 -2.997 1.00 75.55 C ATOM 950 CE1 TYR A 61 -2.510 13.548 -4.932 1.00 31.33 C ATOM 951 CE2 TYR A 61 -4.662 13.020 -4.027 1.00 24.24 C ATOM 952 CZ TYR A 61 -3.693 12.840 -4.991 1.00 22.04 C ATOM 953 OH TYR A 61 -3.906 11.949 -6.019 1.00 5.14 O ATOM 0 H TYR A 61 -3.756 16.623 -4.167 1.00 3.05 H new ATOM 0 HA TYR A 61 -3.689 17.621 -1.379 1.00 4.42 H new ATOM 0 HB2 TYR A 61 -2.015 15.482 -1.403 1.00 30.52 H new ATOM 0 HB3 TYR A 61 -3.711 15.390 -0.970 1.00 30.52 H new ATOM 0 HD1 TYR A 61 -1.372 14.989 -3.853 1.00 64.51 H new ATOM 0 HD2 TYR A 61 -5.205 14.055 -2.244 1.00 75.55 H new ATOM 0 HE1 TYR A 61 -1.753 13.406 -5.689 1.00 31.33 H new ATOM 0 HE2 TYR A 61 -5.587 12.464 -4.076 1.00 24.24 H new ATOM 0 HH TYR A 61 -4.787 11.532 -5.914 1.00 5.14 H new ATOM 963 N GLY A 62 -1.645 18.158 -3.703 1.00 45.42 N ATOM 964 CA GLY A 62 -0.388 18.784 -4.069 1.00 65.15 C ATOM 965 C GLY A 62 0.703 17.771 -4.352 1.00 72.22 C ATOM 966 O GLY A 62 1.809 17.875 -3.822 1.00 43.34 O ATOM 0 H GLY A 62 -2.326 18.090 -4.459 1.00 45.42 H new ATOM 0 HA2 GLY A 62 -0.539 19.407 -4.951 1.00 65.15 H new ATOM 0 HA3 GLY A 62 -0.066 19.444 -3.264 1.00 65.15 H new ATOM 970 N SER A 63 0.392 16.786 -5.189 1.00 5.44 N ATOM 971 CA SER A 63 1.352 15.746 -5.537 1.00 31.54 C ATOM 972 C SER A 63 2.183 16.157 -6.749 1.00 13.04 C ATOM 973 O SER A 63 3.212 15.549 -7.045 1.00 42.43 O ATOM 974 CB SER A 63 0.629 14.428 -5.823 1.00 60.12 C ATOM 975 OG SER A 63 1.404 13.593 -6.665 1.00 24.41 O ATOM 0 H SER A 63 -0.518 16.687 -5.639 1.00 5.44 H new ATOM 0 HA SER A 63 2.022 15.607 -4.689 1.00 31.54 H new ATOM 0 HB2 SER A 63 0.422 13.912 -4.885 1.00 60.12 H new ATOM 0 HB3 SER A 63 -0.333 14.632 -6.294 1.00 60.12 H new ATOM 0 HG SER A 63 1.261 13.849 -7.600 1.00 24.41 H new ATOM 981 N TRP A 64 1.728 17.191 -7.446 1.00 64.12 N ATOM 982 CA TRP A 64 2.427 17.685 -8.627 1.00 30.35 C ATOM 983 C TRP A 64 2.488 19.208 -8.627 1.00 42.44 C ATOM 984 O TRP A 64 1.654 19.871 -8.012 1.00 22.43 O ATOM 985 CB TRP A 64 1.737 17.189 -9.899 1.00 2.23 C ATOM 986 CG TRP A 64 2.066 15.767 -10.237 1.00 1.02 C ATOM 987 CD1 TRP A 64 1.286 14.669 -10.009 1.00 74.24 C ATOM 988 CD2 TRP A 64 3.262 15.290 -10.863 1.00 72.42 C ATOM 989 NE1 TRP A 64 1.927 13.538 -10.456 1.00 54.00 N ATOM 990 CE2 TRP A 64 3.140 13.891 -10.985 1.00 64.51 C ATOM 991 CE3 TRP A 64 4.424 15.908 -11.333 1.00 12.40 C ATOM 992 CZ2 TRP A 64 4.136 13.104 -11.556 1.00 64.51 C ATOM 993 CZ3 TRP A 64 5.412 15.125 -11.901 1.00 31.34 C ATOM 994 CH2 TRP A 64 5.262 13.735 -12.008 1.00 61.24 C ATOM 0 H TRP A 64 0.878 17.704 -7.214 1.00 64.12 H new ATOM 0 HA TRP A 64 3.446 17.300 -8.602 1.00 30.35 H new ATOM 0 HB2 TRP A 64 0.658 17.286 -9.780 1.00 2.23 H new ATOM 0 HB3 TRP A 64 2.025 17.829 -10.733 1.00 2.23 H new ATOM 0 HD1 TRP A 64 0.310 14.687 -9.546 1.00 74.24 H new ATOM 0 HE1 TRP A 64 1.558 12.588 -10.402 1.00 54.00 H new ATOM 0 HE3 TRP A 64 4.548 16.978 -11.254 1.00 12.40 H new ATOM 0 HZ2 TRP A 64 4.024 12.033 -11.639 1.00 64.51 H new ATOM 0 HZ3 TRP A 64 6.314 15.592 -12.268 1.00 31.34 H new ATOM 0 HH2 TRP A 64 6.052 13.151 -12.457 1.00 61.24 H new ATOM 1005 N GLU A 65 3.480 19.757 -9.321 1.00 42.53 N ATOM 1006 CA GLU A 65 3.647 21.203 -9.401 1.00 25.42 C ATOM 1007 C GLU A 65 3.993 21.634 -10.823 1.00 61.21 C ATOM 1008 O GLU A 65 5.127 21.470 -11.275 1.00 2.53 O ATOM 1009 CB GLU A 65 4.741 21.666 -8.436 1.00 74.24 C ATOM 1010 CG GLU A 65 4.936 23.172 -8.412 1.00 52.31 C ATOM 1011 CD GLU A 65 6.054 23.602 -7.483 1.00 3.21 C ATOM 1012 OE1 GLU A 65 6.721 22.716 -6.909 1.00 72.12 O ATOM 1013 OE2 GLU A 65 6.261 24.823 -7.328 1.00 24.50 O ATOM 0 H GLU A 65 4.180 19.222 -9.836 1.00 42.53 H new ATOM 0 HA GLU A 65 2.702 21.668 -9.119 1.00 25.42 H new ATOM 0 HB2 GLU A 65 4.495 21.324 -7.431 1.00 74.24 H new ATOM 0 HB3 GLU A 65 5.682 21.191 -8.713 1.00 74.24 H new ATOM 0 HG2 GLU A 65 5.153 23.522 -9.421 1.00 52.31 H new ATOM 0 HG3 GLU A 65 4.007 23.650 -8.101 1.00 52.31 H new ATOM 1020 N TYR A 66 3.008 22.186 -11.524 1.00 42.10 N ATOM 1021 CA TYR A 66 3.206 22.638 -12.896 1.00 31.13 C ATOM 1022 C TYR A 66 4.227 23.770 -12.955 1.00 23.45 C ATOM 1023 O TYR A 66 3.979 24.872 -12.463 1.00 41.21 O ATOM 1024 CB TYR A 66 1.879 23.101 -13.498 1.00 52.23 C ATOM 1025 CG TYR A 66 2.041 23.937 -14.748 1.00 23.31 C ATOM 1026 CD1 TYR A 66 2.161 25.319 -14.671 1.00 64.14 C ATOM 1027 CD2 TYR A 66 2.073 23.346 -16.005 1.00 23.31 C ATOM 1028 CE1 TYR A 66 2.309 26.088 -15.810 1.00 4.24 C ATOM 1029 CE2 TYR A 66 2.221 24.107 -17.149 1.00 21.15 C ATOM 1030 CZ TYR A 66 2.338 25.477 -17.045 1.00 54.23 C ATOM 1031 OH TYR A 66 2.484 26.239 -18.182 1.00 35.21 O ATOM 0 H TYR A 66 2.065 22.331 -11.164 1.00 42.10 H new ATOM 0 HA TYR A 66 3.588 21.799 -13.477 1.00 31.13 H new ATOM 0 HB2 TYR A 66 1.271 22.227 -13.732 1.00 52.23 H new ATOM 0 HB3 TYR A 66 1.333 23.679 -12.752 1.00 52.23 H new ATOM 0 HD1 TYR A 66 2.138 25.801 -13.705 1.00 64.14 H new ATOM 0 HD2 TYR A 66 1.981 22.273 -16.090 1.00 23.31 H new ATOM 0 HE1 TYR A 66 2.401 27.161 -15.733 1.00 4.24 H new ATOM 0 HE2 TYR A 66 2.245 23.632 -18.118 1.00 21.15 H new ATOM 0 HH TYR A 66 2.486 25.655 -18.969 1.00 35.21 H new ATOM 1041 N LEU A 67 5.376 23.491 -13.559 1.00 73.13 N ATOM 1042 CA LEU A 67 6.436 24.485 -13.684 1.00 61.50 C ATOM 1043 C LEU A 67 6.441 25.104 -15.078 1.00 62.13 C ATOM 1044 O LEU A 67 6.788 26.272 -15.248 1.00 75.34 O ATOM 1045 CB LEU A 67 7.796 23.849 -13.391 1.00 72.21 C ATOM 1046 CG LEU A 67 7.827 22.822 -12.258 1.00 75.45 C ATOM 1047 CD1 LEU A 67 9.203 22.182 -12.156 1.00 12.15 C ATOM 1048 CD2 LEU A 67 7.441 23.474 -10.938 1.00 12.53 C ATOM 0 H LEU A 67 5.598 22.584 -13.970 1.00 73.13 H new ATOM 0 HA LEU A 67 6.247 25.275 -12.957 1.00 61.50 H new ATOM 0 HB2 LEU A 67 8.153 23.367 -14.301 1.00 72.21 H new ATOM 0 HB3 LEU A 67 8.503 24.644 -13.153 1.00 72.21 H new ATOM 0 HG LEU A 67 7.101 22.040 -12.481 1.00 75.45 H new ATOM 0 HD11 LEU A 67 9.206 21.454 -11.345 1.00 12.15 H new ATOM 0 HD12 LEU A 67 9.442 21.681 -13.094 1.00 12.15 H new ATOM 0 HD13 LEU A 67 9.948 22.952 -11.956 1.00 12.15 H new ATOM 0 HD21 LEU A 67 7.468 22.729 -10.143 1.00 12.53 H new ATOM 0 HD22 LEU A 67 8.143 24.275 -10.709 1.00 12.53 H new ATOM 0 HD23 LEU A 67 6.434 23.885 -11.016 1.00 12.53 H new ATOM 1060 N GLY A 68 6.051 24.313 -16.073 1.00 30.10 N ATOM 1061 CA GLY A 68 6.015 24.802 -17.439 1.00 75.42 C ATOM 1062 C GLY A 68 5.422 23.791 -18.401 1.00 72.41 C ATOM 1063 O GLY A 68 4.706 22.879 -17.989 1.00 72.43 O ATOM 0 H GLY A 68 5.759 23.342 -15.957 1.00 30.10 H new ATOM 0 HA2 GLY A 68 5.431 25.721 -17.477 1.00 75.42 H new ATOM 0 HA3 GLY A 68 7.026 25.053 -17.759 1.00 75.42 H new ATOM 1067 N GLU A 69 5.720 23.954 -19.686 1.00 41.43 N ATOM 1068 CA GLU A 69 5.209 23.050 -20.709 1.00 10.10 C ATOM 1069 C GLU A 69 6.337 22.548 -21.605 1.00 71.22 C ATOM 1070 O GLU A 69 7.397 23.167 -21.691 1.00 11.31 O ATOM 1071 CB GLU A 69 4.144 23.751 -21.555 1.00 1.23 C ATOM 1072 CG GLU A 69 2.732 23.256 -21.288 1.00 52.40 C ATOM 1073 CD GLU A 69 1.672 24.213 -21.797 1.00 42.53 C ATOM 1074 OE1 GLU A 69 1.748 25.414 -21.465 1.00 52.44 O ATOM 1075 OE2 GLU A 69 0.766 23.760 -22.529 1.00 21.11 O ATOM 0 H GLU A 69 6.313 24.704 -20.043 1.00 41.43 H new ATOM 0 HA GLU A 69 4.759 22.193 -20.208 1.00 10.10 H new ATOM 0 HB2 GLU A 69 4.187 24.823 -21.363 1.00 1.23 H new ATOM 0 HB3 GLU A 69 4.377 23.607 -22.610 1.00 1.23 H new ATOM 0 HG2 GLU A 69 2.596 22.284 -21.762 1.00 52.40 H new ATOM 0 HG3 GLU A 69 2.599 23.109 -20.216 1.00 52.40 H new ATOM 1082 N ALA A 70 6.100 21.423 -22.271 1.00 34.13 N ATOM 1083 CA ALA A 70 7.094 20.838 -23.162 1.00 32.53 C ATOM 1084 C ALA A 70 7.337 21.730 -24.374 1.00 73.33 C ATOM 1085 O ALA A 70 8.470 21.876 -24.831 1.00 41.03 O ATOM 1086 CB ALA A 70 6.656 19.450 -23.604 1.00 14.14 C ATOM 0 H ALA A 70 5.228 20.898 -22.210 1.00 34.13 H new ATOM 0 HA ALA A 70 8.032 20.752 -22.613 1.00 32.53 H new ATOM 0 HB1 ALA A 70 7.408 19.026 -24.269 1.00 14.14 H new ATOM 0 HB2 ALA A 70 6.541 18.809 -22.730 1.00 14.14 H new ATOM 0 HB3 ALA A 70 5.704 19.519 -24.130 1.00 14.14 H new ATOM 1092 N GLU A 71 6.266 22.323 -24.890 1.00 41.21 N ATOM 1093 CA GLU A 71 6.364 23.201 -26.051 1.00 15.22 C ATOM 1094 C GLU A 71 6.109 24.653 -25.659 1.00 40.50 C ATOM 1095 O GLU A 71 4.978 25.063 -25.402 1.00 2.21 O ATOM 1096 CB GLU A 71 5.367 22.769 -27.129 1.00 42.21 C ATOM 1097 CG GLU A 71 6.012 22.052 -28.303 1.00 71.44 C ATOM 1098 CD GLU A 71 5.096 21.963 -29.508 1.00 11.43 C ATOM 1099 OE1 GLU A 71 3.922 21.571 -29.334 1.00 72.25 O ATOM 1100 OE2 GLU A 71 5.552 22.287 -30.625 1.00 14.44 O ATOM 0 H GLU A 71 5.321 22.212 -24.523 1.00 41.21 H new ATOM 0 HA GLU A 71 7.376 23.124 -26.449 1.00 15.22 H new ATOM 0 HB2 GLU A 71 4.620 22.114 -26.680 1.00 42.21 H new ATOM 0 HB3 GLU A 71 4.839 23.649 -27.497 1.00 42.21 H new ATOM 0 HG2 GLU A 71 6.927 22.574 -28.585 1.00 71.44 H new ATOM 0 HG3 GLU A 71 6.300 21.047 -27.996 1.00 71.44 H new ATOM 1107 N PRO A 72 7.187 25.449 -25.612 1.00 45.05 N ATOM 1108 CA PRO A 72 7.106 26.868 -25.253 1.00 61.35 C ATOM 1109 C PRO A 72 6.416 27.701 -26.328 1.00 73.44 C ATOM 1110 O PRO A 72 6.584 27.454 -27.523 1.00 5.41 O ATOM 1111 CB PRO A 72 8.574 27.283 -25.116 1.00 22.24 C ATOM 1112 CG PRO A 72 9.320 26.326 -25.980 1.00 44.32 C ATOM 1113 CD PRO A 72 8.566 25.028 -25.907 1.00 72.03 C ATOM 0 HA PRO A 72 6.517 27.026 -24.350 1.00 61.35 H new ATOM 0 HB2 PRO A 72 8.727 28.312 -25.441 1.00 22.24 H new ATOM 0 HB3 PRO A 72 8.907 27.224 -24.080 1.00 22.24 H new ATOM 0 HG2 PRO A 72 9.375 26.688 -27.007 1.00 44.32 H new ATOM 0 HG3 PRO A 72 10.345 26.202 -25.631 1.00 44.32 H new ATOM 0 HD2 PRO A 72 8.625 24.476 -26.845 1.00 72.03 H new ATOM 0 HD3 PRO A 72 8.962 24.377 -25.128 1.00 72.03 H new ATOM 1121 N THR A 73 5.639 28.690 -25.897 1.00 24.10 N ATOM 1122 CA THR A 73 4.923 29.558 -26.822 1.00 62.14 C ATOM 1123 C THR A 73 5.410 30.999 -26.713 1.00 4.14 C ATOM 1124 O THR A 73 5.647 31.664 -27.722 1.00 35.23 O ATOM 1125 CB THR A 73 3.405 29.521 -26.567 1.00 5.42 C ATOM 1126 OG1 THR A 73 3.106 28.588 -25.521 1.00 53.44 O ATOM 1127 CG2 THR A 73 2.653 29.131 -27.831 1.00 52.02 C ATOM 0 H THR A 73 5.490 28.909 -24.912 1.00 24.10 H new ATOM 0 HA THR A 73 5.124 29.184 -27.826 1.00 62.14 H new ATOM 0 HB THR A 73 3.085 30.519 -26.266 1.00 5.42 H new ATOM 0 HG1 THR A 73 2.139 28.572 -25.364 1.00 53.44 H new ATOM 0 HG21 THR A 73 1.583 29.112 -27.626 1.00 52.02 H new ATOM 0 HG22 THR A 73 2.859 29.859 -28.616 1.00 52.02 H new ATOM 0 HG23 THR A 73 2.978 28.143 -28.157 1.00 52.02 H new TER 1135 THR A 73