USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot -117:sc= 1.18 USER MOD Set 1.2: A 81 CYS SG : rot -101:sc= 1.03 USER MOD Set 2.1: A 70 SER OG : rot -157:sc= 1.32 USER MOD Set 2.2: A 80 GLN : amide:sc= 0.675 K(o=2,f=0.59) USER MOD Set 3.1: A 11 ASN : amide:sc= -3.89! C(o=-3.9!,f=-5.6!) USER MOD Set 3.2: A 17 HIS : no HD1:sc= -1.18! C(o=-3.9!,f=-10!) USER MOD Set 3.3: A 36 SER OG : rot 128:sc= 1.21 USER MOD Set 4.1: A 13 GLN : amide:sc= 0.754 K(o=2.4,f=-5.4!) USER MOD Set 4.2: A 86 LYS NZ :NH3+ 152:sc= 1.61 (180deg=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0214 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 45:sc= -0.905 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.106 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.56 K(o=1.6,f=-0.029) USER MOD Single : A 20 MET CE :methyl 169:sc= -0.551 (180deg=-0.934) USER MOD Single : A 22 CYS SG : rot 76:sc= -1.32 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.619) USER MOD Single : A 30 MET CE :methyl -166:sc= 0 (180deg=-0.576) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 2.28 (180deg=2.15) USER MOD Single : A 47 SER OG : rot -88:sc= 1.28 USER MOD Single : A 50 GLN : amide:sc= 1.85 K(o=1.8,f=-11!) USER MOD Single : A 51 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= -0.521 USER MOD Single : A 57 ASN : amide:sc= 1.19 K(o=1.2,f=-0.031) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 18:sc= 0.832 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00622 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 17:sc= 0.926 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.133 -0.778 -1.219 1.00 0.00 N ATOM 2 CA MET A 1 3.002 -0.358 -2.344 1.00 0.00 C ATOM 3 C MET A 1 4.247 0.349 -1.803 1.00 0.00 C ATOM 4 O MET A 1 4.162 1.127 -0.851 1.00 0.00 O ATOM 5 CB MET A 1 2.238 0.538 -3.345 1.00 0.00 C ATOM 6 CG MET A 1 3.041 0.869 -4.613 1.00 0.00 C ATOM 7 SD MET A 1 3.582 -0.561 -5.588 1.00 0.00 S ATOM 8 CE MET A 1 4.411 0.312 -6.945 1.00 0.00 C ATOM 0 H1 MET A 1 1.136 -0.632 -1.477 1.00 0.00 H new ATOM 0 H2 MET A 1 2.293 -1.785 -1.014 1.00 0.00 H new ATOM 0 H3 MET A 1 2.359 -0.212 -0.376 1.00 0.00 H new ATOM 0 HA MET A 1 3.316 -1.248 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.312 0.040 -3.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.960 1.468 -2.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.433 1.512 -5.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.921 1.445 -4.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.812 -0.413 -7.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.695 0.958 -7.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.225 0.917 -6.545 1.00 0.00 H new ATOM 20 N GLU A 2 5.403 0.111 -2.424 1.00 0.00 N ATOM 21 CA GLU A 2 6.650 0.834 -2.195 1.00 0.00 C ATOM 22 C GLU A 2 7.213 1.103 -3.591 1.00 0.00 C ATOM 23 O GLU A 2 6.939 0.338 -4.523 1.00 0.00 O ATOM 24 CB GLU A 2 7.631 0.002 -1.349 1.00 0.00 C ATOM 25 CG GLU A 2 7.102 -0.300 0.061 1.00 0.00 C ATOM 26 CD GLU A 2 8.098 -1.134 0.883 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.212 -2.361 0.654 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.749 -0.572 1.791 1.00 0.00 O ATOM 0 H GLU A 2 5.498 -0.621 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 2 6.488 1.756 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.838 -0.937 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.577 0.537 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.898 0.637 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.156 -0.836 -0.014 1.00 0.00 H new ATOM 35 N TRP A 3 7.981 2.178 -3.750 1.00 0.00 N ATOM 36 CA TRP A 3 8.396 2.675 -5.053 1.00 0.00 C ATOM 37 C TRP A 3 9.916 2.759 -5.119 1.00 0.00 C ATOM 38 O TRP A 3 10.599 2.719 -4.096 1.00 0.00 O ATOM 39 CB TRP A 3 7.754 4.049 -5.321 1.00 0.00 C ATOM 40 CG TRP A 3 6.259 4.125 -5.209 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.569 4.342 -4.068 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.251 4.008 -6.262 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.216 4.355 -4.334 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.959 4.155 -5.673 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.295 3.802 -7.658 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.777 4.087 -6.428 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.117 3.727 -8.426 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.859 3.865 -7.813 1.00 0.00 C ATOM 0 H TRP A 3 8.334 2.731 -2.969 1.00 0.00 H new ATOM 0 HA TRP A 3 8.059 1.984 -5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.185 4.768 -4.624 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.037 4.368 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.011 4.484 -3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.494 4.495 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.252 3.700 -8.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.816 4.204 -5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.180 3.563 -9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.958 3.801 -8.405 1.00 0.00 H new ATOM 59 N LEU A 4 10.435 2.924 -6.332 1.00 0.00 N ATOM 60 CA LEU A 4 11.841 3.062 -6.657 1.00 0.00 C ATOM 61 C LEU A 4 12.017 4.412 -7.328 1.00 0.00 C ATOM 62 O LEU A 4 11.318 4.734 -8.286 1.00 0.00 O ATOM 63 CB LEU A 4 12.243 1.923 -7.601 1.00 0.00 C ATOM 64 CG LEU A 4 13.642 2.012 -8.240 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.764 1.956 -7.202 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.809 0.844 -9.221 1.00 0.00 C ATOM 0 H LEU A 4 9.844 2.967 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 4 12.471 3.007 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.181 0.986 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.506 1.870 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 4 13.716 2.973 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.729 2.022 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.659 2.789 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.705 1.016 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.796 0.894 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.706 -0.099 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.044 0.907 -9.995 1.00 0.00 H new ATOM 78 N VAL A 5 12.961 5.180 -6.811 1.00 0.00 N ATOM 79 CA VAL A 5 13.464 6.409 -7.404 1.00 0.00 C ATOM 80 C VAL A 5 14.409 5.962 -8.507 1.00 0.00 C ATOM 81 O VAL A 5 15.479 5.424 -8.191 1.00 0.00 O ATOM 82 CB VAL A 5 14.208 7.277 -6.367 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.610 8.627 -6.968 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.346 7.533 -5.120 1.00 0.00 C ATOM 0 H VAL A 5 13.418 4.955 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 5 12.651 7.028 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 5 15.100 6.722 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.132 9.219 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.267 8.464 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.717 9.161 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.903 8.147 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.432 8.051 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.091 6.582 -4.652 1.00 0.00 H new ATOM 94 N LYS A 6 13.994 6.190 -9.762 1.00 0.00 N ATOM 95 CA LYS A 6 14.753 5.944 -10.998 1.00 0.00 C ATOM 96 C LYS A 6 15.416 7.214 -11.548 1.00 0.00 C ATOM 97 O LYS A 6 16.355 7.106 -12.330 1.00 0.00 O ATOM 98 CB LYS A 6 13.803 5.424 -12.087 1.00 0.00 C ATOM 99 CG LYS A 6 13.463 3.930 -11.987 1.00 0.00 C ATOM 100 CD LYS A 6 14.626 2.950 -12.209 1.00 0.00 C ATOM 101 CE LYS A 6 15.523 3.302 -13.411 1.00 0.00 C ATOM 102 NZ LYS A 6 16.600 2.299 -13.623 1.00 0.00 N ATOM 0 H LYS A 6 13.068 6.572 -9.953 1.00 0.00 H new ATOM 0 HA LYS A 6 15.528 5.220 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.876 5.996 -12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.251 5.615 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.040 3.741 -11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.684 3.707 -12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.239 2.920 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.221 1.948 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.911 3.371 -14.310 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.970 4.284 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.178 2.578 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.201 2.251 -12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.176 1.366 -13.800 1.00 0.00 H new ATOM 116 N LYS A 7 14.936 8.402 -11.172 1.00 0.00 N ATOM 117 CA LYS A 7 15.509 9.707 -11.517 1.00 0.00 C ATOM 118 C LYS A 7 15.273 10.603 -10.314 1.00 0.00 C ATOM 119 O LYS A 7 14.266 10.410 -9.632 1.00 0.00 O ATOM 120 CB LYS A 7 14.850 10.345 -12.752 1.00 0.00 C ATOM 121 CG LYS A 7 15.066 9.552 -14.048 1.00 0.00 C ATOM 122 CD LYS A 7 14.697 10.419 -15.261 1.00 0.00 C ATOM 123 CE LYS A 7 14.622 9.614 -16.565 1.00 0.00 C ATOM 124 NZ LYS A 7 15.952 9.163 -17.050 1.00 0.00 N ATOM 0 H LYS A 7 14.100 8.485 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 7 16.564 9.583 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.780 10.443 -12.571 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.245 11.352 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.106 9.234 -14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.456 8.648 -14.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.735 10.899 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.434 11.214 -15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.984 8.744 -16.411 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.149 10.224 -17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.836 8.625 -17.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.556 9.991 -17.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.396 8.557 -16.331 1.00 0.00 H new ATOM 138 N SER A 8 16.147 11.574 -10.079 1.00 0.00 N ATOM 139 CA SER A 8 16.080 12.483 -8.944 1.00 0.00 C ATOM 140 C SER A 8 16.672 13.822 -9.387 1.00 0.00 C ATOM 141 O SER A 8 17.892 14.000 -9.424 1.00 0.00 O ATOM 142 CB SER A 8 16.829 11.862 -7.758 1.00 0.00 C ATOM 143 OG SER A 8 18.063 11.299 -8.178 1.00 0.00 O ATOM 0 H SER A 8 16.943 11.755 -10.690 1.00 0.00 H new ATOM 0 HA SER A 8 15.055 12.654 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.011 12.623 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.212 11.092 -7.296 1.00 0.00 H new ATOM 0 HG SER A 8 18.523 11.927 -8.773 1.00 0.00 H new ATOM 149 N CYS A 9 15.806 14.742 -9.797 1.00 0.00 N ATOM 150 CA CYS A 9 16.179 16.071 -10.252 1.00 0.00 C ATOM 151 C CYS A 9 16.461 16.932 -9.019 1.00 0.00 C ATOM 152 O CYS A 9 15.523 17.355 -8.340 1.00 0.00 O ATOM 153 CB CYS A 9 15.050 16.653 -11.113 1.00 0.00 C ATOM 154 SG CYS A 9 14.716 15.548 -12.518 1.00 0.00 S ATOM 0 H CYS A 9 14.800 14.577 -9.822 1.00 0.00 H new ATOM 0 HA CYS A 9 17.076 16.040 -10.871 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.149 16.776 -10.513 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.329 17.643 -11.475 1.00 0.00 H new ATOM 0 HG CYS A 9 14.972 16.171 -13.630 1.00 0.00 H new ATOM 160 N CYS A 10 17.745 17.143 -8.708 1.00 0.00 N ATOM 161 CA CYS A 10 18.208 17.964 -7.591 1.00 0.00 C ATOM 162 C CYS A 10 17.722 19.419 -7.717 1.00 0.00 C ATOM 163 O CYS A 10 17.437 19.897 -8.820 1.00 0.00 O ATOM 164 CB CYS A 10 19.742 17.878 -7.489 1.00 0.00 C ATOM 165 SG CYS A 10 20.554 18.196 -9.087 1.00 0.00 S ATOM 0 H CYS A 10 18.510 16.734 -9.244 1.00 0.00 H new ATOM 0 HA CYS A 10 17.777 17.576 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.097 18.599 -6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.026 16.889 -7.129 1.00 0.00 H new ATOM 0 HG CYS A 10 21.843 18.113 -8.943 1.00 0.00 H new ATOM 171 N ASN A 11 17.649 20.135 -6.589 1.00 0.00 N ATOM 172 CA ASN A 11 17.214 21.531 -6.521 1.00 0.00 C ATOM 173 C ASN A 11 17.844 22.235 -5.319 1.00 0.00 C ATOM 174 O ASN A 11 18.285 21.590 -4.365 1.00 0.00 O ATOM 175 CB ASN A 11 15.674 21.625 -6.440 1.00 0.00 C ATOM 176 CG ASN A 11 15.145 21.980 -5.050 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.854 23.140 -4.766 1.00 0.00 O ATOM 178 ND2 ASN A 11 15.049 21.007 -4.159 1.00 0.00 N ATOM 0 H ASN A 11 17.897 19.749 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 11 17.545 22.029 -7.433 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.328 22.375 -7.152 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.245 20.671 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.728 21.212 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.296 20.052 -4.418 1.00 0.00 H new ATOM 185 N LYS A 12 17.796 23.567 -5.359 1.00 0.00 N ATOM 186 CA LYS A 12 18.097 24.461 -4.244 1.00 0.00 C ATOM 187 C LYS A 12 17.125 25.631 -4.205 1.00 0.00 C ATOM 188 O LYS A 12 16.774 26.084 -3.118 1.00 0.00 O ATOM 189 CB LYS A 12 19.523 25.018 -4.394 1.00 0.00 C ATOM 190 CG LYS A 12 20.560 24.186 -3.638 1.00 0.00 C ATOM 191 CD LYS A 12 20.470 24.448 -2.126 1.00 0.00 C ATOM 192 CE LYS A 12 21.557 23.655 -1.387 1.00 0.00 C ATOM 193 NZ LYS A 12 21.525 23.888 0.079 1.00 0.00 N ATOM 0 H LYS A 12 17.535 24.072 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 12 18.006 23.888 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.788 25.049 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.549 26.044 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.400 23.127 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.560 24.430 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.587 25.513 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.485 24.161 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.427 22.591 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.536 23.935 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.276 23.332 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.675 24.899 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.601 23.597 0.457 1.00 0.00 H new ATOM 207 N GLN A 13 16.710 26.129 -5.374 1.00 0.00 N ATOM 208 CA GLN A 13 15.983 27.383 -5.460 1.00 0.00 C ATOM 209 C GLN A 13 14.594 27.335 -4.822 1.00 0.00 C ATOM 210 O GLN A 13 14.097 28.406 -4.467 1.00 0.00 O ATOM 211 CB GLN A 13 15.882 27.836 -6.932 1.00 0.00 C ATOM 212 CG GLN A 13 17.179 28.471 -7.465 1.00 0.00 C ATOM 213 CD GLN A 13 17.541 29.798 -6.784 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.692 30.507 -6.247 1.00 0.00 O ATOM 215 NE2 GLN A 13 18.813 30.163 -6.774 1.00 0.00 N ATOM 0 H GLN A 13 16.870 25.675 -6.273 1.00 0.00 H new ATOM 0 HA GLN A 13 16.555 28.110 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.625 26.977 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.068 28.554 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.000 27.767 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.077 28.639 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 13 19.516 29.574 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 13 19.090 31.034 -6.320 1.00 0.00 H new ATOM 224 N ASP A 14 13.959 26.165 -4.667 1.00 0.00 N ATOM 225 CA ASP A 14 12.574 26.109 -4.164 1.00 0.00 C ATOM 226 C ASP A 14 12.363 25.078 -3.050 1.00 0.00 C ATOM 227 O ASP A 14 11.254 24.937 -2.539 1.00 0.00 O ATOM 228 CB ASP A 14 11.607 25.873 -5.337 1.00 0.00 C ATOM 229 CG ASP A 14 10.146 26.190 -4.968 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.863 27.313 -4.488 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.263 25.342 -5.221 1.00 0.00 O ATOM 0 H ASP A 14 14.372 25.256 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 14 12.362 27.074 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.908 26.492 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.680 24.835 -5.661 1.00 0.00 H new ATOM 236 N ASN A 15 13.408 24.322 -2.686 1.00 0.00 N ATOM 237 CA ASN A 15 13.421 23.156 -1.788 1.00 0.00 C ATOM 238 C ASN A 15 12.660 21.964 -2.394 1.00 0.00 C ATOM 239 O ASN A 15 12.942 20.814 -2.063 1.00 0.00 O ATOM 240 CB ASN A 15 12.926 23.520 -0.370 1.00 0.00 C ATOM 241 CG ASN A 15 13.434 22.616 0.761 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.764 23.103 1.838 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.504 21.309 0.582 1.00 0.00 N ATOM 0 H ASN A 15 14.343 24.526 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 15 14.458 22.838 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.224 24.546 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.836 23.497 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.832 20.708 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.230 20.901 -0.312 1.00 0.00 H new ATOM 250 N ARG A 16 11.748 22.211 -3.327 1.00 0.00 N ATOM 251 CA ARG A 16 10.971 21.207 -4.044 1.00 0.00 C ATOM 252 C ARG A 16 11.859 20.465 -5.038 1.00 0.00 C ATOM 253 O ARG A 16 12.538 21.092 -5.844 1.00 0.00 O ATOM 254 CB ARG A 16 9.793 21.919 -4.722 1.00 0.00 C ATOM 255 CG ARG A 16 9.211 21.228 -5.965 1.00 0.00 C ATOM 256 CD ARG A 16 7.848 21.794 -6.388 1.00 0.00 C ATOM 257 NE ARG A 16 7.661 23.218 -6.083 1.00 0.00 N ATOM 258 CZ ARG A 16 6.489 23.840 -5.939 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.335 23.227 -6.192 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.520 25.102 -5.533 1.00 0.00 N ATOM 0 H ARG A 16 11.519 23.162 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 16 10.578 20.453 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.995 22.036 -3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.115 22.921 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.913 21.331 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.108 20.161 -5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.724 21.645 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.062 21.223 -5.894 1.00 0.00 H new ATOM 0 HE ARG A 16 8.503 23.783 -5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.331 22.256 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.455 23.728 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.414 25.556 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.650 25.619 -5.408 1.00 0.00 H new ATOM 274 N HIS A 17 11.788 19.143 -5.017 1.00 0.00 N ATOM 275 CA HIS A 17 12.474 18.221 -5.909 1.00 0.00 C ATOM 276 C HIS A 17 11.443 17.539 -6.802 1.00 0.00 C ATOM 277 O HIS A 17 10.235 17.633 -6.569 1.00 0.00 O ATOM 278 CB HIS A 17 13.207 17.158 -5.071 1.00 0.00 C ATOM 279 CG HIS A 17 14.446 17.666 -4.393 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.672 17.782 -3.042 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.595 18.028 -5.028 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.937 18.203 -2.870 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.537 18.395 -4.063 1.00 0.00 N ATOM 0 H HIS A 17 11.212 18.654 -4.332 1.00 0.00 H new ATOM 0 HA HIS A 17 13.194 18.762 -6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.524 16.771 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.475 16.322 -5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.752 18.031 -6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.407 18.365 -1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.484 18.738 -4.227 1.00 0.00 H new ATOM 291 N VAL A 18 11.917 16.802 -7.801 1.00 0.00 N ATOM 292 CA VAL A 18 11.077 15.900 -8.574 1.00 0.00 C ATOM 293 C VAL A 18 11.879 14.633 -8.764 1.00 0.00 C ATOM 294 O VAL A 18 13.100 14.670 -8.936 1.00 0.00 O ATOM 295 CB VAL A 18 10.667 16.488 -9.941 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.451 15.766 -10.540 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.355 17.985 -9.896 1.00 0.00 C ATOM 0 H VAL A 18 12.893 16.814 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 18 10.143 15.720 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 18 11.543 16.335 -10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.199 16.214 -11.501 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.687 14.711 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.602 15.860 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.075 18.328 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.531 18.164 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.237 18.530 -9.559 1.00 0.00 H new ATOM 307 N LEU A 19 11.180 13.512 -8.697 1.00 0.00 N ATOM 308 CA LEU A 19 11.766 12.198 -8.881 1.00 0.00 C ATOM 309 C LEU A 19 10.825 11.365 -9.741 1.00 0.00 C ATOM 310 O LEU A 19 9.645 11.699 -9.879 1.00 0.00 O ATOM 311 CB LEU A 19 12.127 11.490 -7.550 1.00 0.00 C ATOM 312 CG LEU A 19 11.736 12.088 -6.178 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.043 11.035 -5.110 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.529 13.357 -5.816 1.00 0.00 C ATOM 0 H LEU A 19 10.177 13.491 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 19 12.722 12.317 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.691 10.492 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.210 11.365 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 19 10.682 12.360 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.778 11.425 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.464 10.134 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.106 10.795 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.205 13.723 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.593 13.123 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.352 14.124 -6.570 1.00 0.00 H new ATOM 326 N MET A 20 11.337 10.274 -10.312 1.00 0.00 N ATOM 327 CA MET A 20 10.508 9.315 -11.025 1.00 0.00 C ATOM 328 C MET A 20 10.259 8.157 -10.087 1.00 0.00 C ATOM 329 O MET A 20 11.204 7.471 -9.692 1.00 0.00 O ATOM 330 CB MET A 20 11.128 8.858 -12.348 1.00 0.00 C ATOM 331 CG MET A 20 10.760 9.866 -13.440 1.00 0.00 C ATOM 332 SD MET A 20 11.318 9.449 -15.114 1.00 0.00 S ATOM 333 CE MET A 20 10.456 7.879 -15.386 1.00 0.00 C ATOM 0 H MET A 20 12.329 10.036 -10.291 1.00 0.00 H new ATOM 0 HA MET A 20 9.568 9.786 -11.312 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.211 8.785 -12.252 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.764 7.865 -12.612 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.676 9.978 -13.455 1.00 0.00 H new ATOM 0 HG3 MET A 20 11.177 10.836 -13.169 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.540 7.595 -16.435 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.905 7.105 -14.763 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.404 7.991 -15.124 1.00 0.00 H new ATOM 343 N LEU A 21 8.991 7.990 -9.717 1.00 0.00 N ATOM 344 CA LEU A 21 8.525 6.960 -8.802 1.00 0.00 C ATOM 345 C LEU A 21 8.089 5.790 -9.641 1.00 0.00 C ATOM 346 O LEU A 21 7.230 5.928 -10.507 1.00 0.00 O ATOM 347 CB LEU A 21 7.334 7.437 -7.956 1.00 0.00 C ATOM 348 CG LEU A 21 7.801 7.904 -6.577 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.744 9.110 -6.695 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.580 8.217 -5.707 1.00 0.00 C ATOM 0 H LEU A 21 8.239 8.589 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 21 9.330 6.700 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.822 8.252 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.613 6.627 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 21 8.370 7.107 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.061 9.422 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.618 8.832 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.223 9.933 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.910 8.550 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.990 9.004 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.970 7.320 -5.600 1.00 0.00 H new ATOM 362 N CYS A 22 8.671 4.638 -9.369 1.00 0.00 N ATOM 363 CA CYS A 22 8.549 3.475 -10.222 1.00 0.00 C ATOM 364 C CYS A 22 8.260 2.251 -9.371 1.00 0.00 C ATOM 365 O CYS A 22 8.431 2.285 -8.156 1.00 0.00 O ATOM 366 CB CYS A 22 9.856 3.319 -11.013 1.00 0.00 C ATOM 367 SG CYS A 22 10.281 4.891 -11.829 1.00 0.00 S ATOM 0 H CYS A 22 9.247 4.483 -8.542 1.00 0.00 H new ATOM 0 HA CYS A 22 7.724 3.590 -10.925 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.662 3.017 -10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.748 2.531 -11.758 1.00 0.00 H new ATOM 0 HG CYS A 22 10.765 5.719 -10.951 1.00 0.00 H new ATOM 373 N ASP A 23 7.808 1.175 -10.004 1.00 0.00 N ATOM 374 CA ASP A 23 7.727 -0.141 -9.375 1.00 0.00 C ATOM 375 C ASP A 23 9.099 -0.482 -8.774 1.00 0.00 C ATOM 376 O ASP A 23 10.123 -0.057 -9.316 1.00 0.00 O ATOM 377 CB ASP A 23 7.302 -1.162 -10.444 1.00 0.00 C ATOM 378 CG ASP A 23 7.850 -2.569 -10.178 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.268 -3.298 -9.343 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.865 -2.924 -10.816 1.00 0.00 O ATOM 0 H ASP A 23 7.486 1.189 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 23 6.991 -0.158 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.214 -1.204 -10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.646 -0.822 -11.421 1.00 0.00 H new ATOM 385 N ALA A 24 9.134 -1.236 -7.671 1.00 0.00 N ATOM 386 CA ALA A 24 10.357 -1.749 -7.054 1.00 0.00 C ATOM 387 C ALA A 24 11.039 -2.777 -7.978 1.00 0.00 C ATOM 388 O ALA A 24 10.971 -3.989 -7.748 1.00 0.00 O ATOM 389 CB ALA A 24 10.039 -2.308 -5.663 1.00 0.00 C ATOM 0 H ALA A 24 8.289 -1.513 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 24 11.073 -0.938 -6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.952 -2.689 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.624 -1.516 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.314 -3.117 -5.753 1.00 0.00 H new ATOM 395 N GLY A 25 11.659 -2.284 -9.051 1.00 0.00 N ATOM 396 CA GLY A 25 12.178 -3.068 -10.169 1.00 0.00 C ATOM 397 C GLY A 25 12.153 -2.296 -11.493 1.00 0.00 C ATOM 398 O GLY A 25 12.839 -2.676 -12.443 1.00 0.00 O ATOM 0 H GLY A 25 11.819 -1.284 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.201 -3.373 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.589 -3.979 -10.273 1.00 0.00 H new ATOM 402 N GLY A 26 11.390 -1.201 -11.555 1.00 0.00 N ATOM 403 CA GLY A 26 11.297 -0.296 -12.691 1.00 0.00 C ATOM 404 C GLY A 26 10.271 -0.723 -13.744 1.00 0.00 C ATOM 405 O GLY A 26 10.253 -0.118 -14.819 1.00 0.00 O ATOM 0 H GLY A 26 10.796 -0.913 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.039 0.699 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.277 -0.220 -13.163 1.00 0.00 H new ATOM 409 N ALA A 27 9.433 -1.736 -13.487 1.00 0.00 N ATOM 410 CA ALA A 27 8.529 -2.294 -14.500 1.00 0.00 C ATOM 411 C ALA A 27 7.421 -1.318 -14.932 1.00 0.00 C ATOM 412 O ALA A 27 6.846 -1.477 -16.010 1.00 0.00 O ATOM 413 CB ALA A 27 7.903 -3.588 -13.970 1.00 0.00 C ATOM 0 H ALA A 27 9.363 -2.189 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 27 9.131 -2.493 -15.386 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.232 -4.002 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.690 -4.309 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.341 -3.375 -13.061 1.00 0.00 H new ATOM 419 N ILE A 28 7.117 -0.320 -14.099 1.00 0.00 N ATOM 420 CA ILE A 28 6.120 0.729 -14.302 1.00 0.00 C ATOM 421 C ILE A 28 6.790 1.991 -13.753 1.00 0.00 C ATOM 422 O ILE A 28 7.540 1.890 -12.777 1.00 0.00 O ATOM 423 CB ILE A 28 4.809 0.384 -13.542 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.210 -0.959 -14.027 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.770 1.518 -13.676 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.914 -1.379 -13.323 1.00 0.00 C ATOM 0 H ILE A 28 7.595 -0.218 -13.204 1.00 0.00 H new ATOM 0 HA ILE A 28 5.828 0.851 -15.345 1.00 0.00 H new ATOM 0 HB ILE A 28 5.065 0.278 -12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.019 -0.889 -15.098 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.953 -1.744 -13.887 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.864 1.247 -13.134 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.180 2.438 -13.260 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.531 1.670 -14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.571 -2.330 -13.729 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.099 -1.487 -12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.150 -0.619 -13.484 1.00 0.00 H new ATOM 438 N LYS A 29 6.543 3.162 -14.350 1.00 0.00 N ATOM 439 CA LYS A 29 7.198 4.412 -13.963 1.00 0.00 C ATOM 440 C LYS A 29 6.192 5.565 -13.974 1.00 0.00 C ATOM 441 O LYS A 29 5.300 5.615 -14.823 1.00 0.00 O ATOM 442 CB LYS A 29 8.396 4.713 -14.889 1.00 0.00 C ATOM 443 CG LYS A 29 9.443 3.578 -14.953 1.00 0.00 C ATOM 444 CD LYS A 29 10.797 4.072 -15.485 1.00 0.00 C ATOM 445 CE LYS A 29 11.920 3.018 -15.431 1.00 0.00 C ATOM 446 NZ LYS A 29 11.657 1.835 -16.293 1.00 0.00 N ATOM 0 H LYS A 29 5.880 3.268 -15.118 1.00 0.00 H new ATOM 0 HA LYS A 29 7.581 4.302 -12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.024 4.907 -15.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.885 5.625 -14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.578 3.153 -13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.072 2.778 -15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.671 4.400 -16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.105 4.944 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.858 3.481 -15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.049 2.687 -14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.559 1.449 -16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.158 1.108 -15.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.070 2.119 -17.103 1.00 0.00 H new ATOM 460 N MET A 30 6.355 6.498 -13.042 1.00 0.00 N ATOM 461 CA MET A 30 5.548 7.691 -12.812 1.00 0.00 C ATOM 462 C MET A 30 6.509 8.821 -12.425 1.00 0.00 C ATOM 463 O MET A 30 7.715 8.606 -12.304 1.00 0.00 O ATOM 464 CB MET A 30 4.519 7.472 -11.683 1.00 0.00 C ATOM 465 CG MET A 30 3.672 6.201 -11.814 1.00 0.00 C ATOM 466 SD MET A 30 2.048 6.258 -10.998 1.00 0.00 S ATOM 467 CE MET A 30 2.468 6.994 -9.393 1.00 0.00 C ATOM 0 H MET A 30 7.120 6.433 -12.371 1.00 0.00 H new ATOM 0 HA MET A 30 4.987 7.934 -13.715 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.048 7.441 -10.731 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.852 8.333 -11.649 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.520 5.994 -12.873 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.237 5.364 -11.403 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.634 6.863 -8.703 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.354 6.504 -8.989 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.668 8.058 -9.522 1.00 0.00 H new ATOM 477 N ILE A 31 5.987 10.022 -12.200 1.00 0.00 N ATOM 478 CA ILE A 31 6.718 11.210 -11.780 1.00 0.00 C ATOM 479 C ILE A 31 6.060 11.653 -10.474 1.00 0.00 C ATOM 480 O ILE A 31 4.834 11.573 -10.362 1.00 0.00 O ATOM 481 CB ILE A 31 6.622 12.309 -12.852 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.122 11.825 -14.230 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.451 13.550 -12.468 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.328 12.537 -15.315 1.00 0.00 C ATOM 0 H ILE A 31 4.989 10.201 -12.312 1.00 0.00 H new ATOM 0 HA ILE A 31 7.780 11.008 -11.641 1.00 0.00 H new ATOM 0 HB ILE A 31 5.564 12.564 -12.913 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.186 12.035 -14.341 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.999 10.746 -14.319 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.359 14.305 -13.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.083 13.956 -11.526 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.498 13.268 -12.358 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.671 12.204 -16.295 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.269 12.304 -15.203 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.474 13.613 -15.226 1.00 0.00 H new ATOM 496 N ALA A 32 6.837 12.147 -9.512 1.00 0.00 N ATOM 497 CA ALA A 32 6.314 12.795 -8.323 1.00 0.00 C ATOM 498 C ALA A 32 7.150 14.030 -8.041 1.00 0.00 C ATOM 499 O ALA A 32 8.381 13.976 -8.016 1.00 0.00 O ATOM 500 CB ALA A 32 6.341 11.860 -7.117 1.00 0.00 C ATOM 0 H ALA A 32 7.856 12.106 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 32 5.274 13.070 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.942 12.379 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.733 10.980 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.368 11.552 -6.918 1.00 0.00 H new ATOM 506 N GLU A 33 6.464 15.137 -7.816 1.00 0.00 N ATOM 507 CA GLU A 33 7.023 16.376 -7.324 1.00 0.00 C ATOM 508 C GLU A 33 6.932 16.285 -5.800 1.00 0.00 C ATOM 509 O GLU A 33 5.879 15.921 -5.262 1.00 0.00 O ATOM 510 CB GLU A 33 6.147 17.509 -7.881 1.00 0.00 C ATOM 511 CG GLU A 33 6.694 18.913 -7.641 1.00 0.00 C ATOM 512 CD GLU A 33 5.686 19.979 -8.113 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.516 20.159 -9.340 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.090 20.665 -7.251 1.00 0.00 O ATOM 0 H GLU A 33 5.459 15.195 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 33 8.055 16.558 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.023 17.360 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.156 17.438 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.905 19.050 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.637 19.037 -8.173 1.00 0.00 H new ATOM 521 N VAL A 34 8.017 16.584 -5.092 1.00 0.00 N ATOM 522 CA VAL A 34 8.136 16.365 -3.654 1.00 0.00 C ATOM 523 C VAL A 34 8.905 17.537 -3.034 1.00 0.00 C ATOM 524 O VAL A 34 9.430 18.392 -3.744 1.00 0.00 O ATOM 525 CB VAL A 34 8.810 14.995 -3.358 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.162 13.814 -4.104 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.309 14.976 -3.682 1.00 0.00 C ATOM 0 H VAL A 34 8.853 16.993 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 34 7.145 16.326 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 34 8.661 14.872 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.684 12.892 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.115 13.730 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.228 13.983 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.718 13.992 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.455 15.192 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.820 15.730 -3.083 1.00 0.00 H new ATOM 537 N LYS A 35 9.018 17.574 -1.713 1.00 0.00 N ATOM 538 CA LYS A 35 9.918 18.442 -0.966 1.00 0.00 C ATOM 539 C LYS A 35 10.656 17.512 -0.012 1.00 0.00 C ATOM 540 O LYS A 35 10.138 16.443 0.325 1.00 0.00 O ATOM 541 CB LYS A 35 9.128 19.559 -0.257 1.00 0.00 C ATOM 542 CG LYS A 35 10.044 20.654 0.317 1.00 0.00 C ATOM 543 CD LYS A 35 9.278 21.876 0.850 1.00 0.00 C ATOM 544 CE LYS A 35 8.631 22.701 -0.277 1.00 0.00 C ATOM 545 NZ LYS A 35 7.967 23.927 0.237 1.00 0.00 N ATOM 0 H LYS A 35 8.460 16.973 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 35 10.630 18.973 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.428 20.008 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.536 19.126 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.643 20.230 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.738 20.980 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.505 21.543 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.960 22.511 1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.393 22.980 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.900 22.086 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.545 24.452 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.222 23.661 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.669 24.527 0.715 1.00 0.00 H new ATOM 559 N SER A 36 11.845 17.905 0.423 1.00 0.00 N ATOM 560 CA SER A 36 12.743 17.009 1.138 1.00 0.00 C ATOM 561 C SER A 36 13.457 17.752 2.261 1.00 0.00 C ATOM 562 O SER A 36 13.696 18.958 2.160 1.00 0.00 O ATOM 563 CB SER A 36 13.765 16.410 0.155 1.00 0.00 C ATOM 564 OG SER A 36 13.200 16.175 -1.132 1.00 0.00 O ATOM 0 H SER A 36 12.213 18.847 0.292 1.00 0.00 H new ATOM 0 HA SER A 36 12.160 16.202 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.614 17.087 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.148 15.473 0.558 1.00 0.00 H new ATOM 0 HG SER A 36 13.763 16.592 -1.817 1.00 0.00 H new ATOM 570 N ASP A 37 13.850 17.015 3.302 1.00 0.00 N ATOM 571 CA ASP A 37 14.678 17.523 4.405 1.00 0.00 C ATOM 572 C ASP A 37 15.982 16.716 4.535 1.00 0.00 C ATOM 573 O ASP A 37 16.782 16.937 5.443 1.00 0.00 O ATOM 574 CB ASP A 37 13.855 17.523 5.702 1.00 0.00 C ATOM 575 CG ASP A 37 14.581 18.224 6.865 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.985 19.401 6.716 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.683 17.637 7.966 1.00 0.00 O ATOM 0 H ASP A 37 13.599 16.032 3.407 1.00 0.00 H new ATOM 0 HA ASP A 37 14.975 18.550 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.901 18.019 5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.631 16.495 5.986 1.00 0.00 H new ATOM 582 N PHE A 38 16.208 15.787 3.598 1.00 0.00 N ATOM 583 CA PHE A 38 17.353 14.891 3.509 1.00 0.00 C ATOM 584 C PHE A 38 17.662 14.685 2.022 1.00 0.00 C ATOM 585 O PHE A 38 16.789 14.904 1.173 1.00 0.00 O ATOM 586 CB PHE A 38 17.017 13.534 4.154 1.00 0.00 C ATOM 587 CG PHE A 38 16.510 13.589 5.583 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.146 13.837 5.834 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.391 13.385 6.663 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.665 13.882 7.152 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.908 13.428 7.982 1.00 0.00 C ATOM 592 CZ PHE A 38 15.546 13.674 8.228 1.00 0.00 C ATOM 0 H PHE A 38 15.549 15.637 2.835 1.00 0.00 H new ATOM 0 HA PHE A 38 18.209 15.318 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.265 13.038 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.911 12.910 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.467 13.993 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.438 13.196 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.619 14.076 7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.585 13.272 8.809 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.177 13.703 9.242 1.00 0.00 H new ATOM 602 N ALA A 39 18.883 14.247 1.704 1.00 0.00 N ATOM 603 CA ALA A 39 19.255 13.870 0.348 1.00 0.00 C ATOM 604 C ALA A 39 18.437 12.653 -0.108 1.00 0.00 C ATOM 605 O ALA A 39 18.101 11.785 0.699 1.00 0.00 O ATOM 606 CB ALA A 39 20.757 13.566 0.287 1.00 0.00 C ATOM 0 H ALA A 39 19.638 14.146 2.383 1.00 0.00 H new ATOM 0 HA ALA A 39 19.038 14.699 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.030 13.284 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.320 14.452 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.990 12.746 0.966 1.00 0.00 H new ATOM 612 N VAL A 40 18.180 12.565 -1.412 1.00 0.00 N ATOM 613 CA VAL A 40 17.503 11.459 -2.083 1.00 0.00 C ATOM 614 C VAL A 40 18.111 11.393 -3.487 1.00 0.00 C ATOM 615 O VAL A 40 18.389 12.442 -4.080 1.00 0.00 O ATOM 616 CB VAL A 40 15.967 11.685 -2.062 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.513 13.076 -2.546 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.201 10.620 -2.860 1.00 0.00 C ATOM 0 H VAL A 40 18.453 13.302 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 40 17.647 10.499 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 40 15.722 11.606 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.426 13.142 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.952 13.844 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.839 13.227 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.132 10.827 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.527 10.640 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.399 9.635 -2.436 1.00 0.00 H new ATOM 628 N LYS A 41 18.365 10.192 -4.016 1.00 0.00 N ATOM 629 CA LYS A 41 18.975 10.014 -5.333 1.00 0.00 C ATOM 630 C LYS A 41 18.460 8.745 -6.007 1.00 0.00 C ATOM 631 O LYS A 41 17.790 7.930 -5.375 1.00 0.00 O ATOM 632 CB LYS A 41 20.518 10.085 -5.254 1.00 0.00 C ATOM 633 CG LYS A 41 21.252 8.787 -4.879 1.00 0.00 C ATOM 634 CD LYS A 41 20.882 8.225 -3.504 1.00 0.00 C ATOM 635 CE LYS A 41 21.517 6.848 -3.269 1.00 0.00 C ATOM 636 NZ LYS A 41 20.709 5.761 -3.873 1.00 0.00 N ATOM 0 H LYS A 41 18.152 9.315 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 41 18.671 10.844 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.893 10.420 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.786 10.850 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.039 8.032 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.326 8.971 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.211 8.916 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.798 8.146 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.521 6.833 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.620 6.673 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.288 4.901 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.883 5.568 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.389 6.051 -4.819 1.00 0.00 H new ATOM 650 N VAL A 42 18.787 8.564 -7.283 1.00 0.00 N ATOM 651 CA VAL A 42 18.466 7.366 -8.052 1.00 0.00 C ATOM 652 C VAL A 42 18.870 6.082 -7.318 1.00 0.00 C ATOM 653 O VAL A 42 19.849 6.041 -6.566 1.00 0.00 O ATOM 654 CB VAL A 42 19.104 7.463 -9.453 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.723 6.260 -10.325 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.629 8.748 -10.139 1.00 0.00 C ATOM 0 H VAL A 42 19.295 9.264 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 42 17.384 7.310 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 42 20.187 7.472 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.189 6.359 -11.305 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.069 5.342 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.640 6.223 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.078 8.819 -11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.543 8.730 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.927 9.610 -9.543 1.00 0.00 H new ATOM 666 N GLY A 43 18.114 5.015 -7.571 1.00 0.00 N ATOM 667 CA GLY A 43 18.275 3.739 -6.910 1.00 0.00 C ATOM 668 C GLY A 43 17.836 3.848 -5.455 1.00 0.00 C ATOM 669 O GLY A 43 18.468 3.216 -4.605 1.00 0.00 O ATOM 0 H GLY A 43 17.359 5.023 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.685 2.978 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.317 3.422 -6.962 1.00 0.00 H new ATOM 673 N ASP A 44 16.818 4.666 -5.147 1.00 0.00 N ATOM 674 CA ASP A 44 16.344 4.775 -3.747 1.00 0.00 C ATOM 675 C ASP A 44 14.984 4.119 -3.622 1.00 0.00 C ATOM 676 O ASP A 44 14.180 4.207 -4.543 1.00 0.00 O ATOM 677 CB ASP A 44 16.228 6.223 -3.215 1.00 0.00 C ATOM 678 CG ASP A 44 17.501 6.790 -2.578 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.443 6.010 -2.308 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.539 8.006 -2.293 1.00 0.00 O ATOM 0 H ASP A 44 16.317 5.247 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 44 17.103 4.276 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.933 6.873 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.426 6.259 -2.478 1.00 0.00 H new ATOM 685 N LEU A 45 14.693 3.494 -2.483 1.00 0.00 N ATOM 686 CA LEU A 45 13.340 3.042 -2.185 1.00 0.00 C ATOM 687 C LEU A 45 12.557 4.218 -1.596 1.00 0.00 C ATOM 688 O LEU A 45 13.146 5.049 -0.899 1.00 0.00 O ATOM 689 CB LEU A 45 13.414 1.917 -1.141 1.00 0.00 C ATOM 690 CG LEU A 45 12.094 1.143 -0.949 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.861 0.132 -2.077 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.127 0.423 0.399 1.00 0.00 C ATOM 0 H LEU A 45 15.376 3.290 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 45 12.851 2.678 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.194 1.215 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.714 2.344 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 45 11.271 1.857 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.921 -0.393 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.816 0.656 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.680 -0.587 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.196 -0.126 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.966 -0.273 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.243 1.154 1.199 1.00 0.00 H new ATOM 704 N LEU A 46 11.242 4.251 -1.804 1.00 0.00 N ATOM 705 CA LEU A 46 10.313 5.124 -1.099 1.00 0.00 C ATOM 706 C LEU A 46 9.218 4.231 -0.535 1.00 0.00 C ATOM 707 O LEU A 46 8.573 3.493 -1.285 1.00 0.00 O ATOM 708 CB LEU A 46 9.671 6.194 -1.997 1.00 0.00 C ATOM 709 CG LEU A 46 10.614 7.252 -2.586 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.785 8.258 -3.389 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.417 8.033 -1.546 1.00 0.00 C ATOM 0 H LEU A 46 10.782 3.652 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 46 10.864 5.665 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.167 5.689 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.902 6.707 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 46 11.331 6.707 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.444 9.016 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.263 7.740 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.057 8.736 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.056 8.758 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.734 8.555 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.034 7.344 -0.970 1.00 0.00 H new ATOM 723 N SER A 47 8.977 4.343 0.765 1.00 0.00 N ATOM 724 CA SER A 47 7.953 3.582 1.480 1.00 0.00 C ATOM 725 C SER A 47 7.046 4.565 2.226 1.00 0.00 C ATOM 726 O SER A 47 7.577 5.482 2.852 1.00 0.00 O ATOM 727 CB SER A 47 8.618 2.619 2.468 1.00 0.00 C ATOM 728 OG SER A 47 9.626 1.860 1.839 1.00 0.00 O ATOM 0 H SER A 47 9.498 4.979 1.368 1.00 0.00 H new ATOM 0 HA SER A 47 7.360 2.998 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.047 3.183 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.867 1.952 2.891 1.00 0.00 H new ATOM 0 HG SER A 47 9.232 1.051 1.450 1.00 0.00 H new ATOM 734 N PRO A 48 5.711 4.435 2.163 1.00 0.00 N ATOM 735 CA PRO A 48 4.809 5.430 2.732 1.00 0.00 C ATOM 736 C PRO A 48 4.886 5.467 4.260 1.00 0.00 C ATOM 737 O PRO A 48 5.216 4.474 4.914 1.00 0.00 O ATOM 738 CB PRO A 48 3.408 5.050 2.238 1.00 0.00 C ATOM 739 CG PRO A 48 3.514 3.551 1.957 1.00 0.00 C ATOM 740 CD PRO A 48 4.962 3.379 1.501 1.00 0.00 C ATOM 0 HA PRO A 48 5.081 6.436 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.648 5.263 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.135 5.607 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.300 2.959 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.810 3.236 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.345 2.396 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.044 3.461 0.417 1.00 0.00 H new ATOM 748 N LEU A 49 4.515 6.620 4.820 1.00 0.00 N ATOM 749 CA LEU A 49 4.436 6.872 6.260 1.00 0.00 C ATOM 750 C LEU A 49 3.063 7.435 6.608 1.00 0.00 C ATOM 751 O LEU A 49 2.455 7.006 7.588 1.00 0.00 O ATOM 752 CB LEU A 49 5.520 7.880 6.673 1.00 0.00 C ATOM 753 CG LEU A 49 6.945 7.308 6.670 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.944 8.460 6.788 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.155 6.322 7.827 1.00 0.00 C ATOM 0 H LEU A 49 4.252 7.433 4.263 1.00 0.00 H new ATOM 0 HA LEU A 49 4.591 5.935 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.482 8.735 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.292 8.253 7.672 1.00 0.00 H new ATOM 0 HG LEU A 49 7.100 6.767 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.959 8.063 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.819 9.138 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.767 9.001 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.174 5.936 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.990 6.833 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.451 5.495 7.733 1.00 0.00 H new ATOM 767 N GLN A 50 2.565 8.364 5.791 1.00 0.00 N ATOM 768 CA GLN A 50 1.203 8.869 5.810 1.00 0.00 C ATOM 769 C GLN A 50 0.904 9.374 4.395 1.00 0.00 C ATOM 770 O GLN A 50 1.601 9.005 3.446 1.00 0.00 O ATOM 771 CB GLN A 50 0.966 9.880 6.965 1.00 0.00 C ATOM 772 CG GLN A 50 2.001 10.990 7.235 1.00 0.00 C ATOM 773 CD GLN A 50 1.914 12.218 6.336 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.904 12.113 5.119 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.888 13.413 6.900 1.00 0.00 N ATOM 0 H GLN A 50 3.133 8.802 5.065 1.00 0.00 H new ATOM 0 HA GLN A 50 0.478 8.091 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.008 10.366 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.859 9.304 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.895 11.314 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.998 10.561 7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.896 13.497 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.859 14.251 6.319 1.00 0.00 H new ATOM 784 N ASN A 51 -0.149 10.177 4.251 1.00 0.00 N ATOM 785 CA ASN A 51 -0.704 10.637 2.984 1.00 0.00 C ATOM 786 C ASN A 51 0.319 11.121 1.950 1.00 0.00 C ATOM 787 O ASN A 51 0.152 10.855 0.759 1.00 0.00 O ATOM 788 CB ASN A 51 -1.689 11.772 3.294 1.00 0.00 C ATOM 789 CG ASN A 51 -2.264 12.377 2.014 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.204 11.843 1.433 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.716 13.487 1.544 1.00 0.00 N ATOM 0 H ASN A 51 -0.661 10.541 5.055 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.179 9.772 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.500 11.392 3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.183 12.547 3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.075 13.910 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.935 13.919 2.038 1.00 0.00 H new ATOM 798 N ALA A 52 1.351 11.842 2.390 1.00 0.00 N ATOM 799 CA ALA A 52 2.328 12.505 1.566 1.00 0.00 C ATOM 800 C ALA A 52 3.757 12.175 1.998 1.00 0.00 C ATOM 801 O ALA A 52 4.650 12.276 1.164 1.00 0.00 O ATOM 802 CB ALA A 52 2.093 14.016 1.643 1.00 0.00 C ATOM 0 H ALA A 52 1.525 11.978 3.386 1.00 0.00 H new ATOM 0 HA ALA A 52 2.212 12.153 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.827 14.530 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.090 14.247 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.195 14.348 2.676 1.00 0.00 H new ATOM 808 N LEU A 53 4.015 11.825 3.263 1.00 0.00 N ATOM 809 CA LEU A 53 5.366 11.499 3.706 1.00 0.00 C ATOM 810 C LEU A 53 5.729 10.100 3.228 1.00 0.00 C ATOM 811 O LEU A 53 4.944 9.162 3.398 1.00 0.00 O ATOM 812 CB LEU A 53 5.547 11.563 5.232 1.00 0.00 C ATOM 813 CG LEU A 53 5.616 12.980 5.833 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.616 12.886 7.363 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.882 13.736 5.405 1.00 0.00 C ATOM 0 H LEU A 53 3.305 11.762 3.993 1.00 0.00 H new ATOM 0 HA LEU A 53 6.024 12.253 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.721 11.028 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.461 11.031 5.495 1.00 0.00 H new ATOM 0 HG LEU A 53 4.746 13.525 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.665 13.888 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.703 12.394 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.480 12.309 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.883 14.729 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.763 13.187 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.900 13.830 4.319 1.00 0.00 H new ATOM 827 N TYR A 54 6.956 9.956 2.732 1.00 0.00 N ATOM 828 CA TYR A 54 7.564 8.678 2.401 1.00 0.00 C ATOM 829 C TYR A 54 8.982 8.674 2.964 1.00 0.00 C ATOM 830 O TYR A 54 9.659 9.705 2.970 1.00 0.00 O ATOM 831 CB TYR A 54 7.606 8.441 0.879 1.00 0.00 C ATOM 832 CG TYR A 54 6.278 8.109 0.217 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.301 9.107 0.056 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.021 6.807 -0.260 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.055 8.805 -0.518 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.782 6.495 -0.846 1.00 0.00 C ATOM 837 CZ TYR A 54 3.786 7.494 -0.967 1.00 0.00 C ATOM 838 OH TYR A 54 2.568 7.210 -1.512 1.00 0.00 O ATOM 0 H TYR A 54 7.568 10.750 2.546 1.00 0.00 H new ATOM 0 HA TYR A 54 6.967 7.876 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.013 9.334 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.303 7.627 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.511 10.117 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.781 6.045 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.304 9.575 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.590 5.494 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 54 2.539 6.266 -1.773 1.00 0.00 H new ATOM 848 N CYS A 55 9.412 7.503 3.427 1.00 0.00 N ATOM 849 CA CYS A 55 10.784 7.185 3.794 1.00 0.00 C ATOM 850 C CYS A 55 11.676 7.344 2.559 1.00 0.00 C ATOM 851 O CYS A 55 11.185 7.159 1.448 1.00 0.00 O ATOM 852 CB CYS A 55 10.860 5.709 4.227 1.00 0.00 C ATOM 853 SG CYS A 55 9.544 5.224 5.380 1.00 0.00 S ATOM 0 H CYS A 55 8.780 6.714 3.562 1.00 0.00 H new ATOM 0 HA CYS A 55 11.106 7.844 4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.808 5.076 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.827 5.525 4.694 1.00 0.00 H new ATOM 0 HG CYS A 55 8.411 5.163 4.745 1.00 0.00 H new ATOM 859 N ILE A 56 12.979 7.554 2.738 1.00 0.00 N ATOM 860 CA ILE A 56 13.967 7.539 1.662 1.00 0.00 C ATOM 861 C ILE A 56 14.865 6.325 1.870 1.00 0.00 C ATOM 862 O ILE A 56 15.126 5.911 3.003 1.00 0.00 O ATOM 863 CB ILE A 56 14.805 8.841 1.662 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.917 10.089 1.458 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.909 8.816 0.576 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.613 11.365 1.941 1.00 0.00 C ATOM 0 H ILE A 56 13.385 7.743 3.654 1.00 0.00 H new ATOM 0 HA ILE A 56 13.465 7.478 0.696 1.00 0.00 H new ATOM 0 HB ILE A 56 15.279 8.899 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.667 10.189 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.979 9.960 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.474 9.748 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.581 7.978 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.450 8.705 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.957 12.220 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.840 11.276 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.538 11.508 1.383 1.00 0.00 H new ATOM 878 N ASN A 57 15.384 5.805 0.758 1.00 0.00 N ATOM 879 CA ASN A 57 16.443 4.811 0.624 1.00 0.00 C ATOM 880 C ASN A 57 16.020 3.410 1.029 1.00 0.00 C ATOM 881 O ASN A 57 16.216 2.503 0.222 1.00 0.00 O ATOM 882 CB ASN A 57 17.717 5.235 1.371 1.00 0.00 C ATOM 883 CG ASN A 57 18.866 4.320 0.988 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.283 3.452 1.747 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.375 4.495 -0.215 1.00 0.00 N ATOM 0 H ASN A 57 15.040 6.098 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 57 16.664 4.767 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.966 6.268 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.550 5.193 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.138 3.899 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.006 5.226 -0.823 1.00 0.00 H new ATOM 892 N ARG A 58 15.433 3.278 2.225 1.00 0.00 N ATOM 893 CA ARG A 58 14.879 2.107 2.921 1.00 0.00 C ATOM 894 C ARG A 58 14.843 2.338 4.444 1.00 0.00 C ATOM 895 O ARG A 58 14.766 1.361 5.190 1.00 0.00 O ATOM 896 CB ARG A 58 15.556 0.769 2.535 1.00 0.00 C ATOM 897 CG ARG A 58 17.053 0.695 2.900 1.00 0.00 C ATOM 898 CD ARG A 58 17.823 -0.279 2.000 1.00 0.00 C ATOM 899 NE ARG A 58 17.874 0.216 0.613 1.00 0.00 N ATOM 900 CZ ARG A 58 18.626 -0.264 -0.383 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.423 -1.311 -0.190 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.569 0.320 -1.577 1.00 0.00 N ATOM 0 H ARG A 58 15.320 4.107 2.809 1.00 0.00 H new ATOM 0 HA ARG A 58 13.851 2.000 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.031 -0.048 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.446 0.614 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.494 1.688 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.156 0.385 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.836 -0.410 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.345 -1.258 2.024 1.00 0.00 H new ATOM 0 HE ARG A 58 17.272 1.008 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.466 -1.757 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.992 -1.668 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.957 1.123 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.137 -0.035 -2.346 1.00 0.00 H new ATOM 916 N GLU A 59 14.913 3.585 4.937 1.00 0.00 N ATOM 917 CA GLU A 59 14.897 3.873 6.372 1.00 0.00 C ATOM 918 C GLU A 59 13.918 5.008 6.669 1.00 0.00 C ATOM 919 O GLU A 59 13.809 5.971 5.910 1.00 0.00 O ATOM 920 CB GLU A 59 16.311 4.159 6.902 1.00 0.00 C ATOM 921 CG GLU A 59 16.975 5.435 6.357 1.00 0.00 C ATOM 922 CD GLU A 59 18.435 5.547 6.833 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.673 5.776 8.040 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.361 5.398 6.002 1.00 0.00 O ATOM 0 H GLU A 59 14.982 4.417 4.350 1.00 0.00 H new ATOM 0 HA GLU A 59 14.547 2.989 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.266 4.229 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.949 3.308 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.944 5.428 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.414 6.310 6.686 1.00 0.00 H new ATOM 931 N LYS A 60 13.190 4.880 7.782 1.00 0.00 N ATOM 932 CA LYS A 60 12.050 5.742 8.094 1.00 0.00 C ATOM 933 C LYS A 60 12.449 7.169 8.456 1.00 0.00 C ATOM 934 O LYS A 60 11.631 8.076 8.310 1.00 0.00 O ATOM 935 CB LYS A 60 11.209 5.138 9.234 1.00 0.00 C ATOM 936 CG LYS A 60 10.601 3.772 8.874 1.00 0.00 C ATOM 937 CD LYS A 60 9.696 3.260 10.005 1.00 0.00 C ATOM 938 CE LYS A 60 9.146 1.851 9.730 1.00 0.00 C ATOM 939 NZ LYS A 60 8.180 1.808 8.601 1.00 0.00 N ATOM 0 H LYS A 60 13.377 4.173 8.493 1.00 0.00 H new ATOM 0 HA LYS A 60 11.458 5.797 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.834 5.029 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.407 5.830 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.025 3.857 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.398 3.053 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.258 3.251 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.864 3.951 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.977 1.180 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.659 1.476 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.846 0.832 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.370 2.425 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.647 2.137 7.732 1.00 0.00 H new ATOM 953 N LEU A 61 13.664 7.370 8.976 1.00 0.00 N ATOM 954 CA LEU A 61 14.070 8.647 9.553 1.00 0.00 C ATOM 955 C LEU A 61 14.193 9.720 8.480 1.00 0.00 C ATOM 956 O LEU A 61 13.810 10.868 8.700 1.00 0.00 O ATOM 957 CB LEU A 61 15.424 8.517 10.276 1.00 0.00 C ATOM 958 CG LEU A 61 15.503 7.414 11.346 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.882 7.453 12.003 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.400 7.549 12.399 1.00 0.00 C ATOM 0 H LEU A 61 14.388 6.652 9.007 1.00 0.00 H new ATOM 0 HA LEU A 61 13.299 8.935 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.197 8.331 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.658 9.472 10.746 1.00 0.00 H new ATOM 0 HG LEU A 61 15.352 6.452 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.945 6.674 12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.650 7.286 11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.036 8.427 12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.497 6.748 13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.491 8.513 12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.425 7.482 11.916 1.00 0.00 H new ATOM 972 N HIS A 62 14.758 9.344 7.335 1.00 0.00 N ATOM 973 CA HIS A 62 14.976 10.245 6.215 1.00 0.00 C ATOM 974 C HIS A 62 13.683 10.275 5.402 1.00 0.00 C ATOM 975 O HIS A 62 13.219 9.214 4.985 1.00 0.00 O ATOM 976 CB HIS A 62 16.156 9.736 5.369 1.00 0.00 C ATOM 977 CG HIS A 62 17.483 9.613 6.087 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.617 9.022 5.572 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.806 10.061 7.343 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.592 9.110 6.493 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.147 9.740 7.596 1.00 0.00 N ATOM 0 H HIS A 62 15.080 8.392 7.161 1.00 0.00 H new ATOM 0 HA HIS A 62 15.224 11.251 6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.892 8.759 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.285 10.408 4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.140 10.574 8.021 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.594 8.728 6.366 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.677 9.943 8.443 1.00 0.00 H new ATOM 989 N THR A 63 13.096 11.449 5.164 1.00 0.00 N ATOM 990 CA THR A 63 11.772 11.557 4.568 1.00 0.00 C ATOM 991 C THR A 63 11.696 12.617 3.464 1.00 0.00 C ATOM 992 O THR A 63 12.414 13.623 3.485 1.00 0.00 O ATOM 993 CB THR A 63 10.767 11.879 5.690 1.00 0.00 C ATOM 994 OG1 THR A 63 11.198 12.977 6.479 1.00 0.00 O ATOM 995 CG2 THR A 63 10.613 10.687 6.634 1.00 0.00 C ATOM 0 H THR A 63 13.528 12.348 5.380 1.00 0.00 H new ATOM 0 HA THR A 63 11.534 10.607 4.089 1.00 0.00 H new ATOM 0 HB THR A 63 9.823 12.116 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.537 13.155 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.899 10.935 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.252 9.824 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.578 10.451 7.082 1.00 0.00 H new ATOM 1003 N VAL A 64 10.775 12.401 2.529 1.00 0.00 N ATOM 1004 CA VAL A 64 10.308 13.366 1.551 1.00 0.00 C ATOM 1005 C VAL A 64 8.812 13.544 1.808 1.00 0.00 C ATOM 1006 O VAL A 64 8.188 12.685 2.438 1.00 0.00 O ATOM 1007 CB VAL A 64 10.534 12.882 0.105 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.991 12.989 -0.331 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.008 11.469 -0.184 1.00 0.00 C ATOM 0 H VAL A 64 10.312 11.497 2.432 1.00 0.00 H new ATOM 0 HA VAL A 64 10.861 14.300 1.655 1.00 0.00 H new ATOM 0 HB VAL A 64 9.935 13.571 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.091 12.635 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.313 14.029 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.613 12.380 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.210 11.211 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.507 10.754 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.933 11.437 -0.004 1.00 0.00 H new ATOM 1019 N LYS A 65 8.224 14.610 1.268 1.00 0.00 N ATOM 1020 CA LYS A 65 6.789 14.860 1.314 1.00 0.00 C ATOM 1021 C LYS A 65 6.317 15.124 -0.107 1.00 0.00 C ATOM 1022 O LYS A 65 6.881 15.975 -0.790 1.00 0.00 O ATOM 1023 CB LYS A 65 6.486 16.039 2.249 1.00 0.00 C ATOM 1024 CG LYS A 65 4.986 16.109 2.576 1.00 0.00 C ATOM 1025 CD LYS A 65 4.642 17.170 3.631 1.00 0.00 C ATOM 1026 CE LYS A 65 4.932 18.597 3.139 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.537 19.624 4.136 1.00 0.00 N ATOM 0 H LYS A 65 8.744 15.337 0.777 1.00 0.00 H new ATOM 0 HA LYS A 65 6.255 13.998 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.059 15.934 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.804 16.971 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.432 16.323 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.653 15.133 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.588 17.087 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.215 16.977 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.995 18.695 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.397 18.774 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.751 20.571 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.517 19.549 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.066 19.473 5.018 1.00 0.00 H new ATOM 1041 N VAL A 66 5.321 14.376 -0.561 1.00 0.00 N ATOM 1042 CA VAL A 66 4.738 14.499 -1.890 1.00 0.00 C ATOM 1043 C VAL A 66 4.004 15.842 -1.992 1.00 0.00 C ATOM 1044 O VAL A 66 3.405 16.306 -1.018 1.00 0.00 O ATOM 1045 CB VAL A 66 3.833 13.272 -2.149 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.006 13.383 -3.442 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.694 12.002 -2.268 1.00 0.00 C ATOM 0 H VAL A 66 4.884 13.646 0.001 1.00 0.00 H new ATOM 0 HA VAL A 66 5.500 14.502 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 66 3.148 13.227 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.395 12.488 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.360 14.259 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.677 13.480 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.050 11.142 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.394 12.113 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.249 11.850 -1.342 1.00 0.00 H new ATOM 1057 N LEU A 67 4.029 16.441 -3.186 1.00 0.00 N ATOM 1058 CA LEU A 67 3.360 17.699 -3.510 1.00 0.00 C ATOM 1059 C LEU A 67 2.384 17.487 -4.670 1.00 0.00 C ATOM 1060 O LEU A 67 1.294 18.059 -4.659 1.00 0.00 O ATOM 1061 CB LEU A 67 4.395 18.769 -3.907 1.00 0.00 C ATOM 1062 CG LEU A 67 5.500 19.048 -2.871 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.540 19.974 -3.506 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.976 19.669 -1.573 1.00 0.00 C ATOM 0 H LEU A 67 4.534 16.047 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 67 2.814 18.037 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.867 18.462 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.867 19.701 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 67 5.939 18.090 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.331 20.182 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.968 19.492 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.063 20.909 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.808 19.839 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.489 20.619 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.258 18.992 -1.110 1.00 0.00 H new ATOM 1076 N SER A 68 2.745 16.667 -5.664 1.00 0.00 N ATOM 1077 CA SER A 68 1.908 16.247 -6.791 1.00 0.00 C ATOM 1078 C SER A 68 2.559 15.015 -7.432 1.00 0.00 C ATOM 1079 O SER A 68 3.736 14.750 -7.183 1.00 0.00 O ATOM 1080 CB SER A 68 1.810 17.382 -7.825 1.00 0.00 C ATOM 1081 OG SER A 68 1.058 18.474 -7.325 1.00 0.00 O ATOM 0 H SER A 68 3.678 16.258 -5.705 1.00 0.00 H new ATOM 0 HA SER A 68 0.902 16.008 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.811 17.720 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.346 17.006 -8.737 1.00 0.00 H new ATOM 0 HG SER A 68 1.002 18.413 -6.348 1.00 0.00 H new ATOM 1087 N ALA A 69 1.835 14.270 -8.273 1.00 0.00 N ATOM 1088 CA ALA A 69 2.389 13.163 -9.049 1.00 0.00 C ATOM 1089 C ALA A 69 1.536 12.912 -10.294 1.00 0.00 C ATOM 1090 O ALA A 69 0.369 13.314 -10.341 1.00 0.00 O ATOM 1091 CB ALA A 69 2.453 11.901 -8.177 1.00 0.00 C ATOM 0 H ALA A 69 0.839 14.422 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 69 3.398 13.420 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.867 11.077 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.088 12.089 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.450 11.640 -7.841 1.00 0.00 H new ATOM 1097 N SER A 70 2.111 12.225 -11.281 1.00 0.00 N ATOM 1098 CA SER A 70 1.454 11.878 -12.541 1.00 0.00 C ATOM 1099 C SER A 70 2.163 10.687 -13.195 1.00 0.00 C ATOM 1100 O SER A 70 3.356 10.476 -12.979 1.00 0.00 O ATOM 1101 CB SER A 70 1.438 13.107 -13.474 1.00 0.00 C ATOM 1102 OG SER A 70 2.645 13.854 -13.467 1.00 0.00 O ATOM 0 H SER A 70 3.071 11.886 -11.225 1.00 0.00 H new ATOM 0 HA SER A 70 0.422 11.584 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.235 12.775 -14.492 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.616 13.761 -13.182 1.00 0.00 H new ATOM 0 HG SER A 70 2.463 14.772 -13.758 1.00 0.00 H new ATOM 1108 N SER A 71 1.446 9.900 -14.002 1.00 0.00 N ATOM 1109 CA SER A 71 2.021 8.855 -14.847 1.00 0.00 C ATOM 1110 C SER A 71 3.110 9.454 -15.751 1.00 0.00 C ATOM 1111 O SER A 71 2.996 10.607 -16.182 1.00 0.00 O ATOM 1112 CB SER A 71 0.906 8.208 -15.679 1.00 0.00 C ATOM 1113 OG SER A 71 -0.193 7.846 -14.853 1.00 0.00 O ATOM 0 H SER A 71 0.432 9.974 -14.086 1.00 0.00 H new ATOM 0 HA SER A 71 2.483 8.088 -14.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.573 8.901 -16.452 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.291 7.324 -16.188 1.00 0.00 H new ATOM 0 HG SER A 71 -0.894 7.437 -15.402 1.00 0.00 H new ATOM 1119 N TYR A 72 4.177 8.694 -16.024 1.00 0.00 N ATOM 1120 CA TYR A 72 5.350 9.250 -16.687 1.00 0.00 C ATOM 1121 C TYR A 72 5.042 9.664 -18.124 1.00 0.00 C ATOM 1122 O TYR A 72 4.368 8.946 -18.867 1.00 0.00 O ATOM 1123 CB TYR A 72 6.534 8.271 -16.666 1.00 0.00 C ATOM 1124 CG TYR A 72 7.688 8.715 -17.556 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.478 9.824 -17.192 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.908 8.085 -18.797 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.476 10.303 -18.058 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.909 8.555 -19.666 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.700 9.669 -19.300 1.00 0.00 C ATOM 1130 OH TYR A 72 10.674 10.138 -20.129 1.00 0.00 O ATOM 0 H TYR A 72 4.248 7.702 -15.796 1.00 0.00 H new ATOM 0 HA TYR A 72 5.631 10.140 -16.124 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.892 8.164 -15.642 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.191 7.288 -16.988 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.315 10.309 -16.241 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.304 7.236 -19.083 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.072 11.157 -17.773 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.074 8.065 -20.614 1.00 0.00 H new ATOM 0 HH TYR A 72 10.702 9.592 -20.943 1.00 0.00 H new ATOM 1140 N SER A 73 5.580 10.816 -18.516 1.00 0.00 N ATOM 1141 CA SER A 73 5.690 11.280 -19.888 1.00 0.00 C ATOM 1142 C SER A 73 6.851 12.287 -19.899 1.00 0.00 C ATOM 1143 O SER A 73 7.036 12.985 -18.900 1.00 0.00 O ATOM 1144 CB SER A 73 4.365 11.902 -20.345 1.00 0.00 C ATOM 1145 OG SER A 73 3.395 10.894 -20.561 1.00 0.00 O ATOM 0 H SER A 73 5.969 11.482 -17.848 1.00 0.00 H new ATOM 0 HA SER A 73 5.892 10.469 -20.588 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.007 12.605 -19.592 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.520 12.469 -21.263 1.00 0.00 H new ATOM 0 HG SER A 73 3.684 10.064 -20.128 1.00 0.00 H new ATOM 1151 N PRO A 74 7.643 12.379 -20.980 1.00 0.00 N ATOM 1152 CA PRO A 74 8.887 13.144 -20.970 1.00 0.00 C ATOM 1153 C PRO A 74 8.651 14.634 -20.724 1.00 0.00 C ATOM 1154 O PRO A 74 9.299 15.233 -19.867 1.00 0.00 O ATOM 1155 CB PRO A 74 9.553 12.887 -22.327 1.00 0.00 C ATOM 1156 CG PRO A 74 8.445 12.318 -23.213 1.00 0.00 C ATOM 1157 CD PRO A 74 7.501 11.640 -22.225 1.00 0.00 C ATOM 0 HA PRO A 74 9.529 12.826 -20.149 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.960 13.807 -22.747 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.382 12.185 -22.233 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.939 13.103 -23.775 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.839 11.609 -23.941 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.472 11.669 -22.583 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.762 10.590 -22.090 1.00 0.00 H new ATOM 1165 N ASP A 75 7.707 15.238 -21.449 1.00 0.00 N ATOM 1166 CA ASP A 75 7.424 16.661 -21.288 1.00 0.00 C ATOM 1167 C ASP A 75 6.779 16.933 -19.928 1.00 0.00 C ATOM 1168 O ASP A 75 7.096 17.929 -19.290 1.00 0.00 O ATOM 1169 CB ASP A 75 6.544 17.173 -22.432 1.00 0.00 C ATOM 1170 CG ASP A 75 6.423 18.705 -22.398 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.447 19.405 -22.562 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.286 19.211 -22.268 1.00 0.00 O ATOM 0 H ASP A 75 7.131 14.767 -22.147 1.00 0.00 H new ATOM 0 HA ASP A 75 8.368 17.205 -21.325 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.966 16.860 -23.387 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.553 16.726 -22.360 1.00 0.00 H new ATOM 1177 N GLU A 76 5.931 16.022 -19.438 1.00 0.00 N ATOM 1178 CA GLU A 76 5.296 16.116 -18.122 1.00 0.00 C ATOM 1179 C GLU A 76 6.327 16.031 -16.987 1.00 0.00 C ATOM 1180 O GLU A 76 6.155 16.669 -15.947 1.00 0.00 O ATOM 1181 CB GLU A 76 4.234 15.008 -18.009 1.00 0.00 C ATOM 1182 CG GLU A 76 3.535 14.847 -16.649 1.00 0.00 C ATOM 1183 CD GLU A 76 2.721 16.054 -16.144 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.570 17.070 -16.861 1.00 0.00 O ATOM 1185 OE2 GLU A 76 2.198 15.957 -15.009 1.00 0.00 O ATOM 0 H GLU A 76 5.663 15.185 -19.955 1.00 0.00 H new ATOM 0 HA GLU A 76 4.815 17.089 -18.022 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.469 15.194 -18.763 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.707 14.059 -18.261 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.868 13.987 -16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.293 14.611 -15.902 1.00 0.00 H new ATOM 1192 N TRP A 77 7.398 15.259 -17.173 1.00 0.00 N ATOM 1193 CA TRP A 77 8.524 15.201 -16.257 1.00 0.00 C ATOM 1194 C TRP A 77 9.230 16.554 -16.258 1.00 0.00 C ATOM 1195 O TRP A 77 9.408 17.159 -15.199 1.00 0.00 O ATOM 1196 CB TRP A 77 9.431 14.028 -16.676 1.00 0.00 C ATOM 1197 CG TRP A 77 10.843 14.016 -16.180 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.241 14.227 -14.908 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.067 13.787 -16.946 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.616 14.142 -14.830 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.182 13.889 -16.061 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.351 13.520 -18.303 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.507 13.744 -16.500 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.676 13.362 -18.753 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.753 13.475 -17.857 1.00 0.00 C ATOM 0 H TRP A 77 7.504 14.647 -17.982 1.00 0.00 H new ATOM 0 HA TRP A 77 8.210 15.013 -15.230 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.954 13.104 -16.348 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.460 14.002 -17.765 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.583 14.432 -14.077 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.148 14.253 -13.967 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.538 13.435 -19.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.327 13.838 -15.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.866 13.152 -19.795 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.766 13.355 -18.210 1.00 0.00 H new ATOM 1216 N GLU A 78 9.585 17.068 -17.436 1.00 0.00 N ATOM 1217 CA GLU A 78 10.366 18.294 -17.532 1.00 0.00 C ATOM 1218 C GLU A 78 9.588 19.524 -17.068 1.00 0.00 C ATOM 1219 O GLU A 78 10.177 20.399 -16.434 1.00 0.00 O ATOM 1220 CB GLU A 78 10.928 18.460 -18.947 1.00 0.00 C ATOM 1221 CG GLU A 78 12.026 17.419 -19.219 1.00 0.00 C ATOM 1222 CD GLU A 78 12.706 17.655 -20.580 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.208 17.167 -21.620 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.761 18.328 -20.624 1.00 0.00 O ATOM 0 H GLU A 78 9.342 16.652 -18.335 1.00 0.00 H new ATOM 0 HA GLU A 78 11.207 18.205 -16.845 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.127 18.350 -19.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.334 19.464 -19.067 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.773 17.461 -18.426 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.594 16.419 -19.196 1.00 0.00 H new ATOM 1231 N ARG A 79 8.271 19.567 -17.286 1.00 0.00 N ATOM 1232 CA ARG A 79 7.376 20.572 -16.707 1.00 0.00 C ATOM 1233 C ARG A 79 7.603 20.674 -15.202 1.00 0.00 C ATOM 1234 O ARG A 79 7.888 21.756 -14.690 1.00 0.00 O ATOM 1235 CB ARG A 79 5.920 20.153 -16.954 1.00 0.00 C ATOM 1236 CG ARG A 79 5.365 20.479 -18.347 1.00 0.00 C ATOM 1237 CD ARG A 79 3.994 19.800 -18.529 1.00 0.00 C ATOM 1238 NE ARG A 79 3.842 19.229 -19.875 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.911 18.363 -20.290 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.055 17.789 -19.450 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.870 18.081 -21.584 1.00 0.00 N ATOM 0 H ARG A 79 7.789 18.893 -17.880 1.00 0.00 H new ATOM 0 HA ARG A 79 7.580 21.536 -17.172 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.837 19.078 -16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.290 20.638 -16.208 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.267 21.558 -18.467 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.057 20.135 -19.115 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.877 19.012 -17.785 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.202 20.527 -18.351 1.00 0.00 H new ATOM 0 HE ARG A 79 4.524 19.527 -20.572 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.096 18.005 -18.454 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.358 17.133 -19.802 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.533 18.519 -22.223 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.175 17.425 -21.941 1.00 0.00 H new ATOM 1255 N GLN A 80 7.493 19.547 -14.494 1.00 0.00 N ATOM 1256 CA GLN A 80 7.613 19.507 -13.043 1.00 0.00 C ATOM 1257 C GLN A 80 9.017 19.958 -12.626 1.00 0.00 C ATOM 1258 O GLN A 80 9.166 20.687 -11.643 1.00 0.00 O ATOM 1259 CB GLN A 80 7.240 18.099 -12.527 1.00 0.00 C ATOM 1260 CG GLN A 80 5.742 17.818 -12.747 1.00 0.00 C ATOM 1261 CD GLN A 80 5.313 16.381 -12.447 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.114 15.994 -11.299 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.121 15.579 -13.482 1.00 0.00 N ATOM 0 H GLN A 80 7.318 18.636 -14.917 1.00 0.00 H new ATOM 0 HA GLN A 80 6.913 20.204 -12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.836 17.347 -13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.478 18.020 -11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.163 18.495 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.490 18.050 -13.782 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.292 15.918 -14.429 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.802 14.622 -13.333 1.00 0.00 H new ATOM 1272 N CYS A 81 10.050 19.605 -13.400 1.00 0.00 N ATOM 1273 CA CYS A 81 11.424 20.017 -13.122 1.00 0.00 C ATOM 1274 C CYS A 81 11.597 21.537 -13.152 1.00 0.00 C ATOM 1275 O CYS A 81 12.410 22.062 -12.390 1.00 0.00 O ATOM 1276 CB CYS A 81 12.385 19.387 -14.131 1.00 0.00 C ATOM 1277 SG CYS A 81 12.310 17.577 -14.037 1.00 0.00 S ATOM 0 H CYS A 81 9.954 19.027 -14.235 1.00 0.00 H new ATOM 0 HA CYS A 81 11.654 19.670 -12.115 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.130 19.715 -15.139 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.402 19.725 -13.933 1.00 0.00 H new ATOM 0 HG CYS A 81 13.325 17.135 -13.356 1.00 0.00 H new ATOM 1283 N LYS A 82 10.841 22.263 -13.986 1.00 0.00 N ATOM 1284 CA LYS A 82 10.921 23.720 -14.022 1.00 0.00 C ATOM 1285 C LYS A 82 10.515 24.267 -12.667 1.00 0.00 C ATOM 1286 O LYS A 82 11.148 25.196 -12.174 1.00 0.00 O ATOM 1287 CB LYS A 82 10.036 24.350 -15.117 1.00 0.00 C ATOM 1288 CG LYS A 82 10.203 23.807 -16.541 1.00 0.00 C ATOM 1289 CD LYS A 82 11.659 23.728 -17.019 1.00 0.00 C ATOM 1290 CE LYS A 82 11.675 23.215 -18.462 1.00 0.00 C ATOM 1291 NZ LYS A 82 13.048 23.132 -19.020 1.00 0.00 N ATOM 0 H LYS A 82 10.170 21.862 -14.641 1.00 0.00 H new ATOM 0 HA LYS A 82 11.951 23.983 -14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.993 24.223 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.233 25.422 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.761 22.812 -16.592 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.641 24.441 -17.227 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.129 24.710 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.233 23.062 -16.375 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.211 22.229 -18.499 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.072 23.875 -19.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.005 22.780 -19.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.484 24.076 -19.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.619 22.482 -18.443 1.00 0.00 H new ATOM 1305 N VAL A 83 9.499 23.670 -12.044 1.00 0.00 N ATOM 1306 CA VAL A 83 8.976 24.149 -10.781 1.00 0.00 C ATOM 1307 C VAL A 83 10.035 23.968 -9.681 1.00 0.00 C ATOM 1308 O VAL A 83 10.284 24.900 -8.917 1.00 0.00 O ATOM 1309 CB VAL A 83 7.632 23.461 -10.453 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.901 24.241 -9.354 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.683 23.373 -11.662 1.00 0.00 C ATOM 0 H VAL A 83 9.022 22.844 -12.406 1.00 0.00 H new ATOM 0 HA VAL A 83 8.761 25.216 -10.848 1.00 0.00 H new ATOM 0 HB VAL A 83 7.884 22.449 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.954 23.750 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.518 24.270 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.710 25.258 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.758 22.879 -11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.459 24.377 -12.022 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.159 22.800 -12.458 1.00 0.00 H new ATOM 1321 N ALA A 84 10.725 22.819 -9.646 1.00 0.00 N ATOM 1322 CA ALA A 84 11.868 22.597 -8.756 1.00 0.00 C ATOM 1323 C ALA A 84 12.983 23.618 -9.006 1.00 0.00 C ATOM 1324 O ALA A 84 13.575 24.136 -8.060 1.00 0.00 O ATOM 1325 CB ALA A 84 12.386 21.168 -8.941 1.00 0.00 C ATOM 0 H ALA A 84 10.504 22.017 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 84 11.537 22.730 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.236 21.001 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.594 20.460 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.697 21.025 -9.976 1.00 0.00 H new ATOM 1331 N GLY A 85 13.233 23.957 -10.272 1.00 0.00 N ATOM 1332 CA GLY A 85 14.192 24.981 -10.666 1.00 0.00 C ATOM 1333 C GLY A 85 13.688 26.413 -10.454 1.00 0.00 C ATOM 1334 O GLY A 85 14.374 27.343 -10.867 1.00 0.00 O ATOM 0 H GLY A 85 12.764 23.517 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.112 24.842 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.443 24.846 -11.718 1.00 0.00 H new ATOM 1338 N LYS A 86 12.506 26.619 -9.851 1.00 0.00 N ATOM 1339 CA LYS A 86 11.826 27.914 -9.708 1.00 0.00 C ATOM 1340 C LYS A 86 11.748 28.691 -11.035 1.00 0.00 C ATOM 1341 O LYS A 86 11.742 29.922 -11.051 1.00 0.00 O ATOM 1342 CB LYS A 86 12.450 28.685 -8.526 1.00 0.00 C ATOM 1343 CG LYS A 86 11.520 29.753 -7.918 1.00 0.00 C ATOM 1344 CD LYS A 86 12.026 30.261 -6.559 1.00 0.00 C ATOM 1345 CE LYS A 86 13.398 30.944 -6.669 1.00 0.00 C ATOM 1346 NZ LYS A 86 14.060 31.101 -5.354 1.00 0.00 N ATOM 0 H LYS A 86 11.977 25.854 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 86 10.777 27.756 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.729 27.974 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.368 29.166 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.434 30.592 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.520 29.335 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.304 30.964 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.093 29.425 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.040 30.359 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.276 31.924 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.092 31.105 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.762 31.998 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.792 30.310 -4.734 1.00 0.00 H new ATOM 1360 N THR A 87 11.667 27.960 -12.149 1.00 0.00 N ATOM 1361 CA THR A 87 11.620 28.463 -13.518 1.00 0.00 C ATOM 1362 C THR A 87 12.721 29.517 -13.757 1.00 0.00 C ATOM 1363 O THR A 87 12.478 30.587 -14.320 1.00 0.00 O ATOM 1364 CB THR A 87 10.177 28.895 -13.867 1.00 0.00 C ATOM 1365 OG1 THR A 87 9.232 27.969 -13.343 1.00 0.00 O ATOM 1366 CG2 THR A 87 9.924 28.945 -15.379 1.00 0.00 C ATOM 0 H THR A 87 11.630 26.941 -12.114 1.00 0.00 H new ATOM 0 HA THR A 87 11.859 27.674 -14.230 1.00 0.00 H new ATOM 0 HB THR A 87 10.062 29.888 -13.433 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.325 28.261 -13.573 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.896 29.254 -15.566 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.607 29.660 -15.839 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.090 27.957 -15.808 1.00 0.00 H new ATOM 1374 N GLN A 88 13.946 29.218 -13.308 1.00 0.00 N ATOM 1375 CA GLN A 88 15.140 30.021 -13.542 1.00 0.00 C ATOM 1376 C GLN A 88 16.341 29.096 -13.772 1.00 0.00 C ATOM 1377 O GLN A 88 16.189 27.858 -13.687 1.00 0.00 O ATOM 1378 CB GLN A 88 15.370 31.019 -12.385 1.00 0.00 C ATOM 1379 CG GLN A 88 15.532 30.367 -11.002 1.00 0.00 C ATOM 1380 CD GLN A 88 15.881 31.394 -9.923 1.00 0.00 C ATOM 1381 OE1 GLN A 88 15.009 31.930 -9.245 1.00 0.00 O ATOM 1382 NE2 GLN A 88 17.157 31.691 -9.736 1.00 0.00 N ATOM 1383 OXT GLN A 88 17.438 29.607 -14.078 1.00 0.00 O ATOM 0 H GLN A 88 14.134 28.382 -12.754 1.00 0.00 H new ATOM 0 HA GLN A 88 15.006 30.623 -14.441 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.262 31.607 -12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.531 31.713 -12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.608 29.856 -10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.314 29.609 -11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.874 31.240 -10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.423 32.371 -9.024 1.00 0.00 H new TER 1392 GLN A 88