USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 734 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 72 ASN : amide:sc= -0.0982 K(o=-0.16,f=-3.4) USER MOD Set 1.2: A 75 MET CE :methyl -137:sc= -0.059 (180deg=-0.0133) USER MOD Set 1.3: A 76 LYS NZ :NH3+ -168:sc=-0.00156 (180deg=0.0749) USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0.806 USER MOD Set 2.2: A 51 GLN : amide:sc= -4.03! K(o=-3.2!,f=1.5) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 156:sc= 1.15 (180deg=-0.306) USER MOD Set 3.2: A 23 GLN : amide:sc= 0.904 K(o=2,f=-5.4!) USER MOD Set 4.1: A 6 SER OG : rot -159:sc= 1.23 USER MOD Set 4.2: A 9 ASN : amide:sc= -2.37 K(o=-1.1,f=-0.076) USER MOD Set 5.1: A 1 SER N :NH3+ -175:sc= 0.978 (180deg=0.0886) USER MOD Set 5.2: A 50 GLN : amide:sc= -0.0922 K(o=0.89,f=-16!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0824) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.028 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0621 (180deg=-0.388) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.46! (180deg=-0.965!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0474 (180deg=-0.282) USER MOD Single : A 25 THR OG1 : rot 16:sc= 0.812 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 33 GLN : amide:sc= -0.37 X(o=-0.37,f=0.0084!) USER MOD Single : A 35 CYS SG : rot 76:sc= 1.18 USER MOD Single : A 38 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.15) USER MOD Single : A 42 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.023) USER MOD Single : A 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.013) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 140:sc= -0.525 (180deg=-1.14) USER MOD Single : A 53 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 56 SER OG : rot 13:sc= 0.871 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 60 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.043) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 63 TYR OH : rot -48:sc= 0.0299 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.0546 (180deg=-0.33) USER MOD Single : A 65 GLN : amide:sc= -0.0911 X(o=-0.091,f=-0.08) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 71 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.048) USER MOD Single : A 73 GLN : amide:sc= -0.0798 K(o=-0.08,f=-0.69) USER MOD Single : A 77 SER OG : rot -83:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ 171:sc=-0.00385 (180deg=-0.106) USER MOD Single : A 81 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.9) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0603) USER MOD Single : A 83 ASN : amide:sc= -0.699 K(o=-0.7,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.335 12.529 -3.883 1.00 0.00 N ATOM 2 CA SER A 1 -6.464 13.367 -3.462 1.00 0.00 C ATOM 3 C SER A 1 -5.998 14.358 -2.401 1.00 0.00 C ATOM 4 O SER A 1 -5.353 13.968 -1.427 1.00 0.00 O ATOM 5 CB SER A 1 -7.581 12.465 -2.929 1.00 0.00 C ATOM 6 OG SER A 1 -8.742 13.207 -2.591 1.00 0.00 O ATOM 0 H1 SER A 1 -5.633 11.912 -4.665 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.552 13.135 -4.199 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.019 11.945 -3.083 1.00 0.00 H new ATOM 0 HA SER A 1 -6.850 13.937 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.834 11.717 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.225 11.927 -2.051 1.00 0.00 H new ATOM 0 HG SER A 1 -9.433 12.598 -2.256 1.00 0.00 H new ATOM 14 N LYS A 2 -6.305 15.644 -2.622 1.00 0.00 N ATOM 15 CA LYS A 2 -5.909 16.721 -1.712 1.00 0.00 C ATOM 16 C LYS A 2 -4.390 16.919 -1.715 1.00 0.00 C ATOM 17 O LYS A 2 -3.711 16.579 -2.686 1.00 0.00 O ATOM 18 CB LYS A 2 -6.406 16.443 -0.286 1.00 0.00 C ATOM 19 CG LYS A 2 -7.907 16.622 -0.103 1.00 0.00 C ATOM 20 CD LYS A 2 -8.327 18.072 -0.309 1.00 0.00 C ATOM 21 CE LYS A 2 -7.628 19.012 0.666 1.00 0.00 C ATOM 22 NZ LYS A 2 -7.961 18.702 2.081 1.00 0.00 N ATOM 0 H LYS A 2 -6.833 15.963 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.373 17.640 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.137 15.423 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.885 17.107 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.439 15.984 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.194 16.298 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.098 18.374 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.407 18.158 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.549 18.943 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.913 20.040 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.561 19.435 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.994 18.677 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.561 17.777 2.337 1.00 0.00 H new ATOM 36 N GLN A 3 -3.877 17.494 -0.634 1.00 0.00 N ATOM 37 CA GLN A 3 -2.450 17.751 -0.484 1.00 0.00 C ATOM 38 C GLN A 3 -1.869 16.819 0.573 1.00 0.00 C ATOM 39 O GLN A 3 -1.889 17.133 1.765 1.00 0.00 O ATOM 40 CB GLN A 3 -2.191 19.209 -0.111 1.00 0.00 C ATOM 41 CG GLN A 3 -2.615 20.195 -1.187 1.00 0.00 C ATOM 42 CD GLN A 3 -2.312 21.627 -0.809 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.138 22.310 -0.205 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.122 22.091 -1.152 1.00 0.00 N ATOM 0 H GLN A 3 -4.438 17.795 0.163 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.960 17.560 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.723 19.440 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.128 19.340 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.105 19.953 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.684 20.089 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.466 21.492 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.860 23.048 -0.916 1.00 0.00 H new ATOM 53 N PRO A 4 -1.411 15.627 0.153 1.00 0.00 N ATOM 54 CA PRO A 4 -0.952 14.577 1.067 1.00 0.00 C ATOM 55 C PRO A 4 0.212 15.008 1.953 1.00 0.00 C ATOM 56 O PRO A 4 1.378 14.864 1.586 1.00 0.00 O ATOM 57 CB PRO A 4 -0.515 13.438 0.135 1.00 0.00 C ATOM 58 CG PRO A 4 -1.179 13.726 -1.165 1.00 0.00 C ATOM 59 CD PRO A 4 -1.280 15.219 -1.253 1.00 0.00 C ATOM 0 HA PRO A 4 -1.742 14.301 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.569 13.411 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.820 12.468 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.600 13.324 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.165 13.264 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.397 15.656 -1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.140 15.531 -1.845 1.00 0.00 H new ATOM 67 N THR A 5 -0.119 15.559 3.110 1.00 0.00 N ATOM 68 CA THR A 5 0.875 15.869 4.119 1.00 0.00 C ATOM 69 C THR A 5 1.246 14.597 4.876 1.00 0.00 C ATOM 70 O THR A 5 2.321 14.493 5.469 1.00 0.00 O ATOM 71 CB THR A 5 0.360 16.949 5.103 1.00 0.00 C ATOM 72 OG1 THR A 5 1.376 17.292 6.055 1.00 0.00 O ATOM 73 CG2 THR A 5 -0.881 16.466 5.836 1.00 0.00 C ATOM 0 H THR A 5 -1.075 15.801 3.372 1.00 0.00 H new ATOM 0 HA THR A 5 1.759 16.269 3.622 1.00 0.00 H new ATOM 0 HB THR A 5 0.104 17.834 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.033 17.976 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.224 17.241 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.667 16.246 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.643 15.564 6.399 1.00 0.00 H new ATOM 81 N SER A 6 0.353 13.620 4.819 1.00 0.00 N ATOM 82 CA SER A 6 0.567 12.349 5.477 1.00 0.00 C ATOM 83 C SER A 6 1.303 11.401 4.538 1.00 0.00 C ATOM 84 O SER A 6 0.717 10.835 3.616 1.00 0.00 O ATOM 85 CB SER A 6 -0.768 11.743 5.922 1.00 0.00 C ATOM 86 OG SER A 6 -0.575 10.588 6.719 1.00 0.00 O ATOM 0 H SER A 6 -0.533 13.689 4.318 1.00 0.00 H new ATOM 0 HA SER A 6 1.178 12.508 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.335 12.484 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.362 11.486 5.045 1.00 0.00 H new ATOM 0 HG SER A 6 -1.393 10.048 6.716 1.00 0.00 H new ATOM 92 N ALA A 7 2.603 11.288 4.753 1.00 0.00 N ATOM 93 CA ALA A 7 3.448 10.379 3.995 1.00 0.00 C ATOM 94 C ALA A 7 4.638 9.989 4.851 1.00 0.00 C ATOM 95 O ALA A 7 5.032 8.825 4.929 1.00 0.00 O ATOM 96 CB ALA A 7 3.909 11.024 2.693 1.00 0.00 C ATOM 0 H ALA A 7 3.104 11.826 5.460 1.00 0.00 H new ATOM 0 HA ALA A 7 2.878 9.487 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.540 10.325 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.040 11.282 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.477 11.927 2.916 1.00 0.00 H new ATOM 102 N GLU A 8 5.198 10.987 5.509 1.00 0.00 N ATOM 103 CA GLU A 8 6.270 10.772 6.457 1.00 0.00 C ATOM 104 C GLU A 8 5.683 10.404 7.818 1.00 0.00 C ATOM 105 O GLU A 8 5.421 11.269 8.651 1.00 0.00 O ATOM 106 CB GLU A 8 7.131 12.034 6.558 1.00 0.00 C ATOM 107 CG GLU A 8 8.265 11.937 7.559 1.00 0.00 C ATOM 108 CD GLU A 8 9.024 13.236 7.686 1.00 0.00 C ATOM 109 OE1 GLU A 8 8.381 14.306 7.774 1.00 0.00 O ATOM 110 OE2 GLU A 8 10.268 13.199 7.719 1.00 0.00 O ATOM 0 H GLU A 8 4.923 11.963 5.401 1.00 0.00 H new ATOM 0 HA GLU A 8 6.902 9.951 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.547 12.255 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.493 12.874 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.865 11.655 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.950 11.146 7.254 1.00 0.00 H new ATOM 117 N ASN A 9 5.405 9.124 8.010 1.00 0.00 N ATOM 118 CA ASN A 9 4.891 8.639 9.286 1.00 0.00 C ATOM 119 C ASN A 9 5.987 7.907 10.040 1.00 0.00 C ATOM 120 O ASN A 9 6.221 6.722 9.821 1.00 0.00 O ATOM 121 CB ASN A 9 3.684 7.714 9.090 1.00 0.00 C ATOM 122 CG ASN A 9 2.392 8.449 8.749 1.00 0.00 C ATOM 123 OD1 ASN A 9 1.304 8.000 9.105 1.00 0.00 O ATOM 124 ND2 ASN A 9 2.492 9.577 8.062 1.00 0.00 N ATOM 0 H ASN A 9 5.526 8.401 7.301 1.00 0.00 H new ATOM 0 HA ASN A 9 4.562 9.501 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.908 7.004 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.531 7.134 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.652 10.099 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.409 9.923 7.781 1.00 0.00 H new ATOM 131 N SER A 10 6.667 8.624 10.916 1.00 0.00 N ATOM 132 CA SER A 10 7.807 8.080 11.640 1.00 0.00 C ATOM 133 C SER A 10 7.369 7.402 12.935 1.00 0.00 C ATOM 134 O SER A 10 8.123 7.347 13.908 1.00 0.00 O ATOM 135 CB SER A 10 8.792 9.210 11.937 1.00 0.00 C ATOM 136 OG SER A 10 8.124 10.331 12.499 1.00 0.00 O ATOM 0 H SER A 10 6.449 9.593 11.146 1.00 0.00 H new ATOM 0 HA SER A 10 8.289 7.323 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.560 8.857 12.625 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.299 9.507 11.019 1.00 0.00 H new ATOM 0 HG SER A 10 8.774 11.041 12.682 1.00 0.00 H new ATOM 142 N VAL A 11 6.162 6.861 12.936 1.00 0.00 N ATOM 143 CA VAL A 11 5.602 6.265 14.138 1.00 0.00 C ATOM 144 C VAL A 11 5.286 4.788 13.932 1.00 0.00 C ATOM 145 O VAL A 11 4.889 4.377 12.841 1.00 0.00 O ATOM 146 CB VAL A 11 4.319 6.998 14.594 1.00 0.00 C ATOM 147 CG1 VAL A 11 4.637 8.417 15.035 1.00 0.00 C ATOM 148 CG2 VAL A 11 3.273 7.015 13.490 1.00 0.00 C ATOM 0 H VAL A 11 5.552 6.822 12.120 1.00 0.00 H new ATOM 0 HA VAL A 11 6.361 6.364 14.914 1.00 0.00 H new ATOM 0 HB VAL A 11 3.911 6.450 15.443 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.720 8.914 15.352 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.341 8.390 15.867 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.079 8.966 14.203 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.383 7.537 13.840 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.674 7.528 12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.011 5.992 13.221 1.00 0.00 H new ATOM 158 N ALA A 12 5.493 4.002 14.992 1.00 0.00 N ATOM 159 CA ALA A 12 5.132 2.585 15.020 1.00 0.00 C ATOM 160 C ALA A 12 5.926 1.760 14.009 1.00 0.00 C ATOM 161 O ALA A 12 6.909 2.227 13.429 1.00 0.00 O ATOM 162 CB ALA A 12 3.633 2.415 14.793 1.00 0.00 C ATOM 0 H ALA A 12 5.918 4.334 15.858 1.00 0.00 H new ATOM 0 HA ALA A 12 5.389 2.207 16.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.379 1.355 14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.085 2.937 15.577 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.362 2.831 13.823 1.00 0.00 H new ATOM 168 N LYS A 13 5.514 0.511 13.839 1.00 0.00 N ATOM 169 CA LYS A 13 6.134 -0.386 12.873 1.00 0.00 C ATOM 170 C LYS A 13 5.105 -0.777 11.831 1.00 0.00 C ATOM 171 O LYS A 13 5.390 -0.835 10.636 1.00 0.00 O ATOM 172 CB LYS A 13 6.683 -1.630 13.579 1.00 0.00 C ATOM 173 CG LYS A 13 7.627 -1.292 14.720 1.00 0.00 C ATOM 174 CD LYS A 13 8.198 -2.532 15.381 1.00 0.00 C ATOM 175 CE LYS A 13 9.130 -2.162 16.525 1.00 0.00 C ATOM 176 NZ LYS A 13 10.239 -1.277 16.078 1.00 0.00 N ATOM 0 H LYS A 13 4.745 0.093 14.363 1.00 0.00 H new ATOM 0 HA LYS A 13 6.967 0.121 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.851 -2.220 13.964 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.206 -2.253 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.443 -0.675 14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.096 -0.698 15.464 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.386 -3.155 15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.740 -3.125 14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.561 -1.662 17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.545 -3.070 16.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.988 -1.267 16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.627 -1.633 15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.879 -0.311 15.940 1.00 0.00 H new ATOM 190 N LYS A 14 3.900 -1.047 12.313 1.00 0.00 N ATOM 191 CA LYS A 14 2.744 -1.240 11.459 1.00 0.00 C ATOM 192 C LYS A 14 1.630 -0.323 11.922 1.00 0.00 C ATOM 193 O LYS A 14 1.792 0.428 12.885 1.00 0.00 O ATOM 194 CB LYS A 14 2.228 -2.685 11.504 1.00 0.00 C ATOM 195 CG LYS A 14 3.054 -3.689 10.721 1.00 0.00 C ATOM 196 CD LYS A 14 2.357 -5.046 10.639 1.00 0.00 C ATOM 197 CE LYS A 14 1.298 -5.111 9.534 1.00 0.00 C ATOM 198 NZ LYS A 14 0.142 -4.196 9.765 1.00 0.00 N ATOM 0 H LYS A 14 3.700 -1.138 13.309 1.00 0.00 H new ATOM 0 HA LYS A 14 3.047 -1.015 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.185 -3.007 12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.207 -2.702 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.232 -3.309 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.029 -3.808 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.103 -5.821 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.887 -5.265 11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.763 -4.862 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.931 -6.134 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.631 -4.441 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.188 -4.295 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.438 -3.213 9.596 1.00 0.00 H new ATOM 212 N GLU A 15 0.501 -0.403 11.249 1.00 0.00 N ATOM 213 CA GLU A 15 -0.705 0.275 11.683 1.00 0.00 C ATOM 214 C GLU A 15 -1.199 -0.372 12.974 1.00 0.00 C ATOM 215 O GLU A 15 -1.918 0.239 13.768 1.00 0.00 O ATOM 216 CB GLU A 15 -1.795 0.176 10.608 1.00 0.00 C ATOM 217 CG GLU A 15 -1.271 0.010 9.182 1.00 0.00 C ATOM 218 CD GLU A 15 -0.842 -1.413 8.874 1.00 0.00 C ATOM 219 OE1 GLU A 15 -1.711 -2.243 8.548 1.00 0.00 O ATOM 220 OE2 GLU A 15 0.365 -1.712 8.991 1.00 0.00 O ATOM 0 H GLU A 15 0.392 -0.938 10.388 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.482 1.328 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.443 -0.668 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.412 1.073 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.046 0.311 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.425 0.680 9.030 1.00 0.00 H new ATOM 227 N ASP A 16 -0.790 -1.620 13.168 1.00 0.00 N ATOM 228 CA ASP A 16 -1.171 -2.394 14.338 1.00 0.00 C ATOM 229 C ASP A 16 0.006 -2.496 15.293 1.00 0.00 C ATOM 230 O ASP A 16 1.164 -2.429 14.874 1.00 0.00 O ATOM 231 CB ASP A 16 -1.602 -3.809 13.939 1.00 0.00 C ATOM 232 CG ASP A 16 -2.338 -3.850 12.619 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.539 -3.507 12.587 1.00 0.00 O ATOM 234 OD2 ASP A 16 -1.704 -4.217 11.605 1.00 0.00 O ATOM 0 H ASP A 16 -0.185 -2.122 12.518 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.007 -1.887 14.821 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.721 -4.448 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.242 -4.222 14.719 1.00 0.00 H new ATOM 239 N LYS A 17 -0.289 -2.688 16.565 1.00 0.00 N ATOM 240 CA LYS A 17 0.743 -2.837 17.583 1.00 0.00 C ATOM 241 C LYS A 17 1.141 -4.311 17.716 1.00 0.00 C ATOM 242 O LYS A 17 1.376 -4.819 18.815 1.00 0.00 O ATOM 243 CB LYS A 17 0.221 -2.296 18.917 1.00 0.00 C ATOM 244 CG LYS A 17 1.291 -2.146 19.989 1.00 0.00 C ATOM 245 CD LYS A 17 0.686 -1.730 21.318 1.00 0.00 C ATOM 246 CE LYS A 17 1.739 -1.633 22.407 1.00 0.00 C ATOM 247 NZ LYS A 17 1.132 -1.298 23.720 1.00 0.00 N ATOM 0 H LYS A 17 -1.242 -2.745 16.923 1.00 0.00 H new ATOM 0 HA LYS A 17 1.627 -2.270 17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.245 -1.326 18.746 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.558 -2.963 19.287 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.823 -3.090 20.109 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.024 -1.404 19.673 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.188 -0.767 21.206 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.077 -2.451 21.612 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.274 -2.580 22.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.473 -0.873 22.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.878 -1.239 24.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.642 -0.383 23.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.450 -2.037 23.986 1.00 0.00 H new ATOM 261 N VAL A 18 1.219 -4.994 16.584 1.00 0.00 N ATOM 262 CA VAL A 18 1.547 -6.413 16.564 1.00 0.00 C ATOM 263 C VAL A 18 2.811 -6.659 15.737 1.00 0.00 C ATOM 264 O VAL A 18 2.740 -6.905 14.533 1.00 0.00 O ATOM 265 CB VAL A 18 0.383 -7.260 15.997 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.682 -8.749 16.125 1.00 0.00 C ATOM 267 CG2 VAL A 18 -0.930 -6.913 16.690 1.00 0.00 C ATOM 0 H VAL A 18 1.059 -4.587 15.663 1.00 0.00 H new ATOM 0 HA VAL A 18 1.722 -6.720 17.595 1.00 0.00 H new ATOM 0 HB VAL A 18 0.281 -7.024 14.938 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.151 -9.324 15.720 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.590 -8.987 15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.821 -9.003 17.176 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.733 -7.522 16.274 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.841 -7.111 17.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.156 -5.858 16.534 1.00 0.00 H new ATOM 277 N PRO A 19 3.991 -6.538 16.359 1.00 0.00 N ATOM 278 CA PRO A 19 5.267 -6.769 15.693 1.00 0.00 C ATOM 279 C PRO A 19 5.623 -8.253 15.648 1.00 0.00 C ATOM 280 O PRO A 19 6.273 -8.781 16.556 1.00 0.00 O ATOM 281 CB PRO A 19 6.279 -5.997 16.557 1.00 0.00 C ATOM 282 CG PRO A 19 5.490 -5.399 17.684 1.00 0.00 C ATOM 283 CD PRO A 19 4.196 -6.158 17.754 1.00 0.00 C ATOM 0 HA PRO A 19 5.251 -6.441 14.654 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.056 -6.661 16.935 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.777 -5.222 15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.036 -5.478 18.624 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.308 -4.339 17.509 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.268 -7.028 18.407 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.381 -5.541 18.133 1.00 0.00 H new ATOM 291 N VAL A 20 5.169 -8.929 14.600 1.00 0.00 N ATOM 292 CA VAL A 20 5.421 -10.345 14.423 1.00 0.00 C ATOM 293 C VAL A 20 5.835 -10.617 12.984 1.00 0.00 C ATOM 294 O VAL A 20 5.000 -10.908 12.130 1.00 0.00 O ATOM 295 CB VAL A 20 4.179 -11.211 14.757 1.00 0.00 C ATOM 296 CG1 VAL A 20 4.498 -12.699 14.643 1.00 0.00 C ATOM 297 CG2 VAL A 20 3.642 -10.889 16.142 1.00 0.00 C ATOM 0 H VAL A 20 4.617 -8.508 13.853 1.00 0.00 H new ATOM 0 HA VAL A 20 6.219 -10.617 15.113 1.00 0.00 H new ATOM 0 HB VAL A 20 3.407 -10.970 14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.608 -13.281 14.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.817 -12.926 13.626 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.297 -12.954 15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.771 -11.512 16.348 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.414 -11.086 16.886 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.355 -9.838 16.186 1.00 0.00 H new ATOM 307 N LYS A 21 7.117 -10.464 12.703 1.00 0.00 N ATOM 308 CA LYS A 21 7.634 -10.741 11.370 1.00 0.00 C ATOM 309 C LYS A 21 9.079 -11.219 11.443 1.00 0.00 C ATOM 310 O LYS A 21 9.830 -10.821 12.335 1.00 0.00 O ATOM 311 CB LYS A 21 7.550 -9.492 10.476 1.00 0.00 C ATOM 312 CG LYS A 21 8.677 -8.490 10.691 1.00 0.00 C ATOM 313 CD LYS A 21 8.552 -7.303 9.750 1.00 0.00 C ATOM 314 CE LYS A 21 9.832 -6.478 9.709 1.00 0.00 C ATOM 315 NZ LYS A 21 10.962 -7.221 9.081 1.00 0.00 N ATOM 0 H LYS A 21 7.818 -10.151 13.375 1.00 0.00 H new ATOM 0 HA LYS A 21 7.019 -11.528 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.553 -9.806 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.597 -8.994 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.663 -8.141 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.637 -8.981 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.315 -7.658 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.723 -6.672 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.651 -5.558 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.108 -6.189 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.657 -6.544 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.418 -7.826 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.600 -7.812 8.305 1.00 0.00 H new ATOM 329 N LYS A 22 9.445 -12.097 10.526 1.00 0.00 N ATOM 330 CA LYS A 22 10.838 -12.473 10.331 1.00 0.00 C ATOM 331 C LYS A 22 11.045 -12.845 8.870 1.00 0.00 C ATOM 332 O LYS A 22 11.711 -13.826 8.537 1.00 0.00 O ATOM 333 CB LYS A 22 11.254 -13.633 11.245 1.00 0.00 C ATOM 334 CG LYS A 22 12.764 -13.839 11.270 1.00 0.00 C ATOM 335 CD LYS A 22 13.171 -15.038 12.107 1.00 0.00 C ATOM 336 CE LYS A 22 14.681 -15.225 12.072 1.00 0.00 C ATOM 337 NZ LYS A 22 15.123 -16.372 12.903 1.00 0.00 N ATOM 0 H LYS A 22 8.792 -12.567 9.899 1.00 0.00 H new ATOM 0 HA LYS A 22 11.467 -11.623 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.899 -13.440 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.770 -14.550 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.127 -13.971 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.244 -12.944 11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.840 -14.900 13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.679 -15.935 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.002 -15.380 11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.166 -14.315 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.158 -16.461 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.840 -16.214 13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.681 -17.246 12.552 1.00 0.00 H new ATOM 351 N GLN A 23 10.446 -12.056 7.998 1.00 0.00 N ATOM 352 CA GLN A 23 10.606 -12.254 6.574 1.00 0.00 C ATOM 353 C GLN A 23 11.770 -11.423 6.058 1.00 0.00 C ATOM 354 O GLN A 23 12.165 -10.437 6.682 1.00 0.00 O ATOM 355 CB GLN A 23 9.308 -11.934 5.810 1.00 0.00 C ATOM 356 CG GLN A 23 8.476 -10.781 6.373 1.00 0.00 C ATOM 357 CD GLN A 23 9.145 -9.424 6.256 1.00 0.00 C ATOM 358 OE1 GLN A 23 9.824 -8.971 7.178 1.00 0.00 O ATOM 359 NE2 GLN A 23 8.964 -8.769 5.120 1.00 0.00 N ATOM 0 H GLN A 23 9.845 -11.273 8.253 1.00 0.00 H new ATOM 0 HA GLN A 23 10.828 -13.307 6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.564 -11.702 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.688 -12.830 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.519 -10.749 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.262 -10.980 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.394 -9.179 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.395 -7.854 4.985 1.00 0.00 H new ATOM 368 N LYS A 24 12.335 -11.840 4.943 1.00 0.00 N ATOM 369 CA LYS A 24 13.459 -11.137 4.362 1.00 0.00 C ATOM 370 C LYS A 24 13.085 -10.591 2.997 1.00 0.00 C ATOM 371 O LYS A 24 13.226 -9.395 2.750 1.00 0.00 O ATOM 372 CB LYS A 24 14.671 -12.065 4.253 1.00 0.00 C ATOM 373 CG LYS A 24 15.914 -11.384 3.703 1.00 0.00 C ATOM 374 CD LYS A 24 17.142 -12.270 3.837 1.00 0.00 C ATOM 375 CE LYS A 24 17.445 -12.589 5.292 1.00 0.00 C ATOM 376 NZ LYS A 24 17.608 -11.357 6.107 1.00 0.00 N ATOM 0 H LYS A 24 12.033 -12.663 4.421 1.00 0.00 H new ATOM 0 HA LYS A 24 13.722 -10.302 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.896 -12.471 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.415 -12.908 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.758 -11.133 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.081 -10.447 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.985 -13.197 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.001 -11.773 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.639 -13.194 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.355 -13.186 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.009 -11.605 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.247 -10.699 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.681 -10.904 6.241 1.00 0.00 H new ATOM 390 N THR A 25 12.583 -11.474 2.129 1.00 0.00 N ATOM 391 CA THR A 25 12.202 -11.116 0.761 1.00 0.00 C ATOM 392 C THR A 25 13.314 -10.334 0.052 1.00 0.00 C ATOM 393 O THR A 25 14.478 -10.387 0.458 1.00 0.00 O ATOM 394 CB THR A 25 10.867 -10.327 0.720 1.00 0.00 C ATOM 395 OG1 THR A 25 10.924 -9.169 1.562 1.00 0.00 O ATOM 396 CG2 THR A 25 9.709 -11.214 1.152 1.00 0.00 C ATOM 0 H THR A 25 12.430 -12.457 2.355 1.00 0.00 H new ATOM 0 HA THR A 25 12.051 -12.052 0.223 1.00 0.00 H new ATOM 0 HB THR A 25 10.708 -10.002 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.858 -8.969 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.781 -10.643 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.635 -12.069 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.880 -11.566 2.169 1.00 0.00 H new ATOM 404 N ARG A 26 12.976 -9.663 -1.040 1.00 0.00 N ATOM 405 CA ARG A 26 13.947 -8.831 -1.736 1.00 0.00 C ATOM 406 C ARG A 26 13.611 -7.356 -1.536 1.00 0.00 C ATOM 407 O ARG A 26 14.491 -6.496 -1.568 1.00 0.00 O ATOM 408 CB ARG A 26 13.987 -9.186 -3.224 1.00 0.00 C ATOM 409 CG ARG A 26 15.216 -8.658 -3.950 1.00 0.00 C ATOM 410 CD ARG A 26 16.510 -9.071 -3.250 1.00 0.00 C ATOM 411 NE ARG A 26 16.494 -10.476 -2.825 1.00 0.00 N ATOM 412 CZ ARG A 26 16.803 -11.507 -3.613 1.00 0.00 C ATOM 413 NH1 ARG A 26 17.167 -11.305 -4.875 1.00 0.00 N ATOM 414 NH2 ARG A 26 16.755 -12.743 -3.124 1.00 0.00 N ATOM 0 H ARG A 26 12.047 -9.678 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 26 14.936 -9.018 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.952 -10.270 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.094 -8.790 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.222 -9.031 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.165 -7.571 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.352 -8.908 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.669 -8.433 -2.380 1.00 0.00 H new ATOM 0 HE ARG A 26 16.228 -10.678 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.212 -10.356 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.402 -12.099 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.483 -12.897 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.990 -13.537 -3.720 1.00 0.00 H new ATOM 428 N THR A 27 12.334 -7.079 -1.318 1.00 0.00 N ATOM 429 CA THR A 27 11.875 -5.738 -1.015 1.00 0.00 C ATOM 430 C THR A 27 10.924 -5.780 0.166 1.00 0.00 C ATOM 431 O THR A 27 10.063 -6.656 0.247 1.00 0.00 O ATOM 432 CB THR A 27 11.165 -5.082 -2.213 1.00 0.00 C ATOM 433 OG1 THR A 27 10.203 -5.987 -2.772 1.00 0.00 O ATOM 434 CG2 THR A 27 12.163 -4.663 -3.283 1.00 0.00 C ATOM 0 H THR A 27 11.591 -7.777 -1.347 1.00 0.00 H new ATOM 0 HA THR A 27 12.754 -5.138 -0.777 1.00 0.00 H new ATOM 0 HB THR A 27 10.655 -4.188 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.755 -5.560 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.632 -4.203 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.868 -3.946 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.705 -5.539 -3.638 1.00 0.00 H new ATOM 442 N VAL A 28 11.073 -4.831 1.069 1.00 0.00 N ATOM 443 CA VAL A 28 10.301 -4.829 2.299 1.00 0.00 C ATOM 444 C VAL A 28 9.505 -3.545 2.439 1.00 0.00 C ATOM 445 O VAL A 28 9.867 -2.512 1.874 1.00 0.00 O ATOM 446 CB VAL A 28 11.200 -5.005 3.544 1.00 0.00 C ATOM 447 CG1 VAL A 28 11.872 -6.366 3.531 1.00 0.00 C ATOM 448 CG2 VAL A 28 12.245 -3.903 3.627 1.00 0.00 C ATOM 0 H VAL A 28 11.722 -4.050 0.975 1.00 0.00 H new ATOM 0 HA VAL A 28 9.618 -5.677 2.240 1.00 0.00 H new ATOM 0 HB VAL A 28 10.563 -4.937 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.500 -6.470 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.112 -7.147 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.487 -6.460 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.862 -4.053 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.874 -3.930 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.748 -2.935 3.691 1.00 0.00 H new ATOM 458 N PHE A 29 8.422 -3.619 3.195 1.00 0.00 N ATOM 459 CA PHE A 29 7.592 -2.461 3.447 1.00 0.00 C ATOM 460 C PHE A 29 8.134 -1.680 4.631 1.00 0.00 C ATOM 461 O PHE A 29 8.403 -2.245 5.693 1.00 0.00 O ATOM 462 CB PHE A 29 6.150 -2.881 3.734 1.00 0.00 C ATOM 463 CG PHE A 29 5.441 -3.513 2.567 1.00 0.00 C ATOM 464 CD1 PHE A 29 5.555 -4.871 2.318 1.00 0.00 C ATOM 465 CD2 PHE A 29 4.650 -2.744 1.727 1.00 0.00 C ATOM 466 CE1 PHE A 29 4.899 -5.450 1.249 1.00 0.00 C ATOM 467 CE2 PHE A 29 3.990 -3.318 0.657 1.00 0.00 C ATOM 468 CZ PHE A 29 4.115 -4.673 0.418 1.00 0.00 C ATOM 0 H PHE A 29 8.099 -4.475 3.645 1.00 0.00 H new ATOM 0 HA PHE A 29 7.606 -1.832 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.148 -3.583 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.586 -2.005 4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.163 -5.484 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.549 -1.685 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.999 -6.509 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.378 -2.709 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.600 -5.124 -0.417 1.00 0.00 H new ATOM 478 N SER A 30 8.301 -0.386 4.441 1.00 0.00 N ATOM 479 CA SER A 30 8.777 0.484 5.501 1.00 0.00 C ATOM 480 C SER A 30 7.613 0.893 6.398 1.00 0.00 C ATOM 481 O SER A 30 6.459 0.885 5.959 1.00 0.00 O ATOM 482 CB SER A 30 9.446 1.718 4.897 1.00 0.00 C ATOM 483 OG SER A 30 10.422 1.345 3.938 1.00 0.00 O ATOM 0 H SER A 30 8.113 0.089 3.558 1.00 0.00 H new ATOM 0 HA SER A 30 9.510 -0.051 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.693 2.352 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.912 2.307 5.687 1.00 0.00 H new ATOM 0 HG SER A 30 10.836 2.150 3.563 1.00 0.00 H new ATOM 489 N SER A 31 7.920 1.247 7.643 1.00 0.00 N ATOM 490 CA SER A 31 6.904 1.669 8.601 1.00 0.00 C ATOM 491 C SER A 31 6.067 2.807 8.022 1.00 0.00 C ATOM 492 O SER A 31 4.842 2.820 8.143 1.00 0.00 O ATOM 493 CB SER A 31 7.583 2.127 9.890 1.00 0.00 C ATOM 494 OG SER A 31 8.713 1.314 10.181 1.00 0.00 O ATOM 0 H SER A 31 8.871 1.250 8.013 1.00 0.00 H new ATOM 0 HA SER A 31 6.244 0.828 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.893 3.168 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.874 2.081 10.716 1.00 0.00 H new ATOM 0 HG SER A 31 9.135 1.625 11.009 1.00 0.00 H new ATOM 500 N THR A 32 6.744 3.742 7.363 1.00 0.00 N ATOM 501 CA THR A 32 6.092 4.879 6.736 1.00 0.00 C ATOM 502 C THR A 32 5.131 4.423 5.643 1.00 0.00 C ATOM 503 O THR A 32 3.991 4.877 5.575 1.00 0.00 O ATOM 504 CB THR A 32 7.139 5.821 6.120 1.00 0.00 C ATOM 505 OG1 THR A 32 8.079 5.058 5.350 1.00 0.00 O ATOM 506 CG2 THR A 32 7.880 6.596 7.194 1.00 0.00 C ATOM 0 H THR A 32 7.758 3.730 7.251 1.00 0.00 H new ATOM 0 HA THR A 32 5.530 5.406 7.507 1.00 0.00 H new ATOM 0 HB THR A 32 6.620 6.533 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.745 5.660 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.614 7.254 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.170 7.193 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.389 5.899 7.860 1.00 0.00 H new ATOM 514 N GLN A 33 5.602 3.498 4.813 1.00 0.00 N ATOM 515 CA GLN A 33 4.846 3.025 3.662 1.00 0.00 C ATOM 516 C GLN A 33 3.567 2.314 4.103 1.00 0.00 C ATOM 517 O GLN A 33 2.501 2.531 3.529 1.00 0.00 O ATOM 518 CB GLN A 33 5.726 2.096 2.816 1.00 0.00 C ATOM 519 CG GLN A 33 5.090 1.641 1.513 1.00 0.00 C ATOM 520 CD GLN A 33 6.075 0.913 0.621 1.00 0.00 C ATOM 521 OE1 GLN A 33 6.236 -0.300 0.710 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.743 1.656 -0.248 1.00 0.00 N ATOM 0 H GLN A 33 6.516 3.057 4.920 1.00 0.00 H new ATOM 0 HA GLN A 33 4.552 3.882 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.661 2.608 2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.979 1.217 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.247 0.986 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.692 2.506 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.580 2.662 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.421 1.222 -0.875 1.00 0.00 H new ATOM 531 N LEU A 34 3.674 1.486 5.136 1.00 0.00 N ATOM 532 CA LEU A 34 2.515 0.782 5.678 1.00 0.00 C ATOM 533 C LEU A 34 1.490 1.770 6.226 1.00 0.00 C ATOM 534 O LEU A 34 0.285 1.605 6.028 1.00 0.00 O ATOM 535 CB LEU A 34 2.946 -0.189 6.778 1.00 0.00 C ATOM 536 CG LEU A 34 3.780 -1.378 6.303 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.261 -2.202 7.485 1.00 0.00 C ATOM 538 CD2 LEU A 34 2.973 -2.245 5.346 1.00 0.00 C ATOM 0 H LEU A 34 4.551 1.285 5.616 1.00 0.00 H new ATOM 0 HA LEU A 34 2.053 0.216 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.519 0.362 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.054 -0.567 7.277 1.00 0.00 H new ATOM 0 HG LEU A 34 4.652 -0.995 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.853 -3.044 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.874 -1.580 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.402 -2.575 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.582 -3.087 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.083 -2.617 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.676 -1.652 4.481 1.00 0.00 H new ATOM 550 N CYS A 35 1.980 2.801 6.904 1.00 0.00 N ATOM 551 CA CYS A 35 1.112 3.827 7.459 1.00 0.00 C ATOM 552 C CYS A 35 0.384 4.584 6.350 1.00 0.00 C ATOM 553 O CYS A 35 -0.796 4.882 6.479 1.00 0.00 O ATOM 554 CB CYS A 35 1.911 4.798 8.329 1.00 0.00 C ATOM 555 SG CYS A 35 2.681 4.033 9.775 1.00 0.00 S ATOM 0 H CYS A 35 2.974 2.947 7.082 1.00 0.00 H new ATOM 0 HA CYS A 35 0.367 3.334 8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.687 5.260 7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.250 5.598 8.663 1.00 0.00 H new ATOM 0 HG CYS A 35 3.723 3.351 9.402 1.00 0.00 H new ATOM 561 N VAL A 36 1.086 4.874 5.258 1.00 0.00 N ATOM 562 CA VAL A 36 0.484 5.579 4.126 1.00 0.00 C ATOM 563 C VAL A 36 -0.580 4.716 3.445 1.00 0.00 C ATOM 564 O VAL A 36 -1.626 5.214 3.026 1.00 0.00 O ATOM 565 CB VAL A 36 1.543 6.001 3.083 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.891 6.703 1.903 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.589 6.901 3.718 1.00 0.00 C ATOM 0 H VAL A 36 2.069 4.633 5.131 1.00 0.00 H new ATOM 0 HA VAL A 36 0.017 6.478 4.529 1.00 0.00 H new ATOM 0 HB VAL A 36 2.034 5.099 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.657 6.990 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.179 6.029 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.369 7.594 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.326 7.188 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.108 7.795 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.085 6.367 4.528 1.00 0.00 H new ATOM 577 N LEU A 37 -0.312 3.422 3.341 1.00 0.00 N ATOM 578 CA LEU A 37 -1.274 2.499 2.756 1.00 0.00 C ATOM 579 C LEU A 37 -2.539 2.440 3.610 1.00 0.00 C ATOM 580 O LEU A 37 -3.656 2.472 3.089 1.00 0.00 O ATOM 581 CB LEU A 37 -0.661 1.105 2.609 1.00 0.00 C ATOM 582 CG LEU A 37 0.536 1.023 1.656 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.109 -0.385 1.624 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.136 1.462 0.256 1.00 0.00 C ATOM 0 H LEU A 37 0.558 2.990 3.652 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.542 2.861 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.348 0.756 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.433 0.420 2.259 1.00 0.00 H new ATOM 0 HG LEU A 37 1.308 1.698 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.957 -0.417 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.438 -0.667 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.343 -1.082 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.999 1.397 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.657 0.813 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.222 2.491 0.286 1.00 0.00 H new ATOM 596 N ASN A 38 -2.355 2.376 4.924 1.00 0.00 N ATOM 597 CA ASN A 38 -3.480 2.394 5.855 1.00 0.00 C ATOM 598 C ASN A 38 -4.170 3.751 5.829 1.00 0.00 C ATOM 599 O ASN A 38 -5.389 3.836 5.919 1.00 0.00 O ATOM 600 CB ASN A 38 -3.009 2.089 7.276 1.00 0.00 C ATOM 601 CG ASN A 38 -4.161 1.952 8.256 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.619 2.933 8.845 1.00 0.00 O ATOM 603 ND2 ASN A 38 -4.618 0.726 8.456 1.00 0.00 N ATOM 0 H ASN A 38 -1.440 2.311 5.369 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.187 1.626 5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.428 1.167 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.343 2.884 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.377 0.566 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.211 -0.059 7.948 1.00 0.00 H new ATOM 610 N ASP A 39 -3.369 4.800 5.678 1.00 0.00 N ATOM 611 CA ASP A 39 -3.855 6.178 5.646 1.00 0.00 C ATOM 612 C ASP A 39 -4.952 6.336 4.601 1.00 0.00 C ATOM 613 O ASP A 39 -5.994 6.949 4.856 1.00 0.00 O ATOM 614 CB ASP A 39 -2.680 7.116 5.330 1.00 0.00 C ATOM 615 CG ASP A 39 -3.077 8.571 5.195 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.537 8.972 4.104 1.00 0.00 O ATOM 617 OD2 ASP A 39 -2.912 9.327 6.180 1.00 0.00 O ATOM 0 H ASP A 39 -2.358 4.719 5.574 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.277 6.433 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.933 7.025 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.207 6.791 4.403 1.00 0.00 H new ATOM 622 N ARG A 40 -4.719 5.749 3.438 1.00 0.00 N ATOM 623 CA ARG A 40 -5.673 5.813 2.343 1.00 0.00 C ATOM 624 C ARG A 40 -6.851 4.874 2.571 1.00 0.00 C ATOM 625 O ARG A 40 -7.996 5.297 2.527 1.00 0.00 O ATOM 626 CB ARG A 40 -4.990 5.477 1.018 1.00 0.00 C ATOM 627 CG ARG A 40 -4.666 6.698 0.169 1.00 0.00 C ATOM 628 CD ARG A 40 -3.782 7.693 0.900 1.00 0.00 C ATOM 629 NE ARG A 40 -3.465 8.840 0.056 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.129 10.040 0.523 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.072 10.263 1.834 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.852 11.029 -0.324 1.00 0.00 N ATOM 0 H ARG A 40 -3.873 5.220 3.228 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.055 6.833 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.068 4.933 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.634 4.809 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.169 6.379 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.594 7.189 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.285 8.033 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.860 7.203 1.212 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.503 8.714 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.287 9.511 2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.814 11.186 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.897 10.867 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.594 11.949 0.033 1.00 0.00 H new ATOM 646 N PHE A 41 -6.558 3.612 2.853 1.00 0.00 N ATOM 647 CA PHE A 41 -7.594 2.584 2.942 1.00 0.00 C ATOM 648 C PHE A 41 -8.490 2.761 4.166 1.00 0.00 C ATOM 649 O PHE A 41 -9.600 2.232 4.210 1.00 0.00 O ATOM 650 CB PHE A 41 -6.970 1.190 2.931 1.00 0.00 C ATOM 651 CG PHE A 41 -6.517 0.789 1.562 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.375 0.928 0.490 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.246 0.286 1.342 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.980 0.579 -0.777 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.841 -0.069 0.072 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.712 0.076 -0.991 1.00 0.00 C ATOM 0 H PHE A 41 -5.612 3.272 3.025 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.229 2.696 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.121 1.167 3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.696 0.465 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.370 1.316 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.565 0.170 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.661 0.698 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.847 -0.459 -0.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.402 -0.203 -1.987 1.00 0.00 H new ATOM 666 N GLN A 42 -8.009 3.482 5.167 1.00 0.00 N ATOM 667 CA GLN A 42 -8.795 3.697 6.373 1.00 0.00 C ATOM 668 C GLN A 42 -9.849 4.779 6.140 1.00 0.00 C ATOM 669 O GLN A 42 -10.999 4.634 6.558 1.00 0.00 O ATOM 670 CB GLN A 42 -7.875 4.076 7.545 1.00 0.00 C ATOM 671 CG GLN A 42 -8.495 3.901 8.927 1.00 0.00 C ATOM 672 CD GLN A 42 -9.190 5.147 9.448 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.567 5.993 10.087 1.00 0.00 O ATOM 674 NE2 GLN A 42 -10.482 5.264 9.187 1.00 0.00 N ATOM 0 H GLN A 42 -7.090 3.924 5.170 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.311 2.770 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.970 3.471 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.570 5.116 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.214 3.083 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.715 3.610 9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.962 4.539 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.998 6.079 9.520 1.00 0.00 H new ATOM 683 N ARG A 43 -9.460 5.853 5.457 1.00 0.00 N ATOM 684 CA ARG A 43 -10.353 6.996 5.271 1.00 0.00 C ATOM 685 C ARG A 43 -10.990 6.990 3.884 1.00 0.00 C ATOM 686 O ARG A 43 -11.879 7.793 3.594 1.00 0.00 O ATOM 687 CB ARG A 43 -9.591 8.301 5.489 1.00 0.00 C ATOM 688 CG ARG A 43 -8.892 8.366 6.837 1.00 0.00 C ATOM 689 CD ARG A 43 -8.190 9.695 7.037 1.00 0.00 C ATOM 690 NE ARG A 43 -7.309 9.678 8.202 1.00 0.00 N ATOM 691 CZ ARG A 43 -5.980 9.652 8.121 1.00 0.00 C ATOM 692 NH1 ARG A 43 -5.393 9.610 6.932 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.247 9.662 9.226 1.00 0.00 N ATOM 0 H ARG A 43 -8.541 5.957 5.026 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.152 6.916 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.851 8.419 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.284 9.138 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.621 8.215 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.167 7.556 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.609 9.936 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.933 10.483 7.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.735 9.687 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.959 9.598 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.375 9.590 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.701 9.690 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.229 9.642 9.163 1.00 0.00 H new ATOM 707 N GLN A 44 -10.518 6.096 3.034 1.00 0.00 N ATOM 708 CA GLN A 44 -11.070 5.923 1.703 1.00 0.00 C ATOM 709 C GLN A 44 -11.243 4.432 1.449 1.00 0.00 C ATOM 710 O GLN A 44 -10.355 3.648 1.766 1.00 0.00 O ATOM 711 CB GLN A 44 -10.127 6.528 0.656 1.00 0.00 C ATOM 712 CG GLN A 44 -10.811 6.964 -0.629 1.00 0.00 C ATOM 713 CD GLN A 44 -11.573 8.263 -0.463 1.00 0.00 C ATOM 714 OE1 GLN A 44 -11.025 9.347 -0.665 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.842 8.167 -0.109 1.00 0.00 N ATOM 0 H GLN A 44 -9.742 5.470 3.247 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.032 6.431 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.622 7.389 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.357 5.796 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.064 7.082 -1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.497 6.182 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.259 7.250 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.405 9.010 0.006 1.00 0.00 H new ATOM 724 N LYS A 45 -12.371 4.042 0.875 1.00 0.00 N ATOM 725 CA LYS A 45 -12.679 2.625 0.691 1.00 0.00 C ATOM 726 C LYS A 45 -11.686 1.963 -0.256 1.00 0.00 C ATOM 727 O LYS A 45 -11.274 0.826 -0.040 1.00 0.00 O ATOM 728 CB LYS A 45 -14.104 2.454 0.167 1.00 0.00 C ATOM 729 CG LYS A 45 -15.167 2.896 1.160 1.00 0.00 C ATOM 730 CD LYS A 45 -16.556 2.849 0.547 1.00 0.00 C ATOM 731 CE LYS A 45 -17.618 3.267 1.551 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.961 3.371 0.927 1.00 0.00 N ATOM 0 H LYS A 45 -13.087 4.680 0.529 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.598 2.136 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.216 3.027 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.267 1.407 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.134 2.253 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.952 3.910 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.595 3.507 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.765 1.840 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.652 2.544 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.346 4.228 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.656 3.658 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.936 4.080 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.233 2.448 0.532 1.00 0.00 H new ATOM 746 N TYR A 46 -11.294 2.687 -1.298 1.00 0.00 N ATOM 747 CA TYR A 46 -10.352 2.173 -2.281 1.00 0.00 C ATOM 748 C TYR A 46 -9.554 3.310 -2.899 1.00 0.00 C ATOM 749 O TYR A 46 -9.915 4.480 -2.765 1.00 0.00 O ATOM 750 CB TYR A 46 -11.073 1.392 -3.388 1.00 0.00 C ATOM 751 CG TYR A 46 -11.600 0.046 -2.949 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.729 -0.972 -2.575 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.966 -0.209 -2.912 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.206 -2.206 -2.175 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.450 -1.439 -2.513 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.566 -2.434 -2.148 1.00 0.00 C ATOM 757 OH TYR A 46 -13.047 -3.662 -1.755 1.00 0.00 O ATOM 0 H TYR A 46 -11.617 3.637 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.674 1.495 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.904 1.992 -3.759 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.386 1.247 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.664 -0.795 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.660 0.567 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.518 -2.987 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.514 -1.621 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.026 -3.657 -1.791 1.00 0.00 H new ATOM 767 N LEU A 47 -8.468 2.959 -3.573 1.00 0.00 N ATOM 768 CA LEU A 47 -7.651 3.936 -4.269 1.00 0.00 C ATOM 769 C LEU A 47 -8.296 4.321 -5.588 1.00 0.00 C ATOM 770 O LEU A 47 -8.552 3.469 -6.440 1.00 0.00 O ATOM 771 CB LEU A 47 -6.250 3.382 -4.524 1.00 0.00 C ATOM 772 CG LEU A 47 -5.397 3.183 -3.274 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.107 2.451 -3.616 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.088 4.522 -2.624 1.00 0.00 C ATOM 0 H LEU A 47 -8.133 1.999 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.571 4.822 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.342 2.426 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.726 4.058 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.961 2.575 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.513 2.319 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.344 1.475 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.539 3.034 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.479 4.363 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.544 5.151 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.019 5.014 -2.343 1.00 0.00 H new ATOM 786 N SER A 48 -8.562 5.603 -5.745 1.00 0.00 N ATOM 787 CA SER A 48 -9.129 6.117 -6.966 1.00 0.00 C ATOM 788 C SER A 48 -8.054 6.182 -8.041 1.00 0.00 C ATOM 789 O SER A 48 -6.873 5.955 -7.767 1.00 0.00 O ATOM 790 CB SER A 48 -9.713 7.508 -6.711 1.00 0.00 C ATOM 791 OG SER A 48 -10.493 7.521 -5.528 1.00 0.00 O ATOM 0 H SER A 48 -8.390 6.311 -5.031 1.00 0.00 H new ATOM 0 HA SER A 48 -9.926 5.456 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.906 8.236 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.327 7.810 -7.559 1.00 0.00 H new ATOM 0 HG SER A 48 -10.855 8.420 -5.384 1.00 0.00 H new ATOM 797 N LEU A 49 -8.460 6.518 -9.247 1.00 0.00 N ATOM 798 CA LEU A 49 -7.552 6.612 -10.369 1.00 0.00 C ATOM 799 C LEU A 49 -6.572 7.757 -10.150 1.00 0.00 C ATOM 800 O LEU A 49 -5.384 7.644 -10.444 1.00 0.00 O ATOM 801 CB LEU A 49 -8.354 6.826 -11.649 1.00 0.00 C ATOM 802 CG LEU A 49 -9.293 5.677 -12.028 1.00 0.00 C ATOM 803 CD1 LEU A 49 -10.054 6.014 -13.300 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.513 4.385 -12.208 1.00 0.00 C ATOM 0 H LEU A 49 -9.430 6.734 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.982 5.687 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.944 7.736 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.658 6.992 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.009 5.538 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.717 5.188 -13.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.643 6.917 -13.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.348 6.179 -14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.198 3.581 -12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.775 4.513 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.006 4.133 -11.277 1.00 0.00 H new ATOM 816 N GLN A 50 -7.088 8.847 -9.606 1.00 0.00 N ATOM 817 CA GLN A 50 -6.273 10.000 -9.262 1.00 0.00 C ATOM 818 C GLN A 50 -5.326 9.648 -8.113 1.00 0.00 C ATOM 819 O GLN A 50 -4.189 10.119 -8.056 1.00 0.00 O ATOM 820 CB GLN A 50 -7.193 11.176 -8.884 1.00 0.00 C ATOM 821 CG GLN A 50 -6.482 12.496 -8.597 1.00 0.00 C ATOM 822 CD GLN A 50 -5.826 12.543 -7.227 1.00 0.00 C ATOM 823 OE1 GLN A 50 -6.288 11.904 -6.279 1.00 0.00 O ATOM 824 NE2 GLN A 50 -4.753 13.304 -7.115 1.00 0.00 N ATOM 0 H GLN A 50 -8.079 8.957 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.665 10.293 -10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.904 11.334 -9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.771 10.895 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.723 12.665 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.201 13.312 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.404 13.816 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.273 13.380 -6.218 1.00 0.00 H new ATOM 833 N GLN A 51 -5.796 8.799 -7.207 1.00 0.00 N ATOM 834 CA GLN A 51 -5.032 8.455 -6.021 1.00 0.00 C ATOM 835 C GLN A 51 -3.885 7.499 -6.335 1.00 0.00 C ATOM 836 O GLN A 51 -2.774 7.693 -5.859 1.00 0.00 O ATOM 837 CB GLN A 51 -5.942 7.854 -4.954 1.00 0.00 C ATOM 838 CG GLN A 51 -6.870 8.867 -4.304 1.00 0.00 C ATOM 839 CD GLN A 51 -7.586 8.303 -3.094 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.069 8.360 -1.980 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.784 7.781 -3.293 1.00 0.00 N ATOM 0 H GLN A 51 -6.703 8.338 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.595 9.378 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.541 7.062 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.327 7.390 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.295 9.744 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.606 9.202 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.178 7.753 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.314 7.407 -2.506 1.00 0.00 H new ATOM 850 N MET A 52 -4.152 6.476 -7.138 1.00 0.00 N ATOM 851 CA MET A 52 -3.128 5.478 -7.459 1.00 0.00 C ATOM 852 C MET A 52 -1.930 6.109 -8.175 1.00 0.00 C ATOM 853 O MET A 52 -0.788 5.727 -7.924 1.00 0.00 O ATOM 854 CB MET A 52 -3.717 4.331 -8.290 1.00 0.00 C ATOM 855 CG MET A 52 -4.380 4.768 -9.583 1.00 0.00 C ATOM 856 SD MET A 52 -5.177 3.400 -10.448 1.00 0.00 S ATOM 857 CE MET A 52 -6.347 2.845 -9.207 1.00 0.00 C ATOM 0 H MET A 52 -5.058 6.313 -7.577 1.00 0.00 H new ATOM 0 HA MET A 52 -2.769 5.066 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.922 3.624 -8.525 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.449 3.798 -7.683 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.121 5.537 -9.366 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.633 5.220 -10.236 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.291 2.588 -9.687 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.948 1.968 -8.697 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.513 3.642 -8.482 1.00 0.00 H new ATOM 867 N GLN A 53 -2.183 7.092 -9.037 1.00 0.00 N ATOM 868 CA GLN A 53 -1.092 7.777 -9.730 1.00 0.00 C ATOM 869 C GLN A 53 -0.365 8.716 -8.773 1.00 0.00 C ATOM 870 O GLN A 53 0.855 8.887 -8.848 1.00 0.00 O ATOM 871 CB GLN A 53 -1.595 8.546 -10.961 1.00 0.00 C ATOM 872 CG GLN A 53 -2.808 9.422 -10.696 1.00 0.00 C ATOM 873 CD GLN A 53 -3.101 10.400 -11.819 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.647 11.479 -11.586 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.743 10.036 -13.039 1.00 0.00 N ATOM 0 H GLN A 53 -3.117 7.428 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.393 7.018 -10.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.786 9.170 -11.341 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.842 7.831 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.680 8.786 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.651 9.978 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.293 9.133 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.917 10.658 -13.828 1.00 0.00 H new ATOM 884 N GLU A 54 -1.126 9.307 -7.866 1.00 0.00 N ATOM 885 CA GLU A 54 -0.574 10.182 -6.845 1.00 0.00 C ATOM 886 C GLU A 54 0.370 9.408 -5.934 1.00 0.00 C ATOM 887 O GLU A 54 1.516 9.806 -5.724 1.00 0.00 O ATOM 888 CB GLU A 54 -1.712 10.791 -6.028 1.00 0.00 C ATOM 889 CG GLU A 54 -1.260 11.652 -4.865 1.00 0.00 C ATOM 890 CD GLU A 54 -2.434 12.215 -4.101 1.00 0.00 C ATOM 891 OE1 GLU A 54 -2.954 13.279 -4.507 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.875 11.583 -3.110 1.00 0.00 O ATOM 0 H GLU A 54 -2.139 9.194 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.008 10.979 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.335 11.393 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.339 9.986 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.638 11.060 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.641 12.469 -5.235 1.00 0.00 H new ATOM 899 N LEU A 55 -0.114 8.282 -5.424 1.00 0.00 N ATOM 900 CA LEU A 55 0.638 7.462 -4.500 1.00 0.00 C ATOM 901 C LEU A 55 1.955 7.000 -5.103 1.00 0.00 C ATOM 902 O LEU A 55 2.988 7.019 -4.435 1.00 0.00 O ATOM 903 CB LEU A 55 -0.210 6.263 -4.080 1.00 0.00 C ATOM 904 CG LEU A 55 -0.972 6.421 -2.758 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.005 6.649 -1.609 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.969 7.565 -2.840 1.00 0.00 C ATOM 0 H LEU A 55 -1.041 7.917 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 55 0.879 8.063 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.930 6.055 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.439 5.391 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.523 5.498 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.564 6.759 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.671 5.798 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.573 7.554 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.497 7.657 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.440 8.494 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.687 7.366 -3.636 1.00 0.00 H new ATOM 918 N SER A 56 1.921 6.602 -6.364 1.00 0.00 N ATOM 919 CA SER A 56 3.128 6.155 -7.042 1.00 0.00 C ATOM 920 C SER A 56 4.154 7.281 -7.138 1.00 0.00 C ATOM 921 O SER A 56 5.349 7.056 -6.953 1.00 0.00 O ATOM 922 CB SER A 56 2.801 5.602 -8.433 1.00 0.00 C ATOM 923 OG SER A 56 1.924 6.454 -9.147 1.00 0.00 O ATOM 0 H SER A 56 1.077 6.579 -6.936 1.00 0.00 H new ATOM 0 HA SER A 56 3.564 5.351 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.724 5.474 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.348 4.615 -8.334 1.00 0.00 H new ATOM 0 HG SER A 56 1.862 7.318 -8.689 1.00 0.00 H new ATOM 929 N ASN A 57 3.678 8.495 -7.388 1.00 0.00 N ATOM 930 CA ASN A 57 4.565 9.643 -7.539 1.00 0.00 C ATOM 931 C ASN A 57 5.243 9.982 -6.212 1.00 0.00 C ATOM 932 O ASN A 57 6.425 10.329 -6.174 1.00 0.00 O ATOM 933 CB ASN A 57 3.782 10.856 -8.055 1.00 0.00 C ATOM 934 CG ASN A 57 4.669 12.061 -8.315 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.892 12.890 -7.431 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.175 12.170 -9.535 1.00 0.00 N ATOM 0 H ASN A 57 2.686 8.710 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 57 5.336 9.385 -8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.266 10.585 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.016 11.125 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.773 12.962 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.966 11.462 -10.239 1.00 0.00 H new ATOM 943 N ILE A 58 4.496 9.850 -5.122 1.00 0.00 N ATOM 944 CA ILE A 58 5.001 10.197 -3.800 1.00 0.00 C ATOM 945 C ILE A 58 5.968 9.138 -3.288 1.00 0.00 C ATOM 946 O ILE A 58 7.053 9.453 -2.800 1.00 0.00 O ATOM 947 CB ILE A 58 3.850 10.354 -2.786 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.782 11.293 -3.351 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.384 10.875 -1.458 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.662 11.601 -2.384 1.00 0.00 C ATOM 0 H ILE A 58 3.536 9.504 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 58 5.525 11.148 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 58 3.395 9.380 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.256 12.227 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.359 10.846 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.561 10.981 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.116 10.173 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.858 11.845 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.946 12.272 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.160 10.675 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.071 12.078 -1.493 1.00 0.00 H new ATOM 962 N LEU A 59 5.582 7.877 -3.425 1.00 0.00 N ATOM 963 CA LEU A 59 6.379 6.772 -2.904 1.00 0.00 C ATOM 964 C LEU A 59 7.542 6.431 -3.827 1.00 0.00 C ATOM 965 O LEU A 59 8.254 5.455 -3.594 1.00 0.00 O ATOM 966 CB LEU A 59 5.506 5.530 -2.689 1.00 0.00 C ATOM 967 CG LEU A 59 4.743 5.467 -1.358 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.710 5.480 -0.185 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.749 6.611 -1.235 1.00 0.00 C ATOM 0 H LEU A 59 4.721 7.592 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 59 6.789 7.094 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.783 5.473 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.140 4.647 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 59 4.184 4.531 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.150 5.435 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.374 4.619 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.300 6.396 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.226 6.537 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.280 7.561 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.028 6.555 -2.050 1.00 0.00 H new ATOM 981 N ASN A 60 7.727 7.241 -4.873 1.00 0.00 N ATOM 982 CA ASN A 60 8.802 7.040 -5.841 1.00 0.00 C ATOM 983 C ASN A 60 8.665 5.682 -6.516 1.00 0.00 C ATOM 984 O ASN A 60 9.658 5.042 -6.871 1.00 0.00 O ATOM 985 CB ASN A 60 10.182 7.168 -5.185 1.00 0.00 C ATOM 986 CG ASN A 60 10.559 8.596 -4.820 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.724 8.983 -4.922 1.00 0.00 O ATOM 988 ND2 ASN A 60 9.596 9.379 -4.362 1.00 0.00 N ATOM 0 H ASN A 60 7.138 8.050 -5.070 1.00 0.00 H new ATOM 0 HA ASN A 60 8.716 7.822 -6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.204 6.555 -4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.935 6.765 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.808 10.336 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.642 9.026 -4.291 1.00 0.00 H new ATOM 995 N LEU A 61 7.426 5.261 -6.717 1.00 0.00 N ATOM 996 CA LEU A 61 7.141 3.980 -7.335 1.00 0.00 C ATOM 997 C LEU A 61 6.513 4.194 -8.701 1.00 0.00 C ATOM 998 O LEU A 61 6.267 5.330 -9.109 1.00 0.00 O ATOM 999 CB LEU A 61 6.202 3.154 -6.450 1.00 0.00 C ATOM 1000 CG LEU A 61 6.770 2.761 -5.084 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.740 1.972 -4.290 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.049 1.953 -5.247 1.00 0.00 C ATOM 0 H LEU A 61 6.596 5.795 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 61 8.077 3.433 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.284 3.721 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.929 2.246 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 61 7.009 3.672 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.158 1.700 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.849 2.582 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.473 1.068 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.437 1.684 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.837 1.047 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.791 2.549 -5.779 1.00 0.00 H new ATOM 1014 N SER A 62 6.259 3.106 -9.400 1.00 0.00 N ATOM 1015 CA SER A 62 5.637 3.175 -10.706 1.00 0.00 C ATOM 1016 C SER A 62 4.126 3.021 -10.586 1.00 0.00 C ATOM 1017 O SER A 62 3.630 2.294 -9.721 1.00 0.00 O ATOM 1018 CB SER A 62 6.220 2.093 -11.623 1.00 0.00 C ATOM 1019 OG SER A 62 5.488 1.987 -12.832 1.00 0.00 O ATOM 0 H SER A 62 6.475 2.161 -9.084 1.00 0.00 H new ATOM 0 HA SER A 62 5.845 4.152 -11.143 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.261 2.326 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.212 1.133 -11.106 1.00 0.00 H new ATOM 0 HG SER A 62 5.886 1.290 -13.395 1.00 0.00 H new ATOM 1025 N TYR A 63 3.409 3.722 -11.453 1.00 0.00 N ATOM 1026 CA TYR A 63 1.959 3.638 -11.531 1.00 0.00 C ATOM 1027 C TYR A 63 1.531 2.198 -11.782 1.00 0.00 C ATOM 1028 O TYR A 63 0.530 1.735 -11.245 1.00 0.00 O ATOM 1029 CB TYR A 63 1.450 4.557 -12.652 1.00 0.00 C ATOM 1030 CG TYR A 63 -0.026 4.425 -12.966 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.981 5.094 -12.214 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.460 3.638 -14.026 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.327 4.982 -12.509 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.802 3.523 -14.328 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.733 4.196 -13.567 1.00 0.00 C ATOM 1036 OH TYR A 63 -4.072 4.082 -13.865 1.00 0.00 O ATOM 0 H TYR A 63 3.820 4.369 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 63 1.526 3.964 -10.585 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.656 5.591 -12.376 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.019 4.349 -13.558 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.668 5.712 -11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.266 3.107 -14.624 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.058 5.508 -11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.121 2.908 -15.157 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.574 3.889 -13.046 1.00 0.00 H new ATOM 1046 N LYS A 64 2.324 1.483 -12.577 1.00 0.00 N ATOM 1047 CA LYS A 64 2.040 0.097 -12.897 1.00 0.00 C ATOM 1048 C LYS A 64 2.137 -0.748 -11.640 1.00 0.00 C ATOM 1049 O LYS A 64 1.341 -1.659 -11.422 1.00 0.00 O ATOM 1050 CB LYS A 64 3.032 -0.431 -13.932 1.00 0.00 C ATOM 1051 CG LYS A 64 3.139 0.416 -15.188 1.00 0.00 C ATOM 1052 CD LYS A 64 4.026 -0.257 -16.222 1.00 0.00 C ATOM 1053 CE LYS A 64 4.344 0.671 -17.383 1.00 0.00 C ATOM 1054 NZ LYS A 64 5.151 1.841 -16.951 1.00 0.00 N ATOM 0 H LYS A 64 3.172 1.849 -13.011 1.00 0.00 H new ATOM 0 HA LYS A 64 1.032 0.038 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.017 -0.501 -13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.740 -1.442 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.146 0.580 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.545 1.396 -14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.954 -0.580 -15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.531 -1.153 -16.598 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.886 0.119 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.415 1.018 -17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.614 2.268 -17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.530 2.544 -16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.874 1.532 -16.270 1.00 0.00 H new ATOM 1068 N GLN A 65 3.120 -0.420 -10.811 1.00 0.00 N ATOM 1069 CA GLN A 65 3.351 -1.137 -9.567 1.00 0.00 C ATOM 1070 C GLN A 65 2.209 -0.878 -8.595 1.00 0.00 C ATOM 1071 O GLN A 65 1.683 -1.805 -7.983 1.00 0.00 O ATOM 1072 CB GLN A 65 4.684 -0.713 -8.938 1.00 0.00 C ATOM 1073 CG GLN A 65 5.898 -0.965 -9.821 1.00 0.00 C ATOM 1074 CD GLN A 65 6.077 -2.428 -10.185 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.725 -3.181 -9.465 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.513 -2.834 -11.313 1.00 0.00 N ATOM 0 H GLN A 65 3.774 0.344 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 65 3.397 -2.204 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.638 0.349 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.816 -1.248 -7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.803 -0.379 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.793 -0.613 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.982 -2.176 -11.883 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.610 -3.805 -11.611 1.00 0.00 H new ATOM 1085 N VAL A 66 1.806 0.384 -8.482 1.00 0.00 N ATOM 1086 CA VAL A 66 0.743 0.757 -7.551 1.00 0.00 C ATOM 1087 C VAL A 66 -0.606 0.214 -8.018 1.00 0.00 C ATOM 1088 O VAL A 66 -1.380 -0.323 -7.224 1.00 0.00 O ATOM 1089 CB VAL A 66 0.660 2.287 -7.360 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.538 2.666 -6.497 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.947 2.796 -6.733 1.00 0.00 C ATOM 0 H VAL A 66 2.194 1.160 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 66 0.989 0.310 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 66 0.529 2.752 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.573 3.749 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.455 2.324 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.444 2.197 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.885 3.876 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.093 2.319 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.788 2.559 -7.385 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.863 0.330 -9.313 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.117 -0.134 -9.899 1.00 0.00 C ATOM 1103 C LYS A 67 -2.268 -1.641 -9.710 1.00 0.00 C ATOM 1104 O LYS A 67 -3.341 -2.134 -9.355 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.142 0.225 -11.388 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.504 0.643 -11.922 1.00 0.00 C ATOM 1107 CD LYS A 67 -4.419 -0.539 -12.194 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.705 -0.083 -12.868 1.00 0.00 C ATOM 1109 NZ LYS A 67 -6.536 -1.227 -13.324 1.00 0.00 N ATOM 0 H LYS A 67 -0.216 0.744 -9.984 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.952 0.355 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.434 1.035 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.791 -0.634 -11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.982 1.309 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.369 1.211 -12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.907 -1.262 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.654 -1.046 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.281 0.528 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.461 0.550 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.401 -0.869 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.998 -1.796 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.792 -1.818 -12.507 1.00 0.00 H new ATOM 1123 N THR A 68 -1.178 -2.363 -9.925 1.00 0.00 N ATOM 1124 CA THR A 68 -1.178 -3.811 -9.784 1.00 0.00 C ATOM 1125 C THR A 68 -1.275 -4.216 -8.314 1.00 0.00 C ATOM 1126 O THR A 68 -1.999 -5.150 -7.970 1.00 0.00 O ATOM 1127 CB THR A 68 0.086 -4.435 -10.415 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.189 -4.030 -11.785 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.055 -5.957 -10.338 1.00 0.00 C ATOM 0 H THR A 68 -0.279 -1.967 -10.199 1.00 0.00 H new ATOM 0 HA THR A 68 -2.053 -4.189 -10.313 1.00 0.00 H new ATOM 0 HB THR A 68 0.952 -4.083 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.808 -3.273 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.959 -6.363 -10.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.001 -6.267 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.818 -6.331 -10.873 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.559 -3.501 -7.446 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.607 -3.779 -6.017 1.00 0.00 C ATOM 1139 C TRP A 69 -2.028 -3.602 -5.500 1.00 0.00 C ATOM 1140 O TRP A 69 -2.510 -4.407 -4.706 1.00 0.00 O ATOM 1141 CB TRP A 69 0.351 -2.862 -5.249 1.00 0.00 C ATOM 1142 CG TRP A 69 0.471 -3.217 -3.796 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.365 -4.085 -3.238 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.330 -2.717 -2.717 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.166 -4.161 -1.882 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.134 -3.328 -1.536 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.395 -1.812 -2.633 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.431 -3.064 -0.292 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.952 -1.550 -1.397 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.470 -2.175 -0.240 1.00 0.00 C ATOM 0 H TRP A 69 0.056 -2.731 -7.708 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.293 -4.811 -5.857 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.337 -2.909 -5.711 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.007 -1.832 -5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.119 -4.632 -3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.700 -4.743 -1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.775 -1.327 -3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.062 -3.544 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.773 -0.852 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.927 -1.951 0.712 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.689 -2.548 -5.966 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.076 -2.288 -5.612 1.00 0.00 C ATOM 1163 C PHE A 70 -4.962 -3.462 -6.009 1.00 0.00 C ATOM 1164 O PHE A 70 -5.762 -3.943 -5.210 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.563 -1.002 -6.289 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.031 -0.737 -6.108 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.541 -0.395 -4.868 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.899 -0.840 -7.183 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.891 -0.157 -4.703 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.249 -0.602 -7.025 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.746 -0.262 -5.784 1.00 0.00 C ATOM 0 H PHE A 70 -2.281 -1.856 -6.595 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.138 -2.162 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.000 -0.158 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.343 -1.058 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.876 -0.313 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.515 -1.110 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.278 0.111 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.915 -0.682 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.803 -0.078 -5.657 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.801 -3.929 -7.243 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.561 -5.073 -7.741 1.00 0.00 C ATOM 1183 C GLN A 71 -5.269 -6.326 -6.922 1.00 0.00 C ATOM 1184 O GLN A 71 -6.165 -7.099 -6.604 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.229 -5.326 -9.212 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.753 -4.255 -10.150 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.261 -4.287 -10.278 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.804 -4.975 -11.142 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.952 -3.543 -9.430 1.00 0.00 N ATOM 0 H GLN A 71 -4.149 -3.532 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.621 -4.840 -7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.147 -5.396 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.643 -6.290 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.443 -3.275 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.305 -4.387 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.466 -2.986 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.971 -3.527 -9.479 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.008 -6.501 -6.577 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.552 -7.654 -5.811 1.00 0.00 C ATOM 1200 C ASN A 72 -4.111 -7.617 -4.388 1.00 0.00 C ATOM 1201 O ASN A 72 -4.595 -8.624 -3.866 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.017 -7.675 -5.791 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.440 -8.792 -4.944 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.043 -9.851 -4.791 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.260 -8.562 -4.389 1.00 0.00 N ATOM 0 H ASN A 72 -3.264 -5.846 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.917 -8.565 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.649 -7.777 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.653 -6.719 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.180 -9.278 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.209 -7.669 -4.540 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.047 -6.449 -3.768 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.589 -6.258 -2.430 1.00 0.00 C ATOM 1214 C GLN A 73 -6.098 -6.447 -2.453 1.00 0.00 C ATOM 1215 O GLN A 73 -6.686 -7.014 -1.532 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.242 -4.856 -1.916 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.692 -4.591 -0.488 1.00 0.00 C ATOM 1218 CD GLN A 73 -4.042 -5.522 0.518 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.921 -5.989 0.319 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -4.746 -5.806 1.602 1.00 0.00 N ATOM 0 H GLN A 73 -3.623 -5.614 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.148 -6.996 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.163 -4.714 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.699 -4.116 -2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.459 -3.559 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.775 -4.698 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.672 -5.398 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.362 -6.433 2.310 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.709 -5.982 -3.530 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.149 -6.056 -3.691 1.00 0.00 C ATOM 1231 C ARG A 74 -8.586 -7.498 -3.927 1.00 0.00 C ATOM 1232 O ARG A 74 -9.508 -7.984 -3.273 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.592 -5.159 -4.857 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.049 -4.720 -4.802 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.006 -5.851 -5.136 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.394 -5.462 -4.920 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.423 -6.301 -4.988 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.243 -7.554 -5.386 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.643 -5.875 -4.693 1.00 0.00 N ATOM 0 H ARG A 74 -6.223 -5.545 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.625 -5.702 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.959 -4.272 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.422 -5.692 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.274 -4.339 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.205 -3.897 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.869 -6.149 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.771 -6.720 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.588 -4.484 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.311 -7.879 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.037 -8.192 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.791 -4.905 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.434 -6.517 -4.745 1.00 0.00 H new ATOM 1253 N MET A 75 -7.908 -8.187 -4.842 1.00 0.00 N ATOM 1254 CA MET A 75 -8.336 -9.524 -5.251 1.00 0.00 C ATOM 1255 C MET A 75 -8.201 -10.531 -4.112 1.00 0.00 C ATOM 1256 O MET A 75 -8.947 -11.511 -4.057 1.00 0.00 O ATOM 1257 CB MET A 75 -7.565 -9.998 -6.497 1.00 0.00 C ATOM 1258 CG MET A 75 -6.099 -10.347 -6.267 1.00 0.00 C ATOM 1259 SD MET A 75 -5.862 -12.022 -5.634 1.00 0.00 S ATOM 1260 CE MET A 75 -4.077 -12.100 -5.547 1.00 0.00 C ATOM 0 H MET A 75 -7.068 -7.847 -5.311 1.00 0.00 H new ATOM 0 HA MET A 75 -9.393 -9.460 -5.511 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.070 -10.874 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.620 -9.217 -7.256 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.554 -10.239 -7.205 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.668 -9.635 -5.564 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.736 -13.064 -5.924 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.648 -11.301 -6.152 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.758 -11.982 -4.511 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.274 -10.276 -3.189 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.051 -11.184 -2.066 1.00 0.00 C ATOM 1272 C LYS A 76 -8.279 -11.292 -1.161 1.00 0.00 C ATOM 1273 O LYS A 76 -8.427 -12.273 -0.441 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.833 -10.758 -1.243 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.512 -11.236 -1.826 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.365 -11.049 -0.844 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.980 -9.589 -0.691 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.413 -9.038 -1.946 1.00 0.00 N ATOM 0 H LYS A 76 -6.670 -9.454 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.861 -12.168 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.816 -9.671 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.935 -11.145 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.593 -12.289 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.299 -10.687 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.650 -11.452 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.500 -11.618 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.857 -9.009 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.252 -9.487 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.977 -8.113 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.692 -9.690 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.171 -8.924 -2.649 1.00 0.00 H new ATOM 1292 N SER A 77 -9.164 -10.301 -1.208 1.00 0.00 N ATOM 1293 CA SER A 77 -10.356 -10.320 -0.363 1.00 0.00 C ATOM 1294 C SER A 77 -11.296 -11.451 -0.778 1.00 0.00 C ATOM 1295 O SER A 77 -11.931 -12.089 0.063 1.00 0.00 O ATOM 1296 CB SER A 77 -11.089 -8.972 -0.428 1.00 0.00 C ATOM 1297 OG SER A 77 -11.521 -8.679 -1.747 1.00 0.00 O ATOM 0 H SER A 77 -9.082 -9.484 -1.813 1.00 0.00 H new ATOM 0 HA SER A 77 -10.037 -10.493 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.949 -8.991 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.428 -8.180 -0.076 1.00 0.00 H new ATOM 0 HG SER A 77 -10.780 -8.286 -2.254 1.00 0.00 H new ATOM 1303 N LYS A 78 -11.366 -11.695 -2.081 1.00 0.00 N ATOM 1304 CA LYS A 78 -12.234 -12.730 -2.627 1.00 0.00 C ATOM 1305 C LYS A 78 -11.463 -14.030 -2.836 1.00 0.00 C ATOM 1306 O LYS A 78 -12.010 -15.125 -2.680 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.843 -12.255 -3.953 1.00 0.00 C ATOM 1308 CG LYS A 78 -13.689 -13.307 -4.652 1.00 0.00 C ATOM 1309 CD LYS A 78 -14.309 -12.768 -5.929 1.00 0.00 C ATOM 1310 CE LYS A 78 -15.059 -13.854 -6.679 1.00 0.00 C ATOM 1311 NZ LYS A 78 -16.180 -14.416 -5.885 1.00 0.00 N ATOM 0 H LYS A 78 -10.828 -11.186 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.036 -12.921 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.457 -11.374 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.039 -11.946 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.072 -14.175 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.477 -13.647 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.991 -11.952 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.529 -12.354 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.447 -13.446 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.367 -14.654 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.754 -15.040 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.800 -14.961 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.773 -13.641 -5.525 1.00 0.00 H new ATOM 1325 N ARG A 79 -10.192 -13.905 -3.190 1.00 0.00 N ATOM 1326 CA ARG A 79 -9.362 -15.065 -3.478 1.00 0.00 C ATOM 1327 C ARG A 79 -8.991 -15.792 -2.190 1.00 0.00 C ATOM 1328 O ARG A 79 -9.060 -17.019 -2.119 1.00 0.00 O ATOM 1329 CB ARG A 79 -8.102 -14.628 -4.229 1.00 0.00 C ATOM 1330 CG ARG A 79 -7.803 -15.439 -5.483 1.00 0.00 C ATOM 1331 CD ARG A 79 -6.946 -16.669 -5.200 1.00 0.00 C ATOM 1332 NE ARG A 79 -7.632 -17.671 -4.386 1.00 0.00 N ATOM 1333 CZ ARG A 79 -7.179 -18.913 -4.203 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -6.069 -19.312 -4.811 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -7.843 -19.755 -3.427 1.00 0.00 N ATOM 0 H ARG A 79 -9.713 -13.010 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.926 -15.754 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.204 -13.579 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.249 -14.698 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.742 -15.753 -5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.292 -14.805 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.646 -17.121 -6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.033 -16.359 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.506 -17.406 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.561 -18.669 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.724 -20.261 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.703 -19.455 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.495 -20.704 -3.289 1.00 0.00 H new ATOM 1349 N TRP A 80 -8.606 -15.037 -1.174 1.00 0.00 N ATOM 1350 CA TRP A 80 -8.197 -15.623 0.090 1.00 0.00 C ATOM 1351 C TRP A 80 -9.368 -15.671 1.058 1.00 0.00 C ATOM 1352 O TRP A 80 -10.034 -14.663 1.299 1.00 0.00 O ATOM 1353 CB TRP A 80 -7.040 -14.831 0.703 1.00 0.00 C ATOM 1354 CG TRP A 80 -5.744 -14.999 -0.030 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -5.495 -14.710 -1.340 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -4.516 -15.493 0.513 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -4.187 -14.993 -1.646 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -3.564 -15.475 -0.524 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -4.128 -15.945 1.777 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -2.250 -15.895 -0.334 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -2.824 -16.362 1.964 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -1.897 -16.333 0.913 1.00 0.00 C ATOM 0 H TRP A 80 -8.568 -14.018 -1.201 1.00 0.00 H new ATOM 0 HA TRP A 80 -7.858 -16.641 -0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -7.304 -13.773 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -6.905 -15.143 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.221 -14.316 -2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.750 -14.865 -2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -4.835 -15.968 2.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.535 -15.876 -1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.514 -16.716 2.936 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.884 -16.663 1.091 1.00 0.00 H new ATOM 1373 N GLN A 81 -9.612 -16.848 1.614 1.00 0.00 N ATOM 1374 CA GLN A 81 -10.693 -17.031 2.571 1.00 0.00 C ATOM 1375 C GLN A 81 -10.205 -16.731 3.981 1.00 0.00 C ATOM 1376 O GLN A 81 -10.919 -16.940 4.962 1.00 0.00 O ATOM 1377 CB GLN A 81 -11.251 -18.452 2.479 1.00 0.00 C ATOM 1378 CG GLN A 81 -11.902 -18.744 1.136 1.00 0.00 C ATOM 1379 CD GLN A 81 -13.046 -17.795 0.832 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -13.739 -17.329 1.735 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -13.250 -17.491 -0.439 1.00 0.00 N ATOM 0 H GLN A 81 -9.075 -17.693 1.418 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.496 -16.334 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.445 -19.166 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.983 -18.602 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.153 -18.670 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.272 -19.769 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.656 -17.896 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.002 -16.851 -0.696 1.00 0.00 H new ATOM 1390 N LYS A 82 -8.978 -16.243 4.069 1.00 0.00 N ATOM 1391 CA LYS A 82 -8.415 -15.794 5.329 1.00 0.00 C ATOM 1392 C LYS A 82 -8.659 -14.298 5.486 1.00 0.00 C ATOM 1393 O LYS A 82 -7.815 -13.479 5.133 1.00 0.00 O ATOM 1394 CB LYS A 82 -6.914 -16.094 5.385 1.00 0.00 C ATOM 1395 CG LYS A 82 -6.589 -17.574 5.500 1.00 0.00 C ATOM 1396 CD LYS A 82 -5.102 -17.826 5.306 1.00 0.00 C ATOM 1397 CE LYS A 82 -4.705 -19.235 5.715 1.00 0.00 C ATOM 1398 NZ LYS A 82 -5.506 -20.278 5.024 1.00 0.00 N ATOM 0 H LYS A 82 -8.348 -16.148 3.272 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.899 -16.328 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.440 -15.696 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.479 -15.569 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.899 -17.942 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.156 -18.133 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.840 -17.665 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.533 -17.104 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.648 -19.389 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.826 -19.344 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.089 -21.213 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.482 -20.260 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.509 -20.093 4.001 1.00 0.00 H new ATOM 1412 N ASN A 83 -9.836 -13.951 5.980 1.00 0.00 N ATOM 1413 CA ASN A 83 -10.219 -12.553 6.116 1.00 0.00 C ATOM 1414 C ASN A 83 -10.070 -12.110 7.563 1.00 0.00 C ATOM 1415 O ASN A 83 -9.745 -10.955 7.836 1.00 0.00 O ATOM 1416 CB ASN A 83 -11.661 -12.342 5.640 1.00 0.00 C ATOM 1417 CG ASN A 83 -11.881 -12.770 4.196 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -12.969 -13.209 3.828 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -10.853 -12.648 3.368 1.00 0.00 N ATOM 0 H ASN A 83 -10.543 -14.616 6.294 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.560 -11.949 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.336 -12.903 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.921 -11.289 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.950 -12.922 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.965 -12.280 3.708 1.00 0.00 H new ATOM 1426 N ASN A 84 -10.300 -13.051 8.475 1.00 0.00 N ATOM 1427 CA ASN A 84 -10.162 -12.819 9.912 1.00 0.00 C ATOM 1428 C ASN A 84 -11.078 -11.696 10.383 1.00 0.00 C ATOM 1429 O ASN A 84 -10.572 -10.662 10.875 1.00 0.00 O ATOM 1430 CB ASN A 84 -8.704 -12.529 10.286 1.00 0.00 C ATOM 1431 CG ASN A 84 -7.837 -13.774 10.256 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -7.738 -14.497 11.249 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -7.196 -14.032 9.125 1.00 0.00 N ATOM 1434 OXT ASN A 84 -12.310 -11.852 10.255 1.00 0.00 O ATOM 0 H ASN A 84 -10.589 -14.000 8.238 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.466 -13.732 10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.296 -11.789 9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.669 -12.090 11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.595 -14.853 9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.304 -13.409 8.324 1.00 0.00 H new TER 1441 ASN A 84