USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 69 GLN : amide:sc= -2.39! C(o=-4.1!,f=-3.9!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.67 K(o=-4.1,f=-6.6!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 163:sc= 0.214 (180deg=0.786) USER MOD Set 2.2: A 52 CYS SG : rot 81:sc= -2.76! USER MOD Set 2.3: A 59 MET CE :methyl 168:sc= -1.57 (180deg=-1.94) USER MOD Set 3.1: A 29 GLN : amide:sc= -1.44 K(o=-2.6,f=-1.1) USER MOD Set 3.2: A 92 GLN : amide:sc= -1.15! C(o=-2.6!,f=-3.7!) USER MOD Set 4.1: A 1 MET N :NH3+ 154:sc= 1.31 (180deg=1.14) USER MOD Set 4.2: A 4 GLN : amide:sc= -2.12 K(o=-0.81,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0562 (180deg=-0.401) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -129:sc= 1.01 USER MOD Single : A 10 THR OG1 : rot -29:sc= 0.257 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.16) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.986) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -168:sc= -1.48 (180deg=-1.88) USER MOD Single : A 41 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 43 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -1.63! (180deg=-3.92!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 27:sc= -2.12 USER MOD Single : A 53 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.87) USER MOD Single : A 55 GLN : amide:sc= -3.83! K(o=-3.8!,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5!) USER MOD Single : A 61 SER OG : rot -170:sc= -2.2! USER MOD Single : A 74 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 157:sc= -1.02 (180deg=-2.72) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0773 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.624 -1.908 18.041 1.00 0.00 N ATOM 2 CA MET A 1 18.632 -1.521 19.056 1.00 0.00 C ATOM 3 C MET A 1 17.202 -1.702 18.552 1.00 0.00 C ATOM 4 O MET A 1 16.528 -2.657 18.922 1.00 0.00 O ATOM 5 CB MET A 1 18.864 -0.086 19.546 1.00 0.00 C ATOM 6 CG MET A 1 20.075 0.064 20.460 1.00 0.00 C ATOM 7 SD MET A 1 20.308 1.753 21.055 1.00 0.00 S ATOM 8 CE MET A 1 20.659 2.620 19.526 1.00 0.00 C ATOM 0 H1 MET A 1 20.511 -1.391 18.208 1.00 0.00 H new ATOM 0 H2 MET A 1 19.802 -2.931 18.102 1.00 0.00 H new ATOM 0 H3 MET A 1 19.261 -1.676 17.094 1.00 0.00 H new ATOM 0 HA MET A 1 18.766 -2.192 19.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.989 0.567 18.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.975 0.255 20.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.963 -0.604 21.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.969 -0.252 19.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.098 3.592 19.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.359 2.035 18.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.734 2.761 18.967 1.00 0.00 H new ATOM 18 N SER A 2 16.723 -0.800 17.698 1.00 0.00 N ATOM 19 CA SER A 2 15.354 -0.895 17.211 1.00 0.00 C ATOM 20 C SER A 2 15.278 -1.397 15.768 1.00 0.00 C ATOM 21 O SER A 2 14.901 -2.538 15.516 1.00 0.00 O ATOM 22 CB SER A 2 14.637 0.450 17.346 1.00 0.00 C ATOM 23 OG SER A 2 14.629 0.889 18.695 1.00 0.00 O ATOM 0 H SER A 2 17.254 -0.008 17.335 1.00 0.00 H new ATOM 0 HA SER A 2 14.849 -1.633 17.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.131 1.194 16.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.613 0.358 16.984 1.00 0.00 H new ATOM 0 HG SER A 2 14.167 1.751 18.756 1.00 0.00 H new ATOM 29 N ASP A 3 15.671 -0.561 14.818 1.00 0.00 N ATOM 30 CA ASP A 3 15.534 -0.911 13.401 1.00 0.00 C ATOM 31 C ASP A 3 16.888 -1.062 12.741 1.00 0.00 C ATOM 32 O ASP A 3 17.020 -0.999 11.519 1.00 0.00 O ATOM 33 CB ASP A 3 14.676 0.136 12.659 1.00 0.00 C ATOM 34 CG ASP A 3 15.323 1.512 12.560 1.00 0.00 C ATOM 35 OD1 ASP A 3 15.223 2.292 13.531 1.00 0.00 O ATOM 36 OD2 ASP A 3 15.914 1.827 11.499 1.00 0.00 O ATOM 0 H ASP A 3 16.083 0.355 14.993 1.00 0.00 H new ATOM 0 HA ASP A 3 15.025 -1.873 13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.466 -0.228 11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.718 0.233 13.169 1.00 0.00 H new ATOM 41 N GLN A 4 17.896 -1.319 13.552 1.00 0.00 N ATOM 42 CA GLN A 4 19.255 -1.469 13.072 1.00 0.00 C ATOM 43 C GLN A 4 19.599 -2.934 12.964 1.00 0.00 C ATOM 44 O GLN A 4 20.725 -3.319 12.643 1.00 0.00 O ATOM 45 CB GLN A 4 20.220 -0.795 14.025 1.00 0.00 C ATOM 46 CG GLN A 4 20.005 0.687 14.164 1.00 0.00 C ATOM 47 CD GLN A 4 18.878 1.050 15.113 1.00 0.00 C ATOM 48 OE1 GLN A 4 17.749 1.273 14.707 1.00 0.00 O ATOM 49 NE2 GLN A 4 19.168 1.047 16.382 1.00 0.00 N ATOM 0 H GLN A 4 17.796 -1.429 14.561 1.00 0.00 H new ATOM 0 HA GLN A 4 19.335 -1.002 12.090 1.00 0.00 H new ATOM 0 HB2 GLN A 4 20.129 -1.259 15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 4 21.239 -0.974 13.681 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.928 1.148 14.516 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.792 1.109 13.182 1.00 0.00 H new ATOM 0 HE21 GLN A 4 20.123 0.857 16.687 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.441 1.235 17.072 1.00 0.00 H new ATOM 58 N GLU A 5 18.623 -3.744 13.241 1.00 0.00 N ATOM 59 CA GLU A 5 18.776 -5.181 13.235 1.00 0.00 C ATOM 60 C GLU A 5 17.498 -5.842 12.754 1.00 0.00 C ATOM 61 O GLU A 5 16.416 -5.252 12.827 1.00 0.00 O ATOM 62 CB GLU A 5 19.118 -5.656 14.644 1.00 0.00 C ATOM 63 CG GLU A 5 18.100 -5.228 15.686 1.00 0.00 C ATOM 64 CD GLU A 5 18.606 -5.393 17.095 1.00 0.00 C ATOM 65 OE1 GLU A 5 19.361 -4.516 17.560 1.00 0.00 O ATOM 66 OE2 GLU A 5 18.256 -6.389 17.745 1.00 0.00 O ATOM 0 H GLU A 5 17.683 -3.429 13.482 1.00 0.00 H new ATOM 0 HA GLU A 5 19.582 -5.456 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.193 -6.743 14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.098 -5.268 14.923 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.833 -4.184 15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.189 -5.814 15.560 1.00 0.00 H new ATOM 73 N ALA A 6 17.615 -7.051 12.252 1.00 0.00 N ATOM 74 CA ALA A 6 16.469 -7.796 11.773 1.00 0.00 C ATOM 75 C ALA A 6 16.663 -9.277 12.038 1.00 0.00 C ATOM 76 O ALA A 6 17.788 -9.738 12.264 1.00 0.00 O ATOM 77 CB ALA A 6 16.254 -7.543 10.288 1.00 0.00 C ATOM 0 H ALA A 6 18.503 -7.545 12.164 1.00 0.00 H new ATOM 0 HA ALA A 6 15.582 -7.459 12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.389 -8.110 9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 6 16.081 -6.480 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 6 17.138 -7.858 9.734 1.00 0.00 H new ATOM 83 N LYS A 7 15.580 -10.028 12.016 1.00 0.00 N ATOM 84 CA LYS A 7 15.629 -11.458 12.263 1.00 0.00 C ATOM 85 C LYS A 7 14.485 -12.152 11.535 1.00 0.00 C ATOM 86 O LYS A 7 13.466 -11.520 11.246 1.00 0.00 O ATOM 87 CB LYS A 7 15.569 -11.743 13.777 1.00 0.00 C ATOM 88 CG LYS A 7 14.317 -11.218 14.472 1.00 0.00 C ATOM 89 CD LYS A 7 14.399 -11.398 15.987 1.00 0.00 C ATOM 90 CE LYS A 7 14.596 -12.859 16.372 1.00 0.00 C ATOM 91 NZ LYS A 7 14.681 -13.043 17.843 1.00 0.00 N ATOM 0 H LYS A 7 14.645 -9.668 11.827 1.00 0.00 H new ATOM 0 HA LYS A 7 16.571 -11.852 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.631 -12.820 13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.445 -11.301 14.252 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.185 -10.162 14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.441 -11.742 14.089 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.224 -10.804 16.380 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.486 -11.020 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.769 -13.451 15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.507 -13.236 15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.815 -14.051 18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.486 -12.499 18.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.802 -12.708 18.286 1.00 0.00 H new ATOM 105 N PRO A 8 14.643 -13.451 11.211 1.00 0.00 N ATOM 106 CA PRO A 8 13.611 -14.227 10.509 1.00 0.00 C ATOM 107 C PRO A 8 12.301 -14.251 11.287 1.00 0.00 C ATOM 108 O PRO A 8 12.253 -14.679 12.451 1.00 0.00 O ATOM 109 CB PRO A 8 14.211 -15.641 10.421 1.00 0.00 C ATOM 110 CG PRO A 8 15.301 -15.665 11.440 1.00 0.00 C ATOM 111 CD PRO A 8 15.829 -14.266 11.509 1.00 0.00 C ATOM 0 HA PRO A 8 13.368 -13.802 9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.459 -16.402 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.600 -15.843 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.922 -15.988 12.410 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.086 -16.365 11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.239 -14.037 12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.626 -14.099 10.785 1.00 0.00 H new ATOM 119 N SER A 9 11.238 -13.800 10.664 1.00 0.00 N ATOM 120 CA SER A 9 9.952 -13.730 11.299 1.00 0.00 C ATOM 121 C SER A 9 8.866 -13.946 10.253 1.00 0.00 C ATOM 122 O SER A 9 9.105 -13.780 9.060 1.00 0.00 O ATOM 123 CB SER A 9 9.787 -12.353 11.970 1.00 0.00 C ATOM 124 OG SER A 9 8.516 -12.215 12.592 1.00 0.00 O ATOM 0 H SER A 9 11.245 -13.471 9.699 1.00 0.00 H new ATOM 0 HA SER A 9 9.869 -14.504 12.062 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.572 -12.215 12.714 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.913 -11.568 11.224 1.00 0.00 H new ATOM 0 HG SER A 9 8.098 -11.378 12.300 1.00 0.00 H new ATOM 130 N THR A 10 7.679 -14.331 10.684 1.00 0.00 N ATOM 131 CA THR A 10 6.578 -14.521 9.760 1.00 0.00 C ATOM 132 C THR A 10 5.858 -13.192 9.538 1.00 0.00 C ATOM 133 O THR A 10 4.980 -13.072 8.684 1.00 0.00 O ATOM 134 CB THR A 10 5.579 -15.595 10.263 1.00 0.00 C ATOM 135 OG1 THR A 10 4.564 -15.825 9.278 1.00 0.00 O ATOM 136 CG2 THR A 10 4.928 -15.172 11.573 1.00 0.00 C ATOM 0 H THR A 10 7.454 -14.517 11.661 1.00 0.00 H new ATOM 0 HA THR A 10 6.990 -14.878 8.816 1.00 0.00 H new ATOM 0 HB THR A 10 6.137 -16.515 10.435 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.425 -15.008 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.233 -15.945 11.900 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.697 -15.030 12.332 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.387 -14.237 11.425 1.00 0.00 H new ATOM 144 N GLU A 11 6.245 -12.194 10.317 1.00 0.00 N ATOM 145 CA GLU A 11 5.683 -10.867 10.214 1.00 0.00 C ATOM 146 C GLU A 11 6.755 -9.822 10.351 1.00 0.00 C ATOM 147 O GLU A 11 7.648 -9.934 11.197 1.00 0.00 O ATOM 148 CB GLU A 11 4.607 -10.640 11.264 1.00 0.00 C ATOM 149 CG GLU A 11 3.267 -11.206 10.881 1.00 0.00 C ATOM 150 CD GLU A 11 2.212 -10.922 11.915 1.00 0.00 C ATOM 151 OE1 GLU A 11 1.675 -9.798 11.923 1.00 0.00 O ATOM 152 OE2 GLU A 11 1.917 -11.815 12.732 1.00 0.00 O ATOM 0 H GLU A 11 6.960 -12.287 11.039 1.00 0.00 H new ATOM 0 HA GLU A 11 5.227 -10.781 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.927 -11.089 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.503 -9.570 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.957 -10.786 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.356 -12.283 10.742 1.00 0.00 H new ATOM 159 N ASP A 12 6.669 -8.805 9.528 1.00 0.00 N ATOM 160 CA ASP A 12 7.636 -7.724 9.545 1.00 0.00 C ATOM 161 C ASP A 12 7.331 -6.762 10.662 1.00 0.00 C ATOM 162 O ASP A 12 6.175 -6.372 10.877 1.00 0.00 O ATOM 163 CB ASP A 12 7.657 -6.985 8.208 1.00 0.00 C ATOM 164 CG ASP A 12 8.203 -7.837 7.087 1.00 0.00 C ATOM 165 OD1 ASP A 12 7.406 -8.556 6.436 1.00 0.00 O ATOM 166 OD2 ASP A 12 9.431 -7.807 6.855 1.00 0.00 O ATOM 0 H ASP A 12 5.933 -8.699 8.830 1.00 0.00 H new ATOM 0 HA ASP A 12 8.621 -8.159 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.646 -6.664 7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.263 -6.084 8.304 1.00 0.00 H new ATOM 171 N LEU A 13 8.352 -6.375 11.383 1.00 0.00 N ATOM 172 CA LEU A 13 8.196 -5.476 12.493 1.00 0.00 C ATOM 173 C LEU A 13 8.705 -4.094 12.121 1.00 0.00 C ATOM 174 O LEU A 13 9.492 -3.943 11.188 1.00 0.00 O ATOM 175 CB LEU A 13 8.942 -6.018 13.713 1.00 0.00 C ATOM 176 CG LEU A 13 8.554 -7.440 14.142 1.00 0.00 C ATOM 177 CD1 LEU A 13 9.372 -7.880 15.344 1.00 0.00 C ATOM 178 CD2 LEU A 13 7.062 -7.527 14.446 1.00 0.00 C ATOM 0 H LEU A 13 9.313 -6.675 11.216 1.00 0.00 H new ATOM 0 HA LEU A 13 7.138 -5.396 12.742 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.011 -5.999 13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.770 -5.344 14.552 1.00 0.00 H new ATOM 0 HG LEU A 13 8.772 -8.115 13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.081 -8.890 15.632 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.431 -7.866 15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.191 -7.200 16.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.811 -8.544 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.814 -6.837 15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.493 -7.262 13.555 1.00 0.00 H new ATOM 190 N GLY A 14 8.262 -3.094 12.846 1.00 0.00 N ATOM 191 CA GLY A 14 8.638 -1.728 12.554 1.00 0.00 C ATOM 192 C GLY A 14 7.557 -0.780 12.991 1.00 0.00 C ATOM 193 O GLY A 14 7.122 0.084 12.235 1.00 0.00 O ATOM 0 H GLY A 14 7.638 -3.200 13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.571 -1.485 13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.819 -1.615 11.485 1.00 0.00 H new ATOM 197 N ASP A 15 7.119 -0.946 14.224 1.00 0.00 N ATOM 198 CA ASP A 15 6.035 -0.158 14.789 1.00 0.00 C ATOM 199 C ASP A 15 6.489 1.256 15.108 1.00 0.00 C ATOM 200 O ASP A 15 7.531 1.463 15.734 1.00 0.00 O ATOM 201 CB ASP A 15 5.507 -0.853 16.041 1.00 0.00 C ATOM 202 CG ASP A 15 4.476 -0.049 16.790 1.00 0.00 C ATOM 203 OD1 ASP A 15 3.303 -0.050 16.375 1.00 0.00 O ATOM 204 OD2 ASP A 15 4.830 0.553 17.824 1.00 0.00 O ATOM 0 H ASP A 15 7.506 -1.636 14.868 1.00 0.00 H new ATOM 0 HA ASP A 15 5.234 -0.082 14.053 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.072 -1.812 15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.343 -1.067 16.707 1.00 0.00 H new ATOM 209 N LYS A 16 5.711 2.232 14.673 1.00 0.00 N ATOM 210 CA LYS A 16 6.040 3.631 14.878 1.00 0.00 C ATOM 211 C LYS A 16 4.809 4.394 15.348 1.00 0.00 C ATOM 212 O LYS A 16 3.690 3.869 15.317 1.00 0.00 O ATOM 213 CB LYS A 16 6.571 4.244 13.577 1.00 0.00 C ATOM 214 CG LYS A 16 7.754 3.487 12.979 1.00 0.00 C ATOM 215 CD LYS A 16 8.205 4.081 11.654 1.00 0.00 C ATOM 216 CE LYS A 16 7.091 4.064 10.612 1.00 0.00 C ATOM 217 NZ LYS A 16 7.537 4.637 9.318 1.00 0.00 N ATOM 0 H LYS A 16 4.837 2.078 14.170 1.00 0.00 H new ATOM 0 HA LYS A 16 6.813 3.701 15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.764 4.276 12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.870 5.275 13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.586 3.501 13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.478 2.443 12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.539 5.107 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.061 3.521 11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.753 3.039 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.237 4.629 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.752 4.608 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.836 5.623 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.336 4.083 8.950 1.00 0.00 H new ATOM 231 N LYS A 17 5.005 5.628 15.782 1.00 0.00 N ATOM 232 CA LYS A 17 3.900 6.453 16.245 1.00 0.00 C ATOM 233 C LYS A 17 3.080 6.966 15.067 1.00 0.00 C ATOM 234 O LYS A 17 3.556 7.006 13.928 1.00 0.00 O ATOM 235 CB LYS A 17 4.412 7.645 17.052 1.00 0.00 C ATOM 236 CG LYS A 17 5.115 8.695 16.204 1.00 0.00 C ATOM 237 CD LYS A 17 5.484 9.928 17.017 1.00 0.00 C ATOM 238 CE LYS A 17 4.247 10.658 17.515 1.00 0.00 C ATOM 239 NZ LYS A 17 4.592 11.872 18.292 1.00 0.00 N ATOM 0 H LYS A 17 5.918 6.081 15.824 1.00 0.00 H new ATOM 0 HA LYS A 17 3.270 5.831 16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.573 8.110 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.101 7.287 17.817 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.016 8.265 15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.468 8.986 15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.101 9.634 17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.084 10.602 16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.624 10.937 16.665 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.656 9.986 18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.720 12.339 18.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.165 11.604 19.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.134 12.526 17.692 1.00 0.00 H new ATOM 253 N GLU A 18 1.860 7.354 15.341 1.00 0.00 N ATOM 254 CA GLU A 18 0.979 7.888 14.328 1.00 0.00 C ATOM 255 C GLU A 18 0.689 9.365 14.593 1.00 0.00 C ATOM 256 O GLU A 18 1.202 9.952 15.549 1.00 0.00 O ATOM 257 CB GLU A 18 -0.320 7.087 14.305 1.00 0.00 C ATOM 258 CG GLU A 18 -0.120 5.620 13.972 1.00 0.00 C ATOM 259 CD GLU A 18 -1.363 4.796 14.221 1.00 0.00 C ATOM 260 OE1 GLU A 18 -2.202 4.679 13.315 1.00 0.00 O ATOM 261 OE2 GLU A 18 -1.509 4.265 15.337 1.00 0.00 O ATOM 0 H GLU A 18 1.447 7.309 16.273 1.00 0.00 H new ATOM 0 HA GLU A 18 1.466 7.807 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.805 7.168 15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.997 7.529 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.172 5.525 12.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.701 5.224 14.570 1.00 0.00 H new ATOM 268 N GLY A 19 -0.126 9.963 13.746 1.00 0.00 N ATOM 269 CA GLY A 19 -0.481 11.359 13.898 1.00 0.00 C ATOM 270 C GLY A 19 -0.620 12.055 12.559 1.00 0.00 C ATOM 271 O GLY A 19 0.330 12.084 11.774 1.00 0.00 O ATOM 0 H GLY A 19 -0.555 9.502 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.419 11.437 14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.280 11.865 14.493 1.00 0.00 H new ATOM 275 N GLU A 20 -1.829 12.577 12.268 1.00 0.00 N ATOM 276 CA GLU A 20 -2.104 13.298 11.010 1.00 0.00 C ATOM 277 C GLU A 20 -2.051 12.325 9.848 1.00 0.00 C ATOM 278 O GLU A 20 -1.431 12.585 8.811 1.00 0.00 O ATOM 279 CB GLU A 20 -1.107 14.445 10.793 1.00 0.00 C ATOM 280 CG GLU A 20 -1.203 15.552 11.821 1.00 0.00 C ATOM 281 CD GLU A 20 -0.085 16.557 11.685 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.191 17.469 10.832 1.00 0.00 O ATOM 283 OE2 GLU A 20 0.913 16.443 12.427 1.00 0.00 O ATOM 0 H GLU A 20 -2.634 12.512 12.891 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.100 13.736 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.095 14.040 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.268 14.869 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.161 16.061 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.180 15.119 12.821 1.00 0.00 H new ATOM 290 N TYR A 21 -2.726 11.211 10.011 1.00 0.00 N ATOM 291 CA TYR A 21 -2.690 10.145 9.037 1.00 0.00 C ATOM 292 C TYR A 21 -4.079 9.803 8.523 1.00 0.00 C ATOM 293 O TYR A 21 -5.096 10.092 9.161 1.00 0.00 O ATOM 294 CB TYR A 21 -2.057 8.900 9.662 1.00 0.00 C ATOM 295 CG TYR A 21 -2.824 8.385 10.866 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.604 8.914 12.124 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.774 7.384 10.739 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.303 8.466 13.223 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.481 6.929 11.834 1.00 0.00 C ATOM 300 CZ TYR A 21 -4.240 7.475 13.076 1.00 0.00 C ATOM 301 OH TYR A 21 -4.942 7.031 14.177 1.00 0.00 O ATOM 0 H TYR A 21 -3.315 11.018 10.821 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.094 10.487 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.000 8.112 8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.034 9.130 9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.868 9.695 12.248 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.964 6.953 9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.114 8.893 14.197 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.219 6.149 11.718 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.568 6.328 13.904 1.00 0.00 H new ATOM 311 N ILE A 22 -4.112 9.186 7.371 1.00 0.00 N ATOM 312 CA ILE A 22 -5.334 8.721 6.771 1.00 0.00 C ATOM 313 C ILE A 22 -5.292 7.203 6.661 1.00 0.00 C ATOM 314 O ILE A 22 -4.272 6.574 6.932 1.00 0.00 O ATOM 315 CB ILE A 22 -5.567 9.326 5.367 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.546 8.774 4.375 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.504 10.850 5.422 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.721 9.283 2.958 1.00 0.00 C ATOM 0 H ILE A 22 -3.279 8.990 6.816 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.157 9.041 7.409 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.563 9.042 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.545 9.030 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.612 7.686 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.670 11.257 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.273 11.222 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.523 11.161 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.957 8.844 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.708 9.003 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.624 10.369 2.947 1.00 0.00 H new ATOM 330 N LYS A 23 -6.386 6.616 6.281 1.00 0.00 N ATOM 331 CA LYS A 23 -6.453 5.173 6.138 1.00 0.00 C ATOM 332 C LYS A 23 -6.573 4.811 4.681 1.00 0.00 C ATOM 333 O LYS A 23 -7.088 5.580 3.895 1.00 0.00 O ATOM 334 CB LYS A 23 -7.674 4.621 6.867 1.00 0.00 C ATOM 335 CG LYS A 23 -7.734 4.938 8.351 1.00 0.00 C ATOM 336 CD LYS A 23 -9.162 4.785 8.880 1.00 0.00 C ATOM 337 CE LYS A 23 -10.098 5.833 8.270 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.514 5.636 8.673 1.00 0.00 N ATOM 0 H LYS A 23 -7.253 7.106 6.061 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.545 4.746 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.572 5.015 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.695 3.539 6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.065 4.273 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.384 5.955 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.532 3.786 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.162 4.882 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.772 6.827 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.024 5.792 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.074 6.466 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.893 4.788 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.568 5.515 9.705 1.00 0.00 H new ATOM 352 N LEU A 24 -6.044 3.685 4.305 1.00 0.00 N ATOM 353 CA LEU A 24 -6.259 3.175 2.971 1.00 0.00 C ATOM 354 C LEU A 24 -6.455 1.675 2.998 1.00 0.00 C ATOM 355 O LEU A 24 -5.999 0.982 3.918 1.00 0.00 O ATOM 356 CB LEU A 24 -5.134 3.574 2.009 1.00 0.00 C ATOM 357 CG LEU A 24 -5.055 5.061 1.654 1.00 0.00 C ATOM 358 CD1 LEU A 24 -3.972 5.746 2.456 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.829 5.252 0.166 1.00 0.00 C ATOM 0 H LEU A 24 -5.459 3.097 4.899 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.172 3.633 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.183 3.274 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.252 3.006 1.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.009 5.521 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.933 6.802 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.191 5.649 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.010 5.281 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.777 6.317 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.894 4.773 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.654 4.804 -0.388 1.00 0.00 H new ATOM 371 N LYS A 25 -7.150 1.171 2.011 1.00 0.00 N ATOM 372 CA LYS A 25 -7.438 -0.236 1.930 1.00 0.00 C ATOM 373 C LYS A 25 -7.050 -0.773 0.576 1.00 0.00 C ATOM 374 O LYS A 25 -7.174 -0.098 -0.436 1.00 0.00 O ATOM 375 CB LYS A 25 -8.922 -0.482 2.225 1.00 0.00 C ATOM 376 CG LYS A 25 -9.329 -1.951 2.324 1.00 0.00 C ATOM 377 CD LYS A 25 -9.847 -2.505 1.003 1.00 0.00 C ATOM 378 CE LYS A 25 -11.083 -1.760 0.504 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.241 -1.879 1.426 1.00 0.00 N ATOM 0 H LYS A 25 -7.531 1.724 1.243 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.850 -0.768 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.177 0.013 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.515 -0.009 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.472 -2.541 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.100 -2.060 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.060 -2.441 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.087 -3.561 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.837 -0.706 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.364 -2.147 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.125 -1.781 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.220 -2.809 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.189 -1.131 2.146 1.00 0.00 H new ATOM 393 N VAL A 26 -6.563 -1.980 0.560 1.00 0.00 N ATOM 394 CA VAL A 26 -6.136 -2.604 -0.667 1.00 0.00 C ATOM 395 C VAL A 26 -6.978 -3.813 -0.987 1.00 0.00 C ATOM 396 O VAL A 26 -7.361 -4.572 -0.096 1.00 0.00 O ATOM 397 CB VAL A 26 -4.620 -2.990 -0.606 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.348 -4.370 -1.207 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.794 -1.942 -1.321 1.00 0.00 C ATOM 0 H VAL A 26 -6.449 -2.560 1.391 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.270 -1.877 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.335 -3.033 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.283 -4.592 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.911 -5.124 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.657 -4.379 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.740 -2.216 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.108 -1.880 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.939 -0.974 -0.840 1.00 0.00 H new ATOM 409 N ILE A 27 -7.294 -3.976 -2.252 1.00 0.00 N ATOM 410 CA ILE A 27 -7.990 -5.142 -2.711 1.00 0.00 C ATOM 411 C ILE A 27 -6.980 -6.022 -3.396 1.00 0.00 C ATOM 412 O ILE A 27 -6.445 -5.665 -4.444 1.00 0.00 O ATOM 413 CB ILE A 27 -9.134 -4.803 -3.701 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.197 -3.929 -3.026 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.765 -6.083 -4.249 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.888 -4.598 -1.858 1.00 0.00 C ATOM 0 H ILE A 27 -7.073 -3.302 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.453 -5.636 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.709 -4.242 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.729 -3.007 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.946 -3.648 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.566 -5.826 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.007 -6.668 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.172 -6.669 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.626 -3.917 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.386 -5.505 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.151 -4.854 -1.097 1.00 0.00 H new ATOM 428 N GLY A 28 -6.695 -7.151 -2.809 1.00 0.00 N ATOM 429 CA GLY A 28 -5.699 -8.014 -3.358 1.00 0.00 C ATOM 430 C GLY A 28 -6.245 -8.835 -4.484 1.00 0.00 C ATOM 431 O GLY A 28 -7.457 -8.922 -4.670 1.00 0.00 O ATOM 0 H GLY A 28 -7.138 -7.490 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.857 -7.420 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.317 -8.673 -2.578 1.00 0.00 H new ATOM 435 N GLN A 29 -5.365 -9.457 -5.235 1.00 0.00 N ATOM 436 CA GLN A 29 -5.768 -10.329 -6.327 1.00 0.00 C ATOM 437 C GLN A 29 -6.565 -11.529 -5.803 1.00 0.00 C ATOM 438 O GLN A 29 -7.304 -12.184 -6.540 1.00 0.00 O ATOM 439 CB GLN A 29 -4.553 -10.790 -7.156 1.00 0.00 C ATOM 440 CG GLN A 29 -3.217 -10.943 -6.399 1.00 0.00 C ATOM 441 CD GLN A 29 -3.316 -11.721 -5.086 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.362 -12.938 -5.078 1.00 0.00 O ATOM 443 NE2 GLN A 29 -3.267 -11.010 -3.966 1.00 0.00 N ATOM 0 H GLN A 29 -4.356 -9.377 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.417 -9.755 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.797 -11.749 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.405 -10.078 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.501 -11.444 -7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.817 -9.951 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.229 -9.992 -4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.267 -11.482 -3.062 1.00 0.00 H new ATOM 452 N ASP A 30 -6.405 -11.804 -4.522 1.00 0.00 N ATOM 453 CA ASP A 30 -7.122 -12.877 -3.846 1.00 0.00 C ATOM 454 C ASP A 30 -8.349 -12.301 -3.125 1.00 0.00 C ATOM 455 O ASP A 30 -8.978 -12.957 -2.294 1.00 0.00 O ATOM 456 CB ASP A 30 -6.174 -13.562 -2.850 1.00 0.00 C ATOM 457 CG ASP A 30 -6.781 -14.755 -2.145 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.111 -15.754 -2.821 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.925 -14.708 -0.907 1.00 0.00 O ATOM 0 H ASP A 30 -5.770 -11.287 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.466 -13.615 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.277 -13.883 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.859 -12.833 -2.103 1.00 0.00 H new ATOM 464 N SER A 31 -8.680 -11.046 -3.460 1.00 0.00 N ATOM 465 CA SER A 31 -9.808 -10.320 -2.864 1.00 0.00 C ATOM 466 C SER A 31 -9.518 -9.974 -1.401 1.00 0.00 C ATOM 467 O SER A 31 -10.405 -9.590 -0.645 1.00 0.00 O ATOM 468 CB SER A 31 -11.113 -11.124 -2.996 1.00 0.00 C ATOM 469 OG SER A 31 -11.355 -11.470 -4.355 1.00 0.00 O ATOM 0 H SER A 31 -8.169 -10.504 -4.156 1.00 0.00 H new ATOM 0 HA SER A 31 -9.937 -9.386 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.052 -12.028 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.947 -10.538 -2.610 1.00 0.00 H new ATOM 0 HG SER A 31 -12.188 -11.982 -4.419 1.00 0.00 H new ATOM 475 N SER A 32 -8.256 -10.094 -1.021 1.00 0.00 N ATOM 476 CA SER A 32 -7.820 -9.821 0.333 1.00 0.00 C ATOM 477 C SER A 32 -7.831 -8.322 0.606 1.00 0.00 C ATOM 478 O SER A 32 -7.120 -7.561 -0.050 1.00 0.00 O ATOM 479 CB SER A 32 -6.404 -10.381 0.534 1.00 0.00 C ATOM 480 OG SER A 32 -6.070 -10.463 1.910 1.00 0.00 O ATOM 0 H SER A 32 -7.505 -10.385 -1.647 1.00 0.00 H new ATOM 0 HA SER A 32 -8.505 -10.302 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.335 -11.370 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.683 -9.745 0.020 1.00 0.00 H new ATOM 0 HG SER A 32 -5.164 -10.824 2.006 1.00 0.00 H new ATOM 486 N GLU A 33 -8.658 -7.889 1.546 1.00 0.00 N ATOM 487 CA GLU A 33 -8.717 -6.486 1.905 1.00 0.00 C ATOM 488 C GLU A 33 -7.727 -6.171 3.006 1.00 0.00 C ATOM 489 O GLU A 33 -7.934 -6.520 4.171 1.00 0.00 O ATOM 490 CB GLU A 33 -10.107 -6.088 2.379 1.00 0.00 C ATOM 491 CG GLU A 33 -11.208 -6.245 1.353 1.00 0.00 C ATOM 492 CD GLU A 33 -12.516 -5.671 1.846 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.652 -4.429 1.864 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.405 -6.453 2.236 1.00 0.00 O ATOM 0 H GLU A 33 -9.294 -8.489 2.071 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.469 -5.920 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.360 -6.687 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.079 -5.047 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.917 -5.747 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.339 -7.301 1.119 1.00 0.00 H new ATOM 501 N ILE A 34 -6.661 -5.507 2.658 1.00 0.00 N ATOM 502 CA ILE A 34 -5.663 -5.124 3.627 1.00 0.00 C ATOM 503 C ILE A 34 -5.929 -3.695 4.066 1.00 0.00 C ATOM 504 O ILE A 34 -6.238 -2.833 3.242 1.00 0.00 O ATOM 505 CB ILE A 34 -4.234 -5.225 3.033 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.996 -6.620 2.427 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.184 -4.921 4.100 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.982 -7.743 3.448 1.00 0.00 C ATOM 0 H ILE A 34 -6.456 -5.216 1.702 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.724 -5.803 4.478 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.142 -4.484 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.774 -6.822 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.045 -6.616 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.188 -4.997 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.336 -3.912 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.277 -5.637 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.809 -8.693 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.186 -7.567 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.941 -7.777 3.965 1.00 0.00 H new ATOM 520 N HIS A 35 -5.843 -3.436 5.358 1.00 0.00 N ATOM 521 CA HIS A 35 -6.112 -2.109 5.894 1.00 0.00 C ATOM 522 C HIS A 35 -4.854 -1.540 6.505 1.00 0.00 C ATOM 523 O HIS A 35 -4.176 -2.206 7.290 1.00 0.00 O ATOM 524 CB HIS A 35 -7.209 -2.156 6.965 1.00 0.00 C ATOM 525 CG HIS A 35 -8.583 -2.452 6.449 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.715 -1.883 6.980 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.006 -3.285 5.473 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.775 -2.353 6.357 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.375 -3.211 5.433 1.00 0.00 N ATOM 0 H HIS A 35 -5.588 -4.130 6.061 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.450 -1.477 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.943 -2.913 7.703 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.231 -1.198 7.484 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.381 -3.897 4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.800 -2.083 6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.982 -3.730 4.798 1.00 0.00 H new ATOM 538 N PHE A 36 -4.529 -0.319 6.162 1.00 0.00 N ATOM 539 CA PHE A 36 -3.334 0.318 6.678 1.00 0.00 C ATOM 540 C PHE A 36 -3.532 1.814 6.844 1.00 0.00 C ATOM 541 O PHE A 36 -4.303 2.444 6.115 1.00 0.00 O ATOM 542 CB PHE A 36 -2.137 0.025 5.767 1.00 0.00 C ATOM 543 CG PHE A 36 -2.506 -0.064 4.319 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.719 1.075 3.576 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.664 -1.293 3.708 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.076 0.988 2.252 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.023 -1.380 2.385 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.228 -0.239 1.659 1.00 0.00 C ATOM 0 H PHE A 36 -5.076 0.260 5.524 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.130 -0.098 7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.389 0.807 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.675 -0.912 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.605 2.045 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.503 -2.196 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.237 1.888 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.143 -2.347 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.510 -0.305 0.618 1.00 0.00 H new ATOM 558 N LYS A 37 -2.853 2.374 7.819 1.00 0.00 N ATOM 559 CA LYS A 37 -2.914 3.791 8.088 1.00 0.00 C ATOM 560 C LYS A 37 -1.602 4.454 7.727 1.00 0.00 C ATOM 561 O LYS A 37 -0.542 4.070 8.222 1.00 0.00 O ATOM 562 CB LYS A 37 -3.225 4.024 9.555 1.00 0.00 C ATOM 563 CG LYS A 37 -4.631 3.628 9.956 1.00 0.00 C ATOM 564 CD LYS A 37 -4.784 3.625 11.459 1.00 0.00 C ATOM 565 CE LYS A 37 -4.119 2.419 12.078 1.00 0.00 C ATOM 566 NZ LYS A 37 -3.933 2.581 13.541 1.00 0.00 N ATOM 0 H LYS A 37 -2.241 1.857 8.450 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.705 4.229 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.514 3.463 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.076 5.079 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.348 4.321 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.861 2.638 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.349 4.535 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.843 3.632 11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.723 1.532 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.151 2.255 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.384 1.779 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.423 3.467 13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.862 2.610 14.008 1.00 0.00 H new ATOM 580 N VAL A 38 -1.667 5.440 6.861 1.00 0.00 N ATOM 581 CA VAL A 38 -0.483 6.168 6.428 1.00 0.00 C ATOM 582 C VAL A 38 -0.818 7.639 6.287 1.00 0.00 C ATOM 583 O VAL A 38 -1.977 8.016 6.261 1.00 0.00 O ATOM 584 CB VAL A 38 0.081 5.647 5.071 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.414 4.163 5.135 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.885 5.931 3.934 1.00 0.00 C ATOM 0 H VAL A 38 -2.536 5.763 6.435 1.00 0.00 H new ATOM 0 HA VAL A 38 0.284 6.012 7.187 1.00 0.00 H new ATOM 0 HB VAL A 38 1.008 6.187 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.804 3.836 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.164 3.991 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.487 3.598 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.467 5.557 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.835 5.434 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.048 7.006 3.855 1.00 0.00 H new ATOM 596 N LYS A 39 0.180 8.479 6.197 1.00 0.00 N ATOM 597 CA LYS A 39 -0.069 9.900 6.057 1.00 0.00 C ATOM 598 C LYS A 39 -0.296 10.279 4.628 1.00 0.00 C ATOM 599 O LYS A 39 -0.189 9.459 3.721 1.00 0.00 O ATOM 600 CB LYS A 39 1.073 10.712 6.585 1.00 0.00 C ATOM 601 CG LYS A 39 1.249 10.647 8.067 1.00 0.00 C ATOM 602 CD LYS A 39 2.292 11.629 8.481 1.00 0.00 C ATOM 603 CE LYS A 39 1.749 13.043 8.538 1.00 0.00 C ATOM 604 NZ LYS A 39 2.749 13.990 9.088 1.00 0.00 N ATOM 0 H LYS A 39 1.165 8.213 6.217 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.967 10.112 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.993 10.374 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.927 11.752 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.306 10.868 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.541 9.640 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.684 11.351 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.126 11.589 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.457 13.362 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.850 13.064 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.344 14.947 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.009 13.699 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.597 13.988 8.486 1.00 0.00 H new ATOM 618 N MET A 40 -0.595 11.533 4.414 1.00 0.00 N ATOM 619 CA MET A 40 -0.812 12.041 3.076 1.00 0.00 C ATOM 620 C MET A 40 0.501 12.453 2.454 1.00 0.00 C ATOM 621 O MET A 40 0.713 12.310 1.252 1.00 0.00 O ATOM 622 CB MET A 40 -1.756 13.244 3.110 1.00 0.00 C ATOM 623 CG MET A 40 -3.174 12.904 3.520 1.00 0.00 C ATOM 624 SD MET A 40 -4.377 13.309 2.241 1.00 0.00 S ATOM 625 CE MET A 40 -3.759 12.320 0.876 1.00 0.00 C ATOM 0 H MET A 40 -0.695 12.230 5.152 1.00 0.00 H new ATOM 0 HA MET A 40 -1.262 11.249 2.478 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.357 13.986 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.775 13.706 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.237 11.840 3.750 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.424 13.443 4.434 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.260 12.618 -0.045 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.685 12.475 0.771 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.956 11.266 1.072 1.00 0.00 H new ATOM 635 N THR A 41 1.396 12.953 3.286 1.00 0.00 N ATOM 636 CA THR A 41 2.680 13.435 2.833 1.00 0.00 C ATOM 637 C THR A 41 3.755 12.341 2.940 1.00 0.00 C ATOM 638 O THR A 41 4.952 12.625 3.032 1.00 0.00 O ATOM 639 CB THR A 41 3.095 14.704 3.634 1.00 0.00 C ATOM 640 OG1 THR A 41 4.367 15.196 3.196 1.00 0.00 O ATOM 641 CG2 THR A 41 3.144 14.415 5.128 1.00 0.00 C ATOM 0 H THR A 41 1.250 13.035 4.292 1.00 0.00 H new ATOM 0 HA THR A 41 2.590 13.705 1.781 1.00 0.00 H new ATOM 0 HB THR A 41 2.340 15.468 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.957 14.441 2.990 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.436 15.318 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.160 14.093 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.871 13.626 5.322 1.00 0.00 H new ATOM 649 N THR A 42 3.332 11.092 2.900 1.00 0.00 N ATOM 650 CA THR A 42 4.265 9.983 2.968 1.00 0.00 C ATOM 651 C THR A 42 4.364 9.309 1.602 1.00 0.00 C ATOM 652 O THR A 42 3.608 9.636 0.683 1.00 0.00 O ATOM 653 CB THR A 42 3.855 8.943 4.045 1.00 0.00 C ATOM 654 OG1 THR A 42 4.947 8.053 4.313 1.00 0.00 O ATOM 655 CG2 THR A 42 2.654 8.129 3.588 1.00 0.00 C ATOM 0 H THR A 42 2.352 10.820 2.821 1.00 0.00 H new ATOM 0 HA THR A 42 5.237 10.384 3.254 1.00 0.00 H new ATOM 0 HB THR A 42 3.590 9.488 4.951 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.679 7.402 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.388 7.408 4.361 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.810 8.795 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.902 7.600 2.668 1.00 0.00 H new ATOM 663 N HIS A 43 5.283 8.376 1.456 1.00 0.00 N ATOM 664 CA HIS A 43 5.457 7.687 0.194 1.00 0.00 C ATOM 665 C HIS A 43 4.649 6.407 0.145 1.00 0.00 C ATOM 666 O HIS A 43 4.512 5.693 1.141 1.00 0.00 O ATOM 667 CB HIS A 43 6.926 7.374 -0.075 1.00 0.00 C ATOM 668 CG HIS A 43 7.745 8.548 -0.502 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.114 8.585 -0.392 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.384 9.719 -1.075 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.562 9.721 -0.878 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.533 10.426 -1.299 1.00 0.00 N ATOM 0 H HIS A 43 5.920 8.078 2.195 1.00 0.00 H new ATOM 0 HA HIS A 43 5.095 8.360 -0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.365 6.951 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.985 6.607 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.379 10.036 -1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.598 10.024 -0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.584 11.352 -1.724 1.00 0.00 H new ATOM 681 N LEU A 44 4.128 6.108 -1.030 1.00 0.00 N ATOM 682 CA LEU A 44 3.352 4.898 -1.258 1.00 0.00 C ATOM 683 C LEU A 44 4.236 3.673 -1.160 1.00 0.00 C ATOM 684 O LEU A 44 3.753 2.563 -1.000 1.00 0.00 O ATOM 685 CB LEU A 44 2.692 4.944 -2.642 1.00 0.00 C ATOM 686 CG LEU A 44 1.164 5.066 -2.673 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.510 3.804 -2.152 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.704 6.261 -1.874 1.00 0.00 C ATOM 0 H LEU A 44 4.230 6.697 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 44 2.579 4.839 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.112 5.787 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.972 4.040 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 44 0.862 5.207 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.574 3.916 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.806 2.958 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.826 3.628 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.383 6.327 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.026 6.152 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.137 7.169 -2.295 1.00 0.00 H new ATOM 700 N LYS A 45 5.547 3.883 -1.251 1.00 0.00 N ATOM 701 CA LYS A 45 6.520 2.801 -1.188 1.00 0.00 C ATOM 702 C LYS A 45 6.355 1.962 0.072 1.00 0.00 C ATOM 703 O LYS A 45 6.351 0.732 0.015 1.00 0.00 O ATOM 704 CB LYS A 45 7.946 3.354 -1.302 1.00 0.00 C ATOM 705 CG LYS A 45 8.333 4.359 -0.223 1.00 0.00 C ATOM 706 CD LYS A 45 9.205 3.726 0.859 1.00 0.00 C ATOM 707 CE LYS A 45 10.543 3.265 0.300 1.00 0.00 C ATOM 708 NZ LYS A 45 11.374 2.600 1.331 1.00 0.00 N ATOM 0 H LYS A 45 5.962 4.807 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 45 6.337 2.141 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.647 2.520 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.059 3.828 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.868 5.193 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.431 4.769 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.373 4.446 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.682 2.877 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.373 2.577 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.082 4.122 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.277 2.301 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.558 3.264 2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.871 1.767 1.698 1.00 0.00 H new ATOM 722 N LYS A 46 6.183 2.621 1.210 1.00 0.00 N ATOM 723 CA LYS A 46 6.035 1.924 2.460 1.00 0.00 C ATOM 724 C LYS A 46 4.657 1.283 2.553 1.00 0.00 C ATOM 725 O LYS A 46 4.459 0.309 3.255 1.00 0.00 O ATOM 726 CB LYS A 46 6.321 2.870 3.642 1.00 0.00 C ATOM 727 CG LYS A 46 5.385 4.072 3.769 1.00 0.00 C ATOM 728 CD LYS A 46 4.057 3.726 4.450 1.00 0.00 C ATOM 729 CE LYS A 46 4.251 3.184 5.869 1.00 0.00 C ATOM 730 NZ LYS A 46 4.543 1.718 5.909 1.00 0.00 N ATOM 0 H LYS A 46 6.144 3.638 1.283 1.00 0.00 H new ATOM 0 HA LYS A 46 6.768 1.119 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.270 2.294 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.343 3.237 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.885 4.857 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.184 4.476 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.428 4.616 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.527 2.986 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.069 3.723 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.352 3.384 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.844 1.241 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.492 1.327 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.497 1.564 6.294 1.00 0.00 H new ATOM 744 N LEU A 47 3.698 1.852 1.848 1.00 0.00 N ATOM 745 CA LEU A 47 2.343 1.330 1.815 1.00 0.00 C ATOM 746 C LEU A 47 2.281 0.046 0.987 1.00 0.00 C ATOM 747 O LEU A 47 1.780 -0.981 1.448 1.00 0.00 O ATOM 748 CB LEU A 47 1.400 2.405 1.241 1.00 0.00 C ATOM 749 CG LEU A 47 -0.104 2.091 1.230 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.902 3.382 1.140 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.474 1.173 0.063 1.00 0.00 C ATOM 0 H LEU A 47 3.835 2.689 1.282 1.00 0.00 H new ATOM 0 HA LEU A 47 2.024 1.083 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.549 3.323 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.709 2.612 0.216 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.346 1.574 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.967 3.151 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.673 4.012 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.639 3.909 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.545 0.971 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.215 1.659 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.074 0.235 0.150 1.00 0.00 H new ATOM 763 N LYS A 48 2.800 0.105 -0.236 1.00 0.00 N ATOM 764 CA LYS A 48 2.780 -1.040 -1.138 1.00 0.00 C ATOM 765 C LYS A 48 3.520 -2.236 -0.543 1.00 0.00 C ATOM 766 O LYS A 48 3.057 -3.373 -0.627 1.00 0.00 O ATOM 767 CB LYS A 48 3.320 -0.657 -2.541 1.00 0.00 C ATOM 768 CG LYS A 48 4.625 0.128 -2.526 1.00 0.00 C ATOM 769 CD LYS A 48 4.818 0.951 -3.806 1.00 0.00 C ATOM 770 CE LYS A 48 5.272 0.109 -4.983 1.00 0.00 C ATOM 771 NZ LYS A 48 6.646 -0.433 -4.801 1.00 0.00 N ATOM 0 H LYS A 48 3.241 0.938 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 48 1.742 -1.346 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.466 -1.568 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.563 -0.068 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.638 0.793 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.461 -0.562 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.880 1.446 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.552 1.735 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.575 -0.717 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.240 0.712 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.802 -1.215 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.342 0.319 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.755 -0.782 -3.827 1.00 0.00 H new ATOM 785 N GLU A 49 4.648 -1.985 0.091 1.00 0.00 N ATOM 786 CA GLU A 49 5.397 -3.065 0.721 1.00 0.00 C ATOM 787 C GLU A 49 4.680 -3.552 1.982 1.00 0.00 C ATOM 788 O GLU A 49 4.719 -4.735 2.318 1.00 0.00 O ATOM 789 CB GLU A 49 6.847 -2.642 1.019 1.00 0.00 C ATOM 790 CG GLU A 49 6.989 -1.445 1.944 1.00 0.00 C ATOM 791 CD GLU A 49 7.379 -1.828 3.348 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.568 -2.132 3.571 1.00 0.00 O ATOM 793 OE2 GLU A 49 6.511 -1.812 4.236 1.00 0.00 O ATOM 0 H GLU A 49 5.065 -1.059 0.186 1.00 0.00 H new ATOM 0 HA GLU A 49 5.446 -3.899 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.373 -3.488 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.344 -2.415 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.738 -0.766 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.046 -0.900 1.971 1.00 0.00 H new ATOM 800 N SER A 50 3.974 -2.640 2.650 1.00 0.00 N ATOM 801 CA SER A 50 3.269 -2.954 3.885 1.00 0.00 C ATOM 802 C SER A 50 2.122 -3.935 3.641 1.00 0.00 C ATOM 803 O SER A 50 1.923 -4.881 4.408 1.00 0.00 O ATOM 804 CB SER A 50 2.736 -1.671 4.532 1.00 0.00 C ATOM 805 OG SER A 50 2.324 -1.888 5.873 1.00 0.00 O ATOM 0 H SER A 50 3.877 -1.670 2.350 1.00 0.00 H new ATOM 0 HA SER A 50 3.979 -3.429 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.510 -0.904 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.895 -1.293 3.950 1.00 0.00 H new ATOM 0 HG SER A 50 1.992 -1.048 6.253 1.00 0.00 H new ATOM 811 N TYR A 51 1.361 -3.731 2.577 1.00 0.00 N ATOM 812 CA TYR A 51 0.255 -4.623 2.306 1.00 0.00 C ATOM 813 C TYR A 51 0.760 -5.938 1.724 1.00 0.00 C ATOM 814 O TYR A 51 0.193 -6.999 1.982 1.00 0.00 O ATOM 815 CB TYR A 51 -0.815 -3.968 1.404 1.00 0.00 C ATOM 816 CG TYR A 51 -0.563 -4.055 -0.085 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.900 -5.201 -0.792 1.00 0.00 C ATOM 818 CD2 TYR A 51 -0.011 -2.996 -0.781 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.690 -5.289 -2.145 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.203 -3.078 -2.146 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.137 -4.227 -2.818 1.00 0.00 C ATOM 822 OH TYR A 51 0.074 -4.311 -4.167 1.00 0.00 O ATOM 0 H TYR A 51 1.487 -2.974 1.905 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.237 -4.840 3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.778 -4.432 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.900 -2.917 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.335 -6.039 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.257 -2.093 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.958 -6.189 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.635 -2.244 -2.679 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.567 -4.939 -4.560 1.00 0.00 H new ATOM 832 N CYS A 52 1.852 -5.880 0.953 1.00 0.00 N ATOM 833 CA CYS A 52 2.425 -7.085 0.366 1.00 0.00 C ATOM 834 C CYS A 52 2.915 -8.013 1.450 1.00 0.00 C ATOM 835 O CYS A 52 2.647 -9.221 1.430 1.00 0.00 O ATOM 836 CB CYS A 52 3.577 -6.742 -0.572 1.00 0.00 C ATOM 837 SG CYS A 52 3.079 -5.882 -2.077 1.00 0.00 S ATOM 0 H CYS A 52 2.349 -5.018 0.726 1.00 0.00 H new ATOM 0 HA CYS A 52 1.644 -7.581 -0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.295 -6.123 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.092 -7.662 -0.847 1.00 0.00 H new ATOM 0 HG CYS A 52 2.906 -4.620 -1.818 1.00 0.00 H new ATOM 843 N GLN A 53 3.607 -7.446 2.426 1.00 0.00 N ATOM 844 CA GLN A 53 4.152 -8.224 3.514 1.00 0.00 C ATOM 845 C GLN A 53 3.027 -8.807 4.364 1.00 0.00 C ATOM 846 O GLN A 53 3.158 -9.899 4.911 1.00 0.00 O ATOM 847 CB GLN A 53 5.105 -7.383 4.371 1.00 0.00 C ATOM 848 CG GLN A 53 4.432 -6.235 5.089 1.00 0.00 C ATOM 849 CD GLN A 53 5.387 -5.386 5.888 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.553 -5.232 5.531 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.902 -4.829 6.977 1.00 0.00 N ATOM 0 H GLN A 53 3.802 -6.446 2.482 1.00 0.00 H new ATOM 0 HA GLN A 53 4.727 -9.047 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.582 -8.030 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.896 -6.987 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.924 -5.607 4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.666 -6.632 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.928 -4.982 7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.500 -4.244 7.560 1.00 0.00 H new ATOM 860 N ARG A 54 1.912 -8.059 4.496 1.00 0.00 N ATOM 861 CA ARG A 54 0.735 -8.548 5.219 1.00 0.00 C ATOM 862 C ARG A 54 0.248 -9.866 4.642 1.00 0.00 C ATOM 863 O ARG A 54 -0.157 -10.767 5.368 1.00 0.00 O ATOM 864 CB ARG A 54 -0.401 -7.522 5.149 1.00 0.00 C ATOM 865 CG ARG A 54 -0.288 -6.356 6.121 1.00 0.00 C ATOM 866 CD ARG A 54 -0.549 -6.794 7.553 1.00 0.00 C ATOM 867 NE ARG A 54 0.686 -7.028 8.300 1.00 0.00 N ATOM 868 CZ ARG A 54 0.830 -7.956 9.246 1.00 0.00 C ATOM 869 NH1 ARG A 54 -0.148 -8.822 9.487 1.00 0.00 N ATOM 870 NH2 ARG A 54 1.954 -8.023 9.945 1.00 0.00 N ATOM 0 H ARG A 54 1.809 -7.120 4.111 1.00 0.00 H new ATOM 0 HA ARG A 54 1.027 -8.701 6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.447 -7.125 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.344 -8.036 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.707 -5.917 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.000 -5.579 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.138 -6.031 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.145 -7.706 7.548 1.00 0.00 H new ATOM 0 HE ARG A 54 1.492 -6.442 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.012 -8.778 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.034 -9.531 10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.710 -7.364 9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.063 -8.734 10.669 1.00 0.00 H new ATOM 884 N GLN A 55 0.294 -9.978 3.325 1.00 0.00 N ATOM 885 CA GLN A 55 -0.172 -11.173 2.644 1.00 0.00 C ATOM 886 C GLN A 55 0.890 -12.259 2.643 1.00 0.00 C ATOM 887 O GLN A 55 0.581 -13.443 2.503 1.00 0.00 O ATOM 888 CB GLN A 55 -0.551 -10.828 1.212 1.00 0.00 C ATOM 889 CG GLN A 55 -1.699 -9.842 1.108 1.00 0.00 C ATOM 890 CD GLN A 55 -1.586 -8.934 -0.101 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.587 -8.542 -0.697 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.366 -8.570 -0.448 1.00 0.00 N ATOM 0 H GLN A 55 0.651 -9.252 2.704 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.043 -11.551 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.320 -10.413 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.821 -11.744 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.640 -10.391 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.732 -9.234 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.438 -8.919 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.227 -7.940 -1.238 1.00 0.00 H new ATOM 901 N GLY A 56 2.147 -11.872 2.810 1.00 0.00 N ATOM 902 CA GLY A 56 3.218 -12.846 2.827 1.00 0.00 C ATOM 903 C GLY A 56 3.671 -13.205 1.428 1.00 0.00 C ATOM 904 O GLY A 56 4.137 -14.316 1.178 1.00 0.00 O ATOM 0 H GLY A 56 2.443 -10.904 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.062 -12.449 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.883 -13.746 3.343 1.00 0.00 H new ATOM 908 N VAL A 57 3.542 -12.261 0.504 1.00 0.00 N ATOM 909 CA VAL A 57 3.901 -12.501 -0.883 1.00 0.00 C ATOM 910 C VAL A 57 4.827 -11.403 -1.398 1.00 0.00 C ATOM 911 O VAL A 57 4.763 -10.257 -0.933 1.00 0.00 O ATOM 912 CB VAL A 57 2.645 -12.584 -1.799 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.686 -13.663 -1.315 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.940 -11.238 -1.884 1.00 0.00 C ATOM 0 H VAL A 57 3.191 -11.322 0.693 1.00 0.00 H new ATOM 0 HA VAL A 57 4.417 -13.461 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 57 2.982 -12.854 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.818 -13.700 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.190 -14.629 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.363 -13.434 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.066 -11.325 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.625 -10.929 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.623 -10.495 -2.295 1.00 0.00 H new ATOM 924 N PRO A 58 5.712 -11.740 -2.350 1.00 0.00 N ATOM 925 CA PRO A 58 6.629 -10.772 -2.947 1.00 0.00 C ATOM 926 C PRO A 58 5.898 -9.700 -3.757 1.00 0.00 C ATOM 927 O PRO A 58 4.845 -9.951 -4.357 1.00 0.00 O ATOM 928 CB PRO A 58 7.518 -11.618 -3.854 1.00 0.00 C ATOM 929 CG PRO A 58 6.728 -12.847 -4.128 1.00 0.00 C ATOM 930 CD PRO A 58 5.903 -13.090 -2.899 1.00 0.00 C ATOM 0 HA PRO A 58 7.185 -10.223 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.758 -11.089 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.464 -11.857 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.093 -12.716 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.383 -13.694 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.952 -13.565 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.416 -13.743 -2.193 1.00 0.00 H new ATOM 938 N MET A 59 6.480 -8.512 -3.802 1.00 0.00 N ATOM 939 CA MET A 59 5.880 -7.364 -4.486 1.00 0.00 C ATOM 940 C MET A 59 5.985 -7.498 -5.998 1.00 0.00 C ATOM 941 O MET A 59 5.395 -6.725 -6.747 1.00 0.00 O ATOM 942 CB MET A 59 6.565 -6.076 -4.042 1.00 0.00 C ATOM 943 CG MET A 59 6.614 -5.898 -2.539 1.00 0.00 C ATOM 944 SD MET A 59 7.424 -4.365 -2.045 1.00 0.00 S ATOM 945 CE MET A 59 6.291 -3.158 -2.721 1.00 0.00 C ATOM 0 H MET A 59 7.381 -8.311 -3.368 1.00 0.00 H new ATOM 0 HA MET A 59 4.824 -7.333 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.582 -6.063 -4.434 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.043 -5.227 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.599 -5.912 -2.143 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.141 -6.742 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.530 -2.172 -2.323 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.381 -3.143 -3.807 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.270 -3.423 -2.445 1.00 0.00 H new ATOM 955 N ASN A 60 6.735 -8.477 -6.444 1.00 0.00 N ATOM 956 CA ASN A 60 6.938 -8.707 -7.866 1.00 0.00 C ATOM 957 C ASN A 60 5.911 -9.682 -8.419 1.00 0.00 C ATOM 958 O ASN A 60 5.822 -9.894 -9.624 1.00 0.00 O ATOM 959 CB ASN A 60 8.356 -9.227 -8.121 1.00 0.00 C ATOM 960 CG ASN A 60 8.744 -10.346 -7.172 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.280 -10.093 -6.094 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.478 -11.574 -7.554 1.00 0.00 N ATOM 0 H ASN A 60 7.223 -9.138 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 60 6.810 -7.756 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.429 -9.584 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.065 -8.405 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.717 -12.359 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.032 -11.742 -8.456 1.00 0.00 H new ATOM 969 N SER A 61 5.135 -10.284 -7.539 1.00 0.00 N ATOM 970 CA SER A 61 4.123 -11.237 -7.949 1.00 0.00 C ATOM 971 C SER A 61 2.770 -10.568 -8.182 1.00 0.00 C ATOM 972 O SER A 61 1.902 -11.111 -8.874 1.00 0.00 O ATOM 973 CB SER A 61 3.994 -12.334 -6.904 1.00 0.00 C ATOM 974 OG SER A 61 5.191 -13.083 -6.809 1.00 0.00 O ATOM 0 H SER A 61 5.187 -10.129 -6.532 1.00 0.00 H new ATOM 0 HA SER A 61 4.439 -11.671 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.758 -11.893 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.167 -12.994 -7.164 1.00 0.00 H new ATOM 0 HG SER A 61 5.038 -13.875 -6.252 1.00 0.00 H new ATOM 980 N LEU A 62 2.573 -9.397 -7.618 1.00 0.00 N ATOM 981 CA LEU A 62 1.314 -8.704 -7.775 1.00 0.00 C ATOM 982 C LEU A 62 1.494 -7.245 -8.204 1.00 0.00 C ATOM 983 O LEU A 62 2.531 -6.634 -7.968 1.00 0.00 O ATOM 984 CB LEU A 62 0.461 -8.837 -6.508 1.00 0.00 C ATOM 985 CG LEU A 62 1.166 -8.600 -5.180 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.516 -7.133 -5.002 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.298 -9.093 -4.038 1.00 0.00 C ATOM 0 H LEU A 62 3.264 -8.907 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 62 0.776 -9.186 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.370 -8.135 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.031 -9.839 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 62 2.099 -9.163 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.019 -6.992 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.177 -6.816 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.604 -6.536 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.810 -8.920 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.650 -8.554 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.109 -10.160 -4.159 1.00 0.00 H new ATOM 999 N ARG A 63 0.472 -6.708 -8.844 1.00 0.00 N ATOM 1000 CA ARG A 63 0.513 -5.345 -9.352 1.00 0.00 C ATOM 1001 C ARG A 63 -0.324 -4.412 -8.508 1.00 0.00 C ATOM 1002 O ARG A 63 -1.480 -4.688 -8.218 1.00 0.00 O ATOM 1003 CB ARG A 63 0.038 -5.277 -10.807 1.00 0.00 C ATOM 1004 CG ARG A 63 0.704 -6.282 -11.719 1.00 0.00 C ATOM 1005 CD ARG A 63 0.389 -6.020 -13.185 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.050 -5.995 -13.451 1.00 0.00 N ATOM 1007 CZ ARG A 63 -1.707 -6.918 -14.155 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -1.071 -7.993 -14.625 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.003 -6.768 -14.386 1.00 0.00 N ATOM 0 H ARG A 63 -0.404 -7.198 -9.026 1.00 0.00 H new ATOM 0 HA ARG A 63 1.554 -5.024 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.040 -5.436 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.222 -4.274 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.783 -6.248 -11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.376 -7.287 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.827 -5.068 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.856 -6.792 -13.798 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.589 -5.217 -13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.074 -8.114 -14.447 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.582 -8.693 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.494 -5.950 -14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.510 -7.471 -14.924 1.00 0.00 H new ATOM 1023 N PHE A 64 0.265 -3.308 -8.125 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.404 -2.286 -7.345 1.00 0.00 C ATOM 1025 C PHE A 64 -0.701 -1.067 -8.208 1.00 0.00 C ATOM 1026 O PHE A 64 0.215 -0.405 -8.713 1.00 0.00 O ATOM 1027 CB PHE A 64 0.466 -1.894 -6.140 1.00 0.00 C ATOM 1028 CG PHE A 64 1.944 -2.162 -6.344 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.658 -1.488 -7.327 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.609 -3.098 -5.566 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.995 -1.747 -7.532 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.951 -3.357 -5.762 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.644 -2.683 -6.749 1.00 0.00 C ATOM 0 H PHE A 64 1.236 -3.086 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.351 -2.684 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.323 -0.834 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.124 -2.442 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.158 -0.751 -7.938 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.070 -3.631 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.536 -1.219 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.458 -4.085 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.692 -2.887 -6.909 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.970 -0.767 -8.401 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.348 0.375 -9.200 1.00 0.00 C ATOM 1045 C LEU A 65 -3.563 1.088 -8.611 1.00 0.00 C ATOM 1046 O LEU A 65 -4.291 0.540 -7.787 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.567 -0.018 -10.702 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.872 -0.748 -11.098 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.154 -1.910 -10.185 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.054 0.218 -11.159 1.00 0.00 C ATOM 0 H LEU A 65 -2.752 -1.297 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.519 1.082 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.507 0.895 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.731 -0.649 -11.003 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.729 -1.152 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.078 -2.399 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.331 -2.623 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.257 -1.551 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.955 -0.327 -11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.198 0.679 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.853 0.993 -11.899 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.776 2.303 -9.046 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.881 3.112 -8.601 1.00 0.00 C ATOM 1064 C PHE A 66 -5.354 3.952 -9.757 1.00 0.00 C ATOM 1065 O PHE A 66 -4.541 4.457 -10.505 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.446 4.006 -7.442 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.506 4.942 -6.964 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.543 4.480 -6.188 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.456 6.288 -7.283 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.519 5.338 -5.733 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.428 7.156 -6.837 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.465 6.681 -6.058 1.00 0.00 C ATOM 0 H PHE A 66 -3.177 2.765 -9.730 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.692 2.473 -8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.130 3.376 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.576 4.586 -7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.592 3.432 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.644 6.662 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.327 4.962 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.380 8.204 -7.095 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.230 7.356 -5.704 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.677 4.072 -9.916 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.315 4.848 -11.010 1.00 0.00 C ATOM 1084 C GLU A 67 -6.738 4.484 -12.393 1.00 0.00 C ATOM 1085 O GLU A 67 -6.799 5.280 -13.335 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.204 6.381 -10.777 1.00 0.00 C ATOM 1087 CG GLU A 67 -5.802 6.939 -10.944 1.00 0.00 C ATOM 1088 CD GLU A 67 -5.765 8.435 -11.135 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.100 8.906 -12.242 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.380 9.146 -10.194 1.00 0.00 O ATOM 0 H GLU A 67 -7.350 3.633 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.370 4.574 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.871 6.891 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.556 6.610 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.210 6.679 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.329 6.460 -11.801 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.231 3.267 -12.537 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.623 2.866 -13.791 1.00 0.00 C ATOM 1099 C GLY A 68 -4.177 3.322 -13.926 1.00 0.00 C ATOM 1100 O GLY A 68 -3.656 3.446 -15.033 1.00 0.00 O ATOM 0 H GLY A 68 -6.230 2.552 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.665 1.780 -13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.205 3.274 -14.617 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.521 3.571 -12.809 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.131 4.009 -12.819 1.00 0.00 C ATOM 1106 C GLN A 69 -1.320 3.142 -11.871 1.00 0.00 C ATOM 1107 O GLN A 69 -1.760 2.848 -10.764 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.017 5.489 -12.384 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.674 5.666 -10.903 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.663 7.099 -10.453 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.651 7.788 -10.561 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -2.764 7.539 -9.891 1.00 0.00 N ATOM 0 H GLN A 69 -3.927 3.478 -11.878 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.746 3.914 -13.834 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.252 5.979 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.960 5.994 -12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.396 5.112 -10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.695 5.226 -10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.580 6.931 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.804 8.489 -9.522 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.170 2.694 -12.300 1.00 0.00 N ATOM 1122 CA ARG A 70 0.706 1.919 -11.442 1.00 0.00 C ATOM 1123 C ARG A 70 1.267 2.787 -10.325 1.00 0.00 C ATOM 1124 O ARG A 70 1.548 3.979 -10.510 1.00 0.00 O ATOM 1125 CB ARG A 70 1.846 1.260 -12.257 1.00 0.00 C ATOM 1126 CG ARG A 70 2.918 2.220 -12.792 1.00 0.00 C ATOM 1127 CD ARG A 70 2.341 3.275 -13.729 1.00 0.00 C ATOM 1128 NE ARG A 70 1.636 2.683 -14.875 1.00 0.00 N ATOM 1129 CZ ARG A 70 0.682 3.307 -15.588 1.00 0.00 C ATOM 1130 NH1 ARG A 70 0.324 4.557 -15.287 1.00 0.00 N ATOM 1131 NH2 ARG A 70 0.097 2.680 -16.595 1.00 0.00 N ATOM 0 H ARG A 70 0.189 2.850 -13.242 1.00 0.00 H new ATOM 0 HA ARG A 70 0.117 1.121 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.333 0.513 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.405 0.729 -13.101 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.410 2.713 -11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.682 1.649 -13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.654 3.913 -13.174 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.146 3.914 -14.092 1.00 0.00 H new ATOM 0 HE ARG A 70 1.888 1.733 -15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.775 5.044 -14.512 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.400 5.025 -15.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.370 1.725 -16.829 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.627 3.151 -17.138 1.00 0.00 H new ATOM 1145 N ILE A 71 1.415 2.210 -9.167 1.00 0.00 N ATOM 1146 CA ILE A 71 1.900 2.939 -8.022 1.00 0.00 C ATOM 1147 C ILE A 71 3.415 2.860 -7.932 1.00 0.00 C ATOM 1148 O ILE A 71 3.992 1.775 -7.885 1.00 0.00 O ATOM 1149 CB ILE A 71 1.290 2.405 -6.712 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.236 2.272 -6.829 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.659 3.309 -5.558 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -0.938 3.530 -7.296 1.00 0.00 C ATOM 0 H ILE A 71 1.206 1.228 -8.987 1.00 0.00 H new ATOM 0 HA ILE A 71 1.596 3.977 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 71 1.699 1.412 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.466 1.463 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.639 1.984 -5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.222 2.921 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.744 3.346 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.278 4.313 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.011 3.349 -7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.742 4.339 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.566 3.809 -8.282 1.00 0.00 H new ATOM 1164 N ALA A 72 4.064 4.006 -7.919 1.00 0.00 N ATOM 1165 CA ALA A 72 5.495 4.056 -7.811 1.00 0.00 C ATOM 1166 C ALA A 72 5.889 4.268 -6.371 1.00 0.00 C ATOM 1167 O ALA A 72 5.074 4.689 -5.549 1.00 0.00 O ATOM 1168 CB ALA A 72 6.049 5.168 -8.678 1.00 0.00 C ATOM 0 H ALA A 72 3.613 4.918 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 72 5.911 3.110 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.135 5.194 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.777 4.988 -9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.634 6.123 -8.354 1.00 0.00 H new ATOM 1174 N ASP A 73 7.133 3.998 -6.060 1.00 0.00 N ATOM 1175 CA ASP A 73 7.638 4.153 -4.704 1.00 0.00 C ATOM 1176 C ASP A 73 7.692 5.621 -4.320 1.00 0.00 C ATOM 1177 O ASP A 73 7.624 5.984 -3.147 1.00 0.00 O ATOM 1178 CB ASP A 73 9.026 3.521 -4.583 1.00 0.00 C ATOM 1179 CG ASP A 73 9.007 2.041 -4.878 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.471 1.275 -4.058 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.507 1.639 -5.951 1.00 0.00 O ATOM 0 H ASP A 73 7.826 3.666 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 73 6.959 3.643 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.711 4.018 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.411 3.684 -3.576 1.00 0.00 H new ATOM 1186 N ASN A 74 7.777 6.472 -5.323 1.00 0.00 N ATOM 1187 CA ASN A 74 7.859 7.908 -5.114 1.00 0.00 C ATOM 1188 C ASN A 74 6.491 8.530 -5.266 1.00 0.00 C ATOM 1189 O ASN A 74 6.339 9.750 -5.273 1.00 0.00 O ATOM 1190 CB ASN A 74 8.823 8.531 -6.118 1.00 0.00 C ATOM 1191 CG ASN A 74 10.133 7.797 -6.164 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.075 8.129 -5.443 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.199 6.783 -7.006 1.00 0.00 N ATOM 0 H ASN A 74 7.791 6.191 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 74 8.228 8.095 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.369 8.526 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.000 9.574 -5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.057 6.236 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.392 6.546 -7.583 1.00 0.00 H new ATOM 1200 N HIS A 75 5.484 7.689 -5.376 1.00 0.00 N ATOM 1201 CA HIS A 75 4.118 8.171 -5.515 1.00 0.00 C ATOM 1202 C HIS A 75 3.533 8.424 -4.155 1.00 0.00 C ATOM 1203 O HIS A 75 3.796 7.687 -3.215 1.00 0.00 O ATOM 1204 CB HIS A 75 3.244 7.177 -6.288 1.00 0.00 C ATOM 1205 CG HIS A 75 3.162 7.461 -7.755 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.412 6.703 -8.637 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.732 8.433 -8.495 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.533 7.201 -9.851 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.327 8.249 -9.792 1.00 0.00 N ATOM 0 H HIS A 75 5.580 6.674 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 75 4.142 9.100 -6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.638 6.171 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.238 7.188 -5.868 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.386 9.212 -8.133 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.061 6.815 -10.742 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.598 8.831 -10.584 1.00 0.00 H new ATOM 1218 N THR A 76 2.780 9.483 -4.027 1.00 0.00 N ATOM 1219 CA THR A 76 2.152 9.807 -2.751 1.00 0.00 C ATOM 1220 C THR A 76 0.635 9.792 -2.861 1.00 0.00 C ATOM 1221 O THR A 76 0.083 9.982 -3.953 1.00 0.00 O ATOM 1222 CB THR A 76 2.610 11.189 -2.239 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.240 12.198 -3.172 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.107 11.216 -2.053 1.00 0.00 C ATOM 0 H THR A 76 2.580 10.141 -4.780 1.00 0.00 H new ATOM 0 HA THR A 76 2.464 9.041 -2.041 1.00 0.00 H new ATOM 0 HB THR A 76 2.127 11.376 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.532 13.073 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.411 12.198 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.397 10.456 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.596 11.013 -3.006 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.063 9.565 -1.732 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.523 9.535 -1.698 1.00 0.00 C ATOM 1234 C PRO A 77 -2.122 10.859 -2.151 1.00 0.00 C ATOM 1235 O PRO A 77 -3.095 10.895 -2.896 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.853 9.288 -0.218 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.616 8.702 0.362 1.00 0.00 C ATOM 1238 CD PRO A 77 0.521 9.306 -0.400 1.00 0.00 C ATOM 0 HA PRO A 77 -1.930 8.776 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.123 10.216 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.699 8.609 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.538 8.929 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.617 7.616 0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.877 10.223 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.372 8.627 -0.459 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.517 11.957 -1.719 1.00 0.00 N ATOM 1247 CA LYS A 78 -2.008 13.285 -2.060 1.00 0.00 C ATOM 1248 C LYS A 78 -1.847 13.556 -3.555 1.00 0.00 C ATOM 1249 O LYS A 78 -2.702 14.175 -4.186 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.267 14.352 -1.259 1.00 0.00 C ATOM 1251 CG LYS A 78 0.220 14.348 -1.512 1.00 0.00 C ATOM 1252 CD LYS A 78 0.863 15.655 -1.131 1.00 0.00 C ATOM 1253 CE LYS A 78 2.208 15.783 -1.803 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.855 17.094 -1.528 1.00 0.00 N ATOM 0 H LYS A 78 -0.684 11.954 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.068 13.325 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.671 15.333 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.450 14.194 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.681 13.539 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.407 14.146 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.220 16.485 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.981 15.710 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.860 14.980 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.087 15.659 -2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.775 17.135 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.247 17.862 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.996 17.203 -0.503 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.751 13.073 -4.125 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.474 13.279 -5.532 1.00 0.00 C ATOM 1270 C GLU A 79 -1.392 12.439 -6.396 1.00 0.00 C ATOM 1271 O GLU A 79 -1.903 12.902 -7.413 1.00 0.00 O ATOM 1272 CB GLU A 79 0.973 12.947 -5.847 1.00 0.00 C ATOM 1273 CG GLU A 79 1.952 14.071 -5.555 1.00 0.00 C ATOM 1274 CD GLU A 79 1.799 15.243 -6.488 1.00 0.00 C ATOM 1275 OE1 GLU A 79 2.256 15.150 -7.646 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.252 16.275 -6.064 1.00 0.00 O ATOM 0 H GLU A 79 -0.040 12.535 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.654 14.331 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.265 12.068 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.051 12.678 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.811 14.410 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.970 13.687 -5.627 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.615 11.193 -5.992 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.465 10.300 -6.770 1.00 0.00 C ATOM 1285 C LEU A 80 -3.942 10.623 -6.558 1.00 0.00 C ATOM 1286 O LEU A 80 -4.809 10.100 -7.248 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.187 8.820 -6.442 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.718 8.352 -6.540 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.640 6.869 -6.846 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.055 9.144 -7.569 1.00 0.00 C ATOM 0 H LEU A 80 -1.225 10.783 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.223 10.462 -7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.540 8.624 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.786 8.204 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.258 8.531 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.405 6.565 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.134 6.307 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.135 6.667 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.083 8.785 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.409 9.021 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.050 10.199 -7.295 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.226 11.492 -5.600 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.598 11.896 -5.347 1.00 0.00 C ATOM 1304 C GLY A 81 -6.355 10.911 -4.478 1.00 0.00 C ATOM 1305 O GLY A 81 -7.507 10.563 -4.765 1.00 0.00 O ATOM 0 H GLY A 81 -3.532 11.926 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.600 12.874 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.119 12.008 -6.298 1.00 0.00 H new ATOM 1309 N MET A 82 -5.715 10.445 -3.426 1.00 0.00 N ATOM 1310 CA MET A 82 -6.331 9.522 -2.490 1.00 0.00 C ATOM 1311 C MET A 82 -6.721 10.272 -1.227 1.00 0.00 C ATOM 1312 O MET A 82 -6.231 11.374 -0.976 1.00 0.00 O ATOM 1313 CB MET A 82 -5.343 8.414 -2.128 1.00 0.00 C ATOM 1314 CG MET A 82 -4.841 7.609 -3.310 1.00 0.00 C ATOM 1315 SD MET A 82 -3.464 6.530 -2.864 1.00 0.00 S ATOM 1316 CE MET A 82 -3.104 5.774 -4.439 1.00 0.00 C ATOM 0 H MET A 82 -4.753 10.694 -3.194 1.00 0.00 H new ATOM 0 HA MET A 82 -7.216 9.083 -2.950 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.488 8.859 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.820 7.737 -1.419 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.657 7.007 -3.711 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.527 8.288 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.074 5.417 -4.444 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.780 4.935 -4.603 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.238 6.508 -5.234 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.591 9.687 -0.428 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.013 10.309 0.816 1.00 0.00 C ATOM 1328 C GLU A 83 -8.219 9.262 1.910 1.00 0.00 C ATOM 1329 O GLU A 83 -7.795 8.113 1.778 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.295 11.113 0.606 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.445 10.301 0.043 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.763 11.019 0.163 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.940 12.064 -0.503 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.620 10.558 0.942 1.00 0.00 O ATOM 0 H GLU A 83 -8.021 8.781 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.223 10.988 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.601 11.546 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.085 11.943 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.250 10.077 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.504 9.347 0.567 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.883 9.660 2.988 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.101 8.784 4.123 1.00 0.00 C ATOM 1343 C GLU A 84 -10.055 7.635 3.807 1.00 0.00 C ATOM 1344 O GLU A 84 -11.211 7.837 3.432 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.591 9.573 5.336 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.825 10.423 5.076 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.355 11.064 6.334 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -12.123 10.404 7.066 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.996 12.225 6.609 1.00 0.00 O ATOM 0 H GLU A 84 -9.281 10.593 3.096 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.135 8.338 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.809 8.875 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.785 10.220 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.582 11.199 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.603 9.803 4.631 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.517 6.429 3.905 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.233 5.166 3.740 1.00 0.00 C ATOM 1358 C GLU A 85 -10.378 4.810 2.263 1.00 0.00 C ATOM 1359 O GLU A 85 -11.158 3.931 1.882 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.573 5.158 4.488 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.022 3.769 4.912 1.00 0.00 C ATOM 1362 CD GLU A 85 -13.063 3.798 6.006 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -14.268 3.881 5.687 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -12.680 3.721 7.200 1.00 0.00 O ATOM 0 H GLU A 85 -8.527 6.294 4.110 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.633 4.381 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.490 5.790 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.339 5.600 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.426 3.243 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.157 3.202 5.255 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.601 5.503 1.424 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.564 5.230 -0.014 1.00 0.00 C ATOM 1373 C ASP A 86 -9.056 3.815 -0.275 1.00 0.00 C ATOM 1374 O ASP A 86 -8.499 3.165 0.616 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.669 6.231 -0.731 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.175 6.558 -2.115 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.145 5.677 -2.988 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.623 7.704 -2.324 1.00 0.00 O ATOM 0 H ASP A 86 -8.986 6.261 1.720 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.579 5.324 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.607 7.147 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.659 5.828 -0.801 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.222 3.335 -1.484 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.855 1.978 -1.806 1.00 0.00 C ATOM 1385 C VAL A 87 -7.924 1.911 -3.019 1.00 0.00 C ATOM 1386 O VAL A 87 -8.020 2.711 -3.945 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.119 1.123 -2.074 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -10.905 1.672 -3.254 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.759 -0.335 -2.295 1.00 0.00 C ATOM 0 H VAL A 87 -9.610 3.866 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.319 1.578 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.753 1.179 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.788 1.055 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.213 2.696 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.278 1.660 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.666 -0.910 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.094 -0.419 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.258 -0.724 -1.409 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.018 0.953 -2.999 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.100 0.725 -4.093 1.00 0.00 C ATOM 1401 C ILE A 88 -6.381 -0.660 -4.693 1.00 0.00 C ATOM 1402 O ILE A 88 -6.886 -1.553 -3.999 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.621 0.815 -3.614 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.398 2.096 -2.813 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.650 0.754 -4.785 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.440 1.889 -1.317 1.00 0.00 C ATOM 0 H ILE A 88 -6.899 0.308 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.248 1.496 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.428 -0.045 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.432 2.521 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.158 2.826 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.627 0.820 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.783 -0.187 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.844 1.586 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.274 2.841 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.414 1.493 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.662 1.184 -1.025 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.063 -0.852 -5.959 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.355 -2.108 -6.630 1.00 0.00 C ATOM 1420 C GLU A 89 -5.085 -2.921 -6.833 1.00 0.00 C ATOM 1421 O GLU A 89 -4.029 -2.375 -7.161 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.017 -1.836 -7.975 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.501 -3.088 -8.679 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.654 -3.741 -7.962 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.743 -3.133 -7.912 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.488 -4.864 -7.454 1.00 0.00 O ATOM 0 H GLU A 89 -5.602 -0.156 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.035 -2.683 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.862 -1.164 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.308 -1.317 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.805 -2.836 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.678 -3.798 -8.759 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.169 -4.220 -6.598 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.030 -5.096 -6.782 1.00 0.00 C ATOM 1435 C VAL A 90 -4.375 -6.286 -7.683 1.00 0.00 C ATOM 1436 O VAL A 90 -5.376 -6.968 -7.482 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.519 -5.612 -5.421 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.350 -6.569 -5.594 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.131 -4.446 -4.536 1.00 0.00 C ATOM 0 H VAL A 90 -6.017 -4.689 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.247 -4.513 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.327 -6.165 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.014 -6.914 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.665 -7.424 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.531 -6.056 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.772 -4.821 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.342 -3.869 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.000 -3.808 -4.373 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.523 -6.542 -8.659 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.709 -7.651 -9.594 1.00 0.00 C ATOM 1451 C TYR A 91 -2.580 -8.651 -9.437 1.00 0.00 C ATOM 1452 O TYR A 91 -1.642 -8.424 -8.690 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.726 -7.153 -11.038 1.00 0.00 C ATOM 1454 CG TYR A 91 -4.994 -6.457 -11.460 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.186 -5.108 -11.217 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.992 -7.151 -12.125 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.339 -4.469 -11.626 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.148 -6.522 -12.531 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.315 -5.182 -12.280 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.463 -4.548 -12.694 1.00 0.00 O ATOM 0 H TYR A 91 -2.682 -5.991 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.665 -8.123 -9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.890 -6.468 -11.179 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.558 -8.002 -11.701 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.422 -4.547 -10.699 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.861 -8.204 -12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.473 -3.415 -11.433 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.918 -7.079 -13.044 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.050 -5.193 -13.141 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.665 -9.755 -10.141 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.626 -10.763 -10.104 1.00 0.00 C ATOM 1472 C GLN A 92 -0.767 -10.679 -11.370 1.00 0.00 C ATOM 1473 O GLN A 92 -1.289 -10.671 -12.482 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.252 -12.154 -10.012 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.297 -13.221 -9.519 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.095 -13.157 -8.019 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.807 -13.805 -7.269 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.127 -12.371 -7.575 1.00 0.00 N ATOM 0 H GLN A 92 -3.450 -9.981 -10.752 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.000 -10.587 -9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.112 -12.112 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.626 -12.440 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.681 -14.204 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.335 -13.105 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.446 -11.846 -8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.046 -12.291 -6.573 1.00 0.00 H new ATOM 1487 N GLU A 93 0.551 -10.601 -11.206 1.00 0.00 N ATOM 1488 CA GLU A 93 1.453 -10.563 -12.353 1.00 0.00 C ATOM 1489 C GLU A 93 2.413 -11.746 -12.329 1.00 0.00 C ATOM 1490 O GLU A 93 3.478 -11.716 -12.950 1.00 0.00 O ATOM 1491 CB GLU A 93 2.232 -9.248 -12.421 1.00 0.00 C ATOM 1492 CG GLU A 93 3.151 -8.987 -11.243 1.00 0.00 C ATOM 1493 CD GLU A 93 4.033 -7.783 -11.473 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.985 -7.883 -12.278 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.769 -6.726 -10.878 1.00 0.00 O ATOM 0 H GLU A 93 1.015 -10.563 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 93 0.836 -10.631 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.826 -9.242 -13.335 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.521 -8.425 -12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.554 -8.833 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.773 -9.864 -11.066 1.00 0.00 H new ATOM 1502 N GLN A 94 2.044 -12.779 -11.575 1.00 0.00 N ATOM 1503 CA GLN A 94 2.819 -14.026 -11.509 1.00 0.00 C ATOM 1504 C GLN A 94 2.982 -14.667 -12.900 1.00 0.00 C ATOM 1505 O GLN A 94 2.627 -14.078 -13.927 1.00 0.00 O ATOM 1506 CB GLN A 94 2.157 -15.014 -10.547 1.00 0.00 C ATOM 1507 CG GLN A 94 2.103 -14.523 -9.114 1.00 0.00 C ATOM 1508 CD GLN A 94 1.319 -15.449 -8.211 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.412 -16.146 -8.657 1.00 0.00 O ATOM 1510 NE2 GLN A 94 1.646 -15.449 -6.938 1.00 0.00 N ATOM 0 H GLN A 94 1.206 -12.781 -10.994 1.00 0.00 H new ATOM 0 HA GLN A 94 3.813 -13.777 -11.138 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.143 -15.218 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.701 -15.958 -10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.118 -14.421 -8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.652 -13.531 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.406 -14.855 -6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.140 -16.043 -6.281 1.00 0.00 H new ATOM 1519 N THR A 95 3.468 -15.885 -12.941 1.00 0.00 N ATOM 1520 CA THR A 95 3.748 -16.526 -14.196 1.00 0.00 C ATOM 1521 C THR A 95 3.751 -18.038 -14.022 1.00 0.00 C ATOM 1522 O THR A 95 3.804 -18.546 -12.891 1.00 0.00 O ATOM 1523 CB THR A 95 5.110 -16.046 -14.776 1.00 0.00 C ATOM 1524 OG1 THR A 95 5.336 -16.620 -16.067 1.00 0.00 O ATOM 1525 CG2 THR A 95 6.263 -16.410 -13.847 1.00 0.00 C ATOM 0 H THR A 95 3.677 -16.449 -12.117 1.00 0.00 H new ATOM 0 HA THR A 95 2.964 -16.252 -14.902 1.00 0.00 H new ATOM 0 HB THR A 95 5.065 -14.961 -14.867 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.196 -16.307 -16.418 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.202 -16.062 -14.278 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.112 -15.937 -12.877 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.301 -17.492 -13.721 1.00 0.00 H new ATOM 1533 N GLY A 96 3.688 -18.758 -15.124 1.00 0.00 N ATOM 1534 CA GLY A 96 3.678 -20.194 -15.071 1.00 0.00 C ATOM 1535 C GLY A 96 5.059 -20.771 -15.249 1.00 0.00 C ATOM 1536 O GLY A 96 6.063 -20.044 -15.207 1.00 0.00 O ATOM 0 H GLY A 96 3.643 -18.366 -16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.269 -20.519 -14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.019 -20.582 -15.848 1.00 0.00 H new ATOM 1540 N GLY A 97 5.129 -22.064 -15.457 1.00 0.00 N ATOM 1541 CA GLY A 97 6.395 -22.719 -15.629 1.00 0.00 C ATOM 1542 C GLY A 97 6.317 -24.152 -15.190 1.00 0.00 C ATOM 1543 O GLY A 97 5.227 -24.749 -15.319 1.00 0.00 O ATOM 1544 OXT GLY A 97 7.326 -24.685 -14.693 1.00 0.00 O ATOM 0 H GLY A 97 4.319 -22.682 -15.511 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.696 -22.670 -16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.160 -22.199 -15.053 1.00 0.00 H new TER 1548 GLY A 97