USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0142 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 68:sc= 0.657 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 6:sc= 0.323 USER MOD Single : A 17 THR OG1 : rot 76:sc= 0.418 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0457) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 15:sc= -0.381 USER MOD Single : A 27 CYS SG : rot 55:sc= 0.153 USER MOD Single : A 29 CYS SG : rot 105:sc= 0.0118 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.041) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.346) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -114:sc= 0.182 (180deg=-0.0374) USER MOD Single : A 47 MET CE :methyl -151:sc= -3.78 (180deg=-5.26) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.78) USER MOD Single : A 66 LYS NZ :NH3+ -114:sc=-0.00654 (180deg=-0.32) USER MOD Single : A 67 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-6.5!) USER MOD Single : A 70 ASN : amide:sc=-0.000273 X(o=-0.00027,f=-0.23) USER MOD Single : A 71 TYR OH : rot 15:sc= 0.601 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.47) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 61:sc= 0.0723 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0383) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.48) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.412 33.292 -3.553 1.00 0.00 N ATOM 2 CA GLY A 1 -7.970 33.119 -4.924 1.00 0.00 C ATOM 3 C GLY A 1 -6.826 32.133 -5.045 1.00 0.00 C ATOM 4 O GLY A 1 -6.772 31.142 -4.317 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.451 33.253 -3.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.016 32.533 -2.962 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.087 34.214 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.807 32.775 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.659 34.083 -5.326 1.00 0.00 H new ATOM 8 N SER A 2 -5.906 32.405 -5.967 1.00 0.00 N ATOM 9 CA SER A 2 -4.760 31.531 -6.184 1.00 0.00 C ATOM 10 C SER A 2 -3.509 32.345 -6.503 1.00 0.00 C ATOM 11 O SER A 2 -3.578 33.365 -7.188 1.00 0.00 O ATOM 12 CB SER A 2 -5.048 30.550 -7.322 1.00 0.00 C ATOM 13 OG SER A 2 -3.862 29.899 -7.745 1.00 0.00 O ATOM 0 H SER A 2 -5.933 33.224 -6.575 1.00 0.00 H new ATOM 0 HA SER A 2 -4.583 30.970 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.776 29.809 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.494 31.083 -8.162 1.00 0.00 H new ATOM 0 HG SER A 2 -4.072 29.276 -8.472 1.00 0.00 H new ATOM 19 N SER A 3 -2.368 31.886 -5.999 1.00 0.00 N ATOM 20 CA SER A 3 -1.102 32.572 -6.225 1.00 0.00 C ATOM 21 C SER A 3 -0.323 31.915 -7.360 1.00 0.00 C ATOM 22 O SER A 3 0.890 31.729 -7.269 1.00 0.00 O ATOM 23 CB SER A 3 -0.261 32.573 -4.947 1.00 0.00 C ATOM 24 OG SER A 3 0.355 31.314 -4.742 1.00 0.00 O ATOM 0 H SER A 3 -2.295 31.042 -5.431 1.00 0.00 H new ATOM 0 HA SER A 3 -1.321 33.602 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.502 33.349 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.892 32.816 -4.092 1.00 0.00 H new ATOM 0 HG SER A 3 1.031 31.164 -5.435 1.00 0.00 H new ATOM 30 N GLY A 4 -1.030 31.563 -8.429 1.00 0.00 N ATOM 31 CA GLY A 4 -0.389 30.928 -9.567 1.00 0.00 C ATOM 32 C GLY A 4 -0.157 31.893 -10.713 1.00 0.00 C ATOM 33 O GLY A 4 -1.106 32.416 -11.296 1.00 0.00 O ATOM 0 H GLY A 4 -2.035 31.706 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.565 30.505 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.007 30.099 -9.913 1.00 0.00 H new ATOM 37 N SER A 5 1.111 32.130 -11.038 1.00 0.00 N ATOM 38 CA SER A 5 1.465 33.042 -12.118 1.00 0.00 C ATOM 39 C SER A 5 2.596 32.468 -12.966 1.00 0.00 C ATOM 40 O SER A 5 3.400 31.669 -12.487 1.00 0.00 O ATOM 41 CB SER A 5 1.877 34.402 -11.552 1.00 0.00 C ATOM 42 OG SER A 5 3.049 34.293 -10.763 1.00 0.00 O ATOM 0 H SER A 5 1.909 31.703 -10.568 1.00 0.00 H new ATOM 0 HA SER A 5 0.588 33.171 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.049 35.102 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.066 34.809 -10.949 1.00 0.00 H new ATOM 0 HG SER A 5 3.292 35.176 -10.415 1.00 0.00 H new ATOM 48 N SER A 6 2.651 32.881 -14.228 1.00 0.00 N ATOM 49 CA SER A 6 3.681 32.405 -15.143 1.00 0.00 C ATOM 50 C SER A 6 5.055 32.930 -14.736 1.00 0.00 C ATOM 51 O SER A 6 5.213 34.107 -14.417 1.00 0.00 O ATOM 52 CB SER A 6 3.361 32.840 -16.575 1.00 0.00 C ATOM 53 OG SER A 6 4.280 32.280 -17.496 1.00 0.00 O ATOM 0 H SER A 6 1.994 33.544 -14.640 1.00 0.00 H new ATOM 0 HA SER A 6 3.699 31.316 -15.096 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.348 32.532 -16.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.390 33.927 -16.643 1.00 0.00 H new ATOM 0 HG SER A 6 4.053 32.572 -18.403 1.00 0.00 H new ATOM 59 N GLY A 7 6.047 32.044 -14.751 1.00 0.00 N ATOM 60 CA GLY A 7 7.395 32.435 -14.380 1.00 0.00 C ATOM 61 C GLY A 7 7.781 31.948 -12.999 1.00 0.00 C ATOM 62 O GLY A 7 6.931 31.822 -12.117 1.00 0.00 O ATOM 0 H GLY A 7 5.941 31.064 -15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.099 32.038 -15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.477 33.521 -14.415 1.00 0.00 H new ATOM 66 N MET A 8 9.067 31.672 -12.808 1.00 0.00 N ATOM 67 CA MET A 8 9.563 31.195 -11.522 1.00 0.00 C ATOM 68 C MET A 8 9.655 32.338 -10.517 1.00 0.00 C ATOM 69 O MET A 8 9.717 33.507 -10.896 1.00 0.00 O ATOM 70 CB MET A 8 10.936 30.540 -11.693 1.00 0.00 C ATOM 71 CG MET A 8 11.220 29.451 -10.672 1.00 0.00 C ATOM 72 SD MET A 8 10.173 27.999 -10.894 1.00 0.00 S ATOM 73 CE MET A 8 11.347 26.839 -11.590 1.00 0.00 C ATOM 0 H MET A 8 9.784 31.770 -13.527 1.00 0.00 H new ATOM 0 HA MET A 8 8.859 30.455 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.005 30.115 -12.694 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.707 31.307 -11.619 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.266 29.154 -10.745 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.071 29.851 -9.669 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.849 25.889 -11.783 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.743 27.238 -12.524 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.165 26.683 -10.887 1.00 0.00 H new ATOM 83 N SER A 9 9.662 31.992 -9.233 1.00 0.00 N ATOM 84 CA SER A 9 9.741 32.990 -8.173 1.00 0.00 C ATOM 85 C SER A 9 10.416 32.413 -6.933 1.00 0.00 C ATOM 86 O SER A 9 10.737 31.226 -6.883 1.00 0.00 O ATOM 87 CB SER A 9 8.342 33.498 -7.816 1.00 0.00 C ATOM 88 OG SER A 9 7.812 34.304 -8.855 1.00 0.00 O ATOM 0 H SER A 9 9.614 31.028 -8.902 1.00 0.00 H new ATOM 0 HA SER A 9 10.341 33.824 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.680 32.652 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.385 34.073 -6.891 1.00 0.00 H new ATOM 0 HG SER A 9 8.420 34.288 -9.624 1.00 0.00 H new ATOM 94 N VAL A 10 10.628 33.262 -5.932 1.00 0.00 N ATOM 95 CA VAL A 10 11.264 32.838 -4.691 1.00 0.00 C ATOM 96 C VAL A 10 10.359 31.898 -3.904 1.00 0.00 C ATOM 97 O VAL A 10 10.824 30.925 -3.308 1.00 0.00 O ATOM 98 CB VAL A 10 11.627 34.044 -3.805 1.00 0.00 C ATOM 99 CG1 VAL A 10 10.384 34.858 -3.476 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.324 33.583 -2.535 1.00 0.00 C ATOM 0 H VAL A 10 10.368 34.248 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 10 12.178 32.312 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 10 12.316 34.683 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.660 35.706 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.932 35.221 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.669 34.231 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.573 34.449 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.662 32.921 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.237 33.048 -2.795 1.00 0.00 H new ATOM 110 N ASP A 11 9.064 32.192 -3.905 1.00 0.00 N ATOM 111 CA ASP A 11 8.092 31.372 -3.192 1.00 0.00 C ATOM 112 C ASP A 11 7.626 30.206 -4.059 1.00 0.00 C ATOM 113 O ASP A 11 6.874 29.344 -3.603 1.00 0.00 O ATOM 114 CB ASP A 11 6.892 32.219 -2.767 1.00 0.00 C ATOM 115 CG ASP A 11 6.047 31.537 -1.709 1.00 0.00 C ATOM 116 OD1 ASP A 11 6.627 31.020 -0.730 1.00 0.00 O ATOM 117 OD2 ASP A 11 4.807 31.519 -1.858 1.00 0.00 O ATOM 0 H ASP A 11 8.662 32.993 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 11 8.576 30.970 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.244 33.177 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.274 32.432 -3.639 1.00 0.00 H new ATOM 122 N ALA A 12 8.077 30.186 -5.308 1.00 0.00 N ATOM 123 CA ALA A 12 7.707 29.126 -6.237 1.00 0.00 C ATOM 124 C ALA A 12 8.082 27.755 -5.684 1.00 0.00 C ATOM 125 O ALA A 12 7.257 26.843 -5.646 1.00 0.00 O ATOM 126 CB ALA A 12 8.371 29.352 -7.587 1.00 0.00 C ATOM 0 H ALA A 12 8.700 30.892 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 12 6.625 29.153 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.086 28.553 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.050 30.310 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.454 29.355 -7.464 1.00 0.00 H new ATOM 132 N VAL A 13 9.333 27.617 -5.256 1.00 0.00 N ATOM 133 CA VAL A 13 9.818 26.358 -4.704 1.00 0.00 C ATOM 134 C VAL A 13 9.039 25.971 -3.452 1.00 0.00 C ATOM 135 O VAL A 13 8.959 24.794 -3.098 1.00 0.00 O ATOM 136 CB VAL A 13 11.316 26.436 -4.360 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.592 27.608 -3.431 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.789 25.130 -3.738 1.00 0.00 C ATOM 0 H VAL A 13 10.029 28.362 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 13 9.669 25.598 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 13 11.874 26.596 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.656 27.646 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.293 28.536 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.024 27.483 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.850 25.203 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.226 24.937 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.630 24.313 -4.442 1.00 0.00 H new ATOM 148 N GLU A 14 8.466 26.968 -2.786 1.00 0.00 N ATOM 149 CA GLU A 14 7.694 26.731 -1.573 1.00 0.00 C ATOM 150 C GLU A 14 6.427 25.937 -1.880 1.00 0.00 C ATOM 151 O GLU A 14 6.138 24.934 -1.226 1.00 0.00 O ATOM 152 CB GLU A 14 7.327 28.059 -0.908 1.00 0.00 C ATOM 153 CG GLU A 14 6.806 27.906 0.512 1.00 0.00 C ATOM 154 CD GLU A 14 7.911 27.964 1.547 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.597 26.937 1.739 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.091 29.033 2.167 1.00 0.00 O ATOM 0 H GLU A 14 8.522 27.947 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 14 8.311 26.148 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.205 28.705 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.571 28.561 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.081 28.694 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.279 26.956 0.601 1.00 0.00 H new ATOM 163 N ILE A 15 5.678 26.392 -2.878 1.00 0.00 N ATOM 164 CA ILE A 15 4.443 25.724 -3.272 1.00 0.00 C ATOM 165 C ILE A 15 4.701 24.266 -3.638 1.00 0.00 C ATOM 166 O ILE A 15 3.857 23.401 -3.407 1.00 0.00 O ATOM 167 CB ILE A 15 3.778 26.432 -4.466 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.260 26.236 -4.422 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.346 25.908 -5.777 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.543 26.787 -5.634 1.00 0.00 C ATOM 0 H ILE A 15 5.904 27.220 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 15 3.771 25.768 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 15 3.991 27.499 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.042 25.172 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.866 26.717 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.866 26.419 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.420 26.093 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.160 24.837 -5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.472 26.612 -5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.730 27.858 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.909 26.288 -6.531 1.00 0.00 H new ATOM 182 N GLU A 16 5.872 24.003 -4.208 1.00 0.00 N ATOM 183 CA GLU A 16 6.240 22.648 -4.606 1.00 0.00 C ATOM 184 C GLU A 16 6.620 21.809 -3.389 1.00 0.00 C ATOM 185 O GLU A 16 6.260 20.635 -3.293 1.00 0.00 O ATOM 186 CB GLU A 16 7.404 22.683 -5.599 1.00 0.00 C ATOM 187 CG GLU A 16 7.321 23.829 -6.593 1.00 0.00 C ATOM 188 CD GLU A 16 8.027 23.520 -7.900 1.00 0.00 C ATOM 189 OE1 GLU A 16 8.314 22.331 -8.153 1.00 0.00 O ATOM 190 OE2 GLU A 16 8.291 24.466 -8.669 1.00 0.00 O ATOM 0 H GLU A 16 6.582 24.708 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 16 5.376 22.190 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.340 22.760 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.433 21.740 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.274 24.055 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.760 24.722 -6.149 1.00 0.00 H new ATOM 197 N THR A 17 7.351 22.419 -2.461 1.00 0.00 N ATOM 198 CA THR A 17 7.782 21.730 -1.252 1.00 0.00 C ATOM 199 C THR A 17 6.588 21.342 -0.386 1.00 0.00 C ATOM 200 O THR A 17 6.573 20.272 0.225 1.00 0.00 O ATOM 201 CB THR A 17 8.744 22.600 -0.422 1.00 0.00 C ATOM 202 OG1 THR A 17 9.974 22.784 -1.131 1.00 0.00 O ATOM 203 CG2 THR A 17 9.022 21.960 0.930 1.00 0.00 C ATOM 0 H THR A 17 7.657 23.390 -2.524 1.00 0.00 H new ATOM 0 HA THR A 17 8.305 20.828 -1.571 1.00 0.00 H new ATOM 0 HB THR A 17 8.272 23.569 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.842 23.436 -1.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.704 22.592 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.087 21.849 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.475 20.979 0.782 1.00 0.00 H new ATOM 211 N LEU A 18 5.590 22.217 -0.337 1.00 0.00 N ATOM 212 CA LEU A 18 4.391 21.966 0.455 1.00 0.00 C ATOM 213 C LEU A 18 3.629 20.758 -0.080 1.00 0.00 C ATOM 214 O LEU A 18 3.066 19.976 0.687 1.00 0.00 O ATOM 215 CB LEU A 18 3.486 23.198 0.452 1.00 0.00 C ATOM 216 CG LEU A 18 3.875 24.320 1.416 1.00 0.00 C ATOM 217 CD1 LEU A 18 3.076 25.579 1.119 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.666 23.880 2.858 1.00 0.00 C ATOM 0 H LEU A 18 5.587 23.106 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 18 4.699 21.753 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.465 23.606 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.471 22.879 0.688 1.00 0.00 H new ATOM 0 HG LEU A 18 4.932 24.544 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.366 26.367 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.276 25.905 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.012 25.370 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.948 24.690 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.617 23.628 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.283 23.006 3.065 1.00 0.00 H new ATOM 230 N ARG A 19 3.615 20.612 -1.401 1.00 0.00 N ATOM 231 CA ARG A 19 2.922 19.499 -2.039 1.00 0.00 C ATOM 232 C ARG A 19 3.594 18.172 -1.697 1.00 0.00 C ATOM 233 O ARG A 19 2.925 17.154 -1.519 1.00 0.00 O ATOM 234 CB ARG A 19 2.893 19.692 -3.557 1.00 0.00 C ATOM 235 CG ARG A 19 1.999 20.836 -4.008 1.00 0.00 C ATOM 236 CD ARG A 19 1.894 20.897 -5.523 1.00 0.00 C ATOM 237 NE ARG A 19 3.148 21.321 -6.142 1.00 0.00 N ATOM 238 CZ ARG A 19 4.130 20.486 -6.459 1.00 0.00 C ATOM 239 NH1 ARG A 19 4.005 19.188 -6.217 1.00 0.00 N ATOM 240 NH2 ARG A 19 5.241 20.947 -7.019 1.00 0.00 N ATOM 0 H ARG A 19 4.075 21.250 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 19 1.899 19.476 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.908 19.874 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.552 18.769 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.005 20.714 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.395 21.779 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.614 19.916 -5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.099 21.588 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 19 3.276 22.313 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.153 18.829 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.761 18.548 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.342 21.945 -7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.995 20.304 -7.262 1.00 0.00 H new ATOM 254 N LYS A 20 4.919 18.191 -1.610 1.00 0.00 N ATOM 255 CA LYS A 20 5.682 16.992 -1.289 1.00 0.00 C ATOM 256 C LYS A 20 5.330 16.477 0.103 1.00 0.00 C ATOM 257 O LYS A 20 5.057 15.291 0.288 1.00 0.00 O ATOM 258 CB LYS A 20 7.183 17.279 -1.374 1.00 0.00 C ATOM 259 CG LYS A 20 7.775 17.026 -2.750 1.00 0.00 C ATOM 260 CD LYS A 20 7.724 18.274 -3.615 1.00 0.00 C ATOM 261 CE LYS A 20 8.817 18.262 -4.674 1.00 0.00 C ATOM 262 NZ LYS A 20 8.604 19.318 -5.703 1.00 0.00 N ATOM 0 H LYS A 20 5.487 19.025 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 20 5.423 16.223 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.362 18.318 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.704 16.660 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.808 16.695 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.229 16.220 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.749 18.344 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.834 19.158 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.786 18.410 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.845 17.285 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.288 19.192 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.638 19.245 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.738 20.255 -5.272 1.00 0.00 H new ATOM 276 N THR A 21 5.337 17.379 1.080 1.00 0.00 N ATOM 277 CA THR A 21 5.018 17.018 2.456 1.00 0.00 C ATOM 278 C THR A 21 3.644 16.363 2.548 1.00 0.00 C ATOM 279 O THR A 21 3.479 15.334 3.202 1.00 0.00 O ATOM 280 CB THR A 21 5.051 18.248 3.382 1.00 0.00 C ATOM 281 OG1 THR A 21 6.293 18.942 3.231 1.00 0.00 O ATOM 282 CG2 THR A 21 4.867 17.836 4.835 1.00 0.00 C ATOM 0 H THR A 21 5.560 18.365 0.944 1.00 0.00 H new ATOM 0 HA THR A 21 5.779 16.308 2.781 1.00 0.00 H new ATOM 0 HB THR A 21 4.231 18.909 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.305 19.724 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.894 18.721 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.906 17.334 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.669 17.157 5.125 1.00 0.00 H new ATOM 290 N VAL A 22 2.661 16.965 1.887 1.00 0.00 N ATOM 291 CA VAL A 22 1.301 16.439 1.892 1.00 0.00 C ATOM 292 C VAL A 22 1.225 15.105 1.160 1.00 0.00 C ATOM 293 O VAL A 22 0.468 14.215 1.548 1.00 0.00 O ATOM 294 CB VAL A 22 0.315 17.427 1.240 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.117 16.943 1.412 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.490 18.820 1.826 1.00 0.00 C ATOM 0 H VAL A 22 2.781 17.818 1.341 1.00 0.00 H new ATOM 0 HA VAL A 22 1.022 16.294 2.936 1.00 0.00 H new ATOM 0 HB VAL A 22 0.531 17.478 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.800 17.653 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.230 15.967 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.348 16.862 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.215 19.505 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.302 18.789 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.508 19.165 1.645 1.00 0.00 H new ATOM 306 N GLU A 23 2.016 14.971 0.100 1.00 0.00 N ATOM 307 CA GLU A 23 2.038 13.744 -0.687 1.00 0.00 C ATOM 308 C GLU A 23 2.473 12.557 0.168 1.00 0.00 C ATOM 309 O GLU A 23 1.876 11.483 0.108 1.00 0.00 O ATOM 310 CB GLU A 23 2.977 13.896 -1.885 1.00 0.00 C ATOM 311 CG GLU A 23 2.292 14.421 -3.135 1.00 0.00 C ATOM 312 CD GLU A 23 3.124 14.218 -4.386 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.947 15.103 -4.701 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.950 13.174 -5.050 1.00 0.00 O ATOM 0 H GLU A 23 2.650 15.697 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 23 1.027 13.557 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.789 14.571 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.427 12.929 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.332 13.919 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.083 15.484 -3.011 1.00 0.00 H new ATOM 321 N ASP A 24 3.519 12.761 0.963 1.00 0.00 N ATOM 322 CA ASP A 24 4.035 11.709 1.831 1.00 0.00 C ATOM 323 C ASP A 24 3.037 11.377 2.936 1.00 0.00 C ATOM 324 O ASP A 24 2.760 10.208 3.206 1.00 0.00 O ATOM 325 CB ASP A 24 5.370 12.134 2.444 1.00 0.00 C ATOM 326 CG ASP A 24 6.285 10.955 2.713 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.278 10.003 1.906 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.009 10.986 3.731 1.00 0.00 O ATOM 0 H ASP A 24 4.025 13.644 1.024 1.00 0.00 H new ATOM 0 HA ASP A 24 4.189 10.816 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.869 12.832 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.185 12.667 3.377 1.00 0.00 H new ATOM 333 N TYR A 25 2.499 12.413 3.571 1.00 0.00 N ATOM 334 CA TYR A 25 1.534 12.232 4.648 1.00 0.00 C ATOM 335 C TYR A 25 0.467 11.212 4.259 1.00 0.00 C ATOM 336 O TYR A 25 0.343 10.158 4.882 1.00 0.00 O ATOM 337 CB TYR A 25 0.876 13.566 5.002 1.00 0.00 C ATOM 338 CG TYR A 25 0.392 13.643 6.433 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.277 13.902 7.472 1.00 0.00 C ATOM 340 CD2 TYR A 25 -0.948 13.456 6.745 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.841 13.973 8.781 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.394 13.526 8.051 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.495 13.785 9.065 1.00 0.00 C ATOM 344 OH TYR A 25 -0.935 13.854 10.367 1.00 0.00 O ATOM 0 H TYR A 25 2.715 13.387 3.358 1.00 0.00 H new ATOM 0 HA TYR A 25 2.069 11.856 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.589 14.371 4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.032 13.734 4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.324 14.050 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.654 13.252 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.542 14.175 9.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.440 13.379 8.277 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.244 14.270 10.924 1.00 0.00 H new ATOM 354 N PHE A 26 -0.300 11.535 3.223 1.00 0.00 N ATOM 355 CA PHE A 26 -1.357 10.649 2.749 1.00 0.00 C ATOM 356 C PHE A 26 -0.884 9.199 2.733 1.00 0.00 C ATOM 357 O PHE A 26 -1.653 8.282 3.025 1.00 0.00 O ATOM 358 CB PHE A 26 -1.809 11.065 1.347 1.00 0.00 C ATOM 359 CG PHE A 26 -2.537 12.379 1.317 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.532 12.656 2.240 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.225 13.337 0.365 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.203 13.863 2.216 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.893 14.546 0.336 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.884 14.809 1.261 1.00 0.00 C ATOM 0 H PHE A 26 -0.209 12.403 2.696 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.200 10.730 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.937 11.127 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.457 10.290 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.786 11.919 2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.452 13.136 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.976 14.067 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.640 15.285 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.409 15.753 1.238 1.00 0.00 H new ATOM 374 N CYS A 27 0.383 8.999 2.392 1.00 0.00 N ATOM 375 CA CYS A 27 0.959 7.660 2.337 1.00 0.00 C ATOM 376 C CYS A 27 1.081 7.063 3.735 1.00 0.00 C ATOM 377 O CYS A 27 0.777 5.890 3.949 1.00 0.00 O ATOM 378 CB CYS A 27 2.332 7.700 1.663 1.00 0.00 C ATOM 379 SG CYS A 27 2.353 8.571 0.080 1.00 0.00 S ATOM 0 H CYS A 27 1.032 9.747 2.149 1.00 0.00 H new ATOM 0 HA CYS A 27 0.293 7.028 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.042 8.178 2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.678 6.678 1.508 1.00 0.00 H new ATOM 0 HG CYS A 27 1.879 9.771 0.239 1.00 0.00 H new ATOM 385 N PHE A 28 1.531 7.878 4.684 1.00 0.00 N ATOM 386 CA PHE A 28 1.696 7.430 6.060 1.00 0.00 C ATOM 387 C PHE A 28 0.369 6.951 6.641 1.00 0.00 C ATOM 388 O PHE A 28 0.285 5.863 7.212 1.00 0.00 O ATOM 389 CB PHE A 28 2.264 8.560 6.922 1.00 0.00 C ATOM 390 CG PHE A 28 1.896 8.450 8.375 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.049 7.250 9.052 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.398 9.544 9.062 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.712 7.144 10.389 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.059 9.444 10.398 1.00 0.00 C ATOM 395 CZ PHE A 28 1.216 8.243 11.063 1.00 0.00 C ATOM 0 H PHE A 28 1.788 8.852 4.524 1.00 0.00 H new ATOM 0 HA PHE A 28 2.395 6.594 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.350 8.565 6.830 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.907 9.515 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.436 6.388 8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.273 10.486 8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.836 6.204 10.905 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.671 10.305 10.922 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.952 8.164 12.107 1.00 0.00 H new ATOM 405 N CYS A 29 -0.665 7.771 6.490 1.00 0.00 N ATOM 406 CA CYS A 29 -1.990 7.432 6.999 1.00 0.00 C ATOM 407 C CYS A 29 -2.535 6.185 6.309 1.00 0.00 C ATOM 408 O CYS A 29 -3.094 5.300 6.957 1.00 0.00 O ATOM 409 CB CYS A 29 -2.952 8.604 6.796 1.00 0.00 C ATOM 410 SG CYS A 29 -2.486 10.104 7.691 1.00 0.00 S ATOM 0 H CYS A 29 -0.612 8.675 6.020 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.901 7.225 8.065 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.011 8.832 5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.950 8.300 7.112 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.987 10.969 6.858 1.00 0.00 H new ATOM 416 N TYR A 30 -2.370 6.124 4.993 1.00 0.00 N ATOM 417 CA TYR A 30 -2.850 4.989 4.215 1.00 0.00 C ATOM 418 C TYR A 30 -2.151 3.701 4.643 1.00 0.00 C ATOM 419 O TYR A 30 -2.795 2.741 5.061 1.00 0.00 O ATOM 420 CB TYR A 30 -2.622 5.233 2.722 1.00 0.00 C ATOM 421 CG TYR A 30 -3.095 4.097 1.843 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.300 3.452 2.096 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.338 3.669 0.761 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.736 2.414 1.297 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.767 2.632 -0.046 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.967 2.008 0.227 1.00 0.00 C ATOM 427 OH TYR A 30 -4.397 0.974 -0.573 1.00 0.00 O ATOM 0 H TYR A 30 -1.907 6.847 4.442 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.919 4.881 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.138 6.147 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.559 5.398 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.906 3.768 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.398 4.155 0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.674 1.923 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.167 2.312 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.740 0.814 -1.282 1.00 0.00 H new ATOM 437 N GLY A 31 -0.826 3.691 4.535 1.00 0.00 N ATOM 438 CA GLY A 31 -0.060 2.518 4.914 1.00 0.00 C ATOM 439 C GLY A 31 -0.205 2.182 6.385 1.00 0.00 C ATOM 440 O GLY A 31 -0.164 1.012 6.769 1.00 0.00 O ATOM 0 H GLY A 31 -0.269 4.474 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.385 1.667 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.992 2.685 4.685 1.00 0.00 H new ATOM 444 N LYS A 32 -0.375 3.208 7.211 1.00 0.00 N ATOM 445 CA LYS A 32 -0.528 3.016 8.649 1.00 0.00 C ATOM 446 C LYS A 32 -1.820 2.271 8.965 1.00 0.00 C ATOM 447 O LYS A 32 -1.833 1.351 9.781 1.00 0.00 O ATOM 448 CB LYS A 32 -0.516 4.367 9.368 1.00 0.00 C ATOM 449 CG LYS A 32 -1.099 4.315 10.769 1.00 0.00 C ATOM 450 CD LYS A 32 -2.611 4.467 10.750 1.00 0.00 C ATOM 451 CE LYS A 32 -3.121 5.131 12.020 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.758 4.353 13.236 1.00 0.00 N ATOM 0 H LYS A 32 -0.410 4.182 6.910 1.00 0.00 H new ATOM 0 HA LYS A 32 0.311 2.416 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.510 4.730 9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.078 5.089 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.834 3.368 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.660 5.107 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.907 5.059 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.075 3.487 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.707 6.137 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.205 5.235 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.195 4.791 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.101 3.376 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.724 4.347 13.349 1.00 0.00 H new ATOM 466 N ALA A 33 -2.905 2.674 8.311 1.00 0.00 N ATOM 467 CA ALA A 33 -4.201 2.041 8.519 1.00 0.00 C ATOM 468 C ALA A 33 -4.193 0.598 8.029 1.00 0.00 C ATOM 469 O ALA A 33 -4.902 -0.256 8.566 1.00 0.00 O ATOM 470 CB ALA A 33 -5.295 2.833 7.817 1.00 0.00 C ATOM 0 H ALA A 33 -2.912 3.436 7.633 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.404 2.032 9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.257 2.348 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.326 3.846 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.086 2.873 6.748 1.00 0.00 H new ATOM 476 N LEU A 34 -3.389 0.329 7.007 1.00 0.00 N ATOM 477 CA LEU A 34 -3.289 -1.012 6.443 1.00 0.00 C ATOM 478 C LEU A 34 -2.722 -1.992 7.465 1.00 0.00 C ATOM 479 O LEU A 34 -3.101 -3.162 7.495 1.00 0.00 O ATOM 480 CB LEU A 34 -2.409 -0.997 5.191 1.00 0.00 C ATOM 481 CG LEU A 34 -3.131 -0.751 3.866 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.137 -0.374 2.778 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.930 -1.981 3.458 1.00 0.00 C ATOM 0 H LEU A 34 -2.796 1.023 6.551 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.292 -1.340 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.648 -0.227 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.888 -1.952 5.126 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.824 0.080 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.669 -0.203 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.609 0.535 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.419 -1.184 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.437 -1.788 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.257 -2.830 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.669 -2.206 4.227 1.00 0.00 H new ATOM 495 N GLY A 35 -1.812 -1.504 8.303 1.00 0.00 N ATOM 496 CA GLY A 35 -1.209 -2.349 9.317 1.00 0.00 C ATOM 497 C GLY A 35 0.141 -2.891 8.892 1.00 0.00 C ATOM 498 O GLY A 35 0.578 -3.937 9.374 1.00 0.00 O ATOM 0 H GLY A 35 -1.482 -0.539 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.094 -1.779 10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.878 -3.181 9.537 1.00 0.00 H new ATOM 502 N LYS A 36 0.804 -2.180 7.986 1.00 0.00 N ATOM 503 CA LYS A 36 2.112 -2.594 7.495 1.00 0.00 C ATOM 504 C LYS A 36 3.229 -1.942 8.303 1.00 0.00 C ATOM 505 O LYS A 36 2.970 -1.171 9.227 1.00 0.00 O ATOM 506 CB LYS A 36 2.262 -2.234 6.015 1.00 0.00 C ATOM 507 CG LYS A 36 1.078 -2.656 5.164 1.00 0.00 C ATOM 508 CD LYS A 36 1.516 -3.096 3.777 1.00 0.00 C ATOM 509 CE LYS A 36 1.847 -1.905 2.892 1.00 0.00 C ATOM 510 NZ LYS A 36 2.731 -2.286 1.756 1.00 0.00 N ATOM 0 H LYS A 36 0.456 -1.313 7.577 1.00 0.00 H new ATOM 0 HA LYS A 36 2.189 -3.675 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.399 -1.156 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.165 -2.704 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.548 -3.472 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.376 -1.826 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.389 -3.743 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.724 -3.685 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.924 -1.473 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.334 -1.134 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.551 -1.655 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.726 -2.201 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.534 -3.268 1.477 1.00 0.00 H new ATOM 524 N SER A 37 4.471 -2.255 7.948 1.00 0.00 N ATOM 525 CA SER A 37 5.627 -1.701 8.643 1.00 0.00 C ATOM 526 C SER A 37 6.341 -0.671 7.773 1.00 0.00 C ATOM 527 O SER A 37 7.513 -0.360 7.992 1.00 0.00 O ATOM 528 CB SER A 37 6.598 -2.816 9.033 1.00 0.00 C ATOM 529 OG SER A 37 7.334 -2.470 10.194 1.00 0.00 O ATOM 0 H SER A 37 4.703 -2.889 7.183 1.00 0.00 H new ATOM 0 HA SER A 37 5.273 -1.206 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.045 -3.738 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.284 -3.010 8.208 1.00 0.00 H new ATOM 0 HG SER A 37 7.946 -3.200 10.423 1.00 0.00 H new ATOM 535 N THR A 38 5.627 -0.144 6.783 1.00 0.00 N ATOM 536 CA THR A 38 6.191 0.849 5.878 1.00 0.00 C ATOM 537 C THR A 38 5.101 1.728 5.278 1.00 0.00 C ATOM 538 O THR A 38 3.917 1.395 5.338 1.00 0.00 O ATOM 539 CB THR A 38 6.983 0.183 4.737 1.00 0.00 C ATOM 540 OG1 THR A 38 6.141 -0.727 4.021 1.00 0.00 O ATOM 541 CG2 THR A 38 8.195 -0.559 5.281 1.00 0.00 C ATOM 0 H THR A 38 4.656 -0.389 6.588 1.00 0.00 H new ATOM 0 HA THR A 38 6.868 1.466 6.469 1.00 0.00 H new ATOM 0 HB THR A 38 7.329 0.964 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.652 -1.145 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.739 -1.021 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.849 0.143 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.867 -1.331 5.977 1.00 0.00 H new ATOM 549 N VAL A 39 5.506 2.854 4.698 1.00 0.00 N ATOM 550 CA VAL A 39 4.562 3.781 4.085 1.00 0.00 C ATOM 551 C VAL A 39 4.107 3.279 2.719 1.00 0.00 C ATOM 552 O VAL A 39 4.877 2.658 1.986 1.00 0.00 O ATOM 553 CB VAL A 39 5.178 5.183 3.925 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.990 5.998 5.195 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.652 5.080 3.562 1.00 0.00 C ATOM 0 H VAL A 39 6.482 3.146 4.640 1.00 0.00 H new ATOM 0 HA VAL A 39 3.701 3.843 4.751 1.00 0.00 H new ATOM 0 HB VAL A 39 4.662 5.696 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.432 6.986 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.926 6.102 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.477 5.491 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.071 6.080 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.184 4.548 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.758 4.538 2.622 1.00 0.00 H new ATOM 565 N VAL A 40 2.850 3.551 2.384 1.00 0.00 N ATOM 566 CA VAL A 40 2.291 3.129 1.105 1.00 0.00 C ATOM 567 C VAL A 40 1.729 4.317 0.331 1.00 0.00 C ATOM 568 O VAL A 40 1.000 5.151 0.869 1.00 0.00 O ATOM 569 CB VAL A 40 1.177 2.082 1.298 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.622 1.639 -0.048 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.697 0.891 2.088 1.00 0.00 C ATOM 0 H VAL A 40 2.199 4.062 2.981 1.00 0.00 H new ATOM 0 HA VAL A 40 3.106 2.682 0.536 1.00 0.00 H new ATOM 0 HB VAL A 40 0.366 2.539 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.164 0.900 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.210 2.501 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.421 1.199 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.897 0.161 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.526 0.431 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.041 1.226 3.066 1.00 0.00 H new ATOM 581 N PRO A 41 2.076 4.396 -0.961 1.00 0.00 N ATOM 582 CA PRO A 41 1.616 5.478 -1.839 1.00 0.00 C ATOM 583 C PRO A 41 0.124 5.384 -2.142 1.00 0.00 C ATOM 584 O PRO A 41 -0.350 4.376 -2.666 1.00 0.00 O ATOM 585 CB PRO A 41 2.435 5.271 -3.115 1.00 0.00 C ATOM 586 CG PRO A 41 2.782 3.823 -3.113 1.00 0.00 C ATOM 587 CD PRO A 41 2.941 3.437 -1.669 1.00 0.00 C ATOM 0 HA PRO A 41 1.752 6.459 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.860 5.539 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.330 5.892 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.999 3.234 -3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.702 3.641 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.629 2.408 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.978 3.516 -1.344 1.00 0.00 H new ATOM 595 N VAL A 42 -0.609 6.441 -1.809 1.00 0.00 N ATOM 596 CA VAL A 42 -2.048 6.478 -2.048 1.00 0.00 C ATOM 597 C VAL A 42 -2.356 6.527 -3.540 1.00 0.00 C ATOM 598 O VAL A 42 -2.090 7.515 -4.223 1.00 0.00 O ATOM 599 CB VAL A 42 -2.699 7.692 -1.361 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.195 7.725 -1.639 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.428 7.667 0.136 1.00 0.00 C ATOM 0 H VAL A 42 -0.231 7.283 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.463 5.564 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.257 8.599 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.638 8.590 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.364 7.795 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.656 6.814 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.896 8.533 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.841 6.754 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.353 7.696 0.312 1.00 0.00 H new ATOM 611 N PRO A 43 -2.932 5.433 -4.061 1.00 0.00 N ATOM 612 CA PRO A 43 -3.291 5.326 -5.478 1.00 0.00 C ATOM 613 C PRO A 43 -4.456 6.237 -5.852 1.00 0.00 C ATOM 614 O PRO A 43 -5.597 5.788 -5.960 1.00 0.00 O ATOM 615 CB PRO A 43 -3.691 3.856 -5.632 1.00 0.00 C ATOM 616 CG PRO A 43 -4.128 3.437 -4.272 1.00 0.00 C ATOM 617 CD PRO A 43 -3.278 4.217 -3.306 1.00 0.00 C ATOM 0 HA PRO A 43 -2.472 5.630 -6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.494 3.739 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.853 3.253 -5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.186 3.649 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.994 2.364 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.822 4.453 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.389 3.659 -3.013 1.00 0.00 H new ATOM 625 N TYR A 44 -4.160 7.517 -6.049 1.00 0.00 N ATOM 626 CA TYR A 44 -5.183 8.491 -6.408 1.00 0.00 C ATOM 627 C TYR A 44 -6.097 7.943 -7.500 1.00 0.00 C ATOM 628 O TYR A 44 -7.249 7.594 -7.242 1.00 0.00 O ATOM 629 CB TYR A 44 -4.533 9.793 -6.878 1.00 0.00 C ATOM 630 CG TYR A 44 -3.466 10.310 -5.941 1.00 0.00 C ATOM 631 CD1 TYR A 44 -3.796 11.101 -4.847 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.126 10.007 -6.149 1.00 0.00 C ATOM 633 CE1 TYR A 44 -2.824 11.575 -3.989 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.146 10.476 -5.295 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.500 11.260 -4.217 1.00 0.00 C ATOM 636 OH TYR A 44 -0.528 11.730 -3.363 1.00 0.00 O ATOM 0 H TYR A 44 -3.220 7.904 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.785 8.692 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.094 9.635 -7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.305 10.554 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.831 11.349 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.845 9.394 -6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.098 12.189 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.109 10.230 -5.471 1.00 0.00 H new ATOM 0 HH TYR A 44 0.351 11.417 -3.664 1.00 0.00 H new ATOM 646 N GLU A 45 -5.574 7.870 -8.720 1.00 0.00 N ATOM 647 CA GLU A 45 -6.343 7.365 -9.851 1.00 0.00 C ATOM 648 C GLU A 45 -7.354 6.317 -9.396 1.00 0.00 C ATOM 649 O GLU A 45 -8.549 6.429 -9.673 1.00 0.00 O ATOM 650 CB GLU A 45 -5.408 6.765 -10.904 1.00 0.00 C ATOM 651 CG GLU A 45 -6.089 6.489 -12.234 1.00 0.00 C ATOM 652 CD GLU A 45 -6.150 7.716 -13.124 1.00 0.00 C ATOM 653 OE1 GLU A 45 -5.146 8.006 -13.805 1.00 0.00 O ATOM 654 OE2 GLU A 45 -7.205 8.385 -13.137 1.00 0.00 O ATOM 0 H GLU A 45 -4.622 8.154 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.886 8.201 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.573 7.446 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.990 5.835 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.554 5.694 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.101 6.126 -12.052 1.00 0.00 H new ATOM 661 N LYS A 46 -6.868 5.296 -8.699 1.00 0.00 N ATOM 662 CA LYS A 46 -7.727 4.227 -8.204 1.00 0.00 C ATOM 663 C LYS A 46 -8.761 4.770 -7.223 1.00 0.00 C ATOM 664 O LYS A 46 -9.933 4.400 -7.276 1.00 0.00 O ATOM 665 CB LYS A 46 -6.887 3.142 -7.527 1.00 0.00 C ATOM 666 CG LYS A 46 -5.729 2.650 -8.377 1.00 0.00 C ATOM 667 CD LYS A 46 -4.932 1.571 -7.664 1.00 0.00 C ATOM 668 CE LYS A 46 -3.533 1.434 -8.245 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.483 0.425 -9.339 1.00 0.00 N ATOM 0 H LYS A 46 -5.882 5.186 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.252 3.793 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.497 3.531 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.530 2.297 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.110 2.259 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.074 3.487 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.864 1.809 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.455 0.618 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.202 2.400 -8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.838 1.148 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.896 -0.380 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.446 0.093 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.073 0.857 -10.191 1.00 0.00 H new ATOM 683 N MET A 47 -8.319 5.651 -6.331 1.00 0.00 N ATOM 684 CA MET A 47 -9.208 6.246 -5.341 1.00 0.00 C ATOM 685 C MET A 47 -10.256 7.129 -6.012 1.00 0.00 C ATOM 686 O MET A 47 -11.458 6.903 -5.867 1.00 0.00 O ATOM 687 CB MET A 47 -8.405 7.067 -4.331 1.00 0.00 C ATOM 688 CG MET A 47 -7.889 6.250 -3.157 1.00 0.00 C ATOM 689 SD MET A 47 -7.150 7.273 -1.869 1.00 0.00 S ATOM 690 CE MET A 47 -8.614 7.878 -1.034 1.00 0.00 C ATOM 0 H MET A 47 -7.351 5.968 -6.274 1.00 0.00 H new ATOM 0 HA MET A 47 -9.720 5.438 -4.817 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.560 7.529 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.030 7.876 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.711 5.674 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.150 5.534 -3.515 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.406 8.855 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.431 7.967 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.897 7.181 -0.245 1.00 0.00 H new ATOM 700 N LEU A 48 -9.793 8.135 -6.745 1.00 0.00 N ATOM 701 CA LEU A 48 -10.691 9.052 -7.439 1.00 0.00 C ATOM 702 C LEU A 48 -11.839 8.296 -8.098 1.00 0.00 C ATOM 703 O LEU A 48 -12.966 8.789 -8.161 1.00 0.00 O ATOM 704 CB LEU A 48 -9.921 9.852 -8.491 1.00 0.00 C ATOM 705 CG LEU A 48 -8.537 10.353 -8.074 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.975 11.304 -9.120 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.604 11.033 -6.714 1.00 0.00 C ATOM 0 H LEU A 48 -8.802 8.337 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.109 9.739 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.808 9.231 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.525 10.712 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.869 9.495 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.990 11.650 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.890 10.785 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.642 12.159 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.611 11.383 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.287 11.881 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.962 10.322 -5.969 1.00 0.00 H new ATOM 719 N ARG A 49 -11.547 7.095 -8.588 1.00 0.00 N ATOM 720 CA ARG A 49 -12.555 6.271 -9.242 1.00 0.00 C ATOM 721 C ARG A 49 -13.229 5.339 -8.239 1.00 0.00 C ATOM 722 O ARG A 49 -14.393 4.973 -8.402 1.00 0.00 O ATOM 723 CB ARG A 49 -11.922 5.452 -10.369 1.00 0.00 C ATOM 724 CG ARG A 49 -11.547 4.038 -9.957 1.00 0.00 C ATOM 725 CD ARG A 49 -10.331 3.540 -10.723 1.00 0.00 C ATOM 726 NE ARG A 49 -10.699 2.915 -11.990 1.00 0.00 N ATOM 727 CZ ARG A 49 -9.895 2.108 -12.673 1.00 0.00 C ATOM 728 NH1 ARG A 49 -8.684 1.828 -12.213 1.00 0.00 N ATOM 729 NH2 ARG A 49 -10.303 1.577 -13.819 1.00 0.00 N ATOM 0 H ARG A 49 -10.620 6.672 -8.544 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.312 6.933 -9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.617 5.405 -11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.029 5.967 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.340 4.012 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.390 3.370 -10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.656 4.374 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.786 2.822 -10.110 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.625 3.109 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.367 2.233 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.069 1.208 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.235 1.789 -14.176 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.685 0.957 -14.343 1.00 0.00 H new ATOM 743 N ASP A 50 -12.491 4.960 -7.203 1.00 0.00 N ATOM 744 CA ASP A 50 -13.017 4.072 -6.173 1.00 0.00 C ATOM 745 C ASP A 50 -12.674 4.590 -4.780 1.00 0.00 C ATOM 746 O ASP A 50 -11.788 4.059 -4.111 1.00 0.00 O ATOM 747 CB ASP A 50 -12.460 2.658 -6.355 1.00 0.00 C ATOM 748 CG ASP A 50 -12.879 1.723 -5.238 1.00 0.00 C ATOM 749 OD1 ASP A 50 -13.915 1.992 -4.596 1.00 0.00 O ATOM 750 OD2 ASP A 50 -12.170 0.722 -5.005 1.00 0.00 O ATOM 0 H ASP A 50 -11.526 5.254 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.102 4.044 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.802 2.256 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.372 2.702 -6.399 1.00 0.00 H new ATOM 755 N GLN A 51 -13.380 5.632 -4.352 1.00 0.00 N ATOM 756 CA GLN A 51 -13.149 6.224 -3.039 1.00 0.00 C ATOM 757 C GLN A 51 -13.473 5.229 -1.930 1.00 0.00 C ATOM 758 O GLN A 51 -12.725 5.102 -0.959 1.00 0.00 O ATOM 759 CB GLN A 51 -13.994 7.488 -2.871 1.00 0.00 C ATOM 760 CG GLN A 51 -13.756 8.527 -3.954 1.00 0.00 C ATOM 761 CD GLN A 51 -14.027 9.941 -3.476 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.881 10.166 -2.619 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.298 10.903 -4.030 1.00 0.00 N ATOM 0 H GLN A 51 -14.116 6.083 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.094 6.489 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.049 7.212 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.779 7.932 -1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.725 8.456 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.395 8.308 -4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.601 10.671 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.436 11.874 -3.748 1.00 0.00 H new ATOM 772 N SER A 52 -14.592 4.528 -2.078 1.00 0.00 N ATOM 773 CA SER A 52 -15.016 3.547 -1.085 1.00 0.00 C ATOM 774 C SER A 52 -13.825 2.752 -0.562 1.00 0.00 C ATOM 775 O SER A 52 -13.511 2.791 0.626 1.00 0.00 O ATOM 776 CB SER A 52 -16.054 2.598 -1.687 1.00 0.00 C ATOM 777 OG SER A 52 -16.953 2.131 -0.697 1.00 0.00 O ATOM 0 H SER A 52 -15.221 4.621 -2.875 1.00 0.00 H new ATOM 0 HA SER A 52 -15.466 4.083 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.608 3.111 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.550 1.751 -2.153 1.00 0.00 H new ATOM 0 HG SER A 52 -17.607 1.528 -1.108 1.00 0.00 H new ATOM 783 N ALA A 53 -13.164 2.029 -1.461 1.00 0.00 N ATOM 784 CA ALA A 53 -12.004 1.226 -1.093 1.00 0.00 C ATOM 785 C ALA A 53 -11.237 1.865 0.060 1.00 0.00 C ATOM 786 O ALA A 53 -10.719 1.171 0.936 1.00 0.00 O ATOM 787 CB ALA A 53 -11.091 1.033 -2.295 1.00 0.00 C ATOM 0 H ALA A 53 -13.412 1.983 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.360 0.250 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.229 0.432 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.638 0.524 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.751 2.005 -2.653 1.00 0.00 H new ATOM 793 N VAL A 54 -11.167 3.192 0.053 1.00 0.00 N ATOM 794 CA VAL A 54 -10.462 3.925 1.099 1.00 0.00 C ATOM 795 C VAL A 54 -11.004 5.344 1.235 1.00 0.00 C ATOM 796 O VAL A 54 -10.960 6.131 0.290 1.00 0.00 O ATOM 797 CB VAL A 54 -8.949 3.991 0.817 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.199 4.500 2.038 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.428 2.626 0.392 1.00 0.00 C ATOM 0 H VAL A 54 -11.589 3.782 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.627 3.384 2.031 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.779 4.691 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.132 4.540 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.554 5.498 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.372 3.827 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.358 2.690 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.609 1.904 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.944 2.305 -0.513 1.00 0.00 H new ATOM 809 N VAL A 55 -11.515 5.665 2.420 1.00 0.00 N ATOM 810 CA VAL A 55 -12.064 6.990 2.682 1.00 0.00 C ATOM 811 C VAL A 55 -11.049 7.875 3.397 1.00 0.00 C ATOM 812 O VAL A 55 -10.120 7.380 4.036 1.00 0.00 O ATOM 813 CB VAL A 55 -13.346 6.908 3.533 1.00 0.00 C ATOM 814 CG1 VAL A 55 -14.012 8.272 3.627 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.303 5.876 2.955 1.00 0.00 C ATOM 0 H VAL A 55 -11.560 5.025 3.213 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.306 7.429 1.714 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.074 6.593 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.916 8.195 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.325 8.981 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.273 8.619 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.203 5.831 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.571 6.158 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.821 4.898 2.945 1.00 0.00 H new ATOM 825 N VAL A 56 -11.232 9.186 3.286 1.00 0.00 N ATOM 826 CA VAL A 56 -10.333 10.141 3.923 1.00 0.00 C ATOM 827 C VAL A 56 -11.106 11.131 4.787 1.00 0.00 C ATOM 828 O VAL A 56 -11.986 11.840 4.299 1.00 0.00 O ATOM 829 CB VAL A 56 -9.511 10.920 2.879 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.431 11.748 3.560 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.902 9.967 1.862 1.00 0.00 C ATOM 0 H VAL A 56 -11.995 9.612 2.760 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.655 9.566 4.553 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.178 11.601 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.860 12.292 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.894 12.457 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.764 11.089 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.325 10.534 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.248 9.260 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.697 9.423 1.352 1.00 0.00 H new ATOM 841 N GLN A 57 -10.770 11.175 6.072 1.00 0.00 N ATOM 842 CA GLN A 57 -11.433 12.078 7.005 1.00 0.00 C ATOM 843 C GLN A 57 -10.461 13.132 7.526 1.00 0.00 C ATOM 844 O GLN A 57 -9.253 12.905 7.576 1.00 0.00 O ATOM 845 CB GLN A 57 -12.028 11.292 8.174 1.00 0.00 C ATOM 846 CG GLN A 57 -13.246 10.466 7.796 1.00 0.00 C ATOM 847 CD GLN A 57 -13.982 9.924 9.005 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.475 9.967 10.125 1.00 0.00 O ATOM 849 NE2 GLN A 57 -15.187 9.410 8.783 1.00 0.00 N ATOM 0 H GLN A 57 -10.042 10.596 6.491 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.237 12.584 6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.264 10.631 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.303 11.988 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.927 11.079 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.935 9.635 7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.569 9.395 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.730 9.031 9.558 1.00 0.00 H new ATOM 858 N GLY A 58 -10.998 14.286 7.911 1.00 0.00 N ATOM 859 CA GLY A 58 -10.163 15.357 8.424 1.00 0.00 C ATOM 860 C GLY A 58 -9.912 16.439 7.392 1.00 0.00 C ATOM 861 O GLY A 58 -9.016 17.269 7.557 1.00 0.00 O ATOM 0 H GLY A 58 -11.995 14.498 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.639 15.798 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.209 14.945 8.753 1.00 0.00 H new ATOM 865 N LEU A 59 -10.703 16.433 6.326 1.00 0.00 N ATOM 866 CA LEU A 59 -10.562 17.421 5.261 1.00 0.00 C ATOM 867 C LEU A 59 -11.419 18.651 5.544 1.00 0.00 C ATOM 868 O LEU A 59 -12.394 18.600 6.292 1.00 0.00 O ATOM 869 CB LEU A 59 -10.954 16.810 3.915 1.00 0.00 C ATOM 870 CG LEU A 59 -9.898 15.931 3.244 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.361 15.506 1.859 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.568 16.664 3.163 1.00 0.00 C ATOM 0 H LEU A 59 -11.450 15.755 6.175 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.517 17.730 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.856 16.215 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.211 17.620 3.232 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.759 15.035 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.597 14.881 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.290 14.942 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.528 16.390 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.828 16.024 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.691 17.577 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.231 16.918 4.168 1.00 0.00 H new ATOM 884 N PRO A 60 -11.048 19.784 4.929 1.00 0.00 N ATOM 885 CA PRO A 60 -11.770 21.049 5.098 1.00 0.00 C ATOM 886 C PRO A 60 -13.144 21.023 4.435 1.00 0.00 C ATOM 887 O PRO A 60 -13.630 19.967 4.035 1.00 0.00 O ATOM 888 CB PRO A 60 -10.863 22.070 4.407 1.00 0.00 C ATOM 889 CG PRO A 60 -10.090 21.278 3.410 1.00 0.00 C ATOM 890 CD PRO A 60 -9.895 19.918 4.024 1.00 0.00 C ATOM 0 HA PRO A 60 -11.963 21.272 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.446 22.854 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.202 22.560 5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.629 21.206 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.132 21.750 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.885 19.133 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.950 19.853 4.564 1.00 0.00 H new ATOM 898 N GLU A 61 -13.763 22.195 4.323 1.00 0.00 N ATOM 899 CA GLU A 61 -15.082 22.305 3.709 1.00 0.00 C ATOM 900 C GLU A 61 -14.965 22.493 2.199 1.00 0.00 C ATOM 901 O GLU A 61 -13.894 22.811 1.684 1.00 0.00 O ATOM 902 CB GLU A 61 -15.857 23.472 4.322 1.00 0.00 C ATOM 903 CG GLU A 61 -17.366 23.297 4.263 1.00 0.00 C ATOM 904 CD GLU A 61 -18.104 24.301 5.130 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.900 25.517 4.932 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.882 23.870 6.004 1.00 0.00 O ATOM 0 H GLU A 61 -13.373 23.080 4.649 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.623 21.379 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.554 23.592 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.585 24.391 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.700 23.399 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.624 22.287 4.583 1.00 0.00 H new ATOM 913 N GLY A 62 -16.075 22.295 1.496 1.00 0.00 N ATOM 914 CA GLY A 62 -16.077 22.447 0.053 1.00 0.00 C ATOM 915 C GLY A 62 -14.846 21.843 -0.596 1.00 0.00 C ATOM 916 O GLY A 62 -14.399 22.305 -1.645 1.00 0.00 O ATOM 0 H GLY A 62 -16.974 22.032 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.969 21.974 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.133 23.506 -0.198 1.00 0.00 H new ATOM 920 N VAL A 63 -14.296 20.810 0.033 1.00 0.00 N ATOM 921 CA VAL A 63 -13.109 20.142 -0.488 1.00 0.00 C ATOM 922 C VAL A 63 -13.395 18.679 -0.805 1.00 0.00 C ATOM 923 O VAL A 63 -14.271 18.062 -0.199 1.00 0.00 O ATOM 924 CB VAL A 63 -11.938 20.220 0.508 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.090 19.167 1.595 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.610 20.062 -0.216 1.00 0.00 C ATOM 0 H VAL A 63 -14.653 20.417 0.904 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.832 20.662 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.953 21.202 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.253 19.238 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.023 19.332 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.103 18.176 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.794 20.120 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.582 19.095 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.501 20.858 -0.953 1.00 0.00 H new ATOM 936 N ALA A 64 -12.650 18.128 -1.758 1.00 0.00 N ATOM 937 CA ALA A 64 -12.823 16.735 -2.154 1.00 0.00 C ATOM 938 C ALA A 64 -11.474 16.054 -2.362 1.00 0.00 C ATOM 939 O ALA A 64 -10.653 16.507 -3.159 1.00 0.00 O ATOM 940 CB ALA A 64 -13.662 16.647 -3.419 1.00 0.00 C ATOM 0 H ALA A 64 -11.921 18.625 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.344 16.215 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.783 15.602 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.641 17.090 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.164 17.187 -4.224 1.00 0.00 H new ATOM 946 N PHE A 65 -11.252 14.961 -1.638 1.00 0.00 N ATOM 947 CA PHE A 65 -10.002 14.217 -1.741 1.00 0.00 C ATOM 948 C PHE A 65 -9.457 14.266 -3.166 1.00 0.00 C ATOM 949 O PHE A 65 -10.154 13.929 -4.122 1.00 0.00 O ATOM 950 CB PHE A 65 -10.212 12.763 -1.314 1.00 0.00 C ATOM 951 CG PHE A 65 -9.002 11.897 -1.517 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.942 11.946 -0.626 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.924 11.034 -2.598 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.827 11.151 -0.811 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.811 10.237 -2.788 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.763 10.294 -1.892 1.00 0.00 C ATOM 0 H PHE A 65 -11.921 14.571 -0.974 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.275 14.682 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.493 12.739 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.047 12.345 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.988 12.613 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.743 10.983 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.006 11.200 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.762 9.571 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.894 9.669 -2.036 1.00 0.00 H new ATOM 966 N LYS A 66 -8.204 14.688 -3.299 1.00 0.00 N ATOM 967 CA LYS A 66 -7.562 14.782 -4.604 1.00 0.00 C ATOM 968 C LYS A 66 -6.080 15.113 -4.460 1.00 0.00 C ATOM 969 O LYS A 66 -5.622 15.500 -3.385 1.00 0.00 O ATOM 970 CB LYS A 66 -8.252 15.847 -5.460 1.00 0.00 C ATOM 971 CG LYS A 66 -8.075 17.260 -4.932 1.00 0.00 C ATOM 972 CD LYS A 66 -8.187 18.289 -6.044 1.00 0.00 C ATOM 973 CE LYS A 66 -9.629 18.473 -6.491 1.00 0.00 C ATOM 974 NZ LYS A 66 -9.989 17.541 -7.596 1.00 0.00 N ATOM 0 H LYS A 66 -7.613 14.971 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.654 13.814 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.859 15.796 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.317 15.621 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.829 17.462 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.102 17.350 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.787 19.243 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.579 17.976 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.296 18.308 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.779 19.501 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.178 18.085 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.202 16.883 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.839 17.003 -7.333 1.00 0.00 H new ATOM 988 N HIS A 67 -5.335 14.959 -5.550 1.00 0.00 N ATOM 989 CA HIS A 67 -3.904 15.243 -5.544 1.00 0.00 C ATOM 990 C HIS A 67 -3.611 16.536 -4.790 1.00 0.00 C ATOM 991 O HIS A 67 -4.355 17.514 -4.870 1.00 0.00 O ATOM 992 CB HIS A 67 -3.377 15.344 -6.976 1.00 0.00 C ATOM 993 CG HIS A 67 -1.972 14.850 -7.133 1.00 0.00 C ATOM 994 ND1 HIS A 67 -0.887 15.692 -7.257 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.477 13.590 -7.186 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.213 14.972 -7.379 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.117 13.694 -7.339 1.00 0.00 N ATOM 0 H HIS A 67 -5.698 14.639 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.397 14.423 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.030 14.773 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.426 16.384 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.046 12.675 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.214 15.362 -7.492 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.533 12.911 -7.410 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.500 16.544 -4.037 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.083 17.710 -3.253 1.00 0.00 C ATOM 1007 C PRO A 68 -1.612 18.862 -4.134 1.00 0.00 C ATOM 1008 O PRO A 68 -1.360 19.965 -3.648 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.924 17.174 -2.409 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.386 16.026 -3.191 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.566 15.414 -3.895 1.00 0.00 C ATOM 0 HA PRO A 68 -2.903 18.120 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.162 17.938 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.265 16.857 -1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.365 16.360 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.097 15.300 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.286 15.000 -4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.003 14.601 -3.315 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.497 18.600 -5.432 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.055 19.617 -6.381 1.00 0.00 C ATOM 1021 C GLU A 69 -2.242 20.408 -6.920 1.00 0.00 C ATOM 1022 O GLU A 69 -2.076 21.491 -7.482 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.290 18.970 -7.536 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.188 18.465 -8.653 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.517 19.541 -9.670 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.717 20.490 -9.807 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.573 19.435 -10.328 1.00 0.00 O ATOM 0 H GLU A 69 -1.703 17.693 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.391 20.304 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.413 19.695 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.299 18.138 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.700 17.631 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.113 18.081 -8.224 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.440 19.860 -6.748 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.656 20.512 -7.220 1.00 0.00 C ATOM 1036 C ASN A 70 -5.175 21.506 -6.184 1.00 0.00 C ATOM 1037 O ASN A 70 -6.037 22.335 -6.482 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.732 19.471 -7.529 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.535 18.822 -8.885 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.406 19.505 -9.900 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.512 17.493 -8.906 1.00 0.00 N ATOM 0 H ASN A 70 -3.595 18.965 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.416 21.056 -8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.723 18.702 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.713 19.945 -7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.383 16.999 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.623 16.967 -8.039 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.647 21.416 -4.969 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.059 22.305 -3.889 1.00 0.00 C ATOM 1050 C TYR A 71 -4.265 23.608 -3.923 1.00 0.00 C ATOM 1051 O TYR A 71 -3.035 23.596 -3.969 1.00 0.00 O ATOM 1052 CB TYR A 71 -4.873 21.617 -2.536 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.836 20.475 -2.301 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.184 20.599 -2.613 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.395 19.268 -1.767 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.066 19.558 -2.398 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.270 18.222 -1.552 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.605 18.371 -1.868 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.479 17.331 -1.656 1.00 0.00 O ATOM 0 H TYR A 71 -3.933 20.737 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.114 22.540 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.852 21.241 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.996 22.354 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.549 21.526 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.351 19.148 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.111 19.673 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.911 17.291 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.313 17.501 -2.142 1.00 0.00 H new ATOM 1069 N ASP A 72 -4.978 24.728 -3.899 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.342 26.039 -3.925 1.00 0.00 C ATOM 1071 C ASP A 72 -3.352 26.187 -2.774 1.00 0.00 C ATOM 1072 O ASP A 72 -3.600 25.714 -1.664 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.397 27.144 -3.851 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.669 26.779 -4.591 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.602 26.578 -5.822 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.731 26.696 -3.940 1.00 0.00 O ATOM 0 H ASP A 72 -5.997 24.754 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.796 26.131 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.633 27.348 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.987 28.063 -4.270 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.230 26.845 -3.045 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.202 27.054 -2.031 1.00 0.00 C ATOM 1083 C LEU A 73 -1.828 27.283 -0.659 1.00 0.00 C ATOM 1084 O LEU A 73 -1.402 26.696 0.335 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.321 28.247 -2.409 1.00 0.00 C ATOM 1086 CG LEU A 73 0.734 28.653 -1.379 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.409 27.424 -0.793 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.765 29.580 -2.010 1.00 0.00 C ATOM 0 H LEU A 73 -2.009 27.243 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.586 26.156 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.185 28.017 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.966 29.105 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 73 0.237 29.189 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.156 27.733 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.663 26.797 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.893 26.860 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.508 29.859 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.256 29.068 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.269 30.477 -2.381 1.00 0.00 H new ATOM 1100 N ALA A 74 -2.843 28.140 -0.614 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.530 28.443 0.635 1.00 0.00 C ATOM 1102 C ALA A 74 -4.112 27.181 1.263 1.00 0.00 C ATOM 1103 O ALA A 74 -3.945 26.936 2.458 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.628 29.470 0.397 1.00 0.00 C ATOM 0 H ALA A 74 -3.207 28.636 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.801 28.860 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.133 29.687 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.190 30.386 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.348 29.073 -0.318 1.00 0.00 H new ATOM 1110 N THR A 75 -4.794 26.381 0.450 1.00 0.00 N ATOM 1111 CA THR A 75 -5.401 25.145 0.926 1.00 0.00 C ATOM 1112 C THR A 75 -4.339 24.154 1.390 1.00 0.00 C ATOM 1113 O THR A 75 -4.444 23.579 2.475 1.00 0.00 O ATOM 1114 CB THR A 75 -6.261 24.484 -0.167 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.304 25.375 -0.576 1.00 0.00 O ATOM 1116 CG2 THR A 75 -6.868 23.182 0.335 1.00 0.00 C ATOM 0 H THR A 75 -4.940 26.567 -0.542 1.00 0.00 H new ATOM 0 HA THR A 75 -6.039 25.411 1.769 1.00 0.00 H new ATOM 0 HB THR A 75 -5.618 24.262 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.845 24.948 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.471 22.734 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.071 22.494 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.497 23.384 1.202 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.318 23.959 0.565 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.234 23.038 0.891 1.00 0.00 C ATOM 1126 C LEU A 76 -1.775 23.227 2.332 1.00 0.00 C ATOM 1127 O LEU A 76 -1.694 22.270 3.102 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.057 23.244 -0.063 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.138 22.505 -1.399 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.146 23.087 -2.394 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -0.886 21.017 -1.201 1.00 0.00 C ATOM 0 H LEU A 76 -3.217 24.426 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.609 22.021 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.962 24.311 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.144 22.934 0.446 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.142 22.634 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.219 22.548 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.372 24.140 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.865 22.991 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.947 20.507 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.106 20.870 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.636 20.608 -0.524 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.475 24.471 2.694 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.026 24.788 4.045 1.00 0.00 C ATOM 1145 C LYS A 77 -2.002 24.246 5.084 1.00 0.00 C ATOM 1146 O LYS A 77 -1.595 23.635 6.072 1.00 0.00 O ATOM 1147 CB LYS A 77 -0.876 26.302 4.211 1.00 0.00 C ATOM 1148 CG LYS A 77 0.200 26.907 3.326 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.040 28.389 3.090 1.00 0.00 C ATOM 1150 CE LYS A 77 1.224 29.091 2.619 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.189 30.551 2.912 1.00 0.00 N ATOM 0 H LYS A 77 -1.535 25.276 2.070 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.057 24.313 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.830 26.780 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.645 26.524 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.176 26.765 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.222 26.384 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.827 28.517 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.393 28.853 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.091 28.644 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.346 28.938 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.068 30.994 2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.376 30.983 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.098 30.697 3.938 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.290 24.474 4.854 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.323 24.006 5.770 1.00 0.00 C ATOM 1167 C TRP A 78 -4.164 22.517 6.058 1.00 0.00 C ATOM 1168 O TRP A 78 -3.943 22.118 7.202 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.712 24.279 5.188 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.820 24.074 6.176 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.432 25.034 6.931 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.448 22.833 6.514 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.402 24.463 7.720 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.432 23.115 7.482 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.277 21.512 6.094 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.238 22.123 8.035 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.077 20.529 6.643 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.048 20.838 7.604 1.00 0.00 C ATOM 0 H TRP A 78 -3.643 24.980 4.042 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.215 24.552 6.707 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.749 25.304 4.819 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.874 23.626 4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.190 26.086 6.911 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.002 24.963 8.376 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.532 21.263 5.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.986 22.359 8.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -7.952 19.504 6.326 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.659 20.047 8.013 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.275 21.702 5.015 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.141 20.258 5.157 1.00 0.00 C ATOM 1191 C ILE A 79 -3.028 19.903 6.139 1.00 0.00 C ATOM 1192 O ILE A 79 -3.240 19.147 7.087 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.851 19.582 3.804 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.029 19.784 2.847 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.568 18.101 4.001 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.766 19.269 1.449 1.00 0.00 C ATOM 0 H ILE A 79 -4.457 22.017 4.062 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.093 19.890 5.540 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.967 20.044 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.907 19.280 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.267 20.846 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.365 17.638 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.702 17.979 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.434 17.623 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.643 19.445 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.908 19.790 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.558 18.200 1.488 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.843 20.454 5.904 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.696 20.198 6.768 1.00 0.00 C ATOM 1210 C LEU A 80 -0.969 20.673 8.191 1.00 0.00 C ATOM 1211 O LEU A 80 -0.555 20.035 9.158 1.00 0.00 O ATOM 1212 CB LEU A 80 0.549 20.895 6.215 1.00 0.00 C ATOM 1213 CG LEU A 80 1.312 20.141 5.126 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.352 21.043 4.479 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.969 18.894 5.701 1.00 0.00 C ATOM 0 H LEU A 80 -1.651 21.081 5.123 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.523 19.122 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.251 21.865 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.232 21.086 7.043 1.00 0.00 H new ATOM 0 HG LEU A 80 0.601 19.833 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.885 20.488 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.858 21.905 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.060 21.383 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.508 18.370 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.667 19.180 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.204 18.238 6.116 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.668 21.798 8.310 1.00 0.00 N ATOM 1228 CA GLU A 81 -1.997 22.357 9.616 1.00 0.00 C ATOM 1229 C GLU A 81 -2.891 21.405 10.406 1.00 0.00 C ATOM 1230 O GLU A 81 -2.581 21.044 11.540 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.692 23.710 9.455 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.743 24.894 9.525 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.470 26.222 9.606 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.064 26.636 8.588 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.446 26.848 10.687 1.00 0.00 O ATOM 0 H GLU A 81 -2.017 22.339 7.519 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.067 22.497 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.214 23.729 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.449 23.815 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.096 24.785 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.098 24.890 8.646 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.003 21.003 9.797 1.00 0.00 N ATOM 1243 CA ASN A 82 -4.943 20.094 10.443 1.00 0.00 C ATOM 1244 C ASN A 82 -4.744 18.665 9.950 1.00 0.00 C ATOM 1245 O ASN A 82 -5.706 17.919 9.769 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.382 20.542 10.179 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.681 21.906 10.771 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.641 22.071 11.524 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -5.858 22.892 10.433 1.00 0.00 N ATOM 0 H ASN A 82 -4.275 21.293 8.857 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.754 20.118 11.516 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.560 20.569 9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.071 19.808 10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.009 23.831 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.075 22.710 9.806 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.488 18.289 9.733 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.160 16.948 9.262 1.00 0.00 C ATOM 1258 C LYS A 83 -3.183 15.947 10.412 1.00 0.00 C ATOM 1259 O LYS A 83 -3.812 14.893 10.317 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.784 16.943 8.594 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.634 17.144 9.567 1.00 0.00 C ATOM 1262 CD LYS A 83 0.698 17.244 8.843 1.00 0.00 C ATOM 1263 CE LYS A 83 1.842 17.500 9.813 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.026 18.089 9.130 1.00 0.00 N ATOM 0 H LYS A 83 -2.680 18.895 9.876 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.913 16.652 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.646 15.996 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.753 17.730 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.802 18.051 10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.604 16.314 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.885 16.321 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.655 18.049 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.506 18.173 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.128 16.564 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.784 18.249 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.363 17.436 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.760 18.995 8.694 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.495 16.284 11.498 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.440 15.415 12.668 1.00 0.00 C ATOM 1280 C ALA A 84 -3.774 14.710 12.891 1.00 0.00 C ATOM 1281 O ALA A 84 -3.817 13.587 13.392 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.050 16.216 13.902 1.00 0.00 C ATOM 0 H ALA A 84 -1.968 17.152 11.592 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.682 14.653 12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.013 15.555 14.768 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.070 16.668 13.748 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.788 17.000 14.075 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.861 15.378 12.516 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.181 14.800 12.686 1.00 0.00 C ATOM 1290 C GLY A 85 -6.590 13.934 11.511 1.00 0.00 C ATOM 1291 O GLY A 85 -7.237 12.902 11.687 1.00 0.00 O ATOM 0 H GLY A 85 -4.851 16.308 12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.198 14.202 13.597 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.910 15.599 12.816 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.213 14.356 10.309 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.545 13.612 9.100 1.00 0.00 C ATOM 1297 C ILE A 86 -6.349 12.113 9.305 1.00 0.00 C ATOM 1298 O ILE A 86 -5.282 11.670 9.731 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.691 14.071 7.903 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.252 15.367 7.315 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.636 12.982 6.842 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.432 15.916 6.169 1.00 0.00 C ATOM 0 H ILE A 86 -5.678 15.209 10.146 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.595 13.813 8.885 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.676 14.262 8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.270 15.189 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.310 16.118 8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.029 13.322 6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.195 12.081 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.645 12.762 6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.889 16.835 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.420 16.127 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.395 15.182 5.364 1.00 0.00 H new ATOM 1314 N SER A 87 -7.383 11.339 8.997 1.00 0.00 N ATOM 1315 CA SER A 87 -7.326 9.890 9.150 1.00 0.00 C ATOM 1316 C SER A 87 -7.735 9.191 7.856 1.00 0.00 C ATOM 1317 O SER A 87 -8.292 9.812 6.951 1.00 0.00 O ATOM 1318 CB SER A 87 -8.234 9.440 10.295 1.00 0.00 C ATOM 1319 OG SER A 87 -7.632 9.695 11.553 1.00 0.00 O ATOM 0 H SER A 87 -8.271 11.691 8.640 1.00 0.00 H new ATOM 0 HA SER A 87 -6.297 9.614 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.189 9.962 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.446 8.375 10.199 1.00 0.00 H new ATOM 0 HG SER A 87 -7.483 10.658 11.655 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.453 7.895 7.778 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.791 7.109 6.596 1.00 0.00 C ATOM 1327 C PHE A 88 -8.492 5.811 6.986 1.00 0.00 C ATOM 1328 O PHE A 88 -7.946 5.002 7.737 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.529 6.798 5.788 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.216 7.832 4.743 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.816 9.107 5.110 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.321 7.528 3.396 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.527 10.060 4.152 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.033 8.476 2.434 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.636 9.744 2.812 1.00 0.00 C ATOM 0 H PHE A 88 -6.992 7.366 8.518 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.473 7.697 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.682 6.714 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.647 5.828 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.729 9.359 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.632 6.539 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.216 11.050 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.118 8.226 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.411 10.487 2.061 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.703 5.622 6.474 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.477 4.424 6.768 1.00 0.00 C ATOM 1347 C ILE A 89 -10.475 3.463 5.584 1.00 0.00 C ATOM 1348 O ILE A 89 -11.080 3.739 4.546 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.934 4.770 7.131 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.970 5.887 8.176 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.660 3.535 7.642 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.062 7.272 7.577 1.00 0.00 C ATOM 0 H ILE A 89 -10.169 6.284 5.853 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.002 3.944 7.623 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.443 5.121 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.823 5.728 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.073 5.826 8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.688 3.796 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.660 2.767 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.153 3.156 8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.083 8.013 8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.196 7.451 6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.973 7.352 6.984 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.794 2.334 5.746 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.716 1.331 4.691 1.00 0.00 C ATOM 1366 C ILE A 90 -10.946 0.430 4.698 1.00 0.00 C ATOM 1367 O ILE A 90 -11.159 -0.344 5.631 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.455 0.459 4.835 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.447 0.796 3.735 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.823 -1.016 4.792 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.476 1.890 4.118 1.00 0.00 C ATOM 0 H ILE A 90 -9.288 2.091 6.598 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.668 1.871 3.745 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.994 0.669 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.886 -0.103 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.988 1.099 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.921 -1.619 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.507 -1.244 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.305 -1.243 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.792 2.075 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.027 2.803 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.908 1.582 4.996 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.755 0.535 3.649 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.963 -0.272 3.529 1.00 0.00 C ATOM 1385 C LYS A 91 -12.682 -1.565 2.770 1.00 0.00 C ATOM 1386 O LYS A 91 -13.381 -2.562 2.944 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.063 0.521 2.820 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.244 1.928 3.360 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.313 1.977 4.440 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.690 3.410 4.786 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.056 3.498 5.372 1.00 0.00 N ATOM 0 H LYS A 91 -11.595 1.172 2.869 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.299 -0.528 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.831 0.576 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.005 -0.019 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.298 2.287 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.517 2.599 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.198 1.438 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.952 1.468 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.965 3.816 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.640 4.026 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.275 4.490 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.751 3.134 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.097 2.931 6.243 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.654 -1.539 1.928 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.281 -2.709 1.141 1.00 0.00 C ATOM 1407 C ARG A 92 -10.059 -2.415 0.277 1.00 0.00 C ATOM 1408 O ARG A 92 -9.924 -1.339 -0.307 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.450 -3.150 0.258 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.018 -3.743 -1.073 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.874 -2.670 -2.140 1.00 0.00 C ATOM 1412 NE ARG A 92 -13.108 -2.483 -2.898 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.640 -3.416 -3.679 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -13.049 -4.597 -3.804 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -14.766 -3.171 -4.336 1.00 0.00 N ATOM 0 H ARG A 92 -11.065 -0.721 1.773 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.032 -3.516 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.045 -3.887 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.097 -2.293 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.069 -4.264 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.749 -4.484 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.591 -1.728 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.068 -2.942 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.588 -1.586 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.184 -4.790 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.460 -5.312 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.225 -2.265 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.173 -3.889 -4.935 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.145 -3.394 0.191 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.918 -3.264 -0.599 1.00 0.00 C ATOM 1431 C PRO A 93 -8.192 -3.256 -2.100 1.00 0.00 C ATOM 1432 O PRO A 93 -8.936 -4.095 -2.608 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.111 -4.505 -0.210 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.133 -5.498 0.228 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.240 -4.702 0.861 1.00 0.00 C ATOM 0 HA PRO A 93 -7.403 -2.324 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.530 -4.880 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.405 -4.284 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.503 -6.076 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.708 -6.208 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.213 -5.167 0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.105 -4.612 1.939 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.588 -2.304 -2.802 1.00 0.00 N ATOM 1444 CA PHE A 94 -7.768 -2.188 -4.245 1.00 0.00 C ATOM 1445 C PHE A 94 -7.506 -3.522 -4.935 1.00 0.00 C ATOM 1446 O PHE A 94 -6.500 -4.183 -4.674 1.00 0.00 O ATOM 1447 CB PHE A 94 -6.835 -1.115 -4.811 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.232 0.284 -4.436 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -6.913 0.798 -3.189 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -7.924 1.085 -5.330 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.276 2.086 -2.842 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.290 2.373 -4.988 1.00 0.00 C ATOM 1453 CZ PHE A 94 -7.966 2.874 -3.742 1.00 0.00 C ATOM 0 H PHE A 94 -6.970 -1.602 -2.396 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.801 -1.899 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.821 -1.303 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.815 -1.199 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.375 0.186 -2.481 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.180 0.698 -6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.020 2.476 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.829 2.987 -5.694 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.252 3.880 -3.472 1.00 0.00 H new ATOM 1463 N LEU A 95 -8.419 -3.915 -5.817 1.00 0.00 N ATOM 1464 CA LEU A 95 -8.289 -5.171 -6.546 1.00 0.00 C ATOM 1465 C LEU A 95 -7.758 -4.931 -7.956 1.00 0.00 C ATOM 1466 O LEU A 95 -8.342 -4.170 -8.727 1.00 0.00 O ATOM 1467 CB LEU A 95 -9.639 -5.888 -6.613 1.00 0.00 C ATOM 1468 CG LEU A 95 -10.005 -6.742 -5.399 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -11.409 -7.307 -5.548 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -8.994 -7.865 -5.213 1.00 0.00 C ATOM 0 H LEU A 95 -9.258 -3.381 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.577 -5.799 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.419 -5.140 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.646 -6.526 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.982 -6.108 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.652 -7.912 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.124 -6.488 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.459 -7.926 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.270 -8.463 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.985 -8.497 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.002 -7.440 -5.060 1.00 0.00 H new ATOM 1482 N GLU A 96 -6.650 -5.586 -8.285 1.00 0.00 N ATOM 1483 CA GLU A 96 -6.042 -5.443 -9.603 1.00 0.00 C ATOM 1484 C GLU A 96 -5.384 -6.748 -10.043 1.00 0.00 C ATOM 1485 O GLU A 96 -4.895 -7.531 -9.229 1.00 0.00 O ATOM 1486 CB GLU A 96 -5.007 -4.316 -9.592 1.00 0.00 C ATOM 1487 CG GLU A 96 -5.599 -2.948 -9.294 1.00 0.00 C ATOM 1488 CD GLU A 96 -6.142 -2.264 -10.535 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -6.919 -2.904 -11.273 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -5.789 -1.090 -10.765 1.00 0.00 O ATOM 0 H GLU A 96 -6.155 -6.220 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.831 -5.196 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.244 -4.542 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.508 -4.283 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.400 -3.054 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.835 -2.317 -8.841 1.00 0.00 H new ATOM 1497 N PRO A 97 -5.371 -6.988 -11.363 1.00 0.00 N ATOM 1498 CA PRO A 97 -4.776 -8.197 -11.942 1.00 0.00 C ATOM 1499 C PRO A 97 -3.256 -8.208 -11.825 1.00 0.00 C ATOM 1500 O PRO A 97 -2.610 -7.162 -11.891 1.00 0.00 O ATOM 1501 CB PRO A 97 -5.200 -8.131 -13.411 1.00 0.00 C ATOM 1502 CG PRO A 97 -5.420 -6.682 -13.677 1.00 0.00 C ATOM 1503 CD PRO A 97 -5.934 -6.098 -12.392 1.00 0.00 C ATOM 0 HA PRO A 97 -5.106 -9.100 -11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.430 -8.541 -14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.108 -8.708 -13.587 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.493 -6.196 -13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.137 -6.538 -14.485 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.602 -5.068 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.024 -6.088 -12.362 1.00 0.00 H new ATOM 1511 N LYS A 98 -2.690 -9.398 -11.653 1.00 0.00 N ATOM 1512 CA LYS A 98 -1.245 -9.547 -11.529 1.00 0.00 C ATOM 1513 C LYS A 98 -0.584 -9.603 -12.903 1.00 0.00 C ATOM 1514 O LYS A 98 -1.251 -9.817 -13.916 1.00 0.00 O ATOM 1515 CB LYS A 98 -0.907 -10.812 -10.737 1.00 0.00 C ATOM 1516 CG LYS A 98 0.524 -10.850 -10.231 1.00 0.00 C ATOM 1517 CD LYS A 98 0.758 -12.035 -9.310 1.00 0.00 C ATOM 1518 CE LYS A 98 2.127 -11.966 -8.649 1.00 0.00 C ATOM 1519 NZ LYS A 98 3.229 -12.055 -9.647 1.00 0.00 N ATOM 0 H LYS A 98 -3.210 -10.273 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.860 -8.678 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.586 -10.891 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.083 -11.683 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.209 -10.905 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.748 -9.925 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.016 -12.060 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.674 -12.961 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.215 -11.033 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.224 -12.778 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.144 -12.073 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.121 -12.925 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.193 -11.230 -10.279 1.00 0.00 H new ATOM 1533 N LYS A 99 0.730 -9.410 -12.930 1.00 0.00 N ATOM 1534 CA LYS A 99 1.483 -9.441 -14.179 1.00 0.00 C ATOM 1535 C LYS A 99 2.625 -10.451 -14.100 1.00 0.00 C ATOM 1536 O LYS A 99 2.960 -10.942 -13.022 1.00 0.00 O ATOM 1537 CB LYS A 99 2.037 -8.051 -14.499 1.00 0.00 C ATOM 1538 CG LYS A 99 1.053 -7.160 -15.237 1.00 0.00 C ATOM 1539 CD LYS A 99 1.769 -6.107 -16.066 1.00 0.00 C ATOM 1540 CE LYS A 99 2.268 -6.679 -17.384 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.869 -5.628 -18.251 1.00 0.00 N ATOM 0 H LYS A 99 1.296 -9.230 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 99 0.805 -9.747 -14.976 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.330 -7.563 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.939 -8.158 -15.101 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.424 -7.770 -15.886 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.393 -6.673 -14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.093 -5.275 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.610 -5.707 -15.500 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.008 -7.454 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.440 -7.155 -17.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.197 -6.057 -19.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.156 -4.901 -18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.675 -5.191 -17.759 1.00 0.00 H new ATOM 1555 N HIS A 100 3.220 -10.753 -15.250 1.00 0.00 N ATOM 1556 CA HIS A 100 4.327 -11.702 -15.310 1.00 0.00 C ATOM 1557 C HIS A 100 5.635 -10.990 -15.641 1.00 0.00 C ATOM 1558 O HIS A 100 5.673 -10.103 -16.494 1.00 0.00 O ATOM 1559 CB HIS A 100 4.043 -12.782 -16.354 1.00 0.00 C ATOM 1560 CG HIS A 100 4.256 -12.325 -17.764 1.00 0.00 C ATOM 1561 ND1 HIS A 100 4.813 -13.124 -18.739 1.00 0.00 N ATOM 1562 CD2 HIS A 100 3.980 -11.142 -18.362 1.00 0.00 C ATOM 1563 CE1 HIS A 100 4.874 -12.452 -19.875 1.00 0.00 C ATOM 1564 NE2 HIS A 100 4.374 -11.247 -19.673 1.00 0.00 N ATOM 0 H HIS A 100 2.955 -10.355 -16.151 1.00 0.00 H new ATOM 0 HA HIS A 100 4.426 -12.170 -14.331 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.684 -13.641 -16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.013 -13.121 -16.243 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.533 -10.277 -17.895 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.266 -12.825 -20.810 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.293 -10.513 -20.377 1.00 0.00 H new ATOM 1572 N VAL A 101 6.706 -11.384 -14.959 1.00 0.00 N ATOM 1573 CA VAL A 101 8.016 -10.784 -15.181 1.00 0.00 C ATOM 1574 C VAL A 101 8.956 -11.760 -15.880 1.00 0.00 C ATOM 1575 O VAL A 101 9.593 -12.593 -15.236 1.00 0.00 O ATOM 1576 CB VAL A 101 8.657 -10.331 -13.856 1.00 0.00 C ATOM 1577 CG1 VAL A 101 10.036 -9.739 -14.105 1.00 0.00 C ATOM 1578 CG2 VAL A 101 7.758 -9.330 -13.145 1.00 0.00 C ATOM 0 H VAL A 101 6.692 -12.116 -14.249 1.00 0.00 H new ATOM 0 HA VAL A 101 7.862 -9.913 -15.818 1.00 0.00 H new ATOM 0 HB VAL A 101 8.773 -11.202 -13.212 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.473 -9.424 -13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.676 -10.490 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.948 -8.878 -14.768 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.226 -9.020 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.609 -8.458 -13.782 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.795 -9.793 -12.932 1.00 0.00 H new ATOM 1588 N GLY A 102 9.039 -11.650 -17.202 1.00 0.00 N ATOM 1589 CA GLY A 102 9.904 -12.529 -17.967 1.00 0.00 C ATOM 1590 C GLY A 102 10.954 -11.769 -18.754 1.00 0.00 C ATOM 1591 O GLY A 102 10.915 -11.735 -19.983 1.00 0.00 O ATOM 0 H GLY A 102 8.523 -10.968 -17.757 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.396 -13.228 -17.291 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.299 -13.122 -18.653 1.00 0.00 H new ATOM 1595 N GLY A 103 11.895 -11.154 -18.042 1.00 0.00 N ATOM 1596 CA GLY A 103 12.945 -10.397 -18.698 1.00 0.00 C ATOM 1597 C GLY A 103 13.647 -9.443 -17.754 1.00 0.00 C ATOM 1598 O GLY A 103 13.051 -8.959 -16.791 1.00 0.00 O ATOM 0 H GLY A 103 11.948 -11.167 -17.023 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.675 -11.086 -19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.518 -9.834 -19.528 1.00 0.00 H new ATOM 1602 N SER A 104 14.919 -9.170 -18.027 1.00 0.00 N ATOM 1603 CA SER A 104 15.705 -8.269 -17.192 1.00 0.00 C ATOM 1604 C SER A 104 15.929 -6.934 -17.893 1.00 0.00 C ATOM 1605 O SER A 104 15.579 -6.766 -19.060 1.00 0.00 O ATOM 1606 CB SER A 104 17.051 -8.909 -16.844 1.00 0.00 C ATOM 1607 OG SER A 104 16.897 -9.917 -15.860 1.00 0.00 O ATOM 0 H SER A 104 15.427 -9.560 -18.820 1.00 0.00 H new ATOM 0 HA SER A 104 15.148 -8.086 -16.273 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.496 -9.338 -17.742 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.738 -8.144 -16.481 1.00 0.00 H new ATOM 0 HG SER A 104 17.771 -10.312 -15.656 1.00 0.00 H new ATOM 1613 N GLY A 105 16.519 -5.985 -17.172 1.00 0.00 N ATOM 1614 CA GLY A 105 16.780 -4.676 -17.740 1.00 0.00 C ATOM 1615 C GLY A 105 16.966 -3.610 -16.679 1.00 0.00 C ATOM 1616 O GLY A 105 16.025 -2.916 -16.294 1.00 0.00 O ATOM 0 H GLY A 105 16.821 -6.100 -16.204 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.674 -4.725 -18.362 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.953 -4.395 -18.392 1.00 0.00 H new ATOM 1620 N PRO A 106 18.206 -3.468 -16.187 1.00 0.00 N ATOM 1621 CA PRO A 106 18.540 -2.481 -15.156 1.00 0.00 C ATOM 1622 C PRO A 106 18.480 -1.050 -15.681 1.00 0.00 C ATOM 1623 O PRO A 106 18.983 -0.756 -16.765 1.00 0.00 O ATOM 1624 CB PRO A 106 19.975 -2.848 -14.767 1.00 0.00 C ATOM 1625 CG PRO A 106 20.531 -3.532 -15.968 1.00 0.00 C ATOM 1626 CD PRO A 106 19.377 -4.260 -16.600 1.00 0.00 C ATOM 0 HA PRO A 106 17.837 -2.507 -14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 106 20.555 -1.961 -14.513 1.00 0.00 H new ATOM 0 HB3 PRO A 106 19.994 -3.502 -13.895 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.965 -2.812 -16.661 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.325 -4.225 -15.690 1.00 0.00 H new ATOM 0 HD2 PRO A 106 19.473 -4.300 -17.685 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.310 -5.289 -16.248 1.00 0.00 H new ATOM 1634 N SER A 107 17.862 -0.166 -14.905 1.00 0.00 N ATOM 1635 CA SER A 107 17.734 1.233 -15.295 1.00 0.00 C ATOM 1636 C SER A 107 19.101 1.847 -15.577 1.00 0.00 C ATOM 1637 O SER A 107 19.824 2.230 -14.658 1.00 0.00 O ATOM 1638 CB SER A 107 17.023 2.026 -14.196 1.00 0.00 C ATOM 1639 OG SER A 107 16.650 3.314 -14.657 1.00 0.00 O ATOM 0 H SER A 107 17.442 -0.393 -14.003 1.00 0.00 H new ATOM 0 HA SER A 107 17.141 1.277 -16.209 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.137 1.483 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.678 2.122 -13.330 1.00 0.00 H new ATOM 0 HG SER A 107 16.196 3.800 -13.937 1.00 0.00 H new ATOM 1645 N SER A 108 19.449 1.936 -16.857 1.00 0.00 N ATOM 1646 CA SER A 108 20.732 2.499 -17.263 1.00 0.00 C ATOM 1647 C SER A 108 20.598 3.265 -18.575 1.00 0.00 C ATOM 1648 O SER A 108 19.793 2.909 -19.435 1.00 0.00 O ATOM 1649 CB SER A 108 21.776 1.391 -17.410 1.00 0.00 C ATOM 1650 OG SER A 108 23.082 1.930 -17.505 1.00 0.00 O ATOM 0 H SER A 108 18.861 1.626 -17.630 1.00 0.00 H new ATOM 0 HA SER A 108 21.057 3.194 -16.489 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.719 0.717 -16.555 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.559 0.798 -18.298 1.00 0.00 H new ATOM 0 HG SER A 108 23.731 1.201 -17.596 1.00 0.00 H new ATOM 1656 N GLY A 109 21.395 4.320 -18.722 1.00 0.00 N ATOM 1657 CA GLY A 109 21.351 5.121 -19.931 1.00 0.00 C ATOM 1658 C GLY A 109 22.511 6.090 -20.027 1.00 0.00 C ATOM 1659 O GLY A 109 23.614 5.797 -19.565 1.00 0.00 O ATOM 0 H GLY A 109 22.070 4.634 -18.025 1.00 0.00 H new ATOM 0 HA2 GLY A 109 21.359 4.463 -20.800 1.00 0.00 H new ATOM 0 HA3 GLY A 109 20.414 5.677 -19.961 1.00 0.00 H new TER 1663 GLY A 109