USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 859 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.45 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 76:sc= 1.29 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0383 K(o=-0.038,f=-3!) USER MOD Single : A 11 THR OG1 : rot -49:sc= 0.696 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -68:sc= 0.0251 USER MOD Single : A 17 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.934 K(o=-0.93,f=-0.0074) USER MOD Single : A 23 SER OG : rot 73:sc=-0.00273 USER MOD Single : A 24 MET CE :methyl 166:sc= -0.567 (180deg=-1.41) USER MOD Single : A 25 ASN : amide:sc= -0.135 K(o=-0.13,f=-2) USER MOD Single : A 26 GLN : amide:sc= -2! C(o=-2!,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0444) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -2.02 (180deg=-5.64!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -5.44! C(o=-5.4!,f=-12!) USER MOD Single : A 50 THR OG1 : rot -110:sc= 0.633 USER MOD Single : A 54 CYS SG : rot 159:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.82) USER MOD Single : A 56 MET CE :methyl -140:sc= -0.817 (180deg=-3.79!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= -0.212 (180deg=-0.381) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.855 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 150:sc= -0.0718 USER MOD Single : A 98 SER OG : rot 33:sc= 0.549 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.027) USER MOD Single : A 109 THR OG1 : rot 36:sc= 1.13 USER MOD Single : A 111 SER OG : rot 3:sc= 0.721 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.641 -21.723 -14.386 1.00 0.00 N ATOM 2 CA GLY A 1 -31.372 -21.182 -14.838 1.00 0.00 C ATOM 3 C GLY A 1 -30.207 -21.652 -13.990 1.00 0.00 C ATOM 4 O GLY A 1 -29.700 -22.758 -14.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.406 -21.372 -14.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.611 -22.762 -14.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.817 -21.423 -13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.204 -21.475 -15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.417 -20.093 -14.817 1.00 0.00 H new ATOM 8 N SER A 2 -29.779 -20.809 -13.055 1.00 0.00 N ATOM 9 CA SER A 2 -28.662 -21.142 -12.179 1.00 0.00 C ATOM 10 C SER A 2 -27.541 -21.820 -12.961 1.00 0.00 C ATOM 11 O SER A 2 -26.942 -22.788 -12.495 1.00 0.00 O ATOM 12 CB SER A 2 -29.131 -22.055 -11.044 1.00 0.00 C ATOM 13 OG SER A 2 -29.747 -23.225 -11.552 1.00 0.00 O ATOM 0 H SER A 2 -30.189 -19.891 -12.885 1.00 0.00 H new ATOM 0 HA SER A 2 -28.277 -20.215 -11.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.281 -22.330 -10.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.834 -21.517 -10.407 1.00 0.00 H new ATOM 0 HG SER A 2 -29.568 -23.298 -12.513 1.00 0.00 H new ATOM 19 N SER A 3 -27.264 -21.302 -14.154 1.00 0.00 N ATOM 20 CA SER A 3 -26.218 -21.859 -15.004 1.00 0.00 C ATOM 21 C SER A 3 -24.869 -21.832 -14.293 1.00 0.00 C ATOM 22 O SER A 3 -24.608 -20.960 -13.465 1.00 0.00 O ATOM 23 CB SER A 3 -26.131 -21.079 -16.318 1.00 0.00 C ATOM 24 OG SER A 3 -27.388 -21.039 -16.971 1.00 0.00 O ATOM 0 H SER A 3 -27.749 -20.498 -14.553 1.00 0.00 H new ATOM 0 HA SER A 3 -26.474 -22.896 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.788 -20.064 -16.120 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.393 -21.543 -16.972 1.00 0.00 H new ATOM 0 HG SER A 3 -27.307 -20.534 -17.807 1.00 0.00 H new ATOM 30 N GLY A 4 -24.013 -22.795 -14.623 1.00 0.00 N ATOM 31 CA GLY A 4 -22.701 -22.864 -14.008 1.00 0.00 C ATOM 32 C GLY A 4 -21.608 -22.325 -14.910 1.00 0.00 C ATOM 33 O GLY A 4 -21.839 -22.072 -16.092 1.00 0.00 O ATOM 0 H GLY A 4 -24.205 -23.528 -15.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.710 -22.299 -13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.478 -23.899 -13.751 1.00 0.00 H new ATOM 37 N SER A 5 -20.415 -22.148 -14.351 1.00 0.00 N ATOM 38 CA SER A 5 -19.284 -21.631 -15.112 1.00 0.00 C ATOM 39 C SER A 5 -19.723 -20.496 -16.034 1.00 0.00 C ATOM 40 O SER A 5 -19.292 -20.415 -17.184 1.00 0.00 O ATOM 41 CB SER A 5 -18.640 -22.749 -15.933 1.00 0.00 C ATOM 42 OG SER A 5 -18.259 -23.835 -15.105 1.00 0.00 O ATOM 0 H SER A 5 -20.207 -22.355 -13.374 1.00 0.00 H new ATOM 0 HA SER A 5 -18.551 -21.240 -14.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.340 -23.095 -16.694 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.766 -22.363 -16.457 1.00 0.00 H new ATOM 0 HG SER A 5 -17.851 -24.537 -15.654 1.00 0.00 H new ATOM 48 N SER A 6 -20.582 -19.623 -15.519 1.00 0.00 N ATOM 49 CA SER A 6 -21.083 -18.495 -16.295 1.00 0.00 C ATOM 50 C SER A 6 -21.122 -17.227 -15.448 1.00 0.00 C ATOM 51 O SER A 6 -21.206 -17.288 -14.222 1.00 0.00 O ATOM 52 CB SER A 6 -22.480 -18.803 -16.839 1.00 0.00 C ATOM 53 OG SER A 6 -22.481 -20.002 -17.593 1.00 0.00 O ATOM 0 H SER A 6 -20.946 -19.675 -14.567 1.00 0.00 H new ATOM 0 HA SER A 6 -20.404 -18.331 -17.131 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.185 -18.889 -16.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.821 -17.977 -17.463 1.00 0.00 H new ATOM 0 HG SER A 6 -22.445 -20.770 -16.986 1.00 0.00 H new ATOM 59 N GLY A 7 -21.062 -16.076 -16.112 1.00 0.00 N ATOM 60 CA GLY A 7 -21.092 -14.809 -15.405 1.00 0.00 C ATOM 61 C GLY A 7 -19.704 -14.286 -15.095 1.00 0.00 C ATOM 62 O GLY A 7 -19.264 -13.293 -15.673 1.00 0.00 O ATOM 0 H GLY A 7 -20.993 -15.999 -17.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.628 -14.074 -16.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.648 -14.928 -14.475 1.00 0.00 H new ATOM 66 N MET A 8 -19.012 -14.955 -14.178 1.00 0.00 N ATOM 67 CA MET A 8 -17.666 -14.550 -13.791 1.00 0.00 C ATOM 68 C MET A 8 -16.704 -14.665 -14.969 1.00 0.00 C ATOM 69 O MET A 8 -16.085 -15.707 -15.178 1.00 0.00 O ATOM 70 CB MET A 8 -17.167 -15.408 -12.626 1.00 0.00 C ATOM 71 CG MET A 8 -18.002 -15.262 -11.363 1.00 0.00 C ATOM 72 SD MET A 8 -17.766 -13.666 -10.556 1.00 0.00 S ATOM 73 CE MET A 8 -19.338 -12.879 -10.899 1.00 0.00 C ATOM 0 H MET A 8 -19.361 -15.780 -13.690 1.00 0.00 H new ATOM 0 HA MET A 8 -17.704 -13.507 -13.475 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.164 -16.454 -12.931 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.135 -15.138 -12.403 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.056 -15.387 -11.612 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.743 -16.059 -10.666 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.348 -11.880 -10.463 1.00 0.00 H new ATOM 0 HE2 MET A 8 -19.481 -12.806 -11.977 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.144 -13.472 -10.466 1.00 0.00 H new ATOM 83 N ASN A 9 -16.585 -13.586 -15.737 1.00 0.00 N ATOM 84 CA ASN A 9 -15.699 -13.567 -16.896 1.00 0.00 C ATOM 85 C ASN A 9 -14.497 -12.661 -16.646 1.00 0.00 C ATOM 86 O ASN A 9 -14.645 -11.452 -16.469 1.00 0.00 O ATOM 87 CB ASN A 9 -16.459 -13.095 -18.137 1.00 0.00 C ATOM 88 CG ASN A 9 -17.445 -14.131 -18.641 1.00 0.00 C ATOM 89 OD1 ASN A 9 -18.100 -14.815 -17.854 1.00 0.00 O ATOM 90 ND2 ASN A 9 -17.554 -14.252 -19.959 1.00 0.00 N ATOM 0 H ASN A 9 -17.090 -12.714 -15.578 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.338 -14.582 -17.064 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.992 -12.173 -17.904 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.747 -12.860 -18.928 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.201 -14.933 -20.357 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.991 -13.664 -20.573 1.00 0.00 H new ATOM 97 N ARG A 10 -13.308 -13.255 -16.635 1.00 0.00 N ATOM 98 CA ARG A 10 -12.081 -12.502 -16.407 1.00 0.00 C ATOM 99 C ARG A 10 -12.251 -11.522 -15.250 1.00 0.00 C ATOM 100 O ARG A 10 -11.994 -10.326 -15.392 1.00 0.00 O ATOM 101 CB ARG A 10 -11.677 -11.747 -17.674 1.00 0.00 C ATOM 102 CG ARG A 10 -11.171 -12.651 -18.787 1.00 0.00 C ATOM 103 CD ARG A 10 -10.870 -11.862 -20.051 1.00 0.00 C ATOM 104 NE ARG A 10 -12.059 -11.197 -20.578 1.00 0.00 N ATOM 105 CZ ARG A 10 -12.481 -10.008 -20.163 1.00 0.00 C ATOM 106 NH1 ARG A 10 -11.813 -9.356 -19.221 1.00 0.00 N ATOM 107 NH2 ARG A 10 -13.572 -9.468 -20.690 1.00 0.00 N ATOM 0 H ARG A 10 -13.169 -14.255 -16.781 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.294 -13.210 -16.148 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.534 -11.181 -18.039 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.901 -11.024 -17.424 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.270 -13.168 -18.456 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.917 -13.416 -19.003 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.102 -11.118 -19.839 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.464 -12.532 -20.809 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.595 -11.672 -21.305 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.973 -9.768 -18.814 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.139 -8.443 -18.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.088 -9.966 -21.415 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.895 -8.555 -20.370 1.00 0.00 H new ATOM 121 N THR A 11 -12.687 -12.036 -14.104 1.00 0.00 N ATOM 122 CA THR A 11 -12.894 -11.207 -12.923 1.00 0.00 C ATOM 123 C THR A 11 -11.672 -11.234 -12.012 1.00 0.00 C ATOM 124 O THR A 11 -11.795 -11.141 -10.791 1.00 0.00 O ATOM 125 CB THR A 11 -14.127 -11.666 -12.124 1.00 0.00 C ATOM 126 OG1 THR A 11 -14.421 -10.719 -11.090 1.00 0.00 O ATOM 127 CG2 THR A 11 -13.895 -13.038 -11.510 1.00 0.00 C ATOM 0 H THR A 11 -12.904 -13.023 -13.969 1.00 0.00 H new ATOM 0 HA THR A 11 -13.058 -10.189 -13.276 1.00 0.00 H new ATOM 0 HB THR A 11 -14.972 -11.731 -12.809 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.602 -10.512 -10.593 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.780 -13.341 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.700 -13.762 -12.301 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.038 -12.996 -10.838 1.00 0.00 H new ATOM 135 N ALA A 12 -10.494 -11.361 -12.613 1.00 0.00 N ATOM 136 CA ALA A 12 -9.249 -11.398 -11.854 1.00 0.00 C ATOM 137 C ALA A 12 -8.363 -10.205 -12.195 1.00 0.00 C ATOM 138 O ALA A 12 -7.972 -10.019 -13.347 1.00 0.00 O ATOM 139 CB ALA A 12 -8.508 -12.700 -12.118 1.00 0.00 C ATOM 0 H ALA A 12 -10.375 -11.440 -13.623 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.497 -11.342 -10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.581 -12.714 -11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.133 -13.541 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.279 -12.779 -13.181 1.00 0.00 H new ATOM 145 N MET A 13 -8.052 -9.398 -11.186 1.00 0.00 N ATOM 146 CA MET A 13 -7.211 -8.222 -11.380 1.00 0.00 C ATOM 147 C MET A 13 -6.023 -8.239 -10.424 1.00 0.00 C ATOM 148 O MET A 13 -6.102 -8.801 -9.331 1.00 0.00 O ATOM 149 CB MET A 13 -8.028 -6.945 -11.174 1.00 0.00 C ATOM 150 CG MET A 13 -7.358 -5.698 -11.729 1.00 0.00 C ATOM 151 SD MET A 13 -8.000 -4.181 -10.998 1.00 0.00 S ATOM 152 CE MET A 13 -9.353 -3.814 -12.112 1.00 0.00 C ATOM 0 H MET A 13 -8.369 -9.536 -10.227 1.00 0.00 H new ATOM 0 HA MET A 13 -6.832 -8.242 -12.402 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.002 -7.066 -11.649 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.208 -6.807 -10.108 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.284 -5.757 -11.550 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.500 -5.664 -12.809 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.851 -2.899 -11.791 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.966 -3.681 -13.122 1.00 0.00 H new ATOM 0 HE3 MET A 13 -10.066 -4.638 -12.102 1.00 0.00 H new ATOM 162 N ARG A 14 -4.923 -7.622 -10.843 1.00 0.00 N ATOM 163 CA ARG A 14 -3.718 -7.569 -10.024 1.00 0.00 C ATOM 164 C ARG A 14 -3.012 -6.225 -10.183 1.00 0.00 C ATOM 165 O ARG A 14 -3.036 -5.623 -11.255 1.00 0.00 O ATOM 166 CB ARG A 14 -2.766 -8.705 -10.404 1.00 0.00 C ATOM 167 CG ARG A 14 -2.114 -8.523 -11.765 1.00 0.00 C ATOM 168 CD ARG A 14 -0.768 -9.227 -11.835 1.00 0.00 C ATOM 169 NE ARG A 14 -0.340 -9.454 -13.213 1.00 0.00 N ATOM 170 CZ ARG A 14 0.108 -8.491 -14.011 1.00 0.00 C ATOM 171 NH1 ARG A 14 0.187 -7.243 -13.570 1.00 0.00 N ATOM 172 NH2 ARG A 14 0.479 -8.776 -15.253 1.00 0.00 N ATOM 0 H ARG A 14 -4.841 -7.152 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.013 -7.685 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.988 -8.785 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.316 -9.646 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.772 -8.915 -12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.981 -7.460 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.019 -8.629 -11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.831 -10.182 -11.313 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.388 -10.403 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.097 -7.020 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.531 -6.506 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.420 -9.735 -15.595 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.823 -8.036 -15.865 1.00 0.00 H new ATOM 186 N ALA A 15 -2.384 -5.762 -9.107 1.00 0.00 N ATOM 187 CA ALA A 15 -1.670 -4.491 -9.127 1.00 0.00 C ATOM 188 C ALA A 15 -0.221 -4.682 -9.562 1.00 0.00 C ATOM 189 O ALA A 15 0.273 -5.807 -9.631 1.00 0.00 O ATOM 190 CB ALA A 15 -1.730 -3.831 -7.757 1.00 0.00 C ATOM 0 H ALA A 15 -2.355 -6.248 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.157 -3.840 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.193 -2.883 -7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.770 -3.651 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.270 -4.486 -7.017 1.00 0.00 H new ATOM 196 N SER A 16 0.455 -3.576 -9.854 1.00 0.00 N ATOM 197 CA SER A 16 1.847 -3.622 -10.287 1.00 0.00 C ATOM 198 C SER A 16 2.615 -2.406 -9.778 1.00 0.00 C ATOM 199 O SER A 16 2.064 -1.564 -9.069 1.00 0.00 O ATOM 200 CB SER A 16 1.926 -3.688 -11.813 1.00 0.00 C ATOM 201 OG SER A 16 1.314 -2.555 -12.405 1.00 0.00 O ATOM 0 H SER A 16 0.062 -2.637 -9.799 1.00 0.00 H new ATOM 0 HA SER A 16 2.303 -4.519 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.969 -3.746 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.437 -4.596 -12.167 1.00 0.00 H new ATOM 0 HG SER A 16 0.347 -2.587 -12.250 1.00 0.00 H new ATOM 207 N GLN A 17 3.889 -2.323 -10.145 1.00 0.00 N ATOM 208 CA GLN A 17 4.734 -1.210 -9.726 1.00 0.00 C ATOM 209 C GLN A 17 4.123 0.124 -10.143 1.00 0.00 C ATOM 210 O GLN A 17 3.949 1.023 -9.320 1.00 0.00 O ATOM 211 CB GLN A 17 6.135 -1.353 -10.322 1.00 0.00 C ATOM 212 CG GLN A 17 7.129 -0.333 -9.791 1.00 0.00 C ATOM 213 CD GLN A 17 7.294 -0.409 -8.286 1.00 0.00 C ATOM 214 OE1 GLN A 17 8.153 -1.131 -7.779 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.470 0.338 -7.561 1.00 0.00 N ATOM 0 H GLN A 17 4.359 -3.012 -10.731 1.00 0.00 H new ATOM 0 HA GLN A 17 4.807 -1.231 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.509 -2.355 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.071 -1.256 -11.406 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.096 -0.492 -10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.799 0.668 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.772 0.922 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.535 0.328 -6.543 1.00 0.00 H new ATOM 224 N LYS A 18 3.801 0.246 -11.426 1.00 0.00 N ATOM 225 CA LYS A 18 3.209 1.469 -11.953 1.00 0.00 C ATOM 226 C LYS A 18 1.917 1.810 -11.218 1.00 0.00 C ATOM 227 O LYS A 18 1.825 2.840 -10.550 1.00 0.00 O ATOM 228 CB LYS A 18 2.932 1.321 -13.451 1.00 0.00 C ATOM 229 CG LYS A 18 2.908 2.643 -14.199 1.00 0.00 C ATOM 230 CD LYS A 18 4.286 3.015 -14.719 1.00 0.00 C ATOM 231 CE LYS A 18 4.263 4.342 -15.461 1.00 0.00 C ATOM 232 NZ LYS A 18 5.609 4.976 -15.507 1.00 0.00 N ATOM 0 H LYS A 18 3.940 -0.488 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 18 3.919 2.282 -11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.694 0.678 -13.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.974 0.819 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.209 2.578 -15.033 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.543 3.429 -13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.986 3.075 -13.886 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.649 2.231 -15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.902 4.184 -16.477 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.560 5.018 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.550 5.878 -16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.944 5.151 -14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.275 4.343 -15.994 1.00 0.00 H new ATOM 246 N ASP A 19 0.922 0.938 -11.344 1.00 0.00 N ATOM 247 CA ASP A 19 -0.364 1.146 -10.689 1.00 0.00 C ATOM 248 C ASP A 19 -0.172 1.673 -9.270 1.00 0.00 C ATOM 249 O ASP A 19 -0.812 2.644 -8.866 1.00 0.00 O ATOM 250 CB ASP A 19 -1.161 -0.159 -10.658 1.00 0.00 C ATOM 251 CG ASP A 19 -1.913 -0.408 -11.950 1.00 0.00 C ATOM 252 OD1 ASP A 19 -2.797 0.406 -12.288 1.00 0.00 O ATOM 253 OD2 ASP A 19 -1.619 -1.419 -12.623 1.00 0.00 O ATOM 0 H ASP A 19 0.982 0.081 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.920 1.889 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.483 -0.991 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.868 -0.130 -9.829 1.00 0.00 H new ATOM 258 N PHE A 20 0.712 1.026 -8.518 1.00 0.00 N ATOM 259 CA PHE A 20 0.987 1.428 -7.144 1.00 0.00 C ATOM 260 C PHE A 20 1.476 2.872 -7.087 1.00 0.00 C ATOM 261 O PHE A 20 0.841 3.730 -6.476 1.00 0.00 O ATOM 262 CB PHE A 20 2.029 0.500 -6.517 1.00 0.00 C ATOM 263 CG PHE A 20 2.297 0.791 -5.068 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.228 1.749 -4.701 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.618 0.107 -4.073 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.477 2.020 -3.369 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.863 0.374 -2.739 1.00 0.00 C ATOM 268 CZ PHE A 20 2.794 1.331 -2.387 1.00 0.00 C ATOM 0 H PHE A 20 1.250 0.221 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 20 0.058 1.355 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.691 -0.532 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.962 0.585 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.766 2.291 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.889 -0.643 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.205 2.770 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.327 -0.166 -1.973 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.987 1.540 -1.345 1.00 0.00 H new ATOM 278 N GLU A 21 2.612 3.132 -7.729 1.00 0.00 N ATOM 279 CA GLU A 21 3.187 4.471 -7.750 1.00 0.00 C ATOM 280 C GLU A 21 2.122 5.516 -8.071 1.00 0.00 C ATOM 281 O GLU A 21 2.206 6.659 -7.624 1.00 0.00 O ATOM 282 CB GLU A 21 4.318 4.548 -8.778 1.00 0.00 C ATOM 283 CG GLU A 21 5.665 4.102 -8.235 1.00 0.00 C ATOM 284 CD GLU A 21 6.454 5.243 -7.622 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.338 6.380 -8.123 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.188 4.998 -6.641 1.00 0.00 O ATOM 0 H GLU A 21 3.151 2.433 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 21 3.590 4.681 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.059 3.929 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.402 5.574 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.511 3.327 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.247 3.654 -9.041 1.00 0.00 H new ATOM 293 N ASN A 22 1.122 5.114 -8.848 1.00 0.00 N ATOM 294 CA ASN A 22 0.041 6.015 -9.230 1.00 0.00 C ATOM 295 C ASN A 22 -0.958 6.181 -8.089 1.00 0.00 C ATOM 296 O ASN A 22 -1.367 7.296 -7.766 1.00 0.00 O ATOM 297 CB ASN A 22 -0.674 5.488 -10.476 1.00 0.00 C ATOM 298 CG ASN A 22 0.187 5.583 -11.720 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.641 6.665 -12.094 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.416 4.447 -12.369 1.00 0.00 N ATOM 0 H ASN A 22 1.038 4.170 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 22 0.476 6.989 -9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.961 4.449 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.594 6.053 -10.630 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.988 4.448 -13.213 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.020 3.573 -12.023 1.00 0.00 H new ATOM 307 N SER A 23 -1.345 5.064 -7.482 1.00 0.00 N ATOM 308 CA SER A 23 -2.298 5.085 -6.378 1.00 0.00 C ATOM 309 C SER A 23 -1.791 5.963 -5.238 1.00 0.00 C ATOM 310 O SER A 23 -2.476 6.887 -4.801 1.00 0.00 O ATOM 311 CB SER A 23 -2.551 3.664 -5.868 1.00 0.00 C ATOM 312 OG SER A 23 -3.324 2.921 -6.794 1.00 0.00 O ATOM 0 H SER A 23 -1.014 4.133 -7.736 1.00 0.00 H new ATOM 0 HA SER A 23 -3.234 5.504 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.599 3.161 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.067 3.705 -4.909 1.00 0.00 H new ATOM 0 HG SER A 23 -2.772 2.692 -7.571 1.00 0.00 H new ATOM 318 N MET A 24 -0.586 5.667 -4.763 1.00 0.00 N ATOM 319 CA MET A 24 0.015 6.430 -3.675 1.00 0.00 C ATOM 320 C MET A 24 -0.002 7.924 -3.985 1.00 0.00 C ATOM 321 O MET A 24 -0.206 8.749 -3.096 1.00 0.00 O ATOM 322 CB MET A 24 1.451 5.965 -3.429 1.00 0.00 C ATOM 323 CG MET A 24 2.275 5.838 -4.700 1.00 0.00 C ATOM 324 SD MET A 24 4.030 6.146 -4.424 1.00 0.00 S ATOM 325 CE MET A 24 4.367 7.355 -5.702 1.00 0.00 C ATOM 0 H MET A 24 -0.006 4.905 -5.114 1.00 0.00 H new ATOM 0 HA MET A 24 -0.574 6.257 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.942 6.668 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.430 5.001 -2.922 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.146 4.838 -5.113 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.899 6.541 -5.444 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.331 7.827 -5.511 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.391 6.861 -6.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.584 8.114 -5.701 1.00 0.00 H new ATOM 335 N ASN A 25 0.215 8.264 -5.251 1.00 0.00 N ATOM 336 CA ASN A 25 0.225 9.658 -5.677 1.00 0.00 C ATOM 337 C ASN A 25 -1.141 10.303 -5.462 1.00 0.00 C ATOM 338 O ASN A 25 -1.241 11.391 -4.894 1.00 0.00 O ATOM 339 CB ASN A 25 0.622 9.760 -7.152 1.00 0.00 C ATOM 340 CG ASN A 25 0.876 11.191 -7.585 1.00 0.00 C ATOM 341 OD1 ASN A 25 1.087 12.075 -6.754 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.856 11.426 -8.892 1.00 0.00 N ATOM 0 H ASN A 25 0.386 7.593 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 25 0.958 10.191 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.519 9.166 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.168 9.332 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.020 12.370 -9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.677 10.663 -9.545 1.00 0.00 H new ATOM 349 N GLN A 26 -2.188 9.624 -5.917 1.00 0.00 N ATOM 350 CA GLN A 26 -3.548 10.132 -5.774 1.00 0.00 C ATOM 351 C GLN A 26 -3.836 10.515 -4.326 1.00 0.00 C ATOM 352 O GLN A 26 -4.386 11.581 -4.053 1.00 0.00 O ATOM 353 CB GLN A 26 -4.558 9.085 -6.248 1.00 0.00 C ATOM 354 CG GLN A 26 -4.425 8.734 -7.721 1.00 0.00 C ATOM 355 CD GLN A 26 -5.387 7.644 -8.150 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.049 6.460 -8.135 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.594 8.039 -8.537 1.00 0.00 N ATOM 0 H GLN A 26 -2.122 8.721 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.643 11.024 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.435 8.179 -5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.566 9.454 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.602 9.627 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.403 8.412 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.831 9.031 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.284 7.350 -8.838 1.00 0.00 H new ATOM 366 N VAL A 27 -3.461 9.637 -3.401 1.00 0.00 N ATOM 367 CA VAL A 27 -3.678 9.883 -1.981 1.00 0.00 C ATOM 368 C VAL A 27 -2.974 11.158 -1.530 1.00 0.00 C ATOM 369 O VAL A 27 -3.388 11.802 -0.565 1.00 0.00 O ATOM 370 CB VAL A 27 -3.181 8.704 -1.124 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.503 8.937 0.345 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.789 7.398 -1.611 1.00 0.00 C ATOM 0 H VAL A 27 -3.005 8.749 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.753 9.996 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.098 8.635 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.144 8.093 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.015 9.850 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.581 9.034 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.427 6.576 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.875 7.454 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.501 7.227 -2.648 1.00 0.00 H new ATOM 382 N LYS A 28 -1.907 11.519 -2.235 1.00 0.00 N ATOM 383 CA LYS A 28 -1.144 12.718 -1.909 1.00 0.00 C ATOM 384 C LYS A 28 -1.735 13.943 -2.600 1.00 0.00 C ATOM 385 O LYS A 28 -1.468 15.079 -2.208 1.00 0.00 O ATOM 386 CB LYS A 28 0.320 12.544 -2.322 1.00 0.00 C ATOM 387 CG LYS A 28 1.042 11.451 -1.553 1.00 0.00 C ATOM 388 CD LYS A 28 2.530 11.443 -1.860 1.00 0.00 C ATOM 389 CE LYS A 28 3.130 10.058 -1.676 1.00 0.00 C ATOM 390 NZ LYS A 28 4.617 10.102 -1.608 1.00 0.00 N ATOM 0 H LYS A 28 -1.551 10.998 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.196 12.870 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.364 12.317 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.845 13.488 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.891 11.597 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.612 10.482 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.693 11.778 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.041 12.151 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.738 9.611 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.823 9.417 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.987 9.138 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.993 10.505 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.910 10.693 -0.804 1.00 0.00 H new ATOM 404 N LEU A 29 -2.541 13.704 -3.629 1.00 0.00 N ATOM 405 CA LEU A 29 -3.172 14.789 -4.374 1.00 0.00 C ATOM 406 C LEU A 29 -4.298 15.422 -3.564 1.00 0.00 C ATOM 407 O LEU A 29 -4.374 16.645 -3.436 1.00 0.00 O ATOM 408 CB LEU A 29 -3.715 14.270 -5.706 1.00 0.00 C ATOM 409 CG LEU A 29 -2.751 14.323 -6.891 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.410 13.710 -6.517 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.347 13.610 -8.097 1.00 0.00 C ATOM 0 H LEU A 29 -2.773 12.770 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.417 15.551 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.032 13.236 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.605 14.845 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.589 15.368 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.737 13.757 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.977 14.264 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.554 12.670 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.647 13.658 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.540 12.567 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.282 14.094 -8.380 1.00 0.00 H new ATOM 423 N LEU A 30 -5.171 14.583 -3.017 1.00 0.00 N ATOM 424 CA LEU A 30 -6.293 15.060 -2.216 1.00 0.00 C ATOM 425 C LEU A 30 -5.805 15.900 -1.040 1.00 0.00 C ATOM 426 O LEU A 30 -4.923 15.483 -0.289 1.00 0.00 O ATOM 427 CB LEU A 30 -7.120 13.879 -1.706 1.00 0.00 C ATOM 428 CG LEU A 30 -6.416 12.941 -0.724 1.00 0.00 C ATOM 429 CD1 LEU A 30 -6.526 13.475 0.695 1.00 0.00 C ATOM 430 CD2 LEU A 30 -6.999 11.538 -0.816 1.00 0.00 C ATOM 0 H LEU A 30 -5.123 13.569 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.920 15.687 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.017 14.270 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.449 13.294 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.360 12.892 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.020 12.795 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.061 14.459 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.577 13.554 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.486 10.884 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.062 11.569 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.867 11.155 -1.828 1.00 0.00 H new ATOM 442 N LYS A 31 -6.385 17.085 -0.885 1.00 0.00 N ATOM 443 CA LYS A 31 -6.013 17.983 0.201 1.00 0.00 C ATOM 444 C LYS A 31 -7.034 17.921 1.333 1.00 0.00 C ATOM 445 O LYS A 31 -7.007 18.739 2.253 1.00 0.00 O ATOM 446 CB LYS A 31 -5.894 19.419 -0.314 1.00 0.00 C ATOM 447 CG LYS A 31 -4.896 20.263 0.460 1.00 0.00 C ATOM 448 CD LYS A 31 -3.478 20.054 -0.046 1.00 0.00 C ATOM 449 CE LYS A 31 -2.861 18.790 0.532 1.00 0.00 C ATOM 450 NZ LYS A 31 -1.374 18.865 0.568 1.00 0.00 N ATOM 0 H LYS A 31 -7.115 17.446 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.046 17.661 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.601 19.396 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.873 19.895 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.163 21.316 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.947 20.009 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.484 19.992 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.865 20.915 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.241 18.629 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.167 17.931 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.992 17.985 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.009 18.993 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.081 19.670 1.158 1.00 0.00 H new ATOM 464 N LYS A 32 -7.933 16.946 1.259 1.00 0.00 N ATOM 465 CA LYS A 32 -8.962 16.775 2.278 1.00 0.00 C ATOM 466 C LYS A 32 -8.661 15.566 3.158 1.00 0.00 C ATOM 467 O LYS A 32 -9.068 14.445 2.850 1.00 0.00 O ATOM 468 CB LYS A 32 -10.336 16.612 1.623 1.00 0.00 C ATOM 469 CG LYS A 32 -10.286 15.929 0.267 1.00 0.00 C ATOM 470 CD LYS A 32 -11.676 15.560 -0.223 1.00 0.00 C ATOM 471 CE LYS A 32 -11.616 14.691 -1.469 1.00 0.00 C ATOM 472 NZ LYS A 32 -11.386 13.258 -1.136 1.00 0.00 N ATOM 0 H LYS A 32 -7.970 16.262 0.504 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.968 17.667 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.980 16.036 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.794 17.595 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.808 16.589 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.672 15.031 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.212 15.031 0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.240 16.468 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.548 14.789 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.817 15.045 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.352 12.699 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.484 13.160 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.161 12.912 -0.535 1.00 0.00 H new ATOM 486 N ASP A 33 -7.947 15.801 4.253 1.00 0.00 N ATOM 487 CA ASP A 33 -7.593 14.731 5.179 1.00 0.00 C ATOM 488 C ASP A 33 -8.801 13.848 5.477 1.00 0.00 C ATOM 489 O ASP A 33 -9.783 14.281 6.082 1.00 0.00 O ATOM 490 CB ASP A 33 -7.040 15.316 6.480 1.00 0.00 C ATOM 491 CG ASP A 33 -5.886 16.270 6.241 1.00 0.00 C ATOM 492 OD1 ASP A 33 -4.918 15.871 5.560 1.00 0.00 O ATOM 493 OD2 ASP A 33 -5.952 17.415 6.735 1.00 0.00 O ATOM 0 H ASP A 33 -7.602 16.723 4.521 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.824 14.117 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.837 15.840 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.709 14.505 7.128 1.00 0.00 H new ATOM 498 N PRO A 34 -8.731 12.582 5.042 1.00 0.00 N ATOM 499 CA PRO A 34 -9.810 11.612 5.250 1.00 0.00 C ATOM 500 C PRO A 34 -9.950 11.205 6.713 1.00 0.00 C ATOM 501 O PRO A 34 -11.043 11.242 7.276 1.00 0.00 O ATOM 502 CB PRO A 34 -9.379 10.414 4.401 1.00 0.00 C ATOM 503 CG PRO A 34 -7.896 10.526 4.312 1.00 0.00 C ATOM 504 CD PRO A 34 -7.591 11.998 4.314 1.00 0.00 C ATOM 0 HA PRO A 34 -10.783 12.019 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.678 9.473 4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.838 10.443 3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.416 10.027 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.523 10.051 3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.645 12.212 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.515 12.394 3.301 1.00 0.00 H new ATOM 512 N GLY A 35 -8.835 10.817 7.324 1.00 0.00 N ATOM 513 CA GLY A 35 -8.855 10.409 8.716 1.00 0.00 C ATOM 514 C GLY A 35 -7.643 9.581 9.096 1.00 0.00 C ATOM 515 O GLY A 35 -7.154 8.783 8.299 1.00 0.00 O ATOM 0 H GLY A 35 -7.918 10.778 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.899 11.294 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.760 9.833 8.909 1.00 0.00 H new ATOM 519 N ASN A 36 -7.156 9.774 10.318 1.00 0.00 N ATOM 520 CA ASN A 36 -5.992 9.041 10.801 1.00 0.00 C ATOM 521 C ASN A 36 -6.158 7.543 10.568 1.00 0.00 C ATOM 522 O ASN A 36 -5.178 6.799 10.530 1.00 0.00 O ATOM 523 CB ASN A 36 -5.772 9.316 12.290 1.00 0.00 C ATOM 524 CG ASN A 36 -4.891 10.527 12.530 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.178 11.623 12.048 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.811 10.334 13.278 1.00 0.00 N ATOM 0 H ASN A 36 -7.550 10.432 10.991 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.121 9.383 10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.736 9.470 12.775 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.317 8.441 12.755 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.180 11.112 13.473 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.612 9.408 13.657 1.00 0.00 H new ATOM 533 N GLU A 37 -7.404 7.108 10.412 1.00 0.00 N ATOM 534 CA GLU A 37 -7.698 5.698 10.184 1.00 0.00 C ATOM 535 C GLU A 37 -7.048 5.210 8.892 1.00 0.00 C ATOM 536 O GLU A 37 -6.219 4.300 8.906 1.00 0.00 O ATOM 537 CB GLU A 37 -9.210 5.472 10.124 1.00 0.00 C ATOM 538 CG GLU A 37 -9.599 4.062 9.713 1.00 0.00 C ATOM 539 CD GLU A 37 -9.614 3.096 10.883 1.00 0.00 C ATOM 540 OE1 GLU A 37 -10.409 3.313 11.821 1.00 0.00 O ATOM 541 OE2 GLU A 37 -8.831 2.124 10.859 1.00 0.00 O ATOM 0 H GLU A 37 -8.226 7.711 10.439 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.286 5.128 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.640 5.688 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.647 6.180 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.586 4.082 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.900 3.702 8.958 1.00 0.00 H new ATOM 548 N VAL A 38 -7.432 5.821 7.776 1.00 0.00 N ATOM 549 CA VAL A 38 -6.888 5.450 6.475 1.00 0.00 C ATOM 550 C VAL A 38 -5.411 5.816 6.372 1.00 0.00 C ATOM 551 O VAL A 38 -4.591 5.014 5.927 1.00 0.00 O ATOM 552 CB VAL A 38 -7.656 6.136 5.329 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.675 7.644 5.526 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.042 5.773 3.985 1.00 0.00 C ATOM 0 H VAL A 38 -8.118 6.575 7.747 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.999 4.370 6.382 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.686 5.780 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.222 8.111 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.164 7.881 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.653 8.022 5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.597 6.266 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.002 6.100 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.087 4.693 3.844 1.00 0.00 H new ATOM 564 N LYS A 39 -5.079 7.033 6.788 1.00 0.00 N ATOM 565 CA LYS A 39 -3.700 7.507 6.746 1.00 0.00 C ATOM 566 C LYS A 39 -2.741 6.437 7.257 1.00 0.00 C ATOM 567 O LYS A 39 -1.566 6.415 6.889 1.00 0.00 O ATOM 568 CB LYS A 39 -3.551 8.781 7.581 1.00 0.00 C ATOM 569 CG LYS A 39 -4.228 9.994 6.966 1.00 0.00 C ATOM 570 CD LYS A 39 -4.678 10.980 8.030 1.00 0.00 C ATOM 571 CE LYS A 39 -4.842 12.380 7.459 1.00 0.00 C ATOM 572 NZ LYS A 39 -3.528 13.045 7.236 1.00 0.00 N ATOM 0 H LYS A 39 -5.746 7.710 7.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.450 7.729 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.968 8.606 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.491 8.996 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.540 10.487 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.088 9.673 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.623 10.648 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.950 11.000 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.387 12.326 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.443 12.982 8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.680 14.052 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.943 12.954 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.042 12.594 6.435 1.00 0.00 H new ATOM 586 N LEU A 40 -3.250 5.549 8.105 1.00 0.00 N ATOM 587 CA LEU A 40 -2.438 4.474 8.665 1.00 0.00 C ATOM 588 C LEU A 40 -2.432 3.259 7.743 1.00 0.00 C ATOM 589 O LEU A 40 -1.374 2.730 7.401 1.00 0.00 O ATOM 590 CB LEU A 40 -2.964 4.078 10.046 1.00 0.00 C ATOM 591 CG LEU A 40 -2.718 5.083 11.171 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.605 4.774 12.367 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.251 5.080 11.578 1.00 0.00 C ATOM 0 H LEU A 40 -4.220 5.552 8.419 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.415 4.838 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.037 3.906 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.508 3.129 10.328 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.971 6.078 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.416 5.500 13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.652 4.828 12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.384 3.772 12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.094 5.801 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.972 4.085 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.635 5.351 10.721 1.00 0.00 H new ATOM 605 N LYS A 41 -3.621 2.822 7.341 1.00 0.00 N ATOM 606 CA LYS A 41 -3.754 1.671 6.456 1.00 0.00 C ATOM 607 C LYS A 41 -2.908 1.851 5.199 1.00 0.00 C ATOM 608 O LYS A 41 -2.379 0.883 4.652 1.00 0.00 O ATOM 609 CB LYS A 41 -5.221 1.465 6.070 1.00 0.00 C ATOM 610 CG LYS A 41 -5.624 2.194 4.800 1.00 0.00 C ATOM 611 CD LYS A 41 -7.128 2.154 4.588 1.00 0.00 C ATOM 612 CE LYS A 41 -7.603 0.753 4.231 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.848 0.189 3.078 1.00 0.00 N ATOM 0 H LYS A 41 -4.507 3.248 7.614 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.398 0.790 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.408 0.399 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.855 1.803 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.290 3.230 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.123 1.741 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.633 2.491 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.403 2.847 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.488 0.099 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.666 0.780 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.516 -0.195 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.278 0.939 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.221 -0.571 3.412 1.00 0.00 H new ATOM 627 N LEU A 42 -2.784 3.094 4.748 1.00 0.00 N ATOM 628 CA LEU A 42 -2.000 3.400 3.557 1.00 0.00 C ATOM 629 C LEU A 42 -0.506 3.276 3.841 1.00 0.00 C ATOM 630 O LEU A 42 0.286 2.999 2.940 1.00 0.00 O ATOM 631 CB LEU A 42 -2.320 4.811 3.060 1.00 0.00 C ATOM 632 CG LEU A 42 -3.465 4.924 2.053 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.163 4.104 0.808 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.776 4.478 2.682 1.00 0.00 C ATOM 0 H LEU A 42 -3.216 3.906 5.189 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.265 2.680 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.559 5.433 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.421 5.227 2.606 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.564 5.969 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.989 4.196 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.247 4.470 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.037 3.057 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.579 4.566 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.690 3.440 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.999 5.108 3.543 1.00 0.00 H new ATOM 646 N TYR A 43 -0.129 3.481 5.098 1.00 0.00 N ATOM 647 CA TYR A 43 1.269 3.392 5.501 1.00 0.00 C ATOM 648 C TYR A 43 1.653 1.950 5.820 1.00 0.00 C ATOM 649 O TYR A 43 2.786 1.531 5.583 1.00 0.00 O ATOM 650 CB TYR A 43 1.529 4.282 6.717 1.00 0.00 C ATOM 651 CG TYR A 43 2.599 3.747 7.641 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.282 2.862 8.664 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.927 4.126 7.491 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.257 2.371 9.512 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.909 3.640 8.333 1.00 0.00 C ATOM 656 CZ TYR A 43 4.569 2.763 9.342 1.00 0.00 C ATOM 657 OH TYR A 43 5.542 2.275 10.183 1.00 0.00 O ATOM 0 H TYR A 43 -0.772 3.710 5.856 1.00 0.00 H new ATOM 0 HA TYR A 43 1.883 3.737 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.820 5.275 6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.601 4.397 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.256 2.552 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.197 4.813 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.993 1.685 10.303 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.937 3.945 8.202 1.00 0.00 H new ATOM 0 HH TYR A 43 6.412 2.648 9.928 1.00 0.00 H new ATOM 667 N ALA A 44 0.701 1.196 6.359 1.00 0.00 N ATOM 668 CA ALA A 44 0.937 -0.199 6.709 1.00 0.00 C ATOM 669 C ALA A 44 1.388 -1.001 5.493 1.00 0.00 C ATOM 670 O ALA A 44 2.312 -1.811 5.578 1.00 0.00 O ATOM 671 CB ALA A 44 -0.318 -0.811 7.312 1.00 0.00 C ATOM 0 H ALA A 44 -0.242 1.528 6.563 1.00 0.00 H new ATOM 0 HA ALA A 44 1.736 -0.232 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.127 -1.853 7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.595 -0.261 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.132 -0.758 6.589 1.00 0.00 H new ATOM 677 N LEU A 45 0.730 -0.772 4.362 1.00 0.00 N ATOM 678 CA LEU A 45 1.063 -1.474 3.127 1.00 0.00 C ATOM 679 C LEU A 45 2.330 -0.902 2.500 1.00 0.00 C ATOM 680 O LEU A 45 3.225 -1.644 2.096 1.00 0.00 O ATOM 681 CB LEU A 45 -0.098 -1.381 2.136 1.00 0.00 C ATOM 682 CG LEU A 45 -1.285 -2.308 2.402 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.801 -3.678 2.849 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.212 -1.701 3.445 1.00 0.00 C ATOM 0 H LEU A 45 -0.037 -0.106 4.274 1.00 0.00 H new ATOM 0 HA LEU A 45 1.242 -2.521 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.461 -0.353 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.285 -1.592 1.138 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.844 -2.428 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.659 -4.325 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.178 -4.116 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.219 -3.577 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.051 -2.374 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.664 -1.551 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.586 -0.742 3.086 1.00 0.00 H new ATOM 696 N TYR A 46 2.399 0.423 2.423 1.00 0.00 N ATOM 697 CA TYR A 46 3.556 1.095 1.844 1.00 0.00 C ATOM 698 C TYR A 46 4.856 0.479 2.355 1.00 0.00 C ATOM 699 O TYR A 46 5.726 0.098 1.571 1.00 0.00 O ATOM 700 CB TYR A 46 3.523 2.588 2.174 1.00 0.00 C ATOM 701 CG TYR A 46 4.868 3.266 2.048 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.505 3.365 0.817 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.503 3.807 3.159 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.735 3.984 0.696 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.732 4.429 3.048 1.00 0.00 C ATOM 706 CZ TYR A 46 7.344 4.514 1.814 1.00 0.00 C ATOM 707 OH TYR A 46 8.568 5.131 1.699 1.00 0.00 O ATOM 0 H TYR A 46 1.668 1.052 2.754 1.00 0.00 H new ATOM 0 HA TYR A 46 3.514 0.967 0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.813 3.082 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.154 2.719 3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.031 2.951 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.028 3.740 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.216 4.052 -0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.211 4.846 3.922 1.00 0.00 H new ATOM 0 HH TYR A 46 8.857 5.450 2.579 1.00 0.00 H new ATOM 717 N LYS A 47 4.979 0.384 3.674 1.00 0.00 N ATOM 718 CA LYS A 47 6.170 -0.187 4.292 1.00 0.00 C ATOM 719 C LYS A 47 6.220 -1.697 4.083 1.00 0.00 C ATOM 720 O LYS A 47 7.262 -2.324 4.275 1.00 0.00 O ATOM 721 CB LYS A 47 6.196 0.132 5.789 1.00 0.00 C ATOM 722 CG LYS A 47 6.291 1.617 6.092 1.00 0.00 C ATOM 723 CD LYS A 47 7.736 2.088 6.123 1.00 0.00 C ATOM 724 CE LYS A 47 8.397 1.770 7.455 1.00 0.00 C ATOM 725 NZ LYS A 47 9.756 2.371 7.557 1.00 0.00 N ATOM 0 H LYS A 47 4.268 0.695 4.336 1.00 0.00 H new ATOM 0 HA LYS A 47 7.044 0.258 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.295 -0.268 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.043 -0.379 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.740 2.179 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.819 1.824 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.293 1.611 5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.774 3.163 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.773 2.142 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.468 0.689 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.173 2.132 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.359 1.997 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.686 3.405 7.467 1.00 0.00 H new ATOM 739 N GLN A 48 5.090 -2.274 3.688 1.00 0.00 N ATOM 740 CA GLN A 48 5.007 -3.710 3.452 1.00 0.00 C ATOM 741 C GLN A 48 5.463 -4.057 2.039 1.00 0.00 C ATOM 742 O GLN A 48 6.049 -5.115 1.807 1.00 0.00 O ATOM 743 CB GLN A 48 3.576 -4.203 3.674 1.00 0.00 C ATOM 744 CG GLN A 48 3.481 -5.699 3.929 1.00 0.00 C ATOM 745 CD GLN A 48 3.666 -6.055 5.391 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.467 -5.221 6.275 1.00 0.00 O ATOM 747 NE2 GLN A 48 4.050 -7.299 5.653 1.00 0.00 N ATOM 0 H GLN A 48 4.219 -1.769 3.525 1.00 0.00 H new ATOM 0 HA GLN A 48 5.669 -4.208 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.144 -3.670 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.975 -3.953 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.510 -6.060 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.237 -6.214 3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.203 -7.957 4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.192 -7.596 6.618 1.00 0.00 H new ATOM 756 N ALA A 49 5.191 -3.160 1.097 1.00 0.00 N ATOM 757 CA ALA A 49 5.575 -3.370 -0.293 1.00 0.00 C ATOM 758 C ALA A 49 6.905 -2.691 -0.604 1.00 0.00 C ATOM 759 O ALA A 49 7.277 -2.534 -1.767 1.00 0.00 O ATOM 760 CB ALA A 49 4.487 -2.857 -1.225 1.00 0.00 C ATOM 0 H ALA A 49 4.706 -2.280 1.272 1.00 0.00 H new ATOM 0 HA ALA A 49 5.698 -4.441 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.788 -3.020 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.558 -3.391 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.335 -1.791 -1.055 1.00 0.00 H new ATOM 766 N THR A 50 7.618 -2.290 0.443 1.00 0.00 N ATOM 767 CA THR A 50 8.906 -1.626 0.282 1.00 0.00 C ATOM 768 C THR A 50 9.943 -2.197 1.242 1.00 0.00 C ATOM 769 O THR A 50 11.068 -2.499 0.846 1.00 0.00 O ATOM 770 CB THR A 50 8.788 -0.108 0.515 1.00 0.00 C ATOM 771 OG1 THR A 50 8.218 0.147 1.803 1.00 0.00 O ATOM 772 CG2 THR A 50 7.931 0.540 -0.562 1.00 0.00 C ATOM 0 H THR A 50 7.326 -2.413 1.412 1.00 0.00 H new ATOM 0 HA THR A 50 9.228 -1.805 -0.744 1.00 0.00 H new ATOM 0 HB THR A 50 9.788 0.323 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.314 0.509 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.862 1.612 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.384 0.369 -1.539 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.932 0.104 -0.544 1.00 0.00 H new ATOM 780 N GLU A 51 9.556 -2.344 2.505 1.00 0.00 N ATOM 781 CA GLU A 51 10.454 -2.879 3.521 1.00 0.00 C ATOM 782 C GLU A 51 10.099 -4.325 3.854 1.00 0.00 C ATOM 783 O GLU A 51 10.974 -5.139 4.150 1.00 0.00 O ATOM 784 CB GLU A 51 10.395 -2.023 4.788 1.00 0.00 C ATOM 785 CG GLU A 51 10.461 -0.530 4.518 1.00 0.00 C ATOM 786 CD GLU A 51 11.871 -0.050 4.233 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.460 -0.501 3.229 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.385 0.776 5.015 1.00 0.00 O ATOM 0 H GLU A 51 8.627 -2.100 2.849 1.00 0.00 H new ATOM 0 HA GLU A 51 11.468 -2.855 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.473 -2.246 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.220 -2.302 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.821 -0.290 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.065 0.009 5.379 1.00 0.00 H new ATOM 795 N GLY A 52 8.808 -4.638 3.804 1.00 0.00 N ATOM 796 CA GLY A 52 8.359 -5.986 4.102 1.00 0.00 C ATOM 797 C GLY A 52 7.567 -6.060 5.392 1.00 0.00 C ATOM 798 O GLY A 52 6.849 -5.130 5.760 1.00 0.00 O ATOM 0 H GLY A 52 8.065 -3.982 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.744 -6.351 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.223 -6.647 4.171 1.00 0.00 H new ATOM 802 N PRO A 53 7.691 -7.190 6.104 1.00 0.00 N ATOM 803 CA PRO A 53 6.987 -7.410 7.370 1.00 0.00 C ATOM 804 C PRO A 53 7.525 -6.529 8.493 1.00 0.00 C ATOM 805 O PRO A 53 8.733 -6.315 8.602 1.00 0.00 O ATOM 806 CB PRO A 53 7.256 -8.886 7.674 1.00 0.00 C ATOM 807 CG PRO A 53 8.529 -9.193 6.965 1.00 0.00 C ATOM 808 CD PRO A 53 8.529 -8.341 5.726 1.00 0.00 C ATOM 0 HA PRO A 53 5.928 -7.162 7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.348 -9.059 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.442 -9.518 7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.390 -8.967 7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.589 -10.251 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.537 -8.031 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.116 -8.875 4.871 1.00 0.00 H new ATOM 816 N CYS A 54 6.622 -6.022 9.325 1.00 0.00 N ATOM 817 CA CYS A 54 7.006 -5.163 10.439 1.00 0.00 C ATOM 818 C CYS A 54 8.178 -5.764 11.209 1.00 0.00 C ATOM 819 O CYS A 54 8.014 -6.725 11.958 1.00 0.00 O ATOM 820 CB CYS A 54 5.819 -4.951 11.379 1.00 0.00 C ATOM 821 SG CYS A 54 6.248 -4.146 12.941 1.00 0.00 S ATOM 0 H CYS A 54 5.619 -6.191 9.249 1.00 0.00 H new ATOM 0 HA CYS A 54 7.316 -4.200 10.033 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.067 -4.350 10.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.363 -5.917 11.594 1.00 0.00 H new ATOM 0 HG CYS A 54 5.181 -3.621 13.466 1.00 0.00 H new ATOM 827 N ASN A 55 9.362 -5.190 11.016 1.00 0.00 N ATOM 828 CA ASN A 55 10.563 -5.670 11.690 1.00 0.00 C ATOM 829 C ASN A 55 11.140 -4.593 12.604 1.00 0.00 C ATOM 830 O ASN A 55 12.284 -4.690 13.049 1.00 0.00 O ATOM 831 CB ASN A 55 11.612 -6.099 10.663 1.00 0.00 C ATOM 832 CG ASN A 55 12.495 -4.948 10.223 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.595 -4.760 10.743 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.016 -4.171 9.259 1.00 0.00 N ATOM 0 H ASN A 55 9.515 -4.392 10.399 1.00 0.00 H new ATOM 0 HA ASN A 55 10.289 -6.531 12.300 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.233 -6.887 11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.112 -6.523 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.565 -3.381 8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.099 -4.364 8.857 1.00 0.00 H new ATOM 841 N MET A 56 10.341 -3.568 12.880 1.00 0.00 N ATOM 842 CA MET A 56 10.772 -2.474 13.743 1.00 0.00 C ATOM 843 C MET A 56 10.402 -2.749 15.197 1.00 0.00 C ATOM 844 O MET A 56 9.478 -3.506 15.494 1.00 0.00 O ATOM 845 CB MET A 56 10.144 -1.156 13.285 1.00 0.00 C ATOM 846 CG MET A 56 8.660 -1.268 12.972 1.00 0.00 C ATOM 847 SD MET A 56 7.888 0.337 12.686 1.00 0.00 S ATOM 848 CE MET A 56 8.252 1.167 14.231 1.00 0.00 C ATOM 0 H MET A 56 9.392 -3.472 12.519 1.00 0.00 H new ATOM 0 HA MET A 56 11.857 -2.395 13.672 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.288 -0.405 14.062 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.669 -0.802 12.398 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.525 -1.894 12.090 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.155 -1.768 13.799 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.387 1.752 14.542 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.484 0.426 14.996 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.108 1.829 14.096 1.00 0.00 H new ATOM 858 N PRO A 57 11.139 -2.122 16.125 1.00 0.00 N ATOM 859 CA PRO A 57 10.906 -2.284 17.563 1.00 0.00 C ATOM 860 C PRO A 57 9.603 -1.633 18.016 1.00 0.00 C ATOM 861 O PRO A 57 9.322 -0.482 17.681 1.00 0.00 O ATOM 862 CB PRO A 57 12.106 -1.577 18.199 1.00 0.00 C ATOM 863 CG PRO A 57 12.542 -0.582 17.181 1.00 0.00 C ATOM 864 CD PRO A 57 12.256 -1.205 15.843 1.00 0.00 C ATOM 0 HA PRO A 57 10.813 -3.333 17.845 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.829 -1.091 19.134 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.904 -2.282 18.430 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.002 0.357 17.297 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.603 -0.355 17.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.983 -0.455 15.101 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.124 -1.737 15.454 1.00 0.00 H new ATOM 872 N LYS A 58 8.810 -2.377 18.780 1.00 0.00 N ATOM 873 CA LYS A 58 7.537 -1.872 19.282 1.00 0.00 C ATOM 874 C LYS A 58 7.734 -0.574 20.058 1.00 0.00 C ATOM 875 O LYS A 58 8.545 -0.492 20.981 1.00 0.00 O ATOM 876 CB LYS A 58 6.867 -2.918 20.176 1.00 0.00 C ATOM 877 CG LYS A 58 5.458 -2.543 20.600 1.00 0.00 C ATOM 878 CD LYS A 58 4.655 -3.766 21.011 1.00 0.00 C ATOM 879 CE LYS A 58 3.187 -3.425 21.219 1.00 0.00 C ATOM 880 NZ LYS A 58 2.400 -4.610 21.658 1.00 0.00 N ATOM 0 H LYS A 58 9.026 -3.332 19.065 1.00 0.00 H new ATOM 0 HA LYS A 58 6.893 -1.668 18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.837 -3.870 19.647 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.478 -3.067 21.066 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.502 -1.840 21.431 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.953 -2.034 19.779 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.746 -4.536 20.245 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.067 -4.181 21.931 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.100 -2.635 21.964 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.769 -3.035 20.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.405 -4.337 21.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.462 -5.355 20.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.782 -4.967 22.557 1.00 0.00 H new ATOM 894 N PRO A 59 6.975 0.464 19.680 1.00 0.00 N ATOM 895 CA PRO A 59 7.047 1.776 20.329 1.00 0.00 C ATOM 896 C PRO A 59 6.481 1.753 21.745 1.00 0.00 C ATOM 897 O PRO A 59 5.889 0.763 22.172 1.00 0.00 O ATOM 898 CB PRO A 59 6.190 2.667 19.426 1.00 0.00 C ATOM 899 CG PRO A 59 5.240 1.731 18.762 1.00 0.00 C ATOM 900 CD PRO A 59 5.987 0.437 18.588 1.00 0.00 C ATOM 0 HA PRO A 59 8.075 2.121 20.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.661 3.424 20.004 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.802 3.195 18.695 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.346 1.587 19.369 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.912 2.125 17.800 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.323 -0.424 18.668 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.468 0.379 17.612 1.00 0.00 H new ATOM 908 N GLY A 60 6.668 2.852 22.470 1.00 0.00 N ATOM 909 CA GLY A 60 6.171 2.937 23.831 1.00 0.00 C ATOM 910 C GLY A 60 4.750 3.463 23.897 1.00 0.00 C ATOM 911 O GLY A 60 4.299 4.168 22.994 1.00 0.00 O ATOM 0 H GLY A 60 7.155 3.685 22.139 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.212 1.950 24.292 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.824 3.588 24.413 1.00 0.00 H new ATOM 915 N VAL A 61 4.043 3.119 24.968 1.00 0.00 N ATOM 916 CA VAL A 61 2.665 3.560 25.149 1.00 0.00 C ATOM 917 C VAL A 61 2.560 5.079 25.071 1.00 0.00 C ATOM 918 O VAL A 61 1.596 5.619 24.527 1.00 0.00 O ATOM 919 CB VAL A 61 2.096 3.085 26.499 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.476 1.703 26.361 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.181 3.088 27.565 1.00 0.00 C ATOM 0 H VAL A 61 4.402 2.536 25.724 1.00 0.00 H new ATOM 0 HA VAL A 61 2.082 3.116 24.342 1.00 0.00 H new ATOM 0 HB VAL A 61 1.314 3.778 26.808 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.079 1.384 27.325 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.668 1.738 25.630 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.235 0.995 26.029 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.761 2.750 28.512 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.987 2.418 27.265 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.573 4.098 27.682 1.00 0.00 H new ATOM 931 N PHE A 62 3.559 5.764 25.618 1.00 0.00 N ATOM 932 CA PHE A 62 3.579 7.222 25.611 1.00 0.00 C ATOM 933 C PHE A 62 3.666 7.759 24.185 1.00 0.00 C ATOM 934 O PHE A 62 3.420 8.939 23.938 1.00 0.00 O ATOM 935 CB PHE A 62 4.759 7.741 26.436 1.00 0.00 C ATOM 936 CG PHE A 62 4.983 6.975 27.708 1.00 0.00 C ATOM 937 CD1 PHE A 62 3.913 6.449 28.414 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.264 6.780 28.198 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.117 5.745 29.585 1.00 0.00 C ATOM 940 CE2 PHE A 62 6.475 6.076 29.369 1.00 0.00 C ATOM 941 CZ PHE A 62 5.399 5.557 30.063 1.00 0.00 C ATOM 0 H PHE A 62 4.365 5.333 26.071 1.00 0.00 H new ATOM 0 HA PHE A 62 2.649 7.575 26.057 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.664 7.696 25.830 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.589 8.790 26.678 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.908 6.591 28.045 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.108 7.183 27.659 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.274 5.342 30.127 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.479 5.932 29.740 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.560 5.005 30.977 1.00 0.00 H new ATOM 951 N ASP A 63 4.018 6.883 23.251 1.00 0.00 N ATOM 952 CA ASP A 63 4.138 7.266 21.849 1.00 0.00 C ATOM 953 C ASP A 63 2.959 6.737 21.038 1.00 0.00 C ATOM 954 O ASP A 63 3.097 5.781 20.273 1.00 0.00 O ATOM 955 CB ASP A 63 5.451 6.743 21.265 1.00 0.00 C ATOM 956 CG ASP A 63 6.606 7.698 21.490 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.590 8.420 22.509 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.527 7.724 20.647 1.00 0.00 O ATOM 0 H ASP A 63 4.225 5.902 23.439 1.00 0.00 H new ATOM 0 HA ASP A 63 4.134 8.355 21.794 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.687 5.779 21.716 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.327 6.573 20.196 1.00 0.00 H new ATOM 963 N LEU A 64 1.800 7.363 21.210 1.00 0.00 N ATOM 964 CA LEU A 64 0.596 6.955 20.495 1.00 0.00 C ATOM 965 C LEU A 64 0.801 7.047 18.987 1.00 0.00 C ATOM 966 O LEU A 64 0.416 6.145 18.242 1.00 0.00 O ATOM 967 CB LEU A 64 -0.590 7.825 20.915 1.00 0.00 C ATOM 968 CG LEU A 64 -0.778 8.023 22.419 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.889 9.026 22.690 1.00 0.00 C ATOM 970 CD2 LEU A 64 -1.079 6.695 23.098 1.00 0.00 C ATOM 0 H LEU A 64 1.669 8.155 21.839 1.00 0.00 H new ATOM 0 HA LEU A 64 0.385 5.917 20.751 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.478 8.805 20.451 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.500 7.383 20.510 1.00 0.00 H new ATOM 0 HG LEU A 64 0.150 8.418 22.833 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.009 9.154 23.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.633 9.984 22.236 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.822 8.660 22.262 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.210 6.855 24.168 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.992 6.271 22.680 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.251 6.006 22.933 1.00 0.00 H new ATOM 982 N ILE A 65 1.411 8.141 18.544 1.00 0.00 N ATOM 983 CA ILE A 65 1.670 8.348 17.124 1.00 0.00 C ATOM 984 C ILE A 65 2.310 7.115 16.496 1.00 0.00 C ATOM 985 O ILE A 65 1.771 6.534 15.555 1.00 0.00 O ATOM 986 CB ILE A 65 2.587 9.564 16.891 1.00 0.00 C ATOM 987 CG1 ILE A 65 1.774 10.859 16.937 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.311 9.433 15.560 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.555 12.044 17.460 1.00 0.00 C ATOM 0 H ILE A 65 1.735 8.897 19.147 1.00 0.00 H new ATOM 0 HA ILE A 65 0.706 8.534 16.651 1.00 0.00 H new ATOM 0 HB ILE A 65 3.332 9.597 17.686 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.412 11.087 15.935 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.897 10.706 17.566 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.955 10.299 15.409 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.917 8.527 15.563 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.581 9.379 14.752 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.916 12.927 17.465 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.895 11.837 18.475 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.417 12.223 16.818 1.00 0.00 H new ATOM 1001 N ASN A 66 3.464 6.720 17.025 1.00 0.00 N ATOM 1002 CA ASN A 66 4.178 5.554 16.516 1.00 0.00 C ATOM 1003 C ASN A 66 3.381 4.277 16.765 1.00 0.00 C ATOM 1004 O ASN A 66 3.226 3.444 15.872 1.00 0.00 O ATOM 1005 CB ASN A 66 5.554 5.446 17.175 1.00 0.00 C ATOM 1006 CG ASN A 66 6.474 6.585 16.782 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.363 6.420 15.947 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.265 7.750 17.385 1.00 0.00 N ATOM 0 H ASN A 66 3.924 7.190 17.805 1.00 0.00 H new ATOM 0 HA ASN A 66 4.306 5.678 15.441 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.435 5.436 18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.014 4.498 16.896 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.853 8.553 17.162 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.516 7.842 18.071 1.00 0.00 H new ATOM 1015 N LYS A 67 2.876 4.130 17.985 1.00 0.00 N ATOM 1016 CA LYS A 67 2.093 2.956 18.353 1.00 0.00 C ATOM 1017 C LYS A 67 0.964 2.720 17.355 1.00 0.00 C ATOM 1018 O LYS A 67 0.642 1.578 17.026 1.00 0.00 O ATOM 1019 CB LYS A 67 1.516 3.123 19.761 1.00 0.00 C ATOM 1020 CG LYS A 67 1.167 1.808 20.436 1.00 0.00 C ATOM 1021 CD LYS A 67 2.405 0.959 20.675 1.00 0.00 C ATOM 1022 CE LYS A 67 2.151 -0.114 21.723 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.099 -1.075 21.290 1.00 0.00 N ATOM 0 H LYS A 67 2.995 4.810 18.736 1.00 0.00 H new ATOM 0 HA LYS A 67 2.755 2.090 18.338 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.237 3.659 20.379 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.621 3.742 19.706 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.671 2.006 21.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.460 1.256 19.817 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.712 0.490 19.740 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.228 1.597 20.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.077 -0.654 21.921 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.850 0.357 22.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.073 -1.881 21.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.174 -0.600 21.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.314 -1.417 20.332 1.00 0.00 H new ATOM 1037 N ALA A 68 0.368 3.806 16.875 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.722 3.717 15.911 1.00 0.00 C ATOM 1039 C ALA A 68 -0.259 3.054 14.618 1.00 0.00 C ATOM 1040 O ALA A 68 -0.935 2.178 14.080 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.288 5.100 15.624 1.00 0.00 C ATOM 0 H ALA A 68 0.622 4.758 17.138 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.507 3.098 16.345 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.101 5.018 14.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.666 5.538 16.548 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.503 5.737 15.215 1.00 0.00 H new ATOM 1047 N LYS A 69 0.899 3.479 14.123 1.00 0.00 N ATOM 1048 CA LYS A 69 1.454 2.927 12.893 1.00 0.00 C ATOM 1049 C LYS A 69 1.947 1.500 13.111 1.00 0.00 C ATOM 1050 O LYS A 69 1.674 0.609 12.307 1.00 0.00 O ATOM 1051 CB LYS A 69 2.603 3.804 12.390 1.00 0.00 C ATOM 1052 CG LYS A 69 2.151 4.945 11.495 1.00 0.00 C ATOM 1053 CD LYS A 69 3.080 6.142 11.605 1.00 0.00 C ATOM 1054 CE LYS A 69 2.541 7.338 10.837 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.135 8.618 11.315 1.00 0.00 N ATOM 0 H LYS A 69 1.471 4.204 14.555 1.00 0.00 H new ATOM 0 HA LYS A 69 0.663 2.909 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.137 4.215 13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.311 3.182 11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.116 4.605 10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.138 5.243 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.208 6.409 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.065 5.876 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.753 7.213 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.457 7.379 10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.742 9.409 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.911 8.750 12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.167 8.590 11.191 1.00 0.00 H new ATOM 1069 N TRP A 70 2.673 1.290 14.203 1.00 0.00 N ATOM 1070 CA TRP A 70 3.203 -0.030 14.527 1.00 0.00 C ATOM 1071 C TRP A 70 2.112 -1.091 14.434 1.00 0.00 C ATOM 1072 O TRP A 70 2.361 -2.212 13.991 1.00 0.00 O ATOM 1073 CB TRP A 70 3.812 -0.027 15.930 1.00 0.00 C ATOM 1074 CG TRP A 70 4.779 -1.149 16.160 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.097 -1.181 15.802 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.504 -2.401 16.797 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.657 -2.378 16.178 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.701 -3.143 16.791 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.363 -2.967 17.373 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.787 -4.421 17.339 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.450 -4.235 17.916 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.655 -4.950 17.896 1.00 0.00 C ATOM 0 H TRP A 70 2.908 2.016 14.879 1.00 0.00 H new ATOM 0 HA TRP A 70 3.981 -0.271 13.802 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.322 0.922 16.095 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.011 -0.091 16.666 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.622 -0.383 15.298 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.627 -2.652 16.025 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.430 -2.423 17.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.714 -4.974 17.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.575 -4.682 18.363 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.691 -5.939 18.329 1.00 0.00 H new ATOM 1093 N ASP A 71 0.905 -0.731 14.855 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.224 -1.653 14.818 1.00 0.00 C ATOM 1095 C ASP A 71 -0.763 -1.796 13.398 1.00 0.00 C ATOM 1096 O ASP A 71 -1.358 -2.815 13.049 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.335 -1.171 15.753 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.109 -1.599 17.190 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.188 -1.054 17.833 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.852 -2.480 17.671 1.00 0.00 O ATOM 0 H ASP A 71 0.683 0.193 15.226 1.00 0.00 H new ATOM 0 HA ASP A 71 0.125 -2.629 15.155 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.399 -0.084 15.707 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.292 -1.561 15.407 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.553 -0.766 12.585 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.016 -0.776 11.203 1.00 0.00 C ATOM 1107 C ALA A 72 -0.103 -1.624 10.324 1.00 0.00 C ATOM 1108 O ALA A 72 -0.571 -2.363 9.458 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.101 0.644 10.664 1.00 0.00 C ATOM 0 H ALA A 72 -0.065 0.086 12.860 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.011 -1.220 11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.448 0.621 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.800 1.222 11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.116 1.108 10.705 1.00 0.00 H new ATOM 1115 N TRP A 73 1.200 -1.512 10.552 1.00 0.00 N ATOM 1116 CA TRP A 73 2.179 -2.268 9.779 1.00 0.00 C ATOM 1117 C TRP A 73 2.367 -3.666 10.358 1.00 0.00 C ATOM 1118 O TRP A 73 2.627 -4.621 9.627 1.00 0.00 O ATOM 1119 CB TRP A 73 3.518 -1.530 9.752 1.00 0.00 C ATOM 1120 CG TRP A 73 4.545 -2.193 8.884 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.314 -3.101 7.889 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.963 -2.003 8.935 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.504 -3.485 7.319 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.530 -2.826 7.942 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.808 -1.216 9.721 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.903 -2.883 7.718 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.171 -1.274 9.497 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.707 -2.102 8.502 1.00 0.00 C ATOM 0 H TRP A 73 1.604 -0.905 11.266 1.00 0.00 H new ATOM 0 HA TRP A 73 1.805 -2.364 8.760 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.356 -0.512 9.398 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.905 -1.457 10.768 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.340 -3.463 7.594 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.606 -4.153 6.555 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.404 -0.574 10.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.319 -3.521 6.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.834 -0.671 10.099 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.776 -2.124 8.351 1.00 0.00 H new ATOM 1139 N ASN A 74 2.232 -3.780 11.675 1.00 0.00 N ATOM 1140 CA ASN A 74 2.388 -5.062 12.352 1.00 0.00 C ATOM 1141 C ASN A 74 1.313 -6.048 11.904 1.00 0.00 C ATOM 1142 O ASN A 74 1.610 -7.191 11.559 1.00 0.00 O ATOM 1143 CB ASN A 74 2.322 -4.873 13.869 1.00 0.00 C ATOM 1144 CG ASN A 74 2.280 -6.193 14.614 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.744 -7.217 14.113 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.721 -6.175 15.819 1.00 0.00 N ATOM 0 H ASN A 74 2.015 -3.000 12.295 1.00 0.00 H new ATOM 0 HA ASN A 74 3.363 -5.469 12.085 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.188 -4.300 14.199 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.438 -4.288 14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.664 -7.033 16.368 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.349 -5.303 16.196 1.00 0.00 H new ATOM 1153 N ALA A 75 0.063 -5.595 11.911 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.056 -6.435 11.503 1.00 0.00 C ATOM 1155 C ALA A 75 -0.709 -7.246 10.259 1.00 0.00 C ATOM 1156 O ALA A 75 -0.905 -8.461 10.222 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.291 -5.584 11.253 1.00 0.00 C ATOM 0 H ALA A 75 -0.200 -4.651 12.195 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.268 -7.134 12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.119 -6.225 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.559 -5.054 12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.082 -4.862 10.463 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.193 -6.566 9.240 1.00 0.00 N ATOM 1164 CA LEU A 76 0.181 -7.223 7.993 1.00 0.00 C ATOM 1165 C LEU A 76 0.852 -8.565 8.264 1.00 0.00 C ATOM 1166 O LEU A 76 0.495 -9.581 7.670 1.00 0.00 O ATOM 1167 CB LEU A 76 1.118 -6.326 7.182 1.00 0.00 C ATOM 1168 CG LEU A 76 0.451 -5.206 6.383 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.100 -5.743 5.071 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.654 -4.553 7.200 1.00 0.00 C ATOM 0 H LEU A 76 -0.024 -5.560 9.254 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.728 -7.402 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.840 -5.878 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.680 -6.953 6.490 1.00 0.00 H new ATOM 0 HG LEU A 76 1.202 -4.450 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.571 -4.932 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.713 -6.163 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.838 -6.519 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.117 -3.758 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.405 -5.299 7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.232 -4.133 8.113 1.00 0.00 H new ATOM 1182 N GLY A 77 1.827 -8.562 9.169 1.00 0.00 N ATOM 1183 CA GLY A 77 2.531 -9.785 9.505 1.00 0.00 C ATOM 1184 C GLY A 77 3.538 -10.185 8.445 1.00 0.00 C ATOM 1185 O GLY A 77 4.368 -9.375 8.031 1.00 0.00 O ATOM 0 H GLY A 77 2.141 -7.734 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.044 -9.655 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.809 -10.591 9.639 1.00 0.00 H new ATOM 1189 N SER A 78 3.467 -11.437 8.006 1.00 0.00 N ATOM 1190 CA SER A 78 4.384 -11.944 6.991 1.00 0.00 C ATOM 1191 C SER A 78 3.831 -11.703 5.590 1.00 0.00 C ATOM 1192 O SER A 78 4.073 -12.486 4.671 1.00 0.00 O ATOM 1193 CB SER A 78 4.635 -13.439 7.202 1.00 0.00 C ATOM 1194 OG SER A 78 5.373 -13.669 8.390 1.00 0.00 O ATOM 0 H SER A 78 2.785 -12.119 8.337 1.00 0.00 H new ATOM 0 HA SER A 78 5.327 -11.407 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.683 -13.967 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.178 -13.844 6.348 1.00 0.00 H new ATOM 0 HG SER A 78 5.519 -14.631 8.503 1.00 0.00 H new ATOM 1200 N LEU A 79 3.086 -10.614 5.435 1.00 0.00 N ATOM 1201 CA LEU A 79 2.497 -10.267 4.146 1.00 0.00 C ATOM 1202 C LEU A 79 3.578 -9.894 3.136 1.00 0.00 C ATOM 1203 O LEU A 79 4.385 -8.991 3.359 1.00 0.00 O ATOM 1204 CB LEU A 79 1.512 -9.108 4.308 1.00 0.00 C ATOM 1205 CG LEU A 79 0.520 -8.905 3.162 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.252 -8.531 1.883 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.317 -10.158 2.954 1.00 0.00 C ATOM 0 H LEU A 79 2.875 -9.956 6.186 1.00 0.00 H new ATOM 0 HA LEU A 79 1.962 -11.140 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.947 -9.263 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.082 -8.188 4.436 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.149 -8.086 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.530 -8.391 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.807 -7.606 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.945 -9.328 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.017 -9.996 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.337 -10.996 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.871 -10.381 3.866 1.00 0.00 H new ATOM 1219 N PRO A 80 3.594 -10.601 1.997 1.00 0.00 N ATOM 1220 CA PRO A 80 4.568 -10.360 0.929 1.00 0.00 C ATOM 1221 C PRO A 80 4.331 -9.034 0.216 1.00 0.00 C ATOM 1222 O PRO A 80 3.203 -8.545 0.151 1.00 0.00 O ATOM 1223 CB PRO A 80 4.340 -11.531 -0.031 1.00 0.00 C ATOM 1224 CG PRO A 80 2.929 -11.945 0.206 1.00 0.00 C ATOM 1225 CD PRO A 80 2.661 -11.691 1.664 1.00 0.00 C ATOM 0 HA PRO A 80 5.586 -10.298 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.496 -11.230 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.032 -12.349 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.244 -11.374 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.785 -12.997 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.625 -11.400 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.848 -12.579 2.268 1.00 0.00 H new ATOM 1233 N LYS A 81 5.401 -8.454 -0.318 1.00 0.00 N ATOM 1234 CA LYS A 81 5.310 -7.184 -1.029 1.00 0.00 C ATOM 1235 C LYS A 81 4.243 -7.245 -2.118 1.00 0.00 C ATOM 1236 O LYS A 81 3.419 -6.341 -2.243 1.00 0.00 O ATOM 1237 CB LYS A 81 6.663 -6.823 -1.645 1.00 0.00 C ATOM 1238 CG LYS A 81 7.677 -6.318 -0.632 1.00 0.00 C ATOM 1239 CD LYS A 81 9.100 -6.488 -1.136 1.00 0.00 C ATOM 1240 CE LYS A 81 10.117 -6.058 -0.090 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.480 -5.908 -0.671 1.00 0.00 N ATOM 0 H LYS A 81 6.342 -8.844 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 81 5.028 -6.414 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.070 -7.701 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.513 -6.059 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.488 -5.266 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.555 -6.859 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.270 -7.531 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.239 -5.900 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.805 -5.112 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.144 -6.793 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.144 -5.614 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.789 -6.817 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.460 -5.188 -1.421 1.00 0.00 H new ATOM 1255 N GLU A 82 4.266 -8.319 -2.902 1.00 0.00 N ATOM 1256 CA GLU A 82 3.300 -8.497 -3.980 1.00 0.00 C ATOM 1257 C GLU A 82 1.891 -8.143 -3.512 1.00 0.00 C ATOM 1258 O GLU A 82 1.261 -7.228 -4.040 1.00 0.00 O ATOM 1259 CB GLU A 82 3.333 -9.938 -4.491 1.00 0.00 C ATOM 1260 CG GLU A 82 4.682 -10.354 -5.054 1.00 0.00 C ATOM 1261 CD GLU A 82 5.613 -10.903 -3.991 1.00 0.00 C ATOM 1262 OE1 GLU A 82 5.247 -11.907 -3.344 1.00 0.00 O ATOM 1263 OE2 GLU A 82 6.707 -10.331 -3.806 1.00 0.00 O ATOM 0 H GLU A 82 4.942 -9.078 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 82 3.573 -7.825 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.066 -10.610 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.574 -10.058 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.532 -11.109 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.151 -9.496 -5.535 1.00 0.00 H new ATOM 1270 N ALA A 83 1.403 -8.877 -2.517 1.00 0.00 N ATOM 1271 CA ALA A 83 0.070 -8.641 -1.976 1.00 0.00 C ATOM 1272 C ALA A 83 -0.039 -7.244 -1.375 1.00 0.00 C ATOM 1273 O ALA A 83 -1.052 -6.566 -1.538 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.270 -9.695 -0.933 1.00 0.00 C ATOM 0 H ALA A 83 1.911 -9.640 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.646 -8.712 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.268 -9.507 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.242 -10.683 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.456 -9.651 -0.121 1.00 0.00 H new ATOM 1280 N ALA A 84 1.011 -6.821 -0.678 1.00 0.00 N ATOM 1281 CA ALA A 84 1.033 -5.504 -0.054 1.00 0.00 C ATOM 1282 C ALA A 84 0.604 -4.422 -1.039 1.00 0.00 C ATOM 1283 O ALA A 84 -0.305 -3.640 -0.759 1.00 0.00 O ATOM 1284 CB ALA A 84 2.421 -5.202 0.493 1.00 0.00 C ATOM 0 H ALA A 84 1.857 -7.371 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 84 0.322 -5.509 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.423 -4.215 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.690 -5.952 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.145 -5.222 -0.321 1.00 0.00 H new ATOM 1290 N ARG A 85 1.262 -4.383 -2.192 1.00 0.00 N ATOM 1291 CA ARG A 85 0.949 -3.396 -3.218 1.00 0.00 C ATOM 1292 C ARG A 85 -0.508 -3.509 -3.655 1.00 0.00 C ATOM 1293 O ARG A 85 -1.173 -2.502 -3.897 1.00 0.00 O ATOM 1294 CB ARG A 85 1.871 -3.574 -4.426 1.00 0.00 C ATOM 1295 CG ARG A 85 3.317 -3.195 -4.150 1.00 0.00 C ATOM 1296 CD ARG A 85 4.142 -3.179 -5.427 1.00 0.00 C ATOM 1297 NE ARG A 85 4.672 -4.501 -5.752 1.00 0.00 N ATOM 1298 CZ ARG A 85 3.989 -5.422 -6.423 1.00 0.00 C ATOM 1299 NH1 ARG A 85 2.756 -5.167 -6.838 1.00 0.00 N ATOM 1300 NH2 ARG A 85 4.540 -6.601 -6.680 1.00 0.00 N ATOM 0 H ARG A 85 2.016 -5.024 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 85 1.107 -2.405 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.833 -4.614 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.496 -2.968 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.353 -2.212 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.751 -3.903 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.526 -2.822 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.967 -2.475 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 85 5.618 -4.729 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.329 -4.262 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.234 -5.876 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.488 -6.801 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.015 -7.308 -7.195 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.996 -4.741 -3.754 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.374 -4.986 -4.164 1.00 0.00 C ATOM 1316 C GLN A 86 -3.355 -4.366 -3.173 1.00 0.00 C ATOM 1317 O GLN A 86 -4.357 -3.771 -3.567 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.634 -6.488 -4.284 1.00 0.00 C ATOM 1319 CG GLN A 86 -4.103 -6.840 -4.459 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.572 -6.690 -5.893 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.543 -7.644 -6.671 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.008 -5.488 -6.251 1.00 0.00 N ATOM 0 H GLN A 86 -0.458 -5.585 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.525 -4.520 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.072 -6.879 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.253 -6.986 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.268 -7.867 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.705 -6.200 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.015 -4.725 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.336 -5.327 -7.203 1.00 0.00 H new ATOM 1331 N ASN A 87 -3.058 -4.511 -1.886 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.915 -3.966 -0.839 1.00 0.00 C ATOM 1333 C ASN A 87 -3.864 -2.441 -0.833 1.00 0.00 C ATOM 1334 O ASN A 87 -4.891 -1.776 -0.699 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.490 -4.506 0.528 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.912 -5.948 0.736 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.057 -6.226 1.092 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.985 -6.873 0.515 1.00 0.00 N ATOM 0 H ASN A 87 -2.232 -5.001 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.939 -4.277 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.407 -4.429 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.925 -3.886 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.210 -7.860 0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.048 -6.596 0.221 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.662 -1.894 -0.981 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.477 -0.448 -0.991 1.00 0.00 C ATOM 1347 C TYR A 88 -3.314 0.201 -2.090 1.00 0.00 C ATOM 1348 O TYR A 88 -4.076 1.135 -1.836 1.00 0.00 O ATOM 1349 CB TYR A 88 -1.000 -0.103 -1.190 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.702 1.375 -1.078 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.173 2.272 -2.029 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.049 1.874 -0.021 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.903 3.623 -1.931 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.323 3.224 0.085 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.155 4.095 -0.873 1.00 0.00 C ATOM 1356 OH TYR A 88 0.115 5.440 -0.771 1.00 0.00 O ATOM 0 H TYR A 88 -1.802 -2.430 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.808 -0.059 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.407 -0.641 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.682 -0.456 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.760 1.907 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.425 1.195 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.276 4.307 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.908 3.596 0.913 1.00 0.00 H new ATOM 0 HH TYR A 88 0.652 5.606 0.032 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.167 -0.302 -3.311 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.910 0.226 -4.449 1.00 0.00 C ATOM 1368 C VAL A 89 -5.410 0.023 -4.268 1.00 0.00 C ATOM 1369 O VAL A 89 -6.202 0.941 -4.487 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.468 -0.440 -5.766 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -2.008 -0.130 -6.057 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.702 -1.942 -5.707 1.00 0.00 C ATOM 0 H VAL A 89 -2.540 -1.074 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.694 1.293 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.069 -0.033 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.714 -0.609 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.875 0.948 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.387 -0.507 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.384 -2.397 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.127 -2.368 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.762 -2.139 -5.549 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.794 -1.184 -3.868 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.200 -1.507 -3.655 1.00 0.00 C ATOM 1384 C ASP A 90 -7.904 -0.394 -2.885 1.00 0.00 C ATOM 1385 O ASP A 90 -9.081 -0.115 -3.114 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.332 -2.830 -2.899 1.00 0.00 C ATOM 1387 CG ASP A 90 -7.348 -4.029 -3.827 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -6.712 -3.958 -4.899 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -7.996 -5.038 -3.480 1.00 0.00 O ATOM 0 H ASP A 90 -5.152 -1.955 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.676 -1.605 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.503 -2.928 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.249 -2.818 -2.310 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.176 0.237 -1.971 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.730 1.320 -1.166 1.00 0.00 C ATOM 1396 C LEU A 91 -7.900 2.587 -1.999 1.00 0.00 C ATOM 1397 O LEU A 91 -9.015 3.070 -2.193 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.826 1.604 0.035 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.350 2.628 1.042 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.336 4.024 0.440 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.753 2.256 1.500 1.00 0.00 C ATOM 0 H LEU A 91 -6.201 0.018 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.711 1.008 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.648 0.666 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.861 1.950 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.693 2.623 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.712 4.739 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.316 4.291 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.970 4.044 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.110 2.996 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.422 2.232 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.733 1.274 1.972 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.786 3.118 -2.492 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.811 4.326 -3.308 1.00 0.00 C ATOM 1415 C VAL A 92 -7.952 4.283 -4.319 1.00 0.00 C ATOM 1416 O VAL A 92 -8.590 5.299 -4.594 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.481 4.525 -4.059 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.541 5.770 -4.931 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.322 4.606 -3.077 1.00 0.00 C ATOM 0 H VAL A 92 -5.855 2.731 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.964 5.164 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.318 3.665 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.593 5.894 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.346 5.666 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.728 6.643 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.390 4.747 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.476 5.447 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.268 3.682 -2.501 1.00 0.00 H new ATOM 1429 N SER A 93 -8.203 3.100 -4.869 1.00 0.00 N ATOM 1430 CA SER A 93 -9.265 2.924 -5.853 1.00 0.00 C ATOM 1431 C SER A 93 -10.636 3.116 -5.212 1.00 0.00 C ATOM 1432 O SER A 93 -11.558 3.638 -5.838 1.00 0.00 O ATOM 1433 CB SER A 93 -9.176 1.535 -6.488 1.00 0.00 C ATOM 1434 OG SER A 93 -9.985 1.452 -7.648 1.00 0.00 O ATOM 0 H SER A 93 -7.686 2.249 -4.650 1.00 0.00 H new ATOM 0 HA SER A 93 -9.137 3.679 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.140 1.316 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.491 0.781 -5.767 1.00 0.00 H new ATOM 0 HG SER A 93 -9.910 0.555 -8.036 1.00 0.00 H new ATOM 1440 N SER A 94 -10.762 2.690 -3.960 1.00 0.00 N ATOM 1441 CA SER A 94 -12.021 2.811 -3.234 1.00 0.00 C ATOM 1442 C SER A 94 -12.406 4.276 -3.055 1.00 0.00 C ATOM 1443 O SER A 94 -13.574 4.644 -3.186 1.00 0.00 O ATOM 1444 CB SER A 94 -11.914 2.129 -1.868 1.00 0.00 C ATOM 1445 OG SER A 94 -13.198 1.865 -1.329 1.00 0.00 O ATOM 0 H SER A 94 -10.008 2.258 -3.427 1.00 0.00 H new ATOM 0 HA SER A 94 -12.798 2.318 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.358 1.196 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.352 2.765 -1.183 1.00 0.00 H new ATOM 0 HG SER A 94 -13.103 1.428 -0.457 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.416 5.109 -2.754 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.649 6.535 -2.557 1.00 0.00 C ATOM 1453 C LEU A 95 -12.214 7.175 -3.821 1.00 0.00 C ATOM 1454 O LEU A 95 -13.183 7.933 -3.766 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.349 7.234 -2.156 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.797 6.883 -0.773 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.359 7.357 -0.637 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.667 7.491 0.318 1.00 0.00 C ATOM 0 H LEU A 95 -10.444 4.821 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.379 6.651 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.588 6.997 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.511 8.311 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.813 5.799 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.983 7.099 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.744 6.875 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.318 8.438 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.260 7.231 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.683 8.575 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.682 7.102 0.233 1.00 0.00 H new ATOM 1470 N SER A 96 -11.603 6.863 -4.960 1.00 0.00 N ATOM 1471 CA SER A 96 -12.045 7.408 -6.238 1.00 0.00 C ATOM 1472 C SER A 96 -13.250 6.639 -6.770 1.00 0.00 C ATOM 1473 O SER A 96 -13.323 5.413 -6.684 1.00 0.00 O ATOM 1474 CB SER A 96 -10.905 7.361 -7.258 1.00 0.00 C ATOM 1475 OG SER A 96 -9.983 8.416 -7.042 1.00 0.00 O ATOM 0 H SER A 96 -10.801 6.236 -5.023 1.00 0.00 H new ATOM 0 HA SER A 96 -12.340 8.445 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.389 6.403 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.312 7.431 -8.267 1.00 0.00 H new ATOM 0 HG SER A 96 -9.089 8.132 -7.325 1.00 0.00 H new ATOM 1481 N PRO A 97 -14.219 7.375 -7.334 1.00 0.00 N ATOM 1482 CA PRO A 97 -15.439 6.784 -7.891 1.00 0.00 C ATOM 1483 C PRO A 97 -15.169 5.989 -9.164 1.00 0.00 C ATOM 1484 O PRO A 97 -15.585 4.837 -9.288 1.00 0.00 O ATOM 1485 CB PRO A 97 -16.315 8.002 -8.198 1.00 0.00 C ATOM 1486 CG PRO A 97 -15.352 9.122 -8.393 1.00 0.00 C ATOM 1487 CD PRO A 97 -14.198 8.841 -7.470 1.00 0.00 C ATOM 0 HA PRO A 97 -15.898 6.073 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.920 7.840 -9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.004 8.210 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -15.019 9.174 -9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.815 10.080 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.255 9.192 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -14.324 9.336 -6.507 1.00 0.00 H new ATOM 1495 N SER A 98 -14.469 6.611 -10.107 1.00 0.00 N ATOM 1496 CA SER A 98 -14.146 5.962 -11.373 1.00 0.00 C ATOM 1497 C SER A 98 -12.932 6.616 -12.025 1.00 0.00 C ATOM 1498 O SER A 98 -12.895 7.833 -12.215 1.00 0.00 O ATOM 1499 CB SER A 98 -15.344 6.022 -12.322 1.00 0.00 C ATOM 1500 OG SER A 98 -16.211 4.919 -12.120 1.00 0.00 O ATOM 0 H SER A 98 -14.115 7.563 -10.019 1.00 0.00 H new ATOM 0 HA SER A 98 -13.907 4.919 -11.167 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.891 6.952 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.994 6.029 -13.354 1.00 0.00 H new ATOM 0 HG SER A 98 -16.194 4.658 -11.175 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.940 5.801 -12.366 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.723 6.300 -12.997 1.00 0.00 C ATOM 1508 C LEU A 99 -10.073 5.219 -13.855 1.00 0.00 C ATOM 1509 O LEU A 99 -10.075 4.043 -13.494 1.00 0.00 O ATOM 1510 CB LEU A 99 -9.736 6.786 -11.934 1.00 0.00 C ATOM 1511 CG LEU A 99 -9.860 8.254 -11.524 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -9.262 8.474 -10.143 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -9.186 9.153 -12.549 1.00 0.00 C ATOM 0 H LEU A 99 -11.954 4.792 -12.216 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.993 7.136 -13.642 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.859 6.169 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.724 6.617 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.918 8.513 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.359 9.524 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.790 7.858 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.208 8.198 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.284 10.194 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.130 8.894 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.660 9.016 -13.521 1.00 0.00 H new ATOM 1525 N GLU A 100 -9.515 5.628 -14.991 1.00 0.00 N ATOM 1526 CA GLU A 100 -8.860 4.694 -15.899 1.00 0.00 C ATOM 1527 C GLU A 100 -7.651 4.045 -15.232 1.00 0.00 C ATOM 1528 O GLU A 100 -6.557 4.609 -15.222 1.00 0.00 O ATOM 1529 CB GLU A 100 -8.427 5.411 -17.179 1.00 0.00 C ATOM 1530 CG GLU A 100 -9.589 5.870 -18.043 1.00 0.00 C ATOM 1531 CD GLU A 100 -9.163 6.227 -19.454 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -8.126 6.906 -19.606 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -9.866 5.826 -20.405 1.00 0.00 O ATOM 0 H GLU A 100 -9.504 6.599 -15.304 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.576 3.912 -16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.819 6.276 -16.913 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.793 4.743 -17.763 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.340 5.081 -18.083 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.061 6.737 -17.580 1.00 0.00 H new ATOM 1540 N SER A 101 -7.856 2.855 -14.676 1.00 0.00 N ATOM 1541 CA SER A 101 -6.785 2.130 -14.003 1.00 0.00 C ATOM 1542 C SER A 101 -5.565 1.999 -14.910 1.00 0.00 C ATOM 1543 O SER A 101 -4.434 2.231 -14.484 1.00 0.00 O ATOM 1544 CB SER A 101 -7.269 0.743 -13.575 1.00 0.00 C ATOM 1545 OG SER A 101 -8.301 0.839 -12.609 1.00 0.00 O ATOM 0 H SER A 101 -8.755 2.372 -14.679 1.00 0.00 H new ATOM 0 HA SER A 101 -6.498 2.695 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.631 0.196 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.435 0.174 -13.165 1.00 0.00 H new ATOM 0 HG SER A 101 -8.594 -0.060 -12.353 1.00 0.00 H new ATOM 1551 N SER A 102 -5.805 1.624 -16.162 1.00 0.00 N ATOM 1552 CA SER A 102 -4.726 1.457 -17.130 1.00 0.00 C ATOM 1553 C SER A 102 -4.071 2.797 -17.449 1.00 0.00 C ATOM 1554 O SER A 102 -4.719 3.843 -17.409 1.00 0.00 O ATOM 1555 CB SER A 102 -5.259 0.818 -18.414 1.00 0.00 C ATOM 1556 OG SER A 102 -4.278 0.832 -19.436 1.00 0.00 O ATOM 0 H SER A 102 -6.736 1.430 -16.530 1.00 0.00 H new ATOM 0 HA SER A 102 -3.975 0.801 -16.691 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.565 -0.209 -18.213 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.146 1.355 -18.750 1.00 0.00 H new ATOM 0 HG SER A 102 -4.643 0.417 -20.245 1.00 0.00 H new ATOM 1562 N SER A 103 -2.781 2.757 -17.767 1.00 0.00 N ATOM 1563 CA SER A 103 -2.035 3.968 -18.090 1.00 0.00 C ATOM 1564 C SER A 103 -1.532 3.928 -19.530 1.00 0.00 C ATOM 1565 O SER A 103 -1.709 4.883 -20.286 1.00 0.00 O ATOM 1566 CB SER A 103 -0.856 4.138 -17.130 1.00 0.00 C ATOM 1567 OG SER A 103 -1.249 4.828 -15.957 1.00 0.00 O ATOM 0 H SER A 103 -2.231 1.899 -17.808 1.00 0.00 H new ATOM 0 HA SER A 103 -2.707 4.819 -17.982 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.456 3.160 -16.863 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.055 4.685 -17.626 1.00 0.00 H new ATOM 0 HG SER A 103 -0.478 4.922 -15.359 1.00 0.00 H new ATOM 1573 N GLN A 104 -0.904 2.817 -19.900 1.00 0.00 N ATOM 1574 CA GLN A 104 -0.374 2.652 -21.248 1.00 0.00 C ATOM 1575 C GLN A 104 -1.081 1.513 -21.976 1.00 0.00 C ATOM 1576 O GLN A 104 -1.495 0.531 -21.360 1.00 0.00 O ATOM 1577 CB GLN A 104 1.131 2.384 -21.198 1.00 0.00 C ATOM 1578 CG GLN A 104 1.967 3.642 -21.024 1.00 0.00 C ATOM 1579 CD GLN A 104 3.294 3.371 -20.342 1.00 0.00 C ATOM 1580 OE1 GLN A 104 4.357 3.680 -20.881 1.00 0.00 O ATOM 1581 NE2 GLN A 104 3.238 2.792 -19.149 1.00 0.00 N ATOM 0 H GLN A 104 -0.750 2.018 -19.285 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.553 3.576 -21.797 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.343 1.700 -20.376 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.433 1.881 -22.117 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.150 4.090 -22.001 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.404 4.370 -20.439 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.335 2.553 -18.740 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.098 2.586 -18.641 1.00 0.00 H new ATOM 1590 N VAL A 105 -1.217 1.652 -23.291 1.00 0.00 N ATOM 1591 CA VAL A 105 -1.873 0.634 -24.103 1.00 0.00 C ATOM 1592 C VAL A 105 -0.871 -0.399 -24.605 1.00 0.00 C ATOM 1593 O VAL A 105 0.006 -0.087 -25.409 1.00 0.00 O ATOM 1594 CB VAL A 105 -2.597 1.260 -25.310 1.00 0.00 C ATOM 1595 CG1 VAL A 105 -3.226 0.179 -26.175 1.00 0.00 C ATOM 1596 CG2 VAL A 105 -3.646 2.259 -24.843 1.00 0.00 C ATOM 0 H VAL A 105 -0.882 2.459 -23.816 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.606 0.143 -23.463 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.864 1.794 -25.914 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.733 0.640 -27.023 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.449 -0.494 -26.539 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.947 -0.386 -25.584 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.148 2.691 -25.709 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.378 1.751 -24.216 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.164 3.051 -24.270 1.00 0.00 H new ATOM 1606 N GLU A 106 -1.009 -1.631 -24.125 1.00 0.00 N ATOM 1607 CA GLU A 106 -0.114 -2.711 -24.525 1.00 0.00 C ATOM 1608 C GLU A 106 -0.901 -3.879 -25.113 1.00 0.00 C ATOM 1609 O GLU A 106 -2.094 -4.047 -24.860 1.00 0.00 O ATOM 1610 CB GLU A 106 0.712 -3.188 -23.329 1.00 0.00 C ATOM 1611 CG GLU A 106 2.014 -2.427 -23.147 1.00 0.00 C ATOM 1612 CD GLU A 106 2.585 -2.575 -21.750 1.00 0.00 C ATOM 1613 OE1 GLU A 106 1.793 -2.732 -20.798 1.00 0.00 O ATOM 1614 OE2 GLU A 106 3.826 -2.533 -21.609 1.00 0.00 O ATOM 0 H GLU A 106 -1.731 -1.906 -23.459 1.00 0.00 H new ATOM 0 HA GLU A 106 0.559 -2.326 -25.291 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.114 -3.090 -22.423 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.934 -4.248 -23.451 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.744 -2.784 -23.874 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.846 -1.371 -23.357 1.00 0.00 H new ATOM 1621 N PRO A 107 -0.217 -4.706 -25.918 1.00 0.00 N ATOM 1622 CA PRO A 107 -0.831 -5.873 -26.559 1.00 0.00 C ATOM 1623 C PRO A 107 -1.174 -6.971 -25.558 1.00 0.00 C ATOM 1624 O PRO A 107 -2.193 -7.647 -25.688 1.00 0.00 O ATOM 1625 CB PRO A 107 0.250 -6.353 -27.530 1.00 0.00 C ATOM 1626 CG PRO A 107 1.530 -5.869 -26.943 1.00 0.00 C ATOM 1627 CD PRO A 107 1.207 -4.567 -26.263 1.00 0.00 C ATOM 0 HA PRO A 107 -1.776 -5.623 -27.041 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.243 -7.439 -27.624 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.094 -5.946 -28.529 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.931 -6.591 -26.232 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.286 -5.729 -27.716 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.822 -4.413 -25.376 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.380 -3.716 -26.922 1.00 0.00 H new ATOM 1635 N GLY A 108 -0.315 -7.143 -24.558 1.00 0.00 N ATOM 1636 CA GLY A 108 -0.545 -8.161 -23.549 1.00 0.00 C ATOM 1637 C GLY A 108 0.746 -8.709 -22.973 1.00 0.00 C ATOM 1638 O GLY A 108 1.515 -9.371 -23.671 1.00 0.00 O ATOM 0 H GLY A 108 0.536 -6.596 -24.428 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.149 -7.741 -22.744 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.120 -8.978 -23.986 1.00 0.00 H new ATOM 1642 N THR A 109 0.987 -8.431 -21.695 1.00 0.00 N ATOM 1643 CA THR A 109 2.195 -8.899 -21.027 1.00 0.00 C ATOM 1644 C THR A 109 1.864 -9.916 -19.941 1.00 0.00 C ATOM 1645 O THR A 109 1.386 -9.556 -18.865 1.00 0.00 O ATOM 1646 CB THR A 109 2.977 -7.730 -20.398 1.00 0.00 C ATOM 1647 OG1 THR A 109 2.211 -7.140 -19.342 1.00 0.00 O ATOM 1648 CG2 THR A 109 3.306 -6.675 -21.443 1.00 0.00 C ATOM 0 H THR A 109 0.362 -7.884 -21.103 1.00 0.00 H new ATOM 0 HA THR A 109 2.814 -9.373 -21.789 1.00 0.00 H new ATOM 0 HB THR A 109 3.910 -8.122 -19.994 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.714 -7.839 -18.868 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.858 -5.860 -20.976 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.914 -7.120 -22.231 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.382 -6.288 -21.873 1.00 0.00 H new ATOM 1656 N ASP A 110 2.121 -11.187 -20.229 1.00 0.00 N ATOM 1657 CA ASP A 110 1.852 -12.257 -19.276 1.00 0.00 C ATOM 1658 C ASP A 110 2.964 -13.301 -19.303 1.00 0.00 C ATOM 1659 O ASP A 110 3.283 -13.856 -20.355 1.00 0.00 O ATOM 1660 CB ASP A 110 0.507 -12.917 -19.584 1.00 0.00 C ATOM 1661 CG ASP A 110 -0.610 -11.906 -19.749 1.00 0.00 C ATOM 1662 OD1 ASP A 110 -0.688 -11.277 -20.825 1.00 0.00 O ATOM 1663 OD2 ASP A 110 -1.408 -11.745 -18.802 1.00 0.00 O ATOM 0 H ASP A 110 2.516 -11.502 -21.115 1.00 0.00 H new ATOM 0 HA ASP A 110 1.813 -11.820 -18.278 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.596 -13.508 -20.496 1.00 0.00 H new ATOM 0 HB3 ASP A 110 0.252 -13.608 -18.780 1.00 0.00 H new ATOM 1668 N SER A 111 3.551 -13.564 -18.140 1.00 0.00 N ATOM 1669 CA SER A 111 4.630 -14.538 -18.031 1.00 0.00 C ATOM 1670 C SER A 111 4.674 -15.146 -16.632 1.00 0.00 C ATOM 1671 O SER A 111 4.861 -14.440 -15.642 1.00 0.00 O ATOM 1672 CB SER A 111 5.973 -13.881 -18.356 1.00 0.00 C ATOM 1673 OG SER A 111 6.412 -13.060 -17.287 1.00 0.00 O ATOM 0 H SER A 111 3.297 -13.116 -17.260 1.00 0.00 H new ATOM 0 HA SER A 111 4.440 -15.336 -18.749 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.718 -14.650 -18.557 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.879 -13.283 -19.263 1.00 0.00 H new ATOM 0 HG SER A 111 5.779 -13.126 -16.542 1.00 0.00 H new ATOM 1679 N GLY A 112 4.500 -16.462 -16.560 1.00 0.00 N ATOM 1680 CA GLY A 112 4.523 -17.144 -15.279 1.00 0.00 C ATOM 1681 C GLY A 112 3.167 -17.703 -14.896 1.00 0.00 C ATOM 1682 O GLY A 112 2.318 -17.968 -15.747 1.00 0.00 O ATOM 0 H GLY A 112 4.344 -17.068 -17.365 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.250 -17.955 -15.316 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.858 -16.451 -14.508 1.00 0.00 H new ATOM 1686 N PRO A 113 2.949 -17.891 -13.586 1.00 0.00 N ATOM 1687 CA PRO A 113 1.689 -18.425 -13.062 1.00 0.00 C ATOM 1688 C PRO A 113 0.535 -17.439 -13.212 1.00 0.00 C ATOM 1689 O PRO A 113 0.422 -16.479 -12.450 1.00 0.00 O ATOM 1690 CB PRO A 113 1.995 -18.668 -11.582 1.00 0.00 C ATOM 1691 CG PRO A 113 3.096 -17.717 -11.261 1.00 0.00 C ATOM 1692 CD PRO A 113 3.917 -17.596 -12.515 1.00 0.00 C ATOM 0 HA PRO A 113 1.371 -19.319 -13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.119 -18.483 -10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.299 -19.700 -11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.699 -16.748 -10.959 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.701 -18.085 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 113 4.343 -16.598 -12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.749 -18.300 -12.520 1.00 0.00 H new ATOM 1700 N SER A 114 -0.321 -17.684 -14.199 1.00 0.00 N ATOM 1701 CA SER A 114 -1.465 -16.816 -14.451 1.00 0.00 C ATOM 1702 C SER A 114 -2.341 -16.696 -13.208 1.00 0.00 C ATOM 1703 O SER A 114 -2.676 -15.594 -12.774 1.00 0.00 O ATOM 1704 CB SER A 114 -2.292 -17.352 -15.622 1.00 0.00 C ATOM 1705 OG SER A 114 -1.700 -17.010 -16.863 1.00 0.00 O ATOM 0 H SER A 114 -0.244 -18.476 -14.837 1.00 0.00 H new ATOM 0 HA SER A 114 -1.088 -15.825 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 114 -2.379 -18.436 -15.544 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.303 -16.946 -15.573 1.00 0.00 H new ATOM 0 HG SER A 114 -2.246 -17.365 -17.595 1.00 0.00 H new ATOM 1711 N SER A 115 -2.709 -17.840 -12.639 1.00 0.00 N ATOM 1712 CA SER A 115 -3.550 -17.866 -11.448 1.00 0.00 C ATOM 1713 C SER A 115 -2.717 -17.630 -10.191 1.00 0.00 C ATOM 1714 O SER A 115 -3.017 -16.745 -9.391 1.00 0.00 O ATOM 1715 CB SER A 115 -4.284 -19.204 -11.344 1.00 0.00 C ATOM 1716 OG SER A 115 -5.312 -19.147 -10.371 1.00 0.00 O ATOM 0 H SER A 115 -2.438 -18.761 -12.984 1.00 0.00 H new ATOM 0 HA SER A 115 -4.284 -17.064 -11.533 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.710 -19.465 -12.313 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.576 -19.991 -11.084 1.00 0.00 H new ATOM 0 HG SER A 115 -5.767 -20.014 -10.325 1.00 0.00 H new ATOM 1722 N GLY A 116 -1.669 -18.431 -10.024 1.00 0.00 N ATOM 1723 CA GLY A 116 -0.809 -18.296 -8.863 1.00 0.00 C ATOM 1724 C GLY A 116 -0.174 -19.610 -8.455 1.00 0.00 C ATOM 1725 O GLY A 116 -0.206 -19.985 -7.284 1.00 0.00 O ATOM 0 H GLY A 116 -1.400 -19.171 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.026 -17.569 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.390 -17.902 -8.029 1.00 0.00 H new TER 1729 GLY A 116