USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 679 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 NoAdj-H: A 81 ASNHD22 : A 81 ASN ND2 : A 85 GLN CG :(H bumps) USER MOD Set 1.1: A 91 THR OG1 : rot -119:sc= 0.444 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.356 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -5.39! C(o=-11!,f=-8.2!) USER MOD Set 2.2: A 98 ASN : amide:sc= -5.47! C(o=-11!,f=-6.3!) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -11.7! C(o=-12!,f=-20!) USER MOD Set 3.2: A 57 TYR OH : rot -135:sc= -0.76! USER MOD Set 4.1: A 41 LYS NZ :NH3+ -147:sc= -0.17 (180deg=0) USER MOD Set 4.2: A 43 ASN : amide:sc= -2.99 K(o=-3.2,f=-1.3) USER MOD Set 5.1: A 24 TYR OH : rot -76:sc= 0.0411 USER MOD Set 5.2: A 83 ASN : amide:sc= -15.1! C(o=-17!,f=-5!) USER MOD Set 5.3: A 84 ASN : amide:sc= -1.48 K(o=-17,f=-5.8!) USER MOD Set 6.1: A 12 SER OG : rot 180:sc= -0.848! USER MOD Set 6.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 6 CYS SG : rot -32:sc= -24.4! USER MOD Set 7.2: A 9 ASN : amide:sc= -22.7! C(o=-92!,f=-98!) USER MOD Set 7.3: A 11 TYR OH : rot -174:sc= -6.66! USER MOD Set 7.4: A 63 SER OG : rot -95:sc= 0.457 USER MOD Set 7.5: A 103 CYS SG : rot 176:sc= -39.1! USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.162 (180deg=0) USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -72:sc= 0.367 USER MOD Single : A 8 SER OG : rot 62:sc= 1.19 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -19! C(o=-19!,f=-26!) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.83! C(o=-2.8!,f=-4.6!) USER MOD Single : A 37 SER OG : rot 66:sc= 1.18 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -8.98! C(o=-9!,f=-9.6!) USER MOD Single : A 42 TYR OH : rot -122:sc= -4.4! USER MOD Single : A 44 ASN : amide:sc= -4.51! C(o=-4.5!,f=-1.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -84:sc= -5.16! USER MOD Single : A 69 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 72 SER OG : rot 38:sc= 0.863 USER MOD Single : A 85 GLN : amide:sc= -81.1! C(o=-81!,f=-85!) USER MOD Single : A 96 SER OG : rot -2:sc= 0.858 USER MOD Single : A 99 ASN : amide:sc= -16.3! C(o=-16!,f=-9.8!) USER MOD Single : A 104 THR OG1 : rot -81:sc= -0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.547 -14.013 -7.605 1.00 0.00 N ATOM 2 CA ALA A 1 -8.621 -14.710 -6.730 1.00 0.00 C ATOM 3 C ALA A 1 -7.330 -13.898 -6.609 1.00 0.00 C ATOM 4 O ALA A 1 -7.156 -12.896 -7.302 1.00 0.00 O ATOM 5 CB ALA A 1 -8.373 -16.121 -7.269 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.334 -13.630 -7.043 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.052 -13.234 -8.084 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.919 -14.676 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.042 -14.812 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.678 -16.644 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.316 -16.666 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.948 -16.058 -8.271 1.00 0.00 H new ATOM 11 N CYS A 2 -6.458 -14.360 -5.725 1.00 0.00 N ATOM 12 CA CYS A 2 -5.188 -13.688 -5.505 1.00 0.00 C ATOM 13 C CYS A 2 -4.689 -13.152 -6.848 1.00 0.00 C ATOM 14 O CYS A 2 -4.597 -13.896 -7.822 1.00 0.00 O ATOM 15 CB CYS A 2 -4.165 -14.614 -4.844 1.00 0.00 C ATOM 16 SG CYS A 2 -4.696 -16.358 -4.690 1.00 0.00 S ATOM 0 H CYS A 2 -6.606 -15.191 -5.153 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.328 -12.857 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.240 -14.580 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.936 -14.229 -3.850 1.00 0.00 H new ATOM 21 N ASP A 3 -4.380 -11.863 -6.856 1.00 0.00 N ATOM 22 CA ASP A 3 -3.891 -11.219 -8.064 1.00 0.00 C ATOM 23 C ASP A 3 -2.611 -10.446 -7.742 1.00 0.00 C ATOM 24 O ASP A 3 -1.961 -9.913 -8.641 1.00 0.00 O ATOM 25 CB ASP A 3 -4.919 -10.225 -8.611 1.00 0.00 C ATOM 26 CG ASP A 3 -5.856 -10.788 -9.681 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.424 -10.820 -10.854 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.983 -11.175 -9.302 1.00 0.00 O ATOM 0 H ASP A 3 -4.459 -11.248 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.705 -11.993 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.521 -9.854 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.388 -9.369 -9.028 1.00 0.00 H new ATOM 33 N TYR A 4 -2.286 -10.409 -6.458 1.00 0.00 N ATOM 34 CA TYR A 4 -1.095 -9.710 -6.007 1.00 0.00 C ATOM 35 C TYR A 4 -0.308 -10.559 -5.007 1.00 0.00 C ATOM 36 O TYR A 4 -0.507 -10.445 -3.799 1.00 0.00 O ATOM 37 CB TYR A 4 -1.590 -8.443 -5.305 1.00 0.00 C ATOM 38 CG TYR A 4 -2.340 -7.477 -6.223 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.642 -6.697 -7.123 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.715 -7.382 -6.151 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.348 -5.787 -7.987 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.420 -6.472 -7.014 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.702 -5.719 -7.889 1.00 0.00 C ATOM 44 OH TYR A 4 -4.370 -4.859 -8.705 1.00 0.00 O ATOM 0 H TYR A 4 -2.827 -10.852 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.436 -9.492 -6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.245 -8.728 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.736 -7.925 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.566 -6.769 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.262 -7.991 -5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.814 -5.173 -8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.496 -6.389 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.325 -5.081 -8.703 1.00 0.00 H new ATOM 54 N THR A 5 0.572 -11.390 -5.548 1.00 0.00 N ATOM 55 CA THR A 5 1.390 -12.257 -4.717 1.00 0.00 C ATOM 56 C THR A 5 2.768 -11.634 -4.492 1.00 0.00 C ATOM 57 O THR A 5 3.625 -11.677 -5.374 1.00 0.00 O ATOM 58 CB THR A 5 1.446 -13.633 -5.383 1.00 0.00 C ATOM 59 OG1 THR A 5 0.150 -14.180 -5.162 1.00 0.00 O ATOM 60 CG2 THR A 5 2.387 -14.597 -4.658 1.00 0.00 C ATOM 0 H THR A 5 0.736 -11.481 -6.551 1.00 0.00 H new ATOM 0 HA THR A 5 0.957 -12.378 -3.724 1.00 0.00 H new ATOM 0 HB THR A 5 1.769 -13.521 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.055 -14.425 -4.218 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.389 -15.558 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.396 -14.186 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.047 -14.735 -3.632 1.00 0.00 H new ATOM 68 N CYS A 6 2.941 -11.068 -3.307 1.00 0.00 N ATOM 69 CA CYS A 6 4.201 -10.437 -2.955 1.00 0.00 C ATOM 70 C CYS A 6 5.181 -11.529 -2.523 1.00 0.00 C ATOM 71 O CYS A 6 5.607 -11.565 -1.369 1.00 0.00 O ATOM 72 CB CYS A 6 4.017 -9.374 -1.870 1.00 0.00 C ATOM 73 SG CYS A 6 3.488 -7.733 -2.485 1.00 0.00 S ATOM 0 H CYS A 6 2.229 -11.033 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 6 4.603 -9.912 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.280 -9.732 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.957 -9.259 -1.331 1.00 0.00 H new ATOM 0 HG CYS A 6 3.991 -7.530 -3.667 1.00 0.00 H new ATOM 78 N GLY A 7 5.512 -12.392 -3.472 1.00 0.00 N ATOM 79 CA GLY A 7 6.435 -13.483 -3.205 1.00 0.00 C ATOM 80 C GLY A 7 5.796 -14.529 -2.290 1.00 0.00 C ATOM 81 O GLY A 7 5.754 -15.711 -2.627 1.00 0.00 O ATOM 0 H GLY A 7 5.157 -12.358 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.734 -13.949 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.341 -13.093 -2.741 1.00 0.00 H new ATOM 85 N SER A 8 5.313 -14.056 -1.150 1.00 0.00 N ATOM 86 CA SER A 8 4.679 -14.937 -0.184 1.00 0.00 C ATOM 87 C SER A 8 3.338 -14.348 0.260 1.00 0.00 C ATOM 88 O SER A 8 3.092 -14.186 1.454 1.00 0.00 O ATOM 89 CB SER A 8 5.583 -15.168 1.028 1.00 0.00 C ATOM 90 OG SER A 8 5.491 -14.106 1.974 1.00 0.00 O ATOM 0 H SER A 8 5.348 -13.075 -0.874 1.00 0.00 H new ATOM 0 HA SER A 8 4.506 -15.901 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.310 -16.107 1.510 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.616 -15.269 0.696 1.00 0.00 H new ATOM 0 HG SER A 8 4.575 -14.054 2.320 1.00 0.00 H new ATOM 96 N ASN A 9 2.507 -14.043 -0.726 1.00 0.00 N ATOM 97 CA ASN A 9 1.198 -13.476 -0.453 1.00 0.00 C ATOM 98 C ASN A 9 0.184 -14.039 -1.450 1.00 0.00 C ATOM 99 O ASN A 9 0.517 -14.905 -2.257 1.00 0.00 O ATOM 100 CB ASN A 9 1.215 -11.954 -0.606 1.00 0.00 C ATOM 101 CG ASN A 9 2.343 -11.333 0.219 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.123 -10.587 1.160 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.562 -11.678 -0.185 1.00 0.00 N ATOM 0 H ASN A 9 2.715 -14.178 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 9 0.926 -13.734 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.341 -11.692 -1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.257 -11.542 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.382 -11.314 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.677 -12.307 -0.980 1.00 0.00 H new ATOM 110 N CYS A 10 -1.034 -13.524 -1.362 1.00 0.00 N ATOM 111 CA CYS A 10 -2.099 -13.966 -2.247 1.00 0.00 C ATOM 112 C CYS A 10 -3.356 -13.155 -1.927 1.00 0.00 C ATOM 113 O CYS A 10 -4.381 -13.716 -1.544 1.00 0.00 O ATOM 114 CB CYS A 10 -2.346 -15.471 -2.128 1.00 0.00 C ATOM 115 SG CYS A 10 -2.631 -16.331 -3.719 1.00 0.00 S ATOM 0 H CYS A 10 -1.307 -12.805 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.809 -13.793 -3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.489 -15.927 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.210 -15.633 -1.484 1.00 0.00 H new ATOM 120 N TYR A 11 -3.237 -11.846 -2.097 1.00 0.00 N ATOM 121 CA TYR A 11 -4.351 -10.952 -1.832 1.00 0.00 C ATOM 122 C TYR A 11 -4.629 -10.050 -3.037 1.00 0.00 C ATOM 123 O TYR A 11 -3.947 -9.046 -3.235 1.00 0.00 O ATOM 124 CB TYR A 11 -3.921 -10.083 -0.648 1.00 0.00 C ATOM 125 CG TYR A 11 -2.417 -9.807 -0.591 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.731 -9.490 -1.746 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.749 -9.876 0.614 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.315 -9.231 -1.692 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.333 -9.615 0.667 1.00 0.00 C ATOM 130 CZ TYR A 11 0.314 -9.306 -0.489 1.00 0.00 C ATOM 131 OH TYR A 11 1.651 -9.061 -0.438 1.00 0.00 O ATOM 0 H TYR A 11 -2.385 -11.383 -2.415 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.259 -11.520 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.453 -9.133 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.225 -10.572 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.255 -9.436 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.287 -10.125 1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.235 -8.983 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.203 -9.664 1.604 1.00 0.00 H new ATOM 0 HH TYR A 11 1.982 -9.242 0.466 1.00 0.00 H new ATOM 141 N SER A 12 -5.631 -10.442 -3.809 1.00 0.00 N ATOM 142 CA SER A 12 -6.008 -9.681 -4.989 1.00 0.00 C ATOM 143 C SER A 12 -6.521 -8.299 -4.578 1.00 0.00 C ATOM 144 O SER A 12 -6.590 -7.985 -3.391 1.00 0.00 O ATOM 145 CB SER A 12 -7.070 -10.420 -5.804 1.00 0.00 C ATOM 146 OG SER A 12 -8.081 -9.539 -6.288 1.00 0.00 O ATOM 0 H SER A 12 -6.194 -11.276 -3.641 1.00 0.00 H new ATOM 0 HA SER A 12 -5.125 -9.562 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.595 -10.924 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.528 -11.193 -5.187 1.00 0.00 H new ATOM 0 HG SER A 12 -8.739 -10.049 -6.805 1.00 0.00 H new ATOM 152 N SER A 13 -6.866 -7.509 -5.584 1.00 0.00 N ATOM 153 CA SER A 13 -7.371 -6.167 -5.343 1.00 0.00 C ATOM 154 C SER A 13 -8.507 -6.212 -4.320 1.00 0.00 C ATOM 155 O SER A 13 -8.862 -5.190 -3.735 1.00 0.00 O ATOM 156 CB SER A 13 -7.850 -5.517 -6.642 1.00 0.00 C ATOM 157 OG SER A 13 -8.759 -6.353 -7.354 1.00 0.00 O ATOM 0 H SER A 13 -6.806 -7.772 -6.568 1.00 0.00 H new ATOM 0 HA SER A 13 -6.557 -5.561 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.333 -4.567 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.991 -5.295 -7.274 1.00 0.00 H new ATOM 0 HG SER A 13 -9.043 -5.902 -8.176 1.00 0.00 H new ATOM 163 N SER A 14 -9.048 -7.407 -4.136 1.00 0.00 N ATOM 164 CA SER A 14 -10.139 -7.599 -3.194 1.00 0.00 C ATOM 165 C SER A 14 -9.585 -7.731 -1.774 1.00 0.00 C ATOM 166 O SER A 14 -10.255 -7.369 -0.807 1.00 0.00 O ATOM 167 CB SER A 14 -10.970 -8.830 -3.557 1.00 0.00 C ATOM 168 OG SER A 14 -12.085 -8.996 -2.687 1.00 0.00 O ATOM 0 H SER A 14 -8.752 -8.253 -4.623 1.00 0.00 H new ATOM 0 HA SER A 14 -10.792 -6.728 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.322 -8.740 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.340 -9.719 -3.513 1.00 0.00 H new ATOM 0 HG SER A 14 -12.591 -9.792 -2.952 1.00 0.00 H new ATOM 174 N ASP A 15 -8.369 -8.249 -1.693 1.00 0.00 N ATOM 175 CA ASP A 15 -7.719 -8.434 -0.407 1.00 0.00 C ATOM 176 C ASP A 15 -7.052 -7.123 0.016 1.00 0.00 C ATOM 177 O ASP A 15 -7.098 -6.748 1.187 1.00 0.00 O ATOM 178 CB ASP A 15 -6.634 -9.511 -0.487 1.00 0.00 C ATOM 179 CG ASP A 15 -7.103 -10.926 -0.140 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.919 -11.460 -0.920 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.632 -11.440 0.898 1.00 0.00 O ATOM 0 H ASP A 15 -7.816 -8.547 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.478 -8.739 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.223 -9.518 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.821 -9.238 0.186 1.00 0.00 H new ATOM 186 N VAL A 16 -6.448 -6.462 -0.961 1.00 0.00 N ATOM 187 CA VAL A 16 -5.772 -5.202 -0.705 1.00 0.00 C ATOM 188 C VAL A 16 -6.759 -4.219 -0.071 1.00 0.00 C ATOM 189 O VAL A 16 -6.440 -3.570 0.924 1.00 0.00 O ATOM 190 CB VAL A 16 -5.147 -4.671 -1.997 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.514 -3.297 -1.776 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.126 -5.662 -2.559 1.00 0.00 C ATOM 0 H VAL A 16 -6.413 -6.776 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.954 -5.344 0.001 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.943 -4.557 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.077 -2.943 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.278 -2.594 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.735 -3.373 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.697 -5.261 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.334 -5.822 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.619 -6.610 -2.773 1.00 0.00 H new ATOM 202 N SER A 17 -7.937 -4.142 -0.672 1.00 0.00 N ATOM 203 CA SER A 17 -8.972 -3.249 -0.179 1.00 0.00 C ATOM 204 C SER A 17 -8.935 -3.201 1.350 1.00 0.00 C ATOM 205 O SER A 17 -8.882 -2.123 1.940 1.00 0.00 O ATOM 206 CB SER A 17 -10.354 -3.689 -0.663 1.00 0.00 C ATOM 207 OG SER A 17 -11.324 -2.653 -0.524 1.00 0.00 O ATOM 0 H SER A 17 -8.198 -4.683 -1.496 1.00 0.00 H new ATOM 0 HA SER A 17 -8.780 -2.251 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.293 -3.990 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.675 -4.564 -0.097 1.00 0.00 H new ATOM 0 HG SER A 17 -12.193 -2.973 -0.846 1.00 0.00 H new ATOM 213 N THR A 18 -8.966 -4.382 1.949 1.00 0.00 N ATOM 214 CA THR A 18 -8.937 -4.489 3.398 1.00 0.00 C ATOM 215 C THR A 18 -7.816 -3.622 3.974 1.00 0.00 C ATOM 216 O THR A 18 -8.060 -2.775 4.833 1.00 0.00 O ATOM 217 CB THR A 18 -8.808 -5.969 3.760 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.156 -6.418 3.873 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.227 -6.180 5.161 1.00 0.00 C ATOM 0 H THR A 18 -9.011 -5.274 1.457 1.00 0.00 H new ATOM 0 HA THR A 18 -9.858 -4.111 3.841 1.00 0.00 H new ATOM 0 HB THR A 18 -8.177 -6.469 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.165 -7.370 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.156 -7.248 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.234 -5.733 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.877 -5.709 5.899 1.00 0.00 H new ATOM 227 N ALA A 19 -6.611 -3.862 3.478 1.00 0.00 N ATOM 228 CA ALA A 19 -5.451 -3.114 3.933 1.00 0.00 C ATOM 229 C ALA A 19 -5.685 -1.622 3.689 1.00 0.00 C ATOM 230 O ALA A 19 -5.368 -0.793 4.540 1.00 0.00 O ATOM 231 CB ALA A 19 -4.199 -3.632 3.223 1.00 0.00 C ATOM 0 H ALA A 19 -6.413 -4.564 2.765 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.299 -3.253 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.329 -3.071 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.062 -4.689 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.313 -3.506 2.146 1.00 0.00 H new ATOM 237 N GLN A 20 -6.237 -1.325 2.522 1.00 0.00 N ATOM 238 CA GLN A 20 -6.517 0.053 2.155 1.00 0.00 C ATOM 239 C GLN A 20 -7.470 0.689 3.169 1.00 0.00 C ATOM 240 O GLN A 20 -7.167 1.736 3.739 1.00 0.00 O ATOM 241 CB GLN A 20 -7.088 0.138 0.738 1.00 0.00 C ATOM 242 CG GLN A 20 -6.268 -0.710 -0.235 1.00 0.00 C ATOM 243 CD GLN A 20 -7.062 -1.004 -1.510 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.210 -2.139 -1.932 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.562 0.079 -2.098 1.00 0.00 N ATOM 0 H GLN A 20 -6.498 -2.015 1.818 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.580 0.609 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.124 -0.202 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.093 1.176 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.345 -0.188 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.983 -1.647 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.401 1.000 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.107 -0.012 -2.955 1.00 0.00 H new ATOM 254 N ALA A 21 -8.603 0.029 3.364 1.00 0.00 N ATOM 255 CA ALA A 21 -9.601 0.517 4.300 1.00 0.00 C ATOM 256 C ALA A 21 -8.900 1.170 5.493 1.00 0.00 C ATOM 257 O ALA A 21 -9.363 2.186 6.010 1.00 0.00 O ATOM 258 CB ALA A 21 -10.514 -0.636 4.720 1.00 0.00 C ATOM 0 H ALA A 21 -8.851 -0.839 2.890 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.228 1.275 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.263 -0.270 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.011 -1.046 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.920 -1.415 5.197 1.00 0.00 H new ATOM 264 N ALA A 22 -7.795 0.560 5.896 1.00 0.00 N ATOM 265 CA ALA A 22 -7.026 1.069 7.018 1.00 0.00 C ATOM 266 C ALA A 22 -6.264 2.323 6.582 1.00 0.00 C ATOM 267 O ALA A 22 -6.353 3.364 7.232 1.00 0.00 O ATOM 268 CB ALA A 22 -6.094 -0.027 7.538 1.00 0.00 C ATOM 0 H ALA A 22 -7.414 -0.282 5.465 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.686 1.352 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.517 0.355 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.685 -0.884 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.415 -0.335 6.743 1.00 0.00 H new ATOM 274 N GLY A 23 -5.534 2.182 5.486 1.00 0.00 N ATOM 275 CA GLY A 23 -4.758 3.290 4.956 1.00 0.00 C ATOM 276 C GLY A 23 -5.633 4.529 4.762 1.00 0.00 C ATOM 277 O GLY A 23 -5.204 5.646 5.046 1.00 0.00 O ATOM 0 H GLY A 23 -5.463 1.317 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.938 3.522 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.311 3.003 4.004 1.00 0.00 H new ATOM 281 N TYR A 24 -6.845 4.290 4.281 1.00 0.00 N ATOM 282 CA TYR A 24 -7.783 5.373 4.046 1.00 0.00 C ATOM 283 C TYR A 24 -8.339 5.913 5.365 1.00 0.00 C ATOM 284 O TYR A 24 -8.002 7.021 5.779 1.00 0.00 O ATOM 285 CB TYR A 24 -8.929 4.769 3.233 1.00 0.00 C ATOM 286 CG TYR A 24 -10.091 5.733 2.982 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.854 7.089 2.889 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.376 5.245 2.850 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.947 7.997 2.653 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.469 6.153 2.614 1.00 0.00 C ATOM 291 CZ TYR A 24 -12.200 7.483 2.527 1.00 0.00 C ATOM 292 OH TYR A 24 -13.234 8.341 2.305 1.00 0.00 O ATOM 0 H TYR A 24 -7.198 3.362 4.048 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.294 6.199 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.540 4.428 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.306 3.889 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.849 7.470 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.561 4.184 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.776 9.061 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.479 5.786 2.509 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.463 8.800 3.140 1.00 0.00 H new ATOM 302 N LYS A 25 -9.182 5.103 5.990 1.00 0.00 N ATOM 303 CA LYS A 25 -9.789 5.485 7.254 1.00 0.00 C ATOM 304 C LYS A 25 -8.789 6.313 8.064 1.00 0.00 C ATOM 305 O LYS A 25 -9.109 7.412 8.514 1.00 0.00 O ATOM 306 CB LYS A 25 -10.307 4.251 7.994 1.00 0.00 C ATOM 307 CG LYS A 25 -10.248 4.455 9.510 1.00 0.00 C ATOM 308 CD LYS A 25 -8.854 4.136 10.052 1.00 0.00 C ATOM 309 CE LYS A 25 -8.932 3.156 11.224 1.00 0.00 C ATOM 310 NZ LYS A 25 -9.593 3.789 12.386 1.00 0.00 N ATOM 0 H LYS A 25 -9.459 4.184 5.644 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.662 6.115 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.334 4.045 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.712 3.380 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.509 5.485 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.986 3.816 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.240 3.711 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.366 5.056 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.484 2.265 10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.929 2.831 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.562 3.141 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.099 4.672 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.583 4.000 12.149 1.00 0.00 H new ATOM 324 N LEU A 26 -7.599 5.753 8.226 1.00 0.00 N ATOM 325 CA LEU A 26 -6.551 6.427 8.974 1.00 0.00 C ATOM 326 C LEU A 26 -6.127 7.692 8.224 1.00 0.00 C ATOM 327 O LEU A 26 -5.856 8.721 8.840 1.00 0.00 O ATOM 328 CB LEU A 26 -5.396 5.465 9.262 1.00 0.00 C ATOM 329 CG LEU A 26 -4.079 6.111 9.695 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.300 7.088 10.851 1.00 0.00 C ATOM 331 CD2 LEU A 26 -3.033 5.048 10.036 1.00 0.00 C ATOM 0 H LEU A 26 -7.337 4.841 7.852 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.922 6.744 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.712 4.772 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.210 4.873 8.366 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.691 6.688 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.347 7.533 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.987 7.874 10.537 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.723 6.555 11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.106 5.534 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.400 4.424 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.846 4.427 9.160 1.00 0.00 H new ATOM 343 N HIS A 27 -6.083 7.572 6.906 1.00 0.00 N ATOM 344 CA HIS A 27 -5.696 8.693 6.065 1.00 0.00 C ATOM 345 C HIS A 27 -6.715 9.823 6.217 1.00 0.00 C ATOM 346 O HIS A 27 -6.341 10.987 6.351 1.00 0.00 O ATOM 347 CB HIS A 27 -5.517 8.246 4.613 1.00 0.00 C ATOM 348 CG HIS A 27 -5.478 9.384 3.621 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.527 10.388 3.671 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.279 9.664 2.553 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.757 11.231 2.674 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.843 10.781 1.984 1.00 0.00 N ATOM 0 H HIS A 27 -6.309 6.716 6.399 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.728 9.078 6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.593 7.674 4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.333 7.574 4.347 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.777 10.466 4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.124 9.077 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.184 12.118 2.448 1.00 0.00 H new ATOM 361 N GLU A 28 -7.983 9.441 6.189 1.00 0.00 N ATOM 362 CA GLU A 28 -9.060 10.409 6.321 1.00 0.00 C ATOM 363 C GLU A 28 -9.017 11.064 7.703 1.00 0.00 C ATOM 364 O GLU A 28 -9.468 12.196 7.872 1.00 0.00 O ATOM 365 CB GLU A 28 -10.419 9.755 6.067 1.00 0.00 C ATOM 366 CG GLU A 28 -10.257 8.282 5.687 1.00 0.00 C ATOM 367 CD GLU A 28 -11.600 7.665 5.295 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.580 8.439 5.217 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.620 6.433 5.084 1.00 0.00 O ATOM 0 H GLU A 28 -8.290 8.475 6.077 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.920 11.184 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.039 9.838 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.938 10.285 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.556 8.192 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.831 7.731 6.526 1.00 0.00 H new ATOM 376 N ASP A 29 -8.470 10.325 8.657 1.00 0.00 N ATOM 377 CA ASP A 29 -8.362 10.821 10.019 1.00 0.00 C ATOM 378 C ASP A 29 -7.112 11.696 10.141 1.00 0.00 C ATOM 379 O ASP A 29 -7.013 12.517 11.050 1.00 0.00 O ATOM 380 CB ASP A 29 -8.230 9.667 11.015 1.00 0.00 C ATOM 381 CG ASP A 29 -9.433 8.725 11.077 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.230 8.759 10.114 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.529 7.993 12.085 1.00 0.00 O ATOM 0 H ASP A 29 -8.097 9.387 8.514 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.264 11.391 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.345 9.085 10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.061 10.082 12.009 1.00 0.00 H new ATOM 388 N GLY A 30 -6.192 11.490 9.211 1.00 0.00 N ATOM 389 CA GLY A 30 -4.953 12.250 9.203 1.00 0.00 C ATOM 390 C GLY A 30 -3.994 11.747 10.283 1.00 0.00 C ATOM 391 O GLY A 30 -3.119 12.485 10.734 1.00 0.00 O ATOM 0 H GLY A 30 -6.279 10.808 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.479 12.169 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.169 13.306 9.366 1.00 0.00 H new ATOM 395 N GLU A 31 -4.189 10.494 10.665 1.00 0.00 N ATOM 396 CA GLU A 31 -3.353 9.883 11.684 1.00 0.00 C ATOM 397 C GLU A 31 -2.281 9.004 11.034 1.00 0.00 C ATOM 398 O GLU A 31 -2.248 8.860 9.813 1.00 0.00 O ATOM 399 CB GLU A 31 -4.194 9.077 12.675 1.00 0.00 C ATOM 400 CG GLU A 31 -4.684 9.961 13.824 1.00 0.00 C ATOM 401 CD GLU A 31 -3.546 10.277 14.797 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.661 11.065 14.398 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.586 9.724 15.917 1.00 0.00 O ATOM 0 H GLU A 31 -4.914 9.885 10.287 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.857 10.677 12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.048 8.638 12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.603 8.252 13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.094 10.889 13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.492 9.458 14.355 1.00 0.00 H new ATOM 410 N THR A 32 -1.432 8.439 11.879 1.00 0.00 N ATOM 411 CA THR A 32 -0.362 7.578 11.402 1.00 0.00 C ATOM 412 C THR A 32 -0.341 6.268 12.192 1.00 0.00 C ATOM 413 O THR A 32 -1.148 6.071 13.098 1.00 0.00 O ATOM 414 CB THR A 32 0.949 8.361 11.488 1.00 0.00 C ATOM 415 OG1 THR A 32 1.069 8.684 12.871 1.00 0.00 O ATOM 416 CG2 THR A 32 0.865 9.722 10.794 1.00 0.00 C ATOM 0 H THR A 32 -1.463 8.560 12.891 1.00 0.00 H new ATOM 0 HA THR A 32 -0.518 7.292 10.362 1.00 0.00 H new ATOM 0 HB THR A 32 1.752 7.775 11.041 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.894 9.192 13.018 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.822 10.236 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.628 9.579 9.740 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.085 10.322 11.263 1.00 0.00 H new ATOM 424 N VAL A 33 0.592 5.404 11.817 1.00 0.00 N ATOM 425 CA VAL A 33 0.730 4.118 12.479 1.00 0.00 C ATOM 426 C VAL A 33 2.213 3.832 12.725 1.00 0.00 C ATOM 427 O VAL A 33 3.027 3.926 11.808 1.00 0.00 O ATOM 428 CB VAL A 33 0.039 3.029 11.654 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.330 3.500 11.161 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.921 2.585 10.485 1.00 0.00 C ATOM 0 H VAL A 33 1.259 5.570 11.063 1.00 0.00 H new ATOM 0 HA VAL A 33 0.237 4.133 13.451 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.118 2.166 12.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.799 2.708 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.961 3.743 12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.207 4.385 10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.407 1.811 9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.124 3.438 9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.861 2.189 10.869 1.00 0.00 H new ATOM 440 N GLY A 34 2.518 3.488 13.967 1.00 0.00 N ATOM 441 CA GLY A 34 3.888 3.187 14.345 1.00 0.00 C ATOM 442 C GLY A 34 4.688 4.472 14.572 1.00 0.00 C ATOM 443 O GLY A 34 4.141 5.477 15.023 1.00 0.00 O ATOM 0 H GLY A 34 1.840 3.411 14.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.895 2.585 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.362 2.592 13.565 1.00 0.00 H new ATOM 447 N SER A 35 5.971 4.396 14.249 1.00 0.00 N ATOM 448 CA SER A 35 6.852 5.540 14.412 1.00 0.00 C ATOM 449 C SER A 35 6.990 6.288 13.084 1.00 0.00 C ATOM 450 O SER A 35 7.498 7.408 13.047 1.00 0.00 O ATOM 451 CB SER A 35 8.228 5.108 14.922 1.00 0.00 C ATOM 452 OG SER A 35 8.166 4.577 16.243 1.00 0.00 O ATOM 0 H SER A 35 6.421 3.560 13.875 1.00 0.00 H new ATOM 0 HA SER A 35 6.412 6.207 15.154 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.645 4.358 14.249 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.905 5.962 14.906 1.00 0.00 H new ATOM 0 HG SER A 35 9.064 4.311 16.531 1.00 0.00 H new ATOM 458 N ASN A 36 6.528 5.639 12.025 1.00 0.00 N ATOM 459 CA ASN A 36 6.591 6.228 10.699 1.00 0.00 C ATOM 460 C ASN A 36 5.439 7.220 10.529 1.00 0.00 C ATOM 461 O ASN A 36 4.811 7.621 11.509 1.00 0.00 O ATOM 462 CB ASN A 36 6.458 5.159 9.613 1.00 0.00 C ATOM 463 CG ASN A 36 7.820 4.827 8.999 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.855 5.324 9.414 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.763 3.963 7.990 1.00 0.00 N ATOM 0 H ASN A 36 6.108 4.710 12.059 1.00 0.00 H new ATOM 0 HA ASN A 36 7.555 6.726 10.599 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.017 4.257 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.780 5.509 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.619 3.678 7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.864 3.585 7.693 1.00 0.00 H new ATOM 472 N SER A 37 5.196 7.587 9.280 1.00 0.00 N ATOM 473 CA SER A 37 4.129 8.524 8.970 1.00 0.00 C ATOM 474 C SER A 37 3.162 7.902 7.961 1.00 0.00 C ATOM 475 O SER A 37 2.743 8.560 7.009 1.00 0.00 O ATOM 476 CB SER A 37 4.692 9.839 8.424 1.00 0.00 C ATOM 477 OG SER A 37 4.849 9.805 7.009 1.00 0.00 O ATOM 0 H SER A 37 5.719 7.253 8.471 1.00 0.00 H new ATOM 0 HA SER A 37 3.590 8.745 9.891 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.027 10.659 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.656 10.043 8.891 1.00 0.00 H new ATOM 0 HG SER A 37 3.969 9.734 6.584 1.00 0.00 H new ATOM 483 N TYR A 38 2.836 6.641 8.202 1.00 0.00 N ATOM 484 CA TYR A 38 1.927 5.922 7.326 1.00 0.00 C ATOM 485 C TYR A 38 0.494 5.979 7.857 1.00 0.00 C ATOM 486 O TYR A 38 0.276 5.971 9.068 1.00 0.00 O ATOM 487 CB TYR A 38 2.401 4.467 7.327 1.00 0.00 C ATOM 488 CG TYR A 38 3.751 4.252 6.640 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.759 5.184 6.791 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.962 3.126 5.869 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.030 4.981 6.145 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.233 2.924 5.223 1.00 0.00 C ATOM 493 CZ TYR A 38 6.204 3.861 5.392 1.00 0.00 C ATOM 494 OH TYR A 38 7.404 3.670 4.781 1.00 0.00 O ATOM 0 H TYR A 38 3.185 6.098 8.992 1.00 0.00 H new ATOM 0 HA TYR A 38 1.929 6.361 6.328 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.470 4.119 8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.651 3.851 6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.594 6.065 7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.174 2.397 5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.827 5.701 6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.411 2.048 4.618 1.00 0.00 H new ATOM 0 HH TYR A 38 7.385 2.829 4.279 1.00 0.00 H new ATOM 504 N PRO A 39 -0.472 6.036 6.901 1.00 0.00 N ATOM 505 CA PRO A 39 -0.128 6.041 5.490 1.00 0.00 C ATOM 506 C PRO A 39 0.423 7.404 5.063 1.00 0.00 C ATOM 507 O PRO A 39 0.622 8.285 5.898 1.00 0.00 O ATOM 508 CB PRO A 39 -1.415 5.669 4.771 1.00 0.00 C ATOM 509 CG PRO A 39 -2.536 5.925 5.764 1.00 0.00 C ATOM 510 CD PRO A 39 -1.911 6.098 7.138 1.00 0.00 C ATOM 0 HA PRO A 39 0.667 5.335 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.547 6.269 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.400 4.625 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.097 6.817 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.241 5.093 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.198 7.049 7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.234 5.313 7.822 1.00 0.00 H new ATOM 518 N HIS A 40 0.654 7.533 3.766 1.00 0.00 N ATOM 519 CA HIS A 40 1.178 8.774 3.219 1.00 0.00 C ATOM 520 C HIS A 40 1.379 8.625 1.710 1.00 0.00 C ATOM 521 O HIS A 40 1.328 7.516 1.180 1.00 0.00 O ATOM 522 CB HIS A 40 2.455 9.193 3.950 1.00 0.00 C ATOM 523 CG HIS A 40 3.631 8.278 3.703 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.503 8.449 2.642 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.070 7.186 4.391 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.422 7.495 2.699 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.151 6.713 3.782 1.00 0.00 N ATOM 0 H HIS A 40 0.488 6.799 3.077 1.00 0.00 H new ATOM 0 HA HIS A 40 0.459 9.578 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.723 10.204 3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.254 9.229 5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.616 6.775 5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.242 7.361 2.008 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.690 5.898 4.076 1.00 0.00 H new ATOM 536 N LYS A 41 1.604 9.758 1.061 1.00 0.00 N ATOM 537 CA LYS A 41 1.813 9.767 -0.377 1.00 0.00 C ATOM 538 C LYS A 41 2.763 8.629 -0.757 1.00 0.00 C ATOM 539 O LYS A 41 3.348 7.986 0.114 1.00 0.00 O ATOM 540 CB LYS A 41 2.290 11.145 -0.840 1.00 0.00 C ATOM 541 CG LYS A 41 3.801 11.151 -1.082 1.00 0.00 C ATOM 542 CD LYS A 41 4.159 12.019 -2.290 1.00 0.00 C ATOM 543 CE LYS A 41 4.418 13.466 -1.867 1.00 0.00 C ATOM 544 NZ LYS A 41 5.850 13.805 -2.030 1.00 0.00 N ATOM 0 H LYS A 41 1.646 10.676 1.504 1.00 0.00 H new ATOM 0 HA LYS A 41 0.873 9.587 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.770 11.424 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.036 11.893 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.313 11.526 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.151 10.132 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.044 11.616 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.348 11.989 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.808 14.141 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.121 13.606 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.133 14.481 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.423 12.941 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.001 14.231 -2.967 1.00 0.00 H new ATOM 558 N TYR A 42 2.886 8.413 -2.058 1.00 0.00 N ATOM 559 CA TYR A 42 3.755 7.364 -2.565 1.00 0.00 C ATOM 560 C TYR A 42 4.257 7.698 -3.971 1.00 0.00 C ATOM 561 O TYR A 42 4.804 6.838 -4.659 1.00 0.00 O ATOM 562 CB TYR A 42 2.895 6.100 -2.630 1.00 0.00 C ATOM 563 CG TYR A 42 3.490 4.986 -3.493 1.00 0.00 C ATOM 564 CD1 TYR A 42 4.338 4.055 -2.930 1.00 0.00 C ATOM 565 CD2 TYR A 42 3.179 4.913 -4.836 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.899 3.006 -3.743 1.00 0.00 C ATOM 567 CE2 TYR A 42 3.740 3.865 -5.649 1.00 0.00 C ATOM 568 CZ TYR A 42 4.571 2.963 -5.062 1.00 0.00 C ATOM 569 OH TYR A 42 5.101 1.973 -5.829 1.00 0.00 O ATOM 0 H TYR A 42 2.398 8.947 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 42 4.627 7.244 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.746 5.722 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.912 6.362 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.582 4.112 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.515 5.642 -5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.564 2.271 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.506 3.797 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 42 5.599 2.368 -6.575 1.00 0.00 H new ATOM 579 N ASN A 43 4.053 8.949 -4.355 1.00 0.00 N ATOM 580 CA ASN A 43 4.478 9.408 -5.667 1.00 0.00 C ATOM 581 C ASN A 43 5.245 8.286 -6.371 1.00 0.00 C ATOM 582 O ASN A 43 6.471 8.224 -6.292 1.00 0.00 O ATOM 583 CB ASN A 43 5.408 10.617 -5.553 1.00 0.00 C ATOM 584 CG ASN A 43 4.634 11.923 -5.740 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.790 12.055 -6.611 1.00 0.00 O ATOM 586 ND2 ASN A 43 4.968 12.878 -4.876 1.00 0.00 N ATOM 0 H ASN A 43 3.599 9.659 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 43 3.588 9.689 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.895 10.615 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.196 10.546 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.508 13.788 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.684 12.701 -4.171 1.00 0.00 H new ATOM 593 N ASN A 44 4.491 7.428 -7.043 1.00 0.00 N ATOM 594 CA ASN A 44 5.085 6.312 -7.759 1.00 0.00 C ATOM 595 C ASN A 44 6.083 6.847 -8.789 1.00 0.00 C ATOM 596 O ASN A 44 6.146 8.050 -9.032 1.00 0.00 O ATOM 597 CB ASN A 44 4.020 5.509 -8.508 1.00 0.00 C ATOM 598 CG ASN A 44 3.608 6.216 -9.801 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.634 6.949 -9.854 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.400 5.954 -10.836 1.00 0.00 N ATOM 0 H ASN A 44 3.474 7.483 -7.107 1.00 0.00 H new ATOM 0 HA ASN A 44 5.578 5.668 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.404 4.516 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.147 5.372 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.209 6.376 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.199 5.331 -10.722 1.00 0.00 H new ATOM 607 N TYR A 45 6.841 5.925 -9.365 1.00 0.00 N ATOM 608 CA TYR A 45 7.834 6.288 -10.362 1.00 0.00 C ATOM 609 C TYR A 45 8.541 5.045 -10.908 1.00 0.00 C ATOM 610 O TYR A 45 8.759 4.931 -12.113 1.00 0.00 O ATOM 611 CB TYR A 45 8.857 7.165 -9.639 1.00 0.00 C ATOM 612 CG TYR A 45 8.641 8.666 -9.841 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.589 9.116 -10.613 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.501 9.572 -9.253 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.386 10.528 -10.805 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.298 10.986 -9.445 1.00 0.00 C ATOM 617 CZ TYR A 45 8.251 11.393 -10.211 1.00 0.00 C ATOM 618 OH TYR A 45 8.060 12.728 -10.391 1.00 0.00 O ATOM 0 H TYR A 45 6.787 4.927 -9.160 1.00 0.00 H new ATOM 0 HA TYR A 45 7.365 6.800 -11.202 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.821 6.943 -8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.856 6.902 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.917 8.407 -11.074 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.325 9.221 -8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.566 10.892 -11.407 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.963 11.706 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 45 8.752 13.226 -9.908 1.00 0.00 H new ATOM 628 N GLU A 46 8.880 4.147 -9.995 1.00 0.00 N ATOM 629 CA GLU A 46 9.559 2.919 -10.371 1.00 0.00 C ATOM 630 C GLU A 46 8.945 2.342 -11.649 1.00 0.00 C ATOM 631 O GLU A 46 9.590 1.572 -12.359 1.00 0.00 O ATOM 632 CB GLU A 46 9.513 1.897 -9.233 1.00 0.00 C ATOM 633 CG GLU A 46 10.286 2.402 -8.013 1.00 0.00 C ATOM 634 CD GLU A 46 9.374 3.196 -7.076 1.00 0.00 C ATOM 635 OE1 GLU A 46 9.061 4.352 -7.434 1.00 0.00 O ATOM 636 OE2 GLU A 46 9.011 2.630 -6.022 1.00 0.00 O ATOM 0 H GLU A 46 8.697 4.245 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 46 10.606 3.151 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.477 1.701 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.937 0.951 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.718 1.557 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.115 3.030 -8.338 1.00 0.00 H new ATOM 643 N GLY A 47 7.706 2.737 -11.903 1.00 0.00 N ATOM 644 CA GLY A 47 6.999 2.271 -13.083 1.00 0.00 C ATOM 645 C GLY A 47 5.766 1.451 -12.694 1.00 0.00 C ATOM 646 O GLY A 47 5.639 0.292 -13.085 1.00 0.00 O ATOM 0 H GLY A 47 7.174 3.375 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.696 3.124 -13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.666 1.664 -13.695 1.00 0.00 H new ATOM 650 N PHE A 48 4.890 2.086 -11.931 1.00 0.00 N ATOM 651 CA PHE A 48 3.672 1.431 -11.485 1.00 0.00 C ATOM 652 C PHE A 48 2.470 1.883 -12.317 1.00 0.00 C ATOM 653 O PHE A 48 2.329 3.067 -12.618 1.00 0.00 O ATOM 654 CB PHE A 48 3.451 1.839 -10.028 1.00 0.00 C ATOM 655 CG PHE A 48 4.473 1.250 -9.054 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.322 -0.022 -8.597 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.534 1.997 -8.646 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.270 -0.569 -7.693 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.483 1.449 -7.742 1.00 0.00 C ATOM 660 CZ PHE A 48 6.332 0.178 -7.285 1.00 0.00 C ATOM 0 H PHE A 48 4.999 3.048 -11.610 1.00 0.00 H new ATOM 0 HA PHE A 48 3.770 0.351 -11.594 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.482 2.926 -9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.452 1.528 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.481 -0.616 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.655 3.007 -9.009 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.148 -1.578 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.325 2.043 -7.418 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.054 -0.239 -6.599 1.00 0.00 H new ATOM 670 N ASP A 49 1.635 0.915 -12.665 1.00 0.00 N ATOM 671 CA ASP A 49 0.450 1.199 -13.457 1.00 0.00 C ATOM 672 C ASP A 49 -0.777 1.224 -12.541 1.00 0.00 C ATOM 673 O ASP A 49 -1.607 0.318 -12.585 1.00 0.00 O ATOM 674 CB ASP A 49 0.224 0.121 -14.518 1.00 0.00 C ATOM 675 CG ASP A 49 1.495 -0.565 -15.023 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.009 -1.428 -14.278 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.925 -0.211 -16.142 1.00 0.00 O ATOM 0 H ASP A 49 1.755 -0.066 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 49 0.596 2.162 -13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.442 -0.638 -14.107 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.290 0.570 -15.367 1.00 0.00 H new ATOM 682 N PHE A 50 -0.850 2.271 -11.732 1.00 0.00 N ATOM 683 CA PHE A 50 -1.960 2.425 -10.807 1.00 0.00 C ATOM 684 C PHE A 50 -3.230 2.860 -11.542 1.00 0.00 C ATOM 685 O PHE A 50 -3.282 3.953 -12.104 1.00 0.00 O ATOM 686 CB PHE A 50 -1.563 3.517 -9.811 1.00 0.00 C ATOM 687 CG PHE A 50 -0.411 3.125 -8.884 1.00 0.00 C ATOM 688 CD1 PHE A 50 -0.006 1.827 -8.814 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.208 4.071 -8.130 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.063 1.463 -7.953 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.278 3.707 -7.270 1.00 0.00 C ATOM 692 CZ PHE A 50 1.683 2.410 -7.199 1.00 0.00 C ATOM 0 H PHE A 50 -0.159 3.020 -11.698 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.166 1.476 -10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.282 4.414 -10.364 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.432 3.775 -9.205 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.497 1.075 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.114 5.100 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.384 0.433 -7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.770 4.460 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.496 2.133 -6.544 1.00 0.00 H new ATOM 702 N SER A 51 -4.221 1.981 -11.515 1.00 0.00 N ATOM 703 CA SER A 51 -5.486 2.260 -12.171 1.00 0.00 C ATOM 704 C SER A 51 -6.295 3.261 -11.345 1.00 0.00 C ATOM 705 O SER A 51 -7.515 3.346 -11.485 1.00 0.00 O ATOM 706 CB SER A 51 -6.291 0.976 -12.386 1.00 0.00 C ATOM 707 OG SER A 51 -6.674 0.375 -11.152 1.00 0.00 O ATOM 0 H SER A 51 -4.173 1.075 -11.049 1.00 0.00 H new ATOM 0 HA SER A 51 -5.275 2.692 -13.149 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.182 1.200 -12.972 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.698 0.269 -12.965 1.00 0.00 H new ATOM 0 HG SER A 51 -7.187 -0.441 -11.331 1.00 0.00 H new ATOM 713 N VAL A 52 -5.584 3.994 -10.502 1.00 0.00 N ATOM 714 CA VAL A 52 -6.222 4.987 -9.652 1.00 0.00 C ATOM 715 C VAL A 52 -5.494 6.325 -9.805 1.00 0.00 C ATOM 716 O VAL A 52 -4.291 6.356 -10.057 1.00 0.00 O ATOM 717 CB VAL A 52 -6.261 4.490 -8.206 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.928 3.116 -8.117 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.857 4.458 -7.598 1.00 0.00 C ATOM 0 H VAL A 52 -4.573 3.921 -10.388 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.257 5.143 -9.956 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.860 5.192 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.943 2.785 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.950 3.183 -8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.367 2.400 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.914 4.101 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.224 3.789 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.432 5.462 -7.611 1.00 0.00 H new ATOM 729 N SER A 53 -6.256 7.397 -9.646 1.00 0.00 N ATOM 730 CA SER A 53 -5.699 8.735 -9.763 1.00 0.00 C ATOM 731 C SER A 53 -5.184 9.208 -8.401 1.00 0.00 C ATOM 732 O SER A 53 -5.862 9.048 -7.388 1.00 0.00 O ATOM 733 CB SER A 53 -6.737 9.717 -10.308 1.00 0.00 C ATOM 734 OG SER A 53 -7.139 9.388 -11.634 1.00 0.00 O ATOM 0 H SER A 53 -7.254 7.367 -9.437 1.00 0.00 H new ATOM 0 HA SER A 53 -4.867 8.700 -10.467 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.610 9.721 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.324 10.726 -10.294 1.00 0.00 H new ATOM 0 HG SER A 53 -7.804 10.038 -11.945 1.00 0.00 H new ATOM 740 N SER A 54 -3.990 9.781 -8.424 1.00 0.00 N ATOM 741 CA SER A 54 -3.376 10.278 -7.204 1.00 0.00 C ATOM 742 C SER A 54 -4.413 11.025 -6.363 1.00 0.00 C ATOM 743 O SER A 54 -5.538 11.243 -6.809 1.00 0.00 O ATOM 744 CB SER A 54 -2.189 11.192 -7.518 1.00 0.00 C ATOM 745 OG SER A 54 -2.544 12.570 -7.450 1.00 0.00 O ATOM 0 H SER A 54 -3.431 9.912 -9.267 1.00 0.00 H new ATOM 0 HA SER A 54 -3.003 9.425 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.381 10.991 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.809 10.964 -8.514 1.00 0.00 H new ATOM 0 HG SER A 54 -1.760 13.120 -7.655 1.00 0.00 H new ATOM 751 N PRO A 55 -3.986 11.406 -5.129 1.00 0.00 N ATOM 752 CA PRO A 55 -2.637 11.108 -4.679 1.00 0.00 C ATOM 753 C PRO A 55 -2.497 9.631 -4.308 1.00 0.00 C ATOM 754 O PRO A 55 -3.460 9.002 -3.873 1.00 0.00 O ATOM 755 CB PRO A 55 -2.401 12.040 -3.502 1.00 0.00 C ATOM 756 CG PRO A 55 -3.778 12.493 -3.045 1.00 0.00 C ATOM 757 CD PRO A 55 -4.773 12.129 -4.134 1.00 0.00 C ATOM 0 HA PRO A 55 -1.889 11.270 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.872 11.528 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.787 12.892 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.047 12.010 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.786 13.568 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.580 11.510 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.233 13.019 -4.563 1.00 0.00 H new ATOM 765 N TYR A 56 -1.289 9.118 -4.496 1.00 0.00 N ATOM 766 CA TYR A 56 -1.010 7.726 -4.187 1.00 0.00 C ATOM 767 C TYR A 56 -0.541 7.569 -2.739 1.00 0.00 C ATOM 768 O TYR A 56 0.528 8.056 -2.373 1.00 0.00 O ATOM 769 CB TYR A 56 0.121 7.304 -5.126 1.00 0.00 C ATOM 770 CG TYR A 56 -0.239 7.385 -6.610 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.461 6.917 -7.051 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.657 7.926 -7.510 1.00 0.00 C ATOM 773 CE1 TYR A 56 -1.800 6.993 -8.448 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.317 8.003 -8.908 1.00 0.00 C ATOM 775 CZ TYR A 56 -0.894 7.532 -9.308 1.00 0.00 C ATOM 776 OH TYR A 56 -1.215 7.604 -10.627 1.00 0.00 O ATOM 0 H TYR A 56 -0.493 9.642 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.906 7.118 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.990 7.935 -4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.413 6.281 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.163 6.494 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.613 8.292 -7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.752 6.630 -8.805 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.009 8.425 -9.622 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.474 8.012 -11.122 1.00 0.00 H new ATOM 786 N TYR A 57 -1.363 6.888 -1.954 1.00 0.00 N ATOM 787 CA TYR A 57 -1.045 6.661 -0.555 1.00 0.00 C ATOM 788 C TYR A 57 -0.422 5.277 -0.352 1.00 0.00 C ATOM 789 O TYR A 57 -1.044 4.261 -0.657 1.00 0.00 O ATOM 790 CB TYR A 57 -2.377 6.722 0.195 1.00 0.00 C ATOM 791 CG TYR A 57 -3.132 8.040 0.016 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.456 9.174 -0.388 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.490 8.096 0.258 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.166 10.415 -0.556 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.200 9.338 0.091 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.503 10.436 -0.309 1.00 0.00 C ATOM 797 OH TYR A 57 -5.174 11.609 -0.467 1.00 0.00 O ATOM 0 H TYR A 57 -2.249 6.486 -2.261 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.330 7.402 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.011 5.903 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.192 6.563 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.394 9.130 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.020 7.209 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.648 11.309 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.262 9.396 0.279 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.777 11.746 0.293 1.00 0.00 H new ATOM 807 N GLU A 58 0.799 5.285 0.161 1.00 0.00 N ATOM 808 CA GLU A 58 1.513 4.044 0.409 1.00 0.00 C ATOM 809 C GLU A 58 1.176 3.505 1.801 1.00 0.00 C ATOM 810 O GLU A 58 1.314 4.215 2.795 1.00 0.00 O ATOM 811 CB GLU A 58 3.023 4.237 0.247 1.00 0.00 C ATOM 812 CG GLU A 58 3.548 5.286 1.230 1.00 0.00 C ATOM 813 CD GLU A 58 5.022 5.598 0.961 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.868 4.851 1.501 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.270 6.575 0.223 1.00 0.00 O ATOM 0 H GLU A 58 1.312 6.130 0.412 1.00 0.00 H new ATOM 0 HA GLU A 58 1.192 3.310 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.535 3.289 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.247 4.546 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.958 6.198 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.429 4.925 2.251 1.00 0.00 H new ATOM 822 N TRP A 59 0.739 2.254 1.827 1.00 0.00 N ATOM 823 CA TRP A 59 0.381 1.613 3.080 1.00 0.00 C ATOM 824 C TRP A 59 0.799 0.143 2.996 1.00 0.00 C ATOM 825 O TRP A 59 0.791 -0.447 1.917 1.00 0.00 O ATOM 826 CB TRP A 59 -1.107 1.794 3.384 1.00 0.00 C ATOM 827 CG TRP A 59 -1.608 0.960 4.564 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.242 -0.220 4.529 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.491 1.293 5.963 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.541 -0.671 5.799 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.069 0.278 6.699 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.915 2.413 6.586 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.128 0.283 8.098 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.982 2.403 7.985 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.561 1.390 8.740 1.00 0.00 C ATOM 0 H TRP A 59 0.625 1.668 1.000 1.00 0.00 H new ATOM 0 HA TRP A 59 0.907 2.078 3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.300 2.847 3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.683 1.532 2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.488 -0.751 3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.020 -1.540 6.034 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.457 3.218 6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.586 -0.523 8.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.554 3.241 8.514 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.573 1.457 9.818 1.00 0.00 H new ATOM 846 N PRO A 60 1.163 -0.420 4.178 1.00 0.00 N ATOM 847 CA PRO A 60 1.583 -1.809 4.249 1.00 0.00 C ATOM 848 C PRO A 60 0.384 -2.752 4.130 1.00 0.00 C ATOM 849 O PRO A 60 -0.746 -2.365 4.427 1.00 0.00 O ATOM 850 CB PRO A 60 2.308 -1.935 5.579 1.00 0.00 C ATOM 851 CG PRO A 60 1.865 -0.740 6.408 1.00 0.00 C ATOM 852 CD PRO A 60 1.185 0.249 5.477 1.00 0.00 C ATOM 0 HA PRO A 60 2.239 -2.092 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.053 -2.871 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.389 -1.933 5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.180 -1.055 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.722 -0.276 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.177 0.485 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.734 1.189 5.429 1.00 0.00 H new ATOM 860 N ILE A 61 0.670 -3.970 3.696 1.00 0.00 N ATOM 861 CA ILE A 61 -0.371 -4.970 3.534 1.00 0.00 C ATOM 862 C ILE A 61 -0.016 -6.208 4.359 1.00 0.00 C ATOM 863 O ILE A 61 1.015 -6.838 4.129 1.00 0.00 O ATOM 864 CB ILE A 61 -0.603 -5.267 2.051 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.982 -5.891 1.826 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.519 -6.138 1.483 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.388 -5.809 0.353 1.00 0.00 C ATOM 0 H ILE A 61 1.608 -4.287 3.451 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.321 -4.594 3.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.584 -4.323 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.970 -6.933 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.722 -5.377 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.329 -6.334 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.472 -5.619 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.557 -7.082 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.372 -6.260 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.423 -4.765 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.659 -6.344 -0.256 1.00 0.00 H new ATOM 879 N LEU A 62 -0.890 -6.520 5.306 1.00 0.00 N ATOM 880 CA LEU A 62 -0.681 -7.671 6.167 1.00 0.00 C ATOM 881 C LEU A 62 -1.362 -8.895 5.550 1.00 0.00 C ATOM 882 O LEU A 62 -2.576 -8.902 5.354 1.00 0.00 O ATOM 883 CB LEU A 62 -1.144 -7.364 7.593 1.00 0.00 C ATOM 884 CG LEU A 62 -0.314 -6.333 8.360 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.121 -5.723 9.507 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.003 -6.941 8.846 1.00 0.00 C ATOM 0 H LEU A 62 -1.744 -5.995 5.495 1.00 0.00 H new ATOM 0 HA LEU A 62 0.382 -7.901 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.175 -7.013 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.147 -8.294 8.161 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.062 -5.522 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.508 -4.993 10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.007 -5.230 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.425 -6.510 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.574 -6.187 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.793 -7.782 9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.582 -7.288 7.990 1.00 0.00 H new ATOM 898 N SER A 63 -0.549 -9.901 5.260 1.00 0.00 N ATOM 899 CA SER A 63 -1.058 -11.127 4.669 1.00 0.00 C ATOM 900 C SER A 63 -2.004 -11.826 5.647 1.00 0.00 C ATOM 901 O SER A 63 -2.625 -12.831 5.305 1.00 0.00 O ATOM 902 CB SER A 63 0.086 -12.064 4.275 1.00 0.00 C ATOM 903 OG SER A 63 1.227 -11.348 3.810 1.00 0.00 O ATOM 0 H SER A 63 0.458 -9.892 5.423 1.00 0.00 H new ATOM 0 HA SER A 63 -1.608 -10.868 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.366 -12.675 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.256 -12.746 3.497 1.00 0.00 H new ATOM 0 HG SER A 63 1.205 -11.297 2.832 1.00 0.00 H new ATOM 909 N SER A 64 -2.085 -11.266 6.845 1.00 0.00 N ATOM 910 CA SER A 64 -2.944 -11.823 7.875 1.00 0.00 C ATOM 911 C SER A 64 -4.327 -11.171 7.812 1.00 0.00 C ATOM 912 O SER A 64 -5.289 -11.690 8.375 1.00 0.00 O ATOM 913 CB SER A 64 -2.332 -11.636 9.265 1.00 0.00 C ATOM 914 OG SER A 64 -0.908 -11.599 9.221 1.00 0.00 O ATOM 0 H SER A 64 -1.569 -10.432 7.125 1.00 0.00 H new ATOM 0 HA SER A 64 -3.045 -12.893 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.705 -10.711 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.654 -12.450 9.915 1.00 0.00 H new ATOM 0 HG SER A 64 -0.556 -11.477 10.127 1.00 0.00 H new ATOM 920 N GLY A 65 -4.382 -10.041 7.122 1.00 0.00 N ATOM 921 CA GLY A 65 -5.630 -9.311 6.978 1.00 0.00 C ATOM 922 C GLY A 65 -5.862 -8.380 8.169 1.00 0.00 C ATOM 923 O GLY A 65 -6.992 -8.218 8.625 1.00 0.00 O ATOM 0 H GLY A 65 -3.582 -9.613 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.611 -8.730 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.459 -10.014 6.895 1.00 0.00 H new ATOM 927 N ASP A 66 -4.772 -7.791 8.640 1.00 0.00 N ATOM 928 CA ASP A 66 -4.841 -6.879 9.769 1.00 0.00 C ATOM 929 C ASP A 66 -4.533 -5.459 9.292 1.00 0.00 C ATOM 930 O ASP A 66 -4.450 -5.207 8.090 1.00 0.00 O ATOM 931 CB ASP A 66 -3.815 -7.251 10.841 1.00 0.00 C ATOM 932 CG ASP A 66 -4.061 -8.593 11.533 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.145 -8.729 12.140 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.158 -9.453 11.440 1.00 0.00 O ATOM 0 H ASP A 66 -3.836 -7.928 8.260 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.844 -6.942 10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.826 -7.271 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.801 -6.466 11.597 1.00 0.00 H new ATOM 939 N VAL A 67 -4.372 -4.566 10.257 1.00 0.00 N ATOM 940 CA VAL A 67 -4.073 -3.177 9.951 1.00 0.00 C ATOM 941 C VAL A 67 -2.721 -2.803 10.561 1.00 0.00 C ATOM 942 O VAL A 67 -2.606 -2.642 11.774 1.00 0.00 O ATOM 943 CB VAL A 67 -5.215 -2.279 10.433 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.732 -0.842 10.638 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.398 -2.327 9.463 1.00 0.00 C ATOM 0 H VAL A 67 -4.443 -4.777 11.252 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.994 -3.032 8.874 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.557 -2.659 11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.562 -0.224 10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.938 -0.828 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.351 -0.448 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.195 -1.680 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.076 -1.985 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.766 -3.350 9.389 1.00 0.00 H new ATOM 955 N TYR A 68 -1.731 -2.677 9.689 1.00 0.00 N ATOM 956 CA TYR A 68 -0.390 -2.325 10.127 1.00 0.00 C ATOM 957 C TYR A 68 -0.429 -1.200 11.162 1.00 0.00 C ATOM 958 O TYR A 68 -1.184 -0.241 11.014 1.00 0.00 O ATOM 959 CB TYR A 68 0.343 -1.829 8.880 1.00 0.00 C ATOM 960 CG TYR A 68 1.518 -0.894 9.178 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.586 -1.346 9.925 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.507 0.400 8.701 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.690 -0.466 10.206 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.612 1.280 8.982 1.00 0.00 C ATOM 965 CZ TYR A 68 3.650 0.803 9.721 1.00 0.00 C ATOM 966 OH TYR A 68 4.693 1.634 9.988 1.00 0.00 O ATOM 0 H TYR A 68 -1.830 -2.812 8.683 1.00 0.00 H new ATOM 0 HA TYR A 68 0.101 -3.182 10.588 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.710 -2.690 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.367 -1.310 8.236 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.594 -2.359 10.299 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.670 0.753 8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.532 -0.807 10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.617 2.296 8.614 1.00 0.00 H new ATOM 0 HH TYR A 68 4.571 2.038 10.872 1.00 0.00 H new ATOM 976 N SER A 69 0.394 -1.355 12.188 1.00 0.00 N ATOM 977 CA SER A 69 0.464 -0.365 13.249 1.00 0.00 C ATOM 978 C SER A 69 1.903 0.133 13.408 1.00 0.00 C ATOM 979 O SER A 69 2.197 1.293 13.125 1.00 0.00 O ATOM 980 CB SER A 69 -0.049 -0.937 14.572 1.00 0.00 C ATOM 981 OG SER A 69 0.640 -2.128 14.941 1.00 0.00 O ATOM 0 H SER A 69 1.019 -2.152 12.307 1.00 0.00 H new ATOM 0 HA SER A 69 -0.176 0.474 12.975 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.068 -0.192 15.359 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.115 -1.146 14.487 1.00 0.00 H new ATOM 0 HG SER A 69 0.285 -2.461 15.791 1.00 0.00 H new ATOM 987 N GLY A 70 2.760 -0.770 13.860 1.00 0.00 N ATOM 988 CA GLY A 70 4.160 -0.439 14.058 1.00 0.00 C ATOM 989 C GLY A 70 4.713 0.348 12.868 1.00 0.00 C ATOM 990 O GLY A 70 3.959 1.004 12.151 1.00 0.00 O ATOM 0 H GLY A 70 2.512 -1.731 14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.273 0.147 14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.738 -1.353 14.193 1.00 0.00 H new ATOM 994 N GLY A 71 6.023 0.256 12.696 1.00 0.00 N ATOM 995 CA GLY A 71 6.684 0.951 11.604 1.00 0.00 C ATOM 996 C GLY A 71 7.333 -0.040 10.636 1.00 0.00 C ATOM 997 O GLY A 71 7.778 0.343 9.555 1.00 0.00 O ATOM 0 H GLY A 71 6.645 -0.289 13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.961 1.566 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.442 1.625 12.003 1.00 0.00 H new ATOM 1001 N SER A 72 7.366 -1.296 11.059 1.00 0.00 N ATOM 1002 CA SER A 72 7.952 -2.345 10.242 1.00 0.00 C ATOM 1003 C SER A 72 6.880 -3.361 9.847 1.00 0.00 C ATOM 1004 O SER A 72 6.756 -4.413 10.473 1.00 0.00 O ATOM 1005 CB SER A 72 9.098 -3.041 10.979 1.00 0.00 C ATOM 1006 OG SER A 72 8.650 -3.695 12.165 1.00 0.00 O ATOM 0 H SER A 72 6.997 -1.610 11.956 1.00 0.00 H new ATOM 0 HA SER A 72 8.360 -1.889 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.565 -3.770 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.863 -2.308 11.236 1.00 0.00 H new ATOM 0 HG SER A 72 7.771 -4.098 12.004 1.00 0.00 H new ATOM 1012 N PRO A 73 6.112 -3.002 8.783 1.00 0.00 N ATOM 1013 CA PRO A 73 5.053 -3.872 8.298 1.00 0.00 C ATOM 1014 C PRO A 73 5.631 -5.059 7.525 1.00 0.00 C ATOM 1015 O PRO A 73 5.366 -6.212 7.862 1.00 0.00 O ATOM 1016 CB PRO A 73 4.173 -2.977 7.441 1.00 0.00 C ATOM 1017 CG PRO A 73 5.018 -1.761 7.101 1.00 0.00 C ATOM 1018 CD PRO A 73 6.230 -1.765 8.019 1.00 0.00 C ATOM 0 HA PRO A 73 4.475 -4.323 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.853 -3.495 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.270 -2.687 7.979 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.330 -1.792 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.441 -0.846 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.159 -1.739 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.233 -0.894 8.674 1.00 0.00 H new ATOM 1026 N GLY A 74 6.409 -4.736 6.502 1.00 0.00 N ATOM 1027 CA GLY A 74 7.026 -5.762 5.678 1.00 0.00 C ATOM 1028 C GLY A 74 7.109 -5.315 4.217 1.00 0.00 C ATOM 1029 O GLY A 74 6.516 -4.307 3.838 1.00 0.00 O ATOM 0 H GLY A 74 6.626 -3.779 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.026 -5.982 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.450 -6.685 5.748 1.00 0.00 H new ATOM 1033 N ALA A 75 7.851 -6.088 3.436 1.00 0.00 N ATOM 1034 CA ALA A 75 8.018 -5.784 2.026 1.00 0.00 C ATOM 1035 C ALA A 75 6.648 -5.522 1.398 1.00 0.00 C ATOM 1036 O ALA A 75 6.477 -4.559 0.653 1.00 0.00 O ATOM 1037 CB ALA A 75 8.762 -6.934 1.342 1.00 0.00 C ATOM 0 H ALA A 75 8.342 -6.923 3.754 1.00 0.00 H new ATOM 0 HA ALA A 75 8.617 -4.883 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.888 -6.707 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.741 -7.061 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.188 -7.854 1.450 1.00 0.00 H new ATOM 1043 N ASP A 76 5.707 -6.396 1.722 1.00 0.00 N ATOM 1044 CA ASP A 76 4.357 -6.271 1.200 1.00 0.00 C ATOM 1045 C ASP A 76 3.774 -4.920 1.622 1.00 0.00 C ATOM 1046 O ASP A 76 3.751 -4.594 2.807 1.00 0.00 O ATOM 1047 CB ASP A 76 3.448 -7.371 1.752 1.00 0.00 C ATOM 1048 CG ASP A 76 4.071 -8.768 1.786 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.229 -9.346 0.689 1.00 0.00 O ATOM 1050 OD2 ASP A 76 4.375 -9.226 2.909 1.00 0.00 O ATOM 0 H ASP A 76 5.853 -7.194 2.340 1.00 0.00 H new ATOM 0 HA ASP A 76 4.407 -6.356 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.147 -7.099 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.541 -7.409 1.149 1.00 0.00 H new ATOM 1055 N ARG A 77 3.318 -4.172 0.628 1.00 0.00 N ATOM 1056 CA ARG A 77 2.737 -2.864 0.882 1.00 0.00 C ATOM 1057 C ARG A 77 1.658 -2.553 -0.158 1.00 0.00 C ATOM 1058 O ARG A 77 1.779 -2.941 -1.318 1.00 0.00 O ATOM 1059 CB ARG A 77 3.805 -1.771 0.842 1.00 0.00 C ATOM 1060 CG ARG A 77 4.965 -2.101 1.784 1.00 0.00 C ATOM 1061 CD ARG A 77 4.794 -1.397 3.131 1.00 0.00 C ATOM 1062 NE ARG A 77 5.996 -0.591 3.438 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.975 -0.986 4.264 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.899 -2.178 4.872 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.030 -0.189 4.483 1.00 0.00 N ATOM 0 H ARG A 77 3.339 -4.446 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 77 2.292 -2.885 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.179 -1.660 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.363 -0.816 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.019 -3.179 1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.907 -1.797 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.913 -0.756 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.630 -2.134 3.917 1.00 0.00 H new ATOM 0 HE ARG A 77 6.085 0.323 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.096 -2.785 4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.644 -2.478 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.088 0.719 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.775 -0.490 5.112 1.00 0.00 H new ATOM 1079 N VAL A 78 0.628 -1.856 0.298 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.472 -1.487 -0.577 1.00 0.00 C ATOM 1081 C VAL A 78 -0.430 0.021 -0.835 1.00 0.00 C ATOM 1082 O VAL A 78 -0.120 0.799 0.065 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.799 -1.954 0.024 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.773 -1.859 1.550 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.973 -1.162 -0.554 1.00 0.00 C ATOM 0 H VAL A 78 0.532 -1.537 1.262 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.375 -1.985 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.937 -3.001 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.728 -2.197 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.972 -2.488 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.600 -0.825 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.904 -1.515 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.843 -0.103 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.011 -1.303 -1.634 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.747 0.387 -2.069 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.749 1.787 -2.455 1.00 0.00 C ATOM 1097 C VAL A 79 -2.151 2.179 -2.926 1.00 0.00 C ATOM 1098 O VAL A 79 -2.785 1.444 -3.682 1.00 0.00 O ATOM 1099 CB VAL A 79 0.328 2.040 -3.511 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.248 3.472 -4.044 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.722 1.739 -2.956 1.00 0.00 C ATOM 0 H VAL A 79 -1.004 -0.262 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.503 2.419 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 79 0.145 1.362 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.025 3.625 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.730 3.638 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.392 4.174 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.469 1.927 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.918 2.381 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.773 0.695 -2.648 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.595 3.337 -2.459 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.911 3.835 -2.823 1.00 0.00 C ATOM 1113 C PHE A 80 -3.951 5.365 -2.772 1.00 0.00 C ATOM 1114 O PHE A 80 -3.089 5.991 -2.158 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.900 3.277 -1.798 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.887 4.011 -0.456 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.797 3.927 0.355 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.964 4.748 -0.073 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.785 4.608 1.600 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.952 5.429 1.173 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.863 5.345 1.983 1.00 0.00 C ATOM 0 H PHE A 80 -2.067 3.944 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.159 3.525 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.906 3.324 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.675 2.224 -1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.941 3.342 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.829 4.815 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.920 4.541 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.808 6.014 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.854 5.863 2.930 1.00 0.00 H new ATOM 1131 N ASN A 81 -4.961 5.920 -3.426 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.125 7.363 -3.463 1.00 0.00 C ATOM 1133 C ASN A 81 -6.294 7.763 -2.560 1.00 0.00 C ATOM 1134 O ASN A 81 -6.200 7.666 -1.337 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.436 7.846 -4.881 1.00 0.00 C ATOM 1136 CG ASN A 81 -6.909 8.237 -5.016 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.262 9.400 -5.125 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.746 7.204 -5.003 1.00 0.00 N ATOM 0 H ASN A 81 -5.674 5.396 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.194 7.817 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.805 8.701 -5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.198 7.060 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.750 7.360 -5.087 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.368 8.203 -3.198 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.555 8.618 -2.468 1.00 0.00 C ATOM 1147 C GLU A 82 -8.771 7.716 -1.251 1.00 0.00 C ATOM 1148 O GLU A 82 -8.711 8.178 -0.113 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.786 8.617 -3.376 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.056 8.916 -2.579 1.00 0.00 C ATOM 1151 CD GLU A 82 -11.915 9.965 -3.288 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -11.389 11.077 -3.505 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.079 9.630 -3.597 1.00 0.00 O ATOM 0 H GLU A 82 -7.442 8.281 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.404 9.639 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.663 9.361 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.880 7.648 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.631 7.999 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.790 9.272 -1.584 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.017 6.445 -1.532 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.243 5.474 -0.475 1.00 0.00 C ATOM 1162 C ASN A 83 -9.089 4.062 -1.043 1.00 0.00 C ATOM 1163 O ASN A 83 -8.058 3.419 -0.849 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.655 5.602 0.098 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.646 6.047 -0.980 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -12.690 6.614 -0.703 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -11.262 5.759 -2.220 1.00 0.00 N ATOM 0 H ASN A 83 -9.065 6.065 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.515 5.661 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.970 4.645 0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.655 6.322 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.855 6.015 -3.010 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.375 5.282 -2.381 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.130 3.621 -1.735 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.123 2.296 -2.333 1.00 0.00 C ATOM 1176 C ASN A 84 -9.458 2.366 -3.710 1.00 0.00 C ATOM 1177 O ASN A 84 -9.709 1.522 -4.568 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.548 1.771 -2.523 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.172 2.330 -3.803 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.180 1.698 -4.847 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.693 3.545 -3.665 1.00 0.00 N ATOM 0 H ASN A 84 -10.983 4.157 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.577 1.628 -1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.535 0.682 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.159 2.049 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.134 4.004 -4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.652 4.018 -2.762 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.621 3.381 -3.876 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.918 3.572 -5.133 1.00 0.00 C ATOM 1190 C GLN A 85 -6.654 2.711 -5.170 1.00 0.00 C ATOM 1191 O GLN A 85 -5.659 3.090 -5.786 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.584 5.048 -5.356 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.827 5.862 -4.083 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.230 5.161 -2.861 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.305 5.641 -2.227 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.811 4.001 -2.567 1.00 0.00 N ATOM 0 H GLN A 85 -8.415 4.079 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.573 3.256 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.543 5.147 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.194 5.444 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.385 6.852 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.898 6.005 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.582 3.657 -3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.486 3.456 -1.769 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.734 1.570 -4.502 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.608 0.653 -4.451 1.00 0.00 C ATOM 1207 C LEU A 86 -4.761 0.820 -5.713 1.00 0.00 C ATOM 1208 O LEU A 86 -5.219 0.524 -6.816 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.094 -0.780 -4.222 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.484 -1.848 -5.132 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.263 -2.496 -4.477 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.533 -2.885 -5.539 1.00 0.00 C ATOM 0 H LEU A 86 -7.561 1.259 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.965 0.887 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.887 -1.052 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.177 -0.800 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.139 -1.362 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.849 -3.251 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.509 -1.734 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.559 -2.965 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.074 -3.633 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.930 -3.371 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.344 -2.391 -6.074 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.540 1.295 -5.510 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.625 1.505 -6.619 1.00 0.00 C ATOM 1226 C ALA A 87 -2.155 0.150 -7.152 1.00 0.00 C ATOM 1227 O ALA A 87 -1.972 -0.018 -8.356 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.461 2.386 -6.160 1.00 0.00 C ATOM 0 H ALA A 87 -3.164 1.540 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.126 2.024 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.774 2.544 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.845 3.347 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.934 1.895 -5.342 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.974 -0.783 -6.228 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.530 -2.117 -6.590 1.00 0.00 C ATOM 1236 C GLY A 88 -1.030 -2.880 -5.361 1.00 0.00 C ATOM 1237 O GLY A 88 -1.657 -2.841 -4.303 1.00 0.00 O ATOM 0 H GLY A 88 -2.127 -0.640 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.351 -2.664 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.733 -2.051 -7.331 1.00 0.00 H new ATOM 1241 N VAL A 89 0.094 -3.557 -5.542 1.00 0.00 N ATOM 1242 CA VAL A 89 0.686 -4.328 -4.462 1.00 0.00 C ATOM 1243 C VAL A 89 2.209 -4.319 -4.609 1.00 0.00 C ATOM 1244 O VAL A 89 2.776 -5.174 -5.289 1.00 0.00 O ATOM 1245 CB VAL A 89 0.096 -5.740 -4.441 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.818 -6.621 -3.420 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.409 -5.700 -4.165 1.00 0.00 C ATOM 0 H VAL A 89 0.611 -3.588 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 89 0.450 -3.877 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 89 0.245 -6.181 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.379 -7.619 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.874 -6.688 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.716 -6.185 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.804 -6.716 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.589 -5.231 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.907 -5.124 -4.945 1.00 0.00 H new ATOM 1257 N ILE A 90 2.829 -3.343 -3.961 1.00 0.00 N ATOM 1258 CA ILE A 90 4.275 -3.212 -4.011 1.00 0.00 C ATOM 1259 C ILE A 90 4.902 -4.108 -2.941 1.00 0.00 C ATOM 1260 O ILE A 90 4.213 -4.570 -2.032 1.00 0.00 O ATOM 1261 CB ILE A 90 4.684 -1.742 -3.899 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.415 -1.204 -2.491 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.998 -0.898 -4.975 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.240 0.316 -2.510 1.00 0.00 C ATOM 0 H ILE A 90 2.356 -2.636 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 90 4.655 -3.552 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 90 5.758 -1.672 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.519 -1.672 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.241 -1.471 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.306 0.143 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.282 -1.265 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.917 -0.969 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.050 0.673 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.147 0.782 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.398 0.577 -3.151 1.00 0.00 H new ATOM 1276 N THR A 91 6.200 -4.327 -3.085 1.00 0.00 N ATOM 1277 CA THR A 91 6.928 -5.159 -2.141 1.00 0.00 C ATOM 1278 C THR A 91 8.432 -4.907 -2.257 1.00 0.00 C ATOM 1279 O THR A 91 8.938 -4.639 -3.346 1.00 0.00 O ATOM 1280 CB THR A 91 6.533 -6.616 -2.395 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.649 -7.365 -1.919 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.467 -6.953 -3.885 1.00 0.00 C ATOM 0 H THR A 91 6.767 -3.943 -3.841 1.00 0.00 H new ATOM 0 HA THR A 91 6.669 -4.911 -1.112 1.00 0.00 H new ATOM 0 HB THR A 91 5.565 -6.816 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.039 -7.877 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.183 -7.998 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.728 -6.316 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.444 -6.786 -4.339 1.00 0.00 H new ATOM 1290 N HIS A 92 9.105 -5.003 -1.121 1.00 0.00 N ATOM 1291 CA HIS A 92 10.542 -4.789 -1.081 1.00 0.00 C ATOM 1292 C HIS A 92 11.254 -5.965 -1.751 1.00 0.00 C ATOM 1293 O HIS A 92 12.433 -6.210 -1.495 1.00 0.00 O ATOM 1294 CB HIS A 92 11.017 -4.548 0.354 1.00 0.00 C ATOM 1295 CG HIS A 92 10.835 -3.126 0.830 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.770 -2.475 1.616 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.821 -2.239 0.622 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.326 -1.251 1.865 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.118 -1.107 1.249 1.00 0.00 N ATOM 0 H HIS A 92 8.682 -5.226 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 92 10.795 -3.889 -1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.475 -5.216 1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.072 -4.812 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.927 -2.425 0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.832 -0.500 2.453 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.538 -0.268 1.267 1.00 0.00 H new ATOM 1308 N THR A 93 10.511 -6.661 -2.598 1.00 0.00 N ATOM 1309 CA THR A 93 11.057 -7.806 -3.308 1.00 0.00 C ATOM 1310 C THR A 93 12.449 -7.481 -3.851 1.00 0.00 C ATOM 1311 O THR A 93 12.590 -7.063 -4.999 1.00 0.00 O ATOM 1312 CB THR A 93 10.059 -8.208 -4.395 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.215 -9.162 -3.756 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.716 -8.994 -5.531 1.00 0.00 C ATOM 0 H THR A 93 9.535 -6.454 -2.809 1.00 0.00 H new ATOM 0 HA THR A 93 11.193 -8.657 -2.641 1.00 0.00 H new ATOM 0 HB THR A 93 9.584 -7.314 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.536 -9.475 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.964 -9.255 -6.276 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.490 -8.383 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.163 -9.905 -5.132 1.00 0.00 H new ATOM 1322 N GLY A 94 13.444 -7.687 -3.001 1.00 0.00 N ATOM 1323 CA GLY A 94 14.821 -7.423 -3.381 1.00 0.00 C ATOM 1324 C GLY A 94 14.908 -6.223 -4.326 1.00 0.00 C ATOM 1325 O GLY A 94 15.739 -6.202 -5.233 1.00 0.00 O ATOM 0 H GLY A 94 13.324 -8.034 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.418 -7.232 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.244 -8.303 -3.865 1.00 0.00 H new ATOM 1329 N ALA A 95 14.038 -5.253 -4.082 1.00 0.00 N ATOM 1330 CA ALA A 95 14.005 -4.053 -4.901 1.00 0.00 C ATOM 1331 C ALA A 95 15.431 -3.537 -5.099 1.00 0.00 C ATOM 1332 O ALA A 95 16.365 -4.022 -4.461 1.00 0.00 O ATOM 1333 CB ALA A 95 13.094 -3.013 -4.247 1.00 0.00 C ATOM 0 H ALA A 95 13.351 -5.274 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 95 13.594 -4.272 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.069 -2.113 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.086 -3.418 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.476 -2.766 -3.257 1.00 0.00 H new ATOM 1339 N SER A 96 15.556 -2.561 -5.986 1.00 0.00 N ATOM 1340 CA SER A 96 16.853 -1.973 -6.275 1.00 0.00 C ATOM 1341 C SER A 96 17.351 -1.183 -5.064 1.00 0.00 C ATOM 1342 O SER A 96 18.322 -0.433 -5.164 1.00 0.00 O ATOM 1343 CB SER A 96 16.786 -1.070 -7.507 1.00 0.00 C ATOM 1344 OG SER A 96 17.948 -0.255 -7.637 1.00 0.00 O ATOM 0 H SER A 96 14.780 -2.162 -6.514 1.00 0.00 H new ATOM 0 HA SER A 96 17.554 -2.780 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.672 -1.684 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.903 -0.434 -7.443 1.00 0.00 H new ATOM 0 HG SER A 96 18.548 -0.418 -6.880 1.00 0.00 H new ATOM 1350 N GLY A 97 16.664 -1.376 -3.948 1.00 0.00 N ATOM 1351 CA GLY A 97 17.025 -0.690 -2.719 1.00 0.00 C ATOM 1352 C GLY A 97 15.825 -0.586 -1.776 1.00 0.00 C ATOM 1353 O GLY A 97 15.214 -1.596 -1.429 1.00 0.00 O ATOM 0 H GLY A 97 15.859 -1.998 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.835 -1.225 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.397 0.308 -2.951 1.00 0.00 H new ATOM 1357 N ASN A 98 15.522 0.645 -1.388 1.00 0.00 N ATOM 1358 CA ASN A 98 14.405 0.893 -0.491 1.00 0.00 C ATOM 1359 C ASN A 98 13.150 1.180 -1.317 1.00 0.00 C ATOM 1360 O ASN A 98 12.083 1.437 -0.760 1.00 0.00 O ATOM 1361 CB ASN A 98 14.674 2.108 0.399 1.00 0.00 C ATOM 1362 CG ASN A 98 13.428 2.485 1.203 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.184 3.638 1.516 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.656 1.449 1.519 1.00 0.00 N ATOM 0 H ASN A 98 16.030 1.481 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 98 14.271 0.011 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.498 1.890 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.984 2.953 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.801 1.595 2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.919 0.508 1.225 1.00 0.00 H new ATOM 1371 N ASN A 99 13.317 1.125 -2.630 1.00 0.00 N ATOM 1372 CA ASN A 99 12.210 1.375 -3.537 1.00 0.00 C ATOM 1373 C ASN A 99 11.145 0.294 -3.345 1.00 0.00 C ATOM 1374 O ASN A 99 11.138 -0.403 -2.332 1.00 0.00 O ATOM 1375 CB ASN A 99 12.672 1.331 -4.994 1.00 0.00 C ATOM 1376 CG ASN A 99 13.279 -0.031 -5.337 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.614 -0.932 -5.819 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.576 -0.130 -5.061 1.00 0.00 N ATOM 0 H ASN A 99 14.203 0.911 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 99 11.809 2.364 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.828 1.533 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.408 2.116 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.073 -1.000 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.074 0.664 -4.658 1.00 0.00 H new ATOM 1385 N PHE A 100 10.270 0.188 -4.335 1.00 0.00 N ATOM 1386 CA PHE A 100 9.203 -0.796 -4.288 1.00 0.00 C ATOM 1387 C PHE A 100 8.959 -1.408 -5.669 1.00 0.00 C ATOM 1388 O PHE A 100 9.535 -0.961 -6.660 1.00 0.00 O ATOM 1389 CB PHE A 100 7.938 -0.063 -3.838 1.00 0.00 C ATOM 1390 CG PHE A 100 7.875 0.203 -2.332 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.654 -0.826 -1.469 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.039 1.466 -1.857 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.596 -0.579 -0.072 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.981 1.713 -0.460 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.761 0.685 0.403 1.00 0.00 C ATOM 0 H PHE A 100 10.279 0.768 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 100 9.471 -1.602 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.874 0.888 -4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.067 -0.650 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.523 -1.829 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.214 2.282 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.421 -1.395 0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.111 2.717 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.717 0.872 1.466 1.00 0.00 H new ATOM 1405 N VAL A 101 8.106 -2.421 -5.691 1.00 0.00 N ATOM 1406 CA VAL A 101 7.779 -3.098 -6.934 1.00 0.00 C ATOM 1407 C VAL A 101 6.470 -3.871 -6.761 1.00 0.00 C ATOM 1408 O VAL A 101 6.290 -4.577 -5.770 1.00 0.00 O ATOM 1409 CB VAL A 101 8.947 -3.987 -7.368 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.191 -3.150 -7.668 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.244 -5.054 -6.313 1.00 0.00 C ATOM 0 H VAL A 101 7.631 -2.790 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 101 7.624 -2.374 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 101 8.658 -4.496 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.006 -3.806 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.971 -2.446 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.484 -2.600 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.078 -5.672 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.503 -4.572 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.363 -5.680 -6.170 1.00 0.00 H new ATOM 1421 N GLU A 102 5.591 -3.711 -7.739 1.00 0.00 N ATOM 1422 CA GLU A 102 4.305 -4.386 -7.706 1.00 0.00 C ATOM 1423 C GLU A 102 4.502 -5.902 -7.639 1.00 0.00 C ATOM 1424 O GLU A 102 5.200 -6.478 -8.471 1.00 0.00 O ATOM 1425 CB GLU A 102 3.451 -3.998 -8.915 1.00 0.00 C ATOM 1426 CG GLU A 102 4.330 -3.550 -10.086 1.00 0.00 C ATOM 1427 CD GLU A 102 3.587 -3.694 -11.415 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.391 -4.856 -11.833 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.231 -2.639 -11.983 1.00 0.00 O ATOM 0 H GLU A 102 5.744 -3.124 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 102 3.773 -4.068 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.838 -4.847 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.768 -3.194 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.630 -2.512 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.243 -4.146 -10.109 1.00 0.00 H new ATOM 1436 N CYS A 103 3.874 -6.504 -6.639 1.00 0.00 N ATOM 1437 CA CYS A 103 3.971 -7.941 -6.452 1.00 0.00 C ATOM 1438 C CYS A 103 3.517 -8.626 -7.743 1.00 0.00 C ATOM 1439 O CYS A 103 3.457 -7.994 -8.797 1.00 0.00 O ATOM 1440 CB CYS A 103 3.161 -8.411 -5.242 1.00 0.00 C ATOM 1441 SG CYS A 103 3.609 -7.607 -3.659 1.00 0.00 S ATOM 0 H CYS A 103 3.296 -6.022 -5.950 1.00 0.00 H new ATOM 0 HA CYS A 103 5.005 -8.213 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.104 -8.231 -5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.287 -9.488 -5.135 1.00 0.00 H new ATOM 0 HG CYS A 103 2.802 -8.011 -2.723 1.00 0.00 H new ATOM 1446 N THR A 104 3.210 -9.909 -7.618 1.00 0.00 N ATOM 1447 CA THR A 104 2.763 -10.685 -8.762 1.00 0.00 C ATOM 1448 C THR A 104 1.268 -10.992 -8.647 1.00 0.00 C ATOM 1449 O THR A 104 0.802 -12.018 -9.138 1.00 0.00 O ATOM 1450 CB THR A 104 3.635 -11.939 -8.850 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.320 -12.667 -7.667 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.126 -11.627 -8.711 1.00 0.00 C ATOM 0 H THR A 104 3.262 -10.430 -6.743 1.00 0.00 H new ATOM 0 HA THR A 104 2.877 -10.125 -9.690 1.00 0.00 H new ATOM 0 HB THR A 104 3.456 -12.438 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.824 -12.298 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.699 -12.551 -8.781 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.432 -10.949 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.311 -11.157 -7.745 1.00 0.00 H new TER 1460 THR A 104