USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 674 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 180:sc= 0.638 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -8.7! C(o=-15!,f=-11!) USER MOD Set 2.2: A 98 ASN : amide:sc= -6.22! C(o=-15!,f=-9.1!) USER MOD Set 3.1: A 83 ASN : amide:sc= -15.5! C(o=-17!,f=-4.6!) USER MOD Set 3.2: A 84 ASN : amide:sc= -1.41 K(o=-17,f=-5.3!) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12! C(o=-13!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -121:sc= -0.8! USER MOD Set 5.1: A 36 ASN : amide:sc= -2.58! C(o=-2.6!,f=-4.6!) USER MOD Set 5.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 6 CYS SG : rot -35:sc= -23.5! USER MOD Set 6.2: A 9 ASN : amide:sc= -26.9! C(o=-95!,f=-95!) USER MOD Set 6.3: A 11 TYR OH : rot 32:sc= -6.88! USER MOD Set 6.4: A 103 CYS SG : rot 176:sc= -37.6! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -72:sc= 0.266 USER MOD Single : A 8 SER OG : rot 62:sc= 1.21 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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= -18.3! C(o=-18!,f=-24!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 37 SER OG : rot 63:sc= 0.475 USER MOD Single : A 40 HIS : no HE2:sc= -9.97! C(o=-10!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.132 (180deg=-0.377) USER MOD Single : A 42 TYR OH : rot 29:sc= -1.41! USER MOD Single : A 43 ASN : amide:sc= -0.984 K(o=-0.98,f=-0.05) USER MOD Single : A 44 ASN : amide:sc= -4.5! C(o=-4.5!,f=-1.6!) 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 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 68 TYR OH : rot -101:sc= -3.27! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -82.4! C(o=-82!,f=-88!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -22! C(o=-22!,f=-16!) USER MOD Single : A 104 THR OG1 : rot -74:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.171 -14.586 -5.247 1.00 0.00 N ATOM 12 CA CYS A 2 -4.945 -13.827 -5.071 1.00 0.00 C ATOM 13 C CYS A 2 -4.490 -13.322 -6.441 1.00 0.00 C ATOM 14 O CYS A 2 -4.374 -14.101 -7.386 1.00 0.00 O ATOM 15 CB CYS A 2 -3.860 -14.657 -4.380 1.00 0.00 C ATOM 16 SG CYS A 2 -4.282 -16.422 -4.138 1.00 0.00 S ATOM 0 HA CYS A 2 -5.133 -12.976 -4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.944 -14.594 -4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.646 -14.212 -3.408 1.00 0.00 H new ATOM 21 N ASP A 3 -4.246 -12.021 -6.506 1.00 0.00 N ATOM 22 CA ASP A 3 -3.807 -11.403 -7.745 1.00 0.00 C ATOM 23 C ASP A 3 -2.534 -10.596 -7.485 1.00 0.00 C ATOM 24 O ASP A 3 -1.911 -10.093 -8.419 1.00 0.00 O ATOM 25 CB ASP A 3 -4.870 -10.447 -8.291 1.00 0.00 C ATOM 26 CG ASP A 3 -5.806 -11.050 -9.339 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.830 -11.631 -8.920 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.475 -10.918 -10.537 1.00 0.00 O ATOM 0 H ASP A 3 -4.344 -11.378 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.628 -12.196 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.470 -10.081 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.370 -9.583 -8.727 1.00 0.00 H new ATOM 33 N TYR A 4 -2.185 -10.497 -6.211 1.00 0.00 N ATOM 34 CA TYR A 4 -0.997 -9.759 -5.816 1.00 0.00 C ATOM 35 C TYR A 4 -0.171 -10.553 -4.801 1.00 0.00 C ATOM 36 O TYR A 4 -0.298 -10.348 -3.595 1.00 0.00 O ATOM 37 CB TYR A 4 -1.499 -8.475 -5.152 1.00 0.00 C ATOM 38 CG TYR A 4 -2.271 -7.549 -6.095 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.602 -6.855 -7.082 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.637 -7.408 -5.957 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.329 -5.983 -7.969 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.364 -6.536 -6.844 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.674 -5.867 -7.806 1.00 0.00 C ATOM 44 OH TYR A 4 -4.359 -5.044 -8.643 1.00 0.00 O ATOM 0 H TYR A 4 -2.704 -10.915 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.362 -9.563 -6.680 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.141 -8.739 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.647 -7.932 -4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.533 -6.965 -7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.161 -7.951 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.817 -5.434 -8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.433 -6.416 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.311 -5.060 -8.411 1.00 0.00 H new ATOM 54 N THR A 5 0.659 -11.442 -5.328 1.00 0.00 N ATOM 55 CA THR A 5 1.506 -12.267 -4.484 1.00 0.00 C ATOM 56 C THR A 5 2.877 -11.614 -4.304 1.00 0.00 C ATOM 57 O THR A 5 3.714 -11.660 -5.205 1.00 0.00 O ATOM 58 CB THR A 5 1.574 -13.664 -5.106 1.00 0.00 C ATOM 59 OG1 THR A 5 0.294 -14.228 -4.837 1.00 0.00 O ATOM 60 CG2 THR A 5 2.549 -14.585 -4.369 1.00 0.00 C ATOM 0 H THR A 5 0.763 -11.609 -6.329 1.00 0.00 H new ATOM 0 HA THR A 5 1.093 -12.362 -3.480 1.00 0.00 H new ATOM 0 HB THR A 5 1.871 -13.581 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.226 -14.446 -3.884 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.560 -15.563 -4.850 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.550 -14.155 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.233 -14.694 -3.332 1.00 0.00 H new ATOM 68 N CYS A 6 3.066 -11.021 -3.134 1.00 0.00 N ATOM 69 CA CYS A 6 4.321 -10.359 -2.824 1.00 0.00 C ATOM 70 C CYS A 6 5.328 -11.423 -2.378 1.00 0.00 C ATOM 71 O CYS A 6 5.789 -11.406 -1.239 1.00 0.00 O ATOM 72 CB CYS A 6 4.139 -9.267 -1.769 1.00 0.00 C ATOM 73 SG CYS A 6 3.499 -7.678 -2.411 1.00 0.00 S ATOM 0 H CYS A 6 2.370 -10.986 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 6 4.698 -9.853 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.457 -9.633 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.098 -9.087 -1.284 1.00 0.00 H new ATOM 0 HG CYS A 6 3.973 -7.469 -3.603 1.00 0.00 H new ATOM 78 N GLY A 7 5.637 -12.323 -3.300 1.00 0.00 N ATOM 79 CA GLY A 7 6.580 -13.391 -3.017 1.00 0.00 C ATOM 80 C GLY A 7 5.973 -14.416 -2.056 1.00 0.00 C ATOM 81 O GLY A 7 5.941 -15.609 -2.354 1.00 0.00 O ATOM 0 H GLY A 7 5.251 -12.334 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.867 -13.883 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.489 -12.974 -2.583 1.00 0.00 H new ATOM 85 N SER A 8 5.509 -13.914 -0.921 1.00 0.00 N ATOM 86 CA SER A 8 4.906 -14.770 0.086 1.00 0.00 C ATOM 87 C SER A 8 3.572 -14.178 0.546 1.00 0.00 C ATOM 88 O SER A 8 3.349 -13.999 1.742 1.00 0.00 O ATOM 89 CB SER A 8 5.843 -14.961 1.280 1.00 0.00 C ATOM 90 OG SER A 8 5.785 -13.861 2.185 1.00 0.00 O ATOM 0 H SER A 8 5.539 -12.924 -0.676 1.00 0.00 H new ATOM 0 HA SER A 8 4.727 -15.748 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.578 -15.878 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.866 -15.083 0.923 1.00 0.00 H new ATOM 0 HG SER A 8 4.880 -13.788 2.554 1.00 0.00 H new ATOM 96 N ASN A 9 2.722 -13.891 -0.428 1.00 0.00 N ATOM 97 CA ASN A 9 1.416 -13.323 -0.137 1.00 0.00 C ATOM 98 C ASN A 9 0.378 -13.934 -1.079 1.00 0.00 C ATOM 99 O ASN A 9 0.692 -14.835 -1.854 1.00 0.00 O ATOM 100 CB ASN A 9 1.415 -11.807 -0.351 1.00 0.00 C ATOM 101 CG ASN A 9 2.567 -11.146 0.408 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.374 -10.332 1.296 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.774 -11.538 0.009 1.00 0.00 N ATOM 0 H ASN A 9 2.911 -14.041 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 9 1.178 -13.541 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.502 -11.586 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.466 -11.389 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.608 -11.153 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.866 -12.224 -0.741 1.00 0.00 H new ATOM 110 N CYS A 10 -0.840 -13.418 -0.980 1.00 0.00 N ATOM 111 CA CYS A 10 -1.927 -13.902 -1.813 1.00 0.00 C ATOM 112 C CYS A 10 -3.173 -13.069 -1.510 1.00 0.00 C ATOM 113 O CYS A 10 -4.193 -13.605 -1.078 1.00 0.00 O ATOM 114 CB CYS A 10 -2.176 -15.398 -1.606 1.00 0.00 C ATOM 115 SG CYS A 10 -2.549 -16.333 -3.134 1.00 0.00 S ATOM 0 H CYS A 10 -1.097 -12.670 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.661 -13.787 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.297 -15.836 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.006 -15.521 -0.910 1.00 0.00 H new ATOM 120 N TYR A 11 -3.050 -11.772 -1.748 1.00 0.00 N ATOM 121 CA TYR A 11 -4.154 -10.858 -1.505 1.00 0.00 C ATOM 122 C TYR A 11 -4.438 -10.001 -2.741 1.00 0.00 C ATOM 123 O TYR A 11 -3.784 -8.982 -2.957 1.00 0.00 O ATOM 124 CB TYR A 11 -3.705 -9.949 -0.360 1.00 0.00 C ATOM 125 CG TYR A 11 -2.204 -9.653 -0.351 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.547 -9.379 -1.534 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.505 -9.663 0.839 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.135 -9.101 -1.527 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.092 -9.386 0.846 1.00 0.00 C ATOM 130 CZ TYR A 11 0.523 -9.119 -0.336 1.00 0.00 C ATOM 131 OH TYR A 11 1.857 -8.856 -0.328 1.00 0.00 O ATOM 0 H TYR A 11 -2.203 -11.332 -2.107 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.064 -11.409 -1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.250 -9.007 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.979 -10.413 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.093 -9.373 -2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.018 -9.879 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.390 -8.883 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.467 -9.390 1.770 1.00 0.00 H new ATOM 0 HH TYR A 11 2.070 -8.222 -1.045 1.00 0.00 H new ATOM 141 N SER A 12 -5.414 -10.445 -3.518 1.00 0.00 N ATOM 142 CA SER A 12 -5.793 -9.731 -4.725 1.00 0.00 C ATOM 143 C SER A 12 -6.369 -8.360 -4.364 1.00 0.00 C ATOM 144 O SER A 12 -6.424 -7.996 -3.190 1.00 0.00 O ATOM 145 CB SER A 12 -6.806 -10.533 -5.545 1.00 0.00 C ATOM 146 OG SER A 12 -7.942 -10.909 -4.770 1.00 0.00 O ATOM 0 H SER A 12 -5.954 -11.291 -3.335 1.00 0.00 H new ATOM 0 HA SER A 12 -4.900 -9.594 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.131 -9.940 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.325 -11.427 -5.941 1.00 0.00 H new ATOM 0 HG SER A 12 -8.566 -11.418 -5.329 1.00 0.00 H new ATOM 152 N SER A 13 -6.784 -7.638 -5.394 1.00 0.00 N ATOM 153 CA SER A 13 -7.355 -6.315 -5.200 1.00 0.00 C ATOM 154 C SER A 13 -8.479 -6.378 -4.164 1.00 0.00 C ATOM 155 O SER A 13 -8.880 -5.352 -3.616 1.00 0.00 O ATOM 156 CB SER A 13 -7.878 -5.743 -6.518 1.00 0.00 C ATOM 157 OG SER A 13 -9.004 -6.469 -7.006 1.00 0.00 O ATOM 0 H SER A 13 -6.737 -7.944 -6.366 1.00 0.00 H new ATOM 0 HA SER A 13 -6.570 -5.653 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.154 -4.698 -6.376 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.083 -5.764 -7.263 1.00 0.00 H new ATOM 0 HG SER A 13 -9.309 -6.072 -7.848 1.00 0.00 H new ATOM 163 N SER A 14 -8.956 -7.591 -3.928 1.00 0.00 N ATOM 164 CA SER A 14 -10.026 -7.799 -2.967 1.00 0.00 C ATOM 165 C SER A 14 -9.456 -7.832 -1.548 1.00 0.00 C ATOM 166 O SER A 14 -10.133 -7.452 -0.594 1.00 0.00 O ATOM 167 CB SER A 14 -10.788 -9.093 -3.263 1.00 0.00 C ATOM 168 OG SER A 14 -11.886 -9.282 -2.374 1.00 0.00 O ATOM 0 H SER A 14 -8.622 -8.439 -4.385 1.00 0.00 H new ATOM 0 HA SER A 14 -10.727 -6.969 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.153 -9.072 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.107 -9.941 -3.184 1.00 0.00 H new ATOM 0 HG SER A 14 -12.347 -10.118 -2.597 1.00 0.00 H new ATOM 174 N ASP A 15 -8.217 -8.291 -1.452 1.00 0.00 N ATOM 175 CA ASP A 15 -7.548 -8.379 -0.165 1.00 0.00 C ATOM 176 C ASP A 15 -6.951 -7.014 0.188 1.00 0.00 C ATOM 177 O ASP A 15 -7.060 -6.561 1.327 1.00 0.00 O ATOM 178 CB ASP A 15 -6.407 -9.398 -0.205 1.00 0.00 C ATOM 179 CG ASP A 15 -6.791 -10.814 0.223 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.563 -11.446 -0.532 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.305 -11.235 1.295 1.00 0.00 O ATOM 0 H ASP A 15 -7.658 -8.606 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.283 -8.691 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.009 -9.436 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.602 -9.045 0.440 1.00 0.00 H new ATOM 186 N VAL A 16 -6.334 -6.398 -0.808 1.00 0.00 N ATOM 187 CA VAL A 16 -5.720 -5.096 -0.617 1.00 0.00 C ATOM 188 C VAL A 16 -6.755 -4.128 -0.038 1.00 0.00 C ATOM 189 O VAL A 16 -6.481 -3.433 0.939 1.00 0.00 O ATOM 190 CB VAL A 16 -5.114 -4.604 -1.933 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.557 -3.186 -1.785 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.036 -5.567 -2.434 1.00 0.00 C ATOM 0 H VAL A 16 -6.246 -6.777 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.900 -5.163 0.098 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.910 -4.575 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.132 -2.861 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.360 -2.508 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.781 -3.178 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.622 -5.194 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.242 -5.643 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.475 -6.551 -2.598 1.00 0.00 H new ATOM 202 N SER A 17 -7.922 -4.116 -0.664 1.00 0.00 N ATOM 203 CA SER A 17 -8.999 -3.246 -0.224 1.00 0.00 C ATOM 204 C SER A 17 -9.009 -3.158 1.304 1.00 0.00 C ATOM 205 O SER A 17 -8.944 -2.067 1.866 1.00 0.00 O ATOM 206 CB SER A 17 -10.353 -3.744 -0.735 1.00 0.00 C ATOM 207 OG SER A 17 -11.421 -2.887 -0.337 1.00 0.00 O ATOM 0 H SER A 17 -8.146 -4.695 -1.473 1.00 0.00 H new ATOM 0 HA SER A 17 -8.827 -2.253 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.328 -3.811 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.535 -4.750 -0.358 1.00 0.00 H new ATOM 0 HG SER A 17 -12.268 -3.237 -0.684 1.00 0.00 H new ATOM 213 N THR A 18 -9.089 -4.323 1.931 1.00 0.00 N ATOM 214 CA THR A 18 -9.107 -4.390 3.382 1.00 0.00 C ATOM 215 C THR A 18 -7.994 -3.522 3.971 1.00 0.00 C ATOM 216 O THR A 18 -8.239 -2.715 4.867 1.00 0.00 O ATOM 217 CB THR A 18 -9.008 -5.862 3.788 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.365 -6.291 3.872 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.471 -6.044 5.210 1.00 0.00 C ATOM 0 H THR A 18 -9.142 -5.227 1.461 1.00 0.00 H new ATOM 0 HA THR A 18 -10.037 -3.988 3.784 1.00 0.00 H new ATOM 0 HB THR A 18 -8.361 -6.389 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.394 -7.236 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.421 -7.107 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.474 -5.609 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.135 -5.546 5.916 1.00 0.00 H new ATOM 227 N ALA A 19 -6.794 -3.717 3.445 1.00 0.00 N ATOM 228 CA ALA A 19 -5.642 -2.961 3.907 1.00 0.00 C ATOM 229 C ALA A 19 -5.873 -1.473 3.639 1.00 0.00 C ATOM 230 O ALA A 19 -5.559 -0.631 4.480 1.00 0.00 O ATOM 231 CB ALA A 19 -4.379 -3.487 3.223 1.00 0.00 C ATOM 0 H ALA A 19 -6.594 -4.388 2.703 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.507 -3.085 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.515 -2.920 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.244 -4.540 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.477 -3.376 2.143 1.00 0.00 H new ATOM 237 N GLN A 20 -6.420 -1.193 2.466 1.00 0.00 N ATOM 238 CA GLN A 20 -6.697 0.179 2.077 1.00 0.00 C ATOM 239 C GLN A 20 -7.653 0.832 3.077 1.00 0.00 C ATOM 240 O GLN A 20 -7.344 1.879 3.644 1.00 0.00 O ATOM 241 CB GLN A 20 -7.262 0.244 0.656 1.00 0.00 C ATOM 242 CG GLN A 20 -6.440 -0.622 -0.301 1.00 0.00 C ATOM 243 CD GLN A 20 -7.214 -0.903 -1.590 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.388 -2.036 -2.007 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.667 0.191 -2.197 1.00 0.00 N ATOM 0 H GLN A 20 -6.679 -1.894 1.771 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.759 0.734 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.299 -0.093 0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.263 1.277 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.503 -0.119 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.182 -1.563 0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.486 1.110 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.195 0.110 -3.066 1.00 0.00 H new ATOM 254 N ALA A 21 -8.796 0.187 3.262 1.00 0.00 N ATOM 255 CA ALA A 21 -9.799 0.691 4.184 1.00 0.00 C ATOM 256 C ALA A 21 -9.104 1.332 5.387 1.00 0.00 C ATOM 257 O ALA A 21 -9.572 2.340 5.914 1.00 0.00 O ATOM 258 CB ALA A 21 -10.736 -0.447 4.591 1.00 0.00 C ATOM 0 H ALA A 21 -9.049 -0.680 2.789 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.407 1.459 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.489 -0.069 5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.227 -0.849 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.161 -1.236 5.076 1.00 0.00 H new ATOM 264 N ALA A 22 -7.998 0.721 5.786 1.00 0.00 N ATOM 265 CA ALA A 22 -7.234 1.220 6.917 1.00 0.00 C ATOM 266 C ALA A 22 -6.455 2.466 6.492 1.00 0.00 C ATOM 267 O ALA A 22 -6.547 3.509 7.136 1.00 0.00 O ATOM 268 CB ALA A 22 -6.320 0.111 7.444 1.00 0.00 C ATOM 0 H ALA A 22 -7.613 -0.115 5.346 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.898 1.510 7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.747 0.485 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.925 -0.739 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.637 -0.203 6.655 1.00 0.00 H new ATOM 274 N GLY A 23 -5.706 2.314 5.409 1.00 0.00 N ATOM 275 CA GLY A 23 -4.912 3.415 4.889 1.00 0.00 C ATOM 276 C GLY A 23 -5.767 4.670 4.707 1.00 0.00 C ATOM 277 O GLY A 23 -5.320 5.778 4.999 1.00 0.00 O ATOM 0 H GLY A 23 -5.632 1.446 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.088 3.628 5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.470 3.130 3.934 1.00 0.00 H new ATOM 281 N TYR A 24 -6.982 4.455 4.224 1.00 0.00 N ATOM 282 CA TYR A 24 -7.904 5.555 3.999 1.00 0.00 C ATOM 283 C TYR A 24 -8.467 6.078 5.322 1.00 0.00 C ATOM 284 O TYR A 24 -8.119 7.173 5.760 1.00 0.00 O ATOM 285 CB TYR A 24 -9.048 4.982 3.160 1.00 0.00 C ATOM 286 CG TYR A 24 -10.204 5.959 2.934 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.950 7.309 2.804 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.499 5.490 2.859 1.00 0.00 C ATOM 289 CE1 TYR A 24 -11.037 8.228 2.591 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.586 6.410 2.646 1.00 0.00 C ATOM 291 CZ TYR A 24 -12.302 7.733 2.522 1.00 0.00 C ATOM 292 OH TYR A 24 -13.328 8.602 2.320 1.00 0.00 O ATOM 0 H TYR A 24 -7.349 3.535 3.982 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.399 6.384 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.655 4.671 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.432 4.088 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.936 7.676 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.698 4.433 2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.852 9.287 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.605 6.056 2.586 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.174 8.108 2.292 1.00 0.00 H new ATOM 302 N LYS A 25 -9.329 5.268 5.921 1.00 0.00 N ATOM 303 CA LYS A 25 -9.944 5.635 7.185 1.00 0.00 C ATOM 304 C LYS A 25 -8.936 6.416 8.031 1.00 0.00 C ATOM 305 O LYS A 25 -9.245 7.498 8.529 1.00 0.00 O ATOM 306 CB LYS A 25 -10.508 4.398 7.886 1.00 0.00 C ATOM 307 CG LYS A 25 -11.219 4.780 9.185 1.00 0.00 C ATOM 308 CD LYS A 25 -12.529 5.516 8.897 1.00 0.00 C ATOM 309 CE LYS A 25 -13.354 5.689 10.174 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.767 5.978 9.843 1.00 0.00 N ATOM 0 H LYS A 25 -9.615 4.360 5.554 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.796 6.293 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.205 3.886 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.701 3.698 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.423 3.883 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.567 5.412 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.314 6.493 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.107 4.961 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.294 4.784 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.941 6.501 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.313 6.093 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.821 6.854 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.162 5.191 9.290 1.00 0.00 H new ATOM 324 N LEU A 26 -7.753 5.838 8.166 1.00 0.00 N ATOM 325 CA LEU A 26 -6.698 6.466 8.943 1.00 0.00 C ATOM 326 C LEU A 26 -6.220 7.727 8.221 1.00 0.00 C ATOM 327 O LEU A 26 -5.884 8.722 8.860 1.00 0.00 O ATOM 328 CB LEU A 26 -5.579 5.463 9.236 1.00 0.00 C ATOM 329 CG LEU A 26 -4.231 6.062 9.643 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.380 6.965 10.869 1.00 0.00 C ATOM 331 CD2 LEU A 26 -3.186 4.966 9.861 1.00 0.00 C ATOM 0 H LEU A 26 -7.501 4.941 7.751 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.077 6.780 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.914 4.798 10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.428 4.848 8.349 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.874 6.687 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.407 7.378 11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.069 7.778 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.770 6.383 11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.238 5.420 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.522 4.295 10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.053 4.402 8.938 1.00 0.00 H new ATOM 343 N HIS A 27 -6.205 7.643 6.899 1.00 0.00 N ATOM 344 CA HIS A 27 -5.774 8.766 6.083 1.00 0.00 C ATOM 345 C HIS A 27 -6.763 9.923 6.240 1.00 0.00 C ATOM 346 O HIS A 27 -6.357 11.073 6.400 1.00 0.00 O ATOM 347 CB HIS A 27 -5.589 8.339 4.625 1.00 0.00 C ATOM 348 CG HIS A 27 -5.569 9.488 3.647 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.627 10.500 3.698 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.383 9.773 2.590 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.874 11.352 2.713 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.963 10.900 2.028 1.00 0.00 N ATOM 0 H HIS A 27 -6.484 6.815 6.372 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.800 9.116 6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.656 7.783 4.536 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.394 7.657 4.352 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.871 10.577 4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.226 9.182 2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.311 12.247 2.492 1.00 0.00 H new ATOM 361 N GLU A 28 -8.041 9.579 6.189 1.00 0.00 N ATOM 362 CA GLU A 28 -9.091 10.575 6.323 1.00 0.00 C ATOM 363 C GLU A 28 -9.061 11.192 7.723 1.00 0.00 C ATOM 364 O GLU A 28 -9.456 12.342 7.908 1.00 0.00 O ATOM 365 CB GLU A 28 -10.462 9.970 6.020 1.00 0.00 C ATOM 366 CG GLU A 28 -10.347 8.476 5.710 1.00 0.00 C ATOM 367 CD GLU A 28 -11.719 7.872 5.405 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.712 8.620 5.538 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.745 6.675 5.045 1.00 0.00 O ATOM 0 H GLU A 28 -8.374 8.624 6.057 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.911 11.366 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.125 10.118 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.912 10.487 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.683 8.328 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.898 7.959 6.558 1.00 0.00 H new ATOM 376 N ASP A 29 -8.589 10.399 8.675 1.00 0.00 N ATOM 377 CA ASP A 29 -8.502 10.853 10.052 1.00 0.00 C ATOM 378 C ASP A 29 -7.235 11.692 10.230 1.00 0.00 C ATOM 379 O ASP A 29 -7.125 12.464 11.180 1.00 0.00 O ATOM 380 CB ASP A 29 -8.424 9.669 11.018 1.00 0.00 C ATOM 381 CG ASP A 29 -9.658 8.766 11.034 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.447 8.864 10.069 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.785 7.996 12.011 1.00 0.00 O ATOM 0 H ASP A 29 -8.263 9.445 8.519 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.395 11.439 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.554 9.065 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.259 10.051 12.025 1.00 0.00 H new ATOM 388 N GLY A 30 -6.310 11.512 9.299 1.00 0.00 N ATOM 389 CA GLY A 30 -5.054 12.243 9.340 1.00 0.00 C ATOM 390 C GLY A 30 -4.133 11.688 10.427 1.00 0.00 C ATOM 391 O GLY A 30 -3.240 12.386 10.906 1.00 0.00 O ATOM 0 H GLY A 30 -6.405 10.871 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.559 12.178 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.249 13.299 9.528 1.00 0.00 H new ATOM 395 N GLU A 31 -4.379 10.436 10.785 1.00 0.00 N ATOM 396 CA GLU A 31 -3.582 9.779 11.808 1.00 0.00 C ATOM 397 C GLU A 31 -2.485 8.930 11.160 1.00 0.00 C ATOM 398 O GLU A 31 -2.381 8.872 9.937 1.00 0.00 O ATOM 399 CB GLU A 31 -4.461 8.930 12.727 1.00 0.00 C ATOM 400 CG GLU A 31 -4.984 9.756 13.903 1.00 0.00 C ATOM 401 CD GLU A 31 -3.877 10.010 14.929 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.083 10.944 14.687 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.850 9.264 15.931 1.00 0.00 O ATOM 0 H GLU A 31 -5.119 9.859 10.385 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.108 10.546 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.300 8.525 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.889 8.081 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.373 10.707 13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.813 9.233 14.379 1.00 0.00 H new ATOM 410 N THR A 32 -1.695 8.294 12.013 1.00 0.00 N ATOM 411 CA THR A 32 -0.609 7.451 11.540 1.00 0.00 C ATOM 412 C THR A 32 -0.588 6.128 12.306 1.00 0.00 C ATOM 413 O THR A 32 -1.364 5.936 13.242 1.00 0.00 O ATOM 414 CB THR A 32 0.693 8.245 11.661 1.00 0.00 C ATOM 415 OG1 THR A 32 0.758 8.595 13.041 1.00 0.00 O ATOM 416 CG2 THR A 32 0.628 9.592 10.938 1.00 0.00 C ATOM 0 H THR A 32 -1.785 8.345 13.028 1.00 0.00 H new ATOM 0 HA THR A 32 -0.745 7.181 10.493 1.00 0.00 H new ATOM 0 HB THR A 32 1.516 7.656 11.257 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.574 9.111 13.209 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.577 10.114 11.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.433 9.427 9.878 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.173 10.196 11.364 1.00 0.00 H new ATOM 424 N VAL A 33 0.308 5.249 11.883 1.00 0.00 N ATOM 425 CA VAL A 33 0.440 3.949 12.518 1.00 0.00 C ATOM 426 C VAL A 33 1.917 3.677 12.810 1.00 0.00 C ATOM 427 O VAL A 33 2.796 4.321 12.239 1.00 0.00 O ATOM 428 CB VAL A 33 -0.206 2.872 11.644 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.605 3.297 11.194 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.680 2.538 10.442 1.00 0.00 C ATOM 0 H VAL A 33 0.950 5.412 11.107 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.088 3.934 13.472 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.309 1.969 12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.042 2.514 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.234 3.461 12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.537 4.220 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.198 1.770 9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.829 3.434 9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.645 2.172 10.792 1.00 0.00 H new ATOM 440 N GLY A 34 2.146 2.720 13.697 1.00 0.00 N ATOM 441 CA GLY A 34 3.501 2.354 14.071 1.00 0.00 C ATOM 442 C GLY A 34 4.310 3.588 14.476 1.00 0.00 C ATOM 443 O GLY A 34 3.748 4.578 14.940 1.00 0.00 O ATOM 0 H GLY A 34 1.415 2.187 14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.475 1.644 14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.990 1.852 13.236 1.00 0.00 H new ATOM 447 N SER A 35 5.618 3.487 14.285 1.00 0.00 N ATOM 448 CA SER A 35 6.510 4.583 14.624 1.00 0.00 C ATOM 449 C SER A 35 6.863 5.378 13.366 1.00 0.00 C ATOM 450 O SER A 35 7.883 6.065 13.327 1.00 0.00 O ATOM 451 CB SER A 35 7.781 4.068 15.300 1.00 0.00 C ATOM 452 OG SER A 35 8.525 3.199 14.450 1.00 0.00 O ATOM 0 H SER A 35 6.081 2.664 13.900 1.00 0.00 H new ATOM 0 HA SER A 35 5.996 5.238 15.328 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.405 4.913 15.590 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.516 3.539 16.216 1.00 0.00 H new ATOM 0 HG SER A 35 9.330 2.893 14.918 1.00 0.00 H new ATOM 458 N ASN A 36 5.999 5.262 12.368 1.00 0.00 N ATOM 459 CA ASN A 36 6.207 5.961 11.111 1.00 0.00 C ATOM 460 C ASN A 36 5.102 7.003 10.925 1.00 0.00 C ATOM 461 O ASN A 36 4.391 7.335 11.871 1.00 0.00 O ATOM 462 CB ASN A 36 6.152 4.996 9.927 1.00 0.00 C ATOM 463 CG ASN A 36 7.559 4.650 9.435 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.560 5.066 9.995 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.579 3.867 8.360 1.00 0.00 N ATOM 0 H ASN A 36 5.153 4.694 12.405 1.00 0.00 H new ATOM 0 HA ASN A 36 7.190 6.431 11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.631 4.084 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.579 5.443 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.470 3.579 7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.703 3.554 7.940 1.00 0.00 H new ATOM 472 N SER A 37 4.993 7.490 9.697 1.00 0.00 N ATOM 473 CA SER A 37 3.987 8.487 9.374 1.00 0.00 C ATOM 474 C SER A 37 3.058 7.957 8.279 1.00 0.00 C ATOM 475 O SER A 37 2.677 8.695 7.372 1.00 0.00 O ATOM 476 CB SER A 37 4.635 9.800 8.929 1.00 0.00 C ATOM 477 OG SER A 37 5.153 9.717 7.605 1.00 0.00 O ATOM 0 H SER A 37 5.585 7.212 8.914 1.00 0.00 H new ATOM 0 HA SER A 37 3.403 8.687 10.273 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.900 10.603 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.439 10.059 9.618 1.00 0.00 H new ATOM 0 HG SER A 37 4.419 9.553 6.976 1.00 0.00 H new ATOM 483 N TYR A 38 2.720 6.681 8.400 1.00 0.00 N ATOM 484 CA TYR A 38 1.843 6.044 7.432 1.00 0.00 C ATOM 485 C TYR A 38 0.388 6.087 7.901 1.00 0.00 C ATOM 486 O TYR A 38 0.117 6.082 9.100 1.00 0.00 O ATOM 487 CB TYR A 38 2.297 4.585 7.349 1.00 0.00 C ATOM 488 CG TYR A 38 3.705 4.402 6.776 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.689 5.328 7.056 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.989 3.312 5.980 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.012 5.157 6.516 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.313 3.140 5.440 1.00 0.00 C ATOM 493 CZ TYR A 38 6.260 4.071 5.735 1.00 0.00 C ATOM 494 OH TYR A 38 7.510 3.909 5.227 1.00 0.00 O ATOM 0 H TYR A 38 3.038 6.071 9.154 1.00 0.00 H new ATOM 0 HA TYR A 38 1.897 6.554 6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.262 4.147 8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.590 4.030 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.466 6.181 7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.218 2.587 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.791 5.875 6.726 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.549 2.291 4.815 1.00 0.00 H new ATOM 0 HH TYR A 38 7.541 3.090 4.690 1.00 0.00 H new ATOM 504 N PRO A 39 -0.536 6.130 6.903 1.00 0.00 N ATOM 505 CA PRO A 39 -0.130 6.132 5.507 1.00 0.00 C ATOM 506 C PRO A 39 0.423 7.499 5.100 1.00 0.00 C ATOM 507 O PRO A 39 0.649 8.360 5.950 1.00 0.00 O ATOM 508 CB PRO A 39 -1.379 5.743 4.734 1.00 0.00 C ATOM 509 CG PRO A 39 -2.547 5.989 5.675 1.00 0.00 C ATOM 510 CD PRO A 39 -1.985 6.176 7.076 1.00 0.00 C ATOM 0 HA PRO A 39 0.682 5.434 5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.477 6.338 3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.338 4.698 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.106 6.872 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.240 5.148 5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.302 7.126 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.329 5.390 7.749 1.00 0.00 H new ATOM 518 N HIS A 40 0.627 7.656 3.800 1.00 0.00 N ATOM 519 CA HIS A 40 1.150 8.905 3.270 1.00 0.00 C ATOM 520 C HIS A 40 1.301 8.794 1.752 1.00 0.00 C ATOM 521 O HIS A 40 1.156 7.710 1.187 1.00 0.00 O ATOM 522 CB HIS A 40 2.455 9.287 3.970 1.00 0.00 C ATOM 523 CG HIS A 40 3.617 8.380 3.642 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.269 8.409 2.421 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.236 7.419 4.386 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.235 7.503 2.441 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.213 6.890 3.659 1.00 0.00 N ATOM 0 H HIS A 40 0.440 6.940 3.098 1.00 0.00 H new ATOM 0 HA HIS A 40 0.447 9.714 3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.717 10.309 3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.293 9.278 5.048 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.044 9.024 1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.976 7.136 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.920 7.288 1.634 1.00 0.00 H new ATOM 536 N LYS A 41 1.591 9.929 1.134 1.00 0.00 N ATOM 537 CA LYS A 41 1.764 9.973 -0.308 1.00 0.00 C ATOM 538 C LYS A 41 2.687 8.832 -0.742 1.00 0.00 C ATOM 539 O LYS A 41 3.321 8.190 0.094 1.00 0.00 O ATOM 540 CB LYS A 41 2.247 11.356 -0.747 1.00 0.00 C ATOM 541 CG LYS A 41 1.400 11.891 -1.905 1.00 0.00 C ATOM 542 CD LYS A 41 0.179 12.652 -1.385 1.00 0.00 C ATOM 543 CE LYS A 41 0.596 13.765 -0.421 1.00 0.00 C ATOM 544 NZ LYS A 41 0.226 13.414 0.968 1.00 0.00 N ATOM 0 H LYS A 41 1.711 10.826 1.605 1.00 0.00 H new ATOM 0 HA LYS A 41 0.809 9.820 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.197 12.047 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.292 11.300 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.005 12.549 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.076 11.063 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.372 13.079 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.496 11.962 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.672 13.927 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.115 14.700 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.871 13.891 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.750 13.719 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.297 12.384 1.097 1.00 0.00 H new ATOM 558 N TYR A 42 2.733 8.615 -2.048 1.00 0.00 N ATOM 559 CA TYR A 42 3.568 7.563 -2.603 1.00 0.00 C ATOM 560 C TYR A 42 4.025 7.917 -4.020 1.00 0.00 C ATOM 561 O TYR A 42 4.542 7.063 -4.739 1.00 0.00 O ATOM 562 CB TYR A 42 2.689 6.312 -2.659 1.00 0.00 C ATOM 563 CG TYR A 42 3.302 5.156 -3.452 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.076 5.054 -4.809 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.081 4.216 -2.809 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.653 3.965 -5.555 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.659 3.128 -3.554 1.00 0.00 C ATOM 568 CZ TYR A 42 4.416 3.056 -4.890 1.00 0.00 C ATOM 569 OH TYR A 42 4.962 2.028 -5.595 1.00 0.00 O ATOM 0 H TYR A 42 2.206 9.150 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 42 4.460 7.419 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.489 5.975 -1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.729 6.575 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.467 5.790 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.257 4.296 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.484 3.872 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.271 2.386 -3.063 1.00 0.00 H new ATOM 0 HH TYR A 42 5.117 2.312 -6.520 1.00 0.00 H new ATOM 579 N ASN A 43 3.816 9.174 -4.379 1.00 0.00 N ATOM 580 CA ASN A 43 4.200 9.650 -5.697 1.00 0.00 C ATOM 581 C ASN A 43 5.006 8.564 -6.412 1.00 0.00 C ATOM 582 O ASN A 43 6.233 8.544 -6.336 1.00 0.00 O ATOM 583 CB ASN A 43 5.074 10.901 -5.599 1.00 0.00 C ATOM 584 CG ASN A 43 4.245 12.168 -5.810 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.697 13.150 -6.377 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.009 12.094 -5.324 1.00 0.00 N ATOM 0 H ASN A 43 3.385 9.878 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 43 3.290 9.889 -6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.556 10.936 -4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.868 10.853 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.377 12.889 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.693 11.242 -4.860 1.00 0.00 H new ATOM 593 N ASN A 44 4.283 7.685 -7.091 1.00 0.00 N ATOM 594 CA ASN A 44 4.915 6.599 -7.819 1.00 0.00 C ATOM 595 C ASN A 44 5.884 7.178 -8.853 1.00 0.00 C ATOM 596 O ASN A 44 5.902 8.386 -9.082 1.00 0.00 O ATOM 597 CB ASN A 44 3.877 5.756 -8.565 1.00 0.00 C ATOM 598 CG ASN A 44 3.424 6.455 -9.848 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.424 7.153 -9.886 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.213 6.228 -10.894 1.00 0.00 N ATOM 0 H ASN A 44 3.265 7.703 -7.152 1.00 0.00 H new ATOM 0 HA ASN A 44 5.439 5.971 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.301 4.782 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.016 5.578 -7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.996 6.649 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.035 5.633 -10.793 1.00 0.00 H new ATOM 607 N TYR A 45 6.665 6.290 -9.448 1.00 0.00 N ATOM 608 CA TYR A 45 7.635 6.697 -10.451 1.00 0.00 C ATOM 609 C TYR A 45 8.396 5.489 -11.001 1.00 0.00 C ATOM 610 O TYR A 45 8.624 5.391 -12.205 1.00 0.00 O ATOM 611 CB TYR A 45 8.619 7.623 -9.734 1.00 0.00 C ATOM 612 CG TYR A 45 8.325 9.112 -9.924 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.229 9.510 -10.664 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.154 10.057 -9.355 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.953 10.912 -10.843 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.876 11.459 -9.534 1.00 0.00 C ATOM 617 CZ TYR A 45 7.789 11.817 -10.269 1.00 0.00 C ATOM 618 OH TYR A 45 7.528 13.141 -10.438 1.00 0.00 O ATOM 0 H TYR A 45 6.646 5.289 -9.255 1.00 0.00 H new ATOM 0 HA TYR A 45 7.138 7.184 -11.290 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.607 7.394 -8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.627 7.414 -10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.579 8.770 -11.108 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.011 9.746 -8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.100 11.237 -11.421 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.516 12.209 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 45 8.208 13.671 -9.971 1.00 0.00 H new ATOM 628 N GLU A 46 8.768 4.601 -10.091 1.00 0.00 N ATOM 629 CA GLU A 46 9.500 3.404 -10.470 1.00 0.00 C ATOM 630 C GLU A 46 8.903 2.798 -11.743 1.00 0.00 C ATOM 631 O GLU A 46 9.571 2.043 -12.447 1.00 0.00 O ATOM 632 CB GLU A 46 9.511 2.384 -9.330 1.00 0.00 C ATOM 633 CG GLU A 46 10.215 2.949 -8.096 1.00 0.00 C ATOM 634 CD GLU A 46 11.136 4.112 -8.474 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.279 3.819 -8.888 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.676 5.266 -8.341 1.00 0.00 O ATOM 0 H GLU A 46 8.576 4.686 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 46 10.534 3.683 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.488 2.108 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.015 1.474 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.473 3.288 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.795 2.163 -7.612 1.00 0.00 H new ATOM 643 N GLY A 47 7.652 3.152 -11.998 1.00 0.00 N ATOM 644 CA GLY A 47 6.957 2.652 -13.172 1.00 0.00 C ATOM 645 C GLY A 47 5.735 1.823 -12.775 1.00 0.00 C ATOM 646 O GLY A 47 5.612 0.663 -13.169 1.00 0.00 O ATOM 0 H GLY A 47 7.102 3.779 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.646 3.488 -13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.636 2.043 -13.769 1.00 0.00 H new ATOM 650 N PHE A 48 4.861 2.448 -12.000 1.00 0.00 N ATOM 651 CA PHE A 48 3.653 1.782 -11.545 1.00 0.00 C ATOM 652 C PHE A 48 2.432 2.262 -12.333 1.00 0.00 C ATOM 653 O PHE A 48 2.235 3.464 -12.507 1.00 0.00 O ATOM 654 CB PHE A 48 3.469 2.147 -10.071 1.00 0.00 C ATOM 655 CG PHE A 48 4.496 1.503 -9.137 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.345 0.208 -8.750 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.559 2.226 -8.694 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.298 -0.390 -7.884 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.512 1.628 -7.828 1.00 0.00 C ATOM 660 CZ PHE A 48 6.362 0.333 -7.441 1.00 0.00 C ATOM 0 H PHE A 48 4.966 3.409 -11.676 1.00 0.00 H new ATOM 0 HA PHE A 48 3.745 0.706 -11.689 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.527 3.230 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.469 1.849 -9.756 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.500 -0.366 -9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.678 3.255 -9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.178 -1.419 -7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.357 2.202 -7.476 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.087 -0.121 -6.782 1.00 0.00 H new ATOM 670 N ASP A 49 1.646 1.298 -12.790 1.00 0.00 N ATOM 671 CA ASP A 49 0.451 1.608 -13.555 1.00 0.00 C ATOM 672 C ASP A 49 -0.772 1.525 -12.640 1.00 0.00 C ATOM 673 O ASP A 49 -1.566 0.590 -12.741 1.00 0.00 O ATOM 674 CB ASP A 49 0.255 0.608 -14.698 1.00 0.00 C ATOM 675 CG ASP A 49 1.544 0.000 -15.254 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.289 0.757 -15.914 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.755 -1.206 -15.007 1.00 0.00 O ATOM 0 H ASP A 49 1.814 0.302 -12.645 1.00 0.00 H new ATOM 0 HA ASP A 49 0.565 2.611 -13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.388 -0.199 -14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.273 1.107 -15.510 1.00 0.00 H new ATOM 682 N PHE A 50 -0.885 2.515 -11.767 1.00 0.00 N ATOM 683 CA PHE A 50 -1.999 2.565 -10.834 1.00 0.00 C ATOM 684 C PHE A 50 -3.287 2.990 -11.541 1.00 0.00 C ATOM 685 O PHE A 50 -3.382 4.104 -12.053 1.00 0.00 O ATOM 686 CB PHE A 50 -1.645 3.610 -9.773 1.00 0.00 C ATOM 687 CG PHE A 50 -0.469 3.216 -8.879 1.00 0.00 C ATOM 688 CD1 PHE A 50 -0.041 1.925 -8.848 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.149 4.156 -8.114 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.052 1.560 -8.017 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.241 3.790 -7.283 1.00 0.00 C ATOM 692 CZ PHE A 50 1.669 2.499 -7.253 1.00 0.00 C ATOM 0 H PHE A 50 -0.225 3.288 -11.686 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.164 1.580 -10.397 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.411 4.552 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.520 3.788 -9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.532 1.178 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.191 5.181 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.393 0.535 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.731 4.536 -6.675 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.500 2.220 -6.622 1.00 0.00 H new ATOM 702 N SER A 51 -4.249 2.077 -11.546 1.00 0.00 N ATOM 703 CA SER A 51 -5.528 2.342 -12.181 1.00 0.00 C ATOM 704 C SER A 51 -6.350 3.305 -11.322 1.00 0.00 C ATOM 705 O SER A 51 -7.579 3.289 -11.369 1.00 0.00 O ATOM 706 CB SER A 51 -6.305 1.045 -12.416 1.00 0.00 C ATOM 707 OG SER A 51 -6.731 0.449 -11.194 1.00 0.00 O ATOM 0 H SER A 51 -4.167 1.154 -11.120 1.00 0.00 H new ATOM 0 HA SER A 51 -5.339 2.802 -13.151 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.174 1.251 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.678 0.341 -12.964 1.00 0.00 H new ATOM 0 HG SER A 51 -7.225 -0.375 -11.387 1.00 0.00 H new ATOM 713 N VAL A 52 -5.638 4.120 -10.558 1.00 0.00 N ATOM 714 CA VAL A 52 -6.285 5.088 -9.690 1.00 0.00 C ATOM 715 C VAL A 52 -5.595 6.445 -9.840 1.00 0.00 C ATOM 716 O VAL A 52 -4.390 6.509 -10.080 1.00 0.00 O ATOM 717 CB VAL A 52 -6.290 4.576 -8.247 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.894 3.173 -8.165 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.881 4.604 -7.651 1.00 0.00 C ATOM 0 H VAL A 52 -4.619 4.130 -10.522 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.328 5.221 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.916 5.244 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.885 2.833 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.921 3.197 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.307 2.488 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.912 4.236 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.222 3.970 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.503 5.626 -7.658 1.00 0.00 H new ATOM 729 N SER A 53 -6.387 7.497 -9.693 1.00 0.00 N ATOM 730 CA SER A 53 -5.867 8.848 -9.810 1.00 0.00 C ATOM 731 C SER A 53 -5.369 9.337 -8.448 1.00 0.00 C ATOM 732 O SER A 53 -6.044 9.157 -7.436 1.00 0.00 O ATOM 733 CB SER A 53 -6.930 9.802 -10.361 1.00 0.00 C ATOM 734 OG SER A 53 -7.235 9.530 -11.725 1.00 0.00 O ATOM 0 H SER A 53 -7.386 7.440 -9.494 1.00 0.00 H new ATOM 0 HA SER A 53 -5.032 8.834 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.837 9.718 -9.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.579 10.830 -10.266 1.00 0.00 H new ATOM 0 HG SER A 53 -7.918 10.159 -12.039 1.00 0.00 H new ATOM 740 N SER A 54 -4.193 9.945 -8.468 1.00 0.00 N ATOM 741 CA SER A 54 -3.596 10.461 -7.247 1.00 0.00 C ATOM 742 C SER A 54 -4.657 11.180 -6.410 1.00 0.00 C ATOM 743 O SER A 54 -5.783 11.374 -6.863 1.00 0.00 O ATOM 744 CB SER A 54 -2.436 11.408 -7.558 1.00 0.00 C ATOM 745 OG SER A 54 -2.856 12.768 -7.612 1.00 0.00 O ATOM 0 H SER A 54 -3.637 10.092 -9.310 1.00 0.00 H new ATOM 0 HA SER A 54 -3.200 9.620 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.664 11.297 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.986 11.129 -8.511 1.00 0.00 H new ATOM 0 HG SER A 54 -2.086 13.341 -7.811 1.00 0.00 H new ATOM 751 N PRO A 55 -4.248 11.562 -5.171 1.00 0.00 N ATOM 752 CA PRO A 55 -2.897 11.292 -4.712 1.00 0.00 C ATOM 753 C PRO A 55 -2.726 9.816 -4.349 1.00 0.00 C ATOM 754 O PRO A 55 -3.684 9.156 -3.950 1.00 0.00 O ATOM 755 CB PRO A 55 -2.690 12.223 -3.527 1.00 0.00 C ATOM 756 CG PRO A 55 -4.081 12.641 -3.078 1.00 0.00 C ATOM 757 CD PRO A 55 -5.060 12.260 -4.178 1.00 0.00 C ATOM 0 HA PRO A 55 -2.147 11.476 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.155 11.718 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.094 13.090 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.345 12.146 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.115 13.714 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.855 11.620 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.538 13.141 -4.606 1.00 0.00 H new ATOM 765 N TYR A 56 -1.498 9.341 -4.502 1.00 0.00 N ATOM 766 CA TYR A 56 -1.189 7.954 -4.195 1.00 0.00 C ATOM 767 C TYR A 56 -0.740 7.801 -2.741 1.00 0.00 C ATOM 768 O TYR A 56 0.319 8.299 -2.359 1.00 0.00 O ATOM 769 CB TYR A 56 -0.032 7.567 -5.118 1.00 0.00 C ATOM 770 CG TYR A 56 -0.384 7.603 -6.607 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.559 7.033 -7.051 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.474 8.204 -7.505 1.00 0.00 C ATOM 773 CE1 TYR A 56 -1.890 7.067 -8.452 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.143 8.238 -8.905 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.024 7.667 -9.310 1.00 0.00 C ATOM 776 OH TYR A 56 -1.336 7.699 -10.634 1.00 0.00 O ATOM 0 H TYR A 56 -0.706 9.891 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.067 7.324 -4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.805 8.241 -4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.306 6.563 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.230 6.562 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.394 8.649 -7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.807 6.625 -8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.806 8.706 -9.618 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.625 8.160 -11.126 1.00 0.00 H new ATOM 786 N TYR A 57 -1.565 7.111 -1.969 1.00 0.00 N ATOM 787 CA TYR A 57 -1.267 6.886 -0.565 1.00 0.00 C ATOM 788 C TYR A 57 -0.619 5.516 -0.355 1.00 0.00 C ATOM 789 O TYR A 57 -1.175 4.494 -0.755 1.00 0.00 O ATOM 790 CB TYR A 57 -2.611 6.918 0.163 1.00 0.00 C ATOM 791 CG TYR A 57 -3.382 8.228 -0.011 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.720 9.369 -0.417 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.738 8.269 0.239 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.446 10.602 -0.581 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.464 9.502 0.074 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.782 10.607 -0.326 1.00 0.00 C ATOM 797 OH TYR A 57 -5.467 11.772 -0.481 1.00 0.00 O ATOM 0 H TYR A 57 -2.441 6.699 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.574 7.641 -0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.228 6.095 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.441 6.747 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.658 9.337 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.255 7.376 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.941 11.502 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.526 9.547 0.264 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.885 12.021 0.370 1.00 0.00 H new ATOM 807 N GLU A 58 0.549 5.538 0.272 1.00 0.00 N ATOM 808 CA GLU A 58 1.278 4.310 0.539 1.00 0.00 C ATOM 809 C GLU A 58 0.867 3.734 1.895 1.00 0.00 C ATOM 810 O GLU A 58 0.780 4.462 2.883 1.00 0.00 O ATOM 811 CB GLU A 58 2.788 4.546 0.480 1.00 0.00 C ATOM 812 CG GLU A 58 3.240 5.499 1.588 1.00 0.00 C ATOM 813 CD GLU A 58 3.310 4.778 2.936 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.879 3.665 2.955 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.794 5.356 3.916 1.00 0.00 O ATOM 0 H GLU A 58 1.008 6.387 0.602 1.00 0.00 H new ATOM 0 HA GLU A 58 1.026 3.585 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.312 3.595 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.057 4.960 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.218 5.912 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.548 6.338 1.656 1.00 0.00 H new ATOM 822 N TRP A 59 0.624 2.431 1.899 1.00 0.00 N ATOM 823 CA TRP A 59 0.223 1.748 3.118 1.00 0.00 C ATOM 824 C TRP A 59 0.655 0.285 3.004 1.00 0.00 C ATOM 825 O TRP A 59 0.496 -0.332 1.951 1.00 0.00 O ATOM 826 CB TRP A 59 -1.278 1.911 3.370 1.00 0.00 C ATOM 827 CG TRP A 59 -1.812 1.055 4.519 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.458 -0.117 4.445 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.719 1.353 5.929 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.787 -0.594 5.697 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.324 0.328 6.628 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.144 2.451 6.590 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.411 0.301 8.025 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.239 2.409 7.986 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.844 1.385 8.705 1.00 0.00 C ATOM 0 H TRP A 59 0.697 1.830 1.078 1.00 0.00 H new ATOM 0 HA TRP A 59 0.713 2.189 3.986 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.489 2.959 3.583 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.819 1.656 2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.692 -0.625 3.521 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.279 -1.463 5.902 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.666 3.264 6.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.890 -0.512 8.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.812 3.230 8.543 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.876 1.426 9.784 1.00 0.00 H new ATOM 846 N PRO A 60 1.207 -0.241 4.131 1.00 0.00 N ATOM 847 CA PRO A 60 1.663 -1.620 4.166 1.00 0.00 C ATOM 848 C PRO A 60 0.480 -2.587 4.252 1.00 0.00 C ATOM 849 O PRO A 60 -0.556 -2.256 4.829 1.00 0.00 O ATOM 850 CB PRO A 60 2.583 -1.699 5.374 1.00 0.00 C ATOM 851 CG PRO A 60 2.245 -0.492 6.234 1.00 0.00 C ATOM 852 CD PRO A 60 1.409 0.461 5.395 1.00 0.00 C ATOM 0 HA PRO A 60 2.192 -1.911 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.427 -2.627 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.630 -1.681 5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.695 -0.799 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.156 -0.000 6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.459 0.686 5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.923 1.410 5.243 1.00 0.00 H new ATOM 860 N ILE A 61 0.673 -3.761 3.671 1.00 0.00 N ATOM 861 CA ILE A 61 -0.365 -4.779 3.674 1.00 0.00 C ATOM 862 C ILE A 61 0.099 -5.972 4.512 1.00 0.00 C ATOM 863 O ILE A 61 1.148 -6.555 4.241 1.00 0.00 O ATOM 864 CB ILE A 61 -0.759 -5.148 2.243 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.050 -5.968 2.224 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.388 -5.865 1.527 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.406 -6.395 0.798 1.00 0.00 C ATOM 0 H ILE A 61 1.533 -4.031 3.194 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.273 -4.396 4.140 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.956 -4.227 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.934 -6.850 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.865 -5.380 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.082 -6.117 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.260 -5.212 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.640 -6.778 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.328 -6.977 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.545 -5.510 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.599 -7.003 0.388 1.00 0.00 H new ATOM 879 N LEU A 62 -0.705 -6.299 5.513 1.00 0.00 N ATOM 880 CA LEU A 62 -0.390 -7.413 6.391 1.00 0.00 C ATOM 881 C LEU A 62 -1.016 -8.691 5.833 1.00 0.00 C ATOM 882 O LEU A 62 -2.239 -8.797 5.735 1.00 0.00 O ATOM 883 CB LEU A 62 -0.812 -7.098 7.829 1.00 0.00 C ATOM 884 CG LEU A 62 -0.197 -5.841 8.447 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.780 -5.573 9.837 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.330 -5.934 8.475 1.00 0.00 C ATOM 0 H LEU A 62 -1.573 -5.812 5.735 1.00 0.00 H new ATOM 0 HA LEU A 62 0.687 -7.576 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.897 -6.998 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.555 -7.951 8.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.456 -4.989 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.326 -4.674 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.858 -5.433 9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.571 -6.421 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.742 -5.028 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.631 -6.798 9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.707 -6.043 7.458 1.00 0.00 H new ATOM 898 N SER A 63 -0.153 -9.632 5.481 1.00 0.00 N ATOM 899 CA SER A 63 -0.606 -10.899 4.936 1.00 0.00 C ATOM 900 C SER A 63 -1.635 -11.535 5.872 1.00 0.00 C ATOM 901 O SER A 63 -2.389 -12.418 5.466 1.00 0.00 O ATOM 902 CB SER A 63 0.567 -11.854 4.710 1.00 0.00 C ATOM 903 OG SER A 63 1.360 -12.012 5.883 1.00 0.00 O ATOM 0 H SER A 63 0.860 -9.542 5.563 1.00 0.00 H new ATOM 0 HA SER A 63 -1.073 -10.706 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.188 -12.826 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.190 -11.477 3.899 1.00 0.00 H new ATOM 0 HG SER A 63 2.098 -12.630 5.698 1.00 0.00 H new ATOM 909 N SER A 64 -1.633 -11.062 7.109 1.00 0.00 N ATOM 910 CA SER A 64 -2.558 -11.572 8.108 1.00 0.00 C ATOM 911 C SER A 64 -3.945 -10.964 7.897 1.00 0.00 C ATOM 912 O SER A 64 -4.936 -11.472 8.418 1.00 0.00 O ATOM 913 CB SER A 64 -2.058 -11.276 9.523 1.00 0.00 C ATOM 914 OG SER A 64 -0.636 -11.198 9.582 1.00 0.00 O ATOM 0 H SER A 64 -1.005 -10.331 7.443 1.00 0.00 H new ATOM 0 HA SER A 64 -2.622 -12.654 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.487 -10.336 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.407 -12.055 10.201 1.00 0.00 H new ATOM 0 HG SER A 64 -0.357 -11.006 10.502 1.00 0.00 H new ATOM 920 N GLY A 65 -3.972 -9.882 7.131 1.00 0.00 N ATOM 921 CA GLY A 65 -5.222 -9.198 6.845 1.00 0.00 C ATOM 922 C GLY A 65 -5.586 -8.228 7.971 1.00 0.00 C ATOM 923 O GLY A 65 -6.764 -8.027 8.264 1.00 0.00 O ATOM 0 H GLY A 65 -3.148 -9.463 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.136 -8.653 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.020 -9.929 6.718 1.00 0.00 H new ATOM 927 N ASP A 66 -4.555 -7.652 8.570 1.00 0.00 N ATOM 928 CA ASP A 66 -4.752 -6.708 9.657 1.00 0.00 C ATOM 929 C ASP A 66 -4.390 -5.301 9.176 1.00 0.00 C ATOM 930 O ASP A 66 -4.108 -5.098 7.996 1.00 0.00 O ATOM 931 CB ASP A 66 -3.854 -7.046 10.849 1.00 0.00 C ATOM 932 CG ASP A 66 -4.278 -8.279 11.649 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.311 -8.873 11.270 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.560 -8.600 12.620 1.00 0.00 O ATOM 0 H ASP A 66 -3.580 -7.821 8.323 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.796 -6.761 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.837 -7.198 10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.828 -6.187 11.520 1.00 0.00 H new ATOM 939 N VAL A 67 -4.411 -4.366 10.114 1.00 0.00 N ATOM 940 CA VAL A 67 -4.089 -2.985 9.801 1.00 0.00 C ATOM 941 C VAL A 67 -2.693 -2.657 10.335 1.00 0.00 C ATOM 942 O VAL A 67 -2.500 -2.535 11.544 1.00 0.00 O ATOM 943 CB VAL A 67 -5.173 -2.057 10.353 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.671 -0.614 10.433 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.450 -2.147 9.515 1.00 0.00 C ATOM 0 H VAL A 67 -4.646 -4.538 11.091 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.068 -2.833 8.722 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.412 -2.385 11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.461 0.025 10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.803 -0.567 11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.391 -0.270 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.204 -1.478 9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.232 -1.857 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.825 -3.170 9.531 1.00 0.00 H new ATOM 955 N TYR A 68 -1.756 -2.525 9.409 1.00 0.00 N ATOM 956 CA TYR A 68 -0.383 -2.213 9.771 1.00 0.00 C ATOM 957 C TYR A 68 -0.335 -1.176 10.893 1.00 0.00 C ATOM 958 O TYR A 68 -0.391 0.026 10.636 1.00 0.00 O ATOM 959 CB TYR A 68 0.261 -1.621 8.516 1.00 0.00 C ATOM 960 CG TYR A 68 1.457 -0.711 8.802 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.604 -1.233 9.361 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.388 0.634 8.498 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.730 -0.376 9.629 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.513 1.492 8.766 1.00 0.00 C ATOM 965 CZ TYR A 68 3.628 0.944 9.319 1.00 0.00 C ATOM 966 OH TYR A 68 4.692 1.754 9.572 1.00 0.00 O ATOM 0 H TYR A 68 -1.920 -2.628 8.408 1.00 0.00 H new ATOM 0 HA TYR A 68 0.133 -3.106 10.123 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.584 -2.435 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.491 -1.054 7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.658 -2.285 9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.490 1.043 8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.634 -0.773 10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.472 2.546 8.533 1.00 0.00 H new ATOM 0 HH TYR A 68 4.531 2.257 10.398 1.00 0.00 H new ATOM 976 N SER A 69 -0.230 -1.676 12.116 1.00 0.00 N ATOM 977 CA SER A 69 -0.173 -0.806 13.279 1.00 0.00 C ATOM 978 C SER A 69 1.139 -1.027 14.034 1.00 0.00 C ATOM 979 O SER A 69 1.236 -0.718 15.220 1.00 0.00 O ATOM 980 CB SER A 69 -1.366 -1.048 14.206 1.00 0.00 C ATOM 981 OG SER A 69 -1.159 -2.169 15.061 1.00 0.00 O ATOM 0 H SER A 69 -0.183 -2.673 12.327 1.00 0.00 H new ATOM 0 HA SER A 69 -0.217 0.228 12.936 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.541 -0.158 14.811 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.263 -1.209 13.608 1.00 0.00 H new ATOM 0 HG SER A 69 -1.942 -2.289 15.638 1.00 0.00 H new ATOM 987 N GLY A 70 2.116 -1.559 13.314 1.00 0.00 N ATOM 988 CA GLY A 70 3.418 -1.825 13.901 1.00 0.00 C ATOM 989 C GLY A 70 4.430 -0.750 13.499 1.00 0.00 C ATOM 990 O GLY A 70 4.770 0.119 14.302 1.00 0.00 O ATOM 0 H GLY A 70 2.032 -1.813 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.331 -1.860 14.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.774 -2.803 13.578 1.00 0.00 H new ATOM 994 N GLY A 71 4.883 -0.843 12.258 1.00 0.00 N ATOM 995 CA GLY A 71 5.850 0.111 11.740 1.00 0.00 C ATOM 996 C GLY A 71 7.112 -0.600 11.249 1.00 0.00 C ATOM 997 O GLY A 71 8.213 -0.061 11.353 1.00 0.00 O ATOM 0 H GLY A 71 4.599 -1.564 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.405 0.677 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.112 0.828 12.518 1.00 0.00 H new ATOM 1001 N SER A 72 6.911 -1.800 10.724 1.00 0.00 N ATOM 1002 CA SER A 72 8.020 -2.590 10.216 1.00 0.00 C ATOM 1003 C SER A 72 7.600 -3.320 8.939 1.00 0.00 C ATOM 1004 O SER A 72 7.927 -4.492 8.753 1.00 0.00 O ATOM 1005 CB SER A 72 8.507 -3.593 11.264 1.00 0.00 C ATOM 1006 OG SER A 72 9.878 -3.393 11.596 1.00 0.00 O ATOM 0 H SER A 72 5.997 -2.244 10.639 1.00 0.00 H new ATOM 0 HA SER A 72 8.845 -1.915 9.987 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.899 -3.501 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.369 -4.607 10.888 1.00 0.00 H new ATOM 0 HG SER A 72 10.151 -4.051 12.269 1.00 0.00 H new ATOM 1012 N PRO A 73 6.864 -2.578 8.068 1.00 0.00 N ATOM 1013 CA PRO A 73 6.397 -3.143 6.813 1.00 0.00 C ATOM 1014 C PRO A 73 7.541 -3.256 5.803 1.00 0.00 C ATOM 1015 O PRO A 73 8.354 -4.176 5.882 1.00 0.00 O ATOM 1016 CB PRO A 73 5.288 -2.212 6.353 1.00 0.00 C ATOM 1017 CG PRO A 73 5.488 -0.914 7.119 1.00 0.00 C ATOM 1018 CD PRO A 73 6.459 -1.188 8.254 1.00 0.00 C ATOM 0 HA PRO A 73 6.025 -4.162 6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.341 -2.043 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.307 -2.641 6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.880 -0.139 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.537 -0.551 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.317 -0.517 8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.986 -1.040 9.225 1.00 0.00 H new ATOM 1026 N GLY A 74 7.567 -2.309 4.878 1.00 0.00 N ATOM 1027 CA GLY A 74 8.598 -2.290 3.854 1.00 0.00 C ATOM 1028 C GLY A 74 8.233 -3.217 2.693 1.00 0.00 C ATOM 1029 O GLY A 74 7.698 -2.769 1.680 1.00 0.00 O ATOM 0 H GLY A 74 6.890 -1.548 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.730 -1.273 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.550 -2.599 4.285 1.00 0.00 H new ATOM 1033 N ALA A 75 8.536 -4.494 2.879 1.00 0.00 N ATOM 1034 CA ALA A 75 8.248 -5.487 1.858 1.00 0.00 C ATOM 1035 C ALA A 75 6.839 -5.254 1.309 1.00 0.00 C ATOM 1036 O ALA A 75 6.621 -4.334 0.522 1.00 0.00 O ATOM 1037 CB ALA A 75 8.419 -6.888 2.449 1.00 0.00 C ATOM 0 H ALA A 75 8.978 -4.863 3.721 1.00 0.00 H new ATOM 0 HA ALA A 75 8.945 -5.396 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.203 -7.634 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.444 -7.013 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.732 -7.016 3.285 1.00 0.00 H new ATOM 1043 N ASP A 76 5.920 -6.101 1.747 1.00 0.00 N ATOM 1044 CA ASP A 76 4.538 -5.998 1.309 1.00 0.00 C ATOM 1045 C ASP A 76 3.994 -4.615 1.672 1.00 0.00 C ATOM 1046 O ASP A 76 4.076 -4.196 2.826 1.00 0.00 O ATOM 1047 CB ASP A 76 3.663 -7.047 1.996 1.00 0.00 C ATOM 1048 CG ASP A 76 4.115 -8.496 1.801 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.670 -8.776 0.717 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.894 -9.291 2.740 1.00 0.00 O ATOM 0 H ASP A 76 6.105 -6.862 2.401 1.00 0.00 H new ATOM 0 HA ASP A 76 4.513 -6.158 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.635 -6.832 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.643 -6.947 1.624 1.00 0.00 H new ATOM 1055 N ARG A 77 3.450 -3.945 0.667 1.00 0.00 N ATOM 1056 CA ARG A 77 2.892 -2.618 0.867 1.00 0.00 C ATOM 1057 C ARG A 77 1.839 -2.318 -0.203 1.00 0.00 C ATOM 1058 O ARG A 77 2.018 -2.666 -1.369 1.00 0.00 O ATOM 1059 CB ARG A 77 3.984 -1.548 0.812 1.00 0.00 C ATOM 1060 CG ARG A 77 5.234 -1.999 1.571 1.00 0.00 C ATOM 1061 CD ARG A 77 4.915 -2.254 3.046 1.00 0.00 C ATOM 1062 NE ARG A 77 5.781 -3.333 3.571 1.00 0.00 N ATOM 1063 CZ ARG A 77 5.420 -4.178 4.547 1.00 0.00 C ATOM 1064 NH1 ARG A 77 4.209 -4.074 5.109 1.00 0.00 N ATOM 1065 NH2 ARG A 77 6.272 -5.127 4.960 1.00 0.00 N ATOM 0 H ARG A 77 3.384 -4.296 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 77 2.429 -2.598 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.241 -1.339 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.609 -0.619 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.631 -2.908 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.009 -1.237 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.067 -1.342 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.867 -2.531 3.157 1.00 0.00 H new ATOM 0 HE ARG A 77 6.710 -3.440 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.561 -3.352 4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.934 -4.717 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.194 -5.206 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.998 -5.770 5.703 1.00 0.00 H new ATOM 1079 N VAL A 78 0.765 -1.677 0.234 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.315 -1.326 -0.670 1.00 0.00 C ATOM 1081 C VAL A 78 -0.328 0.189 -0.882 1.00 0.00 C ATOM 1082 O VAL A 78 -0.011 0.948 0.032 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.643 -1.866 -0.134 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.800 -3.354 -0.453 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.770 -1.611 1.369 1.00 0.00 C ATOM 0 H VAL A 78 0.620 -1.392 1.203 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.161 -1.788 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.449 -1.330 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.752 -3.712 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.775 -3.499 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.985 -3.913 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.722 -2.004 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.953 -2.108 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.725 -0.539 1.561 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.697 0.583 -2.092 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.754 1.994 -2.434 1.00 0.00 C ATOM 1097 C VAL A 79 -2.164 2.340 -2.919 1.00 0.00 C ATOM 1098 O VAL A 79 -2.779 1.566 -3.651 1.00 0.00 O ATOM 1099 CB VAL A 79 0.330 2.328 -3.461 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.172 3.758 -3.980 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.726 2.107 -2.876 1.00 0.00 C ATOM 0 H VAL A 79 -0.959 -0.050 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.552 2.608 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 79 0.211 1.651 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.955 3.969 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.803 3.867 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.252 4.458 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.478 2.352 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.861 2.748 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.835 1.064 -2.580 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.634 3.502 -2.492 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.959 3.959 -2.873 1.00 0.00 C ATOM 1113 C PHE A 80 -4.043 5.487 -2.838 1.00 0.00 C ATOM 1114 O PHE A 80 -3.199 6.145 -2.231 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.942 3.383 -1.853 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.937 4.108 -0.504 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.854 4.018 0.313 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -6.015 4.844 -0.124 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.849 4.691 1.563 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -6.010 5.517 1.126 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.927 5.427 1.943 1.00 0.00 C ATOM 0 H PHE A 80 -2.121 4.141 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.188 3.632 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.948 3.422 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.705 2.332 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.997 3.434 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.875 4.917 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.989 4.618 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.867 6.101 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.923 5.940 2.893 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.068 6.006 -3.496 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.274 7.444 -3.548 1.00 0.00 C ATOM 1133 C ASN A 81 -6.446 7.820 -2.641 1.00 0.00 C ATOM 1134 O ASN A 81 -6.353 7.707 -1.419 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.609 7.902 -4.969 1.00 0.00 C ATOM 1136 CG ASN A 81 -7.080 8.307 -5.081 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.423 9.475 -5.172 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.926 7.281 -5.071 1.00 0.00 N ATOM 0 H ASN A 81 -5.766 5.457 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.354 7.928 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.974 8.745 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.394 7.099 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.930 7.447 -5.142 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.524 8.262 -3.273 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.715 8.655 -2.538 1.00 0.00 C ATOM 1147 C GLU A 82 -8.909 7.752 -1.319 1.00 0.00 C ATOM 1148 O GLU A 82 -8.874 8.220 -0.182 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.949 8.631 -3.440 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.228 8.822 -2.625 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.466 8.471 -3.454 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.385 8.635 -4.690 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.464 8.047 -2.833 1.00 0.00 O ATOM 0 H GLU A 82 -7.598 8.357 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.581 9.679 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.871 9.418 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.993 7.683 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.193 8.195 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.295 9.855 -2.284 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.110 6.471 -1.598 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.310 5.498 -0.538 1.00 0.00 C ATOM 1162 C ASN A 83 -9.127 4.089 -1.105 1.00 0.00 C ATOM 1163 O ASN A 83 -8.082 3.469 -0.910 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.724 5.594 0.039 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.727 6.016 -1.036 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -12.790 6.545 -0.757 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -11.332 5.752 -2.279 1.00 0.00 N ATOM 0 H ASN A 83 -9.138 6.086 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.584 5.703 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.017 4.630 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.739 6.314 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.932 5.995 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.429 5.307 -2.444 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.158 3.623 -1.794 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.122 2.299 -2.391 1.00 0.00 C ATOM 1176 C ASN A 84 -9.454 2.380 -3.765 1.00 0.00 C ATOM 1177 O ASN A 84 -9.658 1.510 -4.610 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.535 1.744 -2.583 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.168 2.289 -3.866 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.169 1.652 -4.907 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.704 3.498 -3.732 1.00 0.00 N ATOM 0 H ASN A 84 -11.024 4.139 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.564 1.643 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.500 0.655 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.154 2.010 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.152 3.949 -4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.668 3.975 -2.831 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.672 3.433 -3.945 1.00 0.00 N ATOM 1189 CA GLN A 85 -7.973 3.641 -5.202 1.00 0.00 C ATOM 1190 C GLN A 85 -6.698 2.796 -5.246 1.00 0.00 C ATOM 1191 O GLN A 85 -5.732 3.158 -5.916 1.00 0.00 O ATOM 1192 CB GLN A 85 -7.657 5.122 -5.417 1.00 0.00 C ATOM 1193 CG GLN A 85 -7.906 5.926 -4.140 1.00 0.00 C ATOM 1194 CD GLN A 85 -7.295 5.226 -2.923 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -6.352 5.699 -2.311 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -7.884 4.076 -2.609 1.00 0.00 N ATOM 0 H GLN A 85 -8.506 4.152 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.626 3.322 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.618 5.235 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.274 5.516 -6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.477 6.923 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.978 6.054 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.670 3.737 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.550 3.533 -1.813 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.736 1.686 -4.523 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.596 0.787 -4.471 1.00 0.00 C ATOM 1207 C LEU A 86 -4.747 0.974 -5.730 1.00 0.00 C ATOM 1208 O LEU A 86 -5.217 0.732 -6.841 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.059 -0.654 -4.250 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.278 -1.733 -5.001 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.599 -3.125 -4.453 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -5.525 -1.639 -6.508 1.00 0.00 C ATOM 0 H LEU A 86 -7.539 1.389 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.960 1.027 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.006 -0.872 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.108 -0.726 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.214 -1.561 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.030 -3.873 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.331 -3.171 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.665 -3.324 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.958 -2.417 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.588 -1.771 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.205 -0.661 -6.869 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.511 1.400 -5.515 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.593 1.622 -6.619 1.00 0.00 C ATOM 1226 C ALA A 87 -2.135 0.272 -7.173 1.00 0.00 C ATOM 1227 O ALA A 87 -2.057 0.089 -8.387 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.422 2.485 -6.144 1.00 0.00 C ATOM 0 H ALA A 87 -3.124 1.597 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.087 2.160 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.733 2.652 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.798 3.444 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.899 1.975 -5.334 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.843 -0.640 -6.258 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.395 -1.968 -6.640 1.00 0.00 C ATOM 1236 C GLY A 88 -0.898 -2.752 -5.423 1.00 0.00 C ATOM 1237 O GLY A 88 -1.501 -2.690 -4.352 1.00 0.00 O ATOM 0 H GLY A 88 -1.908 -0.485 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.213 -2.509 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.595 -1.888 -7.376 1.00 0.00 H new ATOM 1241 N VAL A 89 0.196 -3.470 -5.628 1.00 0.00 N ATOM 1242 CA VAL A 89 0.780 -4.264 -4.560 1.00 0.00 C ATOM 1243 C VAL A 89 2.301 -4.298 -4.730 1.00 0.00 C ATOM 1244 O VAL A 89 2.832 -5.167 -5.418 1.00 0.00 O ATOM 1245 CB VAL A 89 0.150 -5.658 -4.539 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.828 -6.551 -3.500 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.358 -5.574 -4.291 1.00 0.00 C ATOM 0 H VAL A 89 0.693 -3.519 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 89 0.570 -3.813 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 89 0.304 -6.110 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.361 -7.536 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.886 -6.650 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.721 -6.105 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.782 -6.578 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.543 -5.093 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.825 -4.991 -5.085 1.00 0.00 H new ATOM 1257 N ILE A 90 2.957 -3.341 -4.091 1.00 0.00 N ATOM 1258 CA ILE A 90 4.406 -3.251 -4.161 1.00 0.00 C ATOM 1259 C ILE A 90 5.022 -4.153 -3.091 1.00 0.00 C ATOM 1260 O ILE A 90 4.328 -4.605 -2.181 1.00 0.00 O ATOM 1261 CB ILE A 90 4.856 -1.791 -4.069 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.603 -1.227 -2.669 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.194 -0.943 -5.157 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.004 0.178 -2.745 1.00 0.00 C ATOM 0 H ILE A 90 2.512 -2.621 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 90 4.764 -3.611 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 90 5.932 -1.753 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.927 -1.886 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.538 -1.198 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.531 0.090 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.468 -1.331 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.111 -0.982 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.834 0.556 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.694 0.840 -3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.057 0.141 -3.283 1.00 0.00 H new ATOM 1276 N THR A 91 6.318 -4.390 -3.236 1.00 0.00 N ATOM 1277 CA THR A 91 7.035 -5.231 -2.292 1.00 0.00 C ATOM 1278 C THR A 91 8.542 -4.995 -2.408 1.00 0.00 C ATOM 1279 O THR A 91 9.024 -4.523 -3.437 1.00 0.00 O ATOM 1280 CB THR A 91 6.626 -6.682 -2.547 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.721 -7.445 -2.049 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.580 -7.025 -4.038 1.00 0.00 C ATOM 0 H THR A 91 6.890 -4.014 -3.993 1.00 0.00 H new ATOM 0 HA THR A 91 6.776 -4.982 -1.263 1.00 0.00 H new ATOM 0 HB THR A 91 5.648 -6.866 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.538 -8.400 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.284 -8.067 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.857 -6.380 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.566 -6.873 -4.477 1.00 0.00 H new ATOM 1290 N HIS A 92 9.245 -5.335 -1.337 1.00 0.00 N ATOM 1291 CA HIS A 92 10.688 -5.165 -1.305 1.00 0.00 C ATOM 1292 C HIS A 92 11.359 -6.361 -1.984 1.00 0.00 C ATOM 1293 O HIS A 92 12.586 -6.438 -2.042 1.00 0.00 O ATOM 1294 CB HIS A 92 11.177 -4.945 0.128 1.00 0.00 C ATOM 1295 CG HIS A 92 10.902 -3.561 0.664 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.606 -3.014 1.722 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.993 -2.620 0.278 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.133 -1.797 1.955 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.134 -1.556 1.059 1.00 0.00 N ATOM 0 H HIS A 92 8.842 -5.727 -0.486 1.00 0.00 H new ATOM 0 HA HIS A 92 10.966 -4.271 -1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.701 -5.677 0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.250 -5.133 0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.280 -2.723 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.478 -1.117 2.720 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.585 -0.699 0.999 1.00 0.00 H new ATOM 1308 N THR A 93 10.526 -7.264 -2.479 1.00 0.00 N ATOM 1309 CA THR A 93 11.024 -8.453 -3.151 1.00 0.00 C ATOM 1310 C THR A 93 12.246 -8.110 -4.005 1.00 0.00 C ATOM 1311 O THR A 93 12.111 -7.744 -5.172 1.00 0.00 O ATOM 1312 CB THR A 93 9.872 -9.059 -3.956 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.278 -9.993 -3.060 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.362 -9.920 -5.122 1.00 0.00 C ATOM 0 H THR A 93 9.509 -7.197 -2.428 1.00 0.00 H new ATOM 0 HA THR A 93 11.366 -9.199 -2.433 1.00 0.00 H new ATOM 0 HB THR A 93 9.235 -8.261 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.520 -10.432 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.505 -10.326 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.960 -9.310 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.971 -10.739 -4.739 1.00 0.00 H new ATOM 1322 N GLY A 94 13.413 -8.240 -3.391 1.00 0.00 N ATOM 1323 CA GLY A 94 14.659 -7.949 -4.080 1.00 0.00 C ATOM 1324 C GLY A 94 14.468 -6.832 -5.107 1.00 0.00 C ATOM 1325 O GLY A 94 14.998 -6.907 -6.216 1.00 0.00 O ATOM 0 H GLY A 94 13.522 -8.543 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.420 -7.656 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.022 -8.848 -4.578 1.00 0.00 H new ATOM 1329 N ALA A 95 13.711 -5.823 -4.704 1.00 0.00 N ATOM 1330 CA ALA A 95 13.444 -4.692 -5.577 1.00 0.00 C ATOM 1331 C ALA A 95 14.757 -3.971 -5.888 1.00 0.00 C ATOM 1332 O ALA A 95 14.798 -3.088 -6.743 1.00 0.00 O ATOM 1333 CB ALA A 95 12.414 -3.771 -4.920 1.00 0.00 C ATOM 0 H ALA A 95 13.274 -5.764 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 95 13.022 -5.030 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.214 -2.923 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.490 -4.323 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.803 -3.410 -3.968 1.00 0.00 H new ATOM 1339 N SER A 96 15.798 -4.375 -5.175 1.00 0.00 N ATOM 1340 CA SER A 96 17.111 -3.778 -5.363 1.00 0.00 C ATOM 1341 C SER A 96 17.347 -2.693 -4.312 1.00 0.00 C ATOM 1342 O SER A 96 17.778 -1.588 -4.640 1.00 0.00 O ATOM 1343 CB SER A 96 17.253 -3.194 -6.770 1.00 0.00 C ATOM 1344 OG SER A 96 18.617 -3.092 -7.170 1.00 0.00 O ATOM 0 H SER A 96 15.760 -5.108 -4.467 1.00 0.00 H new ATOM 0 HA SER A 96 17.863 -4.559 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.713 -3.821 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.791 -2.207 -6.801 1.00 0.00 H new ATOM 0 HG SER A 96 18.666 -2.716 -8.074 1.00 0.00 H new ATOM 1350 N GLY A 97 17.055 -3.045 -3.068 1.00 0.00 N ATOM 1351 CA GLY A 97 17.232 -2.113 -1.966 1.00 0.00 C ATOM 1352 C GLY A 97 15.900 -1.837 -1.264 1.00 0.00 C ATOM 1353 O GLY A 97 15.167 -2.766 -0.929 1.00 0.00 O ATOM 0 H GLY A 97 16.697 -3.962 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.947 -2.521 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.652 -1.179 -2.339 1.00 0.00 H new ATOM 1357 N ASN A 98 15.630 -0.556 -1.061 1.00 0.00 N ATOM 1358 CA ASN A 98 14.401 -0.146 -0.405 1.00 0.00 C ATOM 1359 C ASN A 98 13.348 0.186 -1.465 1.00 0.00 C ATOM 1360 O ASN A 98 12.245 0.618 -1.135 1.00 0.00 O ATOM 1361 CB ASN A 98 14.623 1.104 0.448 1.00 0.00 C ATOM 1362 CG ASN A 98 13.299 1.623 1.016 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.089 2.813 1.182 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.422 0.665 1.303 1.00 0.00 N ATOM 0 H ASN A 98 16.242 0.211 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 98 14.070 -0.965 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.308 0.875 1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.094 1.881 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.509 0.908 1.687 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.663 -0.313 1.139 1.00 0.00 H new ATOM 1371 N ASN A 99 13.727 -0.028 -2.717 1.00 0.00 N ATOM 1372 CA ASN A 99 12.829 0.243 -3.827 1.00 0.00 C ATOM 1373 C ASN A 99 11.622 -0.693 -3.742 1.00 0.00 C ATOM 1374 O ASN A 99 11.684 -1.733 -3.088 1.00 0.00 O ATOM 1375 CB ASN A 99 13.523 -0.002 -5.168 1.00 0.00 C ATOM 1376 CG ASN A 99 14.699 -0.968 -5.010 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.762 -0.792 -5.581 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.448 -1.997 -4.205 1.00 0.00 N ATOM 0 H ASN A 99 14.643 -0.386 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 99 12.521 1.287 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.807 -0.409 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.878 0.944 -5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.168 -2.699 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.535 -2.084 -3.758 1.00 0.00 H new ATOM 1385 N PHE A 100 10.552 -0.291 -4.412 1.00 0.00 N ATOM 1386 CA PHE A 100 9.334 -1.080 -4.420 1.00 0.00 C ATOM 1387 C PHE A 100 9.028 -1.604 -5.826 1.00 0.00 C ATOM 1388 O PHE A 100 9.554 -1.088 -6.811 1.00 0.00 O ATOM 1389 CB PHE A 100 8.198 -0.156 -3.975 1.00 0.00 C ATOM 1390 CG PHE A 100 7.998 -0.101 -2.459 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.652 -1.226 -1.778 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.168 1.072 -1.793 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.467 -1.175 -0.371 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.983 1.123 -0.386 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.637 -0.002 0.296 1.00 0.00 C ATOM 0 H PHE A 100 10.504 0.572 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 100 9.444 -1.938 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.398 0.851 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.270 -0.487 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.518 -2.158 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.444 1.965 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.191 -2.068 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.117 2.055 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.497 0.036 1.366 1.00 0.00 H new ATOM 1405 N VAL A 101 8.179 -2.619 -5.873 1.00 0.00 N ATOM 1406 CA VAL A 101 7.798 -3.217 -7.141 1.00 0.00 C ATOM 1407 C VAL A 101 6.504 -4.013 -6.956 1.00 0.00 C ATOM 1408 O VAL A 101 6.363 -4.759 -5.989 1.00 0.00 O ATOM 1409 CB VAL A 101 8.949 -4.065 -7.687 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.208 -3.219 -7.881 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.226 -5.263 -6.777 1.00 0.00 C ATOM 0 H VAL A 101 7.744 -3.043 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 101 7.601 -2.444 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 101 8.651 -4.449 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.011 -3.845 -8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.001 -2.415 -8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.511 -2.793 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.048 -5.849 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.494 -4.909 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.333 -5.885 -6.713 1.00 0.00 H new ATOM 1421 N GLU A 102 5.592 -3.826 -7.898 1.00 0.00 N ATOM 1422 CA GLU A 102 4.314 -4.517 -7.852 1.00 0.00 C ATOM 1423 C GLU A 102 4.532 -6.024 -7.703 1.00 0.00 C ATOM 1424 O GLU A 102 5.238 -6.636 -8.504 1.00 0.00 O ATOM 1425 CB GLU A 102 3.476 -4.205 -9.093 1.00 0.00 C ATOM 1426 CG GLU A 102 3.914 -2.885 -9.732 1.00 0.00 C ATOM 1427 CD GLU A 102 2.826 -2.336 -10.657 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.842 -2.726 -11.846 1.00 0.00 O ATOM 1429 OE2 GLU A 102 2.002 -1.541 -10.157 1.00 0.00 O ATOM 0 H GLU A 102 5.712 -3.205 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 102 3.761 -4.161 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.576 -5.014 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.422 -4.149 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.136 -2.156 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.834 -3.038 -10.297 1.00 0.00 H new ATOM 1436 N CYS A 103 3.912 -6.580 -6.671 1.00 0.00 N ATOM 1437 CA CYS A 103 4.029 -8.005 -6.408 1.00 0.00 C ATOM 1438 C CYS A 103 3.595 -8.763 -7.663 1.00 0.00 C ATOM 1439 O CYS A 103 3.509 -8.183 -8.745 1.00 0.00 O ATOM 1440 CB CYS A 103 3.216 -8.420 -5.180 1.00 0.00 C ATOM 1441 SG CYS A 103 3.658 -7.545 -3.634 1.00 0.00 S ATOM 0 H CYS A 103 3.328 -6.070 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 103 5.065 -8.252 -6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.159 -8.251 -5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.342 -9.491 -5.023 1.00 0.00 H new ATOM 0 HG CYS A 103 2.853 -7.913 -2.682 1.00 0.00 H new ATOM 1446 N THR A 104 3.333 -10.048 -7.478 1.00 0.00 N ATOM 1447 CA THR A 104 2.910 -10.892 -8.583 1.00 0.00 C ATOM 1448 C THR A 104 1.436 -11.275 -8.428 1.00 0.00 C ATOM 1449 O THR A 104 0.550 -10.486 -8.749 1.00 0.00 O ATOM 1450 CB THR A 104 3.848 -12.100 -8.641 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.631 -12.769 -7.402 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.323 -11.697 -8.594 1.00 0.00 C ATOM 0 H THR A 104 3.405 -10.526 -6.580 1.00 0.00 H new ATOM 0 HA THR A 104 2.978 -10.363 -9.533 1.00 0.00 H new ATOM 0 HB THR A 104 3.655 -12.666 -9.552 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.057 -12.264 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.946 -12.590 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.552 -11.053 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.524 -11.160 -7.667 1.00 0.00 H new