USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 29 THR OG1 : rot 43:sc= 0.0347 USER MOD Set 1.2: B 70 GLN : amide:sc= -2.08! X(o=-2!,f=-1.8) USER MOD Set 2.1: B 39 MET CE :methyl 152:sc= -7.05! (180deg=-12!) USER MOD Set 2.2: B 59 MET CE :methyl -171:sc= -22.9! (180deg=-23.9!) USER MOD Set 3.1: A 29 THR OG1 : rot 46:sc= -0.049 USER MOD Set 3.2: A 70 GLN : amide:sc= -1.86 X(o=-1.9,f=-1.9!) USER MOD Set 4.1: A 39 MET CE :methyl 151:sc= -6.97! (180deg=-12.1!) USER MOD Set 4.2: A 59 MET CE :methyl -174:sc= -23.2! (180deg=-23.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -130:sc= -0.0853 USER MOD Single : A 9 CYS SG : rot -66:sc= -3.15 USER MOD Single : A 12 SER OG : rot 105:sc= 1.15 USER MOD Single : A 18 GLN :FLIP amide:sc= -4.85! C(o=-7.2!,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -1.14 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= -0.362 (180deg=-1.34!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.512 F(o=-1,f=-0.51) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 178:sc= -3.76! (180deg=-3.85!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.15 F(o=-4.6!,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.87) USER MOD Single : A 87 CYS SG : rot -149:sc= 0.276 USER MOD Single : A 88 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.49) USER MOD Single : A 90 SER OG : rot 45:sc= 0.96 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -130:sc= -0.0777 USER MOD Single : B 9 CYS SG : rot -61:sc= -3.15 USER MOD Single : B 12 SER OG : rot 64:sc= 1.16 USER MOD Single : B 18 GLN :FLIP amide:sc= -4.98! C(o=-7.2!,f=-5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= -1.05 USER MOD Single : B 32 LYS NZ :NH3+ 151:sc= -0.434 (180deg=-1.38!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN :FLIP amide:sc= -0.497 F(o=-1.1,f=-0.5) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl -178:sc= -3.7! (180deg=-3.76!) USER MOD Single : B 74 GLN :FLIP amide:sc= -1.15 F(o=-4.5!,f=-1.2) USER MOD Single : B 78 ASN : amide:sc= -0.915 X(o=-0.92,f=-0.72) USER MOD Single : B 87 CYS SG : rot -147:sc= 0.239 USER MOD Single : B 88 HIS : no HD1:sc= -0.732 X(o=-0.73,f=-0.5) USER MOD Single : B 90 SER OG : rot -4:sc= 0.946 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.291 -3.511 15.630 1.00 0.00 N ATOM 52 CA THR A 4 7.698 -2.258 15.004 1.00 0.00 C ATOM 53 C THR A 4 6.525 -1.587 14.305 1.00 0.00 C ATOM 54 O THR A 4 5.655 -2.247 13.738 1.00 0.00 O ATOM 55 CB THR A 4 8.851 -2.490 14.016 1.00 0.00 C ATOM 56 OG1 THR A 4 8.923 -1.439 13.070 1.00 0.00 O ATOM 57 CG2 THR A 4 8.749 -3.791 13.247 1.00 0.00 C ATOM 0 HA THR A 4 8.048 -1.592 15.792 1.00 0.00 H new ATOM 0 HB THR A 4 9.746 -2.530 14.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.665 -1.606 12.452 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.599 -3.882 12.571 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.750 -4.628 13.946 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.824 -3.801 12.670 1.00 0.00 H new ATOM 65 N GLU A 5 6.516 -0.262 14.360 1.00 0.00 N ATOM 66 CA GLU A 5 5.466 0.536 13.745 1.00 0.00 C ATOM 67 C GLU A 5 5.149 0.033 12.340 1.00 0.00 C ATOM 68 O GLU A 5 3.988 -0.190 11.995 1.00 0.00 O ATOM 69 CB GLU A 5 5.909 1.994 13.704 1.00 0.00 C ATOM 70 CG GLU A 5 4.811 2.978 14.075 1.00 0.00 C ATOM 71 CD GLU A 5 4.252 3.709 12.870 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.044 4.334 12.134 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.021 3.657 12.663 1.00 0.00 O ATOM 0 H GLU A 5 7.234 0.288 14.831 1.00 0.00 H new ATOM 0 HA GLU A 5 4.556 0.447 14.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.750 2.128 14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.270 2.227 12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.005 2.444 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.204 3.705 14.786 1.00 0.00 H new ATOM 80 N THR A 6 6.192 -0.160 11.542 1.00 0.00 N ATOM 81 CA THR A 6 6.031 -0.656 10.182 1.00 0.00 C ATOM 82 C THR A 6 5.422 -2.054 10.203 1.00 0.00 C ATOM 83 O THR A 6 4.561 -2.379 9.394 1.00 0.00 O ATOM 84 CB THR A 6 7.384 -0.687 9.469 1.00 0.00 C ATOM 85 OG1 THR A 6 8.232 0.337 9.956 1.00 0.00 O ATOM 86 CG2 THR A 6 7.275 -0.515 7.969 1.00 0.00 C ATOM 0 H THR A 6 7.159 0.020 11.814 1.00 0.00 H new ATOM 0 HA THR A 6 5.362 0.014 9.641 1.00 0.00 H new ATOM 0 HB THR A 6 7.796 -1.674 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.606 0.838 9.202 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.270 -0.547 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.667 -1.319 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.809 0.445 7.746 1.00 0.00 H new ATOM 94 N GLU A 7 5.866 -2.880 11.144 1.00 0.00 N ATOM 95 CA GLU A 7 5.356 -4.244 11.256 1.00 0.00 C ATOM 96 C GLU A 7 3.831 -4.247 11.284 1.00 0.00 C ATOM 97 O GLU A 7 3.192 -5.132 10.714 1.00 0.00 O ATOM 98 CB GLU A 7 5.905 -4.915 12.520 1.00 0.00 C ATOM 99 CG GLU A 7 6.947 -5.984 12.236 1.00 0.00 C ATOM 100 CD GLU A 7 6.335 -7.276 11.731 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.572 -7.224 10.742 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.615 -8.338 12.324 1.00 0.00 O ATOM 0 H GLU A 7 6.573 -2.633 11.836 1.00 0.00 H new ATOM 0 HA GLU A 7 5.689 -4.806 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.344 -4.153 13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.079 -5.362 13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.655 -5.609 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.513 -6.186 13.146 1.00 0.00 H new ATOM 109 N ARG A 8 3.255 -3.243 11.931 1.00 0.00 N ATOM 110 CA ARG A 8 1.806 -3.121 12.010 1.00 0.00 C ATOM 111 C ARG A 8 1.242 -2.528 10.718 1.00 0.00 C ATOM 112 O ARG A 8 0.087 -2.770 10.369 1.00 0.00 O ATOM 113 CB ARG A 8 1.410 -2.250 13.205 1.00 0.00 C ATOM 114 CG ARG A 8 1.043 -3.049 14.444 1.00 0.00 C ATOM 115 CD ARG A 8 0.380 -2.172 15.495 1.00 0.00 C ATOM 116 NE ARG A 8 1.334 -1.700 16.495 1.00 0.00 N ATOM 117 CZ ARG A 8 1.018 -0.871 17.488 1.00 0.00 C ATOM 118 NH1 ARG A 8 -0.224 -0.422 17.616 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.947 -0.491 18.355 1.00 0.00 N ATOM 0 H ARG A 8 3.768 -2.502 12.408 1.00 0.00 H new ATOM 0 HA ARG A 8 1.386 -4.118 12.145 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.236 -1.581 13.446 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.564 -1.623 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.370 -3.861 14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.940 -3.506 14.863 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.089 -1.316 15.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.414 -2.734 15.988 1.00 0.00 H new ATOM 0 HE ARG A 8 2.299 -2.024 16.429 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.942 -0.712 16.952 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.461 0.213 18.378 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.903 -0.834 18.261 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.705 0.144 19.116 1.00 0.00 H new ATOM 132 N CYS A 9 2.061 -1.741 10.021 1.00 0.00 N ATOM 133 CA CYS A 9 1.636 -1.103 8.777 1.00 0.00 C ATOM 134 C CYS A 9 1.391 -2.132 7.675 1.00 0.00 C ATOM 135 O CYS A 9 0.419 -2.029 6.926 1.00 0.00 O ATOM 136 CB CYS A 9 2.674 -0.061 8.323 1.00 0.00 C ATOM 137 SG CYS A 9 4.041 -0.705 7.320 1.00 0.00 S ATOM 0 H CYS A 9 3.020 -1.531 10.296 1.00 0.00 H new ATOM 0 HA CYS A 9 0.692 -0.594 8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.161 0.712 7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.091 0.420 9.208 1.00 0.00 H new ATOM 0 HG CYS A 9 4.773 -1.500 8.043 1.00 0.00 H new ATOM 143 N ILE A 10 2.277 -3.115 7.574 1.00 0.00 N ATOM 144 CA ILE A 10 2.155 -4.147 6.560 1.00 0.00 C ATOM 145 C ILE A 10 0.996 -5.089 6.853 1.00 0.00 C ATOM 146 O ILE A 10 0.130 -5.301 6.009 1.00 0.00 O ATOM 147 CB ILE A 10 3.448 -4.977 6.447 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.653 -4.068 6.235 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.339 -5.972 5.304 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.487 -3.860 7.473 1.00 0.00 C ATOM 0 H ILE A 10 3.088 -3.217 8.184 1.00 0.00 H new ATOM 0 HA ILE A 10 1.969 -3.632 5.618 1.00 0.00 H new ATOM 0 HB ILE A 10 3.585 -5.524 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.282 -4.492 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.306 -3.099 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.260 -6.551 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.500 -6.644 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.178 -5.436 4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.325 -3.202 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.875 -3.406 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.866 -4.821 7.822 1.00 0.00 H new ATOM 162 N GLU A 11 0.995 -5.669 8.047 1.00 0.00 N ATOM 163 CA GLU A 11 -0.045 -6.615 8.436 1.00 0.00 C ATOM 164 C GLU A 11 -1.444 -6.052 8.219 1.00 0.00 C ATOM 165 O GLU A 11 -2.395 -6.804 8.015 1.00 0.00 O ATOM 166 CB GLU A 11 0.131 -7.037 9.893 1.00 0.00 C ATOM 167 CG GLU A 11 0.147 -8.544 10.075 1.00 0.00 C ATOM 168 CD GLU A 11 -0.792 -9.011 11.171 1.00 0.00 C ATOM 169 OE1 GLU A 11 -0.370 -9.028 12.346 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.949 -9.361 10.854 1.00 0.00 O ATOM 0 H GLU A 11 1.702 -5.501 8.763 1.00 0.00 H new ATOM 0 HA GLU A 11 0.061 -7.489 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.062 -6.620 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.677 -6.613 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.131 -9.022 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.161 -8.867 10.309 1.00 0.00 H new ATOM 177 N SER A 12 -1.573 -4.734 8.273 1.00 0.00 N ATOM 178 CA SER A 12 -2.872 -4.103 8.090 1.00 0.00 C ATOM 179 C SER A 12 -3.297 -4.094 6.619 1.00 0.00 C ATOM 180 O SER A 12 -4.371 -4.584 6.281 1.00 0.00 O ATOM 181 CB SER A 12 -2.842 -2.677 8.638 1.00 0.00 C ATOM 182 OG SER A 12 -2.366 -2.654 9.973 1.00 0.00 O ATOM 0 H SER A 12 -0.803 -4.087 8.440 1.00 0.00 H new ATOM 0 HA SER A 12 -3.607 -4.689 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.203 -2.056 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.843 -2.247 8.598 1.00 0.00 H new ATOM 0 HG SER A 12 -1.447 -2.313 9.987 1.00 0.00 H new ATOM 188 N LEU A 13 -2.460 -3.530 5.749 1.00 0.00 N ATOM 189 CA LEU A 13 -2.770 -3.455 4.325 1.00 0.00 C ATOM 190 C LEU A 13 -2.990 -4.838 3.708 1.00 0.00 C ATOM 191 O LEU A 13 -3.722 -4.983 2.729 1.00 0.00 O ATOM 192 CB LEU A 13 -1.668 -2.700 3.595 1.00 0.00 C ATOM 193 CG LEU A 13 -1.891 -1.190 3.510 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.231 -0.883 2.861 1.00 0.00 C ATOM 195 CD2 LEU A 13 -1.827 -0.548 4.887 1.00 0.00 C ATOM 0 H LEU A 13 -1.563 -3.119 6.007 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.708 -2.911 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.720 -2.888 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.577 -3.100 2.585 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.094 -0.772 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.371 0.197 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.252 -1.300 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.032 -1.325 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.989 0.526 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.599 -0.978 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.847 -0.731 5.328 1.00 0.00 H new ATOM 207 N ILE A 14 -2.375 -5.854 4.284 1.00 0.00 N ATOM 208 CA ILE A 14 -2.536 -7.209 3.800 1.00 0.00 C ATOM 209 C ILE A 14 -3.895 -7.737 4.166 1.00 0.00 C ATOM 210 O ILE A 14 -4.521 -8.469 3.411 1.00 0.00 O ATOM 211 CB ILE A 14 -1.529 -8.145 4.455 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.132 -7.571 4.417 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.572 -9.500 3.804 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.700 -8.078 5.558 1.00 0.00 C ATOM 0 H ILE A 14 -1.757 -5.764 5.091 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.395 -7.177 2.720 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.806 -8.255 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.345 -7.833 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.183 -6.483 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.847 -10.157 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.571 -9.923 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.330 -9.403 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.699 -7.645 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.235 -7.793 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.771 -9.164 5.502 1.00 0.00 H new ATOM 226 N ALA A 15 -4.307 -7.375 5.362 1.00 0.00 N ATOM 227 CA ALA A 15 -5.557 -7.816 5.928 1.00 0.00 C ATOM 228 C ALA A 15 -6.745 -7.124 5.280 1.00 0.00 C ATOM 229 O ALA A 15 -7.782 -7.745 5.048 1.00 0.00 O ATOM 230 CB ALA A 15 -5.494 -7.579 7.421 1.00 0.00 C ATOM 0 H ALA A 15 -3.774 -6.758 5.974 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.704 -8.878 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.428 -7.903 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.665 -8.146 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.344 -6.517 7.615 1.00 0.00 H new ATOM 236 N VAL A 16 -6.586 -5.850 4.955 1.00 0.00 N ATOM 237 CA VAL A 16 -7.639 -5.102 4.301 1.00 0.00 C ATOM 238 C VAL A 16 -8.040 -5.798 3.009 1.00 0.00 C ATOM 239 O VAL A 16 -9.205 -5.797 2.614 1.00 0.00 O ATOM 240 CB VAL A 16 -7.166 -3.680 3.961 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.670 -2.968 5.195 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.063 -3.729 2.927 1.00 0.00 C ATOM 0 H VAL A 16 -5.736 -5.316 5.135 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.488 -5.048 4.982 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.016 -3.130 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.341 -1.964 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.476 -2.903 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.835 -3.522 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.737 -2.715 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.222 -4.300 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.435 -4.207 2.021 1.00 0.00 H new ATOM 252 N PHE A 17 -7.039 -6.371 2.345 1.00 0.00 N ATOM 253 CA PHE A 17 -7.257 -7.056 1.072 1.00 0.00 C ATOM 254 C PHE A 17 -7.819 -8.469 1.251 1.00 0.00 C ATOM 255 O PHE A 17 -8.897 -8.773 0.745 1.00 0.00 O ATOM 256 CB PHE A 17 -5.937 -7.115 0.289 1.00 0.00 C ATOM 257 CG PHE A 17 -5.854 -8.244 -0.702 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.773 -8.350 -1.733 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.855 -9.200 -0.598 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.698 -9.390 -2.641 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.774 -10.240 -1.503 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.697 -10.335 -2.526 1.00 0.00 C ATOM 0 H PHE A 17 -6.071 -6.375 2.666 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.001 -6.484 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.800 -6.172 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.113 -7.207 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.556 -7.613 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.131 -9.130 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.421 -9.463 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.990 -10.978 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.636 -11.147 -3.235 1.00 0.00 H new ATOM 272 N GLN A 18 -7.081 -9.329 1.950 1.00 0.00 N ATOM 273 CA GLN A 18 -7.509 -10.716 2.157 1.00 0.00 C ATOM 274 C GLN A 18 -8.788 -10.817 2.980 1.00 0.00 C ATOM 275 O GLN A 18 -9.641 -11.656 2.699 1.00 0.00 O ATOM 276 CB GLN A 18 -6.408 -11.536 2.825 1.00 0.00 C ATOM 277 CG GLN A 18 -5.688 -10.798 3.931 1.00 0.00 C ATOM 278 CD GLN A 18 -4.290 -11.324 4.161 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.515 -11.410 3.088 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.910 -11.649 5.286 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.187 -9.094 2.382 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.715 -11.122 1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.843 -12.449 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.683 -11.838 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.638 -9.738 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.262 -10.883 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.542 -11.565 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.963 -12.002 5.422 1.00 0.00 H new ATOM 289 N LYS A 19 -8.922 -9.979 4.005 1.00 0.00 N ATOM 290 CA LYS A 19 -10.110 -10.015 4.857 1.00 0.00 C ATOM 291 C LYS A 19 -11.381 -10.045 4.014 1.00 0.00 C ATOM 292 O LYS A 19 -12.242 -10.904 4.202 1.00 0.00 O ATOM 293 CB LYS A 19 -10.136 -8.808 5.797 1.00 0.00 C ATOM 294 CG LYS A 19 -11.306 -8.816 6.765 1.00 0.00 C ATOM 295 CD LYS A 19 -11.032 -9.711 7.965 1.00 0.00 C ATOM 296 CE LYS A 19 -9.824 -9.231 8.754 1.00 0.00 C ATOM 297 NZ LYS A 19 -9.768 -9.841 10.111 1.00 0.00 N ATOM 0 H LYS A 19 -8.232 -9.274 4.265 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.067 -10.926 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.206 -8.780 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.174 -7.895 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.504 -7.800 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.203 -9.161 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.908 -9.730 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.864 -10.734 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.913 -9.476 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.858 -8.145 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.930 -9.488 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.625 -9.586 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.709 -10.876 10.024 1.00 0.00 H new ATOM 311 N TYR A 20 -11.477 -9.120 3.065 1.00 0.00 N ATOM 312 CA TYR A 20 -12.625 -9.062 2.171 1.00 0.00 C ATOM 313 C TYR A 20 -12.468 -10.109 1.082 1.00 0.00 C ATOM 314 O TYR A 20 -13.423 -10.768 0.675 1.00 0.00 O ATOM 315 CB TYR A 20 -12.758 -7.668 1.549 1.00 0.00 C ATOM 316 CG TYR A 20 -12.400 -6.534 2.488 1.00 0.00 C ATOM 317 CD1 TYR A 20 -12.591 -6.650 3.860 1.00 0.00 C ATOM 318 CD2 TYR A 20 -11.873 -5.347 1.998 1.00 0.00 C ATOM 319 CE1 TYR A 20 -12.265 -5.615 4.717 1.00 0.00 C ATOM 320 CE2 TYR A 20 -11.543 -4.307 2.849 1.00 0.00 C ATOM 321 CZ TYR A 20 -11.742 -4.446 4.205 1.00 0.00 C ATOM 322 OH TYR A 20 -11.415 -3.415 5.055 1.00 0.00 O ATOM 0 H TYR A 20 -10.773 -8.401 2.896 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.530 -9.265 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.118 -7.612 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.784 -7.531 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.001 -7.564 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.718 -5.233 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.419 -5.721 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.131 -3.391 2.452 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.058 -2.664 4.536 1.00 0.00 H new ATOM 332 N ALA A 21 -11.233 -10.232 0.620 1.00 0.00 N ATOM 333 CA ALA A 21 -10.872 -11.170 -0.429 1.00 0.00 C ATOM 334 C ALA A 21 -11.185 -12.612 -0.041 1.00 0.00 C ATOM 335 O ALA A 21 -11.276 -13.487 -0.902 1.00 0.00 O ATOM 336 CB ALA A 21 -9.394 -11.003 -0.742 1.00 0.00 C ATOM 0 H ALA A 21 -10.448 -9.679 0.966 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.468 -10.952 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.107 -11.701 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.206 -9.983 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.807 -11.205 0.154 1.00 0.00 H new ATOM 342 N GLY A 22 -11.348 -12.858 1.254 1.00 0.00 N ATOM 343 CA GLY A 22 -11.645 -14.199 1.721 1.00 0.00 C ATOM 344 C GLY A 22 -12.968 -14.281 2.455 1.00 0.00 C ATOM 345 O GLY A 22 -13.681 -15.279 2.351 1.00 0.00 O ATOM 0 H GLY A 22 -11.280 -12.153 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.663 -14.880 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.846 -14.535 2.382 1.00 0.00 H new ATOM 419 N VAL A 28 -7.856 -16.243 -2.576 1.00 0.00 N ATOM 420 CA VAL A 28 -7.048 -15.579 -3.591 1.00 0.00 C ATOM 421 C VAL A 28 -7.818 -14.442 -4.252 1.00 0.00 C ATOM 422 O VAL A 28 -8.992 -14.590 -4.592 1.00 0.00 O ATOM 423 CB VAL A 28 -6.582 -16.570 -4.676 1.00 0.00 C ATOM 424 CG1 VAL A 28 -5.616 -15.896 -5.638 1.00 0.00 C ATOM 425 CG2 VAL A 28 -5.943 -17.796 -4.041 1.00 0.00 C ATOM 0 HA VAL A 28 -6.174 -15.172 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.455 -16.895 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.299 -16.612 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.111 -15.053 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.745 -15.539 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.620 -18.484 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.081 -17.491 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.669 -18.293 -3.397 1.00 0.00 H new ATOM 435 N THR A 29 -7.143 -13.309 -4.425 1.00 0.00 N ATOM 436 CA THR A 29 -7.740 -12.126 -5.041 1.00 0.00 C ATOM 437 C THR A 29 -9.001 -11.691 -4.302 1.00 0.00 C ATOM 438 O THR A 29 -9.664 -12.495 -3.648 1.00 0.00 O ATOM 439 CB THR A 29 -8.055 -12.368 -6.520 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.584 -13.664 -6.729 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.846 -12.214 -7.416 1.00 0.00 C ATOM 0 H THR A 29 -6.171 -13.184 -4.144 1.00 0.00 H new ATOM 0 HA THR A 29 -7.006 -11.323 -4.971 1.00 0.00 H new ATOM 0 HB THR A 29 -8.789 -11.606 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.269 -13.851 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.134 -12.398 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.451 -11.202 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.080 -12.931 -7.120 1.00 0.00 H new ATOM 449 N LEU A 30 -9.320 -10.409 -4.412 1.00 0.00 N ATOM 450 CA LEU A 30 -10.495 -9.851 -3.758 1.00 0.00 C ATOM 451 C LEU A 30 -11.632 -9.668 -4.773 1.00 0.00 C ATOM 452 O LEU A 30 -11.961 -10.598 -5.506 1.00 0.00 O ATOM 453 CB LEU A 30 -10.124 -8.524 -3.076 1.00 0.00 C ATOM 454 CG LEU A 30 -10.888 -8.207 -1.784 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.748 -6.735 -1.431 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.358 -8.587 -1.906 1.00 0.00 C ATOM 0 H LEU A 30 -8.778 -9.733 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.849 -10.540 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.057 -8.537 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.291 -7.713 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.452 -8.802 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.296 -6.528 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.695 -6.494 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.153 -6.127 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.873 -8.351 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.812 -8.028 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.442 -9.655 -2.106 1.00 0.00 H new ATOM 468 N SER A 31 -12.222 -8.475 -4.827 1.00 0.00 N ATOM 469 CA SER A 31 -13.301 -8.196 -5.764 1.00 0.00 C ATOM 470 C SER A 31 -13.640 -6.710 -5.742 1.00 0.00 C ATOM 471 O SER A 31 -13.940 -6.149 -4.689 1.00 0.00 O ATOM 472 CB SER A 31 -14.540 -9.033 -5.433 1.00 0.00 C ATOM 473 OG SER A 31 -14.290 -9.931 -4.364 1.00 0.00 O ATOM 0 H SER A 31 -11.968 -7.687 -4.231 1.00 0.00 H new ATOM 0 HA SER A 31 -12.968 -8.467 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.366 -8.373 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.848 -9.593 -6.316 1.00 0.00 H new ATOM 0 HG SER A 31 -15.100 -10.450 -4.176 1.00 0.00 H new ATOM 479 N LYS A 32 -13.576 -6.073 -6.908 1.00 0.00 N ATOM 480 CA LYS A 32 -13.862 -4.646 -7.013 1.00 0.00 C ATOM 481 C LYS A 32 -15.179 -4.297 -6.326 1.00 0.00 C ATOM 482 O LYS A 32 -15.307 -3.238 -5.713 1.00 0.00 O ATOM 483 CB LYS A 32 -13.901 -4.214 -8.483 1.00 0.00 C ATOM 484 CG LYS A 32 -15.082 -4.775 -9.262 1.00 0.00 C ATOM 485 CD LYS A 32 -14.876 -6.242 -9.608 1.00 0.00 C ATOM 486 CE LYS A 32 -15.740 -6.663 -10.785 1.00 0.00 C ATOM 487 NZ LYS A 32 -15.633 -5.709 -11.924 1.00 0.00 N ATOM 0 H LYS A 32 -13.329 -6.521 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.061 -4.106 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.932 -3.125 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.977 -4.528 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.993 -4.663 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.221 -4.200 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.827 -6.417 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.115 -6.858 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.442 -7.658 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.780 -6.731 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.762 -6.222 -12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.367 -4.978 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.695 -5.260 -11.914 1.00 0.00 H new ATOM 501 N THR A 33 -16.152 -5.197 -6.424 1.00 0.00 N ATOM 502 CA THR A 33 -17.449 -4.988 -5.807 1.00 0.00 C ATOM 503 C THR A 33 -17.362 -5.176 -4.293 1.00 0.00 C ATOM 504 O THR A 33 -17.939 -4.407 -3.530 1.00 0.00 O ATOM 505 CB THR A 33 -18.477 -5.949 -6.409 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.098 -5.371 -7.543 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.566 -6.344 -5.442 1.00 0.00 C ATOM 0 H THR A 33 -16.062 -6.080 -6.927 1.00 0.00 H new ATOM 0 HA THR A 33 -17.768 -3.965 -6.004 1.00 0.00 H new ATOM 0 HB THR A 33 -17.913 -6.842 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.750 -6.000 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.260 -7.026 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.123 -6.838 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.103 -5.454 -5.115 1.00 0.00 H new ATOM 515 N GLU A 34 -16.633 -6.197 -3.859 1.00 0.00 N ATOM 516 CA GLU A 34 -16.480 -6.456 -2.434 1.00 0.00 C ATOM 517 C GLU A 34 -15.826 -5.259 -1.755 1.00 0.00 C ATOM 518 O GLU A 34 -16.061 -4.989 -0.577 1.00 0.00 O ATOM 519 CB GLU A 34 -15.656 -7.722 -2.200 1.00 0.00 C ATOM 520 CG GLU A 34 -16.450 -8.837 -1.542 1.00 0.00 C ATOM 521 CD GLU A 34 -15.573 -9.802 -0.770 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.743 -10.489 -1.403 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.715 -9.871 0.469 1.00 0.00 O ATOM 0 H GLU A 34 -16.143 -6.853 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.468 -6.611 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.266 -8.076 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.797 -7.479 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.187 -8.403 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.001 -9.385 -2.306 1.00 0.00 H new ATOM 530 N PHE A 35 -15.016 -4.537 -2.522 1.00 0.00 N ATOM 531 CA PHE A 35 -14.334 -3.354 -2.018 1.00 0.00 C ATOM 532 C PHE A 35 -15.335 -2.216 -1.829 1.00 0.00 C ATOM 533 O PHE A 35 -15.183 -1.381 -0.940 1.00 0.00 O ATOM 534 CB PHE A 35 -13.230 -2.928 -2.994 1.00 0.00 C ATOM 535 CG PHE A 35 -12.017 -2.330 -2.334 1.00 0.00 C ATOM 536 CD1 PHE A 35 -12.128 -1.589 -1.167 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.759 -2.506 -2.891 1.00 0.00 C ATOM 538 CE1 PHE A 35 -11.012 -1.037 -0.570 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.639 -1.955 -2.296 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.766 -1.220 -1.135 1.00 0.00 C ATOM 0 H PHE A 35 -14.816 -4.753 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.881 -3.590 -1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.921 -3.796 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.642 -2.203 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.100 -1.442 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.653 -3.080 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.114 -0.462 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.665 -2.100 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.892 -0.789 -0.669 1.00 0.00 H new ATOM 550 N LEU A 36 -16.362 -2.195 -2.673 1.00 0.00 N ATOM 551 CA LEU A 36 -17.395 -1.166 -2.608 1.00 0.00 C ATOM 552 C LEU A 36 -17.948 -1.023 -1.208 1.00 0.00 C ATOM 553 O LEU A 36 -17.914 0.050 -0.606 1.00 0.00 O ATOM 554 CB LEU A 36 -18.554 -1.536 -3.527 1.00 0.00 C ATOM 555 CG LEU A 36 -18.526 -0.875 -4.884 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.641 0.631 -4.725 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.254 -1.259 -5.617 1.00 0.00 C ATOM 0 H LEU A 36 -16.501 -2.882 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.935 -0.227 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.558 -2.617 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.489 -1.275 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.374 -1.218 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.620 1.103 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.579 0.874 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.806 0.999 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.239 -0.779 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.389 -0.933 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.219 -2.341 -5.743 1.00 0.00 H new ATOM 569 N SER A 37 -18.487 -2.120 -0.717 1.00 0.00 N ATOM 570 CA SER A 37 -19.094 -2.144 0.599 1.00 0.00 C ATOM 571 C SER A 37 -18.070 -1.843 1.692 1.00 0.00 C ATOM 572 O SER A 37 -18.259 -0.934 2.499 1.00 0.00 O ATOM 573 CB SER A 37 -19.757 -3.499 0.856 1.00 0.00 C ATOM 574 OG SER A 37 -21.169 -3.383 0.870 1.00 0.00 O ATOM 0 H SER A 37 -18.517 -3.011 -1.212 1.00 0.00 H new ATOM 0 HA SER A 37 -19.855 -1.364 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.455 -4.207 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.413 -3.901 1.809 1.00 0.00 H new ATOM 0 HG SER A 37 -21.568 -4.263 1.034 1.00 0.00 H new ATOM 580 N PHE A 38 -16.989 -2.618 1.715 1.00 0.00 N ATOM 581 CA PHE A 38 -15.941 -2.438 2.714 1.00 0.00 C ATOM 582 C PHE A 38 -15.365 -1.026 2.660 1.00 0.00 C ATOM 583 O PHE A 38 -15.021 -0.446 3.689 1.00 0.00 O ATOM 584 CB PHE A 38 -14.829 -3.468 2.505 1.00 0.00 C ATOM 585 CG PHE A 38 -15.109 -4.790 3.160 1.00 0.00 C ATOM 586 CD1 PHE A 38 -15.167 -4.894 4.541 1.00 0.00 C ATOM 587 CD2 PHE A 38 -15.317 -5.927 2.397 1.00 0.00 C ATOM 588 CE1 PHE A 38 -15.426 -6.108 5.147 1.00 0.00 C ATOM 589 CE2 PHE A 38 -15.576 -7.144 2.998 1.00 0.00 C ATOM 590 CZ PHE A 38 -15.631 -7.235 4.375 1.00 0.00 C ATOM 0 H PHE A 38 -16.816 -3.375 1.054 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.385 -2.586 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.685 -3.624 1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.894 -3.067 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.008 -4.016 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.276 -5.862 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.468 -6.176 6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.735 -8.023 2.391 1.00 0.00 H new ATOM 0 HZ PHE A 38 -15.834 -8.185 4.847 1.00 0.00 H new ATOM 600 N MET A 39 -15.274 -0.476 1.455 1.00 0.00 N ATOM 601 CA MET A 39 -14.750 0.873 1.268 1.00 0.00 C ATOM 602 C MET A 39 -15.755 1.912 1.757 1.00 0.00 C ATOM 603 O MET A 39 -15.379 3.006 2.172 1.00 0.00 O ATOM 604 CB MET A 39 -14.420 1.115 -0.207 1.00 0.00 C ATOM 605 CG MET A 39 -13.989 2.540 -0.514 1.00 0.00 C ATOM 606 SD MET A 39 -12.328 2.635 -1.208 1.00 0.00 S ATOM 607 CE MET A 39 -11.345 2.146 0.207 1.00 0.00 C ATOM 0 H MET A 39 -15.556 -0.942 0.593 1.00 0.00 H new ATOM 0 HA MET A 39 -13.836 0.970 1.855 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.626 0.432 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.295 0.872 -0.810 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.696 2.985 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.030 3.132 0.400 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.429 1.665 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.094 3.027 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.913 1.448 0.821 1.00 0.00 H new ATOM 617 N ASN A 40 -17.033 1.556 1.713 1.00 0.00 N ATOM 618 CA ASN A 40 -18.092 2.451 2.161 1.00 0.00 C ATOM 619 C ASN A 40 -18.111 2.545 3.682 1.00 0.00 C ATOM 620 O ASN A 40 -18.676 3.478 4.252 1.00 0.00 O ATOM 621 CB ASN A 40 -19.450 1.966 1.650 1.00 0.00 C ATOM 622 CG ASN A 40 -19.764 2.485 0.261 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.017 1.571 -0.670 1.00 0.00 O flip ATOM 624 ND2 ASN A 40 -19.779 3.693 0.026 1.00 0.00 N flip ATOM 0 H ASN A 40 -17.361 0.653 1.371 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.894 3.443 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.463 0.876 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.230 2.287 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.579 4.360 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.992 4.027 -0.914 1.00 0.00 H new ATOM 631 N THR A 41 -17.503 1.558 4.334 1.00 0.00 N ATOM 632 CA THR A 41 -17.460 1.512 5.789 1.00 0.00 C ATOM 633 C THR A 41 -16.049 1.762 6.320 1.00 0.00 C ATOM 634 O THR A 41 -15.721 2.870 6.746 1.00 0.00 O ATOM 635 CB THR A 41 -17.970 0.154 6.276 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.718 -0.861 5.317 1.00 0.00 O ATOM 637 CG2 THR A 41 -19.450 0.146 6.556 1.00 0.00 C ATOM 0 H THR A 41 -17.033 0.778 3.875 1.00 0.00 H new ATOM 0 HA THR A 41 -18.102 2.305 6.171 1.00 0.00 H new ATOM 0 HB THR A 41 -17.429 -0.037 7.203 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.052 -1.719 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.750 -0.845 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.678 0.881 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.994 0.396 5.645 1.00 0.00 H new ATOM 645 N GLU A 42 -15.224 0.720 6.300 1.00 0.00 N ATOM 646 CA GLU A 42 -13.849 0.805 6.789 1.00 0.00 C ATOM 647 C GLU A 42 -13.129 2.036 6.244 1.00 0.00 C ATOM 648 O GLU A 42 -12.248 2.592 6.901 1.00 0.00 O ATOM 649 CB GLU A 42 -13.076 -0.459 6.406 1.00 0.00 C ATOM 650 CG GLU A 42 -13.771 -1.745 6.824 1.00 0.00 C ATOM 651 CD GLU A 42 -13.035 -2.474 7.931 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.473 -1.795 8.817 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.020 -3.722 7.913 1.00 0.00 O ATOM 0 H GLU A 42 -15.485 -0.201 5.948 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.891 0.895 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.926 -0.471 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.088 -0.424 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.783 -1.515 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.861 -2.402 5.959 1.00 0.00 H new ATOM 660 N LEU A 43 -13.503 2.457 5.041 1.00 0.00 N ATOM 661 CA LEU A 43 -12.888 3.620 4.415 1.00 0.00 C ATOM 662 C LEU A 43 -13.950 4.544 3.831 1.00 0.00 C ATOM 663 O LEU A 43 -13.883 4.929 2.664 1.00 0.00 O ATOM 664 CB LEU A 43 -11.910 3.178 3.325 1.00 0.00 C ATOM 665 CG LEU A 43 -10.554 2.690 3.841 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.677 2.223 2.690 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.860 3.789 4.634 1.00 0.00 C ATOM 0 H LEU A 43 -14.229 2.010 4.481 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.338 4.171 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.371 2.379 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.745 4.013 2.644 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.724 1.842 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.718 1.880 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.170 1.404 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.514 3.050 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.897 3.426 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.704 4.657 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.481 4.072 5.484 1.00 0.00 H new ATOM 679 N ALA A 44 -14.929 4.895 4.656 1.00 0.00 N ATOM 680 CA ALA A 44 -16.010 5.772 4.229 1.00 0.00 C ATOM 681 C ALA A 44 -15.559 7.227 4.224 1.00 0.00 C ATOM 682 O ALA A 44 -15.877 7.985 3.309 1.00 0.00 O ATOM 683 CB ALA A 44 -17.217 5.593 5.134 1.00 0.00 C ATOM 0 H ALA A 44 -14.996 4.585 5.625 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.290 5.502 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.019 6.254 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.557 4.558 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.942 5.838 6.160 1.00 0.00 H new ATOM 689 N ALA A 45 -14.811 7.604 5.254 1.00 0.00 N ATOM 690 CA ALA A 45 -14.307 8.966 5.378 1.00 0.00 C ATOM 691 C ALA A 45 -13.550 9.392 4.123 1.00 0.00 C ATOM 692 O ALA A 45 -13.475 10.577 3.803 1.00 0.00 O ATOM 693 CB ALA A 45 -13.414 9.079 6.605 1.00 0.00 C ATOM 0 H ALA A 45 -14.540 6.984 6.017 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.158 9.637 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.041 10.100 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.987 8.826 7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.573 8.393 6.507 1.00 0.00 H new ATOM 699 N PHE A 46 -12.990 8.415 3.415 1.00 0.00 N ATOM 700 CA PHE A 46 -12.241 8.688 2.194 1.00 0.00 C ATOM 701 C PHE A 46 -13.180 8.838 1.002 1.00 0.00 C ATOM 702 O PHE A 46 -12.987 9.705 0.151 1.00 0.00 O ATOM 703 CB PHE A 46 -11.233 7.568 1.929 1.00 0.00 C ATOM 704 CG PHE A 46 -10.080 7.555 2.891 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.297 7.418 4.253 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.778 7.682 2.434 1.00 0.00 C ATOM 707 CE1 PHE A 46 -9.238 7.406 5.140 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.715 7.670 3.317 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.945 7.533 4.671 1.00 0.00 C ATOM 0 H PHE A 46 -13.041 7.428 3.666 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.703 9.626 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.748 6.608 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.848 7.670 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.306 7.319 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.592 7.792 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.421 7.297 6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.705 7.768 2.948 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.115 7.525 5.363 1.00 0.00 H new ATOM 719 N THR A 47 -14.200 7.986 0.949 1.00 0.00 N ATOM 720 CA THR A 47 -15.172 8.024 -0.138 1.00 0.00 C ATOM 721 C THR A 47 -16.323 8.976 0.195 1.00 0.00 C ATOM 722 O THR A 47 -16.299 10.144 -0.193 1.00 0.00 O ATOM 723 CB THR A 47 -15.697 6.614 -0.425 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.528 6.157 0.626 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.594 5.594 -0.605 1.00 0.00 C ATOM 0 H THR A 47 -14.374 7.262 1.646 1.00 0.00 H new ATOM 0 HA THR A 47 -14.677 8.399 -1.034 1.00 0.00 H new ATOM 0 HB THR A 47 -16.254 6.702 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.852 5.256 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.032 4.616 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.961 5.887 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.993 5.543 0.303 1.00 0.00 H new ATOM 841 N VAL A 55 -10.607 10.379 -6.378 1.00 0.00 N ATOM 842 CA VAL A 55 -10.064 9.485 -5.358 1.00 0.00 C ATOM 843 C VAL A 55 -10.452 8.033 -5.626 1.00 0.00 C ATOM 844 O VAL A 55 -9.590 7.179 -5.836 1.00 0.00 O ATOM 845 CB VAL A 55 -10.542 9.882 -3.946 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.855 9.031 -2.890 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.291 11.361 -3.695 1.00 0.00 C ATOM 0 HA VAL A 55 -8.979 9.580 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.615 9.702 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.205 9.326 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.090 7.980 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.776 9.176 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.634 11.624 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.224 11.568 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.834 11.952 -4.432 1.00 0.00 H new ATOM 857 N LEU A 56 -11.753 7.759 -5.624 1.00 0.00 N ATOM 858 CA LEU A 56 -12.255 6.419 -5.872 1.00 0.00 C ATOM 859 C LEU A 56 -12.010 6.018 -7.322 1.00 0.00 C ATOM 860 O LEU A 56 -11.574 4.909 -7.617 1.00 0.00 O ATOM 861 CB LEU A 56 -13.748 6.385 -5.563 1.00 0.00 C ATOM 862 CG LEU A 56 -14.516 5.226 -6.184 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.228 3.953 -5.426 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.995 5.528 -6.195 1.00 0.00 C ATOM 0 H LEU A 56 -12.479 8.454 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.730 5.711 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.877 6.347 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.194 7.319 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.191 5.091 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.781 3.129 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.160 3.739 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.535 4.071 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.534 4.692 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.343 5.680 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.178 6.430 -6.778 1.00 0.00 H new ATOM 876 N ASP A 57 -12.308 6.934 -8.221 1.00 0.00 N ATOM 877 CA ASP A 57 -12.131 6.693 -9.644 1.00 0.00 C ATOM 878 C ASP A 57 -10.692 6.283 -9.951 1.00 0.00 C ATOM 879 O ASP A 57 -10.436 5.592 -10.934 1.00 0.00 O ATOM 880 CB ASP A 57 -12.502 7.944 -10.440 1.00 0.00 C ATOM 881 CG ASP A 57 -13.122 7.612 -11.784 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.182 6.951 -11.801 1.00 0.00 O ATOM 883 OD2 ASP A 57 -12.549 8.014 -12.818 1.00 0.00 O ATOM 0 H ASP A 57 -12.676 7.858 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.790 5.876 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.201 8.547 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.610 8.551 -10.595 1.00 0.00 H new ATOM 888 N ARG A 58 -9.756 6.714 -9.106 1.00 0.00 N ATOM 889 CA ARG A 58 -8.345 6.388 -9.300 1.00 0.00 C ATOM 890 C ARG A 58 -8.058 4.925 -8.966 1.00 0.00 C ATOM 891 O ARG A 58 -7.493 4.196 -9.782 1.00 0.00 O ATOM 892 CB ARG A 58 -7.464 7.300 -8.441 1.00 0.00 C ATOM 893 CG ARG A 58 -6.528 8.181 -9.251 1.00 0.00 C ATOM 894 CD ARG A 58 -7.193 9.491 -9.641 1.00 0.00 C ATOM 895 NE ARG A 58 -7.249 10.430 -8.524 1.00 0.00 N ATOM 896 CZ ARG A 58 -7.577 11.714 -8.650 1.00 0.00 C ATOM 897 NH1 ARG A 58 -7.878 12.215 -9.842 1.00 0.00 N ATOM 898 NH2 ARG A 58 -7.604 12.500 -7.582 1.00 0.00 N ATOM 0 H ARG A 58 -9.949 7.287 -8.284 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.111 6.548 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.103 7.933 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.874 6.686 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.628 8.387 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.214 7.650 -10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.645 9.943 -10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.203 9.292 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.023 10.081 -7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.859 11.615 -10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.129 13.200 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.373 12.121 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.855 13.484 -7.679 1.00 0.00 H new ATOM 911 N MET A 59 -8.443 4.496 -7.765 1.00 0.00 N ATOM 912 CA MET A 59 -8.218 3.128 -7.336 1.00 0.00 C ATOM 913 C MET A 59 -8.826 2.126 -8.311 1.00 0.00 C ATOM 914 O MET A 59 -8.149 1.220 -8.792 1.00 0.00 O ATOM 915 CB MET A 59 -8.833 2.943 -5.950 1.00 0.00 C ATOM 916 CG MET A 59 -10.291 3.384 -5.869 1.00 0.00 C ATOM 917 SD MET A 59 -11.020 3.173 -4.237 1.00 0.00 S ATOM 918 CE MET A 59 -9.645 2.431 -3.399 1.00 0.00 C ATOM 0 H MET A 59 -8.913 5.082 -7.075 1.00 0.00 H new ATOM 0 HA MET A 59 -7.144 2.944 -7.305 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.763 1.893 -5.667 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.249 3.509 -5.224 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.361 4.433 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.874 2.816 -6.594 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.949 2.131 -2.396 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.310 1.555 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.829 3.151 -3.330 1.00 0.00 H new ATOM 928 N MET A 60 -10.108 2.295 -8.589 1.00 0.00 N ATOM 929 CA MET A 60 -10.830 1.406 -9.487 1.00 0.00 C ATOM 930 C MET A 60 -10.304 1.486 -10.921 1.00 0.00 C ATOM 931 O MET A 60 -10.486 0.555 -11.705 1.00 0.00 O ATOM 932 CB MET A 60 -12.322 1.734 -9.446 1.00 0.00 C ATOM 933 CG MET A 60 -13.102 0.861 -8.474 1.00 0.00 C ATOM 934 SD MET A 60 -12.973 1.412 -6.768 1.00 0.00 S ATOM 935 CE MET A 60 -11.639 0.369 -6.192 1.00 0.00 C ATOM 0 H MET A 60 -10.676 3.048 -8.201 1.00 0.00 H new ATOM 0 HA MET A 60 -10.671 0.383 -9.145 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.450 2.780 -9.167 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.741 1.617 -10.446 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.152 0.850 -8.767 1.00 0.00 H new ATOM 0 HG3 MET A 60 -12.740 -0.165 -8.546 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.409 0.612 -5.154 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.938 -0.677 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.755 0.536 -6.808 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.161 -10.655 -11.581 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.209 -10.637 -10.119 1.00 0.00 C ATOM 1085 C GLN A 70 -9.316 -9.529 -9.569 1.00 0.00 C ATOM 1086 O GLN A 70 -8.497 -8.964 -10.292 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.769 -11.987 -9.538 1.00 0.00 C ATOM 1088 CG GLN A 70 -10.919 -12.824 -8.999 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.503 -12.258 -7.721 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -11.079 -12.613 -6.621 1.00 0.00 O ATOM 1091 NE2 GLN A 70 -12.486 -11.376 -7.860 1.00 0.00 N ATOM 0 HA GLN A 70 -11.241 -10.448 -9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.250 -12.554 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.052 -11.811 -8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.702 -12.888 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.569 -13.840 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.805 -11.111 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.922 -10.964 -7.035 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.470 -9.236 -8.284 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.668 -8.214 -7.635 1.00 0.00 C ATOM 1102 C LEU A 71 -7.224 -8.716 -7.503 1.00 0.00 C ATOM 1103 O LEU A 71 -6.705 -9.323 -8.439 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.300 -7.860 -6.278 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.080 -6.537 -6.220 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.194 -5.423 -5.687 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.648 -6.165 -7.585 1.00 0.00 C ATOM 0 H LEU A 71 -10.145 -9.694 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.643 -7.301 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.973 -8.668 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.508 -7.825 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.920 -6.673 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.761 -4.493 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.853 -5.678 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.332 -5.298 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.194 -5.224 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.833 -6.054 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.324 -6.950 -7.924 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.571 -8.483 -6.365 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.193 -8.943 -6.184 1.00 0.00 C ATOM 1121 C ASP A 72 -4.585 -8.409 -4.891 1.00 0.00 C ATOM 1122 O ASP A 72 -5.224 -7.667 -4.145 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.319 -8.525 -7.372 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.585 -9.698 -7.991 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.381 -10.709 -7.286 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.215 -9.607 -9.180 1.00 0.00 O ATOM 0 H ASP A 72 -6.965 -7.987 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.225 -10.031 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.943 -8.050 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.595 -7.780 -7.042 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.337 -8.799 -4.642 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.620 -8.371 -3.446 1.00 0.00 C ATOM 1133 C PHE A 73 -2.384 -6.865 -3.450 1.00 0.00 C ATOM 1134 O PHE A 73 -2.815 -6.158 -2.534 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.291 -9.115 -3.329 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.358 -8.889 -4.485 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.482 -9.629 -5.650 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.646 -7.938 -4.405 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.376 -9.424 -6.714 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.507 -7.728 -5.466 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.372 -8.472 -6.621 1.00 0.00 C ATOM 0 H PHE A 73 -2.801 -9.413 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.238 -8.612 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.794 -8.807 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.491 -10.183 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.259 -10.375 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.757 -7.354 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.268 -10.007 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.285 -6.982 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.044 -8.310 -7.451 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.715 -6.361 -4.484 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.467 -4.936 -4.563 1.00 0.00 C ATOM 1153 C GLN A 74 -2.710 -4.218 -5.045 1.00 0.00 C ATOM 1154 O GLN A 74 -2.867 -3.028 -4.811 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.282 -4.599 -5.467 1.00 0.00 C ATOM 1156 CG GLN A 74 0.484 -3.364 -5.000 1.00 0.00 C ATOM 1157 CD GLN A 74 0.281 -2.156 -5.901 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.288 -1.078 -5.355 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.634 -2.189 -7.080 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.344 -6.909 -5.260 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.213 -4.597 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.397 -5.451 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.641 -4.436 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.169 -3.111 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.547 -3.600 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.065 -3.032 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.495 -1.374 -7.677 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.611 -4.951 -5.706 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.850 -4.357 -6.187 1.00 0.00 C ATOM 1170 C GLU A 75 -5.446 -3.494 -5.087 1.00 0.00 C ATOM 1171 O GLU A 75 -5.987 -2.421 -5.342 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.848 -5.448 -6.601 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.209 -5.474 -8.087 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.807 -4.222 -8.847 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -6.224 -3.119 -8.437 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -5.077 -4.347 -9.853 1.00 0.00 O ATOM 0 H GLU A 75 -3.503 -5.943 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.637 -3.743 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.434 -6.419 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.763 -5.318 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.730 -6.336 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.285 -5.616 -8.186 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.303 -3.964 -3.852 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.788 -3.229 -2.699 1.00 0.00 C ATOM 1185 C PHE A 76 -4.800 -2.139 -2.332 1.00 0.00 C ATOM 1186 O PHE A 76 -5.159 -0.970 -2.245 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.993 -4.150 -1.502 1.00 0.00 C ATOM 1188 CG PHE A 76 -6.982 -3.606 -0.512 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.692 -2.464 0.219 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.204 -4.226 -0.320 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.603 -1.954 1.125 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.118 -3.722 0.586 1.00 0.00 C ATOM 1193 CZ PHE A 76 -8.817 -2.586 1.309 1.00 0.00 C ATOM 0 H PHE A 76 -4.854 -4.852 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.749 -2.787 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.335 -5.124 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.037 -4.309 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.743 -1.967 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.446 -5.114 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.366 -1.063 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.067 -4.217 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.530 -2.192 2.018 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.542 -2.524 -2.130 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.509 -1.553 -1.789 1.00 0.00 C ATOM 1205 C LEU A 77 -2.525 -0.410 -2.799 1.00 0.00 C ATOM 1206 O LEU A 77 -2.291 0.746 -2.455 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.136 -2.226 -1.738 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.735 -2.740 -0.355 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.382 -3.769 -0.455 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.319 -1.582 0.532 1.00 0.00 C ATOM 0 H LEU A 77 -3.217 -3.489 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.714 -1.144 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.128 -3.061 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.384 -1.515 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.600 -3.231 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.647 -4.117 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.046 -4.614 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.255 -3.314 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.036 -1.960 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.530 -1.066 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.152 -0.887 0.637 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.842 -0.751 -4.043 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.943 0.230 -5.116 1.00 0.00 C ATOM 1224 C ASN A 78 -4.252 0.997 -4.973 1.00 0.00 C ATOM 1225 O ASN A 78 -4.275 2.227 -5.009 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.867 -0.466 -6.490 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.865 0.077 -7.498 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.888 1.275 -7.785 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -4.696 -0.805 -8.042 1.00 0.00 N ATOM 0 H ASN A 78 -3.035 -1.709 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.110 0.929 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.860 -0.353 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.040 -1.534 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.388 -0.499 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.642 -1.788 -7.775 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.343 0.251 -4.800 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.659 0.852 -4.639 1.00 0.00 C ATOM 1238 C LEU A 79 -6.667 1.763 -3.414 1.00 0.00 C ATOM 1239 O LEU A 79 -6.931 2.958 -3.523 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.729 -0.245 -4.488 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.493 -0.629 -5.769 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.532 -0.879 -6.917 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.346 -1.865 -5.532 1.00 0.00 C ATOM 0 H LEU A 79 -5.338 -0.768 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.888 1.445 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.249 -1.141 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.453 0.083 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.143 0.205 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.095 -1.149 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.954 0.025 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.856 -1.693 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.878 -2.121 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.707 -2.698 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.066 -1.664 -4.739 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.352 1.190 -2.253 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.311 1.943 -1.003 1.00 0.00 C ATOM 1257 C ILE A 80 -5.120 2.896 -0.953 1.00 0.00 C ATOM 1258 O ILE A 80 -5.273 4.065 -0.600 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.296 1.011 0.229 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.837 1.753 1.447 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.901 0.494 0.519 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.783 2.564 2.168 1.00 0.00 C ATOM 0 H ILE A 80 -6.121 0.202 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.225 2.536 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.932 0.154 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.643 2.415 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.269 1.032 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.929 -0.158 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.535 -0.066 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.235 1.334 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.233 3.067 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.988 1.903 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.368 3.308 1.488 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.935 2.406 -1.320 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.760 3.260 -1.314 1.00 0.00 C ATOM 1276 C GLY A 81 -3.017 4.519 -2.105 1.00 0.00 C ATOM 1277 O GLY A 81 -2.798 5.627 -1.616 1.00 0.00 O ATOM 0 H GLY A 81 -3.770 1.444 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.495 3.516 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.911 2.724 -1.739 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.517 4.345 -3.324 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.838 5.490 -4.157 1.00 0.00 C ATOM 1283 C GLY A 82 -4.728 6.481 -3.426 1.00 0.00 C ATOM 1284 O GLY A 82 -4.624 7.690 -3.635 1.00 0.00 O ATOM 0 H GLY A 82 -3.705 3.437 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.918 5.986 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.338 5.152 -5.065 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.595 5.969 -2.550 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.487 6.825 -1.773 1.00 0.00 C ATOM 1290 C LEU A 83 -5.683 7.707 -0.844 1.00 0.00 C ATOM 1291 O LEU A 83 -5.918 8.908 -0.755 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.466 5.996 -0.946 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.128 4.844 -1.687 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.227 4.229 -0.835 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.675 5.317 -3.025 1.00 0.00 C ATOM 0 H LEU A 83 -5.697 4.971 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.051 7.439 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.937 5.595 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.245 6.657 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.379 4.076 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.691 3.406 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.800 3.854 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.979 4.985 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.145 4.481 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.413 6.102 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.860 5.708 -3.634 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.728 7.103 -0.151 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.887 7.847 0.773 1.00 0.00 C ATOM 1309 C ALA A 84 -3.219 9.018 0.066 1.00 0.00 C ATOM 1310 O ALA A 84 -2.983 10.070 0.658 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.826 6.938 1.361 1.00 0.00 C ATOM 0 H ALA A 84 -4.518 6.107 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.518 8.232 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.202 7.506 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.305 6.118 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.207 6.536 0.559 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.922 8.815 -1.207 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.282 9.840 -2.020 1.00 0.00 C ATOM 1319 C VAL A 85 -3.305 10.792 -2.619 1.00 0.00 C ATOM 1320 O VAL A 85 -2.964 11.885 -3.071 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.409 9.247 -3.152 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.024 9.695 -2.974 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.474 7.724 -3.191 1.00 0.00 C ATOM 0 H VAL A 85 -3.115 7.945 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.628 10.390 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.802 9.615 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.638 9.277 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.072 10.783 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.396 9.348 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.846 7.354 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.119 7.320 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.504 7.408 -3.357 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.556 10.365 -2.632 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.630 11.165 -3.187 1.00 0.00 C ATOM 1335 C ALA A 86 -6.659 11.540 -2.126 1.00 0.00 C ATOM 1336 O ALA A 86 -7.753 12.004 -2.446 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.287 10.390 -4.304 1.00 0.00 C ATOM 0 H ALA A 86 -4.852 9.462 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.211 12.095 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.097 10.982 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.551 10.173 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.688 9.455 -3.912 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.308 11.328 -0.864 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.205 11.637 0.238 1.00 0.00 C ATOM 1345 C CYS A 87 -6.420 11.959 1.503 1.00 0.00 C ATOM 1346 O CYS A 87 -6.742 12.911 2.214 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.157 10.466 0.491 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.337 10.752 1.832 1.00 0.00 S ATOM 0 H CYS A 87 -5.407 10.943 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.790 12.515 -0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.708 10.255 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.570 9.577 0.721 1.00 0.00 H new ATOM 0 HG CYS A 87 -9.613 9.623 2.415 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.386 11.168 1.786 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.570 11.401 2.974 1.00 0.00 C ATOM 1356 C HIS A 88 -3.498 12.449 2.696 1.00 0.00 C ATOM 1357 O HIS A 88 -3.015 12.572 1.571 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.927 10.100 3.454 1.00 0.00 C ATOM 1359 CG HIS A 88 -3.820 10.004 4.945 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -4.463 9.033 5.685 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -3.141 10.764 5.836 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -4.183 9.201 6.965 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -3.382 10.244 7.084 1.00 0.00 N ATOM 0 H HIS A 88 -5.097 10.372 1.218 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.223 11.775 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.510 9.257 3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.931 10.014 3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.524 11.621 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.548 8.589 7.777 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.004 10.605 7.960 1.00 0.00 H new ATOM 1372 N GLU A 89 -3.135 13.207 3.728 1.00 0.00 N ATOM 1373 CA GLU A 89 -2.124 14.253 3.597 1.00 0.00 C ATOM 1374 C GLU A 89 -0.804 13.684 3.085 1.00 0.00 C ATOM 1375 O GLU A 89 0.083 13.346 3.868 1.00 0.00 O ATOM 1376 CB GLU A 89 -1.907 14.950 4.942 1.00 0.00 C ATOM 1377 CG GLU A 89 -2.569 16.315 5.033 1.00 0.00 C ATOM 1378 CD GLU A 89 -4.081 16.237 4.945 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -4.588 15.358 4.216 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -4.757 17.054 5.605 1.00 0.00 O ATOM 0 H GLU A 89 -3.527 13.116 4.665 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.485 14.980 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.294 14.314 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.837 15.062 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.287 16.789 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.194 16.951 4.231 1.00 0.00 H new ATOM 1387 N SER A 90 -0.683 13.585 1.765 1.00 0.00 N ATOM 1388 CA SER A 90 0.526 13.061 1.139 1.00 0.00 C ATOM 1389 C SER A 90 0.395 13.070 -0.380 1.00 0.00 C ATOM 1390 O SER A 90 -0.265 12.206 -0.958 1.00 0.00 O ATOM 1391 CB SER A 90 0.807 11.637 1.626 1.00 0.00 C ATOM 1392 OG SER A 90 -0.056 10.703 1.002 1.00 0.00 O ATOM 0 H SER A 90 -1.411 13.862 1.106 1.00 0.00 H new ATOM 0 HA SER A 90 1.359 13.705 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.844 11.376 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.680 11.588 2.707 1.00 0.00 H new ATOM 0 HG SER A 90 -0.105 10.894 0.042 1.00 0.00 H new ATOM 1398 N PHE A 91 1.026 14.055 -1.021 1.00 0.00 N ATOM 1399 CA PHE A 91 0.991 14.191 -2.482 1.00 0.00 C ATOM 1400 C PHE A 91 -0.274 14.903 -2.955 1.00 0.00 C ATOM 1401 O PHE A 91 -0.265 15.576 -3.986 1.00 0.00 O ATOM 1402 CB PHE A 91 1.093 12.821 -3.162 1.00 0.00 C ATOM 1403 CG PHE A 91 2.058 12.793 -4.312 1.00 0.00 C ATOM 1404 CD1 PHE A 91 3.425 12.758 -4.085 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.600 12.799 -5.619 1.00 0.00 C ATOM 1406 CE1 PHE A 91 4.316 12.731 -5.141 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.485 12.772 -6.679 1.00 0.00 C ATOM 1408 CZ PHE A 91 3.846 12.738 -6.440 1.00 0.00 C ATOM 0 H PHE A 91 1.572 14.776 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 91 1.852 14.797 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 91 1.399 12.080 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.106 12.527 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.798 12.752 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.538 12.825 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.379 12.704 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.114 12.777 -7.693 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.540 12.717 -7.267 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.366 14.748 -2.210 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.631 15.374 -2.573 1.00 0.00 C ATOM 1420 C VAL A 92 -2.460 16.872 -2.816 1.00 0.00 C ATOM 1421 O VAL A 92 -2.391 17.661 -1.872 1.00 0.00 O ATOM 1422 CB VAL A 92 -3.703 15.156 -1.485 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.023 15.792 -1.894 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -3.887 13.671 -1.203 1.00 0.00 C ATOM 0 H VAL A 92 -1.399 14.195 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.962 14.898 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.362 15.639 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.764 15.626 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.881 16.863 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.370 15.343 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.647 13.538 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.202 13.164 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.944 13.246 -0.859 1.00 0.00 H new ATOM 1638 N THR B 4 -10.285 3.569 13.235 1.00 0.00 N ATOM 1639 CA THR B 4 -10.524 2.294 12.567 1.00 0.00 C ATOM 1640 C THR B 4 -9.215 1.607 12.212 1.00 0.00 C ATOM 1641 O THR B 4 -8.226 2.250 11.864 1.00 0.00 O ATOM 1642 CB THR B 4 -11.386 2.489 11.312 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.218 1.407 10.412 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.087 3.765 10.552 1.00 0.00 C ATOM 0 HA THR B 4 -11.066 1.652 13.261 1.00 0.00 H new ATOM 0 HB THR B 4 -12.409 2.545 11.684 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.777 1.550 9.620 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.737 3.829 9.679 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.263 4.624 11.200 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.046 3.761 10.230 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.225 0.284 12.311 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.056 -0.529 12.010 1.00 0.00 C ATOM 1654 C GLU B 5 -7.389 -0.070 10.716 1.00 0.00 C ATOM 1655 O GLU B 5 -6.178 0.146 10.671 1.00 0.00 O ATOM 1656 CB GLU B 5 -8.479 -1.989 11.903 1.00 0.00 C ATOM 1657 CG GLU B 5 -7.518 -2.956 12.575 1.00 0.00 C ATOM 1658 CD GLU B 5 -6.671 -3.723 11.576 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -7.252 -4.375 10.683 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -5.429 -3.673 11.689 1.00 0.00 O ATOM 0 H GLU B 5 -10.042 -0.254 12.601 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.328 -0.417 12.814 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -9.467 -2.105 12.348 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -8.571 -2.255 10.850 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -6.865 -2.404 13.251 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.084 -3.661 13.184 1.00 0.00 H new ATOM 1667 N THR B 6 -8.193 0.092 9.672 1.00 0.00 N ATOM 1668 CA THR B 6 -7.690 0.546 8.384 1.00 0.00 C ATOM 1669 C THR B 6 -7.101 1.946 8.514 1.00 0.00 C ATOM 1670 O THR B 6 -6.059 2.249 7.942 1.00 0.00 O ATOM 1671 CB THR B 6 -8.816 0.547 7.348 1.00 0.00 C ATOM 1672 OG1 THR B 6 -9.765 -0.464 7.637 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.330 0.328 5.932 1.00 0.00 C ATOM 0 H THR B 6 -9.197 -0.085 9.694 1.00 0.00 H new ATOM 0 HA THR B 6 -6.908 -0.137 8.054 1.00 0.00 H new ATOM 0 HB THR B 6 -9.263 1.539 7.411 1.00 0.00 H new ATOM 0 HG1 THR B 6 -9.936 -0.992 6.830 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.180 0.340 5.250 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.634 1.121 5.659 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.825 -0.636 5.865 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.766 2.800 9.284 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.296 4.169 9.478 1.00 0.00 C ATOM 1683 C GLU B 7 -5.828 4.179 9.894 1.00 0.00 C ATOM 1684 O GLU B 7 -5.062 5.047 9.477 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.147 4.878 10.538 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.078 5.933 9.963 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.351 7.211 9.591 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.361 7.132 8.832 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.770 8.290 10.059 1.00 0.00 O ATOM 0 H GLU B 7 -8.627 2.572 9.782 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.393 4.702 8.532 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.739 4.136 11.073 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.487 5.346 11.268 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.575 5.532 9.080 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.857 6.161 10.691 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.440 3.199 10.697 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.060 3.086 11.148 1.00 0.00 C ATOM 1698 C ARG B 8 -3.188 2.454 10.063 1.00 0.00 C ATOM 1699 O ARG B 8 -1.980 2.688 10.011 1.00 0.00 O ATOM 1700 CB ARG B 8 -3.985 2.255 12.431 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.943 3.095 13.697 1.00 0.00 C ATOM 1702 CD ARG B 8 -3.573 2.256 14.909 1.00 0.00 C ATOM 1703 NE ARG B 8 -4.753 1.811 15.649 1.00 0.00 N ATOM 1704 CZ ARG B 8 -4.704 1.017 16.715 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -3.537 0.577 17.171 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.824 0.661 17.328 1.00 0.00 N ATOM 0 H ARG B 8 -6.061 2.471 11.050 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.686 4.089 11.355 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -4.848 1.590 12.474 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.097 1.624 12.394 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.219 3.901 13.576 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.915 3.561 13.858 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -2.998 1.388 14.587 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.929 2.837 15.569 1.00 0.00 H new ATOM 0 HE ARG B 8 -5.668 2.128 15.329 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -2.672 0.848 16.703 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -3.506 -0.032 17.989 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.723 0.996 16.982 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.787 0.052 18.145 1.00 0.00 H new ATOM 1719 N CYS B 9 -3.805 1.641 9.205 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.080 0.965 8.131 1.00 0.00 C ATOM 1721 C CYS B 9 -2.557 1.959 7.096 1.00 0.00 C ATOM 1722 O CYS B 9 -1.428 1.836 6.623 1.00 0.00 O ATOM 1723 CB CYS B 9 -3.973 -0.095 7.462 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.035 0.510 6.123 1.00 0.00 S ATOM 0 H CYS B 9 -4.804 1.435 9.233 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.218 0.466 8.574 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.335 -0.885 7.067 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.604 -0.548 8.227 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.854 1.405 6.590 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.385 2.934 6.742 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.004 3.934 5.758 1.00 0.00 C ATOM 1732 C ILE B 10 -1.954 4.890 6.308 1.00 0.00 C ATOM 1733 O ILE B 10 -0.901 5.078 5.706 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.222 4.755 5.293 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.337 3.835 4.811 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.821 5.713 4.185 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.459 3.662 5.801 1.00 0.00 C ATOM 0 H ILE B 10 -4.324 3.052 7.123 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.586 3.390 4.911 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.590 5.332 6.141 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.745 4.231 3.881 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.914 2.857 4.582 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.692 6.286 3.867 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.053 6.394 4.553 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.430 5.148 3.339 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.212 2.994 5.384 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.067 3.236 6.724 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.911 4.631 6.012 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.254 5.508 7.443 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.344 6.471 8.053 1.00 0.00 C ATOM 1751 C GLU B 11 0.061 5.906 8.218 1.00 0.00 C ATOM 1752 O GLU B 11 1.037 6.656 8.240 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.884 6.938 9.403 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.939 8.451 9.527 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.309 8.957 10.809 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -2.016 9.010 11.838 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -0.109 9.301 10.787 1.00 0.00 O ATOM 0 H GLU B 11 -3.120 5.360 7.961 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.279 7.324 7.378 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.884 6.530 9.549 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.256 6.536 10.198 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.429 8.900 8.675 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.978 8.777 9.484 1.00 0.00 H new ATOM 1764 N SER B 12 0.167 4.592 8.346 1.00 0.00 N ATOM 1765 CA SER B 12 1.467 3.960 8.520 1.00 0.00 C ATOM 1766 C SER B 12 2.254 3.905 7.207 1.00 0.00 C ATOM 1767 O SER B 12 3.380 4.390 7.139 1.00 0.00 O ATOM 1768 CB SER B 12 1.292 2.553 9.088 1.00 0.00 C ATOM 1769 OG SER B 12 0.492 2.570 10.258 1.00 0.00 O ATOM 0 H SER B 12 -0.623 3.947 8.333 1.00 0.00 H new ATOM 0 HA SER B 12 2.040 4.567 9.222 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.831 1.910 8.338 1.00 0.00 H new ATOM 0 HB3 SER B 12 2.268 2.126 9.318 1.00 0.00 H new ATOM 0 HG SER B 12 -0.412 2.872 10.032 1.00 0.00 H new ATOM 1775 N LEU B 13 1.663 3.311 6.172 1.00 0.00 N ATOM 1776 CA LEU B 13 2.325 3.191 4.877 1.00 0.00 C ATOM 1777 C LEU B 13 2.702 4.554 4.292 1.00 0.00 C ATOM 1778 O LEU B 13 3.659 4.671 3.527 1.00 0.00 O ATOM 1779 CB LEU B 13 1.443 2.409 3.914 1.00 0.00 C ATOM 1780 CG LEU B 13 1.674 0.897 3.938 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.133 0.577 3.662 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.258 0.300 5.273 1.00 0.00 C ATOM 0 H LEU B 13 0.728 2.906 6.206 1.00 0.00 H new ATOM 0 HA LEU B 13 3.257 2.647 5.028 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.398 2.609 4.152 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.615 2.775 2.902 1.00 0.00 H new ATOM 0 HG LEU B 13 1.058 0.454 3.155 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.279 -0.503 3.683 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.411 0.962 2.681 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.758 1.042 4.424 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.433 -0.776 5.261 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.843 0.754 6.073 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.199 0.493 5.444 1.00 0.00 H new ATOM 1794 N ILE B 14 1.964 5.586 4.658 1.00 0.00 N ATOM 1795 CA ILE B 14 2.248 6.925 4.189 1.00 0.00 C ATOM 1796 C ILE B 14 3.472 7.470 4.873 1.00 0.00 C ATOM 1797 O ILE B 14 4.272 8.180 4.279 1.00 0.00 O ATOM 1798 CB ILE B 14 1.112 7.878 4.535 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.233 7.297 4.159 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.325 9.212 3.874 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.325 7.837 5.034 1.00 0.00 C ATOM 0 H ILE B 14 1.160 5.519 5.282 1.00 0.00 H new ATOM 0 HA ILE B 14 2.386 6.858 3.110 1.00 0.00 H new ATOM 0 HB ILE B 14 1.114 8.023 5.615 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.452 7.528 3.116 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.199 6.211 4.245 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.504 9.881 4.132 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.266 9.642 4.218 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.360 9.081 2.793 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.278 7.400 4.738 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.117 7.584 6.074 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.374 8.921 4.927 1.00 0.00 H new ATOM 1813 N ALA B 15 3.563 7.148 6.145 1.00 0.00 N ATOM 1814 CA ALA B 15 4.630 7.613 6.996 1.00 0.00 C ATOM 1815 C ALA B 15 5.942 6.906 6.695 1.00 0.00 C ATOM 1816 O ALA B 15 7.005 7.523 6.715 1.00 0.00 O ATOM 1817 CB ALA B 15 4.187 7.424 8.430 1.00 0.00 C ATOM 0 H ALA B 15 2.889 6.548 6.621 1.00 0.00 H new ATOM 0 HA ALA B 15 4.827 8.669 6.811 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.974 7.767 9.102 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.280 8.001 8.609 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.988 6.368 8.613 1.00 0.00 H new ATOM 1823 N VAL B 16 5.864 5.621 6.381 1.00 0.00 N ATOM 1824 CA VAL B 16 7.047 4.857 6.041 1.00 0.00 C ATOM 1825 C VAL B 16 7.766 5.513 4.872 1.00 0.00 C ATOM 1826 O VAL B 16 8.994 5.504 4.787 1.00 0.00 O ATOM 1827 CB VAL B 16 6.669 3.423 5.638 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.872 2.748 6.728 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.867 3.434 4.356 1.00 0.00 C ATOM 0 H VAL B 16 4.994 5.090 6.356 1.00 0.00 H new ATOM 0 HA VAL B 16 7.696 4.829 6.916 1.00 0.00 H new ATOM 0 HB VAL B 16 7.591 2.863 5.483 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.617 1.735 6.418 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.465 2.710 7.642 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.958 3.312 6.912 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.606 2.412 4.082 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.956 4.015 4.502 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.460 3.883 3.560 1.00 0.00 H new ATOM 1839 N PHE B 17 6.971 6.060 3.958 1.00 0.00 N ATOM 1840 CA PHE B 17 7.509 6.705 2.761 1.00 0.00 C ATOM 1841 C PHE B 17 8.013 8.124 3.032 1.00 0.00 C ATOM 1842 O PHE B 17 9.185 8.417 2.807 1.00 0.00 O ATOM 1843 CB PHE B 17 6.432 6.732 1.666 1.00 0.00 C ATOM 1844 CG PHE B 17 6.608 7.829 0.651 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.761 7.906 -0.115 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.620 8.783 0.465 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.924 8.915 -1.045 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.778 9.793 -0.464 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.931 9.859 -1.220 1.00 0.00 C ATOM 0 H PHE B 17 5.953 6.071 4.021 1.00 0.00 H new ATOM 0 HA PHE B 17 8.368 6.120 2.433 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.431 5.772 1.150 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.455 6.842 2.136 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.540 7.170 0.017 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.716 8.736 1.054 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.827 8.965 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE B 17 5.000 10.530 -0.599 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.057 10.648 -1.947 1.00 0.00 H new ATOM 1859 N GLN B 18 7.123 9.004 3.491 1.00 0.00 N ATOM 1860 CA GLN B 18 7.490 10.399 3.756 1.00 0.00 C ATOM 1861 C GLN B 18 8.518 10.531 4.875 1.00 0.00 C ATOM 1862 O GLN B 18 9.418 11.365 4.792 1.00 0.00 O ATOM 1863 CB GLN B 18 6.259 11.235 4.095 1.00 0.00 C ATOM 1864 CG GLN B 18 5.277 10.529 5.003 1.00 0.00 C ATOM 1865 CD GLN B 18 3.869 11.058 4.851 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.394 11.105 3.614 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.216 11.417 5.831 1.00 0.00 N flip ATOM 0 H GLN B 18 6.147 8.779 3.687 1.00 0.00 H new ATOM 0 HA GLN B 18 7.943 10.774 2.838 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.580 12.161 4.571 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.752 11.511 3.170 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.287 9.461 4.784 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.596 10.645 6.039 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.625 11.362 6.764 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.266 11.769 5.710 1.00 0.00 H new ATOM 1876 N LYS B 19 8.382 9.727 5.926 1.00 0.00 N ATOM 1877 CA LYS B 19 9.314 9.796 7.050 1.00 0.00 C ATOM 1878 C LYS B 19 10.759 9.804 6.559 1.00 0.00 C ATOM 1879 O LYS B 19 11.548 10.673 6.932 1.00 0.00 O ATOM 1880 CB LYS B 19 9.095 8.620 8.004 1.00 0.00 C ATOM 1881 CG LYS B 19 9.980 8.664 9.239 1.00 0.00 C ATOM 1882 CD LYS B 19 9.413 9.596 10.298 1.00 0.00 C ATOM 1883 CE LYS B 19 8.042 9.137 10.768 1.00 0.00 C ATOM 1884 NZ LYS B 19 7.645 9.790 12.046 1.00 0.00 N ATOM 0 H LYS B 19 7.646 9.028 6.024 1.00 0.00 H new ATOM 0 HA LYS B 19 9.123 10.726 7.586 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.051 8.606 8.316 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.280 7.689 7.468 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.080 7.660 9.652 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.980 8.995 8.960 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.094 9.640 11.148 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.341 10.606 9.894 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.301 9.361 10.000 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.047 8.055 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.705 9.450 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.338 9.555 12.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.615 10.821 11.914 1.00 0.00 H new ATOM 1898 N TYR B 20 11.089 8.849 5.697 1.00 0.00 N ATOM 1899 CA TYR B 20 12.427 8.766 5.126 1.00 0.00 C ATOM 1900 C TYR B 20 12.557 9.777 4.001 1.00 0.00 C ATOM 1901 O TYR B 20 13.588 10.427 3.829 1.00 0.00 O ATOM 1902 CB TYR B 20 12.709 7.354 4.604 1.00 0.00 C ATOM 1903 CG TYR B 20 12.118 6.250 5.457 1.00 0.00 C ATOM 1904 CD1 TYR B 20 11.954 6.411 6.829 1.00 0.00 C ATOM 1905 CD2 TYR B 20 11.728 5.046 4.888 1.00 0.00 C ATOM 1906 CE1 TYR B 20 11.416 5.402 7.606 1.00 0.00 C ATOM 1907 CE2 TYR B 20 11.189 4.032 5.659 1.00 0.00 C ATOM 1908 CZ TYR B 20 11.035 4.216 7.017 1.00 0.00 C ATOM 1909 OH TYR B 20 10.499 3.210 7.787 1.00 0.00 O ATOM 0 H TYR B 20 10.448 8.122 5.379 1.00 0.00 H new ATOM 0 HA TYR B 20 13.158 8.990 5.903 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.315 7.267 3.592 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.788 7.211 4.539 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.252 7.339 7.295 1.00 0.00 H new ATOM 0 HD2 TYR B 20 11.847 4.898 3.825 1.00 0.00 H new ATOM 0 HE1 TYR B 20 11.295 5.543 8.670 1.00 0.00 H new ATOM 0 HE2 TYR B 20 10.890 3.101 5.200 1.00 0.00 H new ATOM 0 HH TYR B 20 10.283 2.442 7.218 1.00 0.00 H new ATOM 1919 N ALA B 21 11.481 9.881 3.236 1.00 0.00 N ATOM 1920 CA ALA B 21 11.403 10.782 2.099 1.00 0.00 C ATOM 1921 C ALA B 21 11.613 12.238 2.508 1.00 0.00 C ATOM 1922 O ALA B 21 11.925 13.086 1.671 1.00 0.00 O ATOM 1923 CB ALA B 21 10.054 10.600 1.426 1.00 0.00 C ATOM 0 H ALA B 21 10.631 9.338 3.389 1.00 0.00 H new ATOM 0 HA ALA B 21 12.204 10.537 1.401 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.981 11.271 0.570 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.952 9.569 1.089 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.259 10.830 2.136 1.00 0.00 H new ATOM 1929 N GLY B 22 11.441 12.527 3.794 1.00 0.00 N ATOM 1930 CA GLY B 22 11.617 13.883 4.276 1.00 0.00 C ATOM 1931 C GLY B 22 12.708 13.994 5.321 1.00 0.00 C ATOM 1932 O GLY B 22 13.427 14.991 5.370 1.00 0.00 O ATOM 0 H GLY B 22 11.183 11.847 4.509 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.856 14.535 3.436 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.677 14.239 4.698 1.00 0.00 H new ATOM 2006 N VAL B 28 9.056 15.771 -0.908 1.00 0.00 N ATOM 2007 CA VAL B 28 8.531 15.072 -2.074 1.00 0.00 C ATOM 2008 C VAL B 28 9.439 13.917 -2.480 1.00 0.00 C ATOM 2009 O VAL B 28 10.661 14.060 -2.513 1.00 0.00 O ATOM 2010 CB VAL B 28 8.360 16.025 -3.272 1.00 0.00 C ATOM 2011 CG1 VAL B 28 7.669 15.316 -4.427 1.00 0.00 C ATOM 2012 CG2 VAL B 28 7.586 17.269 -2.861 1.00 0.00 C ATOM 0 HA VAL B 28 7.554 14.678 -1.792 1.00 0.00 H new ATOM 0 HB VAL B 28 9.350 16.335 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL B 28 7.558 16.006 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.268 14.461 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.685 14.972 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.476 17.930 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.600 16.980 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL B 28 8.127 17.790 -2.071 1.00 0.00 H new ATOM 2022 N THR B 29 8.825 12.776 -2.782 1.00 0.00 N ATOM 2023 CA THR B 29 9.556 11.576 -3.187 1.00 0.00 C ATOM 2024 C THR B 29 10.584 11.171 -2.138 1.00 0.00 C ATOM 2025 O THR B 29 11.062 11.998 -1.362 1.00 0.00 O ATOM 2026 CB THR B 29 10.237 11.772 -4.543 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.808 13.062 -4.653 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.296 11.585 -5.714 1.00 0.00 C ATOM 0 H THR B 29 7.812 12.656 -2.754 1.00 0.00 H new ATOM 0 HA THR B 29 8.826 10.772 -3.280 1.00 0.00 H new ATOM 0 HB THR B 29 11.009 11.004 -4.584 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.258 13.293 -3.814 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.840 11.737 -6.646 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.886 10.575 -5.694 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.483 12.308 -5.646 1.00 0.00 H new ATOM 2036 N LEU B 30 10.915 9.887 -2.122 1.00 0.00 N ATOM 2037 CA LEU B 30 11.882 9.356 -1.172 1.00 0.00 C ATOM 2038 C LEU B 30 13.239 9.145 -1.857 1.00 0.00 C ATOM 2039 O LEU B 30 13.748 10.052 -2.511 1.00 0.00 O ATOM 2040 CB LEU B 30 11.345 8.050 -0.564 1.00 0.00 C ATOM 2041 CG LEU B 30 11.753 7.777 0.889 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.520 6.317 1.241 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.206 8.159 1.134 1.00 0.00 C ATOM 0 H LEU B 30 10.526 9.192 -2.759 1.00 0.00 H new ATOM 0 HA LEU B 30 12.031 10.071 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.257 8.065 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.684 7.217 -1.180 1.00 0.00 H new ATOM 0 HG LEU B 30 11.130 8.396 1.535 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.815 6.141 2.275 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.464 6.077 1.119 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.114 5.684 0.582 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.466 7.954 2.173 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.851 7.576 0.477 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.343 9.221 0.928 1.00 0.00 H new ATOM 2055 N SER B 31 13.818 7.953 -1.719 1.00 0.00 N ATOM 2056 CA SER B 31 15.100 7.649 -2.342 1.00 0.00 C ATOM 2057 C SER B 31 15.416 6.167 -2.187 1.00 0.00 C ATOM 2058 O SER B 31 15.434 5.640 -1.074 1.00 0.00 O ATOM 2059 CB SER B 31 16.218 8.501 -1.733 1.00 0.00 C ATOM 2060 OG SER B 31 15.707 9.431 -0.793 1.00 0.00 O ATOM 0 H SER B 31 13.418 7.184 -1.181 1.00 0.00 H new ATOM 0 HA SER B 31 15.034 7.887 -3.404 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.947 7.853 -1.246 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.744 9.034 -2.525 1.00 0.00 H new ATOM 0 HG SER B 31 16.444 9.959 -0.421 1.00 0.00 H new ATOM 2066 N LYS B 32 15.649 5.492 -3.309 1.00 0.00 N ATOM 2067 CA LYS B 32 15.946 4.063 -3.293 1.00 0.00 C ATOM 2068 C LYS B 32 17.043 3.741 -2.280 1.00 0.00 C ATOM 2069 O LYS B 32 17.006 2.703 -1.622 1.00 0.00 O ATOM 2070 CB LYS B 32 16.357 3.584 -4.689 1.00 0.00 C ATOM 2071 CG LYS B 32 17.699 4.125 -5.158 1.00 0.00 C ATOM 2072 CD LYS B 32 17.595 5.578 -5.593 1.00 0.00 C ATOM 2073 CE LYS B 32 18.732 5.966 -6.524 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.916 4.975 -7.620 1.00 0.00 N ATOM 0 H LYS B 32 15.638 5.911 -4.239 1.00 0.00 H new ATOM 0 HA LYS B 32 15.040 3.536 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.395 2.495 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.588 3.878 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS B 32 18.429 4.037 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.065 3.521 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.641 5.741 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.607 6.223 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.531 6.948 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.656 6.051 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.303 5.453 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 19.575 4.233 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.999 4.546 -7.858 1.00 0.00 H new ATOM 2088 N THR B 33 18.012 4.642 -2.156 1.00 0.00 N ATOM 2089 CA THR B 33 19.109 4.459 -1.222 1.00 0.00 C ATOM 2090 C THR B 33 18.639 4.694 0.213 1.00 0.00 C ATOM 2091 O THR B 33 19.000 3.954 1.121 1.00 0.00 O ATOM 2092 CB THR B 33 20.259 5.404 -1.573 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.147 4.792 -2.493 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.069 5.835 -0.373 1.00 0.00 C ATOM 0 H THR B 33 18.057 5.508 -2.694 1.00 0.00 H new ATOM 0 HA THR B 33 19.465 3.432 -1.298 1.00 0.00 H new ATOM 0 HB THR B 33 19.785 6.285 -2.005 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.875 5.412 -2.707 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.868 6.504 -0.694 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.423 6.355 0.334 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.502 4.958 0.108 1.00 0.00 H new ATOM 2102 N GLU B 34 17.828 5.726 0.414 1.00 0.00 N ATOM 2103 CA GLU B 34 17.317 6.030 1.744 1.00 0.00 C ATOM 2104 C GLU B 34 16.508 4.852 2.271 1.00 0.00 C ATOM 2105 O GLU B 34 16.434 4.621 3.477 1.00 0.00 O ATOM 2106 CB GLU B 34 16.467 7.300 1.717 1.00 0.00 C ATOM 2107 CG GLU B 34 17.071 8.439 2.520 1.00 0.00 C ATOM 2108 CD GLU B 34 16.030 9.424 3.012 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.393 10.086 2.166 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.852 9.534 4.243 1.00 0.00 O ATOM 0 H GLU B 34 17.513 6.361 -0.320 1.00 0.00 H new ATOM 0 HA GLU B 34 18.160 6.203 2.413 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.337 7.621 0.683 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.475 7.074 2.108 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.610 8.030 3.374 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.801 8.965 1.904 1.00 0.00 H new ATOM 2117 N PHE B 35 15.917 4.103 1.347 1.00 0.00 N ATOM 2118 CA PHE B 35 15.124 2.933 1.697 1.00 0.00 C ATOM 2119 C PHE B 35 16.039 1.807 2.172 1.00 0.00 C ATOM 2120 O PHE B 35 15.662 1.000 3.020 1.00 0.00 O ATOM 2121 CB PHE B 35 14.304 2.472 0.487 1.00 0.00 C ATOM 2122 CG PHE B 35 12.959 1.891 0.835 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.767 1.189 2.014 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.886 2.042 -0.029 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.532 0.651 2.325 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.649 1.508 0.277 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.473 0.811 1.455 1.00 0.00 C ATOM 0 H PHE B 35 15.973 4.287 0.345 1.00 0.00 H new ATOM 0 HA PHE B 35 14.440 3.197 2.504 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.158 3.320 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.878 1.726 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.592 1.060 2.699 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.018 2.584 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE B 35 11.396 0.106 3.248 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.821 1.636 -0.405 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.507 0.391 1.696 1.00 0.00 H new ATOM 2137 N LEU B 36 17.247 1.763 1.619 1.00 0.00 N ATOM 2138 CA LEU B 36 18.226 0.741 1.979 1.00 0.00 C ATOM 2139 C LEU B 36 18.402 0.646 3.478 1.00 0.00 C ATOM 2140 O LEU B 36 18.211 -0.408 4.084 1.00 0.00 O ATOM 2141 CB LEU B 36 19.583 1.086 1.374 1.00 0.00 C ATOM 2142 CG LEU B 36 19.898 0.382 0.076 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.962 -1.117 0.308 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.856 0.737 -0.969 1.00 0.00 C ATOM 0 H LEU B 36 17.573 2.426 0.916 1.00 0.00 H new ATOM 0 HA LEU B 36 17.856 -0.210 1.596 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.627 2.162 1.207 1.00 0.00 H new ATOM 0 HB3 LEU B 36 20.360 0.844 2.099 1.00 0.00 H new ATOM 0 HG LEU B 36 20.870 0.709 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU B 36 20.190 -1.621 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.741 -1.339 1.037 1.00 0.00 H new ATOM 0 HD13 LEU B 36 19.001 -1.468 0.685 1.00 0.00 H new ATOM 0 HD21 LEU B 36 19.089 0.226 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.871 0.426 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.859 1.814 -1.134 1.00 0.00 H new ATOM 2156 N SER B 37 18.803 1.760 4.054 1.00 0.00 N ATOM 2157 CA SER B 37 19.053 1.828 5.480 1.00 0.00 C ATOM 2158 C SER B 37 17.785 1.559 6.284 1.00 0.00 C ATOM 2159 O SER B 37 17.758 0.677 7.142 1.00 0.00 O ATOM 2160 CB SER B 37 19.634 3.195 5.854 1.00 0.00 C ATOM 2161 OG SER B 37 20.996 3.083 6.232 1.00 0.00 O ATOM 0 H SER B 37 18.964 2.635 3.555 1.00 0.00 H new ATOM 0 HA SER B 37 19.777 1.052 5.727 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.543 3.876 5.008 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.060 3.626 6.674 1.00 0.00 H new ATOM 0 HG SER B 37 21.345 3.969 6.465 1.00 0.00 H new ATOM 2167 N PHE B 38 16.736 2.330 6.006 1.00 0.00 N ATOM 2168 CA PHE B 38 15.467 2.178 6.710 1.00 0.00 C ATOM 2169 C PHE B 38 14.919 0.763 6.557 1.00 0.00 C ATOM 2170 O PHE B 38 14.320 0.215 7.482 1.00 0.00 O ATOM 2171 CB PHE B 38 14.450 3.197 6.191 1.00 0.00 C ATOM 2172 CG PHE B 38 14.559 4.540 6.853 1.00 0.00 C ATOM 2173 CD1 PHE B 38 14.264 4.689 8.199 1.00 0.00 C ATOM 2174 CD2 PHE B 38 14.960 5.653 6.131 1.00 0.00 C ATOM 2175 CE1 PHE B 38 14.365 5.923 8.812 1.00 0.00 C ATOM 2176 CE2 PHE B 38 15.063 6.890 6.739 1.00 0.00 C ATOM 2177 CZ PHE B 38 14.765 7.025 8.081 1.00 0.00 C ATOM 0 H PHE B 38 16.741 3.065 5.299 1.00 0.00 H new ATOM 0 HA PHE B 38 15.644 2.359 7.770 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.585 3.318 5.116 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.444 2.806 6.344 1.00 0.00 H new ATOM 0 HD1 PHE B 38 13.952 3.831 8.775 1.00 0.00 H new ATOM 0 HD2 PHE B 38 15.195 5.553 5.082 1.00 0.00 H new ATOM 0 HE1 PHE B 38 14.132 6.026 9.861 1.00 0.00 H new ATOM 0 HE2 PHE B 38 15.376 7.750 6.166 1.00 0.00 H new ATOM 0 HZ PHE B 38 14.845 7.991 8.558 1.00 0.00 H new ATOM 2187 N MET B 39 15.135 0.172 5.386 1.00 0.00 N ATOM 2188 CA MET B 39 14.670 -1.183 5.116 1.00 0.00 C ATOM 2189 C MET B 39 15.514 -2.201 5.879 1.00 0.00 C ATOM 2190 O MET B 39 15.040 -3.283 6.218 1.00 0.00 O ATOM 2191 CB MET B 39 14.726 -1.473 3.614 1.00 0.00 C ATOM 2192 CG MET B 39 14.382 -2.911 3.254 1.00 0.00 C ATOM 2193 SD MET B 39 12.952 -3.033 2.162 1.00 0.00 S ATOM 2194 CE MET B 39 11.643 -2.503 3.262 1.00 0.00 C ATOM 0 H MET B 39 15.629 0.611 4.609 1.00 0.00 H new ATOM 0 HA MET B 39 13.637 -1.266 5.453 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.037 -0.804 3.098 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.727 -1.245 3.246 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.242 -3.376 2.773 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.185 -3.473 4.167 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.839 -2.052 2.680 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.257 -3.363 3.809 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.035 -1.770 3.967 1.00 0.00 H new ATOM 2204 N ASN B 40 16.762 -1.842 6.150 1.00 0.00 N ATOM 2205 CA ASN B 40 17.668 -2.717 6.881 1.00 0.00 C ATOM 2206 C ASN B 40 17.297 -2.763 8.360 1.00 0.00 C ATOM 2207 O ASN B 40 17.695 -3.674 9.083 1.00 0.00 O ATOM 2208 CB ASN B 40 19.113 -2.243 6.718 1.00 0.00 C ATOM 2209 CG ASN B 40 19.768 -2.805 5.472 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.254 -1.921 4.608 1.00 0.00 O flip ATOM 2211 ND2 ASN B 40 19.838 -4.020 5.288 1.00 0.00 N flip ATOM 0 H ASN B 40 17.170 -0.949 5.874 1.00 0.00 H new ATOM 0 HA ASN B 40 17.577 -3.722 6.469 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.133 -1.154 6.676 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.691 -2.539 7.594 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.451 -4.663 5.978 1.00 0.00 H new ATOM 0 HD22 ASN B 40 20.283 -4.383 4.445 1.00 0.00 H new ATOM 2218 N THR B 41 16.548 -1.758 8.803 1.00 0.00 N ATOM 2219 CA THR B 41 16.135 -1.664 10.196 1.00 0.00 C ATOM 2220 C THR B 41 14.635 -1.904 10.357 1.00 0.00 C ATOM 2221 O THR B 41 14.205 -2.997 10.722 1.00 0.00 O ATOM 2222 CB THR B 41 16.510 -0.289 10.754 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.516 0.693 9.729 1.00 0.00 O ATOM 2224 CG2 THR B 41 17.871 -0.267 11.401 1.00 0.00 C ATOM 0 H THR B 41 16.214 -0.995 8.214 1.00 0.00 H new ATOM 0 HA THR B 41 16.656 -2.441 10.755 1.00 0.00 H new ATOM 0 HB THR B 41 15.752 -0.069 11.506 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.757 1.563 10.111 1.00 0.00 H new ATOM 0 HG21 THR B 41 18.079 0.735 11.777 1.00 0.00 H new ATOM 0 HG22 THR B 41 17.892 -0.977 12.228 1.00 0.00 H new ATOM 0 HG23 THR B 41 18.628 -0.543 10.667 1.00 0.00 H new ATOM 2232 N GLU B 42 13.848 -0.865 10.095 1.00 0.00 N ATOM 2233 CA GLU B 42 12.392 -0.941 10.219 1.00 0.00 C ATOM 2234 C GLU B 42 11.829 -2.192 9.548 1.00 0.00 C ATOM 2235 O GLU B 42 10.809 -2.730 9.977 1.00 0.00 O ATOM 2236 CB GLU B 42 11.748 0.307 9.612 1.00 0.00 C ATOM 2237 CG GLU B 42 12.319 1.609 10.151 1.00 0.00 C ATOM 2238 CD GLU B 42 11.327 2.369 11.010 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.555 1.718 11.745 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.324 3.617 10.949 1.00 0.00 O ATOM 0 H GLU B 42 14.195 0.046 9.794 1.00 0.00 H new ATOM 0 HA GLU B 42 12.155 -0.997 11.281 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.878 0.283 8.530 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.675 0.283 9.805 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.212 1.394 10.737 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.629 2.239 9.317 1.00 0.00 H new ATOM 2247 N LEU B 43 12.497 -2.650 8.495 1.00 0.00 N ATOM 2248 CA LEU B 43 12.057 -3.836 7.771 1.00 0.00 C ATOM 2249 C LEU B 43 13.227 -4.773 7.506 1.00 0.00 C ATOM 2250 O LEU B 43 13.460 -5.195 6.373 1.00 0.00 O ATOM 2251 CB LEU B 43 11.390 -3.432 6.454 1.00 0.00 C ATOM 2252 CG LEU B 43 9.950 -2.934 6.591 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.397 -2.508 5.241 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.072 -4.009 7.216 1.00 0.00 C ATOM 0 H LEU B 43 13.344 -2.219 8.125 1.00 0.00 H new ATOM 0 HA LEU B 43 11.330 -4.365 8.387 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.987 -2.650 5.985 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.401 -4.288 5.780 1.00 0.00 H new ATOM 0 HG LEU B 43 9.949 -2.064 7.248 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.372 -2.157 5.362 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.010 -1.704 4.834 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.412 -3.357 4.557 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.051 -3.638 7.306 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.081 -4.898 6.585 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.455 -4.262 8.205 1.00 0.00 H new ATOM 2266 N ALA B 44 13.964 -5.093 8.565 1.00 0.00 N ATOM 2267 CA ALA B 44 15.114 -5.979 8.456 1.00 0.00 C ATOM 2268 C ALA B 44 14.672 -7.433 8.384 1.00 0.00 C ATOM 2269 O ALA B 44 15.211 -8.220 7.605 1.00 0.00 O ATOM 2270 CB ALA B 44 16.052 -5.766 9.633 1.00 0.00 C ATOM 0 H ALA B 44 13.784 -4.751 9.509 1.00 0.00 H new ATOM 0 HA ALA B 44 15.646 -5.741 7.535 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.909 -6.434 9.541 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.397 -4.732 9.641 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.524 -5.979 10.562 1.00 0.00 H new ATOM 2276 N ALA B 45 13.685 -7.782 9.201 1.00 0.00 N ATOM 2277 CA ALA B 45 13.161 -9.142 9.236 1.00 0.00 C ATOM 2278 C ALA B 45 12.747 -9.610 7.843 1.00 0.00 C ATOM 2279 O ALA B 45 12.751 -10.806 7.553 1.00 0.00 O ATOM 2280 CB ALA B 45 11.984 -9.217 10.197 1.00 0.00 C ATOM 0 H ALA B 45 13.230 -7.140 9.850 1.00 0.00 H new ATOM 0 HA ALA B 45 13.950 -9.807 9.587 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.597 -10.236 10.219 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.312 -8.932 11.197 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.199 -8.537 9.865 1.00 0.00 H new ATOM 2286 N PHE B 46 12.391 -8.659 6.985 1.00 0.00 N ATOM 2287 CA PHE B 46 11.975 -8.975 5.624 1.00 0.00 C ATOM 2288 C PHE B 46 13.188 -9.159 4.715 1.00 0.00 C ATOM 2289 O PHE B 46 13.214 -10.054 3.871 1.00 0.00 O ATOM 2290 CB PHE B 46 11.074 -7.868 5.074 1.00 0.00 C ATOM 2291 CG PHE B 46 9.713 -7.829 5.709 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.577 -7.646 7.076 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.570 -7.975 4.939 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.328 -7.611 7.664 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.318 -7.940 5.521 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.195 -7.758 6.884 1.00 0.00 C ATOM 0 H PHE B 46 12.382 -7.664 7.208 1.00 0.00 H new ATOM 0 HA PHE B 46 11.415 -9.910 5.648 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.563 -6.905 5.223 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.960 -8.004 3.999 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.459 -7.529 7.689 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.659 -8.118 3.872 1.00 0.00 H new ATOM 0 HE1 PHE B 46 8.236 -7.469 8.731 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.435 -8.055 4.910 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.216 -7.730 7.340 1.00 0.00 H new ATOM 2306 N THR B 47 14.191 -8.305 4.895 1.00 0.00 N ATOM 2307 CA THR B 47 15.407 -8.374 4.094 1.00 0.00 C ATOM 2308 C THR B 47 16.431 -9.310 4.740 1.00 0.00 C ATOM 2309 O THR B 47 16.501 -10.490 4.397 1.00 0.00 O ATOM 2310 CB THR B 47 15.995 -6.971 3.905 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.531 -6.477 5.118 1.00 0.00 O ATOM 2312 CG2 THR B 47 14.977 -5.962 3.418 1.00 0.00 C ATOM 0 H THR B 47 14.185 -7.557 5.589 1.00 0.00 H new ATOM 0 HA THR B 47 15.155 -8.779 3.114 1.00 0.00 H new ATOM 0 HB THR B 47 16.772 -7.086 3.149 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.901 -5.582 4.971 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.455 -4.989 3.304 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.576 -6.284 2.457 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.166 -5.885 4.142 1.00 0.00 H new ATOM 2428 N VAL B 55 12.575 -10.948 -3.023 1.00 0.00 N ATOM 2429 CA VAL B 55 11.793 -10.023 -2.205 1.00 0.00 C ATOM 2430 C VAL B 55 12.243 -8.579 -2.412 1.00 0.00 C ATOM 2431 O VAL B 55 11.466 -7.737 -2.863 1.00 0.00 O ATOM 2432 CB VAL B 55 11.893 -10.372 -0.706 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.963 -9.492 0.112 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.581 -11.844 -0.480 1.00 0.00 C ATOM 0 HA VAL B 55 10.756 -10.124 -2.526 1.00 0.00 H new ATOM 0 HB VAL B 55 12.915 -10.184 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL B 55 11.048 -9.754 1.167 1.00 0.00 H new ATOM 0 HG12 VAL B 55 11.237 -8.446 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.935 -9.644 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.656 -12.073 0.583 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.570 -12.059 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.293 -12.456 -1.034 1.00 0.00 H new ATOM 2444 N LEU B 56 13.501 -8.301 -2.087 1.00 0.00 N ATOM 2445 CA LEU B 56 14.055 -6.966 -2.243 1.00 0.00 C ATOM 2446 C LEU B 56 14.189 -6.613 -3.719 1.00 0.00 C ATOM 2447 O LEU B 56 13.848 -5.516 -4.151 1.00 0.00 O ATOM 2448 CB LEU B 56 15.420 -6.916 -1.564 1.00 0.00 C ATOM 2449 CG LEU B 56 16.325 -5.775 -2.006 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.859 -4.480 -1.388 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.759 -6.071 -1.630 1.00 0.00 C ATOM 0 H LEU B 56 14.156 -8.987 -1.713 1.00 0.00 H new ATOM 0 HA LEU B 56 13.387 -6.240 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU B 56 15.269 -6.842 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.935 -7.859 -1.750 1.00 0.00 H new ATOM 0 HG LEU B 56 16.274 -5.675 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.512 -3.668 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.837 -4.272 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.891 -4.563 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.397 -5.248 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.835 -6.188 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU B 56 18.081 -6.991 -2.118 1.00 0.00 H new ATOM 2463 N ASP B 57 14.703 -7.556 -4.482 1.00 0.00 N ATOM 2464 CA ASP B 57 14.895 -7.362 -5.911 1.00 0.00 C ATOM 2465 C ASP B 57 13.584 -6.967 -6.587 1.00 0.00 C ATOM 2466 O ASP B 57 13.589 -6.310 -7.625 1.00 0.00 O ATOM 2467 CB ASP B 57 15.452 -8.636 -6.546 1.00 0.00 C ATOM 2468 CG ASP B 57 16.396 -8.345 -7.696 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.427 -7.681 -7.463 1.00 0.00 O ATOM 2470 OD2 ASP B 57 16.104 -8.783 -8.829 1.00 0.00 O ATOM 0 H ASP B 57 14.998 -8.470 -4.137 1.00 0.00 H new ATOM 0 HA ASP B 57 15.611 -6.552 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP B 57 15.976 -9.217 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.626 -9.251 -6.904 1.00 0.00 H new ATOM 2475 N ARG B 58 12.462 -7.375 -5.995 1.00 0.00 N ATOM 2476 CA ARG B 58 11.149 -7.062 -6.554 1.00 0.00 C ATOM 2477 C ARG B 58 10.793 -5.590 -6.350 1.00 0.00 C ATOM 2478 O ARG B 58 10.457 -4.891 -7.306 1.00 0.00 O ATOM 2479 CB ARG B 58 10.074 -7.950 -5.918 1.00 0.00 C ATOM 2480 CG ARG B 58 9.372 -8.860 -6.912 1.00 0.00 C ATOM 2481 CD ARG B 58 10.109 -10.179 -7.077 1.00 0.00 C ATOM 2482 NE ARG B 58 9.874 -11.082 -5.952 1.00 0.00 N ATOM 2483 CZ ARG B 58 10.218 -12.368 -5.949 1.00 0.00 C ATOM 2484 NH1 ARG B 58 10.811 -12.906 -7.008 1.00 0.00 N ATOM 2485 NH2 ARG B 58 9.968 -13.119 -4.885 1.00 0.00 N ATOM 0 H ARG B 58 12.436 -7.920 -5.133 1.00 0.00 H new ATOM 0 HA ARG B 58 11.190 -7.257 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.532 -8.560 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.332 -7.317 -5.431 1.00 0.00 H new ATOM 0 HG2 ARG B 58 8.353 -9.051 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.300 -8.359 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG B 58 9.789 -10.660 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG B 58 11.178 -9.988 -7.171 1.00 0.00 H new ATOM 0 HE ARG B 58 9.420 -10.705 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG B 58 11.005 -12.333 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG B 58 11.072 -13.892 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG B 58 9.512 -12.711 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG B 58 10.232 -14.104 -4.883 1.00 0.00 H new ATOM 2498 N MET B 59 10.860 -5.121 -5.104 1.00 0.00 N ATOM 2499 CA MET B 59 10.538 -3.742 -4.791 1.00 0.00 C ATOM 2500 C MET B 59 11.379 -2.769 -5.611 1.00 0.00 C ATOM 2501 O MET B 59 10.851 -1.881 -6.277 1.00 0.00 O ATOM 2502 CB MET B 59 10.781 -3.509 -3.303 1.00 0.00 C ATOM 2503 CG MET B 59 12.169 -3.941 -2.837 1.00 0.00 C ATOM 2504 SD MET B 59 12.459 -3.675 -1.081 1.00 0.00 S ATOM 2505 CE MET B 59 10.918 -2.913 -0.647 1.00 0.00 C ATOM 0 H MET B 59 11.136 -5.683 -4.298 1.00 0.00 H new ATOM 0 HA MET B 59 9.492 -3.562 -5.040 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.646 -2.450 -3.082 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.029 -4.052 -2.731 1.00 0.00 H new ATOM 0 HG2 MET B 59 12.305 -4.999 -3.062 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.920 -3.394 -3.407 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.975 -2.532 0.373 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.714 -2.090 -1.331 1.00 0.00 H new ATOM 0 HE3 MET B 59 10.117 -3.649 -0.715 1.00 0.00 H new ATOM 2515 N MET B 60 12.688 -2.941 -5.547 1.00 0.00 N ATOM 2516 CA MET B 60 13.619 -2.079 -6.260 1.00 0.00 C ATOM 2517 C MET B 60 13.477 -2.207 -7.776 1.00 0.00 C ATOM 2518 O MET B 60 13.856 -1.301 -8.518 1.00 0.00 O ATOM 2519 CB MET B 60 15.051 -2.398 -5.829 1.00 0.00 C ATOM 2520 CG MET B 60 15.561 -1.492 -4.720 1.00 0.00 C ATOM 2521 SD MET B 60 15.000 -1.989 -3.087 1.00 0.00 S ATOM 2522 CE MET B 60 13.567 -0.932 -2.903 1.00 0.00 C ATOM 0 H MET B 60 13.135 -3.678 -5.002 1.00 0.00 H new ATOM 0 HA MET B 60 13.381 -1.047 -6.003 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.100 -3.434 -5.494 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.711 -2.311 -6.692 1.00 0.00 H new ATOM 0 HG2 MET B 60 16.651 -1.486 -4.737 1.00 0.00 H new ATOM 0 HG3 MET B 60 15.234 -0.471 -4.914 1.00 0.00 H new ATOM 0 HE1 MET B 60 13.121 -1.091 -1.921 1.00 0.00 H new ATOM 0 HE2 MET B 60 13.869 0.111 -2.999 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.837 -1.171 -3.676 1.00 0.00 H new ATOM 2670 N GLN B 70 13.558 9.905 -8.843 1.00 0.00 N ATOM 2671 CA GLN B 70 13.231 9.934 -7.417 1.00 0.00 C ATOM 2672 C GLN B 70 12.223 8.843 -7.077 1.00 0.00 C ATOM 2673 O GLN B 70 11.611 8.250 -7.967 1.00 0.00 O ATOM 2674 CB GLN B 70 12.662 11.301 -7.011 1.00 0.00 C ATOM 2675 CG GLN B 70 13.641 12.160 -6.224 1.00 0.00 C ATOM 2676 CD GLN B 70 13.878 11.639 -4.822 1.00 0.00 C ATOM 2677 OE1 GLN B 70 13.188 12.026 -3.879 1.00 0.00 O ATOM 2678 NE2 GLN B 70 14.860 10.756 -4.677 1.00 0.00 N ATOM 0 HA GLN B 70 14.152 9.758 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.359 11.840 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN B 70 11.764 11.148 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.591 12.202 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.260 13.180 -6.169 1.00 0.00 H new ATOM 0 HE21 GLN B 70 15.407 10.464 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.067 10.371 -3.756 1.00 0.00 H new ATOM 2687 N LEU B 71 12.042 8.591 -5.786 1.00 0.00 N ATOM 2688 CA LEU B 71 11.097 7.587 -5.332 1.00 0.00 C ATOM 2689 C LEU B 71 9.670 8.087 -5.589 1.00 0.00 C ATOM 2690 O LEU B 71 9.409 8.661 -6.645 1.00 0.00 O ATOM 2691 CB LEU B 71 11.362 7.279 -3.847 1.00 0.00 C ATOM 2692 CG LEU B 71 12.095 5.963 -3.551 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.098 4.864 -3.224 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.991 5.548 -4.712 1.00 0.00 C ATOM 0 H LEU B 71 12.540 9.071 -5.036 1.00 0.00 H new ATOM 0 HA LEU B 71 11.219 6.655 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.944 8.098 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.406 7.265 -3.324 1.00 0.00 H new ATOM 0 HG LEU B 71 12.735 6.125 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.633 3.937 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.515 5.150 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.430 4.715 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.494 4.612 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.385 5.411 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.735 6.324 -4.892 1.00 0.00 H new ATOM 2706 N ASP B 72 8.747 7.887 -4.647 1.00 0.00 N ATOM 2707 CA ASP B 72 7.370 8.349 -4.837 1.00 0.00 C ATOM 2708 C ASP B 72 6.450 7.854 -3.727 1.00 0.00 C ATOM 2709 O ASP B 72 6.874 7.138 -2.820 1.00 0.00 O ATOM 2710 CB ASP B 72 6.827 7.889 -6.196 1.00 0.00 C ATOM 2711 CG ASP B 72 6.280 9.038 -7.019 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.907 10.070 -6.422 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.224 8.906 -8.259 1.00 0.00 O ATOM 0 H ASP B 72 8.922 7.417 -3.759 1.00 0.00 H new ATOM 0 HA ASP B 72 7.390 9.438 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.622 7.393 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.040 7.151 -6.039 1.00 0.00 H new ATOM 2718 N PHE B 73 5.182 8.245 -3.815 1.00 0.00 N ATOM 2719 CA PHE B 73 4.183 7.854 -2.831 1.00 0.00 C ATOM 2720 C PHE B 73 3.949 6.347 -2.846 1.00 0.00 C ATOM 2721 O PHE B 73 4.129 5.672 -1.828 1.00 0.00 O ATOM 2722 CB PHE B 73 2.869 8.595 -3.079 1.00 0.00 C ATOM 2723 CG PHE B 73 2.262 8.329 -4.427 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.682 9.032 -5.546 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.266 7.376 -4.575 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.123 8.787 -6.785 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.703 7.129 -5.813 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.132 7.835 -6.919 1.00 0.00 C ATOM 0 H PHE B 73 4.822 8.836 -4.564 1.00 0.00 H new ATOM 0 HA PHE B 73 4.562 8.127 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.153 8.312 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.043 9.666 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.455 9.780 -5.448 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.926 6.820 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.461 9.340 -7.649 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.072 6.384 -5.915 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.693 7.643 -7.887 1.00 0.00 H new ATOM 2738 N GLN B 74 3.563 5.807 -3.999 1.00 0.00 N ATOM 2739 CA GLN B 74 3.337 4.379 -4.092 1.00 0.00 C ATOM 2740 C GLN B 74 4.659 3.652 -4.219 1.00 0.00 C ATOM 2741 O GLN B 74 4.746 2.469 -3.914 1.00 0.00 O ATOM 2742 CB GLN B 74 2.419 4.008 -5.257 1.00 0.00 C ATOM 2743 CG GLN B 74 1.556 2.786 -4.961 1.00 0.00 C ATOM 2744 CD GLN B 74 1.976 1.551 -5.743 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.383 0.492 -5.034 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.937 1.544 -6.973 1.00 0.00 N flip ATOM 0 H GLN B 74 3.405 6.328 -4.861 1.00 0.00 H new ATOM 0 HA GLN B 74 2.834 4.071 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.774 4.855 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN B 74 3.024 3.815 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.603 2.566 -3.894 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.517 3.019 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.620 2.372 -7.478 1.00 0.00 H new ATOM 0 HE22 GLN B 74 2.221 0.710 -7.488 1.00 0.00 H new ATOM 2755 N GLU B 75 5.702 4.366 -4.651 1.00 0.00 N ATOM 2756 CA GLU B 75 7.021 3.764 -4.781 1.00 0.00 C ATOM 2757 C GLU B 75 7.312 2.938 -3.537 1.00 0.00 C ATOM 2758 O GLU B 75 7.897 1.860 -3.612 1.00 0.00 O ATOM 2759 CB GLU B 75 8.095 4.844 -4.962 1.00 0.00 C ATOM 2760 CG GLU B 75 8.823 4.825 -6.307 1.00 0.00 C ATOM 2761 CD GLU B 75 8.624 3.547 -7.104 1.00 0.00 C ATOM 2762 OE1 GLU B 75 8.917 2.459 -6.566 1.00 0.00 O ATOM 2763 OE2 GLU B 75 8.175 3.636 -8.266 1.00 0.00 O ATOM 0 H GLU B 75 5.655 5.351 -4.913 1.00 0.00 H new ATOM 0 HA GLU B 75 7.037 3.122 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.629 5.821 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.833 4.736 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.481 5.670 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU B 75 9.889 4.969 -6.133 1.00 0.00 H new ATOM 2770 N PHE B 76 6.861 3.448 -2.395 1.00 0.00 N ATOM 2771 CA PHE B 76 7.034 2.752 -1.135 1.00 0.00 C ATOM 2772 C PHE B 76 5.980 1.670 -0.997 1.00 0.00 C ATOM 2773 O PHE B 76 6.301 0.506 -0.784 1.00 0.00 O ATOM 2774 CB PHE B 76 6.930 3.712 0.045 1.00 0.00 C ATOM 2775 CG PHE B 76 7.632 3.203 1.271 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.160 2.085 1.940 1.00 0.00 C ATOM 2777 CD2 PHE B 76 8.767 3.835 1.749 1.00 0.00 C ATOM 2778 CE1 PHE B 76 7.808 1.608 3.064 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.417 3.364 2.873 1.00 0.00 C ATOM 2780 CZ PHE B 76 8.938 2.250 3.531 1.00 0.00 C ATOM 0 H PHE B 76 6.374 4.341 -2.321 1.00 0.00 H new ATOM 0 HA PHE B 76 8.028 2.305 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.354 4.676 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.879 3.882 0.278 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.276 1.581 1.579 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.149 4.706 1.237 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.431 0.735 3.576 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.300 3.868 3.237 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.446 1.881 4.410 1.00 0.00 H new ATOM 2790 N LEU B 77 4.714 2.056 -1.135 1.00 0.00 N ATOM 2791 CA LEU B 77 3.624 1.092 -1.038 1.00 0.00 C ATOM 2792 C LEU B 77 3.891 -0.083 -1.973 1.00 0.00 C ATOM 2793 O LEU B 77 3.572 -1.228 -1.663 1.00 0.00 O ATOM 2794 CB LEU B 77 2.286 1.760 -1.360 1.00 0.00 C ATOM 2795 CG LEU B 77 1.547 2.318 -0.142 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.498 3.337 -0.557 1.00 0.00 C ATOM 2797 CD2 LEU B 77 0.915 1.188 0.646 1.00 0.00 C ATOM 0 H LEU B 77 4.421 3.017 -1.312 1.00 0.00 H new ATOM 0 HA LEU B 77 3.569 0.716 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.460 2.571 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.643 1.035 -1.859 1.00 0.00 H new ATOM 0 HG LEU B 77 2.270 2.828 0.494 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.011 3.716 0.329 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.980 4.163 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.228 2.863 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.392 1.596 1.511 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.207 0.654 0.012 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.691 0.501 0.983 1.00 0.00 H new ATOM 2809 N ASN B 78 4.517 0.219 -3.105 1.00 0.00 N ATOM 2810 CA ASN B 78 4.883 -0.795 -4.085 1.00 0.00 C ATOM 2811 C ASN B 78 6.110 -1.552 -3.588 1.00 0.00 C ATOM 2812 O ASN B 78 6.135 -2.782 -3.577 1.00 0.00 O ATOM 2813 CB ASN B 78 5.164 -0.145 -5.454 1.00 0.00 C ATOM 2814 CG ASN B 78 6.383 -0.716 -6.157 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.474 -1.922 -6.389 1.00 0.00 O ATOM 2816 ND2 ASN B 78 7.328 0.153 -6.499 1.00 0.00 N ATOM 0 H ASN B 78 4.783 1.168 -3.368 1.00 0.00 H new ATOM 0 HA ASN B 78 4.056 -1.494 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.291 -0.274 -6.094 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.303 0.927 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN B 78 8.171 -0.171 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.211 1.144 -6.287 1.00 0.00 H new ATOM 2823 N LEU B 79 7.125 -0.796 -3.166 1.00 0.00 N ATOM 2824 CA LEU B 79 8.353 -1.387 -2.656 1.00 0.00 C ATOM 2825 C LEU B 79 8.044 -2.258 -1.441 1.00 0.00 C ATOM 2826 O LEU B 79 8.323 -3.454 -1.441 1.00 0.00 O ATOM 2827 CB LEU B 79 9.354 -0.280 -2.273 1.00 0.00 C ATOM 2828 CG LEU B 79 10.420 0.066 -3.329 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.784 0.274 -4.691 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.191 1.311 -2.922 1.00 0.00 C ATOM 0 H LEU B 79 7.117 0.224 -3.169 1.00 0.00 H new ATOM 0 HA LEU B 79 8.798 -2.008 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.792 0.626 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.863 -0.580 -1.357 1.00 0.00 H new ATOM 0 HG LEU B 79 11.113 -0.773 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.557 0.517 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.271 -0.638 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.066 1.093 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.940 1.540 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.502 2.151 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.685 1.137 -1.966 1.00 0.00 H new ATOM 2842 N ILE B 80 7.445 -1.648 -0.418 1.00 0.00 N ATOM 2843 CA ILE B 80 7.085 -2.360 0.803 1.00 0.00 C ATOM 2844 C ILE B 80 5.916 -3.317 0.579 1.00 0.00 C ATOM 2845 O ILE B 80 5.970 -4.474 0.997 1.00 0.00 O ATOM 2846 CB ILE B 80 6.761 -1.390 1.961 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.970 -2.090 3.299 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.339 -0.869 1.869 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.763 -2.881 3.754 1.00 0.00 C ATOM 0 H ILE B 80 7.199 -0.658 -0.414 1.00 0.00 H new ATOM 0 HA ILE B 80 7.959 -2.947 1.084 1.00 0.00 H new ATOM 0 HB ILE B 80 7.437 -0.538 1.884 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.827 -2.760 3.221 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.215 -1.346 4.057 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.146 -0.190 2.699 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.207 -0.337 0.927 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.641 -1.705 1.915 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.978 -3.354 4.712 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.909 -2.212 3.863 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.531 -3.648 3.015 1.00 0.00 H new ATOM 2861 N GLY B 81 4.867 -2.844 -0.093 1.00 0.00 N ATOM 2862 CA GLY B 81 3.726 -3.701 -0.360 1.00 0.00 C ATOM 2863 C GLY B 81 4.170 -4.985 -1.018 1.00 0.00 C ATOM 2864 O GLY B 81 3.829 -6.078 -0.565 1.00 0.00 O ATOM 0 H GLY B 81 4.788 -1.893 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.206 -3.924 0.571 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.017 -3.182 -1.005 1.00 0.00 H new ATOM 2868 N GLY B 82 4.965 -4.848 -2.074 1.00 0.00 N ATOM 2869 CA GLY B 82 5.482 -6.018 -2.760 1.00 0.00 C ATOM 2870 C GLY B 82 6.154 -6.981 -1.795 1.00 0.00 C ATOM 2871 O GLY B 82 6.102 -8.197 -1.986 1.00 0.00 O ATOM 0 H GLY B 82 5.259 -3.953 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.668 -6.528 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.197 -5.707 -3.522 1.00 0.00 H new ATOM 2875 N LEU B 83 6.771 -6.437 -0.744 1.00 0.00 N ATOM 2876 CA LEU B 83 7.432 -7.263 0.262 1.00 0.00 C ATOM 2877 C LEU B 83 6.414 -8.119 0.984 1.00 0.00 C ATOM 2878 O LEU B 83 6.612 -9.316 1.168 1.00 0.00 O ATOM 2879 CB LEU B 83 8.170 -6.405 1.285 1.00 0.00 C ATOM 2880 CG LEU B 83 9.005 -5.275 0.701 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.853 -4.628 1.784 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.872 -5.789 -0.439 1.00 0.00 C ATOM 0 H LEU B 83 6.825 -5.433 -0.570 1.00 0.00 H new ATOM 0 HA LEU B 83 8.154 -7.896 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.439 -5.978 1.972 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.822 -7.050 1.874 1.00 0.00 H new ATOM 0 HG LEU B 83 8.334 -4.516 0.299 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.444 -3.822 1.350 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.204 -4.224 2.561 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.519 -5.373 2.218 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.463 -4.968 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.539 -6.567 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.236 -6.201 -1.223 1.00 0.00 H new ATOM 2894 N ALA B 84 5.316 -7.497 1.390 1.00 0.00 N ATOM 2895 CA ALA B 84 4.263 -8.215 2.093 1.00 0.00 C ATOM 2896 C ALA B 84 3.793 -9.410 1.277 1.00 0.00 C ATOM 2897 O ALA B 84 3.411 -10.445 1.823 1.00 0.00 O ATOM 2898 CB ALA B 84 3.093 -7.292 2.360 1.00 0.00 C ATOM 0 H ALA B 84 5.132 -6.504 1.246 1.00 0.00 H new ATOM 0 HA ALA B 84 4.666 -8.572 3.041 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.311 -7.839 2.886 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.424 -6.453 2.972 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.701 -6.919 1.414 1.00 0.00 H new ATOM 2904 N VAL B 85 3.831 -9.249 -0.036 1.00 0.00 N ATOM 2905 CA VAL B 85 3.417 -10.304 -0.952 1.00 0.00 C ATOM 2906 C VAL B 85 4.554 -11.270 -1.239 1.00 0.00 C ATOM 2907 O VAL B 85 4.335 -12.378 -1.728 1.00 0.00 O ATOM 2908 CB VAL B 85 2.863 -9.750 -2.287 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.430 -10.198 -2.467 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.942 -8.230 -2.358 1.00 0.00 C ATOM 0 H VAL B 85 4.146 -8.394 -0.495 1.00 0.00 H new ATOM 0 HA VAL B 85 2.611 -10.837 -0.447 1.00 0.00 H new ATOM 0 HB VAL B 85 3.484 -10.146 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.042 -9.807 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.388 -11.287 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.825 -9.823 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.542 -7.889 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.359 -7.797 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.982 -7.915 -2.267 1.00 0.00 H new ATOM 2920 N ALA B 86 5.769 -10.837 -0.947 1.00 0.00 N ATOM 2921 CA ALA B 86 6.945 -11.652 -1.183 1.00 0.00 C ATOM 2922 C ALA B 86 7.668 -11.987 0.117 1.00 0.00 C ATOM 2923 O ALA B 86 8.806 -12.457 0.101 1.00 0.00 O ATOM 2924 CB ALA B 86 7.867 -10.910 -2.119 1.00 0.00 C ATOM 0 H ALA B 86 5.965 -9.921 -0.544 1.00 0.00 H new ATOM 0 HA ALA B 86 6.634 -12.596 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.757 -11.511 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.353 -10.720 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.158 -9.962 -1.667 1.00 0.00 H new ATOM 2930 N CYS B 87 7.007 -11.737 1.240 1.00 0.00 N ATOM 2931 CA CYS B 87 7.593 -12.006 2.544 1.00 0.00 C ATOM 2932 C CYS B 87 6.510 -12.290 3.577 1.00 0.00 C ATOM 2933 O CYS B 87 6.636 -13.218 4.376 1.00 0.00 O ATOM 2934 CB CYS B 87 8.454 -10.823 2.994 1.00 0.00 C ATOM 2935 SG CYS B 87 9.253 -11.060 4.598 1.00 0.00 S ATOM 0 H CYS B 87 6.065 -11.348 1.273 1.00 0.00 H new ATOM 0 HA CYS B 87 8.225 -12.890 2.457 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.221 -10.639 2.242 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.831 -9.930 3.039 1.00 0.00 H new ATOM 0 HG CYS B 87 9.345 -9.917 5.210 1.00 0.00 H new ATOM 2941 N HIS B 88 5.440 -11.495 3.561 1.00 0.00 N ATOM 2942 CA HIS B 88 4.349 -11.693 4.508 1.00 0.00 C ATOM 2943 C HIS B 88 3.378 -12.753 4.000 1.00 0.00 C ATOM 2944 O HIS B 88 3.198 -12.915 2.793 1.00 0.00 O ATOM 2945 CB HIS B 88 3.609 -10.380 4.767 1.00 0.00 C ATOM 2946 CG HIS B 88 3.128 -10.236 6.177 1.00 0.00 C ATOM 2947 ND1 HIS B 88 3.564 -9.240 7.024 1.00 0.00 N ATOM 2948 CD2 HIS B 88 2.239 -10.970 6.889 1.00 0.00 C ATOM 2949 CE1 HIS B 88 2.966 -9.367 8.196 1.00 0.00 C ATOM 2950 NE2 HIS B 88 2.157 -10.409 8.139 1.00 0.00 N ATOM 0 H HIS B 88 5.308 -10.719 2.912 1.00 0.00 H new ATOM 0 HA HIS B 88 4.780 -12.039 5.448 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.270 -9.546 4.530 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.756 -10.313 4.092 1.00 0.00 H new ATOM 0 HD2 HIS B 88 1.696 -11.835 6.538 1.00 0.00 H new ATOM 0 HE1 HIS B 88 3.114 -8.728 9.054 1.00 0.00 H new ATOM 0 HE2 HIS B 88 1.567 -10.743 8.901 1.00 0.00 H new ATOM 2959 N GLU B 89 2.761 -13.479 4.929 1.00 0.00 N ATOM 2960 CA GLU B 89 1.813 -14.533 4.578 1.00 0.00 C ATOM 2961 C GLU B 89 0.669 -13.987 3.729 1.00 0.00 C ATOM 2962 O GLU B 89 -0.387 -13.628 4.249 1.00 0.00 O ATOM 2963 CB GLU B 89 1.257 -15.188 5.846 1.00 0.00 C ATOM 2964 CG GLU B 89 1.868 -16.547 6.146 1.00 0.00 C ATOM 2965 CD GLU B 89 3.353 -16.464 6.444 1.00 0.00 C ATOM 2966 OE1 GLU B 89 4.034 -15.610 5.840 1.00 0.00 O ATOM 2967 OE2 GLU B 89 3.834 -17.256 7.282 1.00 0.00 O ATOM 0 H GLU B 89 2.901 -13.356 5.932 1.00 0.00 H new ATOM 0 HA GLU B 89 2.345 -15.281 3.991 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.431 -14.525 6.694 1.00 0.00 H new ATOM 0 HB3 GLU B 89 0.177 -15.299 5.744 1.00 0.00 H new ATOM 0 HG2 GLU B 89 1.354 -16.993 6.998 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.708 -17.209 5.295 1.00 0.00 H new ATOM 2974 N SER B 90 0.890 -13.930 2.419 1.00 0.00 N ATOM 2975 CA SER B 90 -0.118 -13.432 1.489 1.00 0.00 C ATOM 2976 C SER B 90 0.395 -13.489 0.054 1.00 0.00 C ATOM 2977 O SER B 90 1.184 -12.642 -0.364 1.00 0.00 O ATOM 2978 CB SER B 90 -0.509 -11.995 1.843 1.00 0.00 C ATOM 2979 OG SER B 90 0.489 -11.078 1.429 1.00 0.00 O ATOM 0 H SER B 90 1.761 -14.224 1.977 1.00 0.00 H new ATOM 0 HA SER B 90 -0.998 -14.070 1.571 1.00 0.00 H new ATOM 0 HB2 SER B 90 -1.457 -11.745 1.367 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.661 -11.911 2.919 1.00 0.00 H new ATOM 0 HG SER B 90 1.252 -11.570 1.060 1.00 0.00 H new ATOM 2985 N PHE B 91 -0.055 -14.498 -0.694 1.00 0.00 N ATOM 2986 CA PHE B 91 0.350 -14.680 -2.093 1.00 0.00 C ATOM 2987 C PHE B 91 1.691 -15.403 -2.205 1.00 0.00 C ATOM 2988 O PHE B 91 1.941 -16.108 -3.182 1.00 0.00 O ATOM 2989 CB PHE B 91 0.431 -13.334 -2.819 1.00 0.00 C ATOM 2990 CG PHE B 91 -0.210 -13.346 -4.177 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -1.588 -13.310 -4.308 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.568 -13.392 -5.324 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -2.181 -13.322 -5.557 1.00 0.00 C ATOM 2994 CE2 PHE B 91 -0.019 -13.403 -6.576 1.00 0.00 C ATOM 2995 CZ PHE B 91 -1.396 -13.367 -6.691 1.00 0.00 C ATOM 0 H PHE B 91 -0.704 -15.207 -0.353 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.413 -15.298 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE B 91 -0.048 -12.570 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE B 91 1.478 -13.049 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -2.207 -13.272 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE B 91 1.644 -13.420 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -3.257 -13.296 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.597 -13.440 -7.462 1.00 0.00 H new ATOM 0 HZ PHE B 91 -1.857 -13.374 -7.668 1.00 0.00 H new ATOM 3005 N VAL B 92 2.557 -15.219 -1.210 1.00 0.00 N ATOM 3006 CA VAL B 92 3.871 -15.851 -1.218 1.00 0.00 C ATOM 3007 C VAL B 92 3.761 -17.356 -1.448 1.00 0.00 C ATOM 3008 O VAL B 92 3.451 -18.115 -0.530 1.00 0.00 O ATOM 3009 CB VAL B 92 4.631 -15.593 0.099 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.010 -16.237 0.060 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.743 -14.101 0.370 1.00 0.00 C ATOM 0 H VAL B 92 2.372 -14.639 -0.392 1.00 0.00 H new ATOM 0 HA VAL B 92 4.429 -15.404 -2.041 1.00 0.00 H new ATOM 0 HB VAL B 92 4.066 -16.047 0.913 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.529 -16.043 0.999 1.00 0.00 H new ATOM 0 HG12 VAL B 92 5.905 -17.313 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL B 92 6.584 -15.817 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.282 -13.940 1.303 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.282 -13.622 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.745 -13.670 0.449 1.00 0.00 H new