USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 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: A 106 ASN : amide:sc= 0.152 K(o=0.15,f=-1.6!) USER MOD Set 1.2: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 127 LYS NZ :NH3+ 161:sc= -0.053 (180deg=-0.53) USER MOD Set 2.2: A 128 ASN : amide:sc= -0.0044 X(o=-0.057,f=-0.057) USER MOD Set 3.1: A 109 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.8!) USER MOD Set 3.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 29 TYR OH : rot 180:sc= -0.36 USER MOD Set 4.2: A 31 SER OG : rot -1:sc= 2.03 USER MOD Set 4.3: A 108 TYR OH : rot 8:sc= 0.985 USER MOD Set 5.1: A 90 SER OG : rot 180:sc= 0.192 USER MOD Set 5.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 94 ASN : amide:sc= 0.149 K(o=0.34,f=-5.1!) USER MOD Set 6.1: A 81 MET CE :methyl -170:sc= -0.065 (180deg=0) USER MOD Set 6.2: A 113 SER OG : rot 96:sc= 0.544 USER MOD Set 6.3: A 115 LYS NZ :NH3+ 142:sc= -0.125 (180deg=-0.649) USER MOD Set 6.4: A 116 HIS : no HE2:sc= -0.16 K(o=0.19,f=-0.99) USER MOD Set 7.1: A 75 THR OG1 : rot 144:sc= 0.566 USER MOD Set 7.2: A 77 GLN : amide:sc= 0.466 X(o=1,f=0.62) USER MOD Single : A 30 CYS SG : rot -76:sc= 0.143 USER MOD Single : A 32 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8!) USER MOD Single : A 35 HIS : no HD1:sc= -3.75! C(o=-3.8!,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 52 SER OG : rot -17:sc= 0.696 USER MOD Single : A 54 GLN : amide:sc= 0.0661 K(o=0.066,f=-1.5!) USER MOD Single : A 55 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-6.5!) USER MOD Single : A 57 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD Single : A 59 GLN : amide:sc= -0.92 K(o=-0.92,f=-0.27) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0671 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0947) USER MOD Single : A 72 SER OG : rot 4:sc= 0.183 USER MOD Single : A 73 THR OG1 : rot 10:sc= 0.884 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 88 TYR OH : rot -154:sc= 1.14 USER MOD Single : A 91 GLN : amide:sc= -2.24! K(o=-2.2!,f=0) USER MOD Single : A 97 CYS SG : rot 44:sc= -2.12! USER MOD Single : A 107 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-2.9!) USER MOD Single : A 110 THR OG1 : rot -56:sc= -0.0745 USER MOD Single : A 114 LYS NZ :NH3+ 163:sc= 0.177 (180deg=0.113) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 161:sc= -1.85 (180deg=-2.62!) USER MOD Single : A 130 SER OG : rot 58:sc= 0.338 USER MOD Single : A 131 CYS SG : rot -170:sc= -0.185 USER MOD Single : A 132 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.052) USER MOD Single : A 137 THR OG1 : rot 145:sc= 1.46 USER MOD Single : A 138 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.21) USER MOD Single : A 141 GLN : amide:sc= -0.0632 X(o=-0.063,f=-0.11) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 1.052 -6.887 10.330 1.00 0.00 N ATOM 12 CA ALA A 26 1.813 -6.609 9.117 1.00 0.00 C ATOM 13 C ALA A 26 2.667 -5.345 9.193 1.00 0.00 C ATOM 14 O ALA A 26 2.313 -4.344 9.821 1.00 0.00 O ATOM 15 CB ALA A 26 0.859 -6.553 7.922 1.00 0.00 C ATOM 0 HA ALA A 26 2.524 -7.426 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.425 -6.345 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.347 -7.510 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.124 -5.764 8.080 1.00 0.00 H new ATOM 16 N LEU A 27 3.824 -5.511 8.571 1.00 0.00 N ATOM 17 CA LEU A 27 4.822 -4.461 8.325 1.00 0.00 C ATOM 18 C LEU A 27 5.266 -4.513 6.857 1.00 0.00 C ATOM 19 O LEU A 27 5.442 -5.584 6.271 1.00 0.00 O ATOM 20 CB LEU A 27 5.952 -4.738 9.326 1.00 0.00 C ATOM 21 CG LEU A 27 7.097 -3.737 9.186 1.00 0.00 C ATOM 22 CD1 LEU A 27 6.992 -2.666 10.270 1.00 0.00 C ATOM 23 CD2 LEU A 27 8.429 -4.454 9.373 1.00 0.00 C ATOM 0 H LEU A 27 4.113 -6.418 8.205 1.00 0.00 H new ATOM 0 HA LEU A 27 4.445 -3.449 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.556 -4.697 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.332 -5.748 9.173 1.00 0.00 H new ATOM 0 HG LEU A 27 7.038 -3.283 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.813 -1.957 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.043 -2.140 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.046 -3.136 11.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.245 -3.738 9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.463 -4.906 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.533 -5.231 8.616 1.00 0.00 H new ATOM 24 N LEU A 28 5.339 -3.341 6.222 1.00 0.00 N ATOM 25 CA LEU A 28 5.559 -3.296 4.773 1.00 0.00 C ATOM 26 C LEU A 28 6.801 -2.505 4.367 1.00 0.00 C ATOM 27 O LEU A 28 6.888 -1.301 4.602 1.00 0.00 O ATOM 28 CB LEU A 28 4.320 -2.688 4.121 1.00 0.00 C ATOM 29 CG LEU A 28 4.141 -3.091 2.645 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.790 -4.566 2.484 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.954 -2.312 2.089 1.00 0.00 C ATOM 0 H LEU A 28 5.252 -2.431 6.674 1.00 0.00 H new ATOM 0 HA LEU A 28 5.730 -4.317 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.437 -2.994 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.380 -1.602 4.188 1.00 0.00 H new ATOM 0 HG LEU A 28 5.080 -2.886 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.675 -4.799 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.588 -5.178 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.857 -4.777 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.803 -2.577 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.058 -2.558 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.152 -1.243 2.167 1.00 0.00 H new ATOM 32 N TYR A 29 7.713 -3.263 3.779 1.00 0.00 N ATOM 33 CA TYR A 29 8.901 -2.747 3.091 1.00 0.00 C ATOM 34 C TYR A 29 8.598 -2.760 1.583 1.00 0.00 C ATOM 35 O TYR A 29 7.723 -3.481 1.112 1.00 0.00 O ATOM 36 CB TYR A 29 10.056 -3.669 3.476 1.00 0.00 C ATOM 37 CG TYR A 29 11.358 -3.453 2.702 1.00 0.00 C ATOM 38 CD1 TYR A 29 12.029 -2.209 2.689 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.724 -4.507 1.847 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.060 -1.999 1.757 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.752 -4.305 0.918 1.00 0.00 C ATOM 42 CZ TYR A 29 13.389 -3.051 0.876 1.00 0.00 C ATOM 43 OH TYR A 29 14.271 -2.854 -0.138 1.00 0.00 O ATOM 0 H TYR A 29 7.652 -4.281 3.763 1.00 0.00 H new ATOM 0 HA TYR A 29 9.167 -1.726 3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.260 -3.542 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.736 -4.701 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.753 -1.431 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.219 -5.460 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.587 -1.057 1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.050 -5.097 0.247 1.00 0.00 H new ATOM 0 HH TYR A 29 14.379 -3.686 -0.644 1.00 0.00 H new ATOM 44 N CYS A 30 9.147 -1.774 0.910 1.00 0.00 N ATOM 45 CA CYS A 30 8.866 -1.475 -0.511 1.00 0.00 C ATOM 46 C CYS A 30 10.198 -1.276 -1.199 1.00 0.00 C ATOM 47 O CYS A 30 10.739 -0.173 -1.215 1.00 0.00 O ATOM 48 CB CYS A 30 8.017 -0.197 -0.514 1.00 0.00 C ATOM 49 SG CYS A 30 6.504 -0.282 0.526 1.00 0.00 S ATOM 0 H CYS A 30 9.820 -1.132 1.329 1.00 0.00 H new ATOM 0 HA CYS A 30 8.329 -2.266 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.633 0.634 -0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.725 0.027 -1.540 1.00 0.00 H new ATOM 0 HG CYS A 30 5.600 -0.992 -0.081 1.00 0.00 H new ATOM 50 N SER A 31 10.675 -2.375 -1.785 1.00 0.00 N ATOM 51 CA SER A 31 11.954 -2.395 -2.535 1.00 0.00 C ATOM 52 C SER A 31 12.008 -1.359 -3.647 1.00 0.00 C ATOM 53 O SER A 31 13.070 -0.810 -3.919 1.00 0.00 O ATOM 54 CB SER A 31 12.287 -3.744 -3.171 1.00 0.00 C ATOM 55 OG SER A 31 12.541 -4.709 -2.152 1.00 0.00 O ATOM 0 H SER A 31 10.197 -3.276 -1.760 1.00 0.00 H new ATOM 0 HA SER A 31 12.688 -2.168 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.460 -4.074 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.159 -3.646 -3.818 1.00 0.00 H new ATOM 0 HG SER A 31 12.469 -4.283 -1.273 1.00 0.00 H new ATOM 56 N ASN A 32 10.823 -1.053 -4.156 1.00 0.00 N ATOM 57 CA ASN A 32 10.473 0.101 -4.986 1.00 0.00 C ATOM 58 C ASN A 32 11.507 1.243 -4.984 1.00 0.00 C ATOM 59 O ASN A 32 11.826 1.761 -6.053 1.00 0.00 O ATOM 60 CB ASN A 32 9.133 0.548 -4.400 1.00 0.00 C ATOM 61 CG ASN A 32 8.444 1.757 -5.023 1.00 0.00 C ATOM 62 OD1 ASN A 32 7.388 2.150 -4.573 1.00 0.00 O ATOM 63 ND2 ASN A 32 8.967 2.393 -6.036 1.00 0.00 N ATOM 0 H ASN A 32 10.014 -1.651 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 32 10.435 -0.171 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.445 -0.295 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.286 0.760 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.489 3.202 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.854 2.081 -6.431 1.00 0.00 H new ATOM 64 N GLY A 33 11.702 1.805 -3.796 1.00 0.00 N ATOM 65 CA GLY A 33 12.811 2.754 -3.540 1.00 0.00 C ATOM 66 C GLY A 33 13.481 2.493 -2.184 1.00 0.00 C ATOM 67 O GLY A 33 14.002 3.411 -1.566 1.00 0.00 O ATOM 0 H GLY A 33 11.111 1.627 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.553 2.670 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.430 3.775 -3.567 1.00 0.00 H new ATOM 68 N GLY A 34 13.482 1.220 -1.795 1.00 0.00 N ATOM 69 CA GLY A 34 13.924 0.744 -0.472 1.00 0.00 C ATOM 70 C GLY A 34 13.256 1.461 0.709 1.00 0.00 C ATOM 71 O GLY A 34 13.906 1.731 1.715 1.00 0.00 O ATOM 0 H GLY A 34 13.168 0.464 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.721 -0.324 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.004 0.870 -0.395 1.00 0.00 H new ATOM 72 N HIS A 35 11.931 1.564 0.659 1.00 0.00 N ATOM 73 CA HIS A 35 11.160 2.263 1.701 1.00 0.00 C ATOM 74 C HIS A 35 10.182 1.391 2.502 1.00 0.00 C ATOM 75 O HIS A 35 10.154 0.186 2.338 1.00 0.00 O ATOM 76 CB HIS A 35 10.393 3.497 1.204 1.00 0.00 C ATOM 77 CG HIS A 35 10.223 3.694 -0.303 1.00 0.00 C ATOM 78 ND1 HIS A 35 10.848 4.640 -0.980 1.00 0.00 N ATOM 79 CD2 HIS A 35 9.288 3.176 -1.092 1.00 0.00 C ATOM 80 CE1 HIS A 35 10.289 4.736 -2.176 1.00 0.00 C ATOM 81 NE2 HIS A 35 9.325 3.817 -2.248 1.00 0.00 N ATOM 0 H HIS A 35 11.361 1.173 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 35 11.963 2.576 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.398 3.470 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.895 4.380 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.615 2.372 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.564 5.433 -2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.723 3.640 -3.052 1.00 0.00 H new ATOM 82 N PHE A 36 9.661 2.011 3.557 1.00 0.00 N ATOM 83 CA PHE A 36 8.546 1.514 4.376 1.00 0.00 C ATOM 84 C PHE A 36 7.320 2.425 4.259 1.00 0.00 C ATOM 85 O PHE A 36 7.451 3.643 4.140 1.00 0.00 O ATOM 86 CB PHE A 36 9.017 1.471 5.826 1.00 0.00 C ATOM 87 CG PHE A 36 9.774 0.171 6.095 1.00 0.00 C ATOM 88 CD1 PHE A 36 11.118 0.052 5.671 1.00 0.00 C ATOM 89 CD2 PHE A 36 9.147 -0.849 6.840 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.837 -1.124 5.990 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.858 -2.011 7.152 1.00 0.00 C ATOM 92 CZ PHE A 36 11.206 -2.144 6.726 1.00 0.00 C ATOM 0 H PHE A 36 10.015 2.911 3.883 1.00 0.00 H new ATOM 0 HA PHE A 36 8.254 0.523 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.662 2.325 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.161 1.548 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.589 0.847 5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.124 -0.733 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.862 -1.238 5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.385 -2.803 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.755 -3.041 6.970 1.00 0.00 H new ATOM 93 N LEU A 37 6.156 1.801 4.393 1.00 0.00 N ATOM 94 CA LEU A 37 4.863 2.445 4.088 1.00 0.00 C ATOM 95 C LEU A 37 4.289 3.251 5.267 1.00 0.00 C ATOM 96 O LEU A 37 3.571 2.731 6.118 1.00 0.00 O ATOM 97 CB LEU A 37 3.874 1.372 3.632 1.00 0.00 C ATOM 98 CG LEU A 37 2.652 2.014 2.971 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.992 2.670 1.624 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.592 0.939 2.770 1.00 0.00 C ATOM 0 H LEU A 37 6.071 0.837 4.715 1.00 0.00 H new ATOM 0 HA LEU A 37 5.033 3.170 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.361 0.695 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.560 0.773 4.486 1.00 0.00 H new ATOM 0 HG LEU A 37 2.285 2.805 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.091 3.111 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.740 3.448 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.387 1.917 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.713 1.379 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.990 0.151 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.314 0.517 3.736 1.00 0.00 H new ATOM 101 N ARG A 38 4.461 4.551 5.150 1.00 0.00 N ATOM 102 CA ARG A 38 4.166 5.502 6.238 1.00 0.00 C ATOM 103 C ARG A 38 2.846 6.234 6.001 1.00 0.00 C ATOM 104 O ARG A 38 2.726 7.039 5.075 1.00 0.00 O ATOM 105 CB ARG A 38 5.266 6.552 6.287 1.00 0.00 C ATOM 106 CG ARG A 38 6.585 6.045 6.866 1.00 0.00 C ATOM 107 CD ARG A 38 6.717 6.294 8.365 1.00 0.00 C ATOM 108 NE ARG A 38 6.696 7.745 8.584 1.00 0.00 N ATOM 109 CZ ARG A 38 6.788 8.387 9.743 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.438 7.884 10.789 1.00 0.00 N ATOM 111 NH2 ARG A 38 6.592 9.692 9.759 1.00 0.00 N ATOM 0 H ARG A 38 4.810 4.994 4.300 1.00 0.00 H new ATOM 0 HA ARG A 38 4.102 4.936 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.444 6.924 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.921 7.397 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.672 4.976 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.412 6.531 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.900 5.815 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.645 5.864 8.743 1.00 0.00 H new ATOM 0 HE ARG A 38 6.600 8.326 7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.890 6.972 10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.485 8.410 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.375 10.186 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.657 10.207 10.637 1.00 0.00 H new ATOM 112 N ILE A 39 1.935 6.059 6.952 1.00 0.00 N ATOM 113 CA ILE A 39 0.637 6.737 6.861 1.00 0.00 C ATOM 114 C ILE A 39 0.626 8.028 7.687 1.00 0.00 C ATOM 115 O ILE A 39 0.823 8.031 8.902 1.00 0.00 O ATOM 116 CB ILE A 39 -0.524 5.788 7.218 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.862 6.456 6.869 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.489 5.365 8.693 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.963 5.430 6.598 1.00 0.00 C ATOM 0 H ILE A 39 2.060 5.471 7.776 1.00 0.00 H new ATOM 0 HA ILE A 39 0.482 7.031 5.823 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.412 4.878 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.167 7.106 7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.733 7.089 5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.325 4.697 8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.448 4.849 8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.565 6.249 9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.891 5.948 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.671 4.796 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.112 4.814 7.485 1.00 0.00 H new ATOM 120 N LEU A 40 0.315 9.091 6.983 1.00 0.00 N ATOM 121 CA LEU A 40 0.140 10.380 7.655 1.00 0.00 C ATOM 122 C LEU A 40 -1.301 10.535 8.203 1.00 0.00 C ATOM 123 O LEU A 40 -2.278 10.473 7.442 1.00 0.00 O ATOM 124 CB LEU A 40 0.543 11.466 6.673 1.00 0.00 C ATOM 125 CG LEU A 40 0.876 12.785 7.355 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.234 12.720 8.067 1.00 0.00 C ATOM 127 CD2 LEU A 40 0.900 13.855 6.268 1.00 0.00 C ATOM 0 H LEU A 40 0.179 9.103 5.972 1.00 0.00 H new ATOM 0 HA LEU A 40 0.778 10.456 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.408 11.130 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.267 11.625 5.961 1.00 0.00 H new ATOM 0 HG LEU A 40 0.130 13.012 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.441 13.678 8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.211 11.936 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.016 12.500 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.136 14.821 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.658 13.603 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.076 13.906 5.786 1.00 0.00 H new ATOM 128 N PRO A 41 -1.405 10.776 9.516 1.00 0.00 N ATOM 129 CA PRO A 41 -2.669 11.129 10.199 1.00 0.00 C ATOM 130 C PRO A 41 -3.479 12.196 9.458 1.00 0.00 C ATOM 131 O PRO A 41 -4.701 12.125 9.427 1.00 0.00 O ATOM 132 CB PRO A 41 -2.230 11.636 11.571 1.00 0.00 C ATOM 133 CG PRO A 41 -1.009 10.776 11.878 1.00 0.00 C ATOM 134 CD PRO A 41 -0.340 10.578 10.515 1.00 0.00 C ATOM 0 HA PRO A 41 -3.336 10.269 10.250 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.981 12.697 11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.013 11.508 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.340 11.270 12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.294 9.823 12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.471 11.292 10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.094 9.581 10.433 1.00 0.00 H new ATOM 135 N ASP A 42 -2.782 13.155 8.836 1.00 0.00 N ATOM 136 CA ASP A 42 -3.365 14.124 7.898 1.00 0.00 C ATOM 137 C ASP A 42 -3.312 13.675 6.434 1.00 0.00 C ATOM 138 O ASP A 42 -2.776 14.337 5.548 1.00 0.00 O ATOM 139 CB ASP A 42 -2.662 15.477 8.102 1.00 0.00 C ATOM 140 CG ASP A 42 -3.065 16.095 9.434 1.00 0.00 C ATOM 141 OD1 ASP A 42 -4.142 16.721 9.447 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.309 15.889 10.414 1.00 0.00 O ATOM 0 H ASP A 42 -1.779 13.282 8.973 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.429 14.211 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.581 15.340 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.921 16.154 7.288 1.00 0.00 H new ATOM 143 N GLY A 43 -3.987 12.558 6.214 1.00 0.00 N ATOM 144 CA GLY A 43 -4.281 11.978 4.896 1.00 0.00 C ATOM 145 C GLY A 43 -3.153 11.172 4.238 1.00 0.00 C ATOM 146 O GLY A 43 -3.113 9.949 4.319 1.00 0.00 O ATOM 0 H GLY A 43 -4.366 11.999 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.152 11.330 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.561 12.787 4.221 1.00 0.00 H new ATOM 147 N THR A 44 -2.340 11.901 3.496 1.00 0.00 N ATOM 148 CA THR A 44 -1.353 11.395 2.514 1.00 0.00 C ATOM 149 C THR A 44 -0.412 10.342 3.081 1.00 0.00 C ATOM 150 O THR A 44 0.470 10.626 3.886 1.00 0.00 O ATOM 151 CB THR A 44 -0.498 12.574 2.036 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.395 13.599 1.626 1.00 0.00 O ATOM 153 CG2 THR A 44 0.450 12.217 0.883 1.00 0.00 C ATOM 0 H THR A 44 -2.337 12.919 3.553 1.00 0.00 H new ATOM 0 HA THR A 44 -1.921 10.929 1.709 1.00 0.00 H new ATOM 0 HB THR A 44 0.146 12.891 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.884 14.375 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.023 13.099 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.132 11.429 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.131 11.869 0.029 1.00 0.00 H new ATOM 154 N VAL A 45 -0.434 9.193 2.425 1.00 0.00 N ATOM 155 CA VAL A 45 0.528 8.122 2.738 1.00 0.00 C ATOM 156 C VAL A 45 1.790 8.400 1.905 1.00 0.00 C ATOM 157 O VAL A 45 1.750 8.740 0.723 1.00 0.00 O ATOM 158 CB VAL A 45 -0.052 6.737 2.431 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.744 5.618 3.079 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.484 6.587 2.978 1.00 0.00 C ATOM 0 H VAL A 45 -1.094 8.969 1.680 1.00 0.00 H new ATOM 0 HA VAL A 45 0.763 8.117 3.802 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.022 6.660 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.291 4.658 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.770 5.641 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.743 5.750 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.862 5.592 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.477 6.724 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.128 7.338 2.521 1.00 0.00 H new ATOM 161 N ASP A 46 2.903 8.135 2.559 1.00 0.00 N ATOM 162 CA ASP A 46 4.257 8.412 2.082 1.00 0.00 C ATOM 163 C ASP A 46 5.175 7.207 2.373 1.00 0.00 C ATOM 164 O ASP A 46 4.728 6.213 2.952 1.00 0.00 O ATOM 165 CB ASP A 46 4.748 9.687 2.777 1.00 0.00 C ATOM 166 CG ASP A 46 4.845 9.639 4.307 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.832 9.960 4.970 1.00 0.00 O ATOM 168 OD2 ASP A 46 5.975 9.403 4.797 1.00 0.00 O ATOM 0 H ASP A 46 2.895 7.700 3.482 1.00 0.00 H new ATOM 0 HA ASP A 46 4.269 8.567 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.733 9.934 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.080 10.504 2.503 1.00 0.00 H new ATOM 169 N GLY A 47 6.407 7.321 1.912 1.00 0.00 N ATOM 170 CA GLY A 47 7.440 6.282 2.090 1.00 0.00 C ATOM 171 C GLY A 47 8.672 6.814 2.812 1.00 0.00 C ATOM 172 O GLY A 47 9.107 7.947 2.614 1.00 0.00 O ATOM 0 H GLY A 47 6.735 8.138 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.022 5.449 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.732 5.892 1.115 1.00 0.00 H new ATOM 173 N THR A 48 9.239 5.935 3.624 1.00 0.00 N ATOM 174 CA THR A 48 10.507 6.232 4.309 1.00 0.00 C ATOM 175 C THR A 48 11.523 5.108 4.163 1.00 0.00 C ATOM 176 O THR A 48 11.203 3.953 4.417 1.00 0.00 O ATOM 177 CB THR A 48 10.283 6.587 5.779 1.00 0.00 C ATOM 178 OG1 THR A 48 11.538 7.083 6.224 1.00 0.00 O ATOM 179 CG2 THR A 48 9.908 5.440 6.714 1.00 0.00 C ATOM 0 H THR A 48 8.852 5.014 3.830 1.00 0.00 H new ATOM 0 HA THR A 48 10.928 7.107 3.814 1.00 0.00 H new ATOM 0 HB THR A 48 9.436 7.272 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.473 7.336 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.777 5.823 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.977 4.984 6.376 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.701 4.692 6.709 1.00 0.00 H new ATOM 180 N ARG A 49 12.778 5.507 4.010 1.00 0.00 N ATOM 181 CA ARG A 49 13.895 4.539 4.003 1.00 0.00 C ATOM 182 C ARG A 49 14.232 3.904 5.345 1.00 0.00 C ATOM 183 O ARG A 49 15.052 2.989 5.447 1.00 0.00 O ATOM 184 CB ARG A 49 15.173 5.152 3.426 1.00 0.00 C ATOM 185 CG ARG A 49 15.302 4.864 1.934 1.00 0.00 C ATOM 186 CD ARG A 49 14.800 6.021 1.077 1.00 0.00 C ATOM 187 NE ARG A 49 13.340 6.118 1.180 1.00 0.00 N ATOM 188 CZ ARG A 49 12.574 6.902 0.454 1.00 0.00 C ATOM 189 NH1 ARG A 49 13.081 7.432 -0.639 1.00 0.00 N ATOM 190 NH2 ARG A 49 11.281 7.003 0.688 1.00 0.00 N ATOM 0 H ARG A 49 13.059 6.480 3.889 1.00 0.00 H new ATOM 0 HA ARG A 49 13.518 3.739 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.169 6.229 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.040 4.752 3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.346 4.663 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.739 3.963 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.260 6.954 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.091 5.869 0.038 1.00 0.00 H new ATOM 0 HE ARG A 49 12.880 5.528 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.045 7.231 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.510 8.044 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.856 6.467 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.705 7.617 0.112 1.00 0.00 H new ATOM 191 N ASP A 50 13.593 4.386 6.392 1.00 0.00 N ATOM 192 CA ASP A 50 13.837 3.858 7.744 1.00 0.00 C ATOM 193 C ASP A 50 12.564 3.313 8.374 1.00 0.00 C ATOM 194 O ASP A 50 11.612 4.060 8.570 1.00 0.00 O ATOM 195 CB ASP A 50 14.458 4.932 8.634 1.00 0.00 C ATOM 196 CG ASP A 50 15.881 5.252 8.190 1.00 0.00 C ATOM 197 OD1 ASP A 50 16.797 4.565 8.698 1.00 0.00 O ATOM 198 OD2 ASP A 50 16.038 6.218 7.417 1.00 0.00 O ATOM 0 H ASP A 50 12.904 5.137 6.347 1.00 0.00 H new ATOM 0 HA ASP A 50 14.539 3.029 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.850 5.836 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.464 4.593 9.670 1.00 0.00 H new ATOM 199 N ARG A 51 12.669 2.097 8.879 1.00 0.00 N ATOM 200 CA ARG A 51 11.558 1.366 9.509 1.00 0.00 C ATOM 201 C ARG A 51 10.716 2.257 10.440 1.00 0.00 C ATOM 202 O ARG A 51 9.554 2.509 10.131 1.00 0.00 O ATOM 203 CB ARG A 51 12.190 0.190 10.237 1.00 0.00 C ATOM 204 CG ARG A 51 11.078 -0.693 10.770 1.00 0.00 C ATOM 205 CD ARG A 51 11.641 -1.734 11.708 1.00 0.00 C ATOM 206 NE ARG A 51 10.422 -2.365 12.245 1.00 0.00 N ATOM 207 CZ ARG A 51 10.241 -3.631 12.566 1.00 0.00 C ATOM 208 NH1 ARG A 51 11.200 -4.506 12.423 1.00 0.00 N ATOM 209 NH2 ARG A 51 9.163 -4.029 13.167 1.00 0.00 N ATOM 0 H ARG A 51 13.542 1.570 8.868 1.00 0.00 H new ATOM 0 HA ARG A 51 10.845 1.021 8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.832 -0.374 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.819 0.543 11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.339 -0.085 11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.562 -1.180 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.274 -2.452 11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.248 -1.287 12.495 1.00 0.00 H new ATOM 0 HE ARG A 51 9.622 -1.748 12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.107 -4.214 12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.042 -5.481 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.432 -3.357 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.046 -5.014 13.405 1.00 0.00 H new ATOM 210 N SER A 52 11.349 2.719 11.529 1.00 0.00 N ATOM 211 CA SER A 52 10.853 3.711 12.513 1.00 0.00 C ATOM 212 C SER A 52 9.636 3.291 13.337 1.00 0.00 C ATOM 213 O SER A 52 9.710 3.292 14.566 1.00 0.00 O ATOM 214 CB SER A 52 10.639 5.104 11.893 1.00 0.00 C ATOM 215 OG SER A 52 9.550 5.099 10.952 1.00 0.00 O ATOM 0 H SER A 52 12.285 2.391 11.768 1.00 0.00 H new ATOM 0 HA SER A 52 11.671 3.764 13.231 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.436 5.828 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.553 5.425 11.393 1.00 0.00 H new ATOM 0 HG SER A 52 9.343 4.176 10.696 1.00 0.00 H new ATOM 216 N ASP A 53 8.645 2.717 12.665 1.00 0.00 N ATOM 217 CA ASP A 53 7.285 2.401 13.157 1.00 0.00 C ATOM 218 C ASP A 53 6.643 3.469 14.055 1.00 0.00 C ATOM 219 O ASP A 53 6.496 3.315 15.271 1.00 0.00 O ATOM 220 CB ASP A 53 7.191 1.035 13.847 1.00 0.00 C ATOM 221 CG ASP A 53 7.524 -0.214 13.022 1.00 0.00 C ATOM 222 OD1 ASP A 53 8.153 -0.123 11.941 1.00 0.00 O ATOM 223 OD2 ASP A 53 7.307 -1.286 13.624 1.00 0.00 O ATOM 0 H ASP A 53 8.767 2.435 11.692 1.00 0.00 H new ATOM 0 HA ASP A 53 6.707 2.377 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.855 1.051 14.711 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.176 0.923 14.228 1.00 0.00 H new ATOM 224 N GLN A 54 6.533 4.642 13.464 1.00 0.00 N ATOM 225 CA GLN A 54 5.575 5.655 13.961 1.00 0.00 C ATOM 226 C GLN A 54 4.247 5.600 13.203 1.00 0.00 C ATOM 227 O GLN A 54 3.177 5.461 13.797 1.00 0.00 O ATOM 228 CB GLN A 54 6.105 7.086 13.859 1.00 0.00 C ATOM 229 CG GLN A 54 6.975 7.477 15.057 1.00 0.00 C ATOM 230 CD GLN A 54 8.351 6.821 14.988 1.00 0.00 C ATOM 231 OE1 GLN A 54 9.239 7.238 14.257 1.00 0.00 O ATOM 232 NE2 GLN A 54 8.509 5.684 15.633 1.00 0.00 N ATOM 0 H GLN A 54 7.078 4.931 12.651 1.00 0.00 H new ATOM 0 HA GLN A 54 5.428 5.403 15.011 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.686 7.190 12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.265 7.776 13.784 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.089 8.561 15.087 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.477 7.183 15.981 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.769 5.336 16.242 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.372 5.151 15.523 1.00 0.00 H new ATOM 233 N HIS A 55 4.408 5.447 11.894 1.00 0.00 N ATOM 234 CA HIS A 55 3.302 5.464 10.917 1.00 0.00 C ATOM 235 C HIS A 55 3.257 4.227 10.007 1.00 0.00 C ATOM 236 O HIS A 55 2.431 4.143 9.107 1.00 0.00 O ATOM 237 CB HIS A 55 3.442 6.752 10.105 1.00 0.00 C ATOM 238 CG HIS A 55 3.291 8.002 10.988 1.00 0.00 C ATOM 239 ND1 HIS A 55 4.078 9.065 10.953 1.00 0.00 N ATOM 240 CD2 HIS A 55 2.341 8.234 11.876 1.00 0.00 C ATOM 241 CE1 HIS A 55 3.619 9.980 11.799 1.00 0.00 C ATOM 242 NE2 HIS A 55 2.538 9.459 12.369 1.00 0.00 N ATOM 0 H HIS A 55 5.322 5.305 11.465 1.00 0.00 H new ATOM 0 HA HIS A 55 2.355 5.434 11.455 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.415 6.769 9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.688 6.769 9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.548 7.555 12.153 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.042 10.956 11.987 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.955 9.919 13.068 1.00 0.00 H new ATOM 243 N ILE A 56 3.938 3.187 10.466 1.00 0.00 N ATOM 244 CA ILE A 56 4.208 1.970 9.681 1.00 0.00 C ATOM 245 C ILE A 56 4.083 0.748 10.597 1.00 0.00 C ATOM 246 O ILE A 56 4.973 0.393 11.359 1.00 0.00 O ATOM 247 CB ILE A 56 5.533 2.077 8.887 1.00 0.00 C ATOM 248 CG1 ILE A 56 6.041 0.736 8.366 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.657 2.834 9.592 1.00 0.00 C ATOM 250 CD1 ILE A 56 5.068 0.145 7.352 1.00 0.00 C ATOM 0 H ILE A 56 4.329 3.155 11.408 1.00 0.00 H new ATOM 0 HA ILE A 56 3.460 1.846 8.898 1.00 0.00 H new ATOM 0 HB ILE A 56 5.245 2.688 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.019 0.867 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.172 0.044 9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.540 2.852 8.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.336 3.855 9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.899 2.335 10.531 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.451 -0.811 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.098 -0.007 7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.959 0.830 6.511 1.00 0.00 H new ATOM 251 N GLN A 57 2.812 0.395 10.679 1.00 0.00 N ATOM 252 CA GLN A 57 2.308 -0.813 11.344 1.00 0.00 C ATOM 253 C GLN A 57 0.879 -0.976 10.813 1.00 0.00 C ATOM 254 O GLN A 57 0.069 -0.063 10.950 1.00 0.00 O ATOM 255 CB GLN A 57 2.227 -0.567 12.857 1.00 0.00 C ATOM 256 CG GLN A 57 1.835 -1.812 13.646 1.00 0.00 C ATOM 257 CD GLN A 57 0.837 -1.432 14.744 1.00 0.00 C ATOM 258 OE1 GLN A 57 -0.109 -0.690 14.527 1.00 0.00 O ATOM 259 NE2 GLN A 57 0.923 -2.007 15.908 1.00 0.00 N ATOM 0 H GLN A 57 2.066 0.959 10.271 1.00 0.00 H new ATOM 0 HA GLN A 57 2.942 -1.680 11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.193 -0.208 13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.502 0.223 13.052 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.393 -2.553 12.980 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.721 -2.269 14.088 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.704 -2.631 16.112 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.210 -1.834 16.616 1.00 0.00 H new ATOM 260 N LEU A 58 0.634 -2.118 10.187 1.00 0.00 N ATOM 261 CA LEU A 58 -0.600 -2.347 9.429 1.00 0.00 C ATOM 262 C LEU A 58 -1.315 -3.690 9.642 1.00 0.00 C ATOM 263 O LEU A 58 -0.776 -4.619 10.246 1.00 0.00 O ATOM 264 CB LEU A 58 -0.411 -2.069 7.926 1.00 0.00 C ATOM 265 CG LEU A 58 0.818 -2.762 7.329 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.582 -3.175 5.881 1.00 0.00 C ATOM 267 CD2 LEU A 58 2.038 -1.852 7.388 1.00 0.00 C ATOM 0 H LEU A 58 1.276 -2.910 10.186 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.280 -1.615 9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.301 -2.397 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.324 -0.994 7.771 1.00 0.00 H new ATOM 0 HG LEU A 58 0.997 -3.655 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.475 -3.663 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.260 -3.866 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.361 -2.292 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.897 -2.367 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.840 -0.941 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.251 -1.595 8.426 1.00 0.00 H new ATOM 268 N GLN A 59 -2.563 -3.701 9.211 1.00 0.00 N ATOM 269 CA GLN A 59 -3.460 -4.864 9.310 1.00 0.00 C ATOM 270 C GLN A 59 -4.041 -5.186 7.928 1.00 0.00 C ATOM 271 O GLN A 59 -4.723 -4.352 7.338 1.00 0.00 O ATOM 272 CB GLN A 59 -4.613 -4.473 10.228 1.00 0.00 C ATOM 273 CG GLN A 59 -5.090 -5.650 11.068 1.00 0.00 C ATOM 274 CD GLN A 59 -4.195 -5.842 12.293 1.00 0.00 C ATOM 275 OE1 GLN A 59 -3.190 -6.526 12.314 1.00 0.00 O ATOM 276 NE2 GLN A 59 -4.584 -5.214 13.373 1.00 0.00 N ATOM 0 H GLN A 59 -3.001 -2.891 8.772 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.916 -5.729 9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.296 -3.662 10.884 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.442 -4.094 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.119 -5.482 11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.088 -6.558 10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.427 -4.641 13.354 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.044 -5.298 14.234 1.00 0.00 H new ATOM 277 N LEU A 60 -3.778 -6.405 7.479 1.00 0.00 N ATOM 278 CA LEU A 60 -4.397 -6.913 6.240 1.00 0.00 C ATOM 279 C LEU A 60 -5.717 -7.594 6.604 1.00 0.00 C ATOM 280 O LEU A 60 -5.771 -8.746 7.040 1.00 0.00 O ATOM 281 CB LEU A 60 -3.485 -7.921 5.532 1.00 0.00 C ATOM 282 CG LEU A 60 -2.044 -7.433 5.333 1.00 0.00 C ATOM 283 CD1 LEU A 60 -1.190 -8.588 4.832 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.904 -6.345 4.278 1.00 0.00 C ATOM 0 H LEU A 60 -3.149 -7.062 7.940 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.564 -6.077 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.467 -8.846 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.913 -8.161 4.559 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.734 -7.040 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.165 -8.247 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.205 -9.396 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.588 -8.950 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.858 -6.052 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.253 -6.723 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.501 -5.480 4.566 1.00 0.00 H new ATOM 285 N SER A 61 -6.784 -6.835 6.434 1.00 0.00 N ATOM 286 CA SER A 61 -8.111 -7.225 6.932 1.00 0.00 C ATOM 287 C SER A 61 -9.011 -7.672 5.772 1.00 0.00 C ATOM 288 O SER A 61 -9.831 -6.915 5.238 1.00 0.00 O ATOM 289 CB SER A 61 -8.656 -6.031 7.706 1.00 0.00 C ATOM 290 OG SER A 61 -9.993 -6.278 8.152 1.00 0.00 O ATOM 0 H SER A 61 -6.767 -5.936 5.952 1.00 0.00 H new ATOM 0 HA SER A 61 -8.064 -8.086 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.015 -5.825 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.638 -5.144 7.073 1.00 0.00 H new ATOM 0 HG SER A 61 -10.322 -5.499 8.648 1.00 0.00 H new ATOM 291 N ALA A 62 -8.549 -8.761 5.193 1.00 0.00 N ATOM 292 CA ALA A 62 -9.237 -9.493 4.110 1.00 0.00 C ATOM 293 C ALA A 62 -10.744 -9.652 4.294 1.00 0.00 C ATOM 294 O ALA A 62 -11.234 -9.915 5.387 1.00 0.00 O ATOM 295 CB ALA A 62 -8.589 -10.861 3.945 1.00 0.00 C ATOM 0 H ALA A 62 -7.661 -9.186 5.459 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.122 -8.883 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.091 -11.408 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.536 -10.737 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.675 -11.419 4.877 1.00 0.00 H new ATOM 296 N GLU A 63 -11.374 -9.026 3.315 1.00 0.00 N ATOM 297 CA GLU A 63 -12.787 -9.211 2.954 1.00 0.00 C ATOM 298 C GLU A 63 -12.979 -10.513 2.171 1.00 0.00 C ATOM 299 O GLU A 63 -14.059 -11.093 2.153 1.00 0.00 O ATOM 300 CB GLU A 63 -13.126 -7.986 2.107 1.00 0.00 C ATOM 301 CG GLU A 63 -14.600 -7.819 1.739 1.00 0.00 C ATOM 302 CD GLU A 63 -14.945 -8.395 0.334 1.00 0.00 C ATOM 303 OE1 GLU A 63 -14.912 -7.668 -0.676 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.382 -9.543 0.200 1.00 0.00 O ATOM 0 H GLU A 63 -10.904 -8.344 2.719 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.438 -9.293 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.802 -7.095 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.544 -8.032 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.215 -8.315 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.858 -6.760 1.765 1.00 0.00 H new ATOM 305 N SER A 64 -11.918 -10.909 1.497 1.00 0.00 N ATOM 306 CA SER A 64 -11.825 -12.166 0.742 1.00 0.00 C ATOM 307 C SER A 64 -10.340 -12.405 0.451 1.00 0.00 C ATOM 308 O SER A 64 -9.505 -11.528 0.684 1.00 0.00 O ATOM 309 CB SER A 64 -12.616 -12.000 -0.554 1.00 0.00 C ATOM 310 OG SER A 64 -12.590 -13.208 -1.299 1.00 0.00 O ATOM 0 H SER A 64 -11.063 -10.355 1.451 1.00 0.00 H new ATOM 0 HA SER A 64 -12.232 -13.014 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.646 -11.725 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.192 -11.189 -1.146 1.00 0.00 H new ATOM 0 HG SER A 64 -13.101 -13.093 -2.127 1.00 0.00 H new ATOM 311 N VAL A 65 -10.090 -13.607 -0.047 1.00 0.00 N ATOM 312 CA VAL A 65 -8.770 -14.217 -0.322 1.00 0.00 C ATOM 313 C VAL A 65 -8.057 -13.530 -1.515 1.00 0.00 C ATOM 314 O VAL A 65 -7.931 -14.007 -2.626 1.00 0.00 O ATOM 315 CB VAL A 65 -8.988 -15.735 -0.469 1.00 0.00 C ATOM 316 CG1 VAL A 65 -9.987 -16.148 -1.560 1.00 0.00 C ATOM 317 CG2 VAL A 65 -7.673 -16.507 -0.618 1.00 0.00 C ATOM 0 H VAL A 65 -10.852 -14.239 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.074 -14.059 0.502 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.452 -16.017 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.071 -17.235 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.963 -15.714 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.637 -15.789 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.885 -17.571 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.144 -16.158 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.052 -16.342 0.263 1.00 0.00 H new ATOM 318 N GLY A 66 -7.792 -12.267 -1.277 1.00 0.00 N ATOM 319 CA GLY A 66 -7.212 -11.328 -2.254 1.00 0.00 C ATOM 320 C GLY A 66 -7.314 -9.915 -1.674 1.00 0.00 C ATOM 321 O GLY A 66 -6.397 -9.406 -1.044 1.00 0.00 O ATOM 0 H GLY A 66 -7.974 -11.834 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.171 -11.583 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.744 -11.389 -3.203 1.00 0.00 H new ATOM 322 N GLU A 67 -8.478 -9.342 -1.907 1.00 0.00 N ATOM 323 CA GLU A 67 -8.844 -7.962 -1.488 1.00 0.00 C ATOM 324 C GLU A 67 -8.902 -7.820 0.026 1.00 0.00 C ATOM 325 O GLU A 67 -9.770 -8.333 0.738 1.00 0.00 O ATOM 326 CB GLU A 67 -10.097 -7.441 -2.188 1.00 0.00 C ATOM 327 CG GLU A 67 -11.378 -8.249 -1.974 1.00 0.00 C ATOM 328 CD GLU A 67 -11.523 -9.365 -3.015 1.00 0.00 C ATOM 329 OE1 GLU A 67 -10.886 -10.419 -2.790 1.00 0.00 O ATOM 330 OE2 GLU A 67 -12.180 -9.107 -4.044 1.00 0.00 O ATOM 0 H GLU A 67 -9.230 -9.818 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.036 -7.312 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.277 -6.420 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.897 -7.394 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.372 -8.682 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.241 -7.585 -2.029 1.00 0.00 H new ATOM 331 N VAL A 68 -7.886 -7.103 0.451 1.00 0.00 N ATOM 332 CA VAL A 68 -7.595 -6.798 1.862 1.00 0.00 C ATOM 333 C VAL A 68 -7.799 -5.313 2.158 1.00 0.00 C ATOM 334 O VAL A 68 -7.657 -4.438 1.315 1.00 0.00 O ATOM 335 CB VAL A 68 -6.205 -7.294 2.307 1.00 0.00 C ATOM 336 CG1 VAL A 68 -6.132 -8.807 2.175 1.00 0.00 C ATOM 337 CG2 VAL A 68 -5.025 -6.678 1.545 1.00 0.00 C ATOM 0 H VAL A 68 -7.205 -6.694 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.314 -7.356 2.461 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.105 -6.971 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.148 -9.153 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.896 -9.264 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.300 -9.090 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.091 -7.088 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.115 -6.911 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.029 -5.596 1.680 1.00 0.00 H new ATOM 338 N TYR A 69 -8.413 -5.138 3.318 1.00 0.00 N ATOM 339 CA TYR A 69 -8.584 -3.814 3.954 1.00 0.00 C ATOM 340 C TYR A 69 -7.372 -3.531 4.832 1.00 0.00 C ATOM 341 O TYR A 69 -7.186 -4.141 5.881 1.00 0.00 O ATOM 342 CB TYR A 69 -9.802 -3.739 4.862 1.00 0.00 C ATOM 343 CG TYR A 69 -11.123 -3.735 4.121 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.469 -2.614 3.345 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.050 -4.735 4.477 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.802 -2.473 2.932 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.383 -4.594 4.064 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.737 -3.469 3.291 1.00 0.00 C ATOM 349 OH TYR A 69 -15.023 -3.370 2.900 1.00 0.00 O ATOM 0 H TYR A 69 -8.813 -5.905 3.858 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.705 -3.095 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.784 -4.586 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.735 -2.836 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.726 -1.879 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.740 -5.592 5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.108 -1.617 2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.124 -5.333 4.333 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.527 -4.142 3.234 1.00 0.00 H new ATOM 350 N ILE A 70 -6.466 -2.755 4.278 1.00 0.00 N ATOM 351 CA ILE A 70 -5.265 -2.372 5.028 1.00 0.00 C ATOM 352 C ILE A 70 -5.533 -1.191 5.945 1.00 0.00 C ATOM 353 O ILE A 70 -5.588 -0.036 5.572 1.00 0.00 O ATOM 354 CB ILE A 70 -4.072 -2.129 4.095 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.936 -3.280 3.075 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.801 -2.033 4.947 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.873 -3.090 1.995 1.00 0.00 C ATOM 0 H ILE A 70 -6.524 -2.378 3.332 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.995 -3.211 5.669 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.225 -1.203 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.714 -4.198 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.900 -3.424 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.941 -1.860 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.897 -1.207 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.660 -2.964 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.865 -3.958 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.099 -2.195 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.894 -2.981 2.463 1.00 0.00 H new ATOM 358 N LYS A 71 -5.702 -1.568 7.195 1.00 0.00 N ATOM 359 CA LYS A 71 -5.780 -0.632 8.301 1.00 0.00 C ATOM 360 C LYS A 71 -4.343 -0.456 8.806 1.00 0.00 C ATOM 361 O LYS A 71 -3.763 -1.366 9.389 1.00 0.00 O ATOM 362 CB LYS A 71 -6.661 -1.313 9.320 1.00 0.00 C ATOM 363 CG LYS A 71 -6.676 -0.368 10.495 1.00 0.00 C ATOM 364 CD LYS A 71 -8.068 -0.054 10.907 1.00 0.00 C ATOM 365 CE LYS A 71 -7.883 -0.487 12.332 1.00 0.00 C ATOM 366 NZ LYS A 71 -8.889 0.351 12.908 1.00 0.00 N ATOM 0 H LYS A 71 -5.790 -2.544 7.477 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.187 0.350 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.665 -1.478 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.264 -2.289 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.137 -0.813 11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.154 0.552 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.330 0.999 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.824 -0.627 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.072 -1.550 12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.884 -0.282 12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.054 0.067 13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.573 1.341 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.772 0.254 12.368 1.00 0.00 H new ATOM 367 N SER A 72 -3.848 0.761 8.700 1.00 0.00 N ATOM 368 CA SER A 72 -2.494 1.070 9.200 1.00 0.00 C ATOM 369 C SER A 72 -2.634 1.484 10.662 1.00 0.00 C ATOM 370 O SER A 72 -2.820 2.651 11.018 1.00 0.00 O ATOM 371 CB SER A 72 -1.779 2.110 8.346 1.00 0.00 C ATOM 372 OG SER A 72 -0.401 2.141 8.758 1.00 0.00 O ATOM 0 H SER A 72 -4.341 1.550 8.282 1.00 0.00 H new ATOM 0 HA SER A 72 -1.855 0.189 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.857 1.856 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.238 3.090 8.473 1.00 0.00 H new ATOM 0 HG SER A 72 -0.245 1.446 9.431 1.00 0.00 H new ATOM 373 N THR A 73 -3.034 0.442 11.375 1.00 0.00 N ATOM 374 CA THR A 73 -3.438 0.428 12.801 1.00 0.00 C ATOM 375 C THR A 73 -2.517 1.098 13.839 1.00 0.00 C ATOM 376 O THR A 73 -2.887 1.172 15.004 1.00 0.00 O ATOM 377 CB THR A 73 -3.941 -0.972 13.213 1.00 0.00 C ATOM 378 OG1 THR A 73 -4.164 -1.050 14.619 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.089 -2.150 12.713 1.00 0.00 C ATOM 0 H THR A 73 -3.094 -0.487 10.958 1.00 0.00 H new ATOM 0 HA THR A 73 -4.268 1.134 12.834 1.00 0.00 H new ATOM 0 HB THR A 73 -4.893 -1.085 12.695 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.100 -0.154 15.011 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.527 -3.087 13.056 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.059 -2.141 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.076 -2.058 13.104 1.00 0.00 H new ATOM 380 N GLU A 74 -1.470 1.781 13.384 1.00 0.00 N ATOM 381 CA GLU A 74 -0.721 2.705 14.258 1.00 0.00 C ATOM 382 C GLU A 74 -1.394 4.068 14.402 1.00 0.00 C ATOM 383 O GLU A 74 -1.222 4.747 15.412 1.00 0.00 O ATOM 384 CB GLU A 74 0.691 2.878 13.720 1.00 0.00 C ATOM 385 CG GLU A 74 1.622 2.684 14.916 1.00 0.00 C ATOM 386 CD GLU A 74 3.124 2.628 14.604 1.00 0.00 C ATOM 387 OE1 GLU A 74 3.511 2.606 13.407 1.00 0.00 O ATOM 388 OE2 GLU A 74 3.854 2.450 15.597 1.00 0.00 O ATOM 0 H GLU A 74 -1.117 1.720 12.429 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.698 2.261 15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.903 2.149 12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.823 3.866 13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.449 3.497 15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.342 1.760 15.421 1.00 0.00 H new ATOM 389 N THR A 75 -2.087 4.452 13.345 1.00 0.00 N ATOM 390 CA THR A 75 -2.902 5.691 13.304 1.00 0.00 C ATOM 391 C THR A 75 -4.393 5.362 13.349 1.00 0.00 C ATOM 392 O THR A 75 -5.232 6.250 13.511 1.00 0.00 O ATOM 393 CB THR A 75 -2.645 6.529 12.052 1.00 0.00 C ATOM 394 OG1 THR A 75 -2.891 5.772 10.856 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.242 7.133 12.047 1.00 0.00 C ATOM 0 H THR A 75 -2.112 3.920 12.475 1.00 0.00 H new ATOM 0 HA THR A 75 -2.605 6.268 14.180 1.00 0.00 H new ATOM 0 HB THR A 75 -3.352 7.359 12.072 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.283 6.356 10.174 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.102 7.720 11.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.120 7.776 12.918 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.502 6.334 12.080 1.00 0.00 H new ATOM 396 N GLY A 76 -4.698 4.128 12.963 1.00 0.00 N ATOM 397 CA GLY A 76 -6.058 3.571 12.969 1.00 0.00 C ATOM 398 C GLY A 76 -6.822 3.970 11.690 1.00 0.00 C ATOM 399 O GLY A 76 -8.044 4.056 11.690 1.00 0.00 O ATOM 0 H GLY A 76 -3.996 3.468 12.629 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.010 2.485 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.598 3.928 13.846 1.00 0.00 H new ATOM 400 N GLN A 77 -6.095 3.970 10.585 1.00 0.00 N ATOM 401 CA GLN A 77 -6.627 4.441 9.294 1.00 0.00 C ATOM 402 C GLN A 77 -6.512 3.396 8.194 1.00 0.00 C ATOM 403 O GLN A 77 -5.442 2.827 7.983 1.00 0.00 O ATOM 404 CB GLN A 77 -5.834 5.669 8.834 1.00 0.00 C ATOM 405 CG GLN A 77 -6.118 6.906 9.670 1.00 0.00 C ATOM 406 CD GLN A 77 -5.209 8.068 9.276 1.00 0.00 C ATOM 407 OE1 GLN A 77 -3.986 8.024 9.354 1.00 0.00 O ATOM 408 NE2 GLN A 77 -5.809 9.111 8.767 1.00 0.00 N ATOM 0 H GLN A 77 -5.128 3.649 10.545 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.681 4.668 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.768 5.444 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.072 5.879 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.160 7.199 9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.977 6.674 10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.827 9.135 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.259 9.901 8.429 1.00 0.00 H new ATOM 409 N TYR A 78 -7.543 3.357 7.370 1.00 0.00 N ATOM 410 CA TYR A 78 -7.585 2.495 6.177 1.00 0.00 C ATOM 411 C TYR A 78 -6.868 3.120 4.971 1.00 0.00 C ATOM 412 O TYR A 78 -7.117 4.252 4.570 1.00 0.00 O ATOM 413 CB TYR A 78 -9.019 2.171 5.772 1.00 0.00 C ATOM 414 CG TYR A 78 -9.732 1.317 6.812 1.00 0.00 C ATOM 415 CD1 TYR A 78 -9.594 -0.089 6.781 1.00 0.00 C ATOM 416 CD2 TYR A 78 -10.486 1.982 7.801 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.225 -0.845 7.780 1.00 0.00 C ATOM 418 CE2 TYR A 78 -11.117 1.225 8.801 1.00 0.00 C ATOM 419 CZ TYR A 78 -10.979 -0.171 8.759 1.00 0.00 C ATOM 420 OH TYR A 78 -11.740 -0.900 9.609 1.00 0.00 O ATOM 0 H TYR A 78 -8.384 3.920 7.500 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.063 1.581 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.572 3.099 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.015 1.648 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.016 -0.570 6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.577 3.058 7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.134 -1.921 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -11.692 1.703 9.580 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.203 -0.300 10.230 1.00 0.00 H new ATOM 421 N LEU A 79 -5.923 2.332 4.468 1.00 0.00 N ATOM 422 CA LEU A 79 -5.167 2.595 3.235 1.00 0.00 C ATOM 423 C LEU A 79 -6.076 2.496 2.020 1.00 0.00 C ATOM 424 O LEU A 79 -6.580 1.447 1.640 1.00 0.00 O ATOM 425 CB LEU A 79 -4.084 1.511 3.201 1.00 0.00 C ATOM 426 CG LEU A 79 -2.928 1.841 2.264 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.012 2.918 2.856 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.092 0.572 2.095 1.00 0.00 C ATOM 0 H LEU A 79 -5.648 1.460 4.920 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.740 3.598 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.695 1.364 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.534 0.567 2.893 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.337 2.205 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.199 3.127 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.585 3.829 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.599 2.565 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.254 0.775 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.714 0.253 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.711 -0.218 1.670 1.00 0.00 H new ATOM 429 N ALA A 80 -6.294 3.676 1.460 1.00 0.00 N ATOM 430 CA ALA A 80 -7.402 3.878 0.526 1.00 0.00 C ATOM 431 C ALA A 80 -6.987 4.848 -0.571 1.00 0.00 C ATOM 432 O ALA A 80 -6.309 5.845 -0.319 1.00 0.00 O ATOM 433 CB ALA A 80 -8.597 4.414 1.296 1.00 0.00 C ATOM 0 H ALA A 80 -5.726 4.505 1.631 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.672 2.933 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.431 4.569 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.887 3.697 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.332 5.361 1.766 1.00 0.00 H new ATOM 434 N MET A 81 -7.188 4.361 -1.791 1.00 0.00 N ATOM 435 CA MET A 81 -6.842 5.147 -2.975 1.00 0.00 C ATOM 436 C MET A 81 -7.988 6.035 -3.430 1.00 0.00 C ATOM 437 O MET A 81 -9.147 5.875 -3.048 1.00 0.00 O ATOM 438 CB MET A 81 -6.304 4.229 -4.080 1.00 0.00 C ATOM 439 CG MET A 81 -7.332 3.385 -4.842 1.00 0.00 C ATOM 440 SD MET A 81 -8.230 4.364 -6.106 1.00 0.00 S ATOM 441 CE MET A 81 -8.657 3.040 -7.220 1.00 0.00 C ATOM 0 H MET A 81 -7.582 3.441 -1.987 1.00 0.00 H new ATOM 0 HA MET A 81 -6.041 5.837 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.769 4.845 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.574 3.553 -3.634 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.827 2.548 -5.324 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.047 2.962 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.056 3.457 -8.145 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.768 2.450 -7.442 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.409 2.402 -6.756 1.00 0.00 H new ATOM 442 N ASP A 82 -7.502 7.179 -3.886 1.00 0.00 N ATOM 443 CA ASP A 82 -8.271 8.177 -4.635 1.00 0.00 C ATOM 444 C ASP A 82 -8.002 7.901 -6.116 1.00 0.00 C ATOM 445 O ASP A 82 -6.904 7.495 -6.486 1.00 0.00 O ATOM 446 CB ASP A 82 -7.686 9.520 -4.208 1.00 0.00 C ATOM 447 CG ASP A 82 -8.709 10.659 -4.203 1.00 0.00 C ATOM 448 OD1 ASP A 82 -9.646 10.597 -5.016 1.00 0.00 O ATOM 449 OD2 ASP A 82 -8.448 11.621 -3.438 1.00 0.00 O ATOM 0 H ASP A 82 -6.530 7.453 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.347 8.158 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.260 9.421 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.868 9.781 -4.879 1.00 0.00 H new ATOM 450 N THR A 83 -8.972 8.320 -6.918 1.00 0.00 N ATOM 451 CA THR A 83 -9.064 8.204 -8.405 1.00 0.00 C ATOM 452 C THR A 83 -8.190 9.180 -9.190 1.00 0.00 C ATOM 453 O THR A 83 -8.413 9.538 -10.351 1.00 0.00 O ATOM 454 CB THR A 83 -10.515 8.368 -8.828 1.00 0.00 C ATOM 455 OG1 THR A 83 -11.086 9.493 -8.153 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.318 7.099 -8.551 1.00 0.00 C ATOM 0 H THR A 83 -9.791 8.791 -6.535 1.00 0.00 H new ATOM 0 HA THR A 83 -8.679 7.214 -8.649 1.00 0.00 H new ATOM 0 HB THR A 83 -10.549 8.544 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.021 9.599 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.352 7.247 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.886 6.267 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.290 6.876 -7.484 1.00 0.00 H new ATOM 457 N ASP A 84 -7.108 9.445 -8.504 1.00 0.00 N ATOM 458 CA ASP A 84 -5.917 10.138 -8.995 1.00 0.00 C ATOM 459 C ASP A 84 -4.642 9.327 -8.747 1.00 0.00 C ATOM 460 O ASP A 84 -3.553 9.783 -9.054 1.00 0.00 O ATOM 461 CB ASP A 84 -5.717 11.469 -8.260 1.00 0.00 C ATOM 462 CG ASP A 84 -6.809 12.474 -8.598 1.00 0.00 C ATOM 463 OD1 ASP A 84 -7.844 12.413 -7.899 1.00 0.00 O ATOM 464 OD2 ASP A 84 -6.633 13.259 -9.545 1.00 0.00 O ATOM 0 H ASP A 84 -7.017 9.171 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.080 10.286 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.707 11.292 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.745 11.887 -8.523 1.00 0.00 H new ATOM 465 N GLY A 85 -4.841 8.132 -8.185 1.00 0.00 N ATOM 466 CA GLY A 85 -3.792 7.340 -7.551 1.00 0.00 C ATOM 467 C GLY A 85 -3.061 8.010 -6.399 1.00 0.00 C ATOM 468 O GLY A 85 -1.842 7.874 -6.286 1.00 0.00 O ATOM 0 H GLY A 85 -5.756 7.682 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.234 6.413 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.060 7.067 -8.311 1.00 0.00 H new ATOM 469 N LEU A 86 -3.846 8.456 -5.426 1.00 0.00 N ATOM 470 CA LEU A 86 -3.245 9.022 -4.222 1.00 0.00 C ATOM 471 C LEU A 86 -3.827 8.265 -3.036 1.00 0.00 C ATOM 472 O LEU A 86 -5.035 8.025 -2.973 1.00 0.00 O ATOM 473 CB LEU A 86 -3.510 10.523 -4.208 1.00 0.00 C ATOM 474 CG LEU A 86 -2.404 11.334 -3.506 1.00 0.00 C ATOM 475 CD1 LEU A 86 -2.538 11.251 -1.986 1.00 0.00 C ATOM 476 CD2 LEU A 86 -0.978 10.955 -3.922 1.00 0.00 C ATOM 0 H LEU A 86 -4.866 8.440 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.162 8.910 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.613 10.876 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.461 10.712 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.559 12.361 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.744 11.833 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.506 11.650 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.460 10.211 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.264 11.575 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.798 9.905 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.857 11.115 -4.993 1.00 0.00 H new ATOM 477 N LEU A 87 -2.930 7.581 -2.329 1.00 0.00 N ATOM 478 CA LEU A 87 -3.293 6.901 -1.082 1.00 0.00 C ATOM 479 C LEU A 87 -3.400 7.898 0.070 1.00 0.00 C ATOM 480 O LEU A 87 -2.602 8.815 0.254 1.00 0.00 O ATOM 481 CB LEU A 87 -2.255 5.855 -0.696 1.00 0.00 C ATOM 482 CG LEU A 87 -2.234 4.653 -1.649 1.00 0.00 C ATOM 483 CD1 LEU A 87 -1.068 3.725 -1.314 1.00 0.00 C ATOM 484 CD2 LEU A 87 -3.515 3.853 -1.446 1.00 0.00 C ATOM 0 H LEU A 87 -1.950 7.481 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.255 6.419 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.268 6.318 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.458 5.506 0.316 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.139 5.019 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.069 2.878 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.129 4.270 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.173 3.364 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.517 2.993 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.569 3.508 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.377 4.484 -1.663 1.00 0.00 H new ATOM 485 N TYR A 88 -4.488 7.669 0.774 1.00 0.00 N ATOM 486 CA TYR A 88 -4.827 8.420 1.985 1.00 0.00 C ATOM 487 C TYR A 88 -5.328 7.499 3.101 1.00 0.00 C ATOM 488 O TYR A 88 -5.666 6.335 2.875 1.00 0.00 O ATOM 489 CB TYR A 88 -5.805 9.568 1.668 1.00 0.00 C ATOM 490 CG TYR A 88 -7.121 9.100 1.030 1.00 0.00 C ATOM 491 CD1 TYR A 88 -8.175 8.668 1.864 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.163 8.958 -0.370 1.00 0.00 C ATOM 493 CE1 TYR A 88 -9.275 7.999 1.279 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.263 8.280 -0.943 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.283 7.783 -0.114 1.00 0.00 C ATOM 496 OH TYR A 88 -10.120 6.849 -0.624 1.00 0.00 O ATOM 0 H TYR A 88 -5.173 6.954 0.529 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.915 8.881 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.029 10.107 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.317 10.274 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.142 8.845 2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.374 9.357 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.097 7.658 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.319 8.145 -2.013 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.758 6.512 -1.470 1.00 0.00 H new ATOM 497 N GLY A 89 -5.143 8.022 4.294 1.00 0.00 N ATOM 498 CA GLY A 89 -5.570 7.440 5.571 1.00 0.00 C ATOM 499 C GLY A 89 -7.041 7.744 5.832 1.00 0.00 C ATOM 500 O GLY A 89 -7.395 8.817 6.337 1.00 0.00 O ATOM 0 H GLY A 89 -4.665 8.915 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.413 6.362 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.961 7.840 6.381 1.00 0.00 H new ATOM 501 N SER A 90 -7.859 6.765 5.503 1.00 0.00 N ATOM 502 CA SER A 90 -9.325 6.915 5.576 1.00 0.00 C ATOM 503 C SER A 90 -9.984 6.319 6.786 1.00 0.00 C ATOM 504 O SER A 90 -9.683 5.251 7.317 1.00 0.00 O ATOM 505 CB SER A 90 -9.897 6.313 4.292 1.00 0.00 C ATOM 506 OG SER A 90 -11.314 6.440 4.151 1.00 0.00 O ATOM 0 H SER A 90 -7.547 5.849 5.180 1.00 0.00 H new ATOM 0 HA SER A 90 -9.540 7.979 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.417 6.790 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.635 5.256 4.255 1.00 0.00 H new ATOM 0 HG SER A 90 -11.597 6.032 3.306 1.00 0.00 H new ATOM 507 N GLN A 91 -11.084 7.020 6.999 1.00 0.00 N ATOM 508 CA GLN A 91 -12.096 6.753 8.022 1.00 0.00 C ATOM 509 C GLN A 91 -12.979 5.519 7.737 1.00 0.00 C ATOM 510 O GLN A 91 -13.477 4.865 8.638 1.00 0.00 O ATOM 511 CB GLN A 91 -12.934 8.003 8.158 1.00 0.00 C ATOM 512 CG GLN A 91 -13.692 8.369 6.855 1.00 0.00 C ATOM 513 CD GLN A 91 -14.919 9.356 6.849 1.00 0.00 C ATOM 514 OE1 GLN A 91 -15.057 10.578 6.748 1.00 0.00 O ATOM 515 NE2 GLN A 91 -14.234 10.126 7.311 1.00 0.00 N ATOM 0 H GLN A 91 -11.313 7.838 6.434 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.586 6.506 8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.654 7.865 8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.291 8.836 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.954 8.782 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.041 7.432 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.429 9.827 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.421 11.120 7.178 1.00 0.00 H new ATOM 516 N THR A 92 -13.048 5.158 6.464 1.00 0.00 N ATOM 517 CA THR A 92 -13.998 4.149 5.977 1.00 0.00 C ATOM 518 C THR A 92 -13.272 2.960 5.361 1.00 0.00 C ATOM 519 O THR A 92 -12.382 3.162 4.519 1.00 0.00 O ATOM 520 CB THR A 92 -15.012 4.712 4.972 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.388 5.375 3.866 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.045 5.596 5.672 1.00 0.00 C ATOM 0 H THR A 92 -12.452 5.551 5.735 1.00 0.00 H new ATOM 0 HA THR A 92 -14.555 3.820 6.854 1.00 0.00 H new ATOM 0 HB THR A 92 -15.543 3.862 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.077 5.713 3.256 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.751 5.982 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.581 5.009 6.417 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.540 6.429 6.161 1.00 0.00 H new ATOM 523 N PRO A 93 -13.669 1.751 5.741 1.00 0.00 N ATOM 524 CA PRO A 93 -13.295 0.548 4.995 1.00 0.00 C ATOM 525 C PRO A 93 -14.121 0.523 3.694 1.00 0.00 C ATOM 526 O PRO A 93 -15.230 -0.009 3.579 1.00 0.00 O ATOM 527 CB PRO A 93 -13.576 -0.608 5.951 1.00 0.00 C ATOM 528 CG PRO A 93 -14.674 -0.085 6.864 1.00 0.00 C ATOM 529 CD PRO A 93 -14.355 1.413 7.006 1.00 0.00 C ATOM 0 HA PRO A 93 -12.252 0.497 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.898 -1.500 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.685 -0.881 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.662 -0.244 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.664 -0.589 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.261 2.004 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.719 1.606 7.870 1.00 0.00 H new ATOM 530 N ASN A 94 -13.513 1.133 2.707 1.00 0.00 N ATOM 531 CA ASN A 94 -14.180 1.479 1.461 1.00 0.00 C ATOM 532 C ASN A 94 -13.839 0.450 0.385 1.00 0.00 C ATOM 533 O ASN A 94 -12.817 -0.230 0.409 1.00 0.00 O ATOM 534 CB ASN A 94 -13.645 2.850 1.046 1.00 0.00 C ATOM 535 CG ASN A 94 -14.576 3.521 0.045 1.00 0.00 C ATOM 536 OD1 ASN A 94 -14.467 3.418 -1.172 1.00 0.00 O ATOM 537 ND2 ASN A 94 -15.560 4.181 0.557 1.00 0.00 N ATOM 0 H ASN A 94 -12.532 1.409 2.739 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.263 1.495 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.536 3.483 1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.653 2.739 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -16.251 4.620 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.646 4.264 1.570 1.00 0.00 H new ATOM 538 N GLU A 95 -14.673 0.516 -0.624 1.00 0.00 N ATOM 539 CA GLU A 95 -14.463 -0.124 -1.929 1.00 0.00 C ATOM 540 C GLU A 95 -13.088 0.215 -2.528 1.00 0.00 C ATOM 541 O GLU A 95 -12.436 -0.642 -3.123 1.00 0.00 O ATOM 542 CB GLU A 95 -15.579 0.495 -2.741 1.00 0.00 C ATOM 543 CG GLU A 95 -15.879 -0.329 -3.987 1.00 0.00 C ATOM 544 CD GLU A 95 -17.048 0.327 -4.718 1.00 0.00 C ATOM 545 OE1 GLU A 95 -16.809 1.327 -5.419 1.00 0.00 O ATOM 546 OE2 GLU A 95 -18.196 -0.116 -4.471 1.00 0.00 O ATOM 0 H GLU A 95 -15.552 1.031 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.477 -1.213 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.477 0.573 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.302 1.509 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.003 -0.374 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.128 -1.355 -3.715 1.00 0.00 H new ATOM 547 N GLU A 96 -12.562 1.380 -2.148 1.00 0.00 N ATOM 548 CA GLU A 96 -11.255 1.865 -2.627 1.00 0.00 C ATOM 549 C GLU A 96 -10.093 1.237 -1.894 1.00 0.00 C ATOM 550 O GLU A 96 -9.022 1.045 -2.474 1.00 0.00 O ATOM 551 CB GLU A 96 -11.152 3.387 -2.514 1.00 0.00 C ATOM 552 CG GLU A 96 -12.020 3.989 -3.611 1.00 0.00 C ATOM 553 CD GLU A 96 -12.194 5.507 -3.619 1.00 0.00 C ATOM 554 OE1 GLU A 96 -13.070 5.969 -2.857 1.00 0.00 O ATOM 555 OE2 GLU A 96 -11.602 6.148 -4.520 1.00 0.00 O ATOM 0 H GLU A 96 -13.025 2.018 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.196 1.569 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.488 3.722 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.117 3.710 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.600 3.693 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.010 3.537 -3.543 1.00 0.00 H new ATOM 556 N CYS A 97 -10.316 1.040 -0.596 1.00 0.00 N ATOM 557 CA CYS A 97 -9.374 0.410 0.321 1.00 0.00 C ATOM 558 C CYS A 97 -9.112 -1.085 0.053 1.00 0.00 C ATOM 559 O CYS A 97 -8.153 -1.666 0.562 1.00 0.00 O ATOM 560 CB CYS A 97 -9.897 0.519 1.760 1.00 0.00 C ATOM 561 SG CYS A 97 -8.782 -0.070 3.093 1.00 0.00 S ATOM 0 H CYS A 97 -11.184 1.324 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.437 0.945 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.138 1.564 1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.830 -0.041 1.826 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.575 0.357 2.869 1.00 0.00 H new ATOM 562 N LEU A 98 -10.037 -1.696 -0.672 1.00 0.00 N ATOM 563 CA LEU A 98 -10.023 -3.136 -0.998 1.00 0.00 C ATOM 564 C LEU A 98 -8.936 -3.513 -1.996 1.00 0.00 C ATOM 565 O LEU A 98 -8.999 -3.222 -3.189 1.00 0.00 O ATOM 566 CB LEU A 98 -11.444 -3.537 -1.409 1.00 0.00 C ATOM 567 CG LEU A 98 -12.166 -3.958 -0.136 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.695 -3.926 -0.332 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.719 -5.306 0.405 1.00 0.00 C ATOM 0 H LEU A 98 -10.840 -1.204 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.744 -3.719 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.958 -2.704 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.422 -4.354 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.888 -3.224 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.187 -4.231 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.007 -2.915 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.973 -4.610 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.278 -5.537 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.904 -6.078 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.654 -5.271 0.634 1.00 0.00 H new ATOM 570 N PHE A 99 -7.833 -3.941 -1.413 1.00 0.00 N ATOM 571 CA PHE A 99 -6.572 -4.076 -2.152 1.00 0.00 C ATOM 572 C PHE A 99 -6.170 -5.517 -2.333 1.00 0.00 C ATOM 573 O PHE A 99 -5.849 -6.237 -1.393 1.00 0.00 O ATOM 574 CB PHE A 99 -5.429 -3.351 -1.444 1.00 0.00 C ATOM 575 CG PHE A 99 -5.637 -1.836 -1.303 1.00 0.00 C ATOM 576 CD1 PHE A 99 -6.261 -1.141 -2.363 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.853 -1.162 -0.344 1.00 0.00 C ATOM 578 CE1 PHE A 99 -6.062 0.242 -2.505 1.00 0.00 C ATOM 579 CE2 PHE A 99 -4.638 0.220 -0.505 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.242 0.914 -1.574 1.00 0.00 C ATOM 0 H PHE A 99 -7.775 -4.204 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.752 -3.627 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.299 -3.783 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.505 -3.530 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.890 -1.672 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.427 -1.694 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.530 0.783 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.008 0.751 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.074 1.975 -1.682 1.00 0.00 H new ATOM 581 N LEU A 100 -6.364 -5.934 -3.579 1.00 0.00 N ATOM 582 CA LEU A 100 -6.137 -7.299 -4.041 1.00 0.00 C ATOM 583 C LEU A 100 -4.675 -7.746 -4.020 1.00 0.00 C ATOM 584 O LEU A 100 -3.902 -7.428 -4.917 1.00 0.00 O ATOM 585 CB LEU A 100 -6.754 -7.512 -5.429 1.00 0.00 C ATOM 586 CG LEU A 100 -7.451 -8.846 -5.325 1.00 0.00 C ATOM 587 CD1 LEU A 100 -8.888 -8.817 -5.888 1.00 0.00 C ATOM 588 CD2 LEU A 100 -6.688 -10.015 -5.970 1.00 0.00 C ATOM 0 H LEU A 100 -6.694 -5.313 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.641 -7.937 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.455 -6.715 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.990 -7.521 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.485 -9.026 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.339 -9.804 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.481 -8.088 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.861 -8.538 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.261 -10.934 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.545 -9.814 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.717 -10.126 -5.487 1.00 0.00 H new ATOM 589 N GLU A 101 -4.324 -8.312 -2.874 1.00 0.00 N ATOM 590 CA GLU A 101 -2.988 -8.885 -2.657 1.00 0.00 C ATOM 591 C GLU A 101 -2.666 -10.000 -3.657 1.00 0.00 C ATOM 592 O GLU A 101 -3.263 -11.078 -3.659 1.00 0.00 O ATOM 593 CB GLU A 101 -2.719 -9.285 -1.207 1.00 0.00 C ATOM 594 CG GLU A 101 -3.541 -10.440 -0.611 1.00 0.00 C ATOM 595 CD GLU A 101 -3.092 -10.751 0.829 1.00 0.00 C ATOM 596 OE1 GLU A 101 -1.860 -10.772 1.057 1.00 0.00 O ATOM 597 OE2 GLU A 101 -3.988 -10.976 1.662 1.00 0.00 O ATOM 0 H GLU A 101 -4.946 -8.391 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.284 -8.077 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.665 -9.548 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.878 -8.405 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.599 -10.179 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.428 -11.329 -1.231 1.00 0.00 H new ATOM 598 N ARG A 102 -1.850 -9.591 -4.609 1.00 0.00 N ATOM 599 CA ARG A 102 -1.286 -10.411 -5.683 1.00 0.00 C ATOM 600 C ARG A 102 0.197 -10.624 -5.341 1.00 0.00 C ATOM 601 O ARG A 102 1.105 -9.893 -5.752 1.00 0.00 O ATOM 602 CB ARG A 102 -1.496 -9.633 -6.977 1.00 0.00 C ATOM 603 CG ARG A 102 -1.173 -10.543 -8.167 1.00 0.00 C ATOM 604 CD ARG A 102 -1.277 -9.843 -9.511 1.00 0.00 C ATOM 605 NE ARG A 102 -0.209 -8.812 -9.558 1.00 0.00 N ATOM 606 CZ ARG A 102 0.816 -8.790 -10.385 1.00 0.00 C ATOM 607 NH1 ARG A 102 0.932 -9.794 -11.186 1.00 0.00 N ATOM 608 NH2 ARG A 102 1.793 -7.918 -10.331 1.00 0.00 N ATOM 0 H ARG A 102 -1.540 -8.621 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.751 -11.391 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.526 -9.281 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.856 -8.751 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.164 -10.938 -8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.852 -11.396 -8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.158 -10.557 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.259 -9.385 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.276 -8.048 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.249 -10.551 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.707 -9.831 -11.849 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.791 -7.194 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.555 -7.964 -11.007 1.00 0.00 H new ATOM 609 N LEU A 103 0.286 -11.340 -4.223 1.00 0.00 N ATOM 610 CA LEU A 103 1.529 -11.889 -3.695 1.00 0.00 C ATOM 611 C LEU A 103 2.008 -13.018 -4.615 1.00 0.00 C ATOM 612 O LEU A 103 1.530 -14.151 -4.640 1.00 0.00 O ATOM 613 CB LEU A 103 1.400 -12.323 -2.230 1.00 0.00 C ATOM 614 CG LEU A 103 2.635 -13.055 -1.664 1.00 0.00 C ATOM 615 CD1 LEU A 103 3.937 -12.259 -1.843 1.00 0.00 C ATOM 616 CD2 LEU A 103 2.427 -13.364 -0.184 1.00 0.00 C ATOM 0 H LEU A 103 -0.526 -11.559 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 103 2.288 -11.107 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.206 -11.441 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.532 -12.975 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 103 2.739 -13.979 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.770 -12.825 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.113 -12.084 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.853 -11.303 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.304 -13.881 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.280 -12.434 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.549 -13.999 -0.065 1.00 0.00 H new ATOM 617 N GLU A 104 3.011 -12.589 -5.335 1.00 0.00 N ATOM 618 CA GLU A 104 3.577 -13.352 -6.455 1.00 0.00 C ATOM 619 C GLU A 104 4.922 -13.969 -6.076 1.00 0.00 C ATOM 620 O GLU A 104 5.724 -13.332 -5.403 1.00 0.00 O ATOM 621 CB GLU A 104 3.641 -12.446 -7.693 1.00 0.00 C ATOM 622 CG GLU A 104 4.449 -11.158 -7.528 1.00 0.00 C ATOM 623 CD GLU A 104 4.463 -10.263 -8.776 1.00 0.00 C ATOM 624 OE1 GLU A 104 4.220 -10.750 -9.897 1.00 0.00 O ATOM 625 OE2 GLU A 104 4.846 -9.084 -8.583 1.00 0.00 O ATOM 0 H GLU A 104 3.473 -11.695 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 104 2.934 -14.197 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.067 -13.018 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.623 -12.181 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.041 -10.590 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.475 -11.416 -7.268 1.00 0.00 H new ATOM 626 N GLU A 105 5.180 -15.138 -6.655 1.00 0.00 N ATOM 627 CA GLU A 105 6.392 -15.978 -6.421 1.00 0.00 C ATOM 628 C GLU A 105 7.755 -15.300 -6.396 1.00 0.00 C ATOM 629 O GLU A 105 8.689 -15.777 -5.754 1.00 0.00 O ATOM 630 CB GLU A 105 6.475 -17.156 -7.382 1.00 0.00 C ATOM 631 CG GLU A 105 5.414 -18.170 -6.940 1.00 0.00 C ATOM 632 CD GLU A 105 5.430 -19.495 -7.712 1.00 0.00 C ATOM 633 OE1 GLU A 105 4.773 -19.623 -8.760 1.00 0.00 O ATOM 634 OE2 GLU A 105 6.011 -20.450 -7.172 1.00 0.00 O ATOM 0 H GLU A 105 4.539 -15.558 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 105 6.208 -16.290 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.295 -16.831 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.469 -17.603 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.553 -18.382 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.429 -17.715 -7.048 1.00 0.00 H new ATOM 635 N ASN A 106 7.880 -14.187 -7.111 1.00 0.00 N ATOM 636 CA ASN A 106 9.078 -13.329 -7.030 1.00 0.00 C ATOM 637 C ASN A 106 9.155 -12.492 -5.731 1.00 0.00 C ATOM 638 O ASN A 106 9.701 -11.385 -5.716 1.00 0.00 O ATOM 639 CB ASN A 106 9.187 -12.488 -8.300 1.00 0.00 C ATOM 640 CG ASN A 106 7.883 -11.868 -8.810 1.00 0.00 C ATOM 641 OD1 ASN A 106 6.971 -12.534 -9.274 1.00 0.00 O ATOM 642 ND2 ASN A 106 7.836 -10.555 -8.733 1.00 0.00 N ATOM 0 H ASN A 106 7.168 -13.849 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 106 9.953 -13.976 -6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.901 -11.685 -8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.602 -13.113 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.014 -10.054 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.622 -10.039 -8.337 1.00 0.00 H new ATOM 643 N HIS A 107 8.802 -13.188 -4.656 1.00 0.00 N ATOM 644 CA HIS A 107 8.664 -12.799 -3.239 1.00 0.00 C ATOM 645 C HIS A 107 7.720 -11.620 -2.961 1.00 0.00 C ATOM 646 O HIS A 107 6.953 -11.614 -2.004 1.00 0.00 O ATOM 647 CB HIS A 107 10.073 -12.563 -2.687 1.00 0.00 C ATOM 648 CG HIS A 107 10.144 -12.632 -1.156 1.00 0.00 C ATOM 649 ND1 HIS A 107 9.140 -12.417 -0.308 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.211 -12.889 -0.424 1.00 0.00 C ATOM 651 CE1 HIS A 107 9.577 -12.518 0.936 1.00 0.00 C ATOM 652 NE2 HIS A 107 10.860 -12.830 0.854 1.00 0.00 N ATOM 0 H HIS A 107 8.572 -14.176 -4.764 1.00 0.00 H new ATOM 0 HA HIS A 107 8.168 -13.618 -2.718 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.750 -13.306 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.426 -11.586 -3.017 1.00 0.00 H new ATOM 0 HD1 HIS A 107 8.179 -12.206 -0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.199 -13.109 -0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.002 -12.374 1.839 1.00 0.00 H new ATOM 653 N TYR A 108 7.778 -10.676 -3.886 1.00 0.00 N ATOM 654 CA TYR A 108 7.014 -9.429 -3.885 1.00 0.00 C ATOM 655 C TYR A 108 5.499 -9.583 -3.831 1.00 0.00 C ATOM 656 O TYR A 108 4.848 -10.388 -4.498 1.00 0.00 O ATOM 657 CB TYR A 108 7.363 -8.559 -5.094 1.00 0.00 C ATOM 658 CG TYR A 108 8.725 -7.903 -4.935 1.00 0.00 C ATOM 659 CD1 TYR A 108 8.916 -7.056 -3.814 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.797 -8.348 -5.736 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.208 -6.672 -3.463 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.098 -7.948 -5.389 1.00 0.00 C ATOM 663 CZ TYR A 108 11.281 -7.118 -4.264 1.00 0.00 C ATOM 664 OH TYR A 108 12.544 -6.704 -3.988 1.00 0.00 O ATOM 0 H TYR A 108 8.388 -10.758 -4.700 1.00 0.00 H new ATOM 0 HA TYR A 108 7.315 -8.953 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.355 -9.170 -5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.601 -7.790 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.069 -6.712 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.622 -8.980 -6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.384 -6.048 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.945 -8.271 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 108 12.549 -6.212 -3.140 1.00 0.00 H new ATOM 665 N ASN A 109 4.978 -8.619 -3.101 1.00 0.00 N ATOM 666 CA ASN A 109 3.536 -8.466 -2.874 1.00 0.00 C ATOM 667 C ASN A 109 3.093 -7.157 -3.516 1.00 0.00 C ATOM 668 O ASN A 109 3.795 -6.141 -3.453 1.00 0.00 O ATOM 669 CB ASN A 109 3.271 -8.453 -1.381 1.00 0.00 C ATOM 670 CG ASN A 109 1.803 -8.588 -0.983 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.867 -8.148 -1.635 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.572 -9.112 0.199 1.00 0.00 N ATOM 0 H ASN A 109 5.541 -7.906 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 109 2.977 -9.291 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.832 -9.266 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.660 -7.523 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.620 -9.149 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.345 -9.482 0.752 1.00 0.00 H new ATOM 673 N THR A 110 2.049 -7.321 -4.310 1.00 0.00 N ATOM 674 CA THR A 110 1.444 -6.228 -5.083 1.00 0.00 C ATOM 675 C THR A 110 -0.058 -6.223 -4.837 1.00 0.00 C ATOM 676 O THR A 110 -0.629 -7.261 -4.542 1.00 0.00 O ATOM 677 CB THR A 110 1.710 -6.362 -6.598 1.00 0.00 C ATOM 678 OG1 THR A 110 0.914 -7.418 -7.182 1.00 0.00 O ATOM 679 CG2 THR A 110 3.193 -6.539 -6.922 1.00 0.00 C ATOM 0 H THR A 110 1.587 -8.220 -4.444 1.00 0.00 H new ATOM 0 HA THR A 110 1.898 -5.294 -4.752 1.00 0.00 H new ATOM 0 HB THR A 110 1.403 -5.419 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.093 -8.260 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.322 -6.628 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.750 -5.675 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.566 -7.441 -6.436 1.00 0.00 H new ATOM 680 N TYR A 111 -0.659 -5.043 -4.859 1.00 0.00 N ATOM 681 CA TYR A 111 -2.085 -4.883 -4.528 1.00 0.00 C ATOM 682 C TYR A 111 -2.791 -4.073 -5.617 1.00 0.00 C ATOM 683 O TYR A 111 -2.427 -2.935 -5.892 1.00 0.00 O ATOM 684 CB TYR A 111 -2.303 -4.143 -3.209 1.00 0.00 C ATOM 685 CG TYR A 111 -1.549 -4.705 -2.002 1.00 0.00 C ATOM 686 CD1 TYR A 111 -0.158 -4.491 -1.886 1.00 0.00 C ATOM 687 CD2 TYR A 111 -2.289 -5.403 -1.040 1.00 0.00 C ATOM 688 CE1 TYR A 111 0.528 -5.043 -0.780 1.00 0.00 C ATOM 689 CE2 TYR A 111 -1.611 -5.951 0.071 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.214 -5.778 0.173 1.00 0.00 C ATOM 691 OH TYR A 111 0.427 -6.362 1.202 1.00 0.00 O ATOM 0 H TYR A 111 -0.187 -4.172 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.491 -5.891 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -2.010 -3.102 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.369 -4.147 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.373 -3.915 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -3.357 -5.520 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.593 -4.907 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.153 -6.494 0.831 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.222 -6.829 1.769 1.00 0.00 H new ATOM 692 N ILE A 112 -3.845 -4.680 -6.136 1.00 0.00 N ATOM 693 CA ILE A 112 -4.734 -4.023 -7.112 1.00 0.00 C ATOM 694 C ILE A 112 -5.957 -3.540 -6.328 1.00 0.00 C ATOM 695 O ILE A 112 -6.690 -4.322 -5.723 1.00 0.00 O ATOM 696 CB ILE A 112 -5.221 -4.990 -8.212 1.00 0.00 C ATOM 697 CG1 ILE A 112 -4.042 -5.783 -8.806 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.936 -4.203 -9.317 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.472 -7.029 -9.575 1.00 0.00 C ATOM 0 H ILE A 112 -4.117 -5.635 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.189 -3.217 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.918 -5.699 -7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.476 -5.132 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.370 -6.077 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.278 -4.891 -10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.793 -3.678 -8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.247 -3.480 -9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.591 -7.538 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.013 -7.700 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.120 -6.740 -10.402 1.00 0.00 H new ATOM 700 N SER A 113 -6.227 -2.253 -6.443 1.00 0.00 N ATOM 701 CA SER A 113 -7.473 -1.700 -5.881 1.00 0.00 C ATOM 702 C SER A 113 -8.706 -2.246 -6.614 1.00 0.00 C ATOM 703 O SER A 113 -9.025 -1.878 -7.751 1.00 0.00 O ATOM 704 CB SER A 113 -7.500 -0.175 -5.883 1.00 0.00 C ATOM 705 OG SER A 113 -8.716 0.262 -5.267 1.00 0.00 O ATOM 0 H SER A 113 -5.624 -1.574 -6.907 1.00 0.00 H new ATOM 0 HA SER A 113 -7.502 -2.025 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.639 0.219 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.436 0.203 -6.903 1.00 0.00 H new ATOM 0 HG SER A 113 -8.550 0.463 -4.322 1.00 0.00 H new ATOM 706 N LYS A 114 -9.392 -3.125 -5.887 1.00 0.00 N ATOM 707 CA LYS A 114 -10.554 -3.916 -6.307 1.00 0.00 C ATOM 708 C LYS A 114 -11.529 -3.174 -7.255 1.00 0.00 C ATOM 709 O LYS A 114 -11.746 -3.639 -8.378 1.00 0.00 O ATOM 710 CB LYS A 114 -11.267 -4.305 -5.028 1.00 0.00 C ATOM 711 CG LYS A 114 -12.378 -5.287 -5.327 1.00 0.00 C ATOM 712 CD LYS A 114 -13.310 -5.338 -4.157 1.00 0.00 C ATOM 713 CE LYS A 114 -14.192 -6.462 -4.642 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.010 -6.545 -3.459 1.00 0.00 N ATOM 0 H LYS A 114 -9.135 -3.319 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.208 -4.770 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.558 -4.748 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.677 -3.417 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.917 -4.984 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.964 -6.276 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.804 -5.568 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.854 -4.406 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.756 -6.212 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.645 -7.380 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.881 -7.071 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.486 -7.038 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.255 -5.586 -3.138 1.00 0.00 H new ATOM 715 N LYS A 115 -11.987 -1.991 -6.845 1.00 0.00 N ATOM 716 CA LYS A 115 -12.874 -1.127 -7.636 1.00 0.00 C ATOM 717 C LYS A 115 -12.326 -0.851 -9.057 1.00 0.00 C ATOM 718 O LYS A 115 -12.963 -1.193 -10.046 1.00 0.00 O ATOM 719 CB LYS A 115 -13.009 0.139 -6.795 1.00 0.00 C ATOM 720 CG LYS A 115 -13.754 1.300 -7.446 1.00 0.00 C ATOM 721 CD LYS A 115 -13.768 2.462 -6.451 1.00 0.00 C ATOM 722 CE LYS A 115 -13.473 3.815 -7.105 1.00 0.00 C ATOM 723 NZ LYS A 115 -12.070 3.814 -7.537 1.00 0.00 N ATOM 0 H LYS A 115 -11.749 -1.595 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.840 -1.594 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.519 -0.118 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.009 0.480 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.264 1.597 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -14.771 1.005 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.743 2.505 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.031 2.274 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.134 3.979 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -13.654 4.626 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.987 4.309 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.487 4.299 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.740 2.833 -7.644 1.00 0.00 H new ATOM 724 N HIS A 116 -11.072 -0.414 -9.154 1.00 0.00 N ATOM 725 CA HIS A 116 -10.491 -0.154 -10.480 1.00 0.00 C ATOM 726 C HIS A 116 -9.575 -1.286 -10.989 1.00 0.00 C ATOM 727 O HIS A 116 -8.589 -1.047 -11.677 1.00 0.00 O ATOM 728 CB HIS A 116 -9.814 1.215 -10.486 1.00 0.00 C ATOM 729 CG HIS A 116 -10.809 2.382 -10.540 1.00 0.00 C ATOM 730 ND1 HIS A 116 -12.117 2.348 -10.775 1.00 0.00 N ATOM 731 CD2 HIS A 116 -10.416 3.647 -10.574 1.00 0.00 C ATOM 732 CE1 HIS A 116 -12.542 3.595 -10.948 1.00 0.00 C ATOM 733 NE2 HIS A 116 -11.486 4.394 -10.843 1.00 0.00 N ATOM 0 H HIS A 116 -10.453 -0.236 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.308 -0.136 -11.202 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -9.198 1.312 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -9.144 1.278 -11.343 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -12.695 1.509 -10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.411 4.007 -10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -13.560 3.903 -11.139 1.00 0.00 H new ATOM 734 N ALA A 117 -10.063 -2.505 -10.786 1.00 0.00 N ATOM 735 CA ALA A 117 -9.380 -3.757 -11.193 1.00 0.00 C ATOM 736 C ALA A 117 -9.128 -3.939 -12.700 1.00 0.00 C ATOM 737 O ALA A 117 -8.155 -4.530 -13.141 1.00 0.00 O ATOM 738 CB ALA A 117 -10.226 -4.936 -10.696 1.00 0.00 C ATOM 0 H ALA A 117 -10.959 -2.668 -10.327 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.387 -3.707 -10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.748 -5.873 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.313 -4.889 -9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.219 -4.885 -11.143 1.00 0.00 H new ATOM 739 N GLU A 118 -10.034 -3.333 -13.457 1.00 0.00 N ATOM 740 CA GLU A 118 -10.046 -3.336 -14.927 1.00 0.00 C ATOM 741 C GLU A 118 -9.236 -2.223 -15.572 1.00 0.00 C ATOM 742 O GLU A 118 -8.675 -2.362 -16.651 1.00 0.00 O ATOM 743 CB GLU A 118 -11.497 -3.313 -15.405 1.00 0.00 C ATOM 744 CG GLU A 118 -12.111 -4.716 -15.274 1.00 0.00 C ATOM 745 CD GLU A 118 -11.636 -5.655 -16.404 1.00 0.00 C ATOM 746 OE1 GLU A 118 -12.343 -5.739 -17.428 1.00 0.00 O ATOM 747 OE2 GLU A 118 -10.667 -6.408 -16.231 1.00 0.00 O ATOM 0 H GLU A 118 -10.810 -2.806 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.547 -4.251 -15.248 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.072 -2.598 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.542 -2.982 -16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.840 -5.143 -14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.198 -4.641 -15.296 1.00 0.00 H new ATOM 748 N LYS A 119 -9.170 -1.122 -14.837 1.00 0.00 N ATOM 749 CA LYS A 119 -8.210 -0.030 -15.088 1.00 0.00 C ATOM 750 C LYS A 119 -6.807 -0.386 -14.562 1.00 0.00 C ATOM 751 O LYS A 119 -5.864 0.363 -14.790 1.00 0.00 O ATOM 752 CB LYS A 119 -8.839 1.166 -14.385 1.00 0.00 C ATOM 753 CG LYS A 119 -8.653 2.475 -15.154 1.00 0.00 C ATOM 754 CD LYS A 119 -9.374 3.575 -14.383 1.00 0.00 C ATOM 755 CE LYS A 119 -9.065 4.909 -15.033 1.00 0.00 C ATOM 756 NZ LYS A 119 -9.723 5.966 -14.260 1.00 0.00 N ATOM 0 H LYS A 119 -9.782 -0.950 -14.040 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.044 0.172 -16.146 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.904 0.980 -14.246 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.401 1.269 -13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.594 2.711 -15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.058 2.387 -16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.449 3.394 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.053 3.579 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.988 5.076 -15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.417 4.919 -16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.521 6.890 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.750 5.804 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.365 5.956 -13.283 1.00 0.00 H new ATOM 757 N ASN A 120 -6.675 -1.588 -13.992 1.00 0.00 N ATOM 758 CA ASN A 120 -5.461 -2.113 -13.340 1.00 0.00 C ATOM 759 C ASN A 120 -4.769 -1.122 -12.406 1.00 0.00 C ATOM 760 O ASN A 120 -3.546 -0.961 -12.387 1.00 0.00 O ATOM 761 CB ASN A 120 -4.488 -2.607 -14.393 1.00 0.00 C ATOM 762 CG ASN A 120 -5.006 -3.860 -15.097 1.00 0.00 C ATOM 763 OD1 ASN A 120 -4.754 -4.994 -14.741 1.00 0.00 O ATOM 764 ND2 ASN A 120 -5.763 -3.624 -16.144 1.00 0.00 N ATOM 0 H ASN A 120 -7.445 -2.256 -13.969 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.790 -2.935 -12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.317 -1.821 -15.128 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.526 -2.822 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.153 -4.401 -16.677 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.961 -2.663 -16.424 1.00 0.00 H new ATOM 765 N TRP A 121 -5.602 -0.495 -11.589 1.00 0.00 N ATOM 766 CA TRP A 121 -5.079 0.457 -10.607 1.00 0.00 C ATOM 767 C TRP A 121 -4.446 -0.283 -9.440 1.00 0.00 C ATOM 768 O TRP A 121 -5.088 -0.736 -8.493 1.00 0.00 O ATOM 769 CB TRP A 121 -6.090 1.532 -10.196 1.00 0.00 C ATOM 770 CG TRP A 121 -6.231 2.638 -11.249 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.957 2.542 -12.556 1.00 0.00 C ATOM 772 CD2 TRP A 121 -6.419 3.982 -10.971 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.958 3.746 -13.122 1.00 0.00 N ATOM 774 CE2 TRP A 121 -6.231 4.646 -12.189 1.00 0.00 C ATOM 775 CE3 TRP A 121 -6.595 4.716 -9.772 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -6.197 6.039 -12.263 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.610 6.120 -9.856 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.463 6.789 -11.087 1.00 0.00 C ATOM 0 H TRP A 121 -6.614 -0.619 -11.580 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.287 1.031 -11.089 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -7.062 1.068 -10.029 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.781 1.974 -9.249 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.762 1.617 -13.078 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.779 3.943 -14.107 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.714 4.213 -8.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.973 6.536 -13.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.737 6.700 -8.954 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.552 7.864 -11.136 1.00 0.00 H new ATOM 779 N PHE A 122 -3.136 -0.160 -9.483 1.00 0.00 N ATOM 780 CA PHE A 122 -2.210 -0.857 -8.591 1.00 0.00 C ATOM 781 C PHE A 122 -1.622 0.172 -7.630 1.00 0.00 C ATOM 782 O PHE A 122 -1.551 1.367 -7.952 1.00 0.00 O ATOM 783 CB PHE A 122 -1.089 -1.463 -9.425 1.00 0.00 C ATOM 784 CG PHE A 122 -1.319 -2.920 -9.811 1.00 0.00 C ATOM 785 CD1 PHE A 122 -1.831 -3.229 -11.093 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.684 -3.911 -9.031 1.00 0.00 C ATOM 787 CE1 PHE A 122 -1.669 -4.522 -11.626 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.509 -5.209 -9.558 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.988 -5.493 -10.856 1.00 0.00 C ATOM 0 H PHE A 122 -2.664 0.444 -10.156 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.721 -1.645 -8.039 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.966 -0.873 -10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -0.155 -1.389 -8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.347 -2.471 -11.664 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.334 -3.677 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.057 -4.767 -12.604 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.016 -5.974 -8.977 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.830 -6.477 -11.271 1.00 0.00 H new ATOM 790 N VAL A 123 -1.266 -0.309 -6.454 1.00 0.00 N ATOM 791 CA VAL A 123 -0.743 0.583 -5.393 1.00 0.00 C ATOM 792 C VAL A 123 0.762 0.463 -5.184 1.00 0.00 C ATOM 793 O VAL A 123 1.314 -0.620 -5.018 1.00 0.00 O ATOM 794 CB VAL A 123 -1.528 0.499 -4.059 1.00 0.00 C ATOM 795 CG1 VAL A 123 -3.022 0.757 -4.296 1.00 0.00 C ATOM 796 CG2 VAL A 123 -1.342 -0.801 -3.271 1.00 0.00 C ATOM 0 H VAL A 123 -1.321 -1.294 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.918 1.588 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.096 1.281 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.557 0.694 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.156 1.751 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.415 0.010 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.932 -0.759 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.672 -1.644 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.289 -0.926 -3.018 1.00 0.00 H new ATOM 797 N GLY A 124 1.371 1.642 -5.211 1.00 0.00 N ATOM 798 CA GLY A 124 2.825 1.794 -5.258 1.00 0.00 C ATOM 799 C GLY A 124 3.260 3.222 -4.937 1.00 0.00 C ATOM 800 O GLY A 124 2.448 4.136 -4.754 1.00 0.00 O ATOM 0 H GLY A 124 0.868 2.529 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.285 1.106 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.187 1.519 -6.249 1.00 0.00 H new ATOM 801 N LEU A 125 4.565 3.319 -4.823 1.00 0.00 N ATOM 802 CA LEU A 125 5.268 4.584 -4.552 1.00 0.00 C ATOM 803 C LEU A 125 6.124 5.082 -5.702 1.00 0.00 C ATOM 804 O LEU A 125 6.872 4.374 -6.377 1.00 0.00 O ATOM 805 CB LEU A 125 6.179 4.446 -3.313 1.00 0.00 C ATOM 806 CG LEU A 125 5.398 4.307 -2.003 1.00 0.00 C ATOM 807 CD1 LEU A 125 5.834 3.089 -1.203 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.671 5.549 -1.158 1.00 0.00 C ATOM 0 H LEU A 125 5.190 2.518 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 125 4.474 5.312 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.823 3.576 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.830 5.318 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 125 4.341 4.195 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.253 3.031 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.669 2.188 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.893 3.174 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.126 5.476 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.739 5.622 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.343 6.437 -1.699 1.00 0.00 H new ATOM 809 N LYS A 126 6.011 6.389 -5.781 1.00 0.00 N ATOM 810 CA LYS A 126 6.897 7.284 -6.539 1.00 0.00 C ATOM 811 C LYS A 126 8.161 7.385 -5.683 1.00 0.00 C ATOM 812 O LYS A 126 8.129 7.485 -4.459 1.00 0.00 O ATOM 813 CB LYS A 126 6.201 8.649 -6.660 1.00 0.00 C ATOM 814 CG LYS A 126 7.032 9.672 -7.436 1.00 0.00 C ATOM 815 CD LYS A 126 6.487 11.082 -7.165 1.00 0.00 C ATOM 816 CE LYS A 126 7.062 12.148 -8.107 1.00 0.00 C ATOM 817 NZ LYS A 126 8.508 12.250 -7.916 1.00 0.00 N ATOM 0 H LYS A 126 5.267 6.894 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 126 7.129 6.935 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 126 5.239 8.518 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.996 9.037 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.078 9.610 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.993 9.454 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.401 11.069 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.711 11.359 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.840 11.889 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.591 13.111 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.936 12.713 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.707 12.812 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.912 11.298 -7.805 1.00 0.00 H new ATOM 818 N LYS A 127 9.226 7.286 -6.451 1.00 0.00 N ATOM 819 CA LYS A 127 10.644 7.284 -6.046 1.00 0.00 C ATOM 820 C LYS A 127 10.979 8.325 -4.962 1.00 0.00 C ATOM 821 O LYS A 127 11.633 8.025 -3.965 1.00 0.00 O ATOM 822 CB LYS A 127 11.402 7.541 -7.346 1.00 0.00 C ATOM 823 CG LYS A 127 12.918 7.563 -7.144 1.00 0.00 C ATOM 824 CD LYS A 127 13.619 8.307 -8.276 1.00 0.00 C ATOM 825 CE LYS A 127 13.305 9.819 -8.273 1.00 0.00 C ATOM 826 NZ LYS A 127 13.862 10.392 -7.037 1.00 0.00 N ATOM 0 H LYS A 127 9.130 7.197 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 127 10.920 6.341 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.146 6.768 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.081 8.493 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.153 8.040 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.294 6.541 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.696 8.163 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 127 13.316 7.878 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.741 10.301 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 127 12.229 9.986 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 13.958 11.422 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 13.226 10.185 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.796 9.975 -6.851 1.00 0.00 H new ATOM 827 N ASN A 128 10.361 9.478 -5.120 1.00 0.00 N ATOM 828 CA ASN A 128 10.390 10.628 -4.179 1.00 0.00 C ATOM 829 C ASN A 128 9.638 10.399 -2.849 1.00 0.00 C ATOM 830 O ASN A 128 9.025 11.312 -2.273 1.00 0.00 O ATOM 831 CB ASN A 128 9.735 11.764 -4.928 1.00 0.00 C ATOM 832 CG ASN A 128 10.694 12.945 -5.057 1.00 0.00 C ATOM 833 OD1 ASN A 128 11.686 12.981 -5.758 1.00 0.00 O ATOM 834 ND2 ASN A 128 10.388 13.987 -4.354 1.00 0.00 N ATOM 0 H ASN A 128 9.790 9.669 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 128 11.423 10.814 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.430 11.426 -5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.831 12.078 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 128 10.976 14.820 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.559 13.976 -3.760 1.00 0.00 H new ATOM 835 N GLY A 129 9.633 9.150 -2.424 1.00 0.00 N ATOM 836 CA GLY A 129 8.978 8.621 -1.215 1.00 0.00 C ATOM 837 C GLY A 129 7.507 9.064 -1.088 1.00 0.00 C ATOM 838 O GLY A 129 7.078 9.363 0.026 1.00 0.00 O ATOM 0 H GLY A 129 10.117 8.417 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.024 7.532 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.529 8.952 -0.335 1.00 0.00 H new ATOM 839 N SER A 130 6.753 8.975 -2.178 1.00 0.00 N ATOM 840 CA SER A 130 5.357 9.471 -2.232 1.00 0.00 C ATOM 841 C SER A 130 4.437 8.382 -2.789 1.00 0.00 C ATOM 842 O SER A 130 4.798 7.697 -3.744 1.00 0.00 O ATOM 843 CB SER A 130 5.272 10.667 -3.179 1.00 0.00 C ATOM 844 OG SER A 130 6.039 11.770 -2.693 1.00 0.00 O ATOM 0 H SER A 130 7.078 8.561 -3.052 1.00 0.00 H new ATOM 0 HA SER A 130 5.054 9.751 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.632 10.378 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.231 10.968 -3.295 1.00 0.00 H new ATOM 0 HG SER A 130 6.973 11.496 -2.583 1.00 0.00 H new ATOM 845 N CYS A 131 3.258 8.203 -2.208 1.00 0.00 N ATOM 846 CA CYS A 131 2.303 7.177 -2.682 1.00 0.00 C ATOM 847 C CYS A 131 1.436 7.578 -3.888 1.00 0.00 C ATOM 848 O CYS A 131 0.201 7.508 -3.892 1.00 0.00 O ATOM 849 CB CYS A 131 1.425 6.660 -1.555 1.00 0.00 C ATOM 850 SG CYS A 131 2.271 5.566 -0.353 1.00 0.00 S ATOM 0 H CYS A 131 2.929 8.746 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 131 2.949 6.377 -3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.010 7.513 -1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.585 6.117 -1.989 1.00 0.00 H new ATOM 0 HG CYS A 131 1.390 5.022 0.434 1.00 0.00 H new ATOM 851 N LYS A 132 2.200 7.816 -4.936 1.00 0.00 N ATOM 852 CA LYS A 132 1.788 8.185 -6.295 1.00 0.00 C ATOM 853 C LYS A 132 1.747 6.931 -7.173 1.00 0.00 C ATOM 854 O LYS A 132 2.754 6.307 -7.497 1.00 0.00 O ATOM 855 CB LYS A 132 2.756 9.255 -6.793 1.00 0.00 C ATOM 856 CG LYS A 132 2.308 10.002 -8.061 1.00 0.00 C ATOM 857 CD LYS A 132 2.399 9.153 -9.340 1.00 0.00 C ATOM 858 CE LYS A 132 3.864 8.873 -9.699 1.00 0.00 C ATOM 859 NZ LYS A 132 4.353 10.068 -10.401 1.00 0.00 N ATOM 0 H LYS A 132 3.215 7.753 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 132 0.782 8.603 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 132 2.909 9.983 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.721 8.787 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 132 1.279 10.338 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 132 2.922 10.894 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.868 8.212 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 132 1.910 9.673 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 132 4.454 8.680 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.947 7.989 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.631 9.812 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 3.599 10.784 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 5.175 10.455 -9.896 1.00 0.00 H new ATOM 860 N ARG A 133 0.528 6.426 -7.181 1.00 0.00 N ATOM 861 CA ARG A 133 0.138 5.241 -7.947 1.00 0.00 C ATOM 862 C ARG A 133 -0.829 5.519 -9.116 1.00 0.00 C ATOM 863 O ARG A 133 -0.415 6.042 -10.153 1.00 0.00 O ATOM 864 CB ARG A 133 -0.254 4.128 -6.960 1.00 0.00 C ATOM 865 CG ARG A 133 -0.894 4.503 -5.612 1.00 0.00 C ATOM 866 CD ARG A 133 -2.416 4.628 -5.702 1.00 0.00 C ATOM 867 NE ARG A 133 -3.006 3.343 -6.138 1.00 0.00 N ATOM 868 CZ ARG A 133 -4.156 3.181 -6.781 1.00 0.00 C ATOM 869 NH1 ARG A 133 -4.865 4.201 -7.193 1.00 0.00 N ATOM 870 NH2 ARG A 133 -4.683 1.978 -6.949 1.00 0.00 N ATOM 0 H ARG A 133 -0.240 6.831 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 133 0.993 4.871 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -0.946 3.462 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.645 3.550 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.638 3.748 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.475 5.447 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.823 4.914 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.683 5.417 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.477 2.498 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -4.538 5.152 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -5.745 4.045 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -4.204 1.156 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -5.568 1.874 -7.446 1.00 0.00 H new ATOM 871 N GLY A 134 -2.059 5.054 -8.985 1.00 0.00 N ATOM 872 CA GLY A 134 -3.127 5.194 -9.993 1.00 0.00 C ATOM 873 C GLY A 134 -2.841 4.408 -11.267 1.00 0.00 C ATOM 874 O GLY A 134 -2.707 3.181 -11.198 1.00 0.00 O ATOM 0 H GLY A 134 -2.364 4.551 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.071 4.855 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.250 6.248 -10.241 1.00 0.00 H new ATOM 875 N PRO A 135 -2.721 5.132 -12.386 1.00 0.00 N ATOM 876 CA PRO A 135 -2.767 4.517 -13.701 1.00 0.00 C ATOM 877 C PRO A 135 -1.408 4.009 -14.218 1.00 0.00 C ATOM 878 O PRO A 135 -1.350 3.218 -15.160 1.00 0.00 O ATOM 879 CB PRO A 135 -3.365 5.583 -14.611 1.00 0.00 C ATOM 880 CG PRO A 135 -2.898 6.897 -13.993 1.00 0.00 C ATOM 881 CD PRO A 135 -2.635 6.602 -12.508 1.00 0.00 C ATOM 0 HA PRO A 135 -3.366 3.607 -13.669 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.012 5.476 -15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.453 5.519 -14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.995 7.259 -14.484 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.656 7.672 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.654 6.966 -12.201 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.371 7.094 -11.872 1.00 0.00 H new ATOM 882 N ARG A 136 -0.327 4.400 -13.543 1.00 0.00 N ATOM 883 CA ARG A 136 1.041 4.015 -13.965 1.00 0.00 C ATOM 884 C ARG A 136 1.733 2.829 -13.289 1.00 0.00 C ATOM 885 O ARG A 136 2.661 2.250 -13.864 1.00 0.00 O ATOM 886 CB ARG A 136 1.937 5.266 -13.943 1.00 0.00 C ATOM 887 CG ARG A 136 1.844 6.145 -12.685 1.00 0.00 C ATOM 888 CD ARG A 136 2.448 5.512 -11.427 1.00 0.00 C ATOM 889 NE ARG A 136 3.896 5.403 -11.647 1.00 0.00 N ATOM 890 CZ ARG A 136 4.852 5.203 -10.740 1.00 0.00 C ATOM 891 NH1 ARG A 136 4.564 4.828 -9.499 1.00 0.00 N ATOM 892 NH2 ARG A 136 6.126 5.214 -11.109 1.00 0.00 N ATOM 0 H ARG A 136 -0.360 4.980 -12.705 1.00 0.00 H new ATOM 0 HA ARG A 136 0.890 3.612 -14.967 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.973 4.948 -14.063 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.690 5.880 -14.809 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.349 7.091 -12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.796 6.376 -12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.237 6.124 -10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.012 4.530 -11.243 1.00 0.00 H new ATOM 0 HE ARG A 136 4.209 5.491 -12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.593 4.687 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 136 5.314 4.681 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.373 5.375 -12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.859 5.061 -10.416 1.00 0.00 H new ATOM 893 N THR A 137 1.212 2.413 -12.135 1.00 0.00 N ATOM 894 CA THR A 137 1.890 1.530 -11.165 1.00 0.00 C ATOM 895 C THR A 137 2.097 0.055 -11.551 1.00 0.00 C ATOM 896 O THR A 137 2.940 -0.602 -10.941 1.00 0.00 O ATOM 897 CB THR A 137 1.134 1.556 -9.836 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.130 2.208 -10.010 1.00 0.00 O ATOM 899 CG2 THR A 137 1.932 2.186 -8.706 1.00 0.00 C ATOM 0 H THR A 137 0.277 2.686 -11.833 1.00 0.00 H new ATOM 0 HA THR A 137 2.894 1.951 -11.118 1.00 0.00 H new ATOM 0 HB THR A 137 0.967 0.521 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.801 1.779 -9.438 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.340 2.174 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 137 2.851 1.621 -8.551 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.178 3.216 -8.965 1.00 0.00 H new ATOM 900 N HIS A 138 1.214 -0.467 -12.386 1.00 0.00 N ATOM 901 CA HIS A 138 1.209 -1.858 -12.871 1.00 0.00 C ATOM 902 C HIS A 138 2.573 -2.438 -13.255 1.00 0.00 C ATOM 903 O HIS A 138 3.593 -1.782 -13.465 1.00 0.00 O ATOM 904 CB HIS A 138 0.172 -1.969 -13.990 1.00 0.00 C ATOM 905 CG HIS A 138 0.414 -0.924 -15.094 1.00 0.00 C ATOM 906 ND1 HIS A 138 1.436 -0.952 -15.941 1.00 0.00 N ATOM 907 CD2 HIS A 138 -0.272 0.196 -15.295 1.00 0.00 C ATOM 908 CE1 HIS A 138 1.393 0.150 -16.674 1.00 0.00 C ATOM 909 NE2 HIS A 138 0.343 0.850 -16.275 1.00 0.00 N ATOM 0 H HIS A 138 0.443 0.082 -12.767 1.00 0.00 H new ATOM 0 HA HIS A 138 0.930 -2.493 -12.030 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.207 -2.969 -14.421 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.827 -1.836 -13.575 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -1.158 0.513 -14.765 1.00 0.00 H new ATOM 0 HE1 HIS A 138 2.087 0.427 -17.454 1.00 0.00 H new ATOM 0 HE2 HIS A 138 0.052 1.749 -16.659 1.00 0.00 H new ATOM 910 N TYR A 139 2.514 -3.759 -13.170 1.00 0.00 N ATOM 911 CA TYR A 139 3.653 -4.654 -13.256 1.00 0.00 C ATOM 912 C TYR A 139 4.493 -4.427 -14.506 1.00 0.00 C ATOM 913 O TYR A 139 4.018 -4.153 -15.601 1.00 0.00 O ATOM 914 CB TYR A 139 3.120 -6.067 -13.130 1.00 0.00 C ATOM 915 CG TYR A 139 4.168 -7.061 -12.660 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.993 -6.782 -11.539 1.00 0.00 C ATOM 917 CD2 TYR A 139 4.285 -8.264 -13.382 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.964 -7.713 -11.154 1.00 0.00 C ATOM 919 CE2 TYR A 139 5.258 -9.208 -12.998 1.00 0.00 C ATOM 920 CZ TYR A 139 6.081 -8.907 -11.888 1.00 0.00 C ATOM 921 OH TYR A 139 7.028 -9.806 -11.514 1.00 0.00 O ATOM 0 H TYR A 139 1.633 -4.255 -13.034 1.00 0.00 H new ATOM 0 HA TYR A 139 4.353 -4.455 -12.445 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.284 -6.072 -12.431 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.730 -6.389 -14.096 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.872 -5.860 -10.989 1.00 0.00 H new ATOM 0 HD2 TYR A 139 3.635 -8.461 -14.222 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.610 -7.519 -10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 139 5.372 -10.137 -13.537 1.00 0.00 H new ATOM 0 HH TYR A 139 6.994 -10.584 -12.109 1.00 0.00 H new ATOM 922 N GLY A 140 5.764 -4.545 -14.173 1.00 0.00 N ATOM 923 CA GLY A 140 6.884 -3.966 -14.929 1.00 0.00 C ATOM 924 C GLY A 140 7.606 -2.915 -14.066 1.00 0.00 C ATOM 925 O GLY A 140 8.785 -3.052 -13.767 1.00 0.00 O ATOM 0 H GLY A 140 6.066 -5.060 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.581 -4.751 -15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 140 6.517 -3.507 -15.847 1.00 0.00 H new ATOM 926 N GLN A 141 6.794 -2.046 -13.472 1.00 0.00 N ATOM 927 CA GLN A 141 7.248 -0.942 -12.624 1.00 0.00 C ATOM 928 C GLN A 141 7.395 -1.408 -11.181 1.00 0.00 C ATOM 929 O GLN A 141 6.459 -1.852 -10.515 1.00 0.00 O ATOM 930 CB GLN A 141 6.261 0.219 -12.682 1.00 0.00 C ATOM 931 CG GLN A 141 6.487 1.146 -13.876 1.00 0.00 C ATOM 932 CD GLN A 141 6.111 0.489 -15.209 1.00 0.00 C ATOM 933 OE1 GLN A 141 6.945 0.095 -16.018 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.834 0.469 -15.504 1.00 0.00 N ATOM 0 H GLN A 141 5.779 -2.088 -13.567 1.00 0.00 H new ATOM 0 HA GLN A 141 8.216 -0.606 -12.995 1.00 0.00 H new ATOM 0 HB2 GLN A 141 5.247 -0.177 -12.726 1.00 0.00 H new ATOM 0 HB3 GLN A 141 6.338 0.798 -11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 141 5.899 2.054 -13.743 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.534 1.446 -13.905 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.148 0.799 -14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 141 4.526 0.124 -16.413 1.00 0.00 H new ATOM 935 N LYS A 142 8.630 -1.239 -10.745 1.00 0.00 N ATOM 936 CA LYS A 142 9.070 -1.371 -9.347 1.00 0.00 C ATOM 937 C LYS A 142 8.207 -0.611 -8.339 1.00 0.00 C ATOM 938 O LYS A 142 8.128 -1.035 -7.187 1.00 0.00 O ATOM 939 CB LYS A 142 10.570 -1.008 -9.285 1.00 0.00 C ATOM 940 CG LYS A 142 10.909 0.485 -9.307 1.00 0.00 C ATOM 941 CD LYS A 142 10.536 1.173 -10.609 1.00 0.00 C ATOM 942 CE LYS A 142 10.314 2.645 -10.306 1.00 0.00 C ATOM 943 NZ LYS A 142 10.045 3.228 -11.625 1.00 0.00 N ATOM 0 H LYS A 142 9.395 -0.995 -11.374 1.00 0.00 H new ATOM 0 HA LYS A 142 8.934 -2.405 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 142 10.989 -1.440 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.072 -1.485 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 142 10.393 0.979 -8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.978 0.609 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.328 1.050 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.635 0.729 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.477 2.793 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.190 3.095 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.877 4.249 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.863 3.071 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 9.204 2.778 -12.039 1.00 0.00 H new ATOM 944 N ALA A 143 7.456 0.358 -8.852 1.00 0.00 N ATOM 945 CA ALA A 143 6.362 1.083 -8.176 1.00 0.00 C ATOM 946 C ALA A 143 5.554 0.186 -7.224 1.00 0.00 C ATOM 947 O ALA A 143 5.434 0.504 -6.048 1.00 0.00 O ATOM 948 CB ALA A 143 5.424 1.649 -9.239 1.00 0.00 C ATOM 0 H ALA A 143 7.595 0.685 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 143 6.810 1.874 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 143 4.609 2.188 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.976 2.330 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.016 0.833 -9.835 1.00 0.00 H new ATOM 949 N ILE A 144 5.233 -1.014 -7.690 1.00 0.00 N ATOM 950 CA ILE A 144 4.361 -1.950 -6.928 1.00 0.00 C ATOM 951 C ILE A 144 5.085 -3.039 -6.124 1.00 0.00 C ATOM 952 O ILE A 144 4.463 -3.795 -5.373 1.00 0.00 O ATOM 953 CB ILE A 144 3.310 -2.601 -7.837 1.00 0.00 C ATOM 954 CG1 ILE A 144 3.899 -3.209 -9.114 1.00 0.00 C ATOM 955 CG2 ILE A 144 2.206 -1.560 -8.059 1.00 0.00 C ATOM 956 CD1 ILE A 144 2.945 -4.210 -9.755 1.00 0.00 C ATOM 0 H ILE A 144 5.553 -1.378 -8.588 1.00 0.00 H new ATOM 0 HA ILE A 144 3.886 -1.306 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 144 2.876 -3.478 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.124 -2.414 -9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 144 4.842 -3.703 -8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 144 1.433 -1.981 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.768 -1.284 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 144 2.631 -0.675 -8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 144 3.399 -4.619 -10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 144 2.741 -5.019 -9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.012 -3.709 -10.013 1.00 0.00 H new ATOM 957 N LEU A 145 6.402 -3.104 -6.303 1.00 0.00 N ATOM 958 CA LEU A 145 7.244 -4.166 -5.744 1.00 0.00 C ATOM 959 C LEU A 145 7.582 -3.928 -4.277 1.00 0.00 C ATOM 960 O LEU A 145 8.607 -3.352 -3.888 1.00 0.00 O ATOM 961 CB LEU A 145 8.510 -4.309 -6.596 1.00 0.00 C ATOM 962 CG LEU A 145 8.226 -4.910 -7.974 1.00 0.00 C ATOM 963 CD1 LEU A 145 9.557 -5.034 -8.714 1.00 0.00 C ATOM 964 CD2 LEU A 145 7.558 -6.282 -7.918 1.00 0.00 C ATOM 0 H LEU A 145 6.923 -2.415 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 145 6.682 -5.100 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 145 8.973 -3.330 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.228 -4.938 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 145 7.527 -4.248 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 145 9.385 -5.461 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 145 10.009 -4.047 -8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 145 10.228 -5.682 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.387 -6.645 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 145 8.205 -6.980 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 145 6.604 -6.201 -7.396 1.00 0.00 H new ATOM 965 N PHE A 146 6.639 -4.417 -3.485 1.00 0.00 N ATOM 966 CA PHE A 146 6.660 -4.307 -2.031 1.00 0.00 C ATOM 967 C PHE A 146 6.919 -5.685 -1.443 1.00 0.00 C ATOM 968 O PHE A 146 6.474 -6.714 -1.941 1.00 0.00 O ATOM 969 CB PHE A 146 5.294 -3.826 -1.544 1.00 0.00 C ATOM 970 CG PHE A 146 4.834 -2.444 -2.024 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.655 -1.559 -2.771 1.00 0.00 C ATOM 972 CD2 PHE A 146 3.594 -2.009 -1.508 1.00 0.00 C ATOM 973 CE1 PHE A 146 5.258 -0.229 -2.970 1.00 0.00 C ATOM 974 CE2 PHE A 146 3.189 -0.674 -1.703 1.00 0.00 C ATOM 975 CZ PHE A 146 4.035 0.207 -2.418 1.00 0.00 C ATOM 0 H PHE A 146 5.821 -4.911 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 146 7.436 -3.606 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.547 -4.558 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.305 -3.820 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.587 -1.911 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 146 2.960 -2.696 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.878 0.450 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.244 -0.327 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.737 1.237 -2.544 1.00 0.00 H new ATOM 976 N LEU A 147 7.661 -5.649 -0.358 1.00 0.00 N ATOM 977 CA LEU A 147 8.151 -6.852 0.294 1.00 0.00 C ATOM 978 C LEU A 147 7.637 -6.888 1.730 1.00 0.00 C ATOM 979 O LEU A 147 8.001 -6.023 2.545 1.00 0.00 O ATOM 980 CB LEU A 147 9.680 -6.852 0.257 1.00 0.00 C ATOM 981 CG LEU A 147 10.180 -8.253 0.606 1.00 0.00 C ATOM 982 CD1 LEU A 147 10.185 -9.110 -0.654 1.00 0.00 C ATOM 983 CD2 LEU A 147 11.604 -8.228 1.174 1.00 0.00 C ATOM 0 H LEU A 147 7.945 -4.784 0.101 1.00 0.00 H new ATOM 0 HA LEU A 147 7.791 -7.741 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 147 10.034 -6.560 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.075 -6.123 0.965 1.00 0.00 H new ATOM 0 HG LEU A 147 9.511 -8.663 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 147 10.541 -10.111 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 147 9.174 -9.172 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 147 10.844 -8.661 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.920 -9.244 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 147 12.282 -7.798 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.623 -7.624 2.081 1.00 0.00 H new ATOM 984 N PRO A 148 6.644 -7.746 1.972 1.00 0.00 N ATOM 985 CA PRO A 148 5.985 -7.832 3.278 1.00 0.00 C ATOM 986 C PRO A 148 6.944 -8.441 4.309 1.00 0.00 C ATOM 987 O PRO A 148 7.561 -9.469 4.055 1.00 0.00 O ATOM 988 CB PRO A 148 4.750 -8.681 3.026 1.00 0.00 C ATOM 989 CG PRO A 148 5.111 -9.575 1.839 1.00 0.00 C ATOM 990 CD PRO A 148 6.079 -8.726 1.021 1.00 0.00 C ATOM 0 HA PRO A 148 5.702 -6.865 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.496 -9.276 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.884 -8.059 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 148 5.574 -10.506 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 148 4.228 -9.845 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 148 6.863 -9.341 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 148 5.565 -8.225 0.200 1.00 0.00 H new ATOM 991 N LEU A 149 7.183 -7.670 5.364 1.00 0.00 N ATOM 992 CA LEU A 149 7.824 -8.194 6.580 1.00 0.00 C ATOM 993 C LEU A 149 6.782 -8.304 7.705 1.00 0.00 C ATOM 994 O LEU A 149 6.825 -7.557 8.676 1.00 0.00 O ATOM 995 CB LEU A 149 8.988 -7.275 6.966 1.00 0.00 C ATOM 996 CG LEU A 149 10.123 -7.395 5.942 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.165 -6.305 6.163 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.789 -8.769 6.012 1.00 0.00 C ATOM 0 H LEU A 149 6.945 -6.679 5.409 1.00 0.00 H new ATOM 0 HA LEU A 149 8.224 -9.192 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.643 -6.242 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.355 -7.538 7.958 1.00 0.00 H new ATOM 0 HG LEU A 149 9.685 -7.273 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.961 -6.408 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.696 -5.327 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.583 -6.399 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.589 -8.823 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.203 -8.922 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 149 10.050 -9.543 5.803 1.00 0.00 H new ATOM 999 N PRO A 150 5.829 -9.229 7.584 1.00 0.00 N ATOM 1000 CA PRO A 150 4.672 -9.224 8.475 1.00 0.00 C ATOM 1001 C PRO A 150 5.027 -9.828 9.841 1.00 0.00 C ATOM 1002 O PRO A 150 5.793 -10.780 9.958 1.00 0.00 O ATOM 1003 CB PRO A 150 3.604 -9.951 7.686 1.00 0.00 C ATOM 1004 CG PRO A 150 4.366 -10.914 6.762 1.00 0.00 C ATOM 1005 CD PRO A 150 5.803 -10.413 6.697 1.00 0.00 C ATOM 0 HA PRO A 150 4.312 -8.232 8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.927 -10.493 8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.996 -9.253 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.328 -11.932 7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.918 -10.933 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.504 -11.176 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 150 6.085 -10.150 5.677 1.00 0.00 H new