USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=33 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= -0.482 K(o=0.19,f=-1.3!) USER MOD Set 1.2: A 139 TYR OH : rot 163:sc= 0.673 USER MOD Set 2.1: A 128 ASN : amide:sc= -0.723! C(o=1.2!,f=-3.9!) USER MOD Set 2.2: A 130 SER OG : rot -52:sc= 1.92 USER MOD Set 3.1: A 126 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00522) USER MOD Set 3.2: A 127 LYS NZ :NH3+ -127:sc= 0 (180deg=0) USER MOD Set 4.1: A 109 ASN : amide:sc= -0.0399 K(o=-0.04,f=-3.8!) USER MOD Set 4.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 29 TYR OH : rot -158:sc= 0.358 USER MOD Set 5.2: A 31 SER OG : rot 149:sc= 2.16 USER MOD Set 5.3: A 108 TYR OH : rot 180:sc= 0.903 USER MOD Set 6.1: A 90 SER OG : rot -121:sc= 1.43 USER MOD Set 6.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 94 ASN : amide:sc= 0.674 K(o=2.1,f=-7.7!) USER MOD Set 7.1: A 81 MET CE :methyl -145:sc= -0.702 (180deg=-0.149) USER MOD Set 7.2: A 113 SER OG : rot 90:sc= 0.224 USER MOD Set 7.3: A 115 LYS NZ :NH3+ -168:sc= -0.25 (180deg=-0.242) USER MOD Set 7.4: A 116 HIS : no HD1:sc= -0.375 K(o=-1.1,f=-3.8) USER MOD Set 8.1: A 72 SER OG : rot -70:sc= 0.594 USER MOD Set 8.2: A 75 THR OG1 : rot -8:sc= 0.247 USER MOD Set 9.1: A 54 GLN :FLIP amide:sc= -0.323 F(o=-1.5,f=-0.38) USER MOD Set 9.2: A 55 HIS : no HD1:sc= -0.0544 X(o=-0.38,f=-0.45) USER MOD Single : A 30 CYS SG : rot 123:sc= -2.12! USER MOD Single : A 32 ASN : amide:sc= -0.873! C(o=-0.87!,f=-5.3!) USER MOD Single : A 35 HIS : no HE2:sc= 0.917 K(o=0.92,f=-2.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0343 USER MOD Single : A 52 SER OG : rot -36:sc= 0.307 USER MOD Single : A 57 GLN : amide:sc=-0.00431 X(o=-0.0043,f=0.37) USER MOD Single : A 59 GLN : amide:sc= 0.00333 K(o=0.0033,f=-1.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 69 TYR OH : rot 167:sc= 1.29 USER MOD Single : A 71 LYS NZ :NH3+ -124:sc= -0.0347 (180deg=-2.06!) USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.437 USER MOD Single : A 77 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.24) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 88 TYR OH : rot -140:sc= 0.902 USER MOD Single : A 91 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2.3!) USER MOD Single : A 97 CYS SG : rot 41:sc= -2.69! USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 110 THR OG1 : rot -62:sc= -0.605! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD Single : A 131 CYS SG : rot 6:sc= -0.868 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -173:sc= 1.34 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.363 -6.042 11.349 1.00 0.00 N ATOM 12 CA ALA A 26 2.746 -6.059 9.923 1.00 0.00 C ATOM 13 C ALA A 26 3.389 -4.740 9.521 1.00 0.00 C ATOM 14 O ALA A 26 2.878 -3.663 9.811 1.00 0.00 O ATOM 15 CB ALA A 26 1.536 -6.386 9.041 1.00 0.00 C ATOM 0 HA ALA A 26 3.486 -6.845 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.840 -6.393 7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.143 -7.366 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.763 -5.632 9.189 1.00 0.00 H new ATOM 16 N LEU A 27 4.615 -4.904 9.047 1.00 0.00 N ATOM 17 CA LEU A 27 5.470 -3.788 8.581 1.00 0.00 C ATOM 18 C LEU A 27 5.741 -3.949 7.088 1.00 0.00 C ATOM 19 O LEU A 27 5.997 -5.057 6.613 1.00 0.00 O ATOM 20 CB LEU A 27 6.708 -3.878 9.502 1.00 0.00 C ATOM 21 CG LEU A 27 7.935 -3.038 9.148 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.878 -2.966 10.353 1.00 0.00 C ATOM 23 CD2 LEU A 27 8.707 -3.657 7.992 1.00 0.00 C ATOM 0 H LEU A 27 5.061 -5.818 8.968 1.00 0.00 H new ATOM 0 HA LEU A 27 5.034 -2.792 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.395 -3.602 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.019 -4.922 9.540 1.00 0.00 H new ATOM 0 HG LEU A 27 7.585 -2.045 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.751 -2.366 10.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.358 -2.508 11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.196 -3.972 10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.575 -3.039 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.038 -4.658 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.062 -3.719 7.115 1.00 0.00 H new ATOM 24 N LEU A 28 5.759 -2.815 6.372 1.00 0.00 N ATOM 25 CA LEU A 28 5.864 -2.874 4.908 1.00 0.00 C ATOM 26 C LEU A 28 7.030 -2.106 4.271 1.00 0.00 C ATOM 27 O LEU A 28 7.016 -0.871 4.177 1.00 0.00 O ATOM 28 CB LEU A 28 4.558 -2.386 4.294 1.00 0.00 C ATOM 29 CG LEU A 28 4.096 -3.335 3.174 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.521 -4.619 3.767 1.00 0.00 C ATOM 31 CD2 LEU A 28 3.013 -2.673 2.327 1.00 0.00 C ATOM 0 H LEU A 28 5.704 -1.876 6.766 1.00 0.00 H new ATOM 0 HA LEU A 28 6.070 -3.922 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.789 -2.323 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.692 -1.381 3.894 1.00 0.00 H new ATOM 0 HG LEU A 28 4.963 -3.566 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.199 -5.279 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.285 -5.119 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.668 -4.377 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.698 -3.358 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.158 -2.426 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.408 -1.762 1.878 1.00 0.00 H new ATOM 32 N TYR A 29 7.848 -2.895 3.594 1.00 0.00 N ATOM 33 CA TYR A 29 8.992 -2.429 2.808 1.00 0.00 C ATOM 34 C TYR A 29 8.647 -2.462 1.313 1.00 0.00 C ATOM 35 O TYR A 29 7.741 -3.186 0.890 1.00 0.00 O ATOM 36 CB TYR A 29 10.151 -3.361 3.179 1.00 0.00 C ATOM 37 CG TYR A 29 11.370 -3.313 2.251 1.00 0.00 C ATOM 38 CD1 TYR A 29 12.181 -2.161 2.210 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.492 -4.363 1.317 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.112 -2.034 1.148 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.416 -4.239 0.270 1.00 0.00 C ATOM 42 CZ TYR A 29 13.181 -3.064 0.186 1.00 0.00 C ATOM 43 OH TYR A 29 13.888 -2.842 -0.952 1.00 0.00 O ATOM 0 H TYR A 29 7.736 -3.909 3.572 1.00 0.00 H new ATOM 0 HA TYR A 29 9.265 -1.395 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.478 -3.118 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.776 -4.384 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 29 12.096 -1.396 2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.882 -5.250 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.754 -1.168 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.537 -5.029 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 29 13.579 -3.453 -1.653 1.00 0.00 H new ATOM 44 N CYS A 30 9.214 -1.533 0.565 1.00 0.00 N ATOM 45 CA CYS A 30 9.059 -1.472 -0.902 1.00 0.00 C ATOM 46 C CYS A 30 10.393 -1.364 -1.630 1.00 0.00 C ATOM 47 O CYS A 30 11.143 -0.385 -1.473 1.00 0.00 O ATOM 48 CB CYS A 30 8.103 -0.331 -1.261 1.00 0.00 C ATOM 49 SG CYS A 30 7.641 -0.416 -3.022 1.00 0.00 S ATOM 0 H CYS A 30 9.800 -0.790 0.946 1.00 0.00 H new ATOM 0 HA CYS A 30 8.627 -2.412 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.208 -0.389 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.576 0.628 -1.049 1.00 0.00 H new ATOM 0 HG CYS A 30 6.347 -0.484 -3.128 1.00 0.00 H new ATOM 50 N SER A 31 10.529 -2.285 -2.569 1.00 0.00 N ATOM 51 CA SER A 31 11.706 -2.400 -3.455 1.00 0.00 C ATOM 52 C SER A 31 11.653 -1.471 -4.685 1.00 0.00 C ATOM 53 O SER A 31 12.583 -1.452 -5.490 1.00 0.00 O ATOM 54 CB SER A 31 11.938 -3.829 -3.931 1.00 0.00 C ATOM 55 OG SER A 31 12.490 -4.591 -2.862 1.00 0.00 O ATOM 0 H SER A 31 9.818 -2.994 -2.751 1.00 0.00 H new ATOM 0 HA SER A 31 12.540 -2.084 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.999 -4.272 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.614 -3.836 -4.786 1.00 0.00 H new ATOM 0 HG SER A 31 12.204 -5.525 -2.944 1.00 0.00 H new ATOM 56 N ASN A 32 10.662 -0.577 -4.681 1.00 0.00 N ATOM 57 CA ASN A 32 10.501 0.512 -5.666 1.00 0.00 C ATOM 58 C ASN A 32 11.750 1.409 -5.795 1.00 0.00 C ATOM 59 O ASN A 32 11.982 2.036 -6.825 1.00 0.00 O ATOM 60 CB ASN A 32 9.343 1.390 -5.186 1.00 0.00 C ATOM 61 CG ASN A 32 8.614 2.274 -6.222 1.00 0.00 C ATOM 62 OD1 ASN A 32 7.434 2.538 -6.084 1.00 0.00 O ATOM 63 ND2 ASN A 32 9.302 2.808 -7.202 1.00 0.00 N ATOM 0 H ASN A 32 9.925 -0.585 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 32 10.325 0.058 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.601 0.738 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.725 2.044 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.849 3.448 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.291 2.583 -7.313 1.00 0.00 H new ATOM 64 N GLY A 33 12.499 1.461 -4.694 1.00 0.00 N ATOM 65 CA GLY A 33 13.687 2.325 -4.523 1.00 0.00 C ATOM 66 C GLY A 33 14.450 2.125 -3.208 1.00 0.00 C ATOM 67 O GLY A 33 15.618 2.487 -3.110 1.00 0.00 O ATOM 0 H GLY A 33 12.299 0.893 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.370 2.146 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.373 3.367 -4.588 1.00 0.00 H new ATOM 68 N GLY A 34 13.751 1.592 -2.199 1.00 0.00 N ATOM 69 CA GLY A 34 14.314 1.375 -0.850 1.00 0.00 C ATOM 70 C GLY A 34 13.620 2.297 0.158 1.00 0.00 C ATOM 71 O GLY A 34 14.219 3.213 0.726 1.00 0.00 O ATOM 0 H GLY A 34 12.779 1.297 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.183 0.334 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.386 1.571 -0.858 1.00 0.00 H new ATOM 72 N HIS A 35 12.330 2.025 0.313 1.00 0.00 N ATOM 73 CA HIS A 35 11.446 2.784 1.202 1.00 0.00 C ATOM 74 C HIS A 35 10.449 1.871 1.921 1.00 0.00 C ATOM 75 O HIS A 35 10.291 0.701 1.598 1.00 0.00 O ATOM 76 CB HIS A 35 10.599 3.812 0.463 1.00 0.00 C ATOM 77 CG HIS A 35 11.342 5.021 -0.136 1.00 0.00 C ATOM 78 ND1 HIS A 35 12.576 5.414 0.130 1.00 0.00 N ATOM 79 CD2 HIS A 35 10.725 6.036 -0.735 1.00 0.00 C ATOM 80 CE1 HIS A 35 12.718 6.673 -0.245 1.00 0.00 C ATOM 81 NE2 HIS A 35 11.567 7.069 -0.770 1.00 0.00 N ATOM 0 H HIS A 35 11.859 1.265 -0.178 1.00 0.00 H new ATOM 0 HA HIS A 35 12.123 3.277 1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.073 3.302 -0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.841 4.186 1.151 1.00 0.00 H new ATOM 0 HD1 HIS A 35 13.302 4.838 0.556 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.718 6.025 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.611 7.272 -0.142 1.00 0.00 H new ATOM 82 N PHE A 36 9.921 2.428 2.999 1.00 0.00 N ATOM 83 CA PHE A 36 8.808 1.862 3.768 1.00 0.00 C ATOM 84 C PHE A 36 7.527 2.655 3.558 1.00 0.00 C ATOM 85 O PHE A 36 7.563 3.829 3.181 1.00 0.00 O ATOM 86 CB PHE A 36 9.209 1.906 5.234 1.00 0.00 C ATOM 87 CG PHE A 36 10.142 0.747 5.571 1.00 0.00 C ATOM 88 CD1 PHE A 36 11.519 0.850 5.236 1.00 0.00 C ATOM 89 CD2 PHE A 36 9.633 -0.410 6.210 1.00 0.00 C ATOM 90 CE1 PHE A 36 12.393 -0.222 5.526 1.00 0.00 C ATOM 91 CE2 PHE A 36 10.523 -1.470 6.491 1.00 0.00 C ATOM 92 CZ PHE A 36 11.882 -1.383 6.142 1.00 0.00 C ATOM 0 H PHE A 36 10.260 3.312 3.380 1.00 0.00 H new ATOM 0 HA PHE A 36 8.611 0.842 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.703 2.853 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.319 1.858 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.896 1.744 4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.589 -0.480 6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.442 -0.153 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.155 -2.359 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.541 -2.213 6.348 1.00 0.00 H new ATOM 93 N LEU A 37 6.433 1.935 3.745 1.00 0.00 N ATOM 94 CA LEU A 37 5.070 2.478 3.608 1.00 0.00 C ATOM 95 C LEU A 37 4.652 3.140 4.923 1.00 0.00 C ATOM 96 O LEU A 37 4.408 2.478 5.924 1.00 0.00 O ATOM 97 CB LEU A 37 4.139 1.300 3.295 1.00 0.00 C ATOM 98 CG LEU A 37 2.825 1.846 2.719 1.00 0.00 C ATOM 99 CD1 LEU A 37 3.011 2.326 1.274 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.748 0.775 2.771 1.00 0.00 C ATOM 0 H LEU A 37 6.454 0.947 3.999 1.00 0.00 H new ATOM 0 HA LEU A 37 5.022 3.224 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.612 0.625 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.944 0.723 4.199 1.00 0.00 H new ATOM 0 HG LEU A 37 2.519 2.698 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.064 2.707 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.758 3.119 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.343 1.493 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.820 1.172 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.064 -0.088 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.586 0.471 3.805 1.00 0.00 H new ATOM 101 N ARG A 38 4.675 4.469 4.912 1.00 0.00 N ATOM 102 CA ARG A 38 4.430 5.260 6.128 1.00 0.00 C ATOM 103 C ARG A 38 3.216 6.191 6.055 1.00 0.00 C ATOM 104 O ARG A 38 3.167 7.167 5.304 1.00 0.00 O ATOM 105 CB ARG A 38 5.704 5.980 6.545 1.00 0.00 C ATOM 106 CG ARG A 38 6.712 4.965 7.103 1.00 0.00 C ATOM 107 CD ARG A 38 7.178 5.295 8.518 1.00 0.00 C ATOM 108 NE ARG A 38 7.740 6.655 8.437 1.00 0.00 N ATOM 109 CZ ARG A 38 7.955 7.524 9.423 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.305 7.470 10.567 1.00 0.00 N ATOM 111 NH2 ARG A 38 8.506 8.694 9.155 1.00 0.00 N ATOM 0 H ARG A 38 4.860 5.027 4.078 1.00 0.00 H new ATOM 0 HA ARG A 38 4.155 4.552 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.134 6.503 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.477 6.734 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.259 3.973 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.578 4.923 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.349 5.254 9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.926 4.581 8.862 1.00 0.00 H new ATOM 0 HE ARG A 38 7.998 6.972 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.607 6.743 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.500 8.155 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.765 8.928 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.673 9.363 9.906 1.00 0.00 H new ATOM 112 N ILE A 39 2.296 5.854 6.941 1.00 0.00 N ATOM 113 CA ILE A 39 0.944 6.440 7.001 1.00 0.00 C ATOM 114 C ILE A 39 0.833 7.672 7.908 1.00 0.00 C ATOM 115 O ILE A 39 1.074 7.616 9.107 1.00 0.00 O ATOM 116 CB ILE A 39 -0.065 5.339 7.399 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.512 5.833 7.360 1.00 0.00 C ATOM 118 CG2 ILE A 39 0.228 4.687 8.757 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.176 5.464 6.034 1.00 0.00 C ATOM 0 H ILE A 39 2.459 5.150 7.661 1.00 0.00 H new ATOM 0 HA ILE A 39 0.708 6.817 6.006 1.00 0.00 H new ATOM 0 HB ILE A 39 0.064 4.568 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.073 5.396 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.536 6.914 7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.524 3.925 8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.215 4.226 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.201 5.446 9.539 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.204 5.825 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.626 5.922 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.172 4.381 5.914 1.00 0.00 H new ATOM 120 N LEU A 40 0.281 8.738 7.322 1.00 0.00 N ATOM 121 CA LEU A 40 -0.092 9.923 8.103 1.00 0.00 C ATOM 122 C LEU A 40 -1.513 9.834 8.684 1.00 0.00 C ATOM 123 O LEU A 40 -2.446 9.411 7.986 1.00 0.00 O ATOM 124 CB LEU A 40 0.107 11.222 7.309 1.00 0.00 C ATOM 125 CG LEU A 40 1.586 11.510 7.047 1.00 0.00 C ATOM 126 CD1 LEU A 40 1.694 12.704 6.107 1.00 0.00 C ATOM 127 CD2 LEU A 40 2.378 11.769 8.330 1.00 0.00 C ATOM 0 H LEU A 40 0.084 8.807 6.324 1.00 0.00 H new ATOM 0 HA LEU A 40 0.591 9.948 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.423 11.151 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.333 12.054 7.858 1.00 0.00 H new ATOM 0 HG LEU A 40 2.025 10.623 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.745 12.920 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.190 12.474 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.224 13.573 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.420 11.967 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.959 12.631 8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.320 10.893 8.976 1.00 0.00 H new ATOM 128 N PRO A 41 -1.672 10.220 9.966 1.00 0.00 N ATOM 129 CA PRO A 41 -2.958 10.279 10.682 1.00 0.00 C ATOM 130 C PRO A 41 -3.955 11.212 9.995 1.00 0.00 C ATOM 131 O PRO A 41 -3.794 12.425 9.891 1.00 0.00 O ATOM 132 CB PRO A 41 -2.624 10.737 12.108 1.00 0.00 C ATOM 133 CG PRO A 41 -1.271 11.426 11.959 1.00 0.00 C ATOM 134 CD PRO A 41 -0.594 10.567 10.893 1.00 0.00 C ATOM 0 HA PRO A 41 -3.449 9.306 10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.380 11.419 12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.570 9.894 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.374 12.464 11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.711 11.433 12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.203 11.114 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.142 9.676 11.329 1.00 0.00 H new ATOM 135 N ASP A 42 -4.832 10.500 9.311 1.00 0.00 N ATOM 136 CA ASP A 42 -5.946 11.011 8.488 1.00 0.00 C ATOM 137 C ASP A 42 -5.528 11.841 7.266 1.00 0.00 C ATOM 138 O ASP A 42 -6.260 12.715 6.792 1.00 0.00 O ATOM 139 CB ASP A 42 -6.948 11.762 9.381 1.00 0.00 C ATOM 140 CG ASP A 42 -7.689 10.827 10.351 1.00 0.00 C ATOM 141 OD1 ASP A 42 -7.087 10.506 11.400 1.00 0.00 O ATOM 142 OD2 ASP A 42 -8.838 10.479 10.021 1.00 0.00 O ATOM 0 H ASP A 42 -4.794 9.481 9.306 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.427 10.136 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.420 12.526 9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.674 12.278 8.753 1.00 0.00 H new ATOM 143 N GLY A 43 -4.469 11.341 6.627 1.00 0.00 N ATOM 144 CA GLY A 43 -3.901 11.963 5.428 1.00 0.00 C ATOM 145 C GLY A 43 -3.011 11.004 4.623 1.00 0.00 C ATOM 146 O GLY A 43 -2.978 9.792 4.853 1.00 0.00 O ATOM 0 H GLY A 43 -3.981 10.496 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.711 12.320 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.316 12.835 5.719 1.00 0.00 H new ATOM 147 N THR A 44 -2.246 11.611 3.727 1.00 0.00 N ATOM 148 CA THR A 44 -1.367 10.945 2.741 1.00 0.00 C ATOM 149 C THR A 44 -0.423 9.906 3.353 1.00 0.00 C ATOM 150 O THR A 44 0.296 10.146 4.314 1.00 0.00 O ATOM 151 CB THR A 44 -0.542 12.014 2.021 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.399 13.116 1.701 1.00 0.00 O ATOM 153 CG2 THR A 44 0.117 11.479 0.743 1.00 0.00 C ATOM 0 H THR A 44 -2.210 12.628 3.654 1.00 0.00 H new ATOM 0 HA THR A 44 -2.015 10.402 2.053 1.00 0.00 H new ATOM 0 HB THR A 44 0.262 12.329 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.882 13.809 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.691 12.275 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.782 10.653 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.653 11.128 0.056 1.00 0.00 H new ATOM 154 N VAL A 45 -0.460 8.730 2.745 1.00 0.00 N ATOM 155 CA VAL A 45 0.578 7.712 2.986 1.00 0.00 C ATOM 156 C VAL A 45 1.759 7.932 2.022 1.00 0.00 C ATOM 157 O VAL A 45 1.617 8.230 0.842 1.00 0.00 O ATOM 158 CB VAL A 45 0.050 6.270 3.082 1.00 0.00 C ATOM 159 CG1 VAL A 45 -1.167 5.962 2.215 1.00 0.00 C ATOM 160 CG2 VAL A 45 1.087 5.162 2.953 1.00 0.00 C ATOM 0 H VAL A 45 -1.186 8.449 2.086 1.00 0.00 H new ATOM 0 HA VAL A 45 0.967 7.856 3.994 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.279 6.259 4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.460 4.921 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.993 6.613 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.919 6.131 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.596 4.193 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.580 5.236 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.828 5.263 3.746 1.00 0.00 H new ATOM 161 N ASP A 46 2.923 7.877 2.656 1.00 0.00 N ATOM 162 CA ASP A 46 4.206 8.245 2.035 1.00 0.00 C ATOM 163 C ASP A 46 5.261 7.128 2.053 1.00 0.00 C ATOM 164 O ASP A 46 5.108 6.112 2.737 1.00 0.00 O ATOM 165 CB ASP A 46 4.702 9.486 2.781 1.00 0.00 C ATOM 166 CG ASP A 46 3.877 10.748 2.480 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.688 11.038 1.268 1.00 0.00 O ATOM 168 OD2 ASP A 46 3.438 11.384 3.457 1.00 0.00 O ATOM 0 H ASP A 46 3.013 7.574 3.626 1.00 0.00 H new ATOM 0 HA ASP A 46 4.046 8.436 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.676 9.291 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.743 9.669 2.515 1.00 0.00 H new ATOM 169 N GLY A 47 6.320 7.352 1.274 1.00 0.00 N ATOM 170 CA GLY A 47 7.485 6.461 1.127 1.00 0.00 C ATOM 171 C GLY A 47 8.686 7.011 1.915 1.00 0.00 C ATOM 172 O GLY A 47 9.015 8.195 1.849 1.00 0.00 O ATOM 0 H GLY A 47 6.398 8.193 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.234 5.462 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.747 6.366 0.073 1.00 0.00 H new ATOM 173 N THR A 48 9.280 6.122 2.694 1.00 0.00 N ATOM 174 CA THR A 48 10.291 6.483 3.722 1.00 0.00 C ATOM 175 C THR A 48 11.405 5.441 3.789 1.00 0.00 C ATOM 176 O THR A 48 11.193 4.358 4.312 1.00 0.00 O ATOM 177 CB THR A 48 9.532 6.620 5.046 1.00 0.00 C ATOM 178 OG1 THR A 48 8.505 7.607 4.890 1.00 0.00 O ATOM 179 CG2 THR A 48 10.396 6.987 6.260 1.00 0.00 C ATOM 0 H THR A 48 9.086 5.122 2.645 1.00 0.00 H new ATOM 0 HA THR A 48 10.791 7.421 3.479 1.00 0.00 H new ATOM 0 HB THR A 48 9.129 5.630 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.229 7.934 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.766 7.060 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.152 6.217 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.885 7.945 6.083 1.00 0.00 H new ATOM 180 N ARG A 49 12.631 5.921 3.601 1.00 0.00 N ATOM 181 CA ARG A 49 13.855 5.075 3.615 1.00 0.00 C ATOM 182 C ARG A 49 14.300 4.573 5.009 1.00 0.00 C ATOM 183 O ARG A 49 15.411 4.084 5.218 1.00 0.00 O ATOM 184 CB ARG A 49 14.989 5.834 2.926 1.00 0.00 C ATOM 185 CG ARG A 49 15.339 7.157 3.613 1.00 0.00 C ATOM 186 CD ARG A 49 16.492 7.884 2.925 1.00 0.00 C ATOM 187 NE ARG A 49 16.073 8.417 1.618 1.00 0.00 N ATOM 188 CZ ARG A 49 16.433 7.951 0.425 1.00 0.00 C ATOM 189 NH1 ARG A 49 17.200 6.882 0.275 1.00 0.00 N ATOM 190 NH2 ARG A 49 15.990 8.560 -0.668 1.00 0.00 N ATOM 0 H ARG A 49 12.821 6.909 3.433 1.00 0.00 H new ATOM 0 HA ARG A 49 13.601 4.164 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.876 5.201 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.708 6.033 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.460 7.802 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.604 6.964 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.843 8.699 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.330 7.200 2.791 1.00 0.00 H new ATOM 0 HE ARG A 49 15.446 9.221 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.540 6.379 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.450 6.561 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.382 9.375 -0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.258 8.213 -1.589 1.00 0.00 H new ATOM 191 N ASP A 50 13.404 4.747 5.967 1.00 0.00 N ATOM 192 CA ASP A 50 13.605 4.338 7.374 1.00 0.00 C ATOM 193 C ASP A 50 12.420 3.498 7.863 1.00 0.00 C ATOM 194 O ASP A 50 11.262 3.869 7.733 1.00 0.00 O ATOM 195 CB ASP A 50 13.747 5.576 8.265 1.00 0.00 C ATOM 196 CG ASP A 50 14.987 6.403 7.927 1.00 0.00 C ATOM 197 OD1 ASP A 50 14.906 7.180 6.956 1.00 0.00 O ATOM 198 OD2 ASP A 50 15.962 6.283 8.700 1.00 0.00 O ATOM 0 H ASP A 50 12.497 5.182 5.800 1.00 0.00 H new ATOM 0 HA ASP A 50 14.515 3.740 7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.859 6.199 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.796 5.265 9.308 1.00 0.00 H new ATOM 199 N ARG A 51 12.805 2.355 8.443 1.00 0.00 N ATOM 200 CA ARG A 51 11.891 1.424 9.119 1.00 0.00 C ATOM 201 C ARG A 51 10.965 2.111 10.141 1.00 0.00 C ATOM 202 O ARG A 51 9.746 1.923 10.082 1.00 0.00 O ATOM 203 CB ARG A 51 12.798 0.365 9.761 1.00 0.00 C ATOM 204 CG ARG A 51 12.029 -0.779 10.430 1.00 0.00 C ATOM 205 CD ARG A 51 12.949 -1.961 10.695 1.00 0.00 C ATOM 206 NE ARG A 51 13.237 -2.630 9.412 1.00 0.00 N ATOM 207 CZ ARG A 51 14.435 -2.764 8.819 1.00 0.00 C ATOM 208 NH1 ARG A 51 15.565 -2.370 9.384 1.00 0.00 N ATOM 209 NH2 ARG A 51 14.518 -3.381 7.651 1.00 0.00 N ATOM 0 H ARG A 51 13.777 2.045 8.456 1.00 0.00 H new ATOM 0 HA ARG A 51 11.193 0.979 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.456 -0.049 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.435 0.846 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.594 -0.432 11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.202 -1.091 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.874 -1.623 11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.479 -2.658 11.388 1.00 0.00 H new ATOM 0 HE ARG A 51 12.440 -3.035 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.550 -1.943 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.451 -2.493 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.676 -3.750 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.423 -3.487 7.194 1.00 0.00 H new ATOM 210 N SER A 52 11.592 2.848 11.064 1.00 0.00 N ATOM 211 CA SER A 52 11.025 3.728 12.119 1.00 0.00 C ATOM 212 C SER A 52 10.125 3.067 13.171 1.00 0.00 C ATOM 213 O SER A 52 10.325 3.250 14.372 1.00 0.00 O ATOM 214 CB SER A 52 10.289 4.951 11.560 1.00 0.00 C ATOM 215 OG SER A 52 9.008 4.597 11.027 1.00 0.00 O ATOM 0 H SER A 52 12.611 2.851 11.104 1.00 0.00 H new ATOM 0 HA SER A 52 11.937 4.027 12.636 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.163 5.693 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.893 5.415 10.780 1.00 0.00 H new ATOM 0 HG SER A 52 9.062 3.715 10.603 1.00 0.00 H new ATOM 216 N ASP A 53 9.157 2.300 12.679 1.00 0.00 N ATOM 217 CA ASP A 53 7.998 1.757 13.404 1.00 0.00 C ATOM 218 C ASP A 53 7.042 2.740 14.074 1.00 0.00 C ATOM 219 O ASP A 53 6.128 2.361 14.800 1.00 0.00 O ATOM 220 CB ASP A 53 8.407 0.610 14.341 1.00 0.00 C ATOM 221 CG ASP A 53 8.813 -0.657 13.576 1.00 0.00 C ATOM 222 OD1 ASP A 53 9.729 -0.548 12.735 1.00 0.00 O ATOM 223 OD2 ASP A 53 8.193 -1.702 13.835 1.00 0.00 O ATOM 0 H ASP A 53 9.155 2.019 11.699 1.00 0.00 H new ATOM 0 HA ASP A 53 7.377 1.370 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.238 0.935 14.967 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.578 0.377 15.009 1.00 0.00 H new ATOM 224 N GLN A 54 7.096 3.956 13.531 1.00 0.00 N ATOM 225 CA GLN A 54 6.180 5.040 13.902 1.00 0.00 C ATOM 226 C GLN A 54 4.868 4.912 13.106 1.00 0.00 C ATOM 227 O GLN A 54 3.784 4.870 13.686 1.00 0.00 O ATOM 228 CB GLN A 54 6.893 6.344 13.531 1.00 0.00 C ATOM 229 CG GLN A 54 6.298 7.574 14.223 1.00 0.00 C ATOM 230 CD GLN A 54 6.938 8.842 13.654 1.00 0.00 C ATOM 231 OE1 GLN A 54 6.239 9.475 12.735 1.00 0.00 O flip ATOM 232 NE2 GLN A 54 8.062 9.213 13.930 1.00 0.00 N flip ATOM 0 H GLN A 54 7.777 4.220 12.819 1.00 0.00 H new ATOM 0 HA GLN A 54 5.931 5.009 14.963 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.948 6.262 13.794 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.844 6.483 12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.219 7.601 14.074 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.470 7.518 15.298 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.601 8.721 14.642 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.466 10.017 13.449 1.00 0.00 H new ATOM 233 N HIS A 55 5.017 4.674 11.797 1.00 0.00 N ATOM 234 CA HIS A 55 3.882 4.696 10.857 1.00 0.00 C ATOM 235 C HIS A 55 3.786 3.521 9.854 1.00 0.00 C ATOM 236 O HIS A 55 3.175 3.660 8.786 1.00 0.00 O ATOM 237 CB HIS A 55 3.957 5.997 10.047 1.00 0.00 C ATOM 238 CG HIS A 55 3.811 7.270 10.860 1.00 0.00 C ATOM 239 ND1 HIS A 55 4.333 8.439 10.484 1.00 0.00 N ATOM 240 CD2 HIS A 55 2.887 7.517 11.776 1.00 0.00 C ATOM 241 CE1 HIS A 55 3.681 9.407 11.113 1.00 0.00 C ATOM 242 NE2 HIS A 55 2.782 8.831 11.908 1.00 0.00 N ATOM 0 H HIS A 55 5.914 4.463 11.361 1.00 0.00 H new ATOM 0 HA HIS A 55 2.996 4.610 11.487 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.912 6.026 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.177 5.979 9.286 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.319 6.777 12.320 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.849 10.468 11.001 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.124 9.319 12.516 1.00 0.00 H new ATOM 243 N ILE A 56 4.341 2.376 10.214 1.00 0.00 N ATOM 244 CA ILE A 56 4.311 1.204 9.311 1.00 0.00 C ATOM 245 C ILE A 56 3.287 0.108 9.649 1.00 0.00 C ATOM 246 O ILE A 56 2.906 -0.671 8.782 1.00 0.00 O ATOM 247 CB ILE A 56 5.702 0.588 9.063 1.00 0.00 C ATOM 248 CG1 ILE A 56 6.548 0.315 10.303 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.523 1.465 8.119 1.00 0.00 C ATOM 250 CD1 ILE A 56 5.932 -0.588 11.378 1.00 0.00 C ATOM 0 H ILE A 56 4.813 2.219 11.105 1.00 0.00 H new ATOM 0 HA ILE A 56 3.955 1.649 8.382 1.00 0.00 H new ATOM 0 HB ILE A 56 5.470 -0.384 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.488 -0.134 9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.793 1.272 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.501 1.011 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.004 1.557 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.650 2.454 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.634 -0.701 12.204 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.009 -0.139 11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.714 -1.567 10.950 1.00 0.00 H new ATOM 251 N GLN A 57 2.824 0.078 10.902 1.00 0.00 N ATOM 252 CA GLN A 57 2.062 -1.055 11.444 1.00 0.00 C ATOM 253 C GLN A 57 0.666 -1.137 10.803 1.00 0.00 C ATOM 254 O GLN A 57 -0.178 -0.274 11.035 1.00 0.00 O ATOM 255 CB GLN A 57 1.955 -0.924 12.966 1.00 0.00 C ATOM 256 CG GLN A 57 1.949 -2.264 13.708 1.00 0.00 C ATOM 257 CD GLN A 57 3.339 -2.894 13.830 1.00 0.00 C ATOM 258 OE1 GLN A 57 3.584 -4.009 13.394 1.00 0.00 O ATOM 259 NE2 GLN A 57 4.273 -2.203 14.451 1.00 0.00 N ATOM 0 H GLN A 57 2.966 0.836 11.570 1.00 0.00 H new ATOM 0 HA GLN A 57 2.589 -1.979 11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.790 -0.324 13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.042 -0.381 13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.535 -2.117 14.706 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.288 -2.957 13.187 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.063 -1.273 14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.206 -2.598 14.570 1.00 0.00 H new ATOM 260 N LEU A 58 0.468 -2.192 10.031 1.00 0.00 N ATOM 261 CA LEU A 58 -0.754 -2.432 9.246 1.00 0.00 C ATOM 262 C LEU A 58 -1.488 -3.744 9.537 1.00 0.00 C ATOM 263 O LEU A 58 -0.964 -4.637 10.206 1.00 0.00 O ATOM 264 CB LEU A 58 -0.434 -2.250 7.753 1.00 0.00 C ATOM 265 CG LEU A 58 0.679 -3.163 7.228 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.125 -4.221 6.266 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.693 -2.300 6.478 1.00 0.00 C ATOM 0 H LEU A 58 1.164 -2.930 9.923 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.480 -1.685 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.340 -2.433 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.149 -1.213 7.579 1.00 0.00 H new ATOM 0 HG LEU A 58 1.141 -3.675 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.940 -4.853 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.611 -4.835 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.348 -3.728 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.495 -2.931 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.199 -1.797 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.109 -1.555 7.156 1.00 0.00 H new ATOM 268 N GLN A 59 -2.776 -3.737 9.201 1.00 0.00 N ATOM 269 CA GLN A 59 -3.639 -4.925 9.312 1.00 0.00 C ATOM 270 C GLN A 59 -4.285 -5.219 7.955 1.00 0.00 C ATOM 271 O GLN A 59 -4.944 -4.350 7.377 1.00 0.00 O ATOM 272 CB GLN A 59 -4.761 -4.668 10.328 1.00 0.00 C ATOM 273 CG GLN A 59 -5.058 -5.894 11.217 1.00 0.00 C ATOM 274 CD GLN A 59 -5.390 -7.170 10.432 1.00 0.00 C ATOM 275 OE1 GLN A 59 -4.517 -7.939 10.041 1.00 0.00 O ATOM 276 NE2 GLN A 59 -6.638 -7.375 10.108 1.00 0.00 N ATOM 0 H GLN A 59 -3.257 -2.911 8.844 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.028 -5.768 9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.485 -3.825 10.961 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.668 -4.383 9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.194 -6.086 11.853 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.893 -5.658 11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.361 -6.734 10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.890 -8.176 9.529 1.00 0.00 H new ATOM 277 N LEU A 60 -4.254 -6.498 7.581 1.00 0.00 N ATOM 278 CA LEU A 60 -4.835 -6.965 6.313 1.00 0.00 C ATOM 279 C LEU A 60 -6.223 -7.557 6.548 1.00 0.00 C ATOM 280 O LEU A 60 -6.448 -8.758 6.662 1.00 0.00 O ATOM 281 CB LEU A 60 -3.900 -8.009 5.675 1.00 0.00 C ATOM 282 CG LEU A 60 -2.480 -7.462 5.457 1.00 0.00 C ATOM 283 CD1 LEU A 60 -1.482 -8.611 5.504 1.00 0.00 C ATOM 284 CD2 LEU A 60 -2.370 -6.654 4.165 1.00 0.00 C ATOM 0 H LEU A 60 -3.830 -7.238 8.140 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.940 -6.120 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.853 -8.891 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.315 -8.329 4.719 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.245 -6.766 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.475 -8.224 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.537 -9.102 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.719 -9.331 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.350 -6.287 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.624 -7.289 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.057 -5.809 4.205 1.00 0.00 H new ATOM 285 N SER A 61 -7.180 -6.639 6.490 1.00 0.00 N ATOM 286 CA SER A 61 -8.551 -6.911 6.944 1.00 0.00 C ATOM 287 C SER A 61 -9.492 -7.139 5.759 1.00 0.00 C ATOM 288 O SER A 61 -10.091 -6.214 5.207 1.00 0.00 O ATOM 289 CB SER A 61 -8.960 -5.749 7.833 1.00 0.00 C ATOM 290 OG SER A 61 -10.074 -6.131 8.649 1.00 0.00 O ATOM 0 H SER A 61 -7.038 -5.694 6.133 1.00 0.00 H new ATOM 0 HA SER A 61 -8.607 -7.835 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.122 -5.448 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.224 -4.887 7.221 1.00 0.00 H new ATOM 0 HG SER A 61 -10.333 -5.379 9.222 1.00 0.00 H new ATOM 291 N ALA A 62 -9.241 -8.298 5.163 1.00 0.00 N ATOM 292 CA ALA A 62 -10.052 -8.889 4.077 1.00 0.00 C ATOM 293 C ALA A 62 -11.556 -8.934 4.342 1.00 0.00 C ATOM 294 O ALA A 62 -12.030 -9.338 5.406 1.00 0.00 O ATOM 295 CB ALA A 62 -9.541 -10.306 3.807 1.00 0.00 C ATOM 0 H ALA A 62 -8.445 -8.880 5.422 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.932 -8.234 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.128 -10.758 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.493 -10.264 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.637 -10.906 4.712 1.00 0.00 H new ATOM 296 N GLU A 63 -12.239 -8.397 3.347 1.00 0.00 N ATOM 297 CA GLU A 63 -13.710 -8.476 3.215 1.00 0.00 C ATOM 298 C GLU A 63 -14.115 -9.758 2.444 1.00 0.00 C ATOM 299 O GLU A 63 -15.197 -10.312 2.627 1.00 0.00 O ATOM 300 CB GLU A 63 -14.141 -7.236 2.424 1.00 0.00 C ATOM 301 CG GLU A 63 -15.653 -7.095 2.213 1.00 0.00 C ATOM 302 CD GLU A 63 -16.357 -6.323 3.337 1.00 0.00 C ATOM 303 OE1 GLU A 63 -16.397 -5.083 3.211 1.00 0.00 O ATOM 304 OE2 GLU A 63 -16.852 -6.966 4.275 1.00 0.00 O ATOM 0 H GLU A 63 -11.794 -7.882 2.588 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.189 -8.513 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.777 -6.349 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.654 -7.258 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.834 -6.588 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.095 -8.088 2.132 1.00 0.00 H new ATOM 305 N SER A 64 -13.234 -10.101 1.515 1.00 0.00 N ATOM 306 CA SER A 64 -13.357 -11.216 0.560 1.00 0.00 C ATOM 307 C SER A 64 -12.066 -11.326 -0.260 1.00 0.00 C ATOM 308 O SER A 64 -11.155 -10.525 -0.074 1.00 0.00 O ATOM 309 CB SER A 64 -14.527 -10.973 -0.394 1.00 0.00 C ATOM 310 OG SER A 64 -14.350 -9.715 -1.077 1.00 0.00 O ATOM 0 H SER A 64 -12.362 -9.586 1.393 1.00 0.00 H new ATOM 0 HA SER A 64 -13.532 -12.137 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.591 -11.784 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.465 -10.967 0.161 1.00 0.00 H new ATOM 0 HG SER A 64 -15.102 -9.566 -1.688 1.00 0.00 H new ATOM 311 N VAL A 65 -11.875 -12.539 -0.781 1.00 0.00 N ATOM 312 CA VAL A 65 -10.900 -12.946 -1.826 1.00 0.00 C ATOM 313 C VAL A 65 -9.824 -11.892 -2.135 1.00 0.00 C ATOM 314 O VAL A 65 -10.000 -11.010 -2.968 1.00 0.00 O ATOM 315 CB VAL A 65 -11.692 -13.393 -3.077 1.00 0.00 C ATOM 316 CG1 VAL A 65 -10.773 -13.844 -4.227 1.00 0.00 C ATOM 317 CG2 VAL A 65 -12.643 -14.556 -2.764 1.00 0.00 C ATOM 0 H VAL A 65 -12.435 -13.332 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.315 -13.783 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.257 -12.513 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.380 -14.147 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.123 -13.019 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.164 -14.686 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.180 -14.840 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.069 -15.408 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.356 -14.247 -2.000 1.00 0.00 H new ATOM 318 N GLY A 66 -8.848 -11.876 -1.227 1.00 0.00 N ATOM 319 CA GLY A 66 -7.618 -11.054 -1.325 1.00 0.00 C ATOM 320 C GLY A 66 -7.752 -9.548 -1.031 1.00 0.00 C ATOM 321 O GLY A 66 -6.781 -8.925 -0.608 1.00 0.00 O ATOM 0 H GLY A 66 -8.881 -12.443 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.880 -11.468 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.216 -11.167 -2.332 1.00 0.00 H new ATOM 322 N GLU A 67 -8.891 -8.970 -1.404 1.00 0.00 N ATOM 323 CA GLU A 67 -9.207 -7.533 -1.254 1.00 0.00 C ATOM 324 C GLU A 67 -9.365 -7.136 0.218 1.00 0.00 C ATOM 325 O GLU A 67 -10.354 -7.369 0.917 1.00 0.00 O ATOM 326 CB GLU A 67 -10.408 -7.153 -2.135 1.00 0.00 C ATOM 327 CG GLU A 67 -11.674 -7.943 -1.794 1.00 0.00 C ATOM 328 CD GLU A 67 -12.806 -7.707 -2.790 1.00 0.00 C ATOM 329 OE1 GLU A 67 -12.819 -8.425 -3.820 1.00 0.00 O ATOM 330 OE2 GLU A 67 -13.641 -6.820 -2.495 1.00 0.00 O ATOM 0 H GLU A 67 -9.651 -9.497 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.362 -6.946 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.610 -6.088 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.152 -7.322 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.437 -9.006 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.012 -7.666 -0.795 1.00 0.00 H new ATOM 331 N VAL A 68 -8.224 -6.660 0.677 1.00 0.00 N ATOM 332 CA VAL A 68 -7.971 -6.346 2.098 1.00 0.00 C ATOM 333 C VAL A 68 -8.008 -4.831 2.343 1.00 0.00 C ATOM 334 O VAL A 68 -7.536 -4.029 1.541 1.00 0.00 O ATOM 335 CB VAL A 68 -6.639 -6.944 2.597 1.00 0.00 C ATOM 336 CG1 VAL A 68 -6.600 -8.475 2.474 1.00 0.00 C ATOM 337 CG2 VAL A 68 -5.389 -6.365 1.927 1.00 0.00 C ATOM 0 H VAL A 68 -7.423 -6.472 0.074 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.772 -6.810 2.673 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.612 -6.655 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.642 -8.845 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.406 -8.908 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.725 -8.759 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.501 -6.843 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.434 -6.547 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.342 -5.292 2.111 1.00 0.00 H new ATOM 338 N TYR A 69 -8.708 -4.499 3.416 1.00 0.00 N ATOM 339 CA TYR A 69 -8.709 -3.151 3.988 1.00 0.00 C ATOM 340 C TYR A 69 -7.495 -3.026 4.900 1.00 0.00 C ATOM 341 O TYR A 69 -7.414 -3.694 5.940 1.00 0.00 O ATOM 342 CB TYR A 69 -9.932 -2.869 4.854 1.00 0.00 C ATOM 343 CG TYR A 69 -11.249 -2.974 4.095 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.630 -1.912 3.243 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.120 -4.025 4.424 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.933 -1.893 2.736 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.428 -4.006 3.907 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.816 -2.947 3.071 1.00 0.00 C ATOM 349 OH TYR A 69 -15.056 -2.946 2.531 1.00 0.00 O ATOM 0 H TYR A 69 -9.298 -5.159 3.923 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.704 -2.449 3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.946 -3.569 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.845 -1.869 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.929 -1.131 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.792 -4.832 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.261 -1.086 2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.124 -4.795 4.150 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.476 -3.819 2.675 1.00 0.00 H new ATOM 350 N ILE A 70 -6.483 -2.343 4.396 1.00 0.00 N ATOM 351 CA ILE A 70 -5.252 -2.197 5.188 1.00 0.00 C ATOM 352 C ILE A 70 -5.375 -1.079 6.212 1.00 0.00 C ATOM 353 O ILE A 70 -5.030 0.084 6.003 1.00 0.00 O ATOM 354 CB ILE A 70 -4.018 -2.118 4.275 1.00 0.00 C ATOM 355 CG1 ILE A 70 -4.007 -3.272 3.251 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.741 -2.175 5.132 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.980 -3.128 2.130 1.00 0.00 C ATOM 0 H ILE A 70 -6.474 -1.893 3.481 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.102 -3.095 5.788 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.056 -1.177 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.817 -4.206 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.999 -3.353 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.866 -2.119 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.732 -1.336 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.720 -3.110 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.048 -3.986 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.179 -2.215 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.979 -3.080 2.558 1.00 0.00 H new ATOM 358 N LYS A 71 -5.892 -1.511 7.353 1.00 0.00 N ATOM 359 CA LYS A 71 -6.086 -0.673 8.534 1.00 0.00 C ATOM 360 C LYS A 71 -4.712 -0.563 9.197 1.00 0.00 C ATOM 361 O LYS A 71 -4.219 -1.514 9.803 1.00 0.00 O ATOM 362 CB LYS A 71 -7.082 -1.336 9.478 1.00 0.00 C ATOM 363 CG LYS A 71 -7.510 -0.372 10.599 1.00 0.00 C ATOM 364 CD LYS A 71 -6.915 -0.715 11.964 1.00 0.00 C ATOM 365 CE LYS A 71 -7.580 -1.946 12.591 1.00 0.00 C ATOM 366 NZ LYS A 71 -6.963 -2.260 13.890 1.00 0.00 N ATOM 0 H LYS A 71 -6.196 -2.475 7.490 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.482 0.310 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.959 -1.659 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.635 -2.230 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.214 0.641 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.597 -0.377 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.845 -0.896 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.029 0.138 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.646 -1.763 12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.484 -2.800 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.618 -3.241 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.166 -1.614 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.668 -2.147 14.646 1.00 0.00 H new ATOM 367 N SER A 72 -4.119 0.601 9.043 1.00 0.00 N ATOM 368 CA SER A 72 -2.747 0.847 9.507 1.00 0.00 C ATOM 369 C SER A 72 -2.695 1.168 11.006 1.00 0.00 C ATOM 370 O SER A 72 -2.583 2.306 11.430 1.00 0.00 O ATOM 371 CB SER A 72 -2.002 1.859 8.625 1.00 0.00 C ATOM 372 OG SER A 72 -2.675 3.122 8.595 1.00 0.00 O ATOM 0 H SER A 72 -4.560 1.406 8.598 1.00 0.00 H new ATOM 0 HA SER A 72 -2.195 -0.086 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.988 1.994 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.916 1.467 7.612 1.00 0.00 H new ATOM 0 HG SER A 72 -3.509 3.036 8.087 1.00 0.00 H new ATOM 373 N THR A 73 -3.113 0.133 11.723 1.00 0.00 N ATOM 374 CA THR A 73 -3.187 -0.038 13.204 1.00 0.00 C ATOM 375 C THR A 73 -2.564 1.052 14.109 1.00 0.00 C ATOM 376 O THR A 73 -3.243 1.568 14.994 1.00 0.00 O ATOM 377 CB THR A 73 -2.654 -1.395 13.685 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.238 -1.479 13.508 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.346 -2.572 12.981 1.00 0.00 C ATOM 0 H THR A 73 -3.448 -0.706 11.250 1.00 0.00 H new ATOM 0 HA THR A 73 -4.266 0.050 13.331 1.00 0.00 H new ATOM 0 HB THR A 73 -2.883 -1.465 14.748 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.975 -0.959 12.720 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.936 -3.511 13.354 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.417 -2.538 13.183 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.177 -2.504 11.906 1.00 0.00 H new ATOM 380 N GLU A 74 -1.353 1.477 13.760 1.00 0.00 N ATOM 381 CA GLU A 74 -0.558 2.511 14.466 1.00 0.00 C ATOM 382 C GLU A 74 -1.218 3.904 14.475 1.00 0.00 C ATOM 383 O GLU A 74 -1.010 4.692 15.396 1.00 0.00 O ATOM 384 CB GLU A 74 0.809 2.569 13.788 1.00 0.00 C ATOM 385 CG GLU A 74 1.921 2.555 14.851 1.00 0.00 C ATOM 386 CD GLU A 74 3.208 1.850 14.408 1.00 0.00 C ATOM 387 OE1 GLU A 74 3.581 1.975 13.214 1.00 0.00 O ATOM 388 OE2 GLU A 74 3.674 0.994 15.197 1.00 0.00 O ATOM 0 H GLU A 74 -0.867 1.103 12.945 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.479 2.230 15.516 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.927 1.720 13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.886 3.471 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.159 3.583 15.124 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.543 2.066 15.749 1.00 0.00 H new ATOM 389 N THR A 75 -1.898 4.184 13.375 1.00 0.00 N ATOM 390 CA THR A 75 -2.716 5.398 13.171 1.00 0.00 C ATOM 391 C THR A 75 -4.219 5.079 13.120 1.00 0.00 C ATOM 392 O THR A 75 -5.052 5.987 13.089 1.00 0.00 O ATOM 393 CB THR A 75 -2.355 6.081 11.842 1.00 0.00 C ATOM 394 OG1 THR A 75 -2.500 5.153 10.764 1.00 0.00 O ATOM 395 CG2 THR A 75 -0.975 6.745 11.880 1.00 0.00 C ATOM 0 H THR A 75 -1.905 3.562 12.567 1.00 0.00 H new ATOM 0 HA THR A 75 -2.505 6.050 14.018 1.00 0.00 H new ATOM 0 HB THR A 75 -3.055 6.899 11.674 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.672 4.258 11.124 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.769 7.212 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.958 7.504 12.663 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.215 5.992 12.088 1.00 0.00 H new ATOM 396 N GLY A 76 -4.511 3.792 12.931 1.00 0.00 N ATOM 397 CA GLY A 76 -5.859 3.214 12.799 1.00 0.00 C ATOM 398 C GLY A 76 -6.530 3.494 11.438 1.00 0.00 C ATOM 399 O GLY A 76 -7.676 3.116 11.228 1.00 0.00 O ATOM 0 H GLY A 76 -3.780 3.084 12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.797 2.136 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.492 3.609 13.593 1.00 0.00 H new ATOM 400 N GLN A 77 -5.725 3.902 10.464 1.00 0.00 N ATOM 401 CA GLN A 77 -6.209 4.375 9.156 1.00 0.00 C ATOM 402 C GLN A 77 -6.189 3.332 8.039 1.00 0.00 C ATOM 403 O GLN A 77 -5.148 2.775 7.688 1.00 0.00 O ATOM 404 CB GLN A 77 -5.407 5.592 8.662 1.00 0.00 C ATOM 405 CG GLN A 77 -5.540 6.883 9.479 1.00 0.00 C ATOM 406 CD GLN A 77 -6.970 7.358 9.723 1.00 0.00 C ATOM 407 OE1 GLN A 77 -7.591 8.052 8.933 1.00 0.00 O ATOM 408 NE2 GLN A 77 -7.433 7.121 10.929 1.00 0.00 N ATOM 0 H GLN A 77 -4.709 3.917 10.552 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.250 4.632 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.353 5.315 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.710 5.805 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.055 6.734 10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.994 7.675 8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.900 6.539 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.326 7.519 11.220 1.00 0.00 H new ATOM 409 N TYR A 78 -7.294 3.324 7.320 1.00 0.00 N ATOM 410 CA TYR A 78 -7.542 2.472 6.149 1.00 0.00 C ATOM 411 C TYR A 78 -6.808 3.000 4.910 1.00 0.00 C ATOM 412 O TYR A 78 -7.028 4.128 4.471 1.00 0.00 O ATOM 413 CB TYR A 78 -9.048 2.397 5.866 1.00 0.00 C ATOM 414 CG TYR A 78 -9.797 1.662 6.976 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.233 2.380 8.110 1.00 0.00 C ATOM 416 CD2 TYR A 78 -9.914 0.255 6.900 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.773 1.684 9.205 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.470 -0.444 7.992 1.00 0.00 C ATOM 419 CZ TYR A 78 -10.878 0.282 9.122 1.00 0.00 C ATOM 420 OH TYR A 78 -11.393 -0.389 10.182 1.00 0.00 O ATOM 0 H TYR A 78 -8.083 3.933 7.536 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.161 1.475 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.449 3.405 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.215 1.889 4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.152 3.457 8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.583 -0.276 6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.100 2.212 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.580 -1.518 7.959 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.407 -1.349 9.986 1.00 0.00 H new ATOM 421 N LEU A 79 -5.819 2.221 4.482 1.00 0.00 N ATOM 422 CA LEU A 79 -5.009 2.504 3.293 1.00 0.00 C ATOM 423 C LEU A 79 -5.860 2.449 2.019 1.00 0.00 C ATOM 424 O LEU A 79 -6.328 1.408 1.585 1.00 0.00 O ATOM 425 CB LEU A 79 -3.938 1.404 3.269 1.00 0.00 C ATOM 426 CG LEU A 79 -2.668 1.816 2.521 1.00 0.00 C ATOM 427 CD1 LEU A 79 -1.790 2.657 3.452 1.00 0.00 C ATOM 428 CD2 LEU A 79 -1.875 0.580 2.121 1.00 0.00 C ATOM 0 H LEU A 79 -5.550 1.359 4.957 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.576 3.503 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.678 1.136 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.354 0.511 2.802 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.950 2.382 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.883 2.955 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.337 3.547 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.524 2.069 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.973 0.883 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.599 0.020 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.485 -0.049 1.472 1.00 0.00 H new ATOM 429 N ALA A 80 -6.041 3.645 1.471 1.00 0.00 N ATOM 430 CA ALA A 80 -7.068 3.867 0.445 1.00 0.00 C ATOM 431 C ALA A 80 -6.635 4.864 -0.626 1.00 0.00 C ATOM 432 O ALA A 80 -6.183 5.971 -0.329 1.00 0.00 O ATOM 433 CB ALA A 80 -8.319 4.367 1.159 1.00 0.00 C ATOM 0 H ALA A 80 -5.498 4.474 1.713 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.252 2.930 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.108 4.544 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.651 3.618 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.093 5.296 1.682 1.00 0.00 H new ATOM 434 N MET A 81 -6.876 4.462 -1.864 1.00 0.00 N ATOM 435 CA MET A 81 -6.549 5.307 -3.029 1.00 0.00 C ATOM 436 C MET A 81 -7.720 6.161 -3.506 1.00 0.00 C ATOM 437 O MET A 81 -8.869 5.981 -3.108 1.00 0.00 O ATOM 438 CB MET A 81 -5.914 4.475 -4.163 1.00 0.00 C ATOM 439 CG MET A 81 -6.807 3.464 -4.886 1.00 0.00 C ATOM 440 SD MET A 81 -7.915 4.174 -6.147 1.00 0.00 S ATOM 441 CE MET A 81 -7.940 2.831 -7.311 1.00 0.00 C ATOM 0 H MET A 81 -7.295 3.562 -2.100 1.00 0.00 H new ATOM 0 HA MET A 81 -5.799 6.024 -2.694 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.520 5.167 -4.907 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.063 3.935 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.172 2.717 -5.362 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.413 2.942 -4.145 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.997 3.229 -8.324 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.031 2.240 -7.204 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.808 2.200 -7.120 1.00 0.00 H new ATOM 442 N ASP A 82 -7.283 7.325 -3.940 1.00 0.00 N ATOM 443 CA ASP A 82 -8.067 8.273 -4.735 1.00 0.00 C ATOM 444 C ASP A 82 -7.885 7.874 -6.208 1.00 0.00 C ATOM 445 O ASP A 82 -6.915 7.213 -6.568 1.00 0.00 O ATOM 446 CB ASP A 82 -7.533 9.672 -4.387 1.00 0.00 C ATOM 447 CG ASP A 82 -8.103 10.806 -5.243 1.00 0.00 C ATOM 448 OD1 ASP A 82 -9.258 11.201 -4.993 1.00 0.00 O ATOM 449 OD2 ASP A 82 -7.392 11.133 -6.226 1.00 0.00 O ATOM 0 H ASP A 82 -6.338 7.658 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.138 8.270 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.753 9.880 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.448 9.668 -4.490 1.00 0.00 H new ATOM 450 N THR A 83 -8.771 8.378 -7.055 1.00 0.00 N ATOM 451 CA THR A 83 -8.773 8.155 -8.524 1.00 0.00 C ATOM 452 C THR A 83 -7.709 8.911 -9.322 1.00 0.00 C ATOM 453 O THR A 83 -7.754 8.988 -10.542 1.00 0.00 O ATOM 454 CB THR A 83 -10.155 8.463 -9.090 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.576 9.727 -8.553 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.155 7.352 -8.763 1.00 0.00 C ATOM 0 H THR A 83 -9.539 8.974 -6.746 1.00 0.00 H new ATOM 0 HA THR A 83 -8.513 7.103 -8.643 1.00 0.00 H new ATOM 0 HB THR A 83 -10.109 8.518 -10.178 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.464 9.952 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.129 7.605 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.808 6.412 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.241 7.247 -7.682 1.00 0.00 H new ATOM 457 N ASP A 84 -6.818 9.529 -8.568 1.00 0.00 N ATOM 458 CA ASP A 84 -5.508 9.996 -9.056 1.00 0.00 C ATOM 459 C ASP A 84 -4.353 9.175 -8.425 1.00 0.00 C ATOM 460 O ASP A 84 -3.233 9.639 -8.246 1.00 0.00 O ATOM 461 CB ASP A 84 -5.311 11.478 -8.739 1.00 0.00 C ATOM 462 CG ASP A 84 -6.201 12.399 -9.581 1.00 0.00 C ATOM 463 OD1 ASP A 84 -5.799 12.680 -10.734 1.00 0.00 O ATOM 464 OD2 ASP A 84 -7.225 12.859 -9.027 1.00 0.00 O ATOM 0 H ASP A 84 -6.975 9.730 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.490 9.855 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.520 11.648 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.267 11.743 -8.904 1.00 0.00 H new ATOM 465 N GLY A 85 -4.702 7.925 -8.115 1.00 0.00 N ATOM 466 CA GLY A 85 -3.921 6.937 -7.353 1.00 0.00 C ATOM 467 C GLY A 85 -3.248 7.439 -6.075 1.00 0.00 C ATOM 468 O GLY A 85 -2.328 6.784 -5.581 1.00 0.00 O ATOM 0 H GLY A 85 -5.602 7.545 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.581 6.110 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.150 6.533 -8.009 1.00 0.00 H new ATOM 469 N LEU A 86 -3.925 8.359 -5.411 1.00 0.00 N ATOM 470 CA LEU A 86 -3.340 9.016 -4.245 1.00 0.00 C ATOM 471 C LEU A 86 -3.848 8.307 -2.998 1.00 0.00 C ATOM 472 O LEU A 86 -5.034 8.356 -2.679 1.00 0.00 O ATOM 473 CB LEU A 86 -3.652 10.513 -4.264 1.00 0.00 C ATOM 474 CG LEU A 86 -2.790 11.337 -3.292 1.00 0.00 C ATOM 475 CD1 LEU A 86 -3.370 11.351 -1.868 1.00 0.00 C ATOM 476 CD2 LEU A 86 -1.293 11.001 -3.299 1.00 0.00 C ATOM 0 H LEU A 86 -4.867 8.668 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.253 8.943 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.507 10.893 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.703 10.659 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.842 12.352 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.727 11.945 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.369 11.787 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.426 10.331 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.774 11.636 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.154 9.955 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.886 11.173 -4.295 1.00 0.00 H new ATOM 477 N LEU A 87 -2.950 7.494 -2.450 1.00 0.00 N ATOM 478 CA LEU A 87 -3.244 6.752 -1.222 1.00 0.00 C ATOM 479 C LEU A 87 -3.135 7.674 -0.003 1.00 0.00 C ATOM 480 O LEU A 87 -2.175 8.415 0.225 1.00 0.00 O ATOM 481 CB LEU A 87 -2.373 5.527 -1.000 1.00 0.00 C ATOM 482 CG LEU A 87 -2.537 4.413 -2.036 1.00 0.00 C ATOM 483 CD1 LEU A 87 -1.706 4.681 -3.293 1.00 0.00 C ATOM 484 CD2 LEU A 87 -2.054 3.087 -1.440 1.00 0.00 C ATOM 0 H LEU A 87 -2.018 7.331 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.264 6.388 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.329 5.841 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.593 5.119 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.593 4.372 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.849 3.868 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.024 5.620 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.652 4.747 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.171 2.293 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.003 3.174 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.644 2.850 -0.555 1.00 0.00 H new ATOM 485 N TYR A 88 -4.267 7.654 0.657 1.00 0.00 N ATOM 486 CA TYR A 88 -4.518 8.339 1.943 1.00 0.00 C ATOM 487 C TYR A 88 -4.958 7.347 3.019 1.00 0.00 C ATOM 488 O TYR A 88 -5.366 6.211 2.744 1.00 0.00 O ATOM 489 CB TYR A 88 -5.549 9.470 1.801 1.00 0.00 C ATOM 490 CG TYR A 88 -6.876 9.054 1.156 1.00 0.00 C ATOM 491 CD1 TYR A 88 -7.892 8.451 1.932 1.00 0.00 C ATOM 492 CD2 TYR A 88 -6.970 9.144 -0.252 1.00 0.00 C ATOM 493 CE1 TYR A 88 -8.987 7.867 1.269 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.064 8.551 -0.903 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.050 7.898 -0.132 1.00 0.00 C ATOM 496 OH TYR A 88 -10.003 7.177 -0.778 1.00 0.00 O ATOM 0 H TYR A 88 -5.083 7.146 0.317 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.575 8.789 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.755 9.881 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.109 10.272 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.829 8.439 3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.211 9.662 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.776 7.397 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.150 8.594 -1.979 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.616 6.766 -1.579 1.00 0.00 H new ATOM 497 N GLY A 89 -4.784 7.814 4.246 1.00 0.00 N ATOM 498 CA GLY A 89 -5.186 7.127 5.473 1.00 0.00 C ATOM 499 C GLY A 89 -6.609 7.559 5.835 1.00 0.00 C ATOM 500 O GLY A 89 -6.842 8.687 6.254 1.00 0.00 O ATOM 0 H GLY A 89 -4.343 8.716 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.143 6.047 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.500 7.370 6.284 1.00 0.00 H new ATOM 501 N SER A 90 -7.520 6.661 5.492 1.00 0.00 N ATOM 502 CA SER A 90 -8.960 6.899 5.682 1.00 0.00 C ATOM 503 C SER A 90 -9.540 6.364 6.978 1.00 0.00 C ATOM 504 O SER A 90 -9.276 5.271 7.462 1.00 0.00 O ATOM 505 CB SER A 90 -9.706 6.347 4.474 1.00 0.00 C ATOM 506 OG SER A 90 -11.127 6.484 4.576 1.00 0.00 O ATOM 0 H SER A 90 -7.296 5.756 5.079 1.00 0.00 H new ATOM 0 HA SER A 90 -9.091 7.978 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.362 6.861 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.457 5.293 4.352 1.00 0.00 H new ATOM 0 HG SER A 90 -11.545 5.599 4.529 1.00 0.00 H new ATOM 507 N GLN A 91 -10.502 7.173 7.347 1.00 0.00 N ATOM 508 CA GLN A 91 -11.452 7.020 8.452 1.00 0.00 C ATOM 509 C GLN A 91 -12.319 5.769 8.206 1.00 0.00 C ATOM 510 O GLN A 91 -12.668 5.025 9.126 1.00 0.00 O ATOM 511 CB GLN A 91 -12.376 8.214 8.369 1.00 0.00 C ATOM 512 CG GLN A 91 -11.697 9.563 8.531 1.00 0.00 C ATOM 513 CD GLN A 91 -11.081 10.100 7.228 1.00 0.00 C ATOM 514 OE1 GLN A 91 -11.752 10.359 6.247 1.00 0.00 O ATOM 515 NE2 GLN A 91 -9.766 10.126 7.148 1.00 0.00 N ATOM 0 H GLN A 91 -10.666 8.043 6.840 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.934 6.938 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.886 8.194 7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.143 8.115 9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.424 10.284 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.915 9.479 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.201 9.909 7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.313 10.363 6.265 1.00 0.00 H new ATOM 516 N THR A 92 -12.661 5.582 6.932 1.00 0.00 N ATOM 517 CA THR A 92 -13.697 4.644 6.494 1.00 0.00 C ATOM 518 C THR A 92 -13.104 3.576 5.570 1.00 0.00 C ATOM 519 O THR A 92 -12.253 3.876 4.718 1.00 0.00 O ATOM 520 CB THR A 92 -14.824 5.399 5.748 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.327 5.871 4.493 1.00 0.00 O ATOM 522 CG2 THR A 92 -15.379 6.571 6.564 1.00 0.00 C ATOM 0 H THR A 92 -12.220 6.085 6.162 1.00 0.00 H new ATOM 0 HA THR A 92 -14.110 4.159 7.379 1.00 0.00 H new ATOM 0 HB THR A 92 -15.645 4.700 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.039 6.348 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.167 7.068 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 92 -15.787 6.199 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 92 -14.578 7.281 6.772 1.00 0.00 H new ATOM 523 N PRO A 93 -13.489 2.327 5.809 1.00 0.00 N ATOM 524 CA PRO A 93 -13.268 1.222 4.859 1.00 0.00 C ATOM 525 C PRO A 93 -14.223 1.402 3.673 1.00 0.00 C ATOM 526 O PRO A 93 -15.423 1.628 3.843 1.00 0.00 O ATOM 527 CB PRO A 93 -13.594 -0.030 5.673 1.00 0.00 C ATOM 528 CG PRO A 93 -14.569 0.432 6.751 1.00 0.00 C ATOM 529 CD PRO A 93 -14.056 1.827 7.087 1.00 0.00 C ATOM 0 HA PRO A 93 -12.260 1.173 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.039 -0.802 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.694 -0.457 6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.596 0.455 6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.554 -0.226 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.860 2.471 7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.300 1.795 7.872 1.00 0.00 H new ATOM 530 N ASN A 94 -13.655 1.437 2.469 1.00 0.00 N ATOM 531 CA ASN A 94 -14.458 1.650 1.262 1.00 0.00 C ATOM 532 C ASN A 94 -13.978 0.754 0.105 1.00 0.00 C ATOM 533 O ASN A 94 -12.882 0.187 0.153 1.00 0.00 O ATOM 534 CB ASN A 94 -14.431 3.138 0.882 1.00 0.00 C ATOM 535 CG ASN A 94 -13.014 3.694 0.698 1.00 0.00 C ATOM 536 OD1 ASN A 94 -12.207 3.147 -0.049 1.00 0.00 O ATOM 537 ND2 ASN A 94 -12.643 4.638 1.516 1.00 0.00 N ATOM 0 H ASN A 94 -12.655 1.323 2.302 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.490 1.366 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.992 3.280 -0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.941 3.712 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.667 4.935 1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.328 5.080 2.129 1.00 0.00 H new ATOM 538 N GLU A 95 -14.734 0.881 -0.979 1.00 0.00 N ATOM 539 CA GLU A 95 -14.520 0.210 -2.280 1.00 0.00 C ATOM 540 C GLU A 95 -13.115 0.425 -2.898 1.00 0.00 C ATOM 541 O GLU A 95 -12.604 -0.470 -3.566 1.00 0.00 O ATOM 542 CB GLU A 95 -15.637 0.693 -3.225 1.00 0.00 C ATOM 543 CG GLU A 95 -15.729 -0.102 -4.541 1.00 0.00 C ATOM 544 CD GLU A 95 -16.816 0.473 -5.466 1.00 0.00 C ATOM 545 OE1 GLU A 95 -16.626 1.617 -5.932 1.00 0.00 O ATOM 546 OE2 GLU A 95 -17.832 -0.229 -5.654 1.00 0.00 O ATOM 0 H GLU A 95 -15.558 1.483 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.564 -0.868 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.593 0.628 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.472 1.745 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.766 -0.079 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.950 -1.147 -4.323 1.00 0.00 H new ATOM 547 N GLU A 96 -12.434 1.500 -2.492 1.00 0.00 N ATOM 548 CA GLU A 96 -11.086 1.839 -3.001 1.00 0.00 C ATOM 549 C GLU A 96 -9.965 1.266 -2.137 1.00 0.00 C ATOM 550 O GLU A 96 -8.925 0.855 -2.643 1.00 0.00 O ATOM 551 CB GLU A 96 -10.862 3.345 -3.089 1.00 0.00 C ATOM 552 CG GLU A 96 -11.700 3.991 -4.195 1.00 0.00 C ATOM 553 CD GLU A 96 -11.281 5.421 -4.517 1.00 0.00 C ATOM 554 OE1 GLU A 96 -11.735 6.336 -3.787 1.00 0.00 O ATOM 555 OE2 GLU A 96 -10.576 5.591 -5.543 1.00 0.00 O ATOM 0 H GLU A 96 -12.793 2.163 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.051 1.392 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.111 3.804 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.806 3.543 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.624 3.386 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.748 3.986 -3.896 1.00 0.00 H new ATOM 556 N CYS A 97 -10.250 1.237 -0.840 1.00 0.00 N ATOM 557 CA CYS A 97 -9.366 0.686 0.187 1.00 0.00 C ATOM 558 C CYS A 97 -9.131 -0.823 0.044 1.00 0.00 C ATOM 559 O CYS A 97 -8.152 -1.377 0.554 1.00 0.00 O ATOM 560 CB CYS A 97 -9.946 0.968 1.580 1.00 0.00 C ATOM 561 SG CYS A 97 -8.933 0.426 3.002 1.00 0.00 S ATOM 0 H CYS A 97 -11.123 1.604 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.402 1.178 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.116 2.041 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.920 0.484 1.650 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.681 0.687 2.768 1.00 0.00 H new ATOM 562 N LEU A 98 -10.073 -1.464 -0.629 1.00 0.00 N ATOM 563 CA LEU A 98 -10.012 -2.901 -0.975 1.00 0.00 C ATOM 564 C LEU A 98 -8.868 -3.190 -1.935 1.00 0.00 C ATOM 565 O LEU A 98 -8.880 -2.831 -3.113 1.00 0.00 O ATOM 566 CB LEU A 98 -11.382 -3.265 -1.542 1.00 0.00 C ATOM 567 CG LEU A 98 -12.320 -3.497 -0.365 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.767 -3.178 -0.742 1.00 0.00 C ATOM 569 CD2 LEU A 98 -12.221 -4.890 0.244 1.00 0.00 C ATOM 0 H LEU A 98 -10.921 -1.005 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.800 -3.518 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.758 -2.464 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.315 -4.160 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.988 -2.805 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.414 -3.353 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.842 -2.134 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.078 -3.819 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.920 -4.974 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.465 -5.636 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.206 -5.058 0.605 1.00 0.00 H new ATOM 570 N PHE A 99 -7.843 -3.740 -1.315 1.00 0.00 N ATOM 571 CA PHE A 99 -6.558 -4.018 -1.987 1.00 0.00 C ATOM 572 C PHE A 99 -6.264 -5.510 -2.037 1.00 0.00 C ATOM 573 O PHE A 99 -6.062 -6.190 -1.025 1.00 0.00 O ATOM 574 CB PHE A 99 -5.399 -3.311 -1.300 1.00 0.00 C ATOM 575 CG PHE A 99 -5.473 -1.771 -1.260 1.00 0.00 C ATOM 576 CD1 PHE A 99 -6.135 -1.074 -2.309 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.633 -1.081 -0.367 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.948 0.307 -2.469 1.00 0.00 C ATOM 579 CE2 PHE A 99 -4.434 0.304 -0.533 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.100 0.992 -1.580 1.00 0.00 C ATOM 0 H PHE A 99 -7.862 -4.012 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.656 -3.637 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.331 -3.678 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.475 -3.597 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.784 -1.611 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.145 -1.608 0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.449 0.838 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.776 0.840 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.954 2.056 -1.696 1.00 0.00 H new ATOM 581 N LEU A 100 -6.381 -6.002 -3.248 1.00 0.00 N ATOM 582 CA LEU A 100 -6.232 -7.412 -3.582 1.00 0.00 C ATOM 583 C LEU A 100 -4.787 -7.905 -3.497 1.00 0.00 C ATOM 584 O LEU A 100 -3.929 -7.447 -4.251 1.00 0.00 O ATOM 585 CB LEU A 100 -6.833 -7.677 -4.961 1.00 0.00 C ATOM 586 CG LEU A 100 -7.708 -8.896 -4.811 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.018 -8.769 -5.593 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.012 -10.216 -5.195 1.00 0.00 C ATOM 0 H LEU A 100 -6.589 -5.419 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.777 -7.985 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.414 -6.821 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.051 -7.848 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.927 -8.939 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.614 -9.671 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.576 -7.906 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.798 -8.639 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.706 -11.046 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.698 -10.172 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.140 -10.366 -4.559 1.00 0.00 H new ATOM 589 N GLU A 101 -4.552 -8.589 -2.389 1.00 0.00 N ATOM 590 CA GLU A 101 -3.260 -9.260 -2.129 1.00 0.00 C ATOM 591 C GLU A 101 -2.859 -10.250 -3.224 1.00 0.00 C ATOM 592 O GLU A 101 -3.108 -11.455 -3.177 1.00 0.00 O ATOM 593 CB GLU A 101 -3.216 -9.985 -0.791 1.00 0.00 C ATOM 594 CG GLU A 101 -3.439 -9.061 0.405 1.00 0.00 C ATOM 595 CD GLU A 101 -3.027 -9.741 1.703 1.00 0.00 C ATOM 596 OE1 GLU A 101 -3.842 -10.550 2.196 1.00 0.00 O ATOM 597 OE2 GLU A 101 -1.888 -9.462 2.150 1.00 0.00 O ATOM 0 H GLU A 101 -5.237 -8.703 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.545 -8.438 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.976 -10.767 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.250 -10.479 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.865 -8.144 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.490 -8.775 0.457 1.00 0.00 H new ATOM 598 N ARG A 102 -2.064 -9.702 -4.113 1.00 0.00 N ATOM 599 CA ARG A 102 -1.555 -10.380 -5.306 1.00 0.00 C ATOM 600 C ARG A 102 -0.064 -10.700 -5.119 1.00 0.00 C ATOM 601 O ARG A 102 0.841 -10.067 -5.671 1.00 0.00 O ATOM 602 CB ARG A 102 -1.887 -9.455 -6.474 1.00 0.00 C ATOM 603 CG ARG A 102 -1.703 -10.046 -7.882 1.00 0.00 C ATOM 604 CD ARG A 102 -2.715 -11.149 -8.244 1.00 0.00 C ATOM 605 NE ARG A 102 -2.309 -12.440 -7.665 1.00 0.00 N ATOM 606 CZ ARG A 102 -3.030 -13.231 -6.861 1.00 0.00 C ATOM 607 NH1 ARG A 102 -4.043 -12.782 -6.144 1.00 0.00 N ATOM 608 NH2 ARG A 102 -2.494 -14.370 -6.469 1.00 0.00 N ATOM 0 H ARG A 102 -1.736 -8.739 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.012 -11.351 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.923 -9.131 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.265 -8.564 -6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.782 -9.242 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.695 -10.453 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.704 -10.876 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.790 -11.239 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.373 -12.769 -7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.303 -11.797 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.566 -13.420 -5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.556 -14.626 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.017 -14.996 -5.856 1.00 0.00 H new ATOM 609 N LEU A 103 0.133 -11.454 -4.050 1.00 0.00 N ATOM 610 CA LEU A 103 1.435 -11.989 -3.636 1.00 0.00 C ATOM 611 C LEU A 103 1.873 -13.064 -4.628 1.00 0.00 C ATOM 612 O LEU A 103 1.274 -14.131 -4.783 1.00 0.00 O ATOM 613 CB LEU A 103 1.387 -12.516 -2.194 1.00 0.00 C ATOM 614 CG LEU A 103 2.770 -12.891 -1.618 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.743 -12.799 -0.091 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.260 -14.278 -2.045 1.00 0.00 C ATOM 0 H LEU A 103 -0.626 -11.723 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 103 2.175 -11.189 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.932 -11.759 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.740 -13.393 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 103 3.478 -12.172 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.722 -13.065 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.494 -11.781 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.993 -13.486 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.237 -14.471 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.552 -15.034 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.340 -14.317 -3.131 1.00 0.00 H new ATOM 617 N GLU A 104 2.999 -12.738 -5.226 1.00 0.00 N ATOM 618 CA GLU A 104 3.630 -13.577 -6.257 1.00 0.00 C ATOM 619 C GLU A 104 4.943 -14.205 -5.783 1.00 0.00 C ATOM 620 O GLU A 104 5.715 -13.617 -5.024 1.00 0.00 O ATOM 621 CB GLU A 104 3.876 -12.721 -7.494 1.00 0.00 C ATOM 622 CG GLU A 104 2.824 -12.951 -8.589 1.00 0.00 C ATOM 623 CD GLU A 104 1.466 -12.321 -8.269 1.00 0.00 C ATOM 624 OE1 GLU A 104 1.368 -11.092 -8.421 1.00 0.00 O ATOM 625 OE2 GLU A 104 0.534 -13.105 -7.962 1.00 0.00 O ATOM 0 H GLU A 104 3.515 -11.883 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 104 2.955 -14.402 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.875 -11.669 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.866 -12.942 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.194 -12.542 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.693 -14.023 -8.737 1.00 0.00 H new ATOM 626 N GLU A 105 5.192 -15.403 -6.311 1.00 0.00 N ATOM 627 CA GLU A 105 6.387 -16.231 -6.047 1.00 0.00 C ATOM 628 C GLU A 105 7.761 -15.536 -6.084 1.00 0.00 C ATOM 629 O GLU A 105 8.713 -16.002 -5.460 1.00 0.00 O ATOM 630 CB GLU A 105 6.380 -17.533 -6.873 1.00 0.00 C ATOM 631 CG GLU A 105 6.084 -17.385 -8.369 1.00 0.00 C ATOM 632 CD GLU A 105 7.120 -16.560 -9.130 1.00 0.00 C ATOM 633 OE1 GLU A 105 8.251 -17.055 -9.279 1.00 0.00 O ATOM 634 OE2 GLU A 105 6.754 -15.419 -9.495 1.00 0.00 O ATOM 0 H GLU A 105 4.545 -15.849 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 105 6.274 -16.470 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.352 -18.014 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.640 -18.207 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.025 -18.377 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.105 -16.921 -8.491 1.00 0.00 H new ATOM 635 N ASN A 106 7.856 -14.419 -6.805 1.00 0.00 N ATOM 636 CA ASN A 106 9.002 -13.488 -6.725 1.00 0.00 C ATOM 637 C ASN A 106 9.044 -12.690 -5.407 1.00 0.00 C ATOM 638 O ASN A 106 9.426 -11.522 -5.376 1.00 0.00 O ATOM 639 CB ASN A 106 9.002 -12.553 -7.960 1.00 0.00 C ATOM 640 CG ASN A 106 7.637 -11.918 -8.241 1.00 0.00 C ATOM 641 OD1 ASN A 106 6.785 -12.488 -8.902 1.00 0.00 O ATOM 642 ND2 ASN A 106 7.396 -10.743 -7.694 1.00 0.00 N ATOM 0 H ASN A 106 7.139 -14.125 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 106 9.913 -14.087 -6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.738 -11.763 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.318 -13.120 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.487 -10.298 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.119 -10.279 -7.144 1.00 0.00 H new ATOM 643 N HIS A 107 8.755 -13.385 -4.304 1.00 0.00 N ATOM 644 CA HIS A 107 8.678 -12.952 -2.895 1.00 0.00 C ATOM 645 C HIS A 107 7.706 -11.830 -2.529 1.00 0.00 C ATOM 646 O HIS A 107 6.984 -11.905 -1.527 1.00 0.00 O ATOM 647 CB HIS A 107 10.097 -12.668 -2.410 1.00 0.00 C ATOM 648 CG HIS A 107 10.865 -13.955 -2.136 1.00 0.00 C ATOM 649 ND1 HIS A 107 11.217 -14.889 -3.016 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.253 -14.371 -0.935 1.00 0.00 C ATOM 651 CE1 HIS A 107 11.808 -15.880 -2.371 1.00 0.00 C ATOM 652 NE2 HIS A 107 11.830 -15.561 -1.081 1.00 0.00 N ATOM 0 H HIS A 107 8.544 -14.380 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 107 8.217 -13.786 -2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.627 -12.080 -3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.058 -12.067 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.123 -13.838 -0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.201 -16.784 -2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.222 -16.131 -0.331 1.00 0.00 H new ATOM 653 N TYR A 108 7.686 -10.826 -3.384 1.00 0.00 N ATOM 654 CA TYR A 108 6.858 -9.620 -3.269 1.00 0.00 C ATOM 655 C TYR A 108 5.352 -9.897 -3.252 1.00 0.00 C ATOM 656 O TYR A 108 4.795 -10.670 -4.041 1.00 0.00 O ATOM 657 CB TYR A 108 7.175 -8.609 -4.383 1.00 0.00 C ATOM 658 CG TYR A 108 8.595 -8.057 -4.254 1.00 0.00 C ATOM 659 CD1 TYR A 108 8.899 -7.191 -3.191 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.605 -8.668 -5.027 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.240 -6.950 -2.856 1.00 0.00 C ATOM 662 CE2 TYR A 108 10.945 -8.449 -4.693 1.00 0.00 C ATOM 663 CZ TYR A 108 11.242 -7.587 -3.614 1.00 0.00 C ATOM 664 OH TYR A 108 12.535 -7.217 -3.456 1.00 0.00 O ATOM 0 H TYR A 108 8.270 -10.819 -4.220 1.00 0.00 H new ATOM 0 HA TYR A 108 7.119 -9.197 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.057 -9.089 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.460 -7.788 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.106 -6.714 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.346 -9.297 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.497 -6.293 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.737 -8.929 -5.249 1.00 0.00 H new ATOM 0 HH TYR A 108 13.103 -7.751 -4.050 1.00 0.00 H new ATOM 665 N ASN A 109 4.760 -8.971 -2.530 1.00 0.00 N ATOM 666 CA ASN A 109 3.304 -8.867 -2.355 1.00 0.00 C ATOM 667 C ASN A 109 2.862 -7.566 -3.017 1.00 0.00 C ATOM 668 O ASN A 109 3.424 -6.488 -2.798 1.00 0.00 O ATOM 669 CB ASN A 109 2.907 -8.852 -0.878 1.00 0.00 C ATOM 670 CG ASN A 109 1.399 -9.058 -0.623 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.552 -9.053 -1.507 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.061 -9.291 0.620 1.00 0.00 N ATOM 0 H ASN A 109 5.278 -8.247 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 109 2.821 -9.734 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.461 -9.633 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.210 -7.900 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.086 -9.470 0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.773 -9.293 1.350 1.00 0.00 H new ATOM 673 N THR A 110 1.785 -7.709 -3.763 1.00 0.00 N ATOM 674 CA THR A 110 1.233 -6.571 -4.516 1.00 0.00 C ATOM 675 C THR A 110 -0.248 -6.360 -4.193 1.00 0.00 C ATOM 676 O THR A 110 -0.945 -7.283 -3.783 1.00 0.00 O ATOM 677 CB THR A 110 1.454 -6.622 -6.039 1.00 0.00 C ATOM 678 OG1 THR A 110 0.593 -7.580 -6.666 1.00 0.00 O ATOM 679 CG2 THR A 110 2.914 -6.868 -6.408 1.00 0.00 C ATOM 0 H THR A 110 1.272 -8.584 -3.872 1.00 0.00 H new ATOM 0 HA THR A 110 1.810 -5.712 -4.174 1.00 0.00 H new ATOM 0 HB THR A 110 1.191 -5.636 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.789 -8.474 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.015 -6.895 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.531 -6.065 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.240 -7.820 -5.989 1.00 0.00 H new ATOM 680 N TYR A 111 -0.677 -5.124 -4.346 1.00 0.00 N ATOM 681 CA TYR A 111 -2.049 -4.739 -3.976 1.00 0.00 C ATOM 682 C TYR A 111 -2.746 -4.065 -5.142 1.00 0.00 C ATOM 683 O TYR A 111 -2.492 -2.909 -5.472 1.00 0.00 O ATOM 684 CB TYR A 111 -2.074 -3.815 -2.746 1.00 0.00 C ATOM 685 CG TYR A 111 -1.518 -4.503 -1.509 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.252 -5.542 -0.902 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.263 -4.076 -1.018 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.700 -6.187 0.225 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.285 -4.730 0.111 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.449 -5.769 0.718 1.00 0.00 C ATOM 691 OH TYR A 111 0.026 -6.339 1.851 1.00 0.00 O ATOM 0 H TYR A 111 -0.110 -4.364 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.582 -5.654 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.492 -2.917 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.098 -3.494 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.215 -5.838 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.268 -3.266 -1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.232 -6.994 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.249 -4.438 0.501 1.00 0.00 H new ATOM 0 HH TYR A 111 0.899 -5.952 2.070 1.00 0.00 H new ATOM 692 N ILE A 112 -3.510 -4.903 -5.828 1.00 0.00 N ATOM 693 CA ILE A 112 -4.333 -4.442 -6.954 1.00 0.00 C ATOM 694 C ILE A 112 -5.679 -3.966 -6.394 1.00 0.00 C ATOM 695 O ILE A 112 -6.397 -4.714 -5.737 1.00 0.00 O ATOM 696 CB ILE A 112 -4.400 -5.473 -8.106 1.00 0.00 C ATOM 697 CG1 ILE A 112 -5.414 -5.101 -9.192 1.00 0.00 C ATOM 698 CG2 ILE A 112 -4.644 -6.924 -7.693 1.00 0.00 C ATOM 699 CD1 ILE A 112 -5.012 -3.815 -9.899 1.00 0.00 C ATOM 0 H ILE A 112 -3.582 -5.901 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.872 -3.587 -7.449 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.387 -5.421 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.488 -5.911 -9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.401 -4.981 -8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -4.672 -7.555 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.839 -7.256 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.595 -6.997 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.750 -3.575 -10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.963 -3.002 -9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.035 -3.946 -10.365 1.00 0.00 H new ATOM 700 N SER A 113 -5.859 -2.646 -6.438 1.00 0.00 N ATOM 701 CA SER A 113 -7.080 -2.002 -5.917 1.00 0.00 C ATOM 702 C SER A 113 -8.311 -2.559 -6.656 1.00 0.00 C ATOM 703 O SER A 113 -8.487 -2.340 -7.854 1.00 0.00 O ATOM 704 CB SER A 113 -7.102 -0.485 -6.049 1.00 0.00 C ATOM 705 OG SER A 113 -8.333 0.030 -5.514 1.00 0.00 O ATOM 0 H SER A 113 -5.178 -1.995 -6.828 1.00 0.00 H new ATOM 0 HA SER A 113 -7.096 -2.231 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.254 -0.052 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.002 -0.200 -7.096 1.00 0.00 H new ATOM 0 HG SER A 113 -8.220 0.220 -4.559 1.00 0.00 H new ATOM 706 N LYS A 114 -9.096 -3.288 -5.875 1.00 0.00 N ATOM 707 CA LYS A 114 -10.313 -4.007 -6.309 1.00 0.00 C ATOM 708 C LYS A 114 -11.116 -3.246 -7.387 1.00 0.00 C ATOM 709 O LYS A 114 -11.257 -3.718 -8.519 1.00 0.00 O ATOM 710 CB LYS A 114 -11.185 -4.260 -5.077 1.00 0.00 C ATOM 711 CG LYS A 114 -12.558 -4.883 -5.353 1.00 0.00 C ATOM 712 CD LYS A 114 -13.644 -4.042 -4.686 1.00 0.00 C ATOM 713 CE LYS A 114 -15.051 -4.622 -4.856 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.508 -4.527 -6.248 1.00 0.00 N ATOM 0 H LYS A 114 -8.906 -3.407 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.006 -4.945 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.640 -4.914 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.334 -3.313 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.735 -4.938 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.589 -5.904 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.422 -3.952 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.621 -3.035 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.056 -5.665 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.746 -4.090 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.464 -4.929 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.526 -3.529 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -14.858 -5.056 -6.864 1.00 0.00 H new ATOM 715 N LYS A 115 -11.462 -2.002 -7.057 1.00 0.00 N ATOM 716 CA LYS A 115 -12.304 -1.115 -7.889 1.00 0.00 C ATOM 717 C LYS A 115 -11.755 -0.908 -9.318 1.00 0.00 C ATOM 718 O LYS A 115 -12.486 -1.053 -10.294 1.00 0.00 O ATOM 719 CB LYS A 115 -12.431 0.228 -7.175 1.00 0.00 C ATOM 720 CG LYS A 115 -13.575 1.066 -7.756 1.00 0.00 C ATOM 721 CD LYS A 115 -13.639 2.471 -7.173 1.00 0.00 C ATOM 722 CE LYS A 115 -12.956 3.540 -8.046 1.00 0.00 C ATOM 723 NZ LYS A 115 -11.487 3.443 -8.026 1.00 0.00 N ATOM 0 H LYS A 115 -11.162 -1.564 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.276 -1.593 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.604 0.061 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.494 0.778 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.456 1.132 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -14.521 0.558 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.684 2.747 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.172 2.467 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.308 3.442 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -13.255 4.530 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.077 4.296 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.158 3.359 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.187 2.605 -8.564 1.00 0.00 H new ATOM 724 N HIS A 116 -10.447 -0.685 -9.405 1.00 0.00 N ATOM 725 CA HIS A 116 -9.771 -0.451 -10.695 1.00 0.00 C ATOM 726 C HIS A 116 -8.883 -1.628 -11.131 1.00 0.00 C ATOM 727 O HIS A 116 -7.901 -1.453 -11.849 1.00 0.00 O ATOM 728 CB HIS A 116 -8.955 0.846 -10.602 1.00 0.00 C ATOM 729 CG HIS A 116 -9.732 2.157 -10.747 1.00 0.00 C ATOM 730 ND1 HIS A 116 -9.199 3.357 -10.558 1.00 0.00 N ATOM 731 CD2 HIS A 116 -10.954 2.334 -11.239 1.00 0.00 C ATOM 732 CE1 HIS A 116 -10.064 4.275 -10.942 1.00 0.00 C ATOM 733 NE2 HIS A 116 -11.169 3.646 -11.343 1.00 0.00 N ATOM 0 H HIS A 116 -9.824 -0.660 -8.598 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.538 -0.357 -11.463 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.443 0.858 -9.640 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.185 0.820 -11.373 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.650 1.553 -11.507 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.906 5.343 -10.933 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -12.027 4.090 -11.671 1.00 0.00 H new ATOM 734 N ALA A 117 -9.402 -2.836 -10.903 1.00 0.00 N ATOM 735 CA ALA A 117 -8.657 -4.085 -11.177 1.00 0.00 C ATOM 736 C ALA A 117 -8.279 -4.349 -12.636 1.00 0.00 C ATOM 737 O ALA A 117 -7.130 -4.642 -12.949 1.00 0.00 O ATOM 738 CB ALA A 117 -9.409 -5.294 -10.596 1.00 0.00 C ATOM 0 H ALA A 117 -10.339 -2.985 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.700 -3.938 -10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.849 -6.206 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.515 -5.173 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.397 -5.362 -11.052 1.00 0.00 H new ATOM 739 N GLU A 118 -9.174 -3.917 -13.513 1.00 0.00 N ATOM 740 CA GLU A 118 -9.036 -4.040 -14.984 1.00 0.00 C ATOM 741 C GLU A 118 -8.261 -2.882 -15.633 1.00 0.00 C ATOM 742 O GLU A 118 -7.786 -2.976 -16.758 1.00 0.00 O ATOM 743 CB GLU A 118 -10.385 -4.263 -15.684 1.00 0.00 C ATOM 744 CG GLU A 118 -11.382 -3.096 -15.652 1.00 0.00 C ATOM 745 CD GLU A 118 -12.046 -2.913 -14.274 1.00 0.00 C ATOM 746 OE1 GLU A 118 -13.038 -3.623 -14.026 1.00 0.00 O ATOM 747 OE2 GLU A 118 -11.459 -2.141 -13.476 1.00 0.00 O ATOM 0 H GLU A 118 -10.040 -3.459 -13.230 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.431 -4.935 -15.132 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.189 -4.514 -16.726 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.863 -5.131 -15.231 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.866 -2.176 -15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.154 -3.264 -16.403 1.00 0.00 H new ATOM 748 N LYS A 119 -8.173 -1.818 -14.862 1.00 0.00 N ATOM 749 CA LYS A 119 -7.312 -0.659 -15.140 1.00 0.00 C ATOM 750 C LYS A 119 -5.936 -0.840 -14.492 1.00 0.00 C ATOM 751 O LYS A 119 -5.035 -0.032 -14.715 1.00 0.00 O ATOM 752 CB LYS A 119 -8.083 0.541 -14.606 1.00 0.00 C ATOM 753 CG LYS A 119 -7.774 1.790 -15.423 1.00 0.00 C ATOM 754 CD LYS A 119 -8.570 2.939 -14.821 1.00 0.00 C ATOM 755 CE LYS A 119 -8.322 4.232 -15.584 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.869 5.292 -14.739 1.00 0.00 N ATOM 0 H LYS A 119 -8.708 -1.721 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.099 -0.528 -16.201 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.153 0.335 -14.638 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.823 0.711 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.707 2.009 -15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.046 1.641 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.633 2.699 -14.840 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.292 3.070 -13.775 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.258 4.384 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.811 4.214 -16.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.732 6.212 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.885 5.127 -14.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.380 5.292 -13.821 1.00 0.00 H new ATOM 757 N ASN A 120 -5.740 -1.981 -13.828 1.00 0.00 N ATOM 758 CA ASN A 120 -4.491 -2.367 -13.150 1.00 0.00 C ATOM 759 C ASN A 120 -3.893 -1.302 -12.211 1.00 0.00 C ATOM 760 O ASN A 120 -2.680 -1.077 -12.159 1.00 0.00 O ATOM 761 CB ASN A 120 -3.514 -2.900 -14.186 1.00 0.00 C ATOM 762 CG ASN A 120 -3.896 -4.320 -14.588 1.00 0.00 C ATOM 763 OD1 ASN A 120 -3.260 -5.299 -14.223 1.00 0.00 O ATOM 764 ND2 ASN A 120 -4.941 -4.444 -15.372 1.00 0.00 N ATOM 0 H ASN A 120 -6.469 -2.689 -13.742 1.00 0.00 H new ATOM 0 HA ASN A 120 -4.732 -3.164 -12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.514 -2.253 -15.063 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.502 -2.888 -13.782 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.235 -5.368 -15.687 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.459 -3.616 -15.666 1.00 0.00 H new ATOM 765 N TRP A 121 -4.789 -0.741 -11.406 1.00 0.00 N ATOM 766 CA TRP A 121 -4.388 0.219 -10.369 1.00 0.00 C ATOM 767 C TRP A 121 -3.873 -0.481 -9.122 1.00 0.00 C ATOM 768 O TRP A 121 -4.569 -0.831 -8.158 1.00 0.00 O ATOM 769 CB TRP A 121 -5.487 1.247 -10.085 1.00 0.00 C ATOM 770 CG TRP A 121 -5.561 2.295 -11.203 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.409 2.133 -12.524 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.780 3.652 -10.991 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.504 3.301 -13.149 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.745 4.240 -12.258 1.00 0.00 C ATOM 775 CE3 TRP A 121 -5.987 4.423 -9.827 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.901 5.624 -12.413 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.259 5.795 -9.991 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.220 6.400 -11.272 1.00 0.00 C ATOM 0 H TRP A 121 -5.791 -0.928 -11.446 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.545 0.791 -10.757 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.448 0.741 -9.992 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.292 1.739 -9.132 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.234 1.186 -13.012 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.406 3.447 -14.154 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -5.938 3.976 -8.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.781 6.088 -13.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.501 6.396 -9.127 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.434 7.453 -11.378 1.00 0.00 H new ATOM 779 N PHE A 122 -2.582 -0.670 -9.237 1.00 0.00 N ATOM 780 CA PHE A 122 -1.697 -1.370 -8.301 1.00 0.00 C ATOM 781 C PHE A 122 -0.972 -0.313 -7.459 1.00 0.00 C ATOM 782 O PHE A 122 -0.810 0.796 -7.934 1.00 0.00 O ATOM 783 CB PHE A 122 -0.632 -2.069 -9.135 1.00 0.00 C ATOM 784 CG PHE A 122 -0.954 -3.498 -9.535 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.457 -4.553 -8.742 1.00 0.00 C ATOM 786 CD2 PHE A 122 -1.499 -3.733 -10.819 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.496 -5.875 -9.249 1.00 0.00 C ATOM 788 CE2 PHE A 122 -1.538 -5.055 -11.326 1.00 0.00 C ATOM 789 CZ PHE A 122 -1.032 -6.102 -10.526 1.00 0.00 C ATOM 0 H PHE A 122 -2.070 -0.316 -10.045 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.256 -2.065 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.462 -1.486 -10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.303 -2.068 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.052 -4.355 -7.761 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.882 -2.912 -11.407 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.118 -6.698 -8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.947 -5.258 -12.305 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.058 -7.111 -10.909 1.00 0.00 H new ATOM 790 N VAL A 123 -0.507 -0.706 -6.286 1.00 0.00 N ATOM 791 CA VAL A 123 0.277 0.201 -5.418 1.00 0.00 C ATOM 792 C VAL A 123 1.673 0.538 -5.929 1.00 0.00 C ATOM 793 O VAL A 123 2.254 -0.196 -6.733 1.00 0.00 O ATOM 794 CB VAL A 123 0.319 -0.312 -3.966 1.00 0.00 C ATOM 795 CG1 VAL A 123 -1.047 -0.178 -3.299 1.00 0.00 C ATOM 796 CG2 VAL A 123 0.861 -1.738 -3.838 1.00 0.00 C ATOM 0 H VAL A 123 -0.650 -1.640 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.263 1.147 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 123 1.029 0.326 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.990 -0.547 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.347 0.870 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.782 -0.761 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.862 -2.034 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.229 -2.420 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.878 -1.777 -4.227 1.00 0.00 H new ATOM 797 N GLY A 124 2.118 1.723 -5.516 1.00 0.00 N ATOM 798 CA GLY A 124 3.390 2.300 -5.962 1.00 0.00 C ATOM 799 C GLY A 124 3.683 3.631 -5.269 1.00 0.00 C ATOM 800 O GLY A 124 2.800 4.277 -4.695 1.00 0.00 O ATOM 0 H GLY A 124 1.607 2.314 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.199 1.598 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.363 2.450 -7.041 1.00 0.00 H new ATOM 801 N LEU A 125 4.980 3.879 -5.181 1.00 0.00 N ATOM 802 CA LEU A 125 5.523 5.141 -4.671 1.00 0.00 C ATOM 803 C LEU A 125 6.068 6.039 -5.778 1.00 0.00 C ATOM 804 O LEU A 125 6.947 5.684 -6.572 1.00 0.00 O ATOM 805 CB LEU A 125 6.655 4.896 -3.665 1.00 0.00 C ATOM 806 CG LEU A 125 6.302 3.959 -2.510 1.00 0.00 C ATOM 807 CD1 LEU A 125 7.603 3.395 -1.939 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.483 4.656 -1.419 1.00 0.00 C ATOM 0 H LEU A 125 5.696 3.209 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 125 4.684 5.642 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.512 4.484 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.968 5.855 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 125 5.672 3.155 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.376 2.722 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.134 2.847 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.228 4.213 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.259 3.946 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.055 5.490 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.552 5.029 -1.845 1.00 0.00 H new ATOM 809 N LYS A 126 5.511 7.230 -5.722 1.00 0.00 N ATOM 810 CA LYS A 126 5.899 8.363 -6.568 1.00 0.00 C ATOM 811 C LYS A 126 7.175 8.973 -5.986 1.00 0.00 C ATOM 812 O LYS A 126 7.264 9.256 -4.796 1.00 0.00 O ATOM 813 CB LYS A 126 4.709 9.320 -6.576 1.00 0.00 C ATOM 814 CG LYS A 126 4.992 10.483 -7.515 1.00 0.00 C ATOM 815 CD LYS A 126 4.278 11.725 -7.020 1.00 0.00 C ATOM 816 CE LYS A 126 4.830 12.973 -7.713 1.00 0.00 C ATOM 817 NZ LYS A 126 4.277 12.988 -9.069 1.00 0.00 N ATOM 0 H LYS A 126 4.756 7.453 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 126 6.126 8.089 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 126 3.809 8.794 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.522 9.691 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.065 10.666 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 126 4.659 10.238 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.209 11.638 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.401 11.817 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.545 13.874 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.919 12.949 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.601 13.842 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.598 12.144 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.238 12.989 -9.020 1.00 0.00 H new ATOM 818 N LYS A 127 8.007 9.407 -6.939 1.00 0.00 N ATOM 819 CA LYS A 127 9.406 9.813 -6.745 1.00 0.00 C ATOM 820 C LYS A 127 9.720 10.924 -5.740 1.00 0.00 C ATOM 821 O LYS A 127 10.844 11.025 -5.253 1.00 0.00 O ATOM 822 CB LYS A 127 10.098 10.104 -8.099 1.00 0.00 C ATOM 823 CG LYS A 127 9.689 11.393 -8.833 1.00 0.00 C ATOM 824 CD LYS A 127 8.367 11.248 -9.579 1.00 0.00 C ATOM 825 CE LYS A 127 8.121 12.491 -10.441 1.00 0.00 C ATOM 826 NZ LYS A 127 6.851 12.295 -11.146 1.00 0.00 N ATOM 0 H LYS A 127 7.711 9.489 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 127 9.821 8.930 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.174 10.139 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.908 9.261 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.608 12.207 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.472 11.669 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.388 10.357 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.550 11.118 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.081 13.386 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.936 12.632 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.994 12.438 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.506 11.328 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.150 12.979 -10.795 1.00 0.00 H new ATOM 827 N ASN A 128 8.702 11.708 -5.398 1.00 0.00 N ATOM 828 CA ASN A 128 8.797 12.754 -4.362 1.00 0.00 C ATOM 829 C ASN A 128 8.902 12.143 -2.942 1.00 0.00 C ATOM 830 O ASN A 128 9.402 12.774 -2.012 1.00 0.00 O ATOM 831 CB ASN A 128 7.567 13.657 -4.484 1.00 0.00 C ATOM 832 CG ASN A 128 6.280 12.983 -3.998 1.00 0.00 C ATOM 833 OD1 ASN A 128 5.892 11.929 -4.461 1.00 0.00 O ATOM 834 ND2 ASN A 128 5.842 13.380 -2.822 1.00 0.00 N ATOM 0 H ASN A 128 7.780 11.642 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 128 9.705 13.337 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 128 7.733 14.568 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.444 13.955 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.180 12.803 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.165 14.264 -2.429 1.00 0.00 H new ATOM 835 N GLY A 129 8.271 10.971 -2.802 1.00 0.00 N ATOM 836 CA GLY A 129 8.151 10.190 -1.562 1.00 0.00 C ATOM 837 C GLY A 129 6.693 9.985 -1.108 1.00 0.00 C ATOM 838 O GLY A 129 6.432 9.872 0.086 1.00 0.00 O ATOM 0 H GLY A 129 7.807 10.518 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.619 9.216 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.704 10.694 -0.769 1.00 0.00 H new ATOM 839 N SER A 130 5.779 9.754 -2.060 1.00 0.00 N ATOM 840 CA SER A 130 4.349 9.581 -1.744 1.00 0.00 C ATOM 841 C SER A 130 3.802 8.326 -2.420 1.00 0.00 C ATOM 842 O SER A 130 4.132 8.037 -3.564 1.00 0.00 O ATOM 843 CB SER A 130 3.514 10.774 -2.208 1.00 0.00 C ATOM 844 OG SER A 130 3.888 11.923 -1.435 1.00 0.00 O ATOM 0 H SER A 130 6.000 9.682 -3.053 1.00 0.00 H new ATOM 0 HA SER A 130 4.276 9.495 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.679 10.962 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.452 10.564 -2.083 1.00 0.00 H new ATOM 0 HG SER A 130 3.844 11.704 -0.481 1.00 0.00 H new ATOM 845 N CYS A 131 2.850 7.701 -1.744 1.00 0.00 N ATOM 846 CA CYS A 131 2.210 6.483 -2.272 1.00 0.00 C ATOM 847 C CYS A 131 1.045 6.883 -3.182 1.00 0.00 C ATOM 848 O CYS A 131 -0.014 7.321 -2.745 1.00 0.00 O ATOM 849 CB CYS A 131 1.750 5.546 -1.152 1.00 0.00 C ATOM 850 SG CYS A 131 1.561 3.814 -1.722 1.00 0.00 S ATOM 0 H CYS A 131 2.499 8.005 -0.836 1.00 0.00 H new ATOM 0 HA CYS A 131 2.945 5.926 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 131 2.471 5.580 -0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.799 5.900 -0.753 1.00 0.00 H new ATOM 0 HG CYS A 131 1.978 3.713 -2.949 1.00 0.00 H new ATOM 851 N LYS A 132 1.562 7.181 -4.358 1.00 0.00 N ATOM 852 CA LYS A 132 0.824 7.628 -5.550 1.00 0.00 C ATOM 853 C LYS A 132 1.137 6.668 -6.702 1.00 0.00 C ATOM 854 O LYS A 132 2.277 6.553 -7.155 1.00 0.00 O ATOM 855 CB LYS A 132 1.146 9.085 -5.868 1.00 0.00 C ATOM 856 CG LYS A 132 0.225 9.794 -6.887 1.00 0.00 C ATOM 857 CD LYS A 132 0.277 9.295 -8.339 1.00 0.00 C ATOM 858 CE LYS A 132 1.690 9.214 -8.929 1.00 0.00 C ATOM 859 NZ LYS A 132 1.614 8.708 -10.296 1.00 0.00 N ATOM 0 H LYS A 132 2.566 7.118 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 132 -0.251 7.599 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.121 9.650 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.168 9.133 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.803 9.704 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 132 0.471 10.856 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -0.181 8.307 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -0.326 9.957 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.158 10.199 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 132 2.313 8.559 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 2.571 8.652 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.184 7.761 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 1.033 9.350 -10.872 1.00 0.00 H new ATOM 860 N ARG A 133 0.212 5.735 -6.804 1.00 0.00 N ATOM 861 CA ARG A 133 0.057 4.829 -7.955 1.00 0.00 C ATOM 862 C ARG A 133 -0.483 5.422 -9.268 1.00 0.00 C ATOM 863 O ARG A 133 0.230 5.538 -10.264 1.00 0.00 O ATOM 864 CB ARG A 133 -0.782 3.600 -7.543 1.00 0.00 C ATOM 865 CG ARG A 133 -2.009 3.864 -6.664 1.00 0.00 C ATOM 866 CD ARG A 133 -3.303 3.190 -7.126 1.00 0.00 C ATOM 867 NE ARG A 133 -3.389 1.785 -6.714 1.00 0.00 N ATOM 868 CZ ARG A 133 -3.601 1.299 -5.492 1.00 0.00 C ATOM 869 NH1 ARG A 133 -3.681 2.085 -4.425 1.00 0.00 N ATOM 870 NH2 ARG A 133 -3.796 0.003 -5.327 1.00 0.00 N ATOM 0 H ARG A 133 -0.480 5.571 -6.073 1.00 0.00 H new ATOM 0 HA ARG A 133 1.083 4.563 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.116 3.097 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.129 2.905 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.787 3.531 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -2.176 4.940 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -4.156 3.735 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -3.371 3.250 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 133 -3.272 1.094 -7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -3.579 3.095 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.844 1.679 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.784 -0.621 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -3.959 -0.373 -4.393 1.00 0.00 H new ATOM 871 N GLY A 134 -1.771 5.730 -9.220 1.00 0.00 N ATOM 872 CA GLY A 134 -2.640 6.037 -10.370 1.00 0.00 C ATOM 873 C GLY A 134 -2.497 4.961 -11.459 1.00 0.00 C ATOM 874 O GLY A 134 -2.416 3.775 -11.118 1.00 0.00 O ATOM 0 H GLY A 134 -2.275 5.778 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.678 6.095 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.379 7.013 -10.779 1.00 0.00 H new ATOM 875 N PRO A 135 -2.423 5.354 -12.736 1.00 0.00 N ATOM 876 CA PRO A 135 -2.549 4.381 -13.823 1.00 0.00 C ATOM 877 C PRO A 135 -1.237 3.768 -14.356 1.00 0.00 C ATOM 878 O PRO A 135 -1.279 2.844 -15.161 1.00 0.00 O ATOM 879 CB PRO A 135 -3.278 5.160 -14.905 1.00 0.00 C ATOM 880 CG PRO A 135 -2.771 6.585 -14.745 1.00 0.00 C ATOM 881 CD PRO A 135 -2.457 6.736 -13.255 1.00 0.00 C ATOM 0 HA PRO A 135 -3.069 3.493 -13.464 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.055 4.767 -15.897 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.359 5.105 -14.776 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.883 6.757 -15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.522 7.308 -15.064 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.503 7.240 -13.101 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.217 7.330 -12.749 1.00 0.00 H new ATOM 882 N ARG A 136 -0.127 4.101 -13.703 1.00 0.00 N ATOM 883 CA ARG A 136 1.235 3.813 -14.213 1.00 0.00 C ATOM 884 C ARG A 136 1.980 2.627 -13.580 1.00 0.00 C ATOM 885 O ARG A 136 2.895 2.081 -14.192 1.00 0.00 O ATOM 886 CB ARG A 136 2.065 5.104 -14.161 1.00 0.00 C ATOM 887 CG ARG A 136 2.394 5.660 -12.766 1.00 0.00 C ATOM 888 CD ARG A 136 3.715 5.080 -12.261 1.00 0.00 C ATOM 889 NE ARG A 136 3.843 5.316 -10.811 1.00 0.00 N ATOM 890 CZ ARG A 136 4.921 5.056 -10.069 1.00 0.00 C ATOM 891 NH1 ARG A 136 6.053 4.595 -10.588 1.00 0.00 N ATOM 892 NH2 ARG A 136 4.878 5.284 -8.769 1.00 0.00 N ATOM 0 H ARG A 136 -0.133 4.580 -12.802 1.00 0.00 H new ATOM 0 HA ARG A 136 1.097 3.471 -15.239 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.004 4.926 -14.686 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.530 5.874 -14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.458 6.747 -12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.592 5.414 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.757 4.011 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.550 5.541 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 136 3.035 5.714 -10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.122 4.426 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.853 4.410 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.028 5.654 -8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.695 5.090 -8.190 1.00 0.00 H new ATOM 893 N THR A 137 1.452 2.150 -12.456 1.00 0.00 N ATOM 894 CA THR A 137 2.158 1.226 -11.543 1.00 0.00 C ATOM 895 C THR A 137 2.433 -0.188 -12.053 1.00 0.00 C ATOM 896 O THR A 137 3.544 -0.705 -11.912 1.00 0.00 O ATOM 897 CB THR A 137 1.395 1.112 -10.219 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.014 1.271 -10.425 1.00 0.00 O ATOM 899 CG2 THR A 137 1.940 2.052 -9.153 1.00 0.00 C ATOM 0 H THR A 137 0.512 2.391 -12.141 1.00 0.00 H new ATOM 0 HA THR A 137 3.139 1.688 -11.435 1.00 0.00 H new ATOM 0 HB THR A 137 1.555 0.105 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.470 1.300 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.365 1.933 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 137 2.986 1.815 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 137 1.859 3.082 -9.500 1.00 0.00 H new ATOM 900 N HIS A 138 1.352 -0.832 -12.466 1.00 0.00 N ATOM 901 CA HIS A 138 1.224 -2.222 -12.962 1.00 0.00 C ATOM 902 C HIS A 138 2.471 -3.099 -13.118 1.00 0.00 C ATOM 903 O HIS A 138 3.481 -2.776 -13.736 1.00 0.00 O ATOM 904 CB HIS A 138 0.328 -2.211 -14.202 1.00 0.00 C ATOM 905 CG HIS A 138 0.769 -1.173 -15.232 1.00 0.00 C ATOM 906 ND1 HIS A 138 1.919 -1.190 -15.913 1.00 0.00 N ATOM 907 CD2 HIS A 138 0.143 -0.046 -15.534 1.00 0.00 C ATOM 908 CE1 HIS A 138 2.006 -0.076 -16.619 1.00 0.00 C ATOM 909 NE2 HIS A 138 0.902 0.634 -16.381 1.00 0.00 N ATOM 0 H HIS A 138 0.447 -0.362 -12.468 1.00 0.00 H new ATOM 0 HA HIS A 138 0.771 -2.760 -12.129 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.336 -3.200 -14.661 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.700 -2.007 -13.902 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -0.819 0.265 -15.156 1.00 0.00 H new ATOM 0 HE1 HIS A 138 2.821 0.207 -17.269 1.00 0.00 H new ATOM 0 HE2 HIS A 138 0.680 1.545 -16.783 1.00 0.00 H new ATOM 910 N TYR A 139 2.140 -4.340 -12.782 1.00 0.00 N ATOM 911 CA TYR A 139 3.039 -5.473 -12.596 1.00 0.00 C ATOM 912 C TYR A 139 4.166 -5.633 -13.625 1.00 0.00 C ATOM 913 O TYR A 139 3.993 -5.580 -14.837 1.00 0.00 O ATOM 914 CB TYR A 139 2.187 -6.743 -12.514 1.00 0.00 C ATOM 915 CG TYR A 139 2.825 -7.840 -11.647 1.00 0.00 C ATOM 916 CD1 TYR A 139 2.587 -7.834 -10.250 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.727 -8.752 -12.233 1.00 0.00 C ATOM 918 CE1 TYR A 139 3.285 -8.732 -9.434 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.432 -9.655 -11.421 1.00 0.00 C ATOM 920 CZ TYR A 139 4.221 -9.606 -10.026 1.00 0.00 C ATOM 921 OH TYR A 139 5.021 -10.339 -9.215 1.00 0.00 O ATOM 0 H TYR A 139 1.167 -4.600 -12.621 1.00 0.00 H new ATOM 0 HA TYR A 139 3.583 -5.279 -11.672 1.00 0.00 H new ATOM 0 HB2 TYR A 139 1.207 -6.491 -12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.025 -7.131 -13.520 1.00 0.00 H new ATOM 0 HD1 TYR A 139 1.875 -7.145 -9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 139 3.875 -8.756 -13.303 1.00 0.00 H new ATOM 0 HE1 TYR A 139 3.110 -8.755 -8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 139 5.118 -10.369 -11.853 1.00 0.00 H new ATOM 0 HH TYR A 139 5.414 -11.078 -9.724 1.00 0.00 H new ATOM 922 N GLY A 140 5.280 -5.950 -12.991 1.00 0.00 N ATOM 923 CA GLY A 140 6.612 -6.085 -13.597 1.00 0.00 C ATOM 924 C GLY A 140 7.585 -5.040 -13.037 1.00 0.00 C ATOM 925 O GLY A 140 8.651 -5.388 -12.536 1.00 0.00 O ATOM 0 H GLY A 140 5.291 -6.132 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.001 -7.086 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 140 6.536 -5.972 -14.678 1.00 0.00 H new ATOM 926 N GLN A 141 7.071 -3.822 -12.879 1.00 0.00 N ATOM 927 CA GLN A 141 7.847 -2.661 -12.442 1.00 0.00 C ATOM 928 C GLN A 141 8.079 -2.703 -10.924 1.00 0.00 C ATOM 929 O GLN A 141 7.214 -3.079 -10.133 1.00 0.00 O ATOM 930 CB GLN A 141 7.055 -1.397 -12.760 1.00 0.00 C ATOM 931 CG GLN A 141 6.974 -1.120 -14.273 1.00 0.00 C ATOM 932 CD GLN A 141 6.178 0.163 -14.521 1.00 0.00 C ATOM 933 OE1 GLN A 141 6.721 1.251 -14.628 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.877 0.033 -14.560 1.00 0.00 N ATOM 0 H GLN A 141 6.089 -3.610 -13.053 1.00 0.00 H new ATOM 0 HA GLN A 141 8.808 -2.670 -12.956 1.00 0.00 H new ATOM 0 HB2 GLN A 141 6.047 -1.492 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.519 -0.546 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.977 -1.023 -14.689 1.00 0.00 H new ATOM 0 HG3 GLN A 141 6.498 -1.959 -14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.454 -0.890 -14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 141 4.286 0.855 -14.683 1.00 0.00 H new ATOM 935 N LYS A 142 9.246 -2.216 -10.556 1.00 0.00 N ATOM 936 CA LYS A 142 9.642 -1.976 -9.141 1.00 0.00 C ATOM 937 C LYS A 142 8.623 -1.193 -8.295 1.00 0.00 C ATOM 938 O LYS A 142 8.441 -1.511 -7.120 1.00 0.00 O ATOM 939 CB LYS A 142 11.044 -1.349 -9.115 1.00 0.00 C ATOM 940 CG LYS A 142 11.115 0.138 -9.507 1.00 0.00 C ATOM 941 CD LYS A 142 10.879 0.417 -10.998 1.00 0.00 C ATOM 942 CE LYS A 142 10.239 1.793 -11.156 1.00 0.00 C ATOM 943 NZ LYS A 142 10.202 2.136 -12.590 1.00 0.00 N ATOM 0 H LYS A 142 9.973 -1.965 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 142 9.662 -2.948 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.454 -1.462 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.688 -1.915 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 142 10.376 0.689 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.094 0.527 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.823 0.377 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.232 -0.349 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.231 1.790 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.809 2.540 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.767 3.073 -12.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.171 2.152 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 9.642 1.425 -13.103 1.00 0.00 H new ATOM 944 N ALA A 143 7.849 -0.365 -8.996 1.00 0.00 N ATOM 945 CA ALA A 143 6.717 0.418 -8.474 1.00 0.00 C ATOM 946 C ALA A 143 5.762 -0.391 -7.574 1.00 0.00 C ATOM 947 O ALA A 143 5.461 0.034 -6.466 1.00 0.00 O ATOM 948 CB ALA A 143 5.945 0.997 -9.669 1.00 0.00 C ATOM 0 H ALA A 143 7.997 -0.211 -9.993 1.00 0.00 H new ATOM 0 HA ALA A 143 7.125 1.204 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.100 1.582 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 143 6.606 1.637 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.581 0.183 -10.296 1.00 0.00 H new ATOM 949 N ILE A 144 5.577 -1.650 -7.940 1.00 0.00 N ATOM 950 CA ILE A 144 4.597 -2.556 -7.297 1.00 0.00 C ATOM 951 C ILE A 144 5.202 -3.587 -6.323 1.00 0.00 C ATOM 952 O ILE A 144 4.476 -4.285 -5.616 1.00 0.00 O ATOM 953 CB ILE A 144 3.689 -3.227 -8.346 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.445 -3.935 -9.472 1.00 0.00 C ATOM 955 CG2 ILE A 144 2.781 -2.191 -8.987 1.00 0.00 C ATOM 956 CD1 ILE A 144 4.917 -5.349 -9.118 1.00 0.00 C ATOM 0 H ILE A 144 6.100 -2.090 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 144 3.988 -1.911 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 144 3.128 -3.982 -7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 144 3.801 -3.988 -10.350 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.311 -3.333 -9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.143 -2.674 -9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.160 -1.727 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 144 3.387 -1.427 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 144 5.444 -5.781 -9.969 1.00 0.00 H new ATOM 0 HD12 ILE A 144 5.588 -5.304 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 144 4.055 -5.969 -8.872 1.00 0.00 H new ATOM 957 N LEU A 145 6.531 -3.623 -6.299 1.00 0.00 N ATOM 958 CA LEU A 145 7.296 -4.611 -5.518 1.00 0.00 C ATOM 959 C LEU A 145 7.388 -4.243 -4.026 1.00 0.00 C ATOM 960 O LEU A 145 8.374 -3.683 -3.544 1.00 0.00 O ATOM 961 CB LEU A 145 8.692 -4.772 -6.144 1.00 0.00 C ATOM 962 CG LEU A 145 8.700 -5.345 -7.565 1.00 0.00 C ATOM 963 CD1 LEU A 145 10.153 -5.511 -7.997 1.00 0.00 C ATOM 964 CD2 LEU A 145 7.981 -6.692 -7.707 1.00 0.00 C ATOM 0 H LEU A 145 7.116 -2.970 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 145 6.766 -5.563 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.182 -3.799 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.289 -5.421 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 145 8.153 -4.644 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 145 10.188 -5.918 -9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 145 10.651 -4.542 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 145 10.660 -6.192 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 145 8.034 -7.025 -8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 145 8.460 -7.430 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 145 6.937 -6.580 -7.415 1.00 0.00 H new ATOM 965 N PHE A 146 6.371 -4.658 -3.282 1.00 0.00 N ATOM 966 CA PHE A 146 6.305 -4.440 -1.836 1.00 0.00 C ATOM 967 C PHE A 146 6.528 -5.765 -1.120 1.00 0.00 C ATOM 968 O PHE A 146 6.073 -6.829 -1.527 1.00 0.00 O ATOM 969 CB PHE A 146 4.930 -3.898 -1.440 1.00 0.00 C ATOM 970 CG PHE A 146 4.611 -2.461 -1.904 1.00 0.00 C ATOM 971 CD1 PHE A 146 4.471 -2.158 -3.287 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.513 -1.439 -0.939 1.00 0.00 C ATOM 973 CE1 PHE A 146 4.264 -0.819 -3.686 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.301 -0.109 -1.336 1.00 0.00 C ATOM 975 CZ PHE A 146 4.195 0.202 -2.713 1.00 0.00 C ATOM 0 H PHE A 146 5.566 -5.156 -3.661 1.00 0.00 H new ATOM 0 HA PHE A 146 7.072 -3.718 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.168 -4.566 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.846 -3.935 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 146 4.523 -2.945 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.601 -1.680 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.159 -0.577 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.219 0.672 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.060 1.228 -3.022 1.00 0.00 H new ATOM 976 N LEU A 147 7.299 -5.651 -0.052 1.00 0.00 N ATOM 977 CA LEU A 147 7.718 -6.801 0.757 1.00 0.00 C ATOM 978 C LEU A 147 7.312 -6.625 2.218 1.00 0.00 C ATOM 979 O LEU A 147 7.712 -5.667 2.876 1.00 0.00 O ATOM 980 CB LEU A 147 9.246 -6.970 0.601 1.00 0.00 C ATOM 981 CG LEU A 147 9.767 -8.331 1.088 1.00 0.00 C ATOM 982 CD1 LEU A 147 9.186 -9.507 0.296 1.00 0.00 C ATOM 983 CD2 LEU A 147 11.295 -8.344 0.967 1.00 0.00 C ATOM 0 H LEU A 147 7.658 -4.758 0.286 1.00 0.00 H new ATOM 0 HA LEU A 147 7.218 -7.704 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.512 -6.843 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.749 -6.178 1.156 1.00 0.00 H new ATOM 0 HG LEU A 147 9.451 -8.456 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.590 -10.442 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.101 -9.511 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.454 -9.405 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.679 -9.305 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.579 -8.190 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.715 -7.546 1.579 1.00 0.00 H new ATOM 984 N PRO A 148 6.343 -7.449 2.654 1.00 0.00 N ATOM 985 CA PRO A 148 5.919 -7.497 4.055 1.00 0.00 C ATOM 986 C PRO A 148 7.049 -8.053 4.914 1.00 0.00 C ATOM 987 O PRO A 148 7.496 -9.188 4.723 1.00 0.00 O ATOM 988 CB PRO A 148 4.724 -8.447 4.078 1.00 0.00 C ATOM 989 CG PRO A 148 4.170 -8.379 2.656 1.00 0.00 C ATOM 990 CD PRO A 148 5.427 -8.238 1.810 1.00 0.00 C ATOM 0 HA PRO A 148 5.663 -6.512 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 148 5.025 -9.461 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.980 -8.135 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.607 -9.276 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.497 -7.532 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.852 -9.211 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 148 5.218 -7.732 0.867 1.00 0.00 H new ATOM 991 N LEU A 149 7.548 -7.186 5.779 1.00 0.00 N ATOM 992 CA LEU A 149 8.504 -7.569 6.839 1.00 0.00 C ATOM 993 C LEU A 149 7.824 -7.449 8.213 1.00 0.00 C ATOM 994 O LEU A 149 8.133 -6.543 8.984 1.00 0.00 O ATOM 995 CB LEU A 149 9.765 -6.710 6.681 1.00 0.00 C ATOM 996 CG LEU A 149 10.566 -7.058 5.423 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.669 -6.022 5.189 1.00 0.00 C ATOM 998 CD2 LEU A 149 11.190 -8.461 5.532 1.00 0.00 C ATOM 0 H LEU A 149 7.310 -6.194 5.778 1.00 0.00 H new ATOM 0 HA LEU A 149 8.814 -8.611 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 149 9.481 -5.658 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 149 10.400 -6.840 7.558 1.00 0.00 H new ATOM 0 HG LEU A 149 9.877 -7.049 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 149 12.229 -6.283 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 149 11.221 -5.036 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 149 12.343 -6.008 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.753 -8.681 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.860 -8.496 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 149 10.400 -9.202 5.657 1.00 0.00 H new ATOM 999 N PRO A 150 6.881 -8.366 8.512 1.00 0.00 N ATOM 1000 CA PRO A 150 6.079 -8.277 9.735 1.00 0.00 C ATOM 1001 C PRO A 150 6.906 -8.526 10.985 1.00 0.00 C ATOM 1002 O PRO A 150 7.872 -9.298 11.006 1.00 0.00 O ATOM 1003 CB PRO A 150 4.960 -9.297 9.540 1.00 0.00 C ATOM 1004 CG PRO A 150 5.626 -10.389 8.713 1.00 0.00 C ATOM 1005 CD PRO A 150 6.574 -9.616 7.794 1.00 0.00 C ATOM 0 HA PRO A 150 5.677 -7.276 9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 150 4.594 -9.680 10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 150 4.105 -8.863 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 150 6.166 -11.096 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 150 4.895 -10.963 8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 150 7.481 -10.187 7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 150 6.107 -9.411 6.830 1.00 0.00 H new