USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 THR OG1 : rot -140:sc= 0.379 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.181 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -8.88! C(o=-16!,f=-9.1!) USER MOD Set 2.2: A 98 ASN : amide:sc= -6.88! C(o=-16!,f=-9.1!) USER MOD Set 3.1: A 81 ASN : amide:sc= -17.3! C(o=-44!,f=-27!) USER MOD Set 3.2: A 83 ASN : amide:sc= -19.8! C(o=-44!,f=-22!) USER MOD Set 3.3: A 85 GLN : amide:sc= -7.11! K(o=-44!,f=-22) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -12.7! C(o=-17!,f=-25!) USER MOD Set 4.2: A 57 TYR OH : rot -30:sc= -3.92! USER MOD Set 5.1: A 12 SER OG : rot 180:sc= -0.902! USER MOD Set 5.2: A 13 SER OG : rot 180:sc= 0.0275 USER MOD Set 6.1: A 6 CYS SG : rot -38:sc= -22! USER MOD Set 6.2: A 9 ASN : amide:sc= -23.4! C(o=-93!,f=-94!) USER MOD Set 6.3: A 11 TYR OH : rot -177:sc= -7.61! USER MOD Set 6.4: A 103 CYS SG : rot 170:sc= -40.2! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -81:sc= 0.447 USER MOD Single : A 8 SER OG : rot 63:sc= 1.19 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -19! C(o=-19!,f=-26!) USER MOD Single : A 24 TYR OH : rot -89:sc= -6.28! USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00483) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.8!) USER MOD Single : A 37 SER OG : rot 60:sc= 0.937 USER MOD Single : A 38 TYR OH : rot 55:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.23! C(o=-6.2!,f=-7.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 59:sc= -5.54! USER MOD Single : A 43 ASN : amide:sc= -3.84! C(o=-3.8!,f=-2.5!) USER MOD Single : A 44 ASN : amide:sc= -3.7! K(o=-3.7!,f=-0.31) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -32:sc= 1.19 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -34:sc= -14.5! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -12.2! C(o=-12!,f=-6.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -22.2! C(o=-22!,f=-15!) USER MOD Single : A 104 THR OG1 : rot -7:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.229 -14.861 -5.481 1.00 0.00 N ATOM 2 CA ALA A 1 -8.483 -14.912 -6.726 1.00 0.00 C ATOM 3 C ALA A 1 -7.227 -14.047 -6.599 1.00 0.00 C ATOM 4 O ALA A 1 -7.083 -13.048 -7.303 1.00 0.00 O ATOM 5 CB ALA A 1 -9.383 -14.465 -7.880 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.083 -15.448 -5.564 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.636 -15.220 -4.706 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.503 -13.878 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.162 -15.932 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.823 -14.503 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.246 -15.128 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.723 -13.445 -7.702 1.00 0.00 H new ATOM 11 N CYS A 2 -6.351 -14.461 -5.695 1.00 0.00 N ATOM 12 CA CYS A 2 -5.113 -13.737 -5.466 1.00 0.00 C ATOM 13 C CYS A 2 -4.610 -13.207 -6.811 1.00 0.00 C ATOM 14 O CYS A 2 -4.443 -13.972 -7.759 1.00 0.00 O ATOM 15 CB CYS A 2 -4.067 -14.610 -4.769 1.00 0.00 C ATOM 16 SG CYS A 2 -4.542 -16.366 -4.572 1.00 0.00 S ATOM 0 H CYS A 2 -6.475 -15.289 -5.112 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.298 -12.900 -4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.137 -14.561 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.862 -14.191 -3.784 1.00 0.00 H new ATOM 21 N ASP A 3 -4.383 -11.903 -6.849 1.00 0.00 N ATOM 22 CA ASP A 3 -3.903 -11.262 -8.062 1.00 0.00 C ATOM 23 C ASP A 3 -2.626 -10.480 -7.749 1.00 0.00 C ATOM 24 O ASP A 3 -1.940 -10.014 -8.658 1.00 0.00 O ATOM 25 CB ASP A 3 -4.938 -10.279 -8.612 1.00 0.00 C ATOM 26 CG ASP A 3 -5.867 -10.850 -9.684 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.451 -10.837 -10.863 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.974 -11.289 -9.300 1.00 0.00 O ATOM 0 H ASP A 3 -4.522 -11.272 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.715 -12.039 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.545 -9.913 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.414 -9.418 -9.028 1.00 0.00 H new ATOM 33 N TYR A 4 -2.345 -10.359 -6.460 1.00 0.00 N ATOM 34 CA TYR A 4 -1.162 -9.640 -6.015 1.00 0.00 C ATOM 35 C TYR A 4 -0.376 -10.461 -4.991 1.00 0.00 C ATOM 36 O TYR A 4 -0.592 -10.329 -3.787 1.00 0.00 O ATOM 37 CB TYR A 4 -1.672 -8.363 -5.346 1.00 0.00 C ATOM 38 CG TYR A 4 -2.431 -7.426 -6.288 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.743 -6.683 -7.224 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.805 -7.325 -6.201 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.456 -5.801 -8.111 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.519 -6.443 -7.088 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.810 -5.725 -7.999 1.00 0.00 C ATOM 44 OH TYR A 4 -4.484 -4.892 -8.837 1.00 0.00 O ATOM 0 H TYR A 4 -2.916 -10.747 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.498 -9.434 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.326 -8.636 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.825 -7.825 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.668 -6.763 -7.292 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.344 -7.907 -5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.929 -5.214 -8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.594 -6.354 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.444 -4.940 -8.644 1.00 0.00 H new ATOM 54 N THR A 5 0.521 -11.288 -5.506 1.00 0.00 N ATOM 55 CA THR A 5 1.341 -12.129 -4.651 1.00 0.00 C ATOM 56 C THR A 5 2.724 -11.504 -4.456 1.00 0.00 C ATOM 57 O THR A 5 3.540 -11.493 -5.377 1.00 0.00 O ATOM 58 CB THR A 5 1.389 -13.528 -5.269 1.00 0.00 C ATOM 59 OG1 THR A 5 0.100 -14.072 -4.997 1.00 0.00 O ATOM 60 CG2 THR A 5 2.350 -14.461 -4.532 1.00 0.00 C ATOM 0 H THR A 5 0.698 -11.394 -6.505 1.00 0.00 H new ATOM 0 HA THR A 5 0.913 -12.213 -3.652 1.00 0.00 H new ATOM 0 HB THR A 5 1.687 -13.453 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.077 -14.416 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.346 -15.440 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.357 -14.045 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.033 -14.564 -3.494 1.00 0.00 H new ATOM 68 N CYS A 6 2.946 -10.999 -3.252 1.00 0.00 N ATOM 69 CA CYS A 6 4.216 -10.373 -2.925 1.00 0.00 C ATOM 70 C CYS A 6 5.200 -11.470 -2.515 1.00 0.00 C ATOM 71 O CYS A 6 5.644 -11.515 -1.369 1.00 0.00 O ATOM 72 CB CYS A 6 4.058 -9.311 -1.834 1.00 0.00 C ATOM 73 SG CYS A 6 3.508 -7.672 -2.432 1.00 0.00 S ATOM 0 H CYS A 6 2.268 -11.010 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 6 4.602 -9.848 -3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.341 -9.672 -1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.012 -9.193 -1.320 1.00 0.00 H new ATOM 0 HG CYS A 6 4.070 -7.416 -3.576 1.00 0.00 H new ATOM 78 N GLY A 7 5.512 -12.329 -3.475 1.00 0.00 N ATOM 79 CA GLY A 7 6.437 -13.422 -3.229 1.00 0.00 C ATOM 80 C GLY A 7 5.818 -14.462 -2.292 1.00 0.00 C ATOM 81 O GLY A 7 5.770 -15.646 -2.619 1.00 0.00 O ATOM 0 H GLY A 7 5.141 -12.290 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.708 -13.894 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.357 -13.034 -2.791 1.00 0.00 H new ATOM 85 N SER A 8 5.362 -13.980 -1.145 1.00 0.00 N ATOM 86 CA SER A 8 4.750 -14.853 -0.158 1.00 0.00 C ATOM 87 C SER A 8 3.413 -14.266 0.301 1.00 0.00 C ATOM 88 O SER A 8 3.193 -14.072 1.496 1.00 0.00 O ATOM 89 CB SER A 8 5.675 -15.065 1.041 1.00 0.00 C ATOM 90 OG SER A 8 5.598 -13.989 1.972 1.00 0.00 O ATOM 0 H SER A 8 5.404 -12.997 -0.877 1.00 0.00 H new ATOM 0 HA SER A 8 4.575 -15.823 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.412 -15.997 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.702 -15.170 0.692 1.00 0.00 H new ATOM 0 HG SER A 8 4.692 -13.942 2.343 1.00 0.00 H new ATOM 96 N ASN A 9 2.555 -13.999 -0.672 1.00 0.00 N ATOM 97 CA ASN A 9 1.245 -13.439 -0.383 1.00 0.00 C ATOM 98 C ASN A 9 0.220 -14.017 -1.361 1.00 0.00 C ATOM 99 O ASN A 9 0.547 -14.892 -2.162 1.00 0.00 O ATOM 100 CB ASN A 9 1.249 -11.918 -0.546 1.00 0.00 C ATOM 101 CG ASN A 9 2.380 -11.282 0.265 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.161 -10.530 1.200 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.598 -11.625 -0.144 1.00 0.00 N ATOM 0 H ASN A 9 2.741 -14.160 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 9 0.990 -13.691 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.364 -11.662 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.291 -11.511 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.420 -11.253 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.711 -12.260 -0.934 1.00 0.00 H new ATOM 110 N CYS A 10 -0.997 -13.504 -1.263 1.00 0.00 N ATOM 111 CA CYS A 10 -2.072 -13.958 -2.129 1.00 0.00 C ATOM 112 C CYS A 10 -3.324 -13.138 -1.812 1.00 0.00 C ATOM 113 O CYS A 10 -4.340 -13.688 -1.387 1.00 0.00 O ATOM 114 CB CYS A 10 -2.321 -15.461 -1.982 1.00 0.00 C ATOM 115 SG CYS A 10 -2.715 -16.330 -3.543 1.00 0.00 S ATOM 0 H CYS A 10 -1.263 -12.778 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.792 -13.803 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.436 -15.920 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.142 -15.612 -1.281 1.00 0.00 H new ATOM 120 N TYR A 11 -3.211 -11.837 -2.029 1.00 0.00 N ATOM 121 CA TYR A 11 -4.321 -10.935 -1.771 1.00 0.00 C ATOM 122 C TYR A 11 -4.598 -10.045 -2.984 1.00 0.00 C ATOM 123 O TYR A 11 -3.941 -9.023 -3.171 1.00 0.00 O ATOM 124 CB TYR A 11 -3.886 -10.057 -0.597 1.00 0.00 C ATOM 125 CG TYR A 11 -2.383 -9.779 -0.550 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.703 -9.468 -1.710 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.707 -9.839 0.651 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.287 -9.206 -1.666 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.291 -9.578 0.695 1.00 0.00 C ATOM 130 CZ TYR A 11 0.348 -9.275 -0.466 1.00 0.00 C ATOM 131 OH TYR A 11 1.685 -9.028 -0.424 1.00 0.00 O ATOM 0 H TYR A 11 -2.367 -11.385 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.231 -11.497 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.419 -9.108 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.185 -10.539 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.232 -9.421 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.240 -10.082 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.258 -8.960 -2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.250 -9.622 1.629 1.00 0.00 H new ATOM 0 HH TYR A 11 2.014 -9.163 0.489 1.00 0.00 H new ATOM 141 N SER A 12 -5.573 -10.467 -3.777 1.00 0.00 N ATOM 142 CA SER A 12 -5.945 -9.720 -4.967 1.00 0.00 C ATOM 143 C SER A 12 -6.471 -8.339 -4.575 1.00 0.00 C ATOM 144 O SER A 12 -6.547 -8.012 -3.391 1.00 0.00 O ATOM 145 CB SER A 12 -6.993 -10.475 -5.785 1.00 0.00 C ATOM 146 OG SER A 12 -7.938 -9.593 -6.386 1.00 0.00 O ATOM 0 H SER A 12 -6.116 -11.316 -3.619 1.00 0.00 H new ATOM 0 HA SER A 12 -5.057 -9.600 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.497 -11.058 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.516 -11.182 -5.141 1.00 0.00 H new ATOM 0 HG SER A 12 -8.589 -10.113 -6.901 1.00 0.00 H new ATOM 152 N SER A 13 -6.821 -7.563 -5.591 1.00 0.00 N ATOM 153 CA SER A 13 -7.338 -6.224 -5.367 1.00 0.00 C ATOM 154 C SER A 13 -8.476 -6.267 -4.344 1.00 0.00 C ATOM 155 O SER A 13 -8.837 -5.241 -3.769 1.00 0.00 O ATOM 156 CB SER A 13 -7.823 -5.595 -6.674 1.00 0.00 C ATOM 157 OG SER A 13 -8.212 -6.580 -7.628 1.00 0.00 O ATOM 0 H SER A 13 -6.756 -7.837 -6.572 1.00 0.00 H new ATOM 0 HA SER A 13 -6.530 -5.606 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.667 -4.936 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.031 -4.976 -7.095 1.00 0.00 H new ATOM 0 HG SER A 13 -8.517 -6.139 -8.448 1.00 0.00 H new ATOM 163 N SER A 14 -9.009 -7.464 -4.149 1.00 0.00 N ATOM 164 CA SER A 14 -10.098 -7.653 -3.206 1.00 0.00 C ATOM 165 C SER A 14 -9.548 -7.741 -1.782 1.00 0.00 C ATOM 166 O SER A 14 -10.221 -7.353 -0.827 1.00 0.00 O ATOM 167 CB SER A 14 -10.904 -8.910 -3.542 1.00 0.00 C ATOM 168 OG SER A 14 -12.017 -9.079 -2.668 1.00 0.00 O ATOM 0 H SER A 14 -8.707 -8.313 -4.628 1.00 0.00 H new ATOM 0 HA SER A 14 -10.766 -6.795 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.257 -8.850 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.256 -9.784 -3.478 1.00 0.00 H new ATOM 0 HG SER A 14 -12.507 -9.891 -2.915 1.00 0.00 H new ATOM 174 N ASP A 15 -8.329 -8.252 -1.683 1.00 0.00 N ATOM 175 CA ASP A 15 -7.681 -8.395 -0.390 1.00 0.00 C ATOM 176 C ASP A 15 -7.022 -7.069 -0.005 1.00 0.00 C ATOM 177 O ASP A 15 -7.098 -6.646 1.147 1.00 0.00 O ATOM 178 CB ASP A 15 -6.590 -9.467 -0.437 1.00 0.00 C ATOM 179 CG ASP A 15 -7.047 -10.872 -0.037 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.912 -11.415 -0.760 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.523 -11.371 0.982 1.00 0.00 O ATOM 0 H ASP A 15 -7.774 -8.572 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.440 -8.683 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.184 -9.507 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.776 -9.165 0.222 1.00 0.00 H new ATOM 186 N VAL A 16 -6.391 -6.449 -0.992 1.00 0.00 N ATOM 187 CA VAL A 16 -5.721 -5.180 -0.771 1.00 0.00 C ATOM 188 C VAL A 16 -6.703 -4.192 -0.137 1.00 0.00 C ATOM 189 O VAL A 16 -6.398 -3.577 0.884 1.00 0.00 O ATOM 190 CB VAL A 16 -5.122 -4.668 -2.083 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.564 -3.253 -1.916 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.048 -5.624 -2.605 1.00 0.00 C ATOM 0 H VAL A 16 -6.330 -6.803 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.890 -5.304 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.921 -4.627 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.144 -2.913 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.365 -2.580 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.784 -3.257 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.639 -5.237 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.250 -5.712 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.489 -6.605 -2.782 1.00 0.00 H new ATOM 202 N SER A 17 -7.861 -4.072 -0.768 1.00 0.00 N ATOM 203 CA SER A 17 -8.890 -3.170 -0.279 1.00 0.00 C ATOM 204 C SER A 17 -8.885 -3.152 1.251 1.00 0.00 C ATOM 205 O SER A 17 -8.758 -2.092 1.863 1.00 0.00 O ATOM 206 CB SER A 17 -10.270 -3.573 -0.800 1.00 0.00 C ATOM 207 OG SER A 17 -11.234 -2.539 -0.617 1.00 0.00 O ATOM 0 H SER A 17 -8.110 -4.584 -1.614 1.00 0.00 H new ATOM 0 HA SER A 17 -8.671 -2.169 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.200 -3.819 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.603 -4.474 -0.285 1.00 0.00 H new ATOM 0 HG SER A 17 -12.101 -2.835 -0.964 1.00 0.00 H new ATOM 213 N THR A 18 -9.026 -4.337 1.826 1.00 0.00 N ATOM 214 CA THR A 18 -9.040 -4.472 3.272 1.00 0.00 C ATOM 215 C THR A 18 -7.876 -3.694 3.891 1.00 0.00 C ATOM 216 O THR A 18 -8.073 -2.907 4.815 1.00 0.00 O ATOM 217 CB THR A 18 -9.021 -5.963 3.609 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.399 -6.320 3.685 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.487 -6.240 5.016 1.00 0.00 C ATOM 0 H THR A 18 -9.132 -5.214 1.315 1.00 0.00 H new ATOM 0 HA THR A 18 -9.944 -4.040 3.701 1.00 0.00 H new ATOM 0 HB THR A 18 -8.409 -6.491 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.479 -7.273 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.495 -7.314 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.467 -5.865 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.118 -5.739 5.750 1.00 0.00 H new ATOM 227 N ALA A 19 -6.690 -3.943 3.356 1.00 0.00 N ATOM 228 CA ALA A 19 -5.495 -3.276 3.844 1.00 0.00 C ATOM 229 C ALA A 19 -5.644 -1.765 3.651 1.00 0.00 C ATOM 230 O ALA A 19 -5.278 -0.985 4.529 1.00 0.00 O ATOM 231 CB ALA A 19 -4.267 -3.837 3.123 1.00 0.00 C ATOM 0 H ALA A 19 -6.531 -4.597 2.590 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.361 -3.461 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.370 -3.337 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.190 -4.907 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.365 -3.667 2.051 1.00 0.00 H new ATOM 237 N GLN A 20 -6.181 -1.398 2.497 1.00 0.00 N ATOM 238 CA GLN A 20 -6.383 0.004 2.179 1.00 0.00 C ATOM 239 C GLN A 20 -7.307 0.656 3.209 1.00 0.00 C ATOM 240 O GLN A 20 -6.932 1.632 3.856 1.00 0.00 O ATOM 241 CB GLN A 20 -6.938 0.171 0.762 1.00 0.00 C ATOM 242 CG GLN A 20 -6.224 -0.761 -0.219 1.00 0.00 C ATOM 243 CD GLN A 20 -7.027 -0.914 -1.512 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.118 -1.982 -2.094 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.602 0.211 -1.928 1.00 0.00 N ATOM 0 H GLN A 20 -6.482 -2.048 1.771 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.417 0.507 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.007 -0.042 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.818 1.205 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.234 -0.366 -0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.080 -1.738 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.485 1.071 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.159 0.213 -2.782 1.00 0.00 H new ATOM 254 N ALA A 21 -8.499 0.088 3.330 1.00 0.00 N ATOM 255 CA ALA A 21 -9.480 0.601 4.272 1.00 0.00 C ATOM 256 C ALA A 21 -8.763 1.102 5.527 1.00 0.00 C ATOM 257 O ALA A 21 -9.193 2.074 6.145 1.00 0.00 O ATOM 258 CB ALA A 21 -10.507 -0.489 4.583 1.00 0.00 C ATOM 0 H ALA A 21 -8.807 -0.722 2.792 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.020 1.445 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.243 -0.105 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.009 -0.789 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.002 -1.351 5.018 1.00 0.00 H new ATOM 264 N ALA A 22 -7.681 0.416 5.865 1.00 0.00 N ATOM 265 CA ALA A 22 -6.900 0.780 7.036 1.00 0.00 C ATOM 266 C ALA A 22 -6.148 2.082 6.757 1.00 0.00 C ATOM 267 O ALA A 22 -6.295 3.057 7.492 1.00 0.00 O ATOM 268 CB ALA A 22 -5.959 -0.371 7.399 1.00 0.00 C ATOM 0 H ALA A 22 -7.327 -0.389 5.349 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.550 0.953 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.373 -0.099 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.544 -1.265 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.289 -0.570 6.563 1.00 0.00 H new ATOM 274 N GLY A 23 -5.359 2.056 5.693 1.00 0.00 N ATOM 275 CA GLY A 23 -4.584 3.223 5.308 1.00 0.00 C ATOM 276 C GLY A 23 -5.486 4.444 5.119 1.00 0.00 C ATOM 277 O GLY A 23 -5.156 5.540 5.568 1.00 0.00 O ATOM 0 H GLY A 23 -5.240 1.245 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.835 3.435 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.046 3.017 4.383 1.00 0.00 H new ATOM 281 N TYR A 24 -6.609 4.213 4.454 1.00 0.00 N ATOM 282 CA TYR A 24 -7.562 5.280 4.200 1.00 0.00 C ATOM 283 C TYR A 24 -8.138 5.823 5.510 1.00 0.00 C ATOM 284 O TYR A 24 -7.930 6.988 5.848 1.00 0.00 O ATOM 285 CB TYR A 24 -8.692 4.650 3.382 1.00 0.00 C ATOM 286 CG TYR A 24 -9.357 5.613 2.397 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.713 5.956 1.225 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.601 6.140 2.681 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.340 6.862 0.298 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.228 7.046 1.753 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.566 7.363 0.608 1.00 0.00 C ATOM 292 OH TYR A 24 -11.158 8.219 -0.268 1.00 0.00 O ATOM 0 H TYR A 24 -6.880 3.302 4.083 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.081 6.109 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.296 3.798 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.449 4.264 4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.739 5.545 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.104 5.873 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.848 7.138 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.202 7.464 1.962 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.886 9.138 -0.062 1.00 0.00 H new ATOM 302 N LYS A 25 -8.851 4.954 6.211 1.00 0.00 N ATOM 303 CA LYS A 25 -9.459 5.331 7.476 1.00 0.00 C ATOM 304 C LYS A 25 -8.498 6.239 8.247 1.00 0.00 C ATOM 305 O LYS A 25 -8.821 7.390 8.535 1.00 0.00 O ATOM 306 CB LYS A 25 -9.890 4.088 8.255 1.00 0.00 C ATOM 307 CG LYS A 25 -10.593 4.474 9.559 1.00 0.00 C ATOM 308 CD LYS A 25 -11.963 5.094 9.280 1.00 0.00 C ATOM 309 CE LYS A 25 -12.752 5.286 10.577 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.346 4.004 11.017 1.00 0.00 N ATOM 0 H LYS A 25 -9.021 3.989 5.927 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.371 5.903 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.559 3.484 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.018 3.473 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.710 3.592 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.976 5.181 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.837 6.055 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.524 4.453 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.095 5.675 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.539 6.025 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.920 4.162 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.949 3.623 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.588 3.325 11.231 1.00 0.00 H new ATOM 324 N LEU A 26 -7.335 5.686 8.560 1.00 0.00 N ATOM 325 CA LEU A 26 -6.326 6.431 9.293 1.00 0.00 C ATOM 326 C LEU A 26 -5.968 7.698 8.515 1.00 0.00 C ATOM 327 O LEU A 26 -5.697 8.740 9.109 1.00 0.00 O ATOM 328 CB LEU A 26 -5.121 5.539 9.602 1.00 0.00 C ATOM 329 CG LEU A 26 -3.931 6.228 10.272 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.968 6.037 11.789 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.609 5.750 9.666 1.00 0.00 C ATOM 0 H LEU A 26 -7.069 4.731 8.319 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.715 6.749 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.453 4.724 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.778 5.090 8.670 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.005 7.299 10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.111 6.537 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.888 6.465 12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.932 4.973 12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.779 6.255 10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.513 4.673 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.592 5.981 8.601 1.00 0.00 H new ATOM 343 N HIS A 27 -5.980 7.567 7.196 1.00 0.00 N ATOM 344 CA HIS A 27 -5.661 8.690 6.330 1.00 0.00 C ATOM 345 C HIS A 27 -6.740 9.766 6.466 1.00 0.00 C ATOM 346 O HIS A 27 -6.430 10.935 6.690 1.00 0.00 O ATOM 347 CB HIS A 27 -5.467 8.223 4.886 1.00 0.00 C ATOM 348 CG HIS A 27 -5.229 9.347 3.905 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.149 10.208 3.997 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.942 9.740 2.811 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.220 11.076 2.999 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.333 10.785 2.265 1.00 0.00 N ATOM 0 H HIS A 27 -6.205 6.701 6.706 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.714 9.134 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.622 7.535 4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.348 7.663 4.574 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.849 9.279 2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.520 11.874 2.801 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.645 11.288 1.434 1.00 0.00 H new ATOM 361 N GLU A 28 -7.984 9.333 6.324 1.00 0.00 N ATOM 362 CA GLU A 28 -9.111 10.244 6.428 1.00 0.00 C ATOM 363 C GLU A 28 -9.103 10.945 7.788 1.00 0.00 C ATOM 364 O GLU A 28 -9.626 12.051 7.924 1.00 0.00 O ATOM 365 CB GLU A 28 -10.433 9.510 6.197 1.00 0.00 C ATOM 366 CG GLU A 28 -10.189 8.053 5.798 1.00 0.00 C ATOM 367 CD GLU A 28 -11.504 7.353 5.450 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.440 8.072 5.039 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.544 6.113 5.604 1.00 0.00 O ATOM 0 H GLU A 28 -8.236 8.362 6.138 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.014 11.001 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.036 9.546 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.001 10.014 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.515 8.014 4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.697 7.526 6.615 1.00 0.00 H new ATOM 376 N ASP A 29 -8.504 10.274 8.760 1.00 0.00 N ATOM 377 CA ASP A 29 -8.421 10.818 10.105 1.00 0.00 C ATOM 378 C ASP A 29 -7.146 11.653 10.235 1.00 0.00 C ATOM 379 O ASP A 29 -7.011 12.448 11.163 1.00 0.00 O ATOM 380 CB ASP A 29 -8.363 9.702 11.149 1.00 0.00 C ATOM 381 CG ASP A 29 -9.723 9.141 11.572 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.375 8.520 10.705 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.079 9.346 12.752 1.00 0.00 O ATOM 0 H ASP A 29 -8.071 9.358 8.643 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.309 11.427 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.757 8.886 10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.851 10.079 12.034 1.00 0.00 H new ATOM 388 N GLY A 30 -6.240 11.442 9.290 1.00 0.00 N ATOM 389 CA GLY A 30 -4.980 12.166 9.287 1.00 0.00 C ATOM 390 C GLY A 30 -4.029 11.613 10.350 1.00 0.00 C ATOM 391 O GLY A 30 -3.116 12.309 10.794 1.00 0.00 O ATOM 0 H GLY A 30 -6.354 10.780 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.516 12.091 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.164 13.224 9.473 1.00 0.00 H new ATOM 395 N GLU A 31 -4.273 10.366 10.726 1.00 0.00 N ATOM 396 CA GLU A 31 -3.449 9.711 11.728 1.00 0.00 C ATOM 397 C GLU A 31 -2.415 8.805 11.056 1.00 0.00 C ATOM 398 O GLU A 31 -2.406 8.668 9.834 1.00 0.00 O ATOM 399 CB GLU A 31 -4.311 8.922 12.716 1.00 0.00 C ATOM 400 CG GLU A 31 -5.076 9.863 13.648 1.00 0.00 C ATOM 401 CD GLU A 31 -4.135 10.523 14.657 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.163 9.845 15.055 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.407 11.691 15.008 1.00 0.00 O ATOM 0 H GLU A 31 -5.030 9.792 10.355 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.918 10.478 12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.015 8.294 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.680 8.256 13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.581 10.630 13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.849 9.306 14.177 1.00 0.00 H new ATOM 410 N THR A 32 -1.570 8.210 11.884 1.00 0.00 N ATOM 411 CA THR A 32 -0.534 7.321 11.385 1.00 0.00 C ATOM 412 C THR A 32 -0.567 5.989 12.139 1.00 0.00 C ATOM 413 O THR A 32 -1.377 5.805 13.045 1.00 0.00 O ATOM 414 CB THR A 32 0.806 8.049 11.494 1.00 0.00 C ATOM 415 OG1 THR A 32 0.922 8.357 12.881 1.00 0.00 O ATOM 416 CG2 THR A 32 0.789 9.416 10.808 1.00 0.00 C ATOM 0 H THR A 32 -1.581 8.326 12.897 1.00 0.00 H new ATOM 0 HA THR A 32 -0.698 7.069 10.337 1.00 0.00 H new ATOM 0 HB THR A 32 1.590 7.433 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.765 8.830 13.042 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.765 9.889 10.916 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.562 9.289 9.749 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.028 10.045 11.269 1.00 0.00 H new ATOM 424 N VAL A 33 0.324 5.096 11.735 1.00 0.00 N ATOM 425 CA VAL A 33 0.409 3.788 12.361 1.00 0.00 C ATOM 426 C VAL A 33 1.876 3.447 12.624 1.00 0.00 C ATOM 427 O VAL A 33 2.695 3.461 11.706 1.00 0.00 O ATOM 428 CB VAL A 33 -0.301 2.746 11.493 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.643 3.278 10.985 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.589 2.303 10.330 1.00 0.00 C ATOM 0 H VAL A 33 0.994 5.253 10.982 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.101 3.792 13.324 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.500 1.873 12.114 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.127 2.518 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.283 3.520 11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.477 4.175 10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.061 1.563 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.834 3.166 9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.507 1.865 10.721 1.00 0.00 H new ATOM 440 N GLY A 34 2.165 3.147 13.882 1.00 0.00 N ATOM 441 CA GLY A 34 3.521 2.802 14.277 1.00 0.00 C ATOM 442 C GLY A 34 4.341 4.059 14.576 1.00 0.00 C ATOM 443 O GLY A 34 3.795 5.072 15.011 1.00 0.00 O ATOM 0 H GLY A 34 1.484 3.136 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.495 2.162 15.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.001 2.231 13.482 1.00 0.00 H new ATOM 447 N SER A 35 5.639 3.952 14.331 1.00 0.00 N ATOM 448 CA SER A 35 6.539 5.067 14.568 1.00 0.00 C ATOM 449 C SER A 35 6.762 5.846 13.270 1.00 0.00 C ATOM 450 O SER A 35 7.331 6.936 13.286 1.00 0.00 O ATOM 451 CB SER A 35 7.876 4.584 15.134 1.00 0.00 C ATOM 452 OG SER A 35 8.620 3.833 14.178 1.00 0.00 O ATOM 0 H SER A 35 6.088 3.110 13.971 1.00 0.00 H new ATOM 0 HA SER A 35 6.080 5.726 15.305 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.464 5.443 15.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.696 3.970 16.016 1.00 0.00 H new ATOM 0 HG SER A 35 9.467 3.544 14.577 1.00 0.00 H new ATOM 458 N ASN A 36 6.302 5.255 12.177 1.00 0.00 N ATOM 459 CA ASN A 36 6.444 5.879 10.873 1.00 0.00 C ATOM 460 C ASN A 36 5.305 6.881 10.665 1.00 0.00 C ATOM 461 O ASN A 36 4.646 7.284 11.622 1.00 0.00 O ATOM 462 CB ASN A 36 6.368 4.840 9.753 1.00 0.00 C ATOM 463 CG ASN A 36 7.758 4.539 9.190 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.766 5.054 9.645 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.756 3.677 8.176 1.00 0.00 N ATOM 0 H ASN A 36 5.831 4.351 12.168 1.00 0.00 H new ATOM 0 HA ASN A 36 7.415 6.374 10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.919 3.922 10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.720 5.206 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.634 3.411 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.876 3.283 7.844 1.00 0.00 H new ATOM 472 N SER A 37 5.111 7.254 9.409 1.00 0.00 N ATOM 473 CA SER A 37 4.064 8.202 9.064 1.00 0.00 C ATOM 474 C SER A 37 3.167 7.614 7.972 1.00 0.00 C ATOM 475 O SER A 37 2.847 8.291 6.996 1.00 0.00 O ATOM 476 CB SER A 37 4.658 9.535 8.604 1.00 0.00 C ATOM 477 OG SER A 37 5.112 9.479 7.254 1.00 0.00 O ATOM 0 H SER A 37 5.660 6.918 8.618 1.00 0.00 H new ATOM 0 HA SER A 37 3.465 8.391 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.908 10.319 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.489 9.806 9.255 1.00 0.00 H new ATOM 0 HG SER A 37 4.362 9.250 6.666 1.00 0.00 H new ATOM 483 N TYR A 38 2.786 6.362 8.173 1.00 0.00 N ATOM 484 CA TYR A 38 1.932 5.677 7.218 1.00 0.00 C ATOM 485 C TYR A 38 0.464 5.747 7.645 1.00 0.00 C ATOM 486 O TYR A 38 0.158 5.722 8.836 1.00 0.00 O ATOM 487 CB TYR A 38 2.382 4.214 7.224 1.00 0.00 C ATOM 488 CG TYR A 38 3.765 3.986 6.611 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.782 4.887 6.850 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.994 2.879 5.818 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.084 4.672 6.272 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.296 2.666 5.241 1.00 0.00 C ATOM 493 CZ TYR A 38 6.277 3.572 5.496 1.00 0.00 C ATOM 494 OH TYR A 38 7.506 3.369 4.951 1.00 0.00 O ATOM 0 H TYR A 38 3.053 5.803 8.984 1.00 0.00 H new ATOM 0 HA TYR A 38 2.013 6.136 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.387 3.850 8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.651 3.617 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.602 5.753 7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.198 2.174 5.631 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.889 5.369 6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.489 1.805 4.619 1.00 0.00 H new ATOM 0 HH TYR A 38 8.182 3.364 5.661 1.00 0.00 H new ATOM 504 N PRO A 39 -0.428 5.838 6.623 1.00 0.00 N ATOM 505 CA PRO A 39 0.018 5.862 5.240 1.00 0.00 C ATOM 506 C PRO A 39 0.620 7.223 4.882 1.00 0.00 C ATOM 507 O PRO A 39 0.812 8.069 5.753 1.00 0.00 O ATOM 508 CB PRO A 39 -1.217 5.525 4.422 1.00 0.00 C ATOM 509 CG PRO A 39 -2.405 5.781 5.336 1.00 0.00 C ATOM 510 CD PRO A 39 -1.879 5.919 6.755 1.00 0.00 C ATOM 0 HA PRO A 39 0.817 5.147 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.273 6.144 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.195 4.487 4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.931 6.687 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.120 4.961 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.184 6.866 7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.263 5.127 7.398 1.00 0.00 H new ATOM 518 N HIS A 40 0.898 7.391 3.597 1.00 0.00 N ATOM 519 CA HIS A 40 1.474 8.634 3.113 1.00 0.00 C ATOM 520 C HIS A 40 1.652 8.560 1.595 1.00 0.00 C ATOM 521 O HIS A 40 1.636 7.475 1.017 1.00 0.00 O ATOM 522 CB HIS A 40 2.777 8.953 3.848 1.00 0.00 C ATOM 523 CG HIS A 40 3.911 8.007 3.526 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.676 8.118 2.379 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.400 6.936 4.214 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.581 7.152 2.385 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.409 6.420 3.523 1.00 0.00 N ATOM 0 H HIS A 40 0.735 6.687 2.877 1.00 0.00 H new ATOM 0 HA HIS A 40 0.795 9.460 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.083 9.969 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.592 8.930 4.922 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.562 8.824 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.029 6.570 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.325 6.975 1.623 1.00 0.00 H new ATOM 536 N LYS A 41 1.817 9.729 0.994 1.00 0.00 N ATOM 537 CA LYS A 41 1.998 9.811 -0.446 1.00 0.00 C ATOM 538 C LYS A 41 2.983 8.729 -0.894 1.00 0.00 C ATOM 539 O LYS A 41 3.807 8.269 -0.105 1.00 0.00 O ATOM 540 CB LYS A 41 2.411 11.226 -0.855 1.00 0.00 C ATOM 541 CG LYS A 41 2.455 11.367 -2.378 1.00 0.00 C ATOM 542 CD LYS A 41 3.898 11.464 -2.878 1.00 0.00 C ATOM 543 CE LYS A 41 4.674 12.531 -2.105 1.00 0.00 C ATOM 544 NZ LYS A 41 5.319 13.481 -3.040 1.00 0.00 N ATOM 0 H LYS A 41 1.829 10.627 1.477 1.00 0.00 H new ATOM 0 HA LYS A 41 1.056 9.618 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.708 11.948 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.390 11.458 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.963 10.511 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.901 12.255 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.391 10.498 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.903 11.704 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.000 13.069 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.430 12.057 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.842 14.199 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.977 12.966 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.591 13.946 -3.620 1.00 0.00 H new ATOM 558 N TYR A 42 2.865 8.353 -2.159 1.00 0.00 N ATOM 559 CA TYR A 42 3.735 7.335 -2.721 1.00 0.00 C ATOM 560 C TYR A 42 4.068 7.643 -4.183 1.00 0.00 C ATOM 561 O TYR A 42 4.625 6.803 -4.887 1.00 0.00 O ATOM 562 CB TYR A 42 2.948 6.025 -2.656 1.00 0.00 C ATOM 563 CG TYR A 42 3.530 4.904 -3.519 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.209 4.827 -4.859 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.377 3.970 -2.957 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.758 3.772 -5.671 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.926 2.915 -3.769 1.00 0.00 C ATOM 568 CZ TYR A 42 4.590 2.868 -5.086 1.00 0.00 C ATOM 569 OH TYR A 42 5.108 1.872 -5.853 1.00 0.00 O ATOM 0 H TYR A 42 2.180 8.735 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 42 4.674 7.287 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.908 5.688 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.921 6.214 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.546 5.558 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.628 4.030 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.515 3.700 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.590 2.178 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 42 5.616 2.261 -6.595 1.00 0.00 H new ATOM 579 N ASN A 43 3.711 8.851 -4.595 1.00 0.00 N ATOM 580 CA ASN A 43 3.964 9.281 -5.960 1.00 0.00 C ATOM 581 C ASN A 43 4.829 8.235 -6.667 1.00 0.00 C ATOM 582 O ASN A 43 6.056 8.327 -6.653 1.00 0.00 O ATOM 583 CB ASN A 43 4.715 10.612 -5.987 1.00 0.00 C ATOM 584 CG ASN A 43 3.760 11.775 -6.264 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.105 12.759 -6.898 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.543 11.608 -5.754 1.00 0.00 N ATOM 0 H ASN A 43 3.249 9.545 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 43 3.003 9.399 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.218 10.769 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.489 10.582 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.832 12.328 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.320 10.760 -5.233 1.00 0.00 H new ATOM 593 N ASN A 44 4.156 7.265 -7.268 1.00 0.00 N ATOM 594 CA ASN A 44 4.848 6.204 -7.979 1.00 0.00 C ATOM 595 C ASN A 44 5.850 6.820 -8.957 1.00 0.00 C ATOM 596 O ASN A 44 5.897 8.038 -9.117 1.00 0.00 O ATOM 597 CB ASN A 44 3.867 5.349 -8.784 1.00 0.00 C ATOM 598 CG ASN A 44 3.470 6.049 -10.085 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.446 6.705 -10.180 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.336 5.873 -11.080 1.00 0.00 N ATOM 0 H ASN A 44 3.139 7.192 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 44 5.352 5.578 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.321 4.384 -9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.977 5.151 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.161 6.300 -11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.175 5.311 -10.933 1.00 0.00 H new ATOM 607 N TYR A 45 6.628 5.950 -9.585 1.00 0.00 N ATOM 608 CA TYR A 45 7.626 6.393 -10.543 1.00 0.00 C ATOM 609 C TYR A 45 8.433 5.210 -11.081 1.00 0.00 C ATOM 610 O TYR A 45 8.683 5.118 -12.282 1.00 0.00 O ATOM 611 CB TYR A 45 8.563 7.326 -9.773 1.00 0.00 C ATOM 612 CG TYR A 45 8.264 8.814 -9.976 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.169 9.202 -10.721 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.089 9.766 -9.414 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.888 10.601 -10.912 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.808 11.165 -9.605 1.00 0.00 C ATOM 617 CZ TYR A 45 7.721 11.514 -10.344 1.00 0.00 C ATOM 618 OH TYR A 45 7.455 12.836 -10.524 1.00 0.00 O ATOM 0 H TYR A 45 6.587 4.940 -9.449 1.00 0.00 H new ATOM 0 HA TYR A 45 7.152 6.884 -11.393 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.497 7.094 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.590 7.127 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.523 8.456 -11.161 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.946 9.462 -8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.035 10.918 -11.493 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.446 11.921 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 45 8.132 13.372 -10.061 1.00 0.00 H new ATOM 628 N GLU A 46 8.819 4.333 -10.165 1.00 0.00 N ATOM 629 CA GLU A 46 9.593 3.160 -10.533 1.00 0.00 C ATOM 630 C GLU A 46 9.009 2.510 -11.789 1.00 0.00 C ATOM 631 O GLU A 46 9.697 1.764 -12.483 1.00 0.00 O ATOM 632 CB GLU A 46 9.656 2.159 -9.376 1.00 0.00 C ATOM 633 CG GLU A 46 10.350 2.772 -8.159 1.00 0.00 C ATOM 634 CD GLU A 46 11.274 3.920 -8.573 1.00 0.00 C ATOM 635 OE1 GLU A 46 10.770 5.062 -8.629 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.462 3.628 -8.826 1.00 0.00 O ATOM 0 H GLU A 46 8.610 4.412 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 46 10.613 3.477 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.647 1.847 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.192 1.265 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.602 3.138 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.926 2.006 -7.641 1.00 0.00 H new ATOM 643 N GLY A 47 7.745 2.819 -12.042 1.00 0.00 N ATOM 644 CA GLY A 47 7.060 2.273 -13.202 1.00 0.00 C ATOM 645 C GLY A 47 5.852 1.437 -12.782 1.00 0.00 C ATOM 646 O GLY A 47 5.737 0.272 -13.159 1.00 0.00 O ATOM 0 H GLY A 47 7.178 3.440 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.736 3.085 -13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.750 1.657 -13.780 1.00 0.00 H new ATOM 650 N PHE A 48 4.979 2.063 -12.006 1.00 0.00 N ATOM 651 CA PHE A 48 3.782 1.390 -11.531 1.00 0.00 C ATOM 652 C PHE A 48 2.565 1.775 -12.374 1.00 0.00 C ATOM 653 O PHE A 48 2.344 2.953 -12.652 1.00 0.00 O ATOM 654 CB PHE A 48 3.554 1.849 -10.089 1.00 0.00 C ATOM 655 CG PHE A 48 4.589 1.316 -9.096 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.434 0.079 -8.551 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.662 2.079 -8.757 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.394 -0.416 -7.629 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.622 1.584 -7.835 1.00 0.00 C ATOM 660 CZ PHE A 48 6.469 0.348 -7.291 1.00 0.00 C ATOM 0 H PHE A 48 5.077 3.029 -11.694 1.00 0.00 H new ATOM 0 HA PHE A 48 3.911 0.310 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.564 2.939 -10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.562 1.531 -9.770 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.581 -0.526 -8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.784 3.061 -9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.271 -1.398 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.474 2.190 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.200 -0.028 -6.591 1.00 0.00 H new ATOM 670 N ASP A 49 1.806 0.759 -12.758 1.00 0.00 N ATOM 671 CA ASP A 49 0.617 0.975 -13.565 1.00 0.00 C ATOM 672 C ASP A 49 -0.606 1.065 -12.649 1.00 0.00 C ATOM 673 O ASP A 49 -1.453 0.173 -12.651 1.00 0.00 O ATOM 674 CB ASP A 49 0.394 -0.181 -14.540 1.00 0.00 C ATOM 675 CG ASP A 49 1.667 -0.895 -14.998 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.619 -0.175 -15.369 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.660 -2.145 -14.968 1.00 0.00 O ATOM 0 H ASP A 49 1.992 -0.217 -12.525 1.00 0.00 H new ATOM 0 HA ASP A 49 0.755 1.898 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.265 -0.911 -14.070 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.127 0.200 -15.418 1.00 0.00 H new ATOM 682 N PHE A 50 -0.657 2.147 -11.888 1.00 0.00 N ATOM 683 CA PHE A 50 -1.762 2.365 -10.969 1.00 0.00 C ATOM 684 C PHE A 50 -3.019 2.810 -11.718 1.00 0.00 C ATOM 685 O PHE A 50 -3.131 3.968 -12.117 1.00 0.00 O ATOM 686 CB PHE A 50 -1.334 3.477 -10.009 1.00 0.00 C ATOM 687 CG PHE A 50 -0.251 3.057 -9.014 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.173 1.765 -8.974 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.290 3.976 -8.169 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.178 1.375 -8.050 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.295 3.586 -7.246 1.00 0.00 C ATOM 692 CZ PHE A 50 1.719 2.293 -7.205 1.00 0.00 C ATOM 0 H PHE A 50 0.049 2.883 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.994 1.440 -10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.970 4.324 -10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.208 3.821 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.255 1.035 -9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.045 5.002 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.513 0.349 -8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.724 4.316 -6.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.484 1.997 -6.502 1.00 0.00 H new ATOM 702 N SER A 51 -3.934 1.866 -11.887 1.00 0.00 N ATOM 703 CA SER A 51 -5.179 2.147 -12.582 1.00 0.00 C ATOM 704 C SER A 51 -6.074 3.033 -11.713 1.00 0.00 C ATOM 705 O SER A 51 -7.299 2.962 -11.804 1.00 0.00 O ATOM 706 CB SER A 51 -5.909 0.853 -12.949 1.00 0.00 C ATOM 707 OG SER A 51 -6.327 0.130 -11.795 1.00 0.00 O ATOM 0 H SER A 51 -3.838 0.906 -11.555 1.00 0.00 H new ATOM 0 HA SER A 51 -4.944 2.674 -13.507 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.778 1.089 -13.563 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.253 0.225 -13.552 1.00 0.00 H new ATOM 0 HG SER A 51 -6.790 -0.688 -12.072 1.00 0.00 H new ATOM 713 N VAL A 52 -5.428 3.847 -10.891 1.00 0.00 N ATOM 714 CA VAL A 52 -6.152 4.745 -10.007 1.00 0.00 C ATOM 715 C VAL A 52 -5.588 6.160 -10.153 1.00 0.00 C ATOM 716 O VAL A 52 -4.466 6.340 -10.626 1.00 0.00 O ATOM 717 CB VAL A 52 -6.092 4.224 -8.569 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.576 2.774 -8.491 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.683 4.364 -7.992 1.00 0.00 C ATOM 0 H VAL A 52 -4.412 3.904 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.206 4.784 -10.281 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.762 4.834 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.523 2.428 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.606 2.715 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.943 2.145 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.669 3.986 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.982 3.791 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.391 5.414 -7.995 1.00 0.00 H new ATOM 729 N SER A 53 -6.391 7.129 -9.739 1.00 0.00 N ATOM 730 CA SER A 53 -5.987 8.522 -9.819 1.00 0.00 C ATOM 731 C SER A 53 -5.275 8.934 -8.529 1.00 0.00 C ATOM 732 O SER A 53 -5.595 8.434 -7.451 1.00 0.00 O ATOM 733 CB SER A 53 -7.191 9.431 -10.074 1.00 0.00 C ATOM 734 OG SER A 53 -6.807 10.679 -10.646 1.00 0.00 O ATOM 0 H SER A 53 -7.320 6.977 -9.347 1.00 0.00 H new ATOM 0 HA SER A 53 -5.299 8.632 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.891 8.927 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.716 9.609 -9.136 1.00 0.00 H new ATOM 0 HG SER A 53 -7.604 11.230 -10.795 1.00 0.00 H new ATOM 740 N SER A 54 -4.321 9.841 -8.681 1.00 0.00 N ATOM 741 CA SER A 54 -3.561 10.326 -7.542 1.00 0.00 C ATOM 742 C SER A 54 -4.430 11.252 -6.688 1.00 0.00 C ATOM 743 O SER A 54 -5.543 11.599 -7.080 1.00 0.00 O ATOM 744 CB SER A 54 -2.295 11.056 -7.996 1.00 0.00 C ATOM 745 OG SER A 54 -2.492 12.465 -8.082 1.00 0.00 O ATOM 0 H SER A 54 -4.057 10.253 -9.576 1.00 0.00 H new ATOM 0 HA SER A 54 -3.258 9.468 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.485 10.845 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.985 10.673 -8.968 1.00 0.00 H new ATOM 0 HG SER A 54 -1.661 12.894 -8.373 1.00 0.00 H new ATOM 751 N PRO A 55 -3.874 11.634 -5.507 1.00 0.00 N ATOM 752 CA PRO A 55 -2.551 11.177 -5.120 1.00 0.00 C ATOM 753 C PRO A 55 -2.586 9.716 -4.670 1.00 0.00 C ATOM 754 O PRO A 55 -3.633 9.210 -4.271 1.00 0.00 O ATOM 755 CB PRO A 55 -2.113 12.127 -4.018 1.00 0.00 C ATOM 756 CG PRO A 55 -3.383 12.789 -3.509 1.00 0.00 C ATOM 757 CD PRO A 55 -4.490 12.508 -4.513 1.00 0.00 C ATOM 0 HA PRO A 55 -1.842 11.194 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.605 11.589 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.411 12.869 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.650 12.398 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.234 13.863 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.344 12.026 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.856 13.429 -4.967 1.00 0.00 H new ATOM 765 N TYR A 56 -1.427 9.078 -4.749 1.00 0.00 N ATOM 766 CA TYR A 56 -1.312 7.684 -4.354 1.00 0.00 C ATOM 767 C TYR A 56 -0.761 7.561 -2.932 1.00 0.00 C ATOM 768 O TYR A 56 0.275 8.140 -2.612 1.00 0.00 O ATOM 769 CB TYR A 56 -0.318 7.050 -5.330 1.00 0.00 C ATOM 770 CG TYR A 56 -0.790 7.048 -6.786 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.122 6.837 -7.078 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.116 7.256 -7.805 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.567 6.836 -8.448 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.329 7.255 -9.175 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.648 7.044 -9.429 1.00 0.00 C ATOM 776 OH TYR A 56 -2.069 7.042 -10.722 1.00 0.00 O ATOM 0 H TYR A 56 -0.560 9.500 -5.081 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.287 7.197 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.629 7.585 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.125 6.023 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.831 6.673 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.159 7.420 -7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.607 6.674 -8.691 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.369 7.418 -9.982 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.821 6.422 -10.820 1.00 0.00 H new ATOM 786 N TYR A 57 -1.478 6.801 -2.118 1.00 0.00 N ATOM 787 CA TYR A 57 -1.074 6.593 -0.738 1.00 0.00 C ATOM 788 C TYR A 57 -0.541 5.174 -0.529 1.00 0.00 C ATOM 789 O TYR A 57 -1.213 4.199 -0.863 1.00 0.00 O ATOM 790 CB TYR A 57 -2.338 6.779 0.104 1.00 0.00 C ATOM 791 CG TYR A 57 -3.002 8.148 -0.064 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.281 9.205 -0.580 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.321 8.324 0.302 1.00 0.00 C ATOM 794 CE1 TYR A 57 -2.906 10.493 -0.738 1.00 0.00 C ATOM 795 CE2 TYR A 57 -4.946 9.613 0.144 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.207 10.633 -0.368 1.00 0.00 C ATOM 797 OH TYR A 57 -4.797 11.850 -0.517 1.00 0.00 O ATOM 0 H TYR A 57 -2.337 6.321 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.281 7.288 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.056 6.003 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.087 6.635 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.249 9.067 -0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.885 7.496 0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.354 11.329 -1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.977 9.765 0.426 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.123 12.554 -0.421 1.00 0.00 H new ATOM 807 N GLU A 58 0.662 5.104 0.021 1.00 0.00 N ATOM 808 CA GLU A 58 1.293 3.819 0.278 1.00 0.00 C ATOM 809 C GLU A 58 0.973 3.345 1.697 1.00 0.00 C ATOM 810 O GLU A 58 1.044 4.123 2.646 1.00 0.00 O ATOM 811 CB GLU A 58 2.805 3.897 0.054 1.00 0.00 C ATOM 812 CG GLU A 58 3.428 5.006 0.904 1.00 0.00 C ATOM 813 CD GLU A 58 4.956 4.941 0.854 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.516 4.141 1.634 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.529 5.694 0.037 1.00 0.00 O ATOM 0 H GLU A 58 1.217 5.915 0.296 1.00 0.00 H new ATOM 0 HA GLU A 58 0.891 3.091 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.263 2.940 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.011 4.082 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.090 5.978 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.090 4.912 1.936 1.00 0.00 H new ATOM 822 N TRP A 59 0.625 2.070 1.795 1.00 0.00 N ATOM 823 CA TRP A 59 0.293 1.482 3.082 1.00 0.00 C ATOM 824 C TRP A 59 0.744 0.021 3.065 1.00 0.00 C ATOM 825 O TRP A 59 0.761 -0.616 2.012 1.00 0.00 O ATOM 826 CB TRP A 59 -1.196 1.644 3.391 1.00 0.00 C ATOM 827 CG TRP A 59 -1.695 0.762 4.537 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.269 -0.446 4.459 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.638 1.070 5.946 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.585 -0.938 5.708 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.189 0.013 6.642 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.137 2.203 6.611 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.293 -0.016 8.038 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.248 2.159 8.006 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.800 1.103 8.721 1.00 0.00 C ATOM 0 H TRP A 59 0.566 1.428 1.005 1.00 0.00 H new ATOM 0 HA TRP A 59 0.815 1.998 3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.394 2.687 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.770 1.414 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.460 -0.969 3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.028 -1.835 5.910 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.701 3.041 6.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.729 -0.855 8.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.879 3.005 8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.849 1.145 9.799 1.00 0.00 H new ATOM 846 N PRO A 60 1.109 -0.483 4.274 1.00 0.00 N ATOM 847 CA PRO A 60 1.559 -1.858 4.408 1.00 0.00 C ATOM 848 C PRO A 60 0.382 -2.831 4.319 1.00 0.00 C ATOM 849 O PRO A 60 -0.746 -2.480 4.664 1.00 0.00 O ATOM 850 CB PRO A 60 2.273 -1.910 5.749 1.00 0.00 C ATOM 851 CG PRO A 60 1.796 -0.691 6.522 1.00 0.00 C ATOM 852 CD PRO A 60 1.103 0.241 5.542 1.00 0.00 C ATOM 0 HA PRO A 60 2.229 -2.161 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.034 -2.830 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.355 -1.890 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.111 -0.987 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.638 -0.187 6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.087 0.469 5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.631 1.191 5.458 1.00 0.00 H new ATOM 860 N ILE A 61 0.684 -4.034 3.855 1.00 0.00 N ATOM 861 CA ILE A 61 -0.335 -5.061 3.716 1.00 0.00 C ATOM 862 C ILE A 61 0.049 -6.273 4.568 1.00 0.00 C ATOM 863 O ILE A 61 1.084 -6.896 4.337 1.00 0.00 O ATOM 864 CB ILE A 61 -0.563 -5.395 2.241 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.916 -6.078 2.035 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.592 -6.229 1.683 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.150 -6.398 0.558 1.00 0.00 C ATOM 0 H ILE A 61 1.620 -4.321 3.570 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.293 -4.699 4.088 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.586 -4.461 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.956 -6.997 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.713 -5.431 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.405 -6.453 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.523 -5.669 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.672 -7.160 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.119 -6.883 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.133 -5.475 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.365 -7.065 0.201 1.00 0.00 H new ATOM 879 N LEU A 62 -0.806 -6.570 5.536 1.00 0.00 N ATOM 880 CA LEU A 62 -0.570 -7.696 6.424 1.00 0.00 C ATOM 881 C LEU A 62 -1.154 -8.964 5.798 1.00 0.00 C ATOM 882 O LEU A 62 -2.352 -9.034 5.532 1.00 0.00 O ATOM 883 CB LEU A 62 -1.108 -7.396 7.824 1.00 0.00 C ATOM 884 CG LEU A 62 -0.370 -6.310 8.609 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.147 -5.918 9.867 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.062 -6.743 8.930 1.00 0.00 C ATOM 0 H LEU A 62 -1.663 -6.050 5.725 1.00 0.00 H new ATOM 0 HA LEU A 62 0.499 -7.866 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.154 -7.104 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.083 -8.317 8.406 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.304 -5.421 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.600 -5.145 10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.129 -5.538 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.266 -6.792 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.564 -5.953 9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.041 -7.654 9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.602 -6.931 8.002 1.00 0.00 H new ATOM 898 N SER A 63 -0.279 -9.936 5.582 1.00 0.00 N ATOM 899 CA SER A 63 -0.694 -11.198 4.994 1.00 0.00 C ATOM 900 C SER A 63 -1.786 -11.841 5.850 1.00 0.00 C ATOM 901 O SER A 63 -2.411 -12.816 5.435 1.00 0.00 O ATOM 902 CB SER A 63 0.494 -12.151 4.843 1.00 0.00 C ATOM 903 OG SER A 63 0.310 -13.067 3.766 1.00 0.00 O ATOM 0 H SER A 63 0.715 -9.875 5.804 1.00 0.00 H new ATOM 0 HA SER A 63 -1.093 -10.998 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.403 -11.573 4.676 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.634 -12.706 5.771 1.00 0.00 H new ATOM 0 HG SER A 63 1.090 -13.657 3.701 1.00 0.00 H new ATOM 909 N SER A 64 -1.982 -11.271 7.029 1.00 0.00 N ATOM 910 CA SER A 64 -2.988 -11.777 7.948 1.00 0.00 C ATOM 911 C SER A 64 -4.326 -11.081 7.692 1.00 0.00 C ATOM 912 O SER A 64 -5.369 -11.549 8.148 1.00 0.00 O ATOM 913 CB SER A 64 -2.555 -11.578 9.402 1.00 0.00 C ATOM 914 OG SER A 64 -1.823 -12.695 9.899 1.00 0.00 O ATOM 0 H SER A 64 -1.461 -10.463 7.370 1.00 0.00 H new ATOM 0 HA SER A 64 -3.103 -12.847 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.942 -10.680 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.436 -11.416 10.024 1.00 0.00 H new ATOM 0 HG SER A 64 -1.563 -12.528 10.829 1.00 0.00 H new ATOM 920 N GLY A 65 -4.254 -9.977 6.964 1.00 0.00 N ATOM 921 CA GLY A 65 -5.447 -9.213 6.643 1.00 0.00 C ATOM 922 C GLY A 65 -5.845 -8.302 7.806 1.00 0.00 C ATOM 923 O GLY A 65 -7.031 -8.135 8.090 1.00 0.00 O ATOM 0 H GLY A 65 -3.387 -9.593 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.269 -8.613 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.267 -9.893 6.412 1.00 0.00 H new ATOM 927 N ASP A 66 -4.833 -7.739 8.448 1.00 0.00 N ATOM 928 CA ASP A 66 -5.062 -6.850 9.574 1.00 0.00 C ATOM 929 C ASP A 66 -4.620 -5.434 9.198 1.00 0.00 C ATOM 930 O ASP A 66 -4.281 -5.170 8.045 1.00 0.00 O ATOM 931 CB ASP A 66 -4.254 -7.289 10.796 1.00 0.00 C ATOM 932 CG ASP A 66 -4.785 -8.533 11.510 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.026 -8.692 11.525 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.941 -9.297 12.024 1.00 0.00 O ATOM 0 H ASP A 66 -3.851 -7.881 8.210 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.124 -6.879 9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.227 -7.478 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.224 -6.465 11.508 1.00 0.00 H new ATOM 939 N VAL A 67 -4.638 -4.559 10.193 1.00 0.00 N ATOM 940 CA VAL A 67 -4.242 -3.177 9.982 1.00 0.00 C ATOM 941 C VAL A 67 -2.904 -2.921 10.678 1.00 0.00 C ATOM 942 O VAL A 67 -2.839 -2.874 11.906 1.00 0.00 O ATOM 943 CB VAL A 67 -5.353 -2.237 10.457 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.830 -0.808 10.617 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.550 -2.279 9.506 1.00 0.00 C ATOM 0 H VAL A 67 -4.921 -4.781 11.148 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.098 -2.979 8.920 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.689 -2.582 11.435 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.639 -0.160 10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.024 -0.796 11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.454 -0.449 9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.325 -1.602 9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.234 -1.971 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.945 -3.294 9.463 1.00 0.00 H new ATOM 955 N TYR A 68 -1.870 -2.764 9.864 1.00 0.00 N ATOM 956 CA TYR A 68 -0.538 -2.515 10.387 1.00 0.00 C ATOM 957 C TYR A 68 -0.577 -1.485 11.518 1.00 0.00 C ATOM 958 O TYR A 68 -1.546 -0.740 11.651 1.00 0.00 O ATOM 959 CB TYR A 68 0.273 -1.944 9.221 1.00 0.00 C ATOM 960 CG TYR A 68 1.756 -1.739 9.535 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.474 -2.740 10.157 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.375 -0.553 9.198 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.870 -2.548 10.452 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.771 -0.361 9.493 1.00 0.00 C ATOM 965 CZ TYR A 68 4.450 -1.368 10.106 1.00 0.00 C ATOM 966 OH TYR A 68 5.768 -1.186 10.386 1.00 0.00 O ATOM 0 H TYR A 68 -1.928 -2.804 8.846 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.105 -3.432 10.788 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.183 -2.615 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.160 -0.989 8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.989 -3.668 10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.813 0.231 8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.444 -3.324 10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.268 0.562 9.233 1.00 0.00 H new ATOM 0 HH TYR A 68 5.991 -1.646 11.222 1.00 0.00 H new ATOM 976 N SER A 69 0.490 -1.478 12.304 1.00 0.00 N ATOM 977 CA SER A 69 0.591 -0.551 13.420 1.00 0.00 C ATOM 978 C SER A 69 2.046 -0.440 13.878 1.00 0.00 C ATOM 979 O SER A 69 2.344 -0.608 15.059 1.00 0.00 O ATOM 980 CB SER A 69 -0.300 -0.993 14.583 1.00 0.00 C ATOM 981 OG SER A 69 -0.064 -2.348 14.952 1.00 0.00 O ATOM 0 H SER A 69 1.292 -2.099 12.191 1.00 0.00 H new ATOM 0 HA SER A 69 0.247 0.428 13.085 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.121 -0.347 15.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.347 -0.870 14.305 1.00 0.00 H new ATOM 0 HG SER A 69 -0.651 -2.591 15.698 1.00 0.00 H new ATOM 987 N GLY A 70 2.915 -0.156 12.918 1.00 0.00 N ATOM 988 CA GLY A 70 4.333 -0.021 13.208 1.00 0.00 C ATOM 989 C GLY A 70 5.052 0.728 12.085 1.00 0.00 C ATOM 990 O GLY A 70 4.411 1.317 11.216 1.00 0.00 O ATOM 0 H GLY A 70 2.664 -0.016 11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.466 0.512 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.778 -1.008 13.335 1.00 0.00 H new ATOM 994 N GLY A 71 6.375 0.679 12.138 1.00 0.00 N ATOM 995 CA GLY A 71 7.189 1.345 11.136 1.00 0.00 C ATOM 996 C GLY A 71 7.714 0.345 10.103 1.00 0.00 C ATOM 997 O GLY A 71 7.894 0.689 8.936 1.00 0.00 O ATOM 0 H GLY A 71 6.903 0.188 12.859 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.600 2.114 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.027 1.848 11.619 1.00 0.00 H new ATOM 1001 N SER A 72 7.944 -0.874 10.570 1.00 0.00 N ATOM 1002 CA SER A 72 8.444 -1.926 9.701 1.00 0.00 C ATOM 1003 C SER A 72 7.377 -3.007 9.522 1.00 0.00 C ATOM 1004 O SER A 72 7.391 -4.019 10.220 1.00 0.00 O ATOM 1005 CB SER A 72 9.731 -2.536 10.261 1.00 0.00 C ATOM 1006 OG SER A 72 10.689 -1.540 10.607 1.00 0.00 O ATOM 0 H SER A 72 7.793 -1.156 11.539 1.00 0.00 H new ATOM 0 HA SER A 72 8.674 -1.488 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.495 -3.133 11.142 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.162 -3.212 9.523 1.00 0.00 H new ATOM 0 HG SER A 72 11.495 -1.970 10.962 1.00 0.00 H new ATOM 1012 N PRO A 73 6.454 -2.749 8.556 1.00 0.00 N ATOM 1013 CA PRO A 73 5.383 -3.690 8.276 1.00 0.00 C ATOM 1014 C PRO A 73 5.905 -4.901 7.502 1.00 0.00 C ATOM 1015 O PRO A 73 5.664 -6.043 7.893 1.00 0.00 O ATOM 1016 CB PRO A 73 4.350 -2.889 7.499 1.00 0.00 C ATOM 1017 CG PRO A 73 5.083 -1.665 6.972 1.00 0.00 C ATOM 1018 CD PRO A 73 6.408 -1.561 7.709 1.00 0.00 C ATOM 0 HA PRO A 73 4.945 -4.110 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.934 -3.477 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.517 -2.600 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.249 -1.753 5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.487 -0.766 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.247 -1.537 7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.460 -0.649 8.303 1.00 0.00 H new ATOM 1026 N GLY A 74 6.610 -4.613 6.418 1.00 0.00 N ATOM 1027 CA GLY A 74 7.168 -5.666 5.586 1.00 0.00 C ATOM 1028 C GLY A 74 7.250 -5.223 4.124 1.00 0.00 C ATOM 1029 O GLY A 74 6.736 -4.165 3.762 1.00 0.00 O ATOM 0 H GLY A 74 6.808 -3.665 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.162 -5.931 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.552 -6.562 5.664 1.00 0.00 H new ATOM 1033 N ALA A 75 7.900 -6.054 3.323 1.00 0.00 N ATOM 1034 CA ALA A 75 8.056 -5.762 1.908 1.00 0.00 C ATOM 1035 C ALA A 75 6.680 -5.511 1.289 1.00 0.00 C ATOM 1036 O ALA A 75 6.501 -4.557 0.531 1.00 0.00 O ATOM 1037 CB ALA A 75 8.800 -6.914 1.228 1.00 0.00 C ATOM 0 H ALA A 75 8.325 -6.930 3.627 1.00 0.00 H new ATOM 0 HA ALA A 75 8.651 -4.860 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.917 -6.695 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.783 -7.032 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.231 -7.836 1.348 1.00 0.00 H new ATOM 1043 N ASP A 76 5.743 -6.380 1.635 1.00 0.00 N ATOM 1044 CA ASP A 76 4.387 -6.264 1.123 1.00 0.00 C ATOM 1045 C ASP A 76 3.804 -4.912 1.541 1.00 0.00 C ATOM 1046 O ASP A 76 3.799 -4.572 2.723 1.00 0.00 O ATOM 1047 CB ASP A 76 3.488 -7.363 1.690 1.00 0.00 C ATOM 1048 CG ASP A 76 4.104 -8.763 1.698 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.910 -9.034 0.782 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.757 -9.532 2.621 1.00 0.00 O ATOM 0 H ASP A 76 5.895 -7.168 2.264 1.00 0.00 H new ATOM 0 HA ASP A 76 4.427 -6.356 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.215 -7.097 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.565 -7.392 1.110 1.00 0.00 H new ATOM 1055 N ARG A 77 3.324 -4.179 0.547 1.00 0.00 N ATOM 1056 CA ARG A 77 2.739 -2.872 0.797 1.00 0.00 C ATOM 1057 C ARG A 77 1.684 -2.551 -0.264 1.00 0.00 C ATOM 1058 O ARG A 77 1.877 -2.844 -1.444 1.00 0.00 O ATOM 1059 CB ARG A 77 3.809 -1.779 0.789 1.00 0.00 C ATOM 1060 CG ARG A 77 4.936 -2.108 1.770 1.00 0.00 C ATOM 1061 CD ARG A 77 4.678 -1.471 3.137 1.00 0.00 C ATOM 1062 NE ARG A 77 5.763 -0.521 3.466 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.814 -0.819 4.242 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.928 -2.044 4.773 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.751 0.106 4.486 1.00 0.00 N ATOM 0 H ARG A 77 3.328 -4.465 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 77 2.272 -2.900 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.217 -1.672 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.359 -0.822 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.023 -3.189 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.885 -1.750 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.719 -0.953 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.617 -2.245 3.902 1.00 0.00 H new ATOM 0 HE ARG A 77 5.708 0.421 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.215 -2.749 4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.728 -2.271 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.665 1.038 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.551 -0.122 5.077 1.00 0.00 H new ATOM 1079 N VAL A 78 0.594 -1.955 0.193 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.492 -1.591 -0.703 1.00 0.00 C ATOM 1081 C VAL A 78 -0.480 -0.077 -0.923 1.00 0.00 C ATOM 1082 O VAL A 78 -0.163 0.684 -0.010 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.822 -2.104 -0.148 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.022 -3.584 -0.482 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.916 -1.865 1.361 1.00 0.00 C ATOM 0 H VAL A 78 0.438 -1.714 1.172 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.358 -2.062 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.623 -1.541 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.975 -3.923 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.021 -3.716 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.213 -4.168 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.871 -2.239 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.103 -2.389 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.841 -0.797 1.566 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.830 0.314 -2.140 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.863 1.723 -2.491 1.00 0.00 C ATOM 1097 C VAL A 79 -2.273 2.096 -2.956 1.00 0.00 C ATOM 1098 O VAL A 79 -2.912 1.335 -3.683 1.00 0.00 O ATOM 1099 CB VAL A 79 0.210 2.027 -3.538 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.088 3.464 -4.049 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.610 1.762 -2.980 1.00 0.00 C ATOM 0 H VAL A 79 -1.093 -0.320 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.634 2.338 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 79 0.052 1.357 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.863 3.653 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.893 3.607 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.207 4.158 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.355 1.986 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.781 2.396 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.693 0.715 -2.688 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.717 3.264 -2.518 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.039 3.746 -2.880 1.00 0.00 C ATOM 1113 C PHE A 80 -4.055 5.271 -2.993 1.00 0.00 C ATOM 1114 O PHE A 80 -3.005 5.899 -3.123 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.993 3.319 -1.762 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.736 4.017 -0.425 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.587 3.772 0.260 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.656 4.883 0.078 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.348 4.421 1.501 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.418 5.530 1.319 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.269 5.285 2.004 1.00 0.00 C ATOM 0 H PHE A 80 -2.185 3.891 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.333 3.334 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.017 3.522 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.910 2.242 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.856 3.084 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.568 5.079 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.435 4.228 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.149 6.217 1.719 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.088 5.777 2.948 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.258 5.824 -2.940 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.424 7.264 -3.034 1.00 0.00 C ATOM 1133 C ASN A 81 -6.382 7.737 -1.938 1.00 0.00 C ATOM 1134 O ASN A 81 -6.658 7.000 -0.991 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.021 7.663 -4.386 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.667 6.638 -5.465 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.799 6.848 -6.297 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.383 5.520 -5.405 1.00 0.00 N ATOM 0 H ASN A 81 -6.127 5.300 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.442 7.723 -2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.104 7.746 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.649 8.645 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.221 4.774 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.095 5.408 -4.683 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.862 8.960 -2.101 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.782 9.538 -1.137 1.00 0.00 C ATOM 1147 C GLU A 82 -9.228 9.275 -1.560 1.00 0.00 C ATOM 1148 O GLU A 82 -10.145 9.960 -1.109 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.526 11.038 -0.966 1.00 0.00 C ATOM 1150 CG GLU A 82 -7.847 11.488 0.461 1.00 0.00 C ATOM 1151 CD GLU A 82 -7.184 12.832 0.773 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.294 13.732 -0.088 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -6.583 12.929 1.865 1.00 0.00 O ATOM 0 H GLU A 82 -6.631 9.568 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.613 9.061 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.484 11.262 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.137 11.598 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.927 11.573 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.503 10.735 1.170 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.388 8.279 -2.420 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.707 7.916 -2.908 1.00 0.00 C ATOM 1162 C ASN A 83 -11.143 6.602 -2.256 1.00 0.00 C ATOM 1163 O ASN A 83 -12.335 6.371 -2.052 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.696 7.711 -4.424 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.266 7.710 -4.967 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.629 8.740 -5.113 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.797 6.500 -5.256 1.00 0.00 N ATOM 0 H ASN A 83 -8.625 7.712 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.394 8.725 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.183 6.767 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.271 8.502 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.851 6.394 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.383 5.678 -5.110 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.156 5.775 -1.946 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.422 4.491 -1.322 1.00 0.00 C ATOM 1176 C ASN A 84 -10.105 3.370 -2.314 1.00 0.00 C ATOM 1177 O ASN A 84 -10.600 2.253 -2.173 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.895 4.367 -0.924 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.760 4.001 -2.132 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.840 3.447 -2.009 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.226 4.340 -3.302 1.00 0.00 N ATOM 0 H ASN A 84 -9.169 5.970 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.799 4.414 -0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.004 3.607 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.240 5.308 -0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.725 4.138 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.317 4.802 -3.333 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.281 3.708 -3.295 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.891 2.743 -4.310 1.00 0.00 C ATOM 1190 C GLN A 85 -7.550 2.104 -3.947 1.00 0.00 C ATOM 1191 O GLN A 85 -7.005 2.361 -2.875 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.831 3.397 -5.692 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.224 3.825 -6.157 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.139 4.711 -7.402 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -9.881 4.253 -8.504 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -10.369 5.999 -7.167 1.00 0.00 N ATOM 0 H GLN A 85 -8.873 4.636 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.646 1.958 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.172 4.265 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.403 2.698 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.826 2.943 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.729 4.365 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.579 6.315 -6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.335 6.671 -7.933 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.056 1.282 -4.862 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.788 0.604 -4.652 1.00 0.00 C ATOM 1207 C LEU A 86 -4.889 0.825 -5.869 1.00 0.00 C ATOM 1208 O LEU A 86 -5.295 0.566 -7.001 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.019 -0.871 -4.317 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.415 -1.883 -5.293 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.239 -2.626 -4.655 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.483 -2.843 -5.818 1.00 0.00 C ATOM 0 H LEU A 86 -7.511 1.070 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.268 1.025 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.612 -1.066 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.093 -1.047 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.023 -1.338 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.828 -3.339 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.467 -1.910 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.583 -3.159 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.027 -3.552 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.927 -3.385 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.257 -2.278 -6.336 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.683 1.301 -5.596 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.722 1.560 -6.655 1.00 0.00 C ATOM 1226 C ALA A 87 -2.211 0.229 -7.211 1.00 0.00 C ATOM 1227 O ALA A 87 -2.034 0.085 -8.419 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.591 2.439 -6.115 1.00 0.00 C ATOM 0 H ALA A 87 -3.349 1.514 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.192 2.102 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.870 2.633 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.002 3.384 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.094 1.927 -5.291 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.992 -0.710 -6.302 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.506 -2.024 -6.687 1.00 0.00 C ATOM 1236 C GLY A 88 -0.988 -2.795 -5.470 1.00 0.00 C ATOM 1237 O GLY A 88 -1.606 -2.771 -4.407 1.00 0.00 O ATOM 0 H GLY A 88 -2.142 -0.587 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.308 -2.587 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.708 -1.920 -7.423 1.00 0.00 H new ATOM 1241 N VAL A 89 0.141 -3.460 -5.668 1.00 0.00 N ATOM 1242 CA VAL A 89 0.748 -4.235 -4.600 1.00 0.00 C ATOM 1243 C VAL A 89 2.270 -4.215 -4.762 1.00 0.00 C ATOM 1244 O VAL A 89 2.826 -4.997 -5.531 1.00 0.00 O ATOM 1245 CB VAL A 89 0.168 -5.651 -4.587 1.00 0.00 C ATOM 1246 CG1 VAL A 89 1.060 -6.602 -3.787 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.262 -5.652 -4.042 1.00 0.00 C ATOM 0 H VAL A 89 0.651 -3.478 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 89 0.518 -3.794 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 89 0.135 -6.009 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.625 -7.601 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.052 -6.635 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.140 -6.248 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.651 -6.670 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.263 -5.264 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.891 -5.022 -4.671 1.00 0.00 H new ATOM 1257 N ILE A 90 2.899 -3.311 -4.026 1.00 0.00 N ATOM 1258 CA ILE A 90 4.345 -3.179 -4.078 1.00 0.00 C ATOM 1259 C ILE A 90 4.975 -4.080 -3.015 1.00 0.00 C ATOM 1260 O ILE A 90 4.284 -4.568 -2.121 1.00 0.00 O ATOM 1261 CB ILE A 90 4.753 -1.709 -3.959 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.513 -1.187 -2.541 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.043 -0.855 -5.012 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.250 0.320 -2.549 1.00 0.00 C ATOM 0 H ILE A 90 2.434 -2.663 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 90 4.723 -3.514 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 90 5.823 -1.635 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.663 -1.706 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.380 -1.405 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.351 0.185 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.307 -1.211 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.964 -0.930 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.083 0.666 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.112 0.837 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.368 0.532 -3.153 1.00 0.00 H new ATOM 1276 N THR A 91 6.279 -4.274 -3.146 1.00 0.00 N ATOM 1277 CA THR A 91 7.010 -5.109 -2.207 1.00 0.00 C ATOM 1278 C THR A 91 8.508 -4.807 -2.280 1.00 0.00 C ATOM 1279 O THR A 91 9.017 -4.424 -3.332 1.00 0.00 O ATOM 1280 CB THR A 91 6.668 -6.569 -2.507 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.808 -7.293 -2.053 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.614 -6.861 -4.008 1.00 0.00 C ATOM 0 H THR A 91 6.849 -3.867 -3.888 1.00 0.00 H new ATOM 0 HA THR A 91 6.718 -4.898 -1.178 1.00 0.00 H new ATOM 0 HB THR A 91 5.708 -6.817 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.007 -8.017 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.367 -7.911 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.852 -6.236 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.584 -6.645 -4.456 1.00 0.00 H new ATOM 1290 N HIS A 92 9.172 -4.993 -1.149 1.00 0.00 N ATOM 1291 CA HIS A 92 10.602 -4.747 -1.071 1.00 0.00 C ATOM 1292 C HIS A 92 11.358 -5.900 -1.734 1.00 0.00 C ATOM 1293 O HIS A 92 12.563 -6.052 -1.536 1.00 0.00 O ATOM 1294 CB HIS A 92 11.034 -4.509 0.377 1.00 0.00 C ATOM 1295 CG HIS A 92 10.780 -3.104 0.871 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.570 -2.491 1.827 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.817 -2.200 0.530 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.096 -1.274 2.045 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.008 -1.096 1.241 1.00 0.00 N ATOM 0 H HIS A 92 8.746 -5.311 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 92 10.848 -3.836 -1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.507 -5.211 1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.098 -4.729 0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.032 -2.356 -0.195 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.499 -0.550 2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.436 -0.253 1.194 1.00 0.00 H new ATOM 1308 N THR A 93 10.620 -6.682 -2.507 1.00 0.00 N ATOM 1309 CA THR A 93 11.206 -7.817 -3.200 1.00 0.00 C ATOM 1310 C THR A 93 12.456 -7.385 -3.968 1.00 0.00 C ATOM 1311 O THR A 93 12.379 -7.045 -5.147 1.00 0.00 O ATOM 1312 CB THR A 93 10.128 -8.434 -4.093 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.529 -9.435 -3.273 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.718 -9.217 -5.267 1.00 0.00 C ATOM 0 H THR A 93 9.621 -6.552 -2.669 1.00 0.00 H new ATOM 0 HA THR A 93 11.542 -8.579 -2.497 1.00 0.00 H new ATOM 0 HB THR A 93 9.477 -7.647 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.817 -9.885 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.910 -9.634 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.322 -8.550 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.343 -10.026 -4.888 1.00 0.00 H new ATOM 1322 N GLY A 94 13.581 -7.413 -3.268 1.00 0.00 N ATOM 1323 CA GLY A 94 14.847 -7.029 -3.869 1.00 0.00 C ATOM 1324 C GLY A 94 14.653 -5.890 -4.872 1.00 0.00 C ATOM 1325 O GLY A 94 15.270 -5.883 -5.936 1.00 0.00 O ATOM 0 H GLY A 94 13.642 -7.696 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.544 -6.719 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.291 -7.889 -4.371 1.00 0.00 H new ATOM 1329 N ALA A 95 13.795 -4.953 -4.497 1.00 0.00 N ATOM 1330 CA ALA A 95 13.513 -3.811 -5.350 1.00 0.00 C ATOM 1331 C ALA A 95 14.815 -3.057 -5.633 1.00 0.00 C ATOM 1332 O ALA A 95 14.862 -2.204 -6.518 1.00 0.00 O ATOM 1333 CB ALA A 95 12.459 -2.924 -4.684 1.00 0.00 C ATOM 0 H ALA A 95 13.286 -4.961 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 95 13.107 -4.138 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.247 -2.067 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.545 -3.497 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.833 -2.574 -3.722 1.00 0.00 H new ATOM 1339 N SER A 96 15.838 -3.400 -4.865 1.00 0.00 N ATOM 1340 CA SER A 96 17.136 -2.767 -5.023 1.00 0.00 C ATOM 1341 C SER A 96 17.320 -1.679 -3.964 1.00 0.00 C ATOM 1342 O SER A 96 17.747 -0.568 -4.277 1.00 0.00 O ATOM 1343 CB SER A 96 17.294 -2.175 -6.425 1.00 0.00 C ATOM 1344 OG SER A 96 18.663 -1.990 -6.775 1.00 0.00 O ATOM 0 H SER A 96 15.795 -4.108 -4.132 1.00 0.00 H new ATOM 0 HA SER A 96 17.905 -3.528 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.820 -2.834 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.774 -1.218 -6.475 1.00 0.00 H new ATOM 0 HG SER A 96 18.722 -1.612 -7.677 1.00 0.00 H new ATOM 1350 N GLY A 97 16.987 -2.034 -2.731 1.00 0.00 N ATOM 1351 CA GLY A 97 17.110 -1.102 -1.624 1.00 0.00 C ATOM 1352 C GLY A 97 15.763 -0.898 -0.927 1.00 0.00 C ATOM 1353 O GLY A 97 15.071 -1.865 -0.611 1.00 0.00 O ATOM 0 H GLY A 97 16.632 -2.955 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.841 -1.477 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.483 -0.145 -1.989 1.00 0.00 H new ATOM 1357 N ASN A 98 15.431 0.365 -0.708 1.00 0.00 N ATOM 1358 CA ASN A 98 14.180 0.708 -0.054 1.00 0.00 C ATOM 1359 C ASN A 98 13.115 0.989 -1.116 1.00 0.00 C ATOM 1360 O ASN A 98 12.028 1.469 -0.798 1.00 0.00 O ATOM 1361 CB ASN A 98 14.333 1.964 0.806 1.00 0.00 C ATOM 1362 CG ASN A 98 12.994 2.374 1.421 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.738 3.535 1.697 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.158 1.361 1.621 1.00 0.00 N ATOM 0 H ASN A 98 16.007 1.164 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 98 13.891 -0.130 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.060 1.781 1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.723 2.780 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.239 1.531 2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.436 0.413 1.367 1.00 0.00 H new ATOM 1371 N ASN A 99 13.465 0.679 -2.356 1.00 0.00 N ATOM 1372 CA ASN A 99 12.552 0.892 -3.466 1.00 0.00 C ATOM 1373 C ASN A 99 11.440 -0.157 -3.415 1.00 0.00 C ATOM 1374 O ASN A 99 11.602 -1.210 -2.800 1.00 0.00 O ATOM 1375 CB ASN A 99 13.274 0.751 -4.807 1.00 0.00 C ATOM 1376 CG ASN A 99 14.516 -0.135 -4.671 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.547 0.101 -5.279 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.359 -1.162 -3.843 1.00 0.00 N ATOM 0 H ASN A 99 14.368 0.282 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 99 12.145 1.899 -3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.596 0.323 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.564 1.736 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.129 -1.812 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.468 -1.301 -3.366 1.00 0.00 H new ATOM 1385 N PHE A 100 10.335 0.166 -4.071 1.00 0.00 N ATOM 1386 CA PHE A 100 9.196 -0.734 -4.108 1.00 0.00 C ATOM 1387 C PHE A 100 8.981 -1.289 -5.518 1.00 0.00 C ATOM 1388 O PHE A 100 9.570 -0.797 -6.479 1.00 0.00 O ATOM 1389 CB PHE A 100 7.966 0.080 -3.701 1.00 0.00 C ATOM 1390 CG PHE A 100 7.784 0.216 -2.188 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.678 -0.896 -1.412 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.726 1.450 -1.618 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.510 -0.769 -0.008 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.557 1.577 -0.214 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.452 0.464 0.561 1.00 0.00 C ATOM 0 H PHE A 100 10.205 1.039 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 100 9.367 -1.575 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.040 1.075 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.077 -0.388 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.722 -1.876 -1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.809 2.333 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.428 -1.652 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.512 2.557 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.322 0.560 1.629 1.00 0.00 H new ATOM 1405 N VAL A 101 8.136 -2.306 -5.597 1.00 0.00 N ATOM 1406 CA VAL A 101 7.836 -2.933 -6.873 1.00 0.00 C ATOM 1407 C VAL A 101 6.551 -3.754 -6.744 1.00 0.00 C ATOM 1408 O VAL A 101 6.384 -4.503 -5.783 1.00 0.00 O ATOM 1409 CB VAL A 101 9.032 -3.763 -7.342 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.237 -2.869 -7.643 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.390 -4.838 -6.313 1.00 0.00 C ATOM 0 H VAL A 101 7.649 -2.712 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 101 7.662 -2.177 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 101 8.749 -4.265 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.073 -3.485 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.976 -2.159 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.521 -2.326 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.243 -5.414 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.644 -4.364 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.538 -5.503 -6.170 1.00 0.00 H new ATOM 1421 N GLU A 102 5.679 -3.586 -7.726 1.00 0.00 N ATOM 1422 CA GLU A 102 4.414 -4.302 -7.734 1.00 0.00 C ATOM 1423 C GLU A 102 4.656 -5.807 -7.591 1.00 0.00 C ATOM 1424 O GLU A 102 5.411 -6.393 -8.365 1.00 0.00 O ATOM 1425 CB GLU A 102 3.617 -3.993 -9.002 1.00 0.00 C ATOM 1426 CG GLU A 102 4.541 -3.542 -10.135 1.00 0.00 C ATOM 1427 CD GLU A 102 3.888 -3.772 -11.500 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.173 -4.789 -11.622 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.121 -2.924 -12.389 1.00 0.00 O ATOM 0 H GLU A 102 5.823 -2.965 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 102 3.823 -3.966 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.062 -4.878 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.884 -3.214 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.780 -2.485 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.482 -4.089 -10.081 1.00 0.00 H new ATOM 1436 N CYS A 103 4.000 -6.387 -6.597 1.00 0.00 N ATOM 1437 CA CYS A 103 4.134 -7.811 -6.344 1.00 0.00 C ATOM 1438 C CYS A 103 3.755 -8.564 -7.620 1.00 0.00 C ATOM 1439 O CYS A 103 3.609 -7.960 -8.682 1.00 0.00 O ATOM 1440 CB CYS A 103 3.289 -8.254 -5.147 1.00 0.00 C ATOM 1441 SG CYS A 103 3.846 -7.602 -3.531 1.00 0.00 S ATOM 0 H CYS A 103 3.374 -5.897 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 103 5.167 -8.041 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.258 -7.942 -5.313 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.289 -9.343 -5.103 1.00 0.00 H new ATOM 0 HG CYS A 103 2.950 -7.862 -2.626 1.00 0.00 H new ATOM 1446 N THR A 104 3.605 -9.873 -7.475 1.00 0.00 N ATOM 1447 CA THR A 104 3.244 -10.715 -8.603 1.00 0.00 C ATOM 1448 C THR A 104 1.822 -11.253 -8.435 1.00 0.00 C ATOM 1449 O THR A 104 1.290 -11.901 -9.335 1.00 0.00 O ATOM 1450 CB THR A 104 4.300 -11.815 -8.727 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.190 -12.541 -7.506 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.727 -11.265 -8.705 1.00 0.00 C ATOM 0 H THR A 104 3.727 -10.371 -6.593 1.00 0.00 H new ATOM 0 HA THR A 104 3.234 -10.147 -9.533 1.00 0.00 H new ATOM 0 HB THR A 104 4.139 -12.368 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.568 -12.079 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.436 -12.088 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.864 -10.575 -9.537 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.900 -10.740 -7.766 1.00 0.00 H new TER 1460 THR A 104