USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 33 HIS : no HE2:sc= 0.986 K(o=1.2,f=-6.9!) USER MOD Set 1.2: A 98 SER OG : rot -55:sc= 0.225 USER MOD Set 2.1: A 23 CYS SG : rot -167:sc= 0.783 USER MOD Set 2.2: A 25 HIS : no HD1:sc= -1.34 K(o=1.6,f=0.92) USER MOD Set 2.3: A 64 ASN : amide:sc= 0.508! C(o=1.6!,f=-11!) USER MOD Set 2.4: A 70 CYS SG : rot 24:sc= 1.64 USER MOD Set 2.5: A 87 SER OG : rot -172:sc= 0.0142 USER MOD Set 3.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 77 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Set 4.1: A 24 ASN : amide:sc= -8.23! C(o=-10!,f=-8.7!) USER MOD Set 4.2: A 26 HIS : no HD1:sc= -0.446 K(o=-10,f=-13) USER MOD Set 4.3: A 36 THR OG1 : rot -51:sc= -1.69! USER MOD Set 4.4: A 88 THR OG1 : rot -70:sc= 0.828 USER MOD Set 4.5: A 95 THR OG1 : rot 110:sc= -0.705 USER MOD Single : A 19 SER OG : rot -34:sc= 0.196 USER MOD Single : A 22 GLN : amide:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00917 K(o=-0.0092,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0.42 (180deg=0.405) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.02) USER MOD Single : A 54 GLN : amide:sc= -0.258 K(o=-0.26,f=-0.81) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00262 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 92 SER OG : rot 160:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.108 -0.023 -2.595 1.00 0.00 N ATOM 2 CA SER A 19 19.582 0.973 -3.545 1.00 0.00 C ATOM 3 C SER A 19 18.139 1.323 -3.216 1.00 0.00 C ATOM 4 O SER A 19 17.590 0.852 -2.217 1.00 0.00 O ATOM 5 CB SER A 19 19.673 0.427 -4.972 1.00 0.00 C ATOM 6 OG SER A 19 19.122 -0.881 -5.061 1.00 0.00 O ATOM 0 HA SER A 19 20.183 1.879 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.144 1.094 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.715 0.407 -5.290 1.00 0.00 H new ATOM 0 HG SER A 19 19.288 -1.364 -4.224 1.00 0.00 H new ATOM 14 N PHE A 20 17.549 2.175 -4.043 1.00 0.00 N ATOM 15 CA PHE A 20 16.128 2.474 -3.971 1.00 0.00 C ATOM 16 C PHE A 20 15.335 1.217 -4.291 1.00 0.00 C ATOM 17 O PHE A 20 15.366 0.716 -5.415 1.00 0.00 O ATOM 18 CB PHE A 20 15.744 3.589 -4.955 1.00 0.00 C ATOM 19 CG PHE A 20 16.437 4.903 -4.733 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.815 5.023 -4.821 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.693 6.023 -4.441 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.432 6.241 -4.616 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.299 7.247 -4.236 1.00 0.00 C ATOM 24 CZ PHE A 20 17.673 7.355 -4.323 1.00 0.00 C ATOM 0 H PHE A 20 18.042 2.677 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 20 15.898 2.817 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.960 3.249 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.667 3.749 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.413 4.154 -5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.618 5.944 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.507 6.321 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.700 8.117 -4.008 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.152 8.309 -4.162 1.00 0.00 H new ATOM 34 N VAL A 21 14.626 0.726 -3.303 1.00 0.00 N ATOM 35 CA VAL A 21 13.940 -0.548 -3.405 1.00 0.00 C ATOM 36 C VAL A 21 12.450 -0.356 -3.675 1.00 0.00 C ATOM 37 O VAL A 21 11.818 0.555 -3.135 1.00 0.00 O ATOM 38 CB VAL A 21 14.167 -1.361 -2.112 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.969 -0.466 -0.907 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.249 -2.571 -2.039 1.00 0.00 C ATOM 0 H VAL A 21 14.506 1.195 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 21 14.352 -1.100 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 21 15.191 -1.735 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.130 -1.042 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.681 0.359 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.954 -0.069 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.439 -3.117 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.210 -2.241 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.438 -3.223 -2.891 1.00 0.00 H new ATOM 50 N GLN A 22 11.900 -1.197 -4.542 1.00 0.00 N ATOM 51 CA GLN A 22 10.473 -1.175 -4.822 1.00 0.00 C ATOM 52 C GLN A 22 9.771 -2.218 -3.970 1.00 0.00 C ATOM 53 O GLN A 22 10.327 -3.282 -3.707 1.00 0.00 O ATOM 54 CB GLN A 22 10.203 -1.439 -6.305 1.00 0.00 C ATOM 55 CG GLN A 22 10.688 -2.791 -6.798 1.00 0.00 C ATOM 56 CD GLN A 22 10.321 -3.038 -8.243 1.00 0.00 C ATOM 57 OE1 GLN A 22 11.078 -2.711 -9.155 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.155 -3.617 -8.461 1.00 0.00 N ATOM 0 H GLN A 22 12.422 -1.902 -5.062 1.00 0.00 H new ATOM 0 HA GLN A 22 10.086 -0.186 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.131 -1.363 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.682 -0.657 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.771 -2.850 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.259 -3.577 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.557 -3.872 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.852 -3.809 -9.416 1.00 0.00 H new ATOM 67 N CYS A 23 8.558 -1.920 -3.530 1.00 0.00 N ATOM 68 CA CYS A 23 7.829 -2.841 -2.679 1.00 0.00 C ATOM 69 C CYS A 23 6.323 -2.719 -2.873 1.00 0.00 C ATOM 70 O CYS A 23 5.792 -1.630 -3.081 1.00 0.00 O ATOM 71 CB CYS A 23 8.198 -2.594 -1.217 1.00 0.00 C ATOM 72 SG CYS A 23 8.039 -0.873 -0.691 1.00 0.00 S ATOM 0 H CYS A 23 8.063 -1.055 -3.747 1.00 0.00 H new ATOM 0 HA CYS A 23 8.112 -3.855 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.564 -3.215 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.226 -2.918 -1.054 1.00 0.00 H new ATOM 0 HG CYS A 23 8.632 -0.713 0.455 1.00 0.00 H new ATOM 78 N ASN A 24 5.638 -3.850 -2.825 1.00 0.00 N ATOM 79 CA ASN A 24 4.185 -3.860 -2.899 1.00 0.00 C ATOM 80 C ASN A 24 3.594 -3.357 -1.592 1.00 0.00 C ATOM 81 O ASN A 24 3.695 -4.010 -0.556 1.00 0.00 O ATOM 82 CB ASN A 24 3.650 -5.263 -3.227 1.00 0.00 C ATOM 83 CG ASN A 24 4.486 -6.370 -2.615 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.268 -6.786 -1.476 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.446 -6.869 -3.381 1.00 0.00 N ATOM 0 H ASN A 24 6.064 -4.773 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 24 3.882 -3.194 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.624 -5.348 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.621 -5.392 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.036 -7.625 -3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.595 -6.497 -4.319 1.00 0.00 H new ATOM 92 N HIS A 25 2.996 -2.176 -1.645 1.00 0.00 N ATOM 93 CA HIS A 25 2.393 -1.573 -0.467 1.00 0.00 C ATOM 94 C HIS A 25 1.075 -2.275 -0.176 1.00 0.00 C ATOM 95 O HIS A 25 0.158 -2.243 -0.997 1.00 0.00 O ATOM 96 CB HIS A 25 2.142 -0.072 -0.677 1.00 0.00 C ATOM 97 CG HIS A 25 3.355 0.745 -1.033 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.587 0.203 -1.315 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.503 2.087 -1.173 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.437 1.168 -1.613 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.807 2.325 -1.538 1.00 0.00 N ATOM 0 H HIS A 25 2.916 -1.616 -2.493 1.00 0.00 H new ATOM 0 HA HIS A 25 3.078 -1.685 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.401 0.047 -1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.705 0.336 0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.736 2.832 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.476 1.033 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.218 3.241 -1.720 1.00 0.00 H new ATOM 110 N HIS A 26 0.991 -2.938 0.965 1.00 0.00 N ATOM 111 CA HIS A 26 -0.206 -3.691 1.323 1.00 0.00 C ATOM 112 C HIS A 26 -1.225 -2.803 2.013 1.00 0.00 C ATOM 113 O HIS A 26 -0.897 -2.075 2.949 1.00 0.00 O ATOM 114 CB HIS A 26 0.130 -4.875 2.240 1.00 0.00 C ATOM 115 CG HIS A 26 0.785 -6.031 1.545 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.392 -7.338 1.727 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.818 -6.072 0.671 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.151 -8.128 0.995 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.026 -7.386 0.344 1.00 0.00 N ATOM 0 H HIS A 26 1.736 -2.972 1.661 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.630 -4.071 0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.787 -4.526 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.788 -5.224 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.376 -5.225 0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.070 -9.203 0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.740 -7.733 -0.297 1.00 0.00 H new ATOM 128 N LEU A 27 -2.458 -2.879 1.548 1.00 0.00 N ATOM 129 CA LEU A 27 -3.565 -2.215 2.205 1.00 0.00 C ATOM 130 C LEU A 27 -4.278 -3.248 3.060 1.00 0.00 C ATOM 131 O LEU A 27 -4.667 -4.314 2.567 1.00 0.00 O ATOM 132 CB LEU A 27 -4.525 -1.605 1.171 1.00 0.00 C ATOM 133 CG LEU A 27 -5.432 -0.466 1.669 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.426 -0.953 2.709 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.597 0.669 2.238 1.00 0.00 C ATOM 0 H LEU A 27 -2.718 -3.399 0.710 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.201 -1.397 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.934 -1.231 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.159 -2.402 0.782 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.997 -0.100 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.048 -0.120 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.057 -1.728 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.887 -1.361 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.255 1.466 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.002 0.300 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.935 1.057 1.464 1.00 0.00 H new ATOM 147 N LEU A 28 -4.423 -2.940 4.332 1.00 0.00 N ATOM 148 CA LEU A 28 -4.934 -3.890 5.293 1.00 0.00 C ATOM 149 C LEU A 28 -6.379 -3.581 5.659 1.00 0.00 C ATOM 150 O LEU A 28 -6.714 -2.465 6.067 1.00 0.00 O ATOM 151 CB LEU A 28 -4.057 -3.881 6.546 1.00 0.00 C ATOM 152 CG LEU A 28 -3.478 -5.235 6.947 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.585 -6.230 7.254 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.571 -5.764 5.853 1.00 0.00 C ATOM 0 H LEU A 28 -4.191 -2.028 4.726 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.909 -4.882 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.233 -3.185 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.645 -3.495 7.378 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.888 -5.100 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.146 -7.187 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.195 -5.854 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.209 -6.364 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.165 -6.730 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.142 -5.880 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.753 -5.063 5.687 1.00 0.00 H new ATOM 166 N TYR A 29 -7.224 -4.580 5.502 1.00 0.00 N ATOM 167 CA TYR A 29 -8.603 -4.498 5.928 1.00 0.00 C ATOM 168 C TYR A 29 -8.705 -5.184 7.277 1.00 0.00 C ATOM 169 O TYR A 29 -7.911 -6.076 7.568 1.00 0.00 O ATOM 170 CB TYR A 29 -9.508 -5.180 4.895 1.00 0.00 C ATOM 171 CG TYR A 29 -10.968 -5.245 5.292 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.751 -4.098 5.336 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.561 -6.458 5.623 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.082 -4.157 5.703 1.00 0.00 C ATOM 175 CE2 TYR A 29 -12.891 -6.525 5.990 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.648 -5.372 6.027 1.00 0.00 C ATOM 177 OH TYR A 29 -14.973 -5.436 6.396 1.00 0.00 O ATOM 0 H TYR A 29 -6.972 -5.471 5.075 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.926 -3.460 6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.424 -4.647 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.145 -6.193 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.312 -3.145 5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.972 -7.363 5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.676 -3.256 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.336 -7.475 6.247 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.214 -6.366 6.591 1.00 0.00 H new ATOM 187 N ASN A 30 -9.643 -4.748 8.105 1.00 0.00 N ATOM 188 CA ASN A 30 -9.810 -5.322 9.434 1.00 0.00 C ATOM 189 C ASN A 30 -9.958 -6.835 9.351 1.00 0.00 C ATOM 190 O ASN A 30 -11.026 -7.346 9.024 1.00 0.00 O ATOM 191 CB ASN A 30 -11.031 -4.722 10.133 1.00 0.00 C ATOM 192 CG ASN A 30 -10.923 -3.223 10.318 1.00 0.00 C ATOM 193 OD1 ASN A 30 -11.395 -2.448 9.487 1.00 0.00 O ATOM 194 ND2 ASN A 30 -10.298 -2.804 11.408 1.00 0.00 N ATOM 0 H ASN A 30 -10.299 -4.000 7.882 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.919 -5.085 10.015 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.925 -4.948 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.156 -5.196 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.193 -1.805 11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.921 -3.481 12.072 1.00 0.00 H new ATOM 201 N GLY A 31 -8.870 -7.539 9.628 1.00 0.00 N ATOM 202 CA GLY A 31 -8.879 -8.980 9.559 1.00 0.00 C ATOM 203 C GLY A 31 -7.844 -9.527 8.589 1.00 0.00 C ATOM 204 O GLY A 31 -6.954 -10.281 8.992 1.00 0.00 O ATOM 0 H GLY A 31 -7.976 -7.131 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.692 -9.388 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.870 -9.319 9.256 1.00 0.00 H new ATOM 208 N ARG A 32 -7.933 -9.133 7.315 1.00 0.00 N ATOM 209 CA ARG A 32 -7.109 -9.745 6.266 1.00 0.00 C ATOM 210 C ARG A 32 -6.643 -8.726 5.225 1.00 0.00 C ATOM 211 O ARG A 32 -7.083 -7.576 5.212 1.00 0.00 O ATOM 212 CB ARG A 32 -7.891 -10.855 5.546 1.00 0.00 C ATOM 213 CG ARG A 32 -8.251 -12.045 6.420 1.00 0.00 C ATOM 214 CD ARG A 32 -7.013 -12.769 6.919 1.00 0.00 C ATOM 215 NE ARG A 32 -7.352 -13.944 7.719 1.00 0.00 N ATOM 216 CZ ARG A 32 -6.512 -14.531 8.570 1.00 0.00 C ATOM 217 NH1 ARG A 32 -5.303 -14.020 8.774 1.00 0.00 N ATOM 218 NH2 ARG A 32 -6.889 -15.619 9.233 1.00 0.00 N ATOM 0 H ARG A 32 -8.561 -8.400 6.986 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.232 -10.159 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.808 -10.429 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.300 -11.208 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.842 -11.706 7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.874 -12.737 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.403 -13.073 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.409 -12.086 7.516 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.288 -14.338 7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.016 -13.176 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.662 -14.472 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.822 -16.005 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.245 -16.068 9.884 1.00 0.00 H new ATOM 232 N HIS A 33 -5.741 -9.182 4.362 1.00 0.00 N ATOM 233 CA HIS A 33 -5.288 -8.440 3.196 1.00 0.00 C ATOM 234 C HIS A 33 -6.461 -7.935 2.350 1.00 0.00 C ATOM 235 O HIS A 33 -7.409 -8.673 2.081 1.00 0.00 O ATOM 236 CB HIS A 33 -4.388 -9.383 2.380 1.00 0.00 C ATOM 237 CG HIS A 33 -4.415 -9.180 0.888 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.217 -9.928 0.054 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.736 -8.328 0.086 1.00 0.00 C ATOM 240 CE1 HIS A 33 -5.033 -9.546 -1.194 1.00 0.00 C ATOM 241 NE2 HIS A 33 -4.137 -8.575 -1.208 1.00 0.00 N ATOM 0 H HIS A 33 -5.297 -10.095 4.457 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.738 -7.553 3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.361 -9.265 2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.681 -10.411 2.594 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.855 -10.664 0.356 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.013 -7.591 0.402 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.531 -9.957 -2.060 1.00 0.00 H new ATOM 250 N TRP A 34 -6.389 -6.673 1.942 1.00 0.00 N ATOM 251 CA TRP A 34 -7.373 -6.119 1.023 1.00 0.00 C ATOM 252 C TRP A 34 -6.793 -6.065 -0.389 1.00 0.00 C ATOM 253 O TRP A 34 -7.359 -6.631 -1.320 1.00 0.00 O ATOM 254 CB TRP A 34 -7.808 -4.719 1.471 1.00 0.00 C ATOM 255 CG TRP A 34 -9.030 -4.217 0.756 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.327 -4.350 1.166 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.075 -3.513 -0.494 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.173 -3.770 0.252 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.430 -3.251 -0.777 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.101 -3.077 -1.400 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.833 -2.577 -1.927 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -8.504 -2.410 -2.541 1.00 0.00 C ATOM 263 CH2 TRP A 34 -9.860 -2.165 -2.795 1.00 0.00 C ATOM 0 H TRP A 34 -5.663 -6.018 2.232 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.251 -6.765 1.024 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.004 -4.733 2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.987 -4.021 1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.641 -4.840 2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.190 -3.732 0.327 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.053 -3.259 -1.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.877 -2.386 -2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -7.762 -2.072 -3.249 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.143 -1.640 -3.695 1.00 0.00 H new ATOM 274 N GLY A 35 -5.651 -5.400 -0.533 1.00 0.00 N ATOM 275 CA GLY A 35 -5.009 -5.280 -1.831 1.00 0.00 C ATOM 276 C GLY A 35 -3.590 -4.767 -1.705 1.00 0.00 C ATOM 277 O GLY A 35 -3.148 -4.447 -0.601 1.00 0.00 O ATOM 0 H GLY A 35 -5.156 -4.939 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.003 -6.251 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.586 -4.604 -2.462 1.00 0.00 H new ATOM 281 N THR A 36 -2.864 -4.708 -2.814 1.00 0.00 N ATOM 282 CA THR A 36 -1.500 -4.207 -2.796 1.00 0.00 C ATOM 283 C THR A 36 -1.092 -3.642 -4.164 1.00 0.00 C ATOM 284 O THR A 36 -1.541 -4.125 -5.207 1.00 0.00 O ATOM 285 CB THR A 36 -0.509 -5.311 -2.356 1.00 0.00 C ATOM 286 OG1 THR A 36 0.749 -4.726 -2.021 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.303 -6.355 -3.444 1.00 0.00 C ATOM 0 H THR A 36 -3.197 -5.000 -3.733 1.00 0.00 H new ATOM 0 HA THR A 36 -1.462 -3.396 -2.069 1.00 0.00 H new ATOM 0 HB THR A 36 -0.937 -5.809 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.044 -4.143 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.400 -7.111 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.257 -6.827 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.096 -5.875 -4.338 1.00 0.00 H new ATOM 295 N ILE A 37 -0.267 -2.596 -4.147 1.00 0.00 N ATOM 296 CA ILE A 37 0.306 -2.043 -5.367 1.00 0.00 C ATOM 297 C ILE A 37 1.825 -1.975 -5.212 1.00 0.00 C ATOM 298 O ILE A 37 2.326 -1.390 -4.245 1.00 0.00 O ATOM 299 CB ILE A 37 -0.226 -0.620 -5.712 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.750 -0.587 -5.889 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.434 -0.106 -6.984 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.528 -0.590 -4.593 1.00 0.00 C ATOM 0 H ILE A 37 0.019 -2.114 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 37 0.011 -2.702 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 37 0.026 0.022 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.019 0.303 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.054 -1.449 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.054 0.889 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.513 -0.058 -6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.208 -0.781 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.596 -0.566 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.293 -1.493 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.257 0.286 -4.004 1.00 0.00 H new ATOM 314 N ARG A 38 2.557 -2.575 -6.140 1.00 0.00 N ATOM 315 CA ARG A 38 4.009 -2.636 -6.035 1.00 0.00 C ATOM 316 C ARG A 38 4.662 -1.417 -6.678 1.00 0.00 C ATOM 317 O ARG A 38 4.840 -1.358 -7.895 1.00 0.00 O ATOM 318 CB ARG A 38 4.540 -3.929 -6.662 1.00 0.00 C ATOM 319 CG ARG A 38 6.037 -4.122 -6.483 1.00 0.00 C ATOM 320 CD ARG A 38 6.462 -5.559 -6.769 1.00 0.00 C ATOM 321 NE ARG A 38 6.243 -5.948 -8.165 1.00 0.00 N ATOM 322 CZ ARG A 38 6.646 -7.109 -8.696 1.00 0.00 C ATOM 323 NH1 ARG A 38 7.176 -8.058 -7.927 1.00 0.00 N ATOM 324 NH2 ARG A 38 6.483 -7.334 -9.998 1.00 0.00 N ATOM 0 H ARG A 38 2.172 -3.025 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 38 4.269 -2.633 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.017 -4.778 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.307 -3.929 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.573 -3.445 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.318 -3.856 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.518 -5.676 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.907 -6.234 -6.117 1.00 0.00 H new ATOM 0 HE ARG A 38 5.752 -5.291 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.278 -7.904 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.480 -8.939 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.052 -6.623 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.789 -8.218 -10.405 1.00 0.00 H new ATOM 338 N LYS A 39 5.006 -0.449 -5.840 1.00 0.00 N ATOM 339 CA LYS A 39 5.688 0.763 -6.274 1.00 0.00 C ATOM 340 C LYS A 39 6.958 0.955 -5.457 1.00 0.00 C ATOM 341 O LYS A 39 7.051 0.469 -4.329 1.00 0.00 O ATOM 342 CB LYS A 39 4.782 1.993 -6.121 1.00 0.00 C ATOM 343 CG LYS A 39 3.556 1.978 -7.020 1.00 0.00 C ATOM 344 CD LYS A 39 3.940 1.804 -8.480 1.00 0.00 C ATOM 345 CE LYS A 39 2.720 1.815 -9.386 1.00 0.00 C ATOM 346 NZ LYS A 39 2.180 3.183 -9.591 1.00 0.00 N ATOM 0 H LYS A 39 4.820 -0.482 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 39 5.941 0.655 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.457 2.064 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.365 2.889 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.892 1.168 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.001 2.908 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.620 2.603 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.478 0.865 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.984 1.383 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.945 1.182 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.349 3.138 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.903 3.588 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.909 3.782 -10.027 1.00 0.00 H new ATOM 360 N LYS A 40 7.936 1.643 -6.028 1.00 0.00 N ATOM 361 CA LYS A 40 9.205 1.865 -5.346 1.00 0.00 C ATOM 362 C LYS A 40 9.031 2.751 -4.117 1.00 0.00 C ATOM 363 O LYS A 40 8.022 3.444 -3.966 1.00 0.00 O ATOM 364 CB LYS A 40 10.232 2.495 -6.290 1.00 0.00 C ATOM 365 CG LYS A 40 10.471 1.697 -7.560 1.00 0.00 C ATOM 366 CD LYS A 40 11.810 2.039 -8.187 1.00 0.00 C ATOM 367 CE LYS A 40 12.955 1.695 -7.247 1.00 0.00 C ATOM 368 NZ LYS A 40 14.284 1.914 -7.877 1.00 0.00 N ATOM 0 H LYS A 40 7.877 2.056 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 40 9.569 0.890 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.897 3.497 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.178 2.607 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.435 0.631 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.672 1.898 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.927 1.494 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.841 3.101 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.878 2.303 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.869 0.653 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.032 1.587 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.338 1.381 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.413 2.927 -8.072 1.00 0.00 H new ATOM 382 N ALA A 41 10.020 2.710 -3.235 1.00 0.00 N ATOM 383 CA ALA A 41 10.029 3.538 -2.041 1.00 0.00 C ATOM 384 C ALA A 41 9.995 5.014 -2.408 1.00 0.00 C ATOM 385 O ALA A 41 10.590 5.435 -3.403 1.00 0.00 O ATOM 386 CB ALA A 41 11.253 3.224 -1.197 1.00 0.00 C ATOM 0 H ALA A 41 10.835 2.104 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 41 9.136 3.315 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.250 3.850 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.233 2.174 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.155 3.422 -1.776 1.00 0.00 H new ATOM 392 N GLY A 42 9.276 5.790 -1.612 1.00 0.00 N ATOM 393 CA GLY A 42 9.134 7.206 -1.883 1.00 0.00 C ATOM 394 C GLY A 42 7.944 7.509 -2.767 1.00 0.00 C ATOM 395 O GLY A 42 7.369 8.595 -2.694 1.00 0.00 O ATOM 0 H GLY A 42 8.786 5.463 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.030 7.744 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.041 7.574 -2.362 1.00 0.00 H new ATOM 399 N TRP A 43 7.574 6.552 -3.608 1.00 0.00 N ATOM 400 CA TRP A 43 6.444 6.717 -4.507 1.00 0.00 C ATOM 401 C TRP A 43 5.135 6.577 -3.750 1.00 0.00 C ATOM 402 O TRP A 43 4.832 5.515 -3.198 1.00 0.00 O ATOM 403 CB TRP A 43 6.515 5.701 -5.649 1.00 0.00 C ATOM 404 CG TRP A 43 7.671 5.930 -6.576 1.00 0.00 C ATOM 405 CD1 TRP A 43 8.993 5.696 -6.318 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.610 6.434 -7.915 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.754 6.025 -7.414 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.928 6.480 -8.407 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.565 6.848 -8.745 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.227 6.930 -9.690 1.00 0.00 C ATOM 411 CZ3 TRP A 43 6.863 7.292 -10.017 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.185 7.328 -10.479 1.00 0.00 C ATOM 0 H TRP A 43 8.044 5.650 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 43 6.488 7.719 -4.934 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.588 4.698 -5.229 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.587 5.741 -6.220 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.383 5.309 -5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.769 5.944 -7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.543 6.821 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.245 6.963 -10.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.064 7.617 -10.667 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.385 7.678 -11.481 1.00 0.00 H new ATOM 423 N ALA A 44 4.380 7.666 -3.700 1.00 0.00 N ATOM 424 CA ALA A 44 3.096 7.670 -3.035 1.00 0.00 C ATOM 425 C ALA A 44 2.056 6.992 -3.908 1.00 0.00 C ATOM 426 O ALA A 44 1.737 7.465 -4.996 1.00 0.00 O ATOM 427 CB ALA A 44 2.679 9.088 -2.691 1.00 0.00 C ATOM 0 H ALA A 44 4.642 8.560 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 44 3.179 7.111 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.710 9.071 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.421 9.535 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.606 9.677 -3.605 1.00 0.00 H new ATOM 433 N VAL A 45 1.540 5.879 -3.430 1.00 0.00 N ATOM 434 CA VAL A 45 0.626 5.072 -4.212 1.00 0.00 C ATOM 435 C VAL A 45 -0.803 5.273 -3.729 1.00 0.00 C ATOM 436 O VAL A 45 -1.037 5.637 -2.575 1.00 0.00 O ATOM 437 CB VAL A 45 1.006 3.578 -4.143 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.728 3.006 -2.766 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.284 2.785 -5.221 1.00 0.00 C ATOM 0 H VAL A 45 1.739 5.511 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 45 0.697 5.393 -5.251 1.00 0.00 H new ATOM 0 HB VAL A 45 2.077 3.496 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.005 1.952 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.312 3.548 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.333 3.106 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.568 1.735 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.793 2.879 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.559 3.171 -6.202 1.00 0.00 H new ATOM 449 N ARG A 46 -1.750 5.047 -4.621 1.00 0.00 N ATOM 450 CA ARG A 46 -3.150 5.261 -4.310 1.00 0.00 C ATOM 451 C ARG A 46 -3.819 3.971 -3.844 1.00 0.00 C ATOM 452 O ARG A 46 -3.627 2.900 -4.428 1.00 0.00 O ATOM 453 CB ARG A 46 -3.893 5.846 -5.524 1.00 0.00 C ATOM 454 CG ARG A 46 -4.306 4.833 -6.593 1.00 0.00 C ATOM 455 CD ARG A 46 -3.120 4.096 -7.212 1.00 0.00 C ATOM 456 NE ARG A 46 -3.438 3.580 -8.539 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.574 2.288 -8.832 1.00 0.00 C ATOM 458 NH1 ARG A 46 -3.465 1.366 -7.879 1.00 0.00 N ATOM 459 NH2 ARG A 46 -3.842 1.923 -10.077 1.00 0.00 N ATOM 0 H ARG A 46 -1.574 4.714 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.202 5.979 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.787 6.358 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.257 6.600 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.987 4.106 -6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.856 5.349 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.267 4.771 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.824 3.272 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.565 4.255 -9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.276 1.647 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.570 0.378 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.943 2.630 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.947 0.935 -10.307 1.00 0.00 H new ATOM 473 N PHE A 47 -4.575 4.082 -2.772 1.00 0.00 N ATOM 474 CA PHE A 47 -5.426 3.005 -2.303 1.00 0.00 C ATOM 475 C PHE A 47 -6.860 3.493 -2.295 1.00 0.00 C ATOM 476 O PHE A 47 -7.157 4.556 -1.746 1.00 0.00 O ATOM 477 CB PHE A 47 -5.027 2.544 -0.899 1.00 0.00 C ATOM 478 CG PHE A 47 -3.657 1.943 -0.814 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.417 0.663 -1.283 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.613 2.653 -0.247 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.160 0.102 -1.191 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.354 2.095 -0.150 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.128 0.819 -0.623 1.00 0.00 C ATOM 0 H PHE A 47 -4.618 4.924 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.315 2.152 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.080 3.396 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.755 1.812 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.223 0.097 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.785 3.653 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.985 -0.897 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.547 2.657 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.143 0.382 -0.549 1.00 0.00 H new ATOM 493 N TYR A 48 -7.741 2.736 -2.912 1.00 0.00 N ATOM 494 CA TYR A 48 -9.125 3.144 -3.035 1.00 0.00 C ATOM 495 C TYR A 48 -10.041 1.939 -2.924 1.00 0.00 C ATOM 496 O TYR A 48 -9.649 0.820 -3.249 1.00 0.00 O ATOM 497 CB TYR A 48 -9.352 3.867 -4.371 1.00 0.00 C ATOM 498 CG TYR A 48 -8.895 3.082 -5.581 1.00 0.00 C ATOM 499 CD1 TYR A 48 -9.719 2.135 -6.174 1.00 0.00 C ATOM 500 CD2 TYR A 48 -7.635 3.286 -6.128 1.00 0.00 C ATOM 501 CE1 TYR A 48 -9.301 1.416 -7.274 1.00 0.00 C ATOM 502 CE2 TYR A 48 -7.209 2.570 -7.229 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.047 1.635 -7.797 1.00 0.00 C ATOM 504 OH TYR A 48 -7.627 0.916 -8.893 1.00 0.00 O ATOM 0 H TYR A 48 -7.524 1.834 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.358 3.834 -2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.414 4.091 -4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.826 4.821 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.704 1.958 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.976 4.018 -5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.955 0.684 -7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.226 2.741 -7.642 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.719 1.192 -9.137 1.00 0.00 H new ATOM 514 N GLU A 49 -11.250 2.180 -2.455 1.00 0.00 N ATOM 515 CA GLU A 49 -12.243 1.135 -2.314 1.00 0.00 C ATOM 516 C GLU A 49 -13.141 1.091 -3.538 1.00 0.00 C ATOM 517 O GLU A 49 -13.543 2.129 -4.064 1.00 0.00 O ATOM 518 CB GLU A 49 -13.107 1.375 -1.072 1.00 0.00 C ATOM 519 CG GLU A 49 -13.847 2.706 -1.104 1.00 0.00 C ATOM 520 CD GLU A 49 -14.965 2.786 -0.089 1.00 0.00 C ATOM 521 OE1 GLU A 49 -16.070 2.289 -0.389 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.754 3.346 1.005 1.00 0.00 O ATOM 0 H GLU A 49 -11.570 3.103 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.718 0.186 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.832 0.566 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.475 1.339 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.138 3.514 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.258 2.863 -2.101 1.00 0.00 H new ATOM 529 N GLU A 50 -13.434 -0.108 -4.002 1.00 0.00 N ATOM 530 CA GLU A 50 -14.468 -0.294 -4.995 1.00 0.00 C ATOM 531 C GLU A 50 -15.451 -1.339 -4.492 1.00 0.00 C ATOM 532 O GLU A 50 -15.186 -2.539 -4.552 1.00 0.00 O ATOM 533 CB GLU A 50 -13.879 -0.716 -6.349 1.00 0.00 C ATOM 534 CG GLU A 50 -12.989 0.343 -6.981 1.00 0.00 C ATOM 535 CD GLU A 50 -12.677 0.060 -8.437 1.00 0.00 C ATOM 536 OE1 GLU A 50 -13.583 0.217 -9.282 1.00 0.00 O ATOM 537 OE2 GLU A 50 -11.526 -0.299 -8.752 1.00 0.00 O ATOM 0 H GLU A 50 -12.969 -0.966 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.983 0.654 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.302 -1.631 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.694 -0.950 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.477 1.315 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.056 0.408 -6.421 1.00 0.00 H new ATOM 544 N LYS A 51 -16.576 -0.879 -3.975 1.00 0.00 N ATOM 545 CA LYS A 51 -17.609 -1.779 -3.489 1.00 0.00 C ATOM 546 C LYS A 51 -18.638 -1.979 -4.594 1.00 0.00 C ATOM 547 O LYS A 51 -18.776 -1.123 -5.464 1.00 0.00 O ATOM 548 CB LYS A 51 -18.290 -1.214 -2.233 1.00 0.00 C ATOM 549 CG LYS A 51 -17.342 -0.865 -1.090 1.00 0.00 C ATOM 550 CD LYS A 51 -18.051 -0.990 0.250 1.00 0.00 C ATOM 551 CE LYS A 51 -17.185 -0.534 1.414 1.00 0.00 C ATOM 552 NZ LYS A 51 -17.153 0.946 1.546 1.00 0.00 N ATOM 0 H LYS A 51 -16.799 0.112 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.154 -2.732 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.846 -0.319 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.017 -1.942 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.477 -1.527 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.969 0.151 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.966 -0.398 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.346 -2.028 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.563 -0.971 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.170 -0.907 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.380 1.221 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.998 1.375 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.058 1.280 1.934 1.00 0.00 H new ATOM 566 N PRO A 52 -19.353 -3.112 -4.598 1.00 0.00 N ATOM 567 CA PRO A 52 -20.373 -3.382 -5.613 1.00 0.00 C ATOM 568 C PRO A 52 -21.423 -2.277 -5.663 1.00 0.00 C ATOM 569 O PRO A 52 -22.138 -2.044 -4.686 1.00 0.00 O ATOM 570 CB PRO A 52 -21.003 -4.702 -5.156 1.00 0.00 C ATOM 571 CG PRO A 52 -19.974 -5.340 -4.289 1.00 0.00 C ATOM 572 CD PRO A 52 -19.227 -4.215 -3.631 1.00 0.00 C ATOM 0 HA PRO A 52 -19.951 -3.432 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.929 -4.528 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -21.251 -5.337 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.438 -5.987 -3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.301 -5.963 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.661 -3.955 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.184 -4.476 -3.452 1.00 0.00 H new ATOM 580 N GLY A 53 -21.495 -1.588 -6.794 1.00 0.00 N ATOM 581 CA GLY A 53 -22.461 -0.522 -6.959 1.00 0.00 C ATOM 582 C GLY A 53 -21.944 0.823 -6.478 1.00 0.00 C ATOM 583 O GLY A 53 -22.549 1.863 -6.751 1.00 0.00 O ATOM 0 H GLY A 53 -20.897 -1.751 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.734 -0.445 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.369 -0.773 -6.411 1.00 0.00 H new ATOM 587 N GLN A 54 -20.821 0.810 -5.774 1.00 0.00 N ATOM 588 CA GLN A 54 -20.260 2.027 -5.197 1.00 0.00 C ATOM 589 C GLN A 54 -18.977 2.418 -5.921 1.00 0.00 C ATOM 590 O GLN A 54 -18.064 1.602 -6.050 1.00 0.00 O ATOM 591 CB GLN A 54 -19.973 1.821 -3.710 1.00 0.00 C ATOM 592 CG GLN A 54 -21.184 1.360 -2.916 1.00 0.00 C ATOM 593 CD GLN A 54 -20.872 1.137 -1.451 1.00 0.00 C ATOM 594 OE1 GLN A 54 -20.014 1.807 -0.877 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.555 0.182 -0.841 1.00 0.00 N ATOM 0 H GLN A 54 -20.277 -0.033 -5.587 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.987 2.830 -5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.176 1.086 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.605 2.756 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.976 2.103 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.565 0.434 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.258 -0.350 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.379 -0.022 0.143 1.00 0.00 H new ATOM 604 N PRO A 55 -18.899 3.667 -6.410 1.00 0.00 N ATOM 605 CA PRO A 55 -17.736 4.164 -7.151 1.00 0.00 C ATOM 606 C PRO A 55 -16.467 4.186 -6.310 1.00 0.00 C ATOM 607 O PRO A 55 -16.518 4.291 -5.080 1.00 0.00 O ATOM 608 CB PRO A 55 -18.125 5.594 -7.538 1.00 0.00 C ATOM 609 CG PRO A 55 -19.609 5.639 -7.407 1.00 0.00 C ATOM 610 CD PRO A 55 -19.941 4.697 -6.285 1.00 0.00 C ATOM 0 HA PRO A 55 -17.510 3.521 -8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -17.649 6.324 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.811 5.827 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -19.953 6.649 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -20.094 5.332 -8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -19.906 5.194 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.941 4.277 -6.391 1.00 0.00 H new ATOM 618 N LYS A 56 -15.338 4.112 -6.998 1.00 0.00 N ATOM 619 CA LYS A 56 -14.033 4.055 -6.353 1.00 0.00 C ATOM 620 C LYS A 56 -13.766 5.315 -5.538 1.00 0.00 C ATOM 621 O LYS A 56 -13.879 6.437 -6.039 1.00 0.00 O ATOM 622 CB LYS A 56 -12.905 3.829 -7.380 1.00 0.00 C ATOM 623 CG LYS A 56 -12.704 4.957 -8.392 1.00 0.00 C ATOM 624 CD LYS A 56 -13.581 4.816 -9.631 1.00 0.00 C ATOM 625 CE LYS A 56 -13.388 3.471 -10.318 1.00 0.00 C ATOM 626 NZ LYS A 56 -12.031 3.330 -10.911 1.00 0.00 N ATOM 0 H LYS A 56 -15.299 4.090 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.046 3.203 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.970 3.677 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.112 2.908 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.918 5.911 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.658 4.981 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.628 4.932 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.349 5.618 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.552 2.670 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.138 3.354 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.947 2.399 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.882 4.077 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.314 3.415 -10.162 1.00 0.00 H new ATOM 640 N ARG A 57 -13.422 5.118 -4.277 1.00 0.00 N ATOM 641 CA ARG A 57 -13.149 6.224 -3.374 1.00 0.00 C ATOM 642 C ARG A 57 -11.829 5.993 -2.662 1.00 0.00 C ATOM 643 O ARG A 57 -11.503 4.863 -2.309 1.00 0.00 O ATOM 644 CB ARG A 57 -14.276 6.358 -2.361 1.00 0.00 C ATOM 645 CG ARG A 57 -14.204 7.625 -1.525 1.00 0.00 C ATOM 646 CD ARG A 57 -15.397 7.722 -0.599 1.00 0.00 C ATOM 647 NE ARG A 57 -16.651 7.551 -1.333 1.00 0.00 N ATOM 648 CZ ARG A 57 -17.863 7.618 -0.789 1.00 0.00 C ATOM 649 NH1 ARG A 57 -18.011 7.864 0.506 1.00 0.00 N ATOM 650 NH2 ARG A 57 -18.929 7.426 -1.553 1.00 0.00 N ATOM 0 H ARG A 57 -13.324 4.196 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.083 7.147 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.230 6.336 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.259 5.494 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.283 7.630 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.172 8.497 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.321 6.961 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.395 8.690 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.592 7.367 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.190 8.004 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.945 7.913 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.815 7.229 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.863 7.475 -1.147 1.00 0.00 H new ATOM 664 N LEU A 58 -11.079 7.059 -2.448 1.00 0.00 N ATOM 665 CA LEU A 58 -9.757 6.949 -1.858 1.00 0.00 C ATOM 666 C LEU A 58 -9.840 6.565 -0.394 1.00 0.00 C ATOM 667 O LEU A 58 -10.581 7.173 0.379 1.00 0.00 O ATOM 668 CB LEU A 58 -8.982 8.254 -2.019 1.00 0.00 C ATOM 669 CG LEU A 58 -8.302 8.431 -3.378 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.530 9.739 -3.427 1.00 0.00 C ATOM 671 CD2 LEU A 58 -7.380 7.254 -3.660 1.00 0.00 C ATOM 0 H LEU A 58 -11.363 8.012 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.224 6.159 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.665 9.088 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.223 8.309 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.072 8.464 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.054 9.844 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.214 10.572 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.767 9.740 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.902 7.391 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.617 7.195 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.960 6.331 -3.669 1.00 0.00 H new ATOM 683 N VAL A 59 -9.075 5.550 -0.027 1.00 0.00 N ATOM 684 CA VAL A 59 -9.062 5.063 1.343 1.00 0.00 C ATOM 685 C VAL A 59 -7.716 5.331 1.986 1.00 0.00 C ATOM 686 O VAL A 59 -7.585 5.282 3.211 1.00 0.00 O ATOM 687 CB VAL A 59 -9.378 3.554 1.430 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.702 3.250 0.757 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.260 2.722 0.823 1.00 0.00 C ATOM 0 H VAL A 59 -8.454 5.046 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.844 5.602 1.878 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.456 3.285 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.909 2.182 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.498 3.808 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.652 3.541 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.511 1.664 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.135 2.991 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.331 2.914 1.360 1.00 0.00 H new ATOM 699 N ALA A 60 -6.712 5.587 1.147 1.00 0.00 N ATOM 700 CA ALA A 60 -5.392 5.953 1.616 1.00 0.00 C ATOM 701 C ALA A 60 -4.458 6.270 0.465 1.00 0.00 C ATOM 702 O ALA A 60 -4.452 5.597 -0.559 1.00 0.00 O ATOM 703 CB ALA A 60 -4.789 4.844 2.450 1.00 0.00 C ATOM 0 H ALA A 60 -6.798 5.545 0.132 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.511 6.847 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.798 5.143 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.426 4.650 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.708 3.939 1.848 1.00 0.00 H new ATOM 709 N ILE A 61 -3.682 7.307 0.639 1.00 0.00 N ATOM 710 CA ILE A 61 -2.548 7.556 -0.228 1.00 0.00 C ATOM 711 C ILE A 61 -1.305 7.278 0.588 1.00 0.00 C ATOM 712 O ILE A 61 -1.015 7.995 1.545 1.00 0.00 O ATOM 713 CB ILE A 61 -2.488 8.999 -0.786 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.719 9.320 -1.640 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.218 9.187 -1.603 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.935 9.714 -0.833 1.00 0.00 C ATOM 0 H ILE A 61 -3.811 8.000 1.376 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.635 6.909 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.479 9.688 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.472 10.130 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.965 8.450 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.183 10.205 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.349 9.011 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.212 8.481 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.765 9.926 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.209 8.897 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.709 10.603 -0.245 1.00 0.00 H new ATOM 728 N CYS A 62 -0.584 6.233 0.241 1.00 0.00 N ATOM 729 CA CYS A 62 0.468 5.753 1.112 1.00 0.00 C ATOM 730 C CYS A 62 1.758 5.505 0.350 1.00 0.00 C ATOM 731 O CYS A 62 1.747 5.104 -0.811 1.00 0.00 O ATOM 732 CB CYS A 62 0.016 4.475 1.824 1.00 0.00 C ATOM 733 SG CYS A 62 0.994 4.078 3.303 1.00 0.00 S ATOM 0 H CYS A 62 -0.704 5.706 -0.624 1.00 0.00 H new ATOM 0 HA CYS A 62 0.668 6.527 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.031 4.579 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.075 3.640 1.126 1.00 0.00 H new ATOM 738 N LYS A 63 2.865 5.749 1.018 1.00 0.00 N ATOM 739 CA LYS A 63 4.181 5.545 0.449 1.00 0.00 C ATOM 740 C LYS A 63 5.134 5.082 1.526 1.00 0.00 C ATOM 741 O LYS A 63 4.837 5.184 2.713 1.00 0.00 O ATOM 742 CB LYS A 63 4.716 6.820 -0.194 1.00 0.00 C ATOM 743 CG LYS A 63 4.709 8.030 0.718 1.00 0.00 C ATOM 744 CD LYS A 63 5.590 9.122 0.151 1.00 0.00 C ATOM 745 CE LYS A 63 5.169 10.494 0.646 1.00 0.00 C ATOM 746 NZ LYS A 63 6.032 11.571 0.094 1.00 0.00 N ATOM 0 H LYS A 63 2.878 6.097 1.977 1.00 0.00 H new ATOM 0 HA LYS A 63 4.098 4.784 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.736 6.641 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.121 7.044 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.690 8.400 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.061 7.748 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.627 8.936 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.545 9.098 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.132 10.679 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.212 10.516 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.712 12.492 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.018 11.409 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.971 11.567 -0.944 1.00 0.00 H new ATOM 760 N ASN A 64 6.265 4.561 1.108 1.00 0.00 N ATOM 761 CA ASN A 64 7.254 4.070 2.045 1.00 0.00 C ATOM 762 C ASN A 64 8.009 5.244 2.647 1.00 0.00 C ATOM 763 O ASN A 64 8.400 6.154 1.918 1.00 0.00 O ATOM 764 CB ASN A 64 8.216 3.106 1.353 1.00 0.00 C ATOM 765 CG ASN A 64 9.287 2.578 2.287 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.089 1.585 2.984 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.435 3.231 2.295 1.00 0.00 N ATOM 0 H ASN A 64 6.524 4.466 0.126 1.00 0.00 H new ATOM 0 HA ASN A 64 6.751 3.525 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.652 2.268 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.690 3.613 0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.197 2.915 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.559 4.051 1.701 1.00 0.00 H new ATOM 774 N ALA A 65 8.182 5.209 3.970 1.00 0.00 N ATOM 775 CA ALA A 65 8.795 6.301 4.735 1.00 0.00 C ATOM 776 C ALA A 65 9.981 6.931 4.014 1.00 0.00 C ATOM 777 O ALA A 65 10.006 8.140 3.774 1.00 0.00 O ATOM 778 CB ALA A 65 9.238 5.788 6.096 1.00 0.00 C ATOM 0 H ALA A 65 7.899 4.417 4.547 1.00 0.00 H new ATOM 0 HA ALA A 65 8.038 7.077 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.693 6.602 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.374 5.407 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.966 4.987 5.964 1.00 0.00 H new ATOM 784 N SER A 66 10.962 6.110 3.680 1.00 0.00 N ATOM 785 CA SER A 66 12.134 6.573 2.966 1.00 0.00 C ATOM 786 C SER A 66 11.912 6.417 1.468 1.00 0.00 C ATOM 787 O SER A 66 11.369 5.410 1.015 1.00 0.00 O ATOM 788 CB SER A 66 13.370 5.783 3.419 1.00 0.00 C ATOM 789 OG SER A 66 14.534 6.155 2.693 1.00 0.00 O ATOM 0 H SER A 66 10.967 5.113 3.895 1.00 0.00 H new ATOM 0 HA SER A 66 12.303 7.627 3.186 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.537 5.950 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.187 4.716 3.289 1.00 0.00 H new ATOM 0 HG SER A 66 15.299 5.632 3.011 1.00 0.00 H new ATOM 795 N PRO A 67 12.295 7.429 0.682 1.00 0.00 N ATOM 796 CA PRO A 67 12.218 7.366 -0.776 1.00 0.00 C ATOM 797 C PRO A 67 13.318 6.500 -1.379 1.00 0.00 C ATOM 798 O PRO A 67 13.383 6.324 -2.594 1.00 0.00 O ATOM 799 CB PRO A 67 12.394 8.822 -1.195 1.00 0.00 C ATOM 800 CG PRO A 67 13.212 9.429 -0.109 1.00 0.00 C ATOM 801 CD PRO A 67 12.803 8.729 1.156 1.00 0.00 C ATOM 0 HA PRO A 67 11.286 6.916 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.896 8.899 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.432 9.325 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.277 9.297 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.032 10.502 -0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.645 8.607 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.037 9.287 1.694 1.00 0.00 H new ATOM 809 N VAL A 68 14.183 5.968 -0.524 1.00 0.00 N ATOM 810 CA VAL A 68 15.286 5.132 -0.967 1.00 0.00 C ATOM 811 C VAL A 68 15.092 3.694 -0.507 1.00 0.00 C ATOM 812 O VAL A 68 14.771 2.814 -1.303 1.00 0.00 O ATOM 813 CB VAL A 68 16.637 5.642 -0.435 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.774 4.928 -1.143 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.754 7.149 -0.600 1.00 0.00 C ATOM 0 H VAL A 68 14.139 6.103 0.486 1.00 0.00 H new ATOM 0 HA VAL A 68 15.296 5.175 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 68 16.697 5.423 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.727 5.294 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.699 3.856 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.714 5.121 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.718 7.483 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.675 7.407 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.953 7.639 -0.046 1.00 0.00 H new ATOM 825 N HIS A 69 15.269 3.467 0.785 1.00 0.00 N ATOM 826 CA HIS A 69 15.175 2.122 1.337 1.00 0.00 C ATOM 827 C HIS A 69 13.792 1.912 1.936 1.00 0.00 C ATOM 828 O HIS A 69 13.078 2.878 2.194 1.00 0.00 O ATOM 829 CB HIS A 69 16.232 1.899 2.419 1.00 0.00 C ATOM 830 CG HIS A 69 17.634 2.161 1.971 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.382 3.222 2.433 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.430 1.490 1.109 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.577 3.191 1.872 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.632 2.149 1.063 1.00 0.00 N ATOM 0 H HIS A 69 15.478 4.193 1.470 1.00 0.00 H new ATOM 0 HA HIS A 69 15.346 1.409 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.008 2.544 3.268 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.162 0.870 2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.168 0.599 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.374 3.898 2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.436 1.879 0.497 1.00 0.00 H new ATOM 843 N CYS A 70 13.431 0.666 2.192 1.00 0.00 N ATOM 844 CA CYS A 70 12.091 0.352 2.668 1.00 0.00 C ATOM 845 C CYS A 70 12.072 0.197 4.186 1.00 0.00 C ATOM 846 O CYS A 70 12.918 -0.489 4.762 1.00 0.00 O ATOM 847 CB CYS A 70 11.576 -0.926 2.000 1.00 0.00 C ATOM 848 SG CYS A 70 9.838 -1.290 2.345 1.00 0.00 S ATOM 0 H CYS A 70 14.043 -0.143 2.079 1.00 0.00 H new ATOM 0 HA CYS A 70 11.434 1.180 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.711 -0.840 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.185 -1.767 2.331 1.00 0.00 H new ATOM 0 HG CYS A 70 9.221 -0.193 2.668 1.00 0.00 H new ATOM 854 N ASN A 71 11.097 0.841 4.823 1.00 0.00 N ATOM 855 CA ASN A 71 10.956 0.811 6.276 1.00 0.00 C ATOM 856 C ASN A 71 9.510 0.503 6.652 1.00 0.00 C ATOM 857 O ASN A 71 9.153 -0.636 6.959 1.00 0.00 O ATOM 858 CB ASN A 71 11.343 2.162 6.897 1.00 0.00 C ATOM 859 CG ASN A 71 12.792 2.552 6.682 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.686 1.706 6.638 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.030 3.849 6.552 1.00 0.00 N ATOM 0 H ASN A 71 10.385 1.396 4.348 1.00 0.00 H new ATOM 0 HA ASN A 71 11.621 0.037 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.703 2.939 6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.143 2.128 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.984 4.181 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.259 4.516 6.595 1.00 0.00 H new ATOM 868 N TYR A 72 8.686 1.541 6.618 1.00 0.00 N ATOM 869 CA TYR A 72 7.269 1.432 6.929 1.00 0.00 C ATOM 870 C TYR A 72 6.469 2.260 5.942 1.00 0.00 C ATOM 871 O TYR A 72 7.040 2.968 5.109 1.00 0.00 O ATOM 872 CB TYR A 72 6.979 1.927 8.348 1.00 0.00 C ATOM 873 CG TYR A 72 7.673 1.146 9.440 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.087 0.012 9.982 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.909 1.544 9.932 1.00 0.00 C ATOM 876 CE1 TYR A 72 7.714 -0.705 10.981 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.543 0.832 10.929 1.00 0.00 C ATOM 878 CZ TYR A 72 8.939 -0.291 11.450 1.00 0.00 C ATOM 879 OH TYR A 72 9.566 -1.008 12.443 1.00 0.00 O ATOM 0 H TYR A 72 8.983 2.485 6.373 1.00 0.00 H new ATOM 0 HA TYR A 72 6.983 0.382 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.277 2.973 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.903 1.889 8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.125 -0.315 9.617 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.382 2.426 9.527 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.245 -1.587 11.392 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.506 1.153 11.298 1.00 0.00 H new ATOM 0 HH TYR A 72 10.423 -0.585 12.661 1.00 0.00 H new ATOM 889 N LEU A 73 5.156 2.183 6.052 1.00 0.00 N ATOM 890 CA LEU A 73 4.274 2.921 5.165 1.00 0.00 C ATOM 891 C LEU A 73 3.685 4.136 5.865 1.00 0.00 C ATOM 892 O LEU A 73 3.161 4.037 6.975 1.00 0.00 O ATOM 893 CB LEU A 73 3.146 2.023 4.652 1.00 0.00 C ATOM 894 CG LEU A 73 3.566 0.924 3.675 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.338 0.232 3.106 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.421 1.496 2.553 1.00 0.00 C ATOM 0 H LEU A 73 4.675 1.615 6.749 1.00 0.00 H new ATOM 0 HA LEU A 73 4.869 3.262 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.660 1.556 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.400 2.651 4.165 1.00 0.00 H new ATOM 0 HG LEU A 73 4.163 0.191 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.649 -0.549 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.762 -0.213 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.721 0.960 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.708 0.696 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.851 2.250 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.317 1.952 2.975 1.00 0.00 H new ATOM 908 N LYS A 74 3.794 5.280 5.215 1.00 0.00 N ATOM 909 CA LYS A 74 3.182 6.505 5.699 1.00 0.00 C ATOM 910 C LYS A 74 2.008 6.861 4.801 1.00 0.00 C ATOM 911 O LYS A 74 2.192 7.224 3.636 1.00 0.00 O ATOM 912 CB LYS A 74 4.201 7.647 5.725 1.00 0.00 C ATOM 913 CG LYS A 74 4.743 7.959 7.111 1.00 0.00 C ATOM 914 CD LYS A 74 5.380 6.742 7.773 1.00 0.00 C ATOM 915 CE LYS A 74 5.848 7.065 9.184 1.00 0.00 C ATOM 916 NZ LYS A 74 6.351 5.862 9.904 1.00 0.00 N ATOM 0 H LYS A 74 4.307 5.387 4.340 1.00 0.00 H new ATOM 0 HA LYS A 74 2.828 6.351 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.034 7.393 5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.736 8.545 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.481 8.758 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.933 8.329 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.661 5.924 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.226 6.401 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.638 7.815 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.023 7.503 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.658 6.133 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.591 5.155 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.155 5.457 9.384 1.00 0.00 H new ATOM 930 N CYS A 75 0.806 6.729 5.333 1.00 0.00 N ATOM 931 CA CYS A 75 -0.395 6.908 4.536 1.00 0.00 C ATOM 932 C CYS A 75 -1.197 8.124 4.996 1.00 0.00 C ATOM 933 O CYS A 75 -1.190 8.481 6.176 1.00 0.00 O ATOM 934 CB CYS A 75 -1.272 5.662 4.630 1.00 0.00 C ATOM 935 SG CYS A 75 -0.355 4.095 4.823 1.00 0.00 S ATOM 0 H CYS A 75 0.635 6.499 6.312 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.086 7.070 3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.952 5.776 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.887 5.599 3.732 1.00 0.00 H new ATOM 940 N THR A 76 -1.885 8.748 4.052 1.00 0.00 N ATOM 941 CA THR A 76 -2.776 9.860 4.343 1.00 0.00 C ATOM 942 C THR A 76 -4.169 9.544 3.796 1.00 0.00 C ATOM 943 O THR A 76 -4.305 8.670 2.936 1.00 0.00 O ATOM 944 CB THR A 76 -2.239 11.179 3.729 1.00 0.00 C ATOM 945 OG1 THR A 76 -3.022 12.302 4.157 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.241 11.119 2.210 1.00 0.00 C ATOM 0 H THR A 76 -1.841 8.498 3.064 1.00 0.00 H new ATOM 0 HA THR A 76 -2.831 9.997 5.423 1.00 0.00 H new ATOM 0 HB THR A 76 -1.214 11.302 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.663 13.122 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.859 12.058 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.607 10.297 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.259 10.959 1.854 1.00 0.00 H new ATOM 954 N ASN A 77 -5.190 10.233 4.312 1.00 0.00 N ATOM 955 CA ASN A 77 -6.582 10.035 3.880 1.00 0.00 C ATOM 956 C ASN A 77 -7.113 8.669 4.302 1.00 0.00 C ATOM 957 O ASN A 77 -7.845 8.029 3.552 1.00 0.00 O ATOM 958 CB ASN A 77 -6.733 10.179 2.357 1.00 0.00 C ATOM 959 CG ASN A 77 -6.719 11.615 1.880 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.086 12.483 2.482 1.00 0.00 O ATOM 961 ND2 ASN A 77 -7.421 11.878 0.787 1.00 0.00 N ATOM 0 H ASN A 77 -5.079 10.941 5.038 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.166 10.814 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.926 9.634 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.667 9.711 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.450 12.828 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.932 11.131 0.317 1.00 0.00 H new ATOM 968 N LEU A 78 -6.770 8.244 5.510 1.00 0.00 N ATOM 969 CA LEU A 78 -7.168 6.929 6.001 1.00 0.00 C ATOM 970 C LEU A 78 -8.680 6.852 6.192 1.00 0.00 C ATOM 971 O LEU A 78 -9.278 7.695 6.872 1.00 0.00 O ATOM 972 CB LEU A 78 -6.455 6.615 7.316 1.00 0.00 C ATOM 973 CG LEU A 78 -4.931 6.506 7.214 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.318 6.302 8.590 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.541 5.368 6.283 1.00 0.00 C ATOM 0 H LEU A 78 -6.216 8.790 6.170 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.879 6.188 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.701 7.392 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.846 5.677 7.709 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.545 7.438 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.234 6.227 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.570 7.148 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.709 5.385 9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.455 5.304 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.938 4.429 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.950 5.554 5.290 1.00 0.00 H new ATOM 987 N ALA A 79 -9.299 5.845 5.590 1.00 0.00 N ATOM 988 CA ALA A 79 -10.748 5.700 5.649 1.00 0.00 C ATOM 989 C ALA A 79 -11.173 4.754 6.771 1.00 0.00 C ATOM 990 O ALA A 79 -11.654 3.648 6.519 1.00 0.00 O ATOM 991 CB ALA A 79 -11.295 5.228 4.308 1.00 0.00 C ATOM 0 H ALA A 79 -8.822 5.118 5.056 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.170 6.681 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.378 5.126 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.045 5.956 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.854 4.264 4.054 1.00 0.00 H new ATOM 997 N ALA A 80 -10.972 5.208 8.008 1.00 0.00 N ATOM 998 CA ALA A 80 -11.425 4.500 9.210 1.00 0.00 C ATOM 999 C ALA A 80 -10.782 3.118 9.349 1.00 0.00 C ATOM 1000 O ALA A 80 -9.699 2.983 9.921 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.947 4.396 9.229 1.00 0.00 C ATOM 0 H ALA A 80 -10.487 6.083 8.208 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.102 5.087 10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.264 3.868 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.380 5.396 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.285 3.850 8.349 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.449 2.101 8.818 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.937 0.748 8.899 1.00 0.00 C ATOM 1009 C GLY A 81 -9.967 0.443 7.782 1.00 0.00 C ATOM 1010 O GLY A 81 -9.210 -0.525 7.850 1.00 0.00 O ATOM 0 H GLY A 81 -12.340 2.191 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.441 0.605 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.767 0.043 8.861 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.985 1.274 6.752 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.077 1.113 5.630 1.00 0.00 C ATOM 1016 C PHE A 82 -7.760 1.825 5.907 1.00 0.00 C ATOM 1017 O PHE A 82 -7.699 3.056 5.953 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.699 1.658 4.345 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.944 0.933 3.918 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.858 -0.226 3.164 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.194 1.411 4.268 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.999 -0.895 2.767 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.339 0.746 3.876 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.241 -0.409 3.124 1.00 0.00 C ATOM 0 H PHE A 82 -10.620 2.068 6.671 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.886 0.048 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.934 2.713 4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.963 1.600 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.888 -0.610 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.275 2.314 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.920 -1.797 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.309 1.128 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.135 -0.931 2.816 1.00 0.00 H new ATOM 1034 N SER A 83 -6.719 1.042 6.126 1.00 0.00 N ATOM 1035 CA SER A 83 -5.386 1.571 6.348 1.00 0.00 C ATOM 1036 C SER A 83 -4.366 0.592 5.790 1.00 0.00 C ATOM 1037 O SER A 83 -4.708 -0.534 5.449 1.00 0.00 O ATOM 1038 CB SER A 83 -5.150 1.805 7.839 1.00 0.00 C ATOM 1039 OG SER A 83 -6.128 2.684 8.372 1.00 0.00 O ATOM 0 H SER A 83 -6.774 0.024 6.155 1.00 0.00 H new ATOM 0 HA SER A 83 -5.282 2.529 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.181 0.854 8.370 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.156 2.224 7.993 1.00 0.00 H new ATOM 0 HG SER A 83 -5.960 2.819 9.328 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.123 1.010 5.689 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.103 0.171 5.084 1.00 0.00 C ATOM 1047 C ALA A 84 -1.293 -0.537 6.156 1.00 0.00 C ATOM 1048 O ALA A 84 -1.298 -0.127 7.320 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.202 0.994 4.180 1.00 0.00 C ATOM 0 H ALA A 84 -2.792 1.918 6.014 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.595 -0.586 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.444 0.348 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.798 1.450 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.716 1.775 4.764 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.604 -1.597 5.757 1.00 0.00 N ATOM 1056 CA GLY A 85 0.109 -2.421 6.712 1.00 0.00 C ATOM 1057 C GLY A 85 1.607 -2.413 6.505 1.00 0.00 C ATOM 1058 O GLY A 85 2.335 -1.718 7.209 1.00 0.00 O ATOM 0 H GLY A 85 -0.526 -1.902 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.114 -2.072 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.256 -3.446 6.641 1.00 0.00 H new ATOM 1062 N THR A 86 2.071 -3.185 5.537 1.00 0.00 N ATOM 1063 CA THR A 86 3.497 -3.341 5.307 1.00 0.00 C ATOM 1064 C THR A 86 3.743 -3.750 3.852 1.00 0.00 C ATOM 1065 O THR A 86 2.828 -3.693 3.030 1.00 0.00 O ATOM 1066 CB THR A 86 4.083 -4.394 6.281 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.517 -4.394 6.232 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.558 -5.791 5.968 1.00 0.00 C ATOM 0 H THR A 86 1.479 -3.714 4.897 1.00 0.00 H new ATOM 0 HA THR A 86 3.998 -2.391 5.492 1.00 0.00 H new ATOM 0 HB THR A 86 3.762 -4.120 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.866 -5.065 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.988 -6.507 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.472 -5.801 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.838 -6.066 4.951 1.00 0.00 H new ATOM 1076 N SER A 87 4.968 -4.140 3.530 1.00 0.00 N ATOM 1077 CA SER A 87 5.307 -4.562 2.179 1.00 0.00 C ATOM 1078 C SER A 87 6.049 -5.895 2.211 1.00 0.00 C ATOM 1079 O SER A 87 6.818 -6.163 3.134 1.00 0.00 O ATOM 1080 CB SER A 87 6.152 -3.487 1.493 1.00 0.00 C ATOM 1081 OG SER A 87 5.479 -2.238 1.503 1.00 0.00 O ATOM 0 H SER A 87 5.746 -4.173 4.189 1.00 0.00 H new ATOM 0 HA SER A 87 4.388 -4.698 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.112 -3.393 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.363 -3.784 0.466 1.00 0.00 H new ATOM 0 HG SER A 87 5.971 -1.597 0.949 1.00 0.00 H new ATOM 1087 N THR A 88 5.807 -6.734 1.210 1.00 0.00 N ATOM 1088 CA THR A 88 6.392 -8.069 1.164 1.00 0.00 C ATOM 1089 C THR A 88 6.865 -8.410 -0.250 1.00 0.00 C ATOM 1090 O THR A 88 7.183 -7.519 -1.040 1.00 0.00 O ATOM 1091 CB THR A 88 5.375 -9.132 1.613 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.194 -9.058 0.810 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.014 -8.972 3.083 1.00 0.00 C ATOM 0 H THR A 88 5.207 -6.512 0.416 1.00 0.00 H new ATOM 0 HA THR A 88 7.244 -8.071 1.844 1.00 0.00 H new ATOM 0 HB THR A 88 5.838 -10.110 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.706 -8.235 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.294 -9.739 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.912 -9.075 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.577 -7.987 3.245 1.00 0.00 H new ATOM 1101 N ASP A 89 6.919 -9.713 -0.538 1.00 0.00 N ATOM 1102 CA ASP A 89 7.221 -10.253 -1.869 1.00 0.00 C ATOM 1103 C ASP A 89 8.624 -9.898 -2.338 1.00 0.00 C ATOM 1104 O ASP A 89 9.536 -10.713 -2.247 1.00 0.00 O ATOM 1105 CB ASP A 89 6.179 -9.792 -2.893 1.00 0.00 C ATOM 1106 CG ASP A 89 6.436 -10.345 -4.282 1.00 0.00 C ATOM 1107 OD1 ASP A 89 6.305 -11.573 -4.468 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.749 -9.551 -5.196 1.00 0.00 O ATOM 0 H ASP A 89 6.751 -10.437 0.160 1.00 0.00 H new ATOM 0 HA ASP A 89 7.177 -11.339 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.188 -10.102 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.175 -8.703 -2.935 1.00 0.00 H new ATOM 1113 N VAL A 90 8.798 -8.678 -2.808 1.00 0.00 N ATOM 1114 CA VAL A 90 10.067 -8.248 -3.364 1.00 0.00 C ATOM 1115 C VAL A 90 11.150 -8.157 -2.292 1.00 0.00 C ATOM 1116 O VAL A 90 12.289 -8.574 -2.509 1.00 0.00 O ATOM 1117 CB VAL A 90 9.921 -6.895 -4.086 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.416 -7.102 -5.503 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.969 -5.993 -3.325 1.00 0.00 C ATOM 0 H VAL A 90 8.071 -7.962 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 90 10.373 -9.002 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 90 10.901 -6.420 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.318 -6.136 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 90 10.122 -7.723 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.444 -7.595 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.875 -5.040 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.991 -6.469 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.356 -5.820 -2.321 1.00 0.00 H new ATOM 1129 N LEU A 91 10.796 -7.610 -1.139 1.00 0.00 N ATOM 1130 CA LEU A 91 11.750 -7.461 -0.046 1.00 0.00 C ATOM 1131 C LEU A 91 11.757 -8.688 0.866 1.00 0.00 C ATOM 1132 O LEU A 91 12.787 -9.035 1.440 1.00 0.00 O ATOM 1133 CB LEU A 91 11.454 -6.184 0.754 1.00 0.00 C ATOM 1134 CG LEU A 91 10.072 -6.109 1.413 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.108 -6.660 2.831 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.570 -4.677 1.408 1.00 0.00 C ATOM 0 H LEU A 91 9.859 -7.262 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 91 12.746 -7.374 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.211 -6.082 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.564 -5.328 0.088 1.00 0.00 H new ATOM 0 HG LEU A 91 9.384 -6.726 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.114 -6.594 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.426 -7.702 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.810 -6.079 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.588 -4.634 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.265 -4.046 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.496 -4.321 0.380 1.00 0.00 H new ATOM 1148 N SER A 92 10.608 -9.342 0.993 1.00 0.00 N ATOM 1149 CA SER A 92 10.469 -10.463 1.913 1.00 0.00 C ATOM 1150 C SER A 92 10.875 -11.778 1.242 1.00 0.00 C ATOM 1151 O SER A 92 11.538 -12.608 1.861 1.00 0.00 O ATOM 1152 CB SER A 92 9.024 -10.536 2.413 1.00 0.00 C ATOM 1153 OG SER A 92 8.878 -11.485 3.453 1.00 0.00 O ATOM 0 H SER A 92 9.761 -9.115 0.471 1.00 0.00 H new ATOM 0 HA SER A 92 11.135 -10.307 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.712 -9.554 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.365 -10.799 1.585 1.00 0.00 H new ATOM 0 HG SER A 92 8.061 -11.292 3.959 1.00 0.00 H new ATOM 1159 N SER A 93 10.493 -11.944 -0.022 1.00 0.00 N ATOM 1160 CA SER A 93 10.807 -13.149 -0.792 1.00 0.00 C ATOM 1161 C SER A 93 10.202 -14.395 -0.136 1.00 0.00 C ATOM 1162 O SER A 93 10.830 -15.044 0.708 1.00 0.00 O ATOM 1163 CB SER A 93 12.328 -13.301 -0.955 1.00 0.00 C ATOM 1164 OG SER A 93 12.650 -14.252 -1.957 1.00 0.00 O ATOM 0 H SER A 93 9.958 -11.249 -0.542 1.00 0.00 H new ATOM 0 HA SER A 93 10.363 -13.045 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.766 -12.337 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.768 -13.607 -0.006 1.00 0.00 H new ATOM 0 HG SER A 93 13.624 -14.325 -2.038 1.00 0.00 H new ATOM 1170 N GLY A 94 8.977 -14.723 -0.533 1.00 0.00 N ATOM 1171 CA GLY A 94 8.301 -15.882 0.023 1.00 0.00 C ATOM 1172 C GLY A 94 7.024 -15.507 0.746 1.00 0.00 C ATOM 1173 O GLY A 94 6.745 -16.005 1.836 1.00 0.00 O ATOM 0 H GLY A 94 8.440 -14.207 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.070 -16.585 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.971 -16.394 0.714 1.00 0.00 H new ATOM 1177 N THR A 95 6.253 -14.625 0.134 1.00 0.00 N ATOM 1178 CA THR A 95 5.007 -14.145 0.711 1.00 0.00 C ATOM 1179 C THR A 95 3.900 -14.175 -0.335 1.00 0.00 C ATOM 1180 O THR A 95 4.130 -14.568 -1.481 1.00 0.00 O ATOM 1181 CB THR A 95 5.162 -12.696 1.196 1.00 0.00 C ATOM 1182 OG1 THR A 95 5.604 -11.878 0.116 1.00 0.00 O ATOM 1183 CG2 THR A 95 6.150 -12.590 2.341 1.00 0.00 C ATOM 0 H THR A 95 6.472 -14.221 -0.777 1.00 0.00 H new ATOM 0 HA THR A 95 4.755 -14.794 1.550 1.00 0.00 H new ATOM 0 HB THR A 95 4.190 -12.358 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.879 -11.279 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.232 -11.550 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.803 -13.196 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.126 -12.948 2.014 1.00 0.00 H new ATOM 1191 N VAL A 96 2.710 -13.748 0.059 1.00 0.00 N ATOM 1192 CA VAL A 96 1.613 -13.569 -0.875 1.00 0.00 C ATOM 1193 C VAL A 96 1.180 -12.106 -0.896 1.00 0.00 C ATOM 1194 O VAL A 96 1.060 -11.467 0.150 1.00 0.00 O ATOM 1195 CB VAL A 96 0.402 -14.463 -0.524 1.00 0.00 C ATOM 1196 CG1 VAL A 96 0.745 -15.929 -0.728 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -0.067 -14.221 0.905 1.00 0.00 C ATOM 0 H VAL A 96 2.480 -13.518 1.026 1.00 0.00 H new ATOM 0 HA VAL A 96 1.972 -13.865 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.415 -14.198 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.119 -16.543 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.018 -16.097 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.582 -16.200 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.920 -14.864 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.744 -14.448 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.361 -13.178 1.020 1.00 0.00 H new ATOM 1207 N GLY A 97 0.986 -11.574 -2.091 1.00 0.00 N ATOM 1208 CA GLY A 97 0.519 -10.213 -2.229 1.00 0.00 C ATOM 1209 C GLY A 97 -0.959 -10.182 -2.524 1.00 0.00 C ATOM 1210 O GLY A 97 -1.780 -10.138 -1.612 1.00 0.00 O ATOM 0 H GLY A 97 1.145 -12.063 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.723 -9.659 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.065 -9.716 -3.031 1.00 0.00 H new ATOM 1214 N SER A 98 -1.299 -10.218 -3.797 1.00 0.00 N ATOM 1215 CA SER A 98 -2.681 -10.333 -4.210 1.00 0.00 C ATOM 1216 C SER A 98 -2.809 -11.453 -5.234 1.00 0.00 C ATOM 1217 O SER A 98 -2.834 -12.634 -4.817 1.00 0.00 O ATOM 1218 CB SER A 98 -3.189 -9.006 -4.785 1.00 0.00 C ATOM 1219 OG SER A 98 -3.156 -7.972 -3.806 1.00 0.00 O ATOM 1220 OXT SER A 98 -2.854 -11.160 -6.445 1.00 0.00 O ATOM 0 H SER A 98 -0.632 -10.169 -4.567 1.00 0.00 H new ATOM 0 HA SER A 98 -3.296 -10.572 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.577 -8.720 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.208 -9.132 -5.150 1.00 0.00 H new ATOM 0 HG SER A 98 -3.658 -8.256 -3.014 1.00 0.00 H new TER 1226 SER A 98