USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 419 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 142 TYR OH : rot 171:sc= 0.999 USER MOD Set 1.2: A 172 SER OG : rot -92:sc= 1.1 USER MOD Set 2.1: A 168 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 171 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 127 CYS SG : rot -150:sc= -0.0113 USER MOD Set 3.2: A 132 CYS SG : rot -137:sc= -0.172 USER MOD Set 3.3: A 149 CYS SG : rot 180:sc= -0.378 USER MOD Set 3.4: A 152 HIS : no HD1:sc= -2.85 K(o=-3.4,f=-4!) USER MOD Set 4.1: A 143 HIS : no HE2:sc= -1.11 K(o=0.12,f=-5.9!) USER MOD Set 4.2: A 153 SER OG : rot -161:sc= 1.23 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.0548 USER MOD Single : A 128 GLN : amide:sc= -3.47 X(o=-3.5,f=-3) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-0.92) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.156) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -2.67 K(o=-2.7,f=-4!) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.396 15.357 -5.485 1.00 0.00 N ATOM 2 CA ALA A 124 1.536 14.785 -4.417 1.00 0.00 C ATOM 3 C ALA A 124 0.647 13.674 -4.966 1.00 0.00 C ATOM 4 O ALA A 124 -0.337 13.937 -5.658 1.00 0.00 O ATOM 5 CB ALA A 124 0.685 15.875 -3.784 1.00 0.00 C ATOM 0 HA ALA A 124 2.185 14.355 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.060 15.441 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.333 16.636 -3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.051 16.330 -4.545 1.00 0.00 H new ATOM 11 N ILE A 125 1.001 12.432 -4.656 1.00 0.00 N ATOM 12 CA ILE A 125 0.235 11.280 -5.119 1.00 0.00 C ATOM 13 C ILE A 125 -0.671 10.745 -4.016 1.00 0.00 C ATOM 14 O ILE A 125 -0.416 10.961 -2.831 1.00 0.00 O ATOM 15 CB ILE A 125 1.162 10.148 -5.605 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.253 10.706 -6.520 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.356 9.078 -6.325 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.373 9.726 -6.792 1.00 0.00 C ATOM 0 H ILE A 125 1.813 12.197 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.377 11.620 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 125 1.641 9.694 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.804 11.004 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.670 11.606 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.024 8.285 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.386 8.662 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.148 9.519 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.111 10.189 -7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.848 9.446 -5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.968 8.835 -7.273 1.00 0.00 H new ATOM 30 N CYS A 126 -1.730 10.047 -4.412 1.00 0.00 N ATOM 31 CA CYS A 126 -2.675 9.483 -3.453 1.00 0.00 C ATOM 32 C CYS A 126 -2.554 7.963 -3.397 1.00 0.00 C ATOM 33 O CYS A 126 -2.040 7.337 -4.324 1.00 0.00 O ATOM 34 CB CYS A 126 -4.106 9.879 -3.823 1.00 0.00 C ATOM 35 SG CYS A 126 -4.538 9.557 -5.549 1.00 0.00 S ATOM 0 H CYS A 126 -1.956 9.858 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.437 9.884 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.799 9.338 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.242 10.941 -3.617 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.767 9.923 -5.764 1.00 0.00 H new ATOM 41 N CYS A 127 -3.030 7.378 -2.304 1.00 0.00 N ATOM 42 CA CYS A 127 -2.976 5.932 -2.126 1.00 0.00 C ATOM 43 C CYS A 127 -3.846 5.223 -3.159 1.00 0.00 C ATOM 44 O CYS A 127 -4.947 5.674 -3.472 1.00 0.00 O ATOM 45 CB CYS A 127 -3.431 5.553 -0.715 1.00 0.00 C ATOM 46 SG CYS A 127 -3.076 3.840 -0.255 1.00 0.00 S ATOM 0 H CYS A 127 -3.458 7.883 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.943 5.613 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.947 6.217 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.504 5.724 -0.634 1.00 0.00 H new ATOM 0 HG CYS A 127 -3.974 3.422 0.587 1.00 0.00 H new ATOM 51 N GLN A 128 -3.343 4.111 -3.686 1.00 0.00 N ATOM 52 CA GLN A 128 -4.073 3.341 -4.685 1.00 0.00 C ATOM 53 C GLN A 128 -5.197 2.536 -4.039 1.00 0.00 C ATOM 54 O GLN A 128 -6.225 2.277 -4.663 1.00 0.00 O ATOM 55 CB GLN A 128 -3.123 2.402 -5.432 1.00 0.00 C ATOM 56 CG GLN A 128 -2.443 1.382 -4.533 1.00 0.00 C ATOM 57 CD GLN A 128 -1.497 0.476 -5.294 1.00 0.00 C ATOM 58 OE1 GLN A 128 -1.894 -0.195 -6.248 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.237 0.447 -4.876 1.00 0.00 N ATOM 0 H GLN A 128 -2.433 3.724 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.513 4.041 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.681 1.876 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.360 2.996 -5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.891 1.903 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.202 0.776 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.050 1.019 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.444 -0.147 -5.349 1.00 0.00 H new ATOM 68 N VAL A 129 -4.995 2.144 -2.785 1.00 0.00 N ATOM 69 CA VAL A 129 -5.991 1.371 -2.056 1.00 0.00 C ATOM 70 C VAL A 129 -7.311 2.129 -1.957 1.00 0.00 C ATOM 71 O VAL A 129 -7.327 3.347 -1.780 1.00 0.00 O ATOM 72 CB VAL A 129 -5.505 1.024 -0.636 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.479 0.075 0.047 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.110 0.420 -0.683 1.00 0.00 C ATOM 0 H VAL A 129 -4.149 2.350 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.145 0.448 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.461 1.944 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.118 -0.158 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.459 0.547 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.558 -0.844 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.783 0.181 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.127 -0.490 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.419 1.135 -1.129 1.00 0.00 H new ATOM 84 N ASP A 130 -8.417 1.399 -2.068 1.00 0.00 N ATOM 85 CA ASP A 130 -9.740 2.002 -1.988 1.00 0.00 C ATOM 86 C ASP A 130 -10.075 2.386 -0.550 1.00 0.00 C ATOM 87 O ASP A 130 -9.523 1.827 0.396 1.00 0.00 O ATOM 88 CB ASP A 130 -10.797 1.036 -2.528 1.00 0.00 C ATOM 89 CG ASP A 130 -10.629 0.763 -4.010 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.489 0.879 -4.508 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.636 0.435 -4.672 1.00 0.00 O ATOM 0 H ASP A 130 -8.421 0.389 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.738 2.906 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.740 0.096 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.789 1.450 -2.348 1.00 0.00 H new ATOM 96 N ASN A 131 -10.981 3.345 -0.396 1.00 0.00 N ATOM 97 CA ASN A 131 -11.393 3.805 0.926 1.00 0.00 C ATOM 98 C ASN A 131 -10.214 4.400 1.693 1.00 0.00 C ATOM 99 O ASN A 131 -10.208 4.412 2.924 1.00 0.00 O ATOM 100 CB ASN A 131 -12.004 2.651 1.723 1.00 0.00 C ATOM 101 CG ASN A 131 -13.315 2.171 1.133 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.957 2.880 0.358 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.720 0.961 1.498 1.00 0.00 N ATOM 0 H ASN A 131 -11.445 3.820 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.143 4.584 0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.298 1.821 1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.167 2.970 2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.595 0.585 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.156 0.407 2.143 1.00 0.00 H new ATOM 110 N CYS A 132 -9.221 4.895 0.961 1.00 0.00 N ATOM 111 CA CYS A 132 -8.043 5.494 1.579 1.00 0.00 C ATOM 112 C CYS A 132 -7.635 6.769 0.848 1.00 0.00 C ATOM 113 O CYS A 132 -7.058 6.716 -0.238 1.00 0.00 O ATOM 114 CB CYS A 132 -6.877 4.501 1.582 1.00 0.00 C ATOM 115 SG CYS A 132 -5.510 4.974 2.669 1.00 0.00 S ATOM 0 H CYS A 132 -9.208 4.893 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.296 5.749 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.248 3.522 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.499 4.397 0.565 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.380 4.752 2.066 1.00 0.00 H new ATOM 120 N GLY A 133 -7.938 7.913 1.451 1.00 0.00 N ATOM 121 CA GLY A 133 -7.596 9.185 0.844 1.00 0.00 C ATOM 122 C GLY A 133 -6.296 9.752 1.381 1.00 0.00 C ATOM 123 O GLY A 133 -6.121 10.969 1.445 1.00 0.00 O ATOM 0 H GLY A 133 -8.415 7.982 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.516 9.059 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.401 9.898 1.023 1.00 0.00 H new ATOM 127 N ALA A 134 -5.381 8.867 1.765 1.00 0.00 N ATOM 128 CA ALA A 134 -4.091 9.285 2.299 1.00 0.00 C ATOM 129 C ALA A 134 -3.275 10.028 1.247 1.00 0.00 C ATOM 130 O ALA A 134 -3.149 9.574 0.110 1.00 0.00 O ATOM 131 CB ALA A 134 -3.320 8.080 2.814 1.00 0.00 C ATOM 0 H ALA A 134 -5.510 7.856 1.716 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.273 9.969 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.358 8.406 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.892 7.593 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.157 7.377 1.998 1.00 0.00 H new ATOM 137 N ASP A 135 -2.722 11.173 1.635 1.00 0.00 N ATOM 138 CA ASP A 135 -1.918 11.980 0.725 1.00 0.00 C ATOM 139 C ASP A 135 -0.445 11.598 0.817 1.00 0.00 C ATOM 140 O ASP A 135 0.167 11.692 1.881 1.00 0.00 O ATOM 141 CB ASP A 135 -2.091 13.467 1.042 1.00 0.00 C ATOM 142 CG ASP A 135 -1.892 14.345 -0.178 1.00 0.00 C ATOM 143 OD1 ASP A 135 -0.823 14.242 -0.816 1.00 0.00 O ATOM 144 OD2 ASP A 135 -2.805 15.135 -0.495 1.00 0.00 O ATOM 0 H ASP A 135 -2.816 11.562 2.573 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.262 11.789 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.088 13.635 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.379 13.756 1.815 1.00 0.00 H new ATOM 149 N LEU A 136 0.121 11.168 -0.306 1.00 0.00 N ATOM 150 CA LEU A 136 1.523 10.772 -0.353 1.00 0.00 C ATOM 151 C LEU A 136 2.416 11.974 -0.649 1.00 0.00 C ATOM 152 O LEU A 136 3.212 11.955 -1.588 1.00 0.00 O ATOM 153 CB LEU A 136 1.735 9.688 -1.412 1.00 0.00 C ATOM 154 CG LEU A 136 0.784 8.495 -1.317 1.00 0.00 C ATOM 155 CD1 LEU A 136 0.828 7.675 -2.599 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.136 7.630 -0.117 1.00 0.00 C ATOM 0 H LEU A 136 -0.370 11.085 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 136 1.795 10.371 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.629 10.140 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.759 9.323 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.231 8.871 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.145 6.830 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.529 8.300 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.841 7.308 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.450 6.785 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.157 7.262 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.054 8.222 0.795 1.00 0.00 H new ATOM 168 N SER A 137 2.278 13.020 0.160 1.00 0.00 N ATOM 169 CA SER A 137 3.070 14.231 -0.014 1.00 0.00 C ATOM 170 C SER A 137 4.130 14.349 1.076 1.00 0.00 C ATOM 171 O SER A 137 5.212 14.892 0.850 1.00 0.00 O ATOM 172 CB SER A 137 2.164 15.464 0.004 1.00 0.00 C ATOM 173 OG SER A 137 1.561 15.635 1.276 1.00 0.00 O ATOM 0 H SER A 137 1.625 13.053 0.943 1.00 0.00 H new ATOM 0 HA SER A 137 3.573 14.171 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.746 16.351 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.391 15.363 -0.758 1.00 0.00 H new ATOM 0 HG SER A 137 0.988 16.430 1.262 1.00 0.00 H new ATOM 179 N LYS A 138 3.810 13.840 2.261 1.00 0.00 N ATOM 180 CA LYS A 138 4.734 13.889 3.390 1.00 0.00 C ATOM 181 C LYS A 138 5.895 12.922 3.187 1.00 0.00 C ATOM 182 O LYS A 138 7.018 13.187 3.617 1.00 0.00 O ATOM 183 CB LYS A 138 4.000 13.555 4.688 1.00 0.00 C ATOM 184 CG LYS A 138 4.544 14.293 5.902 1.00 0.00 C ATOM 185 CD LYS A 138 4.320 13.502 7.180 1.00 0.00 C ATOM 186 CE LYS A 138 5.391 13.804 8.216 1.00 0.00 C ATOM 187 NZ LYS A 138 4.970 14.885 9.150 1.00 0.00 N ATOM 0 H LYS A 138 2.918 13.389 2.465 1.00 0.00 H new ATOM 0 HA LYS A 138 5.135 14.900 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.943 13.795 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.065 12.482 4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.610 14.478 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.060 15.266 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.338 13.740 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.321 12.436 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.613 12.900 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.312 14.098 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.727 15.061 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.783 15.755 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 4.106 14.594 9.650 1.00 0.00 H new ATOM 201 N VAL A 139 5.619 11.802 2.529 1.00 0.00 N ATOM 202 CA VAL A 139 6.642 10.795 2.271 1.00 0.00 C ATOM 203 C VAL A 139 7.768 11.362 1.414 1.00 0.00 C ATOM 204 O VAL A 139 7.662 12.465 0.881 1.00 0.00 O ATOM 205 CB VAL A 139 6.048 9.559 1.570 1.00 0.00 C ATOM 206 CG1 VAL A 139 5.204 8.747 2.541 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.228 9.974 0.360 1.00 0.00 C ATOM 0 H VAL A 139 4.696 11.568 2.164 1.00 0.00 H new ATOM 0 HA VAL A 139 7.043 10.496 3.239 1.00 0.00 H new ATOM 0 HB VAL A 139 6.870 8.931 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.793 7.878 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.825 8.416 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.389 9.364 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.817 9.087 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.414 10.625 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.865 10.508 -0.345 1.00 0.00 H new ATOM 217 N LYS A 140 8.849 10.599 1.287 1.00 0.00 N ATOM 218 CA LYS A 140 9.998 11.026 0.495 1.00 0.00 C ATOM 219 C LYS A 140 10.142 10.177 -0.763 1.00 0.00 C ATOM 220 O LYS A 140 10.497 10.683 -1.827 1.00 0.00 O ATOM 221 CB LYS A 140 11.277 10.941 1.331 1.00 0.00 C ATOM 222 CG LYS A 140 11.231 11.776 2.601 1.00 0.00 C ATOM 223 CD LYS A 140 12.470 12.645 2.745 1.00 0.00 C ATOM 224 CE LYS A 140 12.174 13.909 3.537 1.00 0.00 C ATOM 225 NZ LYS A 140 11.949 15.081 2.647 1.00 0.00 N ATOM 0 H LYS A 140 8.954 9.682 1.722 1.00 0.00 H new ATOM 0 HA LYS A 140 9.835 12.061 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.458 9.900 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 140 12.121 11.266 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.342 12.407 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.144 11.119 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.257 12.079 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.845 12.913 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.293 13.750 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 140 13.005 14.119 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 11.750 15.923 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 12.799 15.249 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 11.140 14.892 2.022 1.00 0.00 H new ATOM 239 N ASP A 141 9.865 8.885 -0.632 1.00 0.00 N ATOM 240 CA ASP A 141 9.965 7.966 -1.759 1.00 0.00 C ATOM 241 C ASP A 141 9.497 6.568 -1.364 1.00 0.00 C ATOM 242 O ASP A 141 9.016 6.355 -0.252 1.00 0.00 O ATOM 243 CB ASP A 141 11.404 7.909 -2.273 1.00 0.00 C ATOM 244 CG ASP A 141 11.475 7.812 -3.784 1.00 0.00 C ATOM 245 OD1 ASP A 141 11.258 8.843 -4.456 1.00 0.00 O ATOM 246 OD2 ASP A 141 11.747 6.706 -4.296 1.00 0.00 O ATOM 0 H ASP A 141 9.570 8.451 0.242 1.00 0.00 H new ATOM 0 HA ASP A 141 9.318 8.335 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.940 8.799 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.910 7.050 -1.832 1.00 0.00 H new ATOM 251 N TYR A 142 9.644 5.619 -2.285 1.00 0.00 N ATOM 252 CA TYR A 142 9.239 4.238 -2.039 1.00 0.00 C ATOM 253 C TYR A 142 7.721 4.124 -1.940 1.00 0.00 C ATOM 254 O TYR A 142 7.075 3.523 -2.800 1.00 0.00 O ATOM 255 CB TYR A 142 9.887 3.708 -0.758 1.00 0.00 C ATOM 256 CG TYR A 142 10.194 2.229 -0.800 1.00 0.00 C ATOM 257 CD1 TYR A 142 11.216 1.734 -1.601 1.00 0.00 C ATOM 258 CD2 TYR A 142 9.461 1.326 -0.039 1.00 0.00 C ATOM 259 CE1 TYR A 142 11.499 0.382 -1.641 1.00 0.00 C ATOM 260 CE2 TYR A 142 9.738 -0.027 -0.075 1.00 0.00 C ATOM 261 CZ TYR A 142 10.758 -0.494 -0.877 1.00 0.00 C ATOM 262 OH TYR A 142 11.036 -1.840 -0.916 1.00 0.00 O ATOM 0 H TYR A 142 10.041 5.782 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 142 9.577 3.635 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.811 4.257 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.224 3.909 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 142 11.798 2.417 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 142 8.662 1.688 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 142 12.297 0.013 -2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 142 9.159 -0.716 0.522 1.00 0.00 H new ATOM 0 HH TYR A 142 10.524 -2.300 -0.219 1.00 0.00 H new ATOM 272 N HIS A 143 7.157 4.705 -0.888 1.00 0.00 N ATOM 273 CA HIS A 143 5.715 4.671 -0.673 1.00 0.00 C ATOM 274 C HIS A 143 4.984 5.434 -1.774 1.00 0.00 C ATOM 275 O HIS A 143 3.849 5.105 -2.122 1.00 0.00 O ATOM 276 CB HIS A 143 5.370 5.267 0.691 1.00 0.00 C ATOM 277 CG HIS A 143 5.747 4.388 1.842 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.558 4.805 2.876 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.418 3.103 2.121 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.712 3.816 3.740 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.030 2.773 3.304 1.00 0.00 N ATOM 0 H HIS A 143 7.678 5.207 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 143 5.391 3.630 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.875 6.227 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.299 5.465 0.731 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.974 5.732 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.791 2.458 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.296 3.855 4.648 1.00 0.00 H new ATOM 289 N ARG A 144 5.640 6.454 -2.317 1.00 0.00 N ATOM 290 CA ARG A 144 5.053 7.265 -3.378 1.00 0.00 C ATOM 291 C ARG A 144 5.335 6.660 -4.751 1.00 0.00 C ATOM 292 O ARG A 144 4.572 6.860 -5.696 1.00 0.00 O ATOM 293 CB ARG A 144 5.601 8.694 -3.312 1.00 0.00 C ATOM 294 CG ARG A 144 4.530 9.745 -3.075 1.00 0.00 C ATOM 295 CD ARG A 144 4.837 11.033 -3.822 1.00 0.00 C ATOM 296 NE ARG A 144 5.848 11.835 -3.138 1.00 0.00 N ATOM 297 CZ ARG A 144 6.052 13.129 -3.373 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.317 13.771 -4.274 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.993 13.784 -2.706 1.00 0.00 N ATOM 0 H ARG A 144 6.579 6.739 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 144 3.973 7.287 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.341 8.754 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.119 8.919 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.563 9.359 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.452 9.952 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 144 5.183 10.795 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 144 3.923 11.617 -3.929 1.00 0.00 H new ATOM 0 HE ARG A 144 6.432 11.376 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.592 13.272 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 144 5.478 14.763 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 144 7.560 13.296 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 144 7.149 14.776 -2.886 1.00 0.00 H new ATOM 313 N ARG A 145 6.436 5.921 -4.854 1.00 0.00 N ATOM 314 CA ARG A 145 6.818 5.292 -6.113 1.00 0.00 C ATOM 315 C ARG A 145 5.809 4.222 -6.524 1.00 0.00 C ATOM 316 O ARG A 145 5.402 4.156 -7.683 1.00 0.00 O ATOM 317 CB ARG A 145 8.212 4.672 -5.992 1.00 0.00 C ATOM 318 CG ARG A 145 9.019 4.730 -7.279 1.00 0.00 C ATOM 319 CD ARG A 145 8.453 3.799 -8.339 1.00 0.00 C ATOM 320 NE ARG A 145 9.490 2.965 -8.945 1.00 0.00 N ATOM 321 CZ ARG A 145 9.239 1.851 -9.627 1.00 0.00 C ATOM 322 NH1 ARG A 145 7.989 1.433 -9.796 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.240 1.153 -10.145 1.00 0.00 N ATOM 0 H ARG A 145 7.078 5.744 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 145 6.832 6.063 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.762 5.187 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.112 3.632 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 145 9.026 5.752 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 145 10.054 4.459 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 145 7.690 3.162 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 145 7.962 4.388 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 145 10.462 3.254 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 145 7.215 1.967 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 145 7.804 0.578 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.201 1.470 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.049 0.299 -10.668 1.00 0.00 H new ATOM 337 N HIS A 146 5.412 3.387 -5.569 1.00 0.00 N ATOM 338 CA HIS A 146 4.453 2.321 -5.840 1.00 0.00 C ATOM 339 C HIS A 146 3.030 2.744 -5.481 1.00 0.00 C ATOM 340 O HIS A 146 2.135 1.905 -5.376 1.00 0.00 O ATOM 341 CB HIS A 146 4.833 1.059 -5.062 1.00 0.00 C ATOM 342 CG HIS A 146 4.690 -0.201 -5.859 1.00 0.00 C ATOM 343 ND1 HIS A 146 3.471 -0.702 -6.264 1.00 0.00 N ATOM 344 CD2 HIS A 146 5.624 -1.063 -6.329 1.00 0.00 C ATOM 345 CE1 HIS A 146 3.660 -1.817 -6.948 1.00 0.00 C ATOM 346 NE2 HIS A 146 4.958 -2.057 -7.001 1.00 0.00 N ATOM 0 H HIS A 146 5.738 3.427 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 146 4.483 2.111 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.865 1.149 -4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.208 0.989 -4.172 1.00 0.00 H new ATOM 0 HD1 HIS A 146 2.565 -0.278 -6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.693 -0.983 -6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 146 2.886 -2.428 -7.388 1.00 0.00 H new ATOM 354 N LYS A 147 2.822 4.045 -5.295 1.00 0.00 N ATOM 355 CA LYS A 147 1.502 4.569 -4.952 1.00 0.00 C ATOM 356 C LYS A 147 0.894 3.807 -3.778 1.00 0.00 C ATOM 357 O LYS A 147 0.153 2.843 -3.966 1.00 0.00 O ATOM 358 CB LYS A 147 0.570 4.487 -6.164 1.00 0.00 C ATOM 359 CG LYS A 147 0.503 5.776 -6.968 1.00 0.00 C ATOM 360 CD LYS A 147 -0.571 5.708 -8.042 1.00 0.00 C ATOM 361 CE LYS A 147 0.022 5.379 -9.404 1.00 0.00 C ATOM 362 NZ LYS A 147 -0.649 6.132 -10.498 1.00 0.00 N ATOM 0 H LYS A 147 3.549 4.755 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 147 1.621 5.612 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.904 3.679 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.433 4.228 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.298 6.613 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.471 5.968 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -1.309 4.952 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -1.096 6.662 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 147 1.087 5.613 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 147 -0.069 4.309 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.216 5.880 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -1.660 5.890 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -0.540 7.153 -10.334 1.00 0.00 H new ATOM 376 N VAL A 148 1.214 4.247 -2.564 1.00 0.00 N ATOM 377 CA VAL A 148 0.701 3.607 -1.359 1.00 0.00 C ATOM 378 C VAL A 148 1.192 4.325 -0.106 1.00 0.00 C ATOM 379 O VAL A 148 2.363 4.689 -0.008 1.00 0.00 O ATOM 380 CB VAL A 148 1.118 2.124 -1.290 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.633 1.993 -1.226 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.465 1.438 -0.097 1.00 0.00 C ATOM 0 H VAL A 148 1.826 5.044 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.386 3.667 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 148 0.773 1.629 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.905 0.939 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.075 2.442 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.005 2.505 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.772 0.392 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.775 1.935 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.619 1.495 -0.193 1.00 0.00 H new ATOM 392 N CYS A 149 0.290 4.524 0.850 1.00 0.00 N ATOM 393 CA CYS A 149 0.635 5.198 2.095 1.00 0.00 C ATOM 394 C CYS A 149 1.500 4.298 2.975 1.00 0.00 C ATOM 395 O CYS A 149 1.941 3.232 2.545 1.00 0.00 O ATOM 396 CB CYS A 149 -0.634 5.615 2.846 1.00 0.00 C ATOM 397 SG CYS A 149 -1.589 4.236 3.524 1.00 0.00 S ATOM 0 H CYS A 149 -0.684 4.228 0.786 1.00 0.00 H new ATOM 0 HA CYS A 149 1.207 6.093 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.356 6.284 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.271 6.184 2.169 1.00 0.00 H new ATOM 0 HG CYS A 149 -2.638 4.696 4.139 1.00 0.00 H new ATOM 402 N GLU A 150 1.741 4.736 4.207 1.00 0.00 N ATOM 403 CA GLU A 150 2.558 3.970 5.142 1.00 0.00 C ATOM 404 C GLU A 150 1.737 2.884 5.832 1.00 0.00 C ATOM 405 O GLU A 150 2.272 1.850 6.233 1.00 0.00 O ATOM 406 CB GLU A 150 3.176 4.899 6.190 1.00 0.00 C ATOM 407 CG GLU A 150 4.498 5.511 5.756 1.00 0.00 C ATOM 408 CD GLU A 150 5.594 5.325 6.784 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.277 5.291 7.992 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.772 5.213 6.384 1.00 0.00 O ATOM 0 H GLU A 150 1.383 5.615 4.580 1.00 0.00 H new ATOM 0 HA GLU A 150 3.354 3.488 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.471 5.699 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.329 4.340 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.810 5.061 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.357 6.576 5.570 1.00 0.00 H new ATOM 417 N ILE A 151 0.436 3.124 5.968 1.00 0.00 N ATOM 418 CA ILE A 151 -0.454 2.166 6.615 1.00 0.00 C ATOM 419 C ILE A 151 -0.497 0.846 5.848 1.00 0.00 C ATOM 420 O ILE A 151 0.010 -0.173 6.318 1.00 0.00 O ATOM 421 CB ILE A 151 -1.885 2.723 6.741 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.863 4.113 7.382 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.756 1.775 7.553 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.188 4.145 8.735 1.00 0.00 C ATOM 0 H ILE A 151 -0.025 3.973 5.639 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.053 1.988 7.613 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.311 2.811 5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.350 4.804 6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.887 4.472 7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.763 2.184 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.796 0.804 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.333 1.657 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.210 5.161 9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.714 3.479 9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.153 3.817 8.633 1.00 0.00 H new ATOM 436 N HIS A 152 -1.108 0.870 4.668 1.00 0.00 N ATOM 437 CA HIS A 152 -1.221 -0.325 3.839 1.00 0.00 C ATOM 438 C HIS A 152 0.155 -0.875 3.474 1.00 0.00 C ATOM 439 O HIS A 152 0.300 -2.067 3.196 1.00 0.00 O ATOM 440 CB HIS A 152 -2.013 -0.015 2.567 1.00 0.00 C ATOM 441 CG HIS A 152 -3.456 0.293 2.823 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.996 1.552 2.678 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.475 -0.506 3.221 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.282 1.518 2.976 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.598 0.279 3.307 1.00 0.00 N ATOM 0 H HIS A 152 -1.533 1.705 4.264 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.750 -1.084 4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.553 0.833 2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.946 -0.867 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.415 -1.564 3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.959 2.359 2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.526 -0.043 3.582 1.00 0.00 H new ATOM 452 N SER A 153 1.161 -0.006 3.476 1.00 0.00 N ATOM 453 CA SER A 153 2.521 -0.414 3.145 1.00 0.00 C ATOM 454 C SER A 153 2.985 -1.550 4.050 1.00 0.00 C ATOM 455 O SER A 153 3.571 -2.529 3.590 1.00 0.00 O ATOM 456 CB SER A 153 3.477 0.773 3.264 1.00 0.00 C ATOM 457 OG SER A 153 4.828 0.348 3.221 1.00 0.00 O ATOM 0 H SER A 153 1.060 0.983 3.703 1.00 0.00 H new ATOM 0 HA SER A 153 2.525 -0.771 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.289 1.478 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.289 1.303 4.198 1.00 0.00 H new ATOM 0 HG SER A 153 5.404 1.052 3.586 1.00 0.00 H new ATOM 463 N LYS A 154 2.717 -1.407 5.343 1.00 0.00 N ATOM 464 CA LYS A 154 3.102 -2.414 6.320 1.00 0.00 C ATOM 465 C LYS A 154 1.870 -2.984 7.020 1.00 0.00 C ATOM 466 O LYS A 154 1.898 -3.278 8.215 1.00 0.00 O ATOM 467 CB LYS A 154 4.056 -1.806 7.350 1.00 0.00 C ATOM 468 CG LYS A 154 4.550 -2.802 8.380 1.00 0.00 C ATOM 469 CD LYS A 154 6.005 -2.556 8.745 1.00 0.00 C ATOM 470 CE LYS A 154 6.136 -1.546 9.874 1.00 0.00 C ATOM 471 NZ LYS A 154 5.986 -0.148 9.386 1.00 0.00 N ATOM 0 H LYS A 154 2.233 -0.601 5.738 1.00 0.00 H new ATOM 0 HA LYS A 154 3.609 -3.226 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 154 4.913 -1.377 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.551 -0.987 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 154 3.933 -2.735 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 154 4.438 -3.814 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.470 -3.496 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.544 -2.195 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.380 -1.749 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.108 -1.661 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 6.248 0.514 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.607 0.002 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 4.998 0.018 9.107 1.00 0.00 H new ATOM 485 N ALA A 155 0.786 -3.137 6.264 1.00 0.00 N ATOM 486 CA ALA A 155 -0.457 -3.671 6.809 1.00 0.00 C ATOM 487 C ALA A 155 -0.619 -5.146 6.460 1.00 0.00 C ATOM 488 O ALA A 155 0.235 -5.736 5.801 1.00 0.00 O ATOM 489 CB ALA A 155 -1.644 -2.871 6.297 1.00 0.00 C ATOM 0 H ALA A 155 0.744 -2.899 5.273 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.417 -3.584 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.565 -3.281 6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.540 -1.830 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.679 -2.928 5.209 1.00 0.00 H new ATOM 495 N THR A 156 -1.723 -5.737 6.907 1.00 0.00 N ATOM 496 CA THR A 156 -1.998 -7.143 6.642 1.00 0.00 C ATOM 497 C THR A 156 -2.994 -7.303 5.499 1.00 0.00 C ATOM 498 O THR A 156 -2.776 -8.091 4.578 1.00 0.00 O ATOM 499 CB THR A 156 -2.550 -7.854 7.892 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.348 -6.946 8.660 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.417 -8.393 8.751 1.00 0.00 C ATOM 0 H THR A 156 -2.441 -5.263 7.455 1.00 0.00 H new ATOM 0 HA THR A 156 -1.050 -7.602 6.361 1.00 0.00 H new ATOM 0 HB THR A 156 -3.167 -8.691 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.697 -7.406 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.831 -8.891 9.628 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.829 -9.106 8.173 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.778 -7.569 9.069 1.00 0.00 H new ATOM 509 N THR A 157 -4.089 -6.552 5.565 1.00 0.00 N ATOM 510 CA THR A 157 -5.119 -6.610 4.534 1.00 0.00 C ATOM 511 C THR A 157 -5.318 -5.251 3.876 1.00 0.00 C ATOM 512 O THR A 157 -5.315 -4.218 4.546 1.00 0.00 O ATOM 513 CB THR A 157 -6.465 -7.089 5.111 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.729 -6.425 6.354 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.458 -8.594 5.328 1.00 0.00 C ATOM 0 H THR A 157 -4.286 -5.896 6.321 1.00 0.00 H new ATOM 0 HA THR A 157 -4.776 -7.325 3.786 1.00 0.00 H new ATOM 0 HB THR A 157 -7.249 -6.845 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.587 -6.733 6.714 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.419 -8.907 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.286 -9.098 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.664 -8.857 6.027 1.00 0.00 H new ATOM 523 N ALA A 158 -5.493 -5.257 2.558 1.00 0.00 N ATOM 524 CA ALA A 158 -5.694 -4.025 1.806 1.00 0.00 C ATOM 525 C ALA A 158 -6.702 -4.227 0.680 1.00 0.00 C ATOM 526 O ALA A 158 -6.805 -5.315 0.115 1.00 0.00 O ATOM 527 CB ALA A 158 -4.370 -3.522 1.251 1.00 0.00 C ATOM 0 H ALA A 158 -5.499 -6.103 1.989 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.096 -3.275 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.536 -2.601 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.681 -3.328 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.943 -4.276 0.590 1.00 0.00 H new ATOM 533 N LEU A 159 -7.444 -3.172 0.361 1.00 0.00 N ATOM 534 CA LEU A 159 -8.446 -3.233 -0.700 1.00 0.00 C ATOM 535 C LEU A 159 -7.995 -2.438 -1.920 1.00 0.00 C ATOM 536 O LEU A 159 -7.955 -1.208 -1.891 1.00 0.00 O ATOM 537 CB LEU A 159 -9.787 -2.696 -0.192 1.00 0.00 C ATOM 538 CG LEU A 159 -11.023 -3.345 -0.814 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.954 -3.286 -2.331 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.162 -4.785 -0.341 1.00 0.00 C ATOM 0 H LEU A 159 -7.372 -2.264 0.821 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.567 -4.276 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.829 -2.832 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.826 -1.623 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.903 -2.788 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.843 -3.753 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.903 -2.246 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.066 -3.817 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.047 -5.233 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.278 -5.351 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.260 -4.804 0.744 1.00 0.00 H new ATOM 552 N VAL A 160 -7.657 -3.148 -2.991 1.00 0.00 N ATOM 553 CA VAL A 160 -7.209 -2.507 -4.223 1.00 0.00 C ATOM 554 C VAL A 160 -7.981 -3.031 -5.428 1.00 0.00 C ATOM 555 O VAL A 160 -7.685 -4.109 -5.946 1.00 0.00 O ATOM 556 CB VAL A 160 -5.703 -2.728 -4.456 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.208 -1.867 -5.607 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.917 -2.438 -3.186 1.00 0.00 C ATOM 0 H VAL A 160 -7.685 -4.167 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.398 -1.440 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.545 -3.773 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.142 -2.037 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.748 -2.130 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.379 -0.816 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.855 -2.600 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.080 -1.403 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.253 -3.103 -2.391 1.00 0.00 H new ATOM 568 N GLY A 161 -8.972 -2.264 -5.871 1.00 0.00 N ATOM 569 CA GLY A 161 -9.772 -2.669 -7.012 1.00 0.00 C ATOM 570 C GLY A 161 -11.030 -3.408 -6.604 1.00 0.00 C ATOM 571 O GLY A 161 -12.115 -3.137 -7.120 1.00 0.00 O ATOM 0 H GLY A 161 -9.235 -1.369 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.044 -1.787 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.174 -3.307 -7.663 1.00 0.00 H new ATOM 575 N GLY A 162 -10.886 -4.347 -5.674 1.00 0.00 N ATOM 576 CA GLY A 162 -12.026 -5.115 -5.211 1.00 0.00 C ATOM 577 C GLY A 162 -11.614 -6.349 -4.432 1.00 0.00 C ATOM 578 O GLY A 162 -12.333 -6.795 -3.539 1.00 0.00 O ATOM 0 H GLY A 162 -9.999 -4.589 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.654 -4.484 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.631 -5.414 -6.067 1.00 0.00 H new ATOM 582 N ILE A 163 -10.455 -6.902 -4.774 1.00 0.00 N ATOM 583 CA ILE A 163 -9.949 -8.091 -4.102 1.00 0.00 C ATOM 584 C ILE A 163 -8.913 -7.723 -3.045 1.00 0.00 C ATOM 585 O ILE A 163 -8.026 -6.903 -3.288 1.00 0.00 O ATOM 586 CB ILE A 163 -9.318 -9.077 -5.104 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.276 -9.341 -6.268 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.952 -10.379 -4.407 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.598 -9.337 -7.620 1.00 0.00 C ATOM 0 H ILE A 163 -9.849 -6.545 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.801 -8.571 -3.621 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.407 -8.632 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.762 -10.305 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -11.060 -8.584 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.507 -11.065 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.237 -10.176 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.849 -10.830 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.337 -9.531 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -9.136 -8.365 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.833 -10.113 -7.645 1.00 0.00 H new ATOM 601 N MET A 164 -9.029 -8.335 -1.871 1.00 0.00 N ATOM 602 CA MET A 164 -8.102 -8.071 -0.776 1.00 0.00 C ATOM 603 C MET A 164 -6.693 -8.533 -1.131 1.00 0.00 C ATOM 604 O MET A 164 -6.514 -9.526 -1.837 1.00 0.00 O ATOM 605 CB MET A 164 -8.576 -8.773 0.498 1.00 0.00 C ATOM 606 CG MET A 164 -9.799 -8.128 1.129 1.00 0.00 C ATOM 607 SD MET A 164 -9.630 -7.904 2.911 1.00 0.00 S ATOM 608 CE MET A 164 -10.222 -6.223 3.098 1.00 0.00 C ATOM 0 H MET A 164 -9.756 -9.017 -1.653 1.00 0.00 H new ATOM 0 HA MET A 164 -8.078 -6.995 -0.604 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.803 -9.814 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.763 -8.778 1.224 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.976 -7.160 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.675 -8.745 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.179 -5.937 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.596 -5.550 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.252 -6.159 2.746 1.00 0.00 H new ATOM 618 N GLN A 165 -5.695 -7.807 -0.636 1.00 0.00 N ATOM 619 CA GLN A 165 -4.301 -8.144 -0.900 1.00 0.00 C ATOM 620 C GLN A 165 -3.393 -7.607 0.201 1.00 0.00 C ATOM 621 O GLN A 165 -3.851 -6.936 1.126 1.00 0.00 O ATOM 622 CB GLN A 165 -3.866 -7.583 -2.254 1.00 0.00 C ATOM 623 CG GLN A 165 -4.257 -6.130 -2.467 1.00 0.00 C ATOM 624 CD GLN A 165 -4.257 -5.734 -3.929 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.502 -4.855 -4.347 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.106 -6.381 -4.718 1.00 0.00 N ATOM 0 H GLN A 165 -5.826 -6.982 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.214 -9.230 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.784 -7.676 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.306 -8.188 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.249 -5.960 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.566 -5.488 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.714 -7.103 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.151 -6.157 -5.712 1.00 0.00 H new ATOM 635 N ARG A 166 -2.102 -7.907 0.095 1.00 0.00 N ATOM 636 CA ARG A 166 -1.128 -7.455 1.082 1.00 0.00 C ATOM 637 C ARG A 166 0.130 -6.927 0.399 1.00 0.00 C ATOM 638 O ARG A 166 0.713 -7.597 -0.452 1.00 0.00 O ATOM 639 CB ARG A 166 -0.764 -8.597 2.032 1.00 0.00 C ATOM 640 CG ARG A 166 0.051 -8.151 3.236 1.00 0.00 C ATOM 641 CD ARG A 166 1.476 -8.677 3.173 1.00 0.00 C ATOM 642 NE ARG A 166 2.373 -7.931 4.052 1.00 0.00 N ATOM 643 CZ ARG A 166 2.355 -8.020 5.379 1.00 0.00 C ATOM 644 NH1 ARG A 166 1.487 -8.820 5.986 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.206 -7.307 6.104 1.00 0.00 N ATOM 0 H ARG A 166 -1.706 -8.461 -0.665 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.578 -6.645 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.680 -9.074 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -0.201 -9.351 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 166 0.066 -7.062 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.427 -8.503 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.487 -9.730 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.840 -8.616 2.147 1.00 0.00 H new ATOM 0 HE ARG A 166 3.054 -7.304 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 166 0.829 -9.371 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 166 1.478 -8.884 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.875 -6.690 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.191 -7.376 7.122 1.00 0.00 H new ATOM 659 N PHE A 167 0.539 -5.721 0.778 1.00 0.00 N ATOM 660 CA PHE A 167 1.729 -5.103 0.201 1.00 0.00 C ATOM 661 C PHE A 167 2.999 -5.724 0.770 1.00 0.00 C ATOM 662 O PHE A 167 3.167 -5.813 1.988 1.00 0.00 O ATOM 663 CB PHE A 167 1.724 -3.594 0.460 1.00 0.00 C ATOM 664 CG PHE A 167 2.812 -2.859 -0.268 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.651 -2.496 -1.594 1.00 0.00 C ATOM 666 CD2 PHE A 167 3.995 -2.531 0.375 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.650 -1.819 -2.268 1.00 0.00 C ATOM 668 CE2 PHE A 167 4.998 -1.853 -0.293 1.00 0.00 C ATOM 669 CZ PHE A 167 4.825 -1.498 -1.616 1.00 0.00 C ATOM 0 H PHE A 167 0.066 -5.153 1.480 1.00 0.00 H new ATOM 0 HA PHE A 167 1.712 -5.280 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.758 -3.185 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 167 1.829 -3.416 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.734 -2.745 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.135 -2.808 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.512 -1.541 -3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 167 5.915 -1.602 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.607 -0.970 -2.141 1.00 0.00 H new ATOM 679 N CYS A 168 3.893 -6.150 -0.116 1.00 0.00 N ATOM 680 CA CYS A 168 5.150 -6.761 0.298 1.00 0.00 C ATOM 681 C CYS A 168 6.220 -5.699 0.530 1.00 0.00 C ATOM 682 O CYS A 168 6.154 -4.606 -0.031 1.00 0.00 O ATOM 683 CB CYS A 168 5.627 -7.762 -0.756 1.00 0.00 C ATOM 684 SG CYS A 168 6.505 -9.189 -0.077 1.00 0.00 S ATOM 0 H CYS A 168 3.770 -6.083 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 168 4.977 -7.288 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.765 -8.115 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.281 -7.248 -1.460 1.00 0.00 H new ATOM 0 HG CYS A 168 6.866 -9.978 -1.045 1.00 0.00 H new ATOM 690 N GLN A 169 7.204 -6.028 1.360 1.00 0.00 N ATOM 691 CA GLN A 169 8.288 -5.101 1.666 1.00 0.00 C ATOM 692 C GLN A 169 9.523 -5.412 0.824 1.00 0.00 C ATOM 693 O GLN A 169 10.137 -4.512 0.252 1.00 0.00 O ATOM 694 CB GLN A 169 8.639 -5.167 3.153 1.00 0.00 C ATOM 695 CG GLN A 169 7.873 -4.166 4.004 1.00 0.00 C ATOM 696 CD GLN A 169 7.423 -4.749 5.328 1.00 0.00 C ATOM 697 OE1 GLN A 169 6.718 -5.757 5.369 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.827 -4.114 6.422 1.00 0.00 N ATOM 0 H GLN A 169 7.273 -6.929 1.833 1.00 0.00 H new ATOM 0 HA GLN A 169 7.951 -4.093 1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.438 -6.173 3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.708 -4.991 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.503 -3.296 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.002 -3.816 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 169 8.411 -3.282 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 169 7.553 -4.459 7.342 1.00 0.00 H new ATOM 707 N GLN A 170 9.880 -6.689 0.756 1.00 0.00 N ATOM 708 CA GLN A 170 11.043 -7.118 -0.017 1.00 0.00 C ATOM 709 C GLN A 170 10.824 -6.877 -1.506 1.00 0.00 C ATOM 710 O GLN A 170 11.620 -6.202 -2.159 1.00 0.00 O ATOM 711 CB GLN A 170 11.330 -8.599 0.236 1.00 0.00 C ATOM 712 CG GLN A 170 11.983 -8.872 1.581 1.00 0.00 C ATOM 713 CD GLN A 170 11.588 -10.217 2.157 1.00 0.00 C ATOM 714 OE1 GLN A 170 12.270 -11.221 1.944 1.00 0.00 O ATOM 715 NE2 GLN A 170 10.483 -10.246 2.892 1.00 0.00 N ATOM 0 H GLN A 170 9.383 -7.446 1.225 1.00 0.00 H new ATOM 0 HA GLN A 170 11.901 -6.529 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.396 -9.157 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.978 -8.975 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 170 13.067 -8.832 1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.706 -8.085 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 170 9.948 -9.391 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 170 10.169 -11.124 3.306 1.00 0.00 H new ATOM 724 N CYS A 171 9.741 -7.434 -2.039 1.00 0.00 N ATOM 725 CA CYS A 171 9.418 -7.282 -3.452 1.00 0.00 C ATOM 726 C CYS A 171 8.898 -5.877 -3.743 1.00 0.00 C ATOM 727 O CYS A 171 9.088 -5.349 -4.839 1.00 0.00 O ATOM 728 CB CYS A 171 8.376 -8.320 -3.874 1.00 0.00 C ATOM 729 SG CYS A 171 8.849 -10.028 -3.516 1.00 0.00 S ATOM 0 H CYS A 171 9.072 -7.995 -1.512 1.00 0.00 H new ATOM 0 HA CYS A 171 10.331 -7.439 -4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.435 -8.101 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 171 8.193 -8.221 -4.944 1.00 0.00 H new ATOM 0 HG CYS A 171 7.904 -10.831 -3.907 1.00 0.00 H new ATOM 735 N SER A 172 8.240 -5.277 -2.756 1.00 0.00 N ATOM 736 CA SER A 172 7.693 -3.934 -2.908 1.00 0.00 C ATOM 737 C SER A 172 6.642 -3.897 -4.013 1.00 0.00 C ATOM 738 O SER A 172 6.859 -3.313 -5.073 1.00 0.00 O ATOM 739 CB SER A 172 8.810 -2.935 -3.216 1.00 0.00 C ATOM 740 OG SER A 172 10.052 -3.384 -2.700 1.00 0.00 O ATOM 0 H SER A 172 8.073 -5.700 -1.843 1.00 0.00 H new ATOM 0 HA SER A 172 7.217 -3.655 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.890 -2.795 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.563 -1.964 -2.786 1.00 0.00 H new ATOM 0 HG SER A 172 10.183 -3.020 -1.800 1.00 0.00 H new ATOM 746 N ARG A 173 5.500 -4.529 -3.757 1.00 0.00 N ATOM 747 CA ARG A 173 4.414 -4.571 -4.728 1.00 0.00 C ATOM 748 C ARG A 173 3.183 -5.251 -4.138 1.00 0.00 C ATOM 749 O ARG A 173 3.300 -6.137 -3.291 1.00 0.00 O ATOM 750 CB ARG A 173 4.861 -5.307 -5.992 1.00 0.00 C ATOM 751 CG ARG A 173 3.797 -5.358 -7.076 1.00 0.00 C ATOM 752 CD ARG A 173 4.406 -5.246 -8.465 1.00 0.00 C ATOM 753 NE ARG A 173 3.694 -4.281 -9.299 1.00 0.00 N ATOM 754 CZ ARG A 173 2.517 -4.522 -9.871 1.00 0.00 C ATOM 755 NH1 ARG A 173 1.915 -5.692 -9.698 1.00 0.00 N ATOM 756 NH2 ARG A 173 1.940 -3.590 -10.619 1.00 0.00 N ATOM 0 H ARG A 173 5.304 -5.019 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 173 4.151 -3.545 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.751 -4.819 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 173 5.147 -6.325 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 173 3.240 -6.292 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.084 -4.548 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 173 5.451 -4.949 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.390 -6.223 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 173 4.124 -3.369 -9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 173 2.354 -6.412 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 173 1.013 -5.871 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 173 2.399 -2.689 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 173 1.038 -3.774 -11.058 1.00 0.00 H new ATOM 770 N PHE A 174 2.007 -4.832 -4.589 1.00 0.00 N ATOM 771 CA PHE A 174 0.756 -5.403 -4.104 1.00 0.00 C ATOM 772 C PHE A 174 0.540 -6.802 -4.671 1.00 0.00 C ATOM 773 O PHE A 174 0.945 -7.096 -5.796 1.00 0.00 O ATOM 774 CB PHE A 174 -0.421 -4.499 -4.478 1.00 0.00 C ATOM 775 CG PHE A 174 -0.805 -3.533 -3.395 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.026 -3.976 -2.100 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.945 -2.182 -3.670 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.380 -3.089 -1.101 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.299 -1.292 -2.676 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.518 -1.745 -1.389 1.00 0.00 C ATOM 0 H PHE A 174 1.893 -4.099 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 174 0.816 -5.477 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.167 -3.940 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.283 -5.121 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.920 -5.026 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.775 -1.821 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.549 -3.446 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.405 -0.242 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.796 -1.050 -0.610 1.00 0.00 H new ATOM 790 N HIS A 175 -0.100 -7.661 -3.885 1.00 0.00 N ATOM 791 CA HIS A 175 -0.369 -9.030 -4.307 1.00 0.00 C ATOM 792 C HIS A 175 -1.482 -9.648 -3.467 1.00 0.00 C ATOM 793 O HIS A 175 -1.520 -9.475 -2.249 1.00 0.00 O ATOM 794 CB HIS A 175 0.897 -9.879 -4.197 1.00 0.00 C ATOM 795 CG HIS A 175 1.885 -9.627 -5.296 1.00 0.00 C ATOM 796 ND1 HIS A 175 3.193 -9.263 -5.061 1.00 0.00 N ATOM 797 CD2 HIS A 175 1.748 -9.688 -6.641 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.819 -9.110 -6.215 1.00 0.00 C ATOM 799 NE2 HIS A 175 2.964 -9.363 -7.188 1.00 0.00 N ATOM 0 H HIS A 175 -0.442 -7.433 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.692 -9.005 -5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.375 -9.681 -3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.619 -10.933 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 175 0.850 -9.945 -7.183 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.854 -8.826 -6.340 1.00 0.00 H new ATOM 0 HE2 HIS A 175 3.173 -9.323 -8.186 1.00 0.00 H new ATOM 807 N VAL A 176 -2.384 -10.370 -4.123 1.00 0.00 N ATOM 808 CA VAL A 176 -3.500 -11.015 -3.434 1.00 0.00 C ATOM 809 C VAL A 176 -3.018 -11.792 -2.213 1.00 0.00 C ATOM 810 O VAL A 176 -1.914 -12.335 -2.206 1.00 0.00 O ATOM 811 CB VAL A 176 -4.259 -11.973 -4.371 1.00 0.00 C ATOM 812 CG1 VAL A 176 -5.025 -11.193 -5.428 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.298 -12.960 -5.017 1.00 0.00 C ATOM 0 H VAL A 176 -2.366 -10.524 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 176 -4.175 -10.221 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.979 -12.537 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.555 -11.888 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.743 -10.531 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -4.327 -10.600 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.852 -13.629 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.552 -12.416 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.800 -13.543 -4.242 1.00 0.00 H new ATOM 823 N LEU A 177 -3.851 -11.837 -1.179 1.00 0.00 N ATOM 824 CA LEU A 177 -3.505 -12.545 0.049 1.00 0.00 C ATOM 825 C LEU A 177 -4.084 -13.955 0.053 1.00 0.00 C ATOM 826 O LEU A 177 -4.534 -14.450 1.088 1.00 0.00 O ATOM 827 CB LEU A 177 -3.999 -11.768 1.271 1.00 0.00 C ATOM 828 CG LEU A 177 -5.504 -11.494 1.307 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.220 -12.560 2.121 1.00 0.00 C ATOM 830 CD2 LEU A 177 -5.777 -10.111 1.877 1.00 0.00 C ATOM 0 H LEU A 177 -4.769 -11.393 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.419 -12.624 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -3.726 -12.323 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -3.472 -10.815 1.313 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.887 -11.528 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -7.289 -12.349 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -6.049 -13.538 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.836 -12.558 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -6.852 -9.931 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -5.381 -10.051 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -5.294 -9.359 1.253 1.00 0.00 H new