USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 973 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 95 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 128 ASN : amide:sc= -0.383 K(o=-0.38,f=-4.7!) USER MOD Set 2.1: A 11 HIS : +bothHN:sc= 1.74 K(o=3.5,f=-9.5!) USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -0.0987! F(o=0.74,f=3.5!) USER MOD Set 2.3: A 123 TYR OH : rot 43:sc= 1.89 USER MOD Set 3.1: A 1 GLN N :NH3+ -113:sc= 0.346 (180deg=-0.259) USER MOD Set 3.2: A 2 ASN : amide:sc= -0.0487 K(o=0.3,f=-2) USER MOD Single : A 1 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 3 SER OG : rot -35:sc= 0.972 USER MOD Single : A 5 GLN : amide:sc= 0.933 K(o=0.93,f=-0.016) USER MOD Single : A 7 TYR OH : rot 149:sc= 0.0979 USER MOD Single : A 12 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1) USER MOD Single : A 17 GLN : amide:sc= 1.06 K(o=1.1,f=-0.079) USER MOD Single : A 23 MET CE :methyl 149:sc=-0.00426 (180deg=-0.0582) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.06) USER MOD Single : A 31 SER OG : rot -43:sc= 1.2 USER MOD Single : A 34 GLN : amide:sc= 0.283 K(o=0.28,f=-1.3) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.0494 USER MOD Single : A 38 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.22 K(o=1.2,f=-0.072) USER MOD Single : A 48 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 49 SER OG : rot 167:sc= 1.34 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.911 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 79 ASN : amide:sc= 0.434 K(o=0.43,f=-5.2!) USER MOD Single : A 80 TYR OH : rot 149:sc= 0.849 USER MOD Single : A 82 THR OG1 : rot 154:sc= 1.11 USER MOD Single : A 83 ASN : amide:sc= 2.07 K(o=2.1,f=-0.25) USER MOD Single : A 84 GLN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.0028) USER MOD Single : A 94 TYR OH : rot 87:sc= 0.863 USER MOD Single : A 96 GLN : amide:sc= -0.974 K(o=-0.97,f=-4.2!) USER MOD Single : A 101 ASN : amide:sc= 0.682 K(o=0.68,f=-0.51) USER MOD Single : A 102 SER OG : rot -66:sc= 0.653 USER MOD Single : A 113 ASN : amide:sc= 0.544 K(o=0.54,f=-1.4) USER MOD Single : A 114 ASN : amide:sc= -0.312 K(o=-0.31,f=-4.3!) USER MOD Single : A 120 SER OG : rot -30:sc= -0.261 USER MOD Single : A 122 ASN : amide:sc= -0.914 X(o=-0.91,f=-1.1) USER MOD Single : A 132 GLN : amide:sc= 0.318 K(o=0.32,f=-7.1!) USER MOD Single : A 135 TYR OH : rot 27:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.291 9.627 6.772 1.00 2.07 N ATOM 2 CA GLN A 1 -6.802 9.039 5.516 1.00 1.56 C ATOM 3 C GLN A 1 -5.354 8.583 5.693 1.00 1.50 C ATOM 4 O GLN A 1 -4.472 8.995 4.944 1.00 1.70 O ATOM 5 CB GLN A 1 -6.971 9.982 4.323 1.00 1.38 C ATOM 6 CG GLN A 1 -8.450 10.353 4.131 1.00 2.39 C ATOM 7 CD GLN A 1 -8.694 11.141 2.852 1.00 2.93 C ATOM 8 OE1 GLN A 1 -9.263 12.229 2.886 1.00 3.62 O ATOM 9 NE2 GLN A 1 -8.267 10.622 1.710 1.00 3.63 N ATOM 0 H1 GLN A 1 -8.035 9.021 7.173 1.00 2.07 H new ATOM 0 H2 GLN A 1 -6.505 9.704 7.449 1.00 2.07 H new ATOM 0 H3 GLN A 1 -7.680 10.573 6.584 1.00 2.07 H new ATOM 0 HA GLN A 1 -7.414 8.167 5.285 1.00 1.56 H new ATOM 0 HB2 GLN A 1 -6.382 10.885 4.480 1.00 1.38 H new ATOM 0 HB3 GLN A 1 -6.590 9.506 3.420 1.00 1.38 H new ATOM 0 HG2 GLN A 1 -9.050 9.443 4.113 1.00 2.39 H new ATOM 0 HG3 GLN A 1 -8.787 10.940 4.985 1.00 2.39 H new ATOM 0 HE21 GLN A 1 -7.797 9.717 1.705 1.00 3.63 H new ATOM 0 HE22 GLN A 1 -8.408 11.128 0.836 1.00 3.63 H new ATOM 20 N ASN A 2 -5.058 7.837 6.754 1.00 1.79 N ATOM 21 CA ASN A 2 -3.696 7.531 7.175 1.00 1.89 C ATOM 22 C ASN A 2 -3.750 6.252 7.992 1.00 1.82 C ATOM 23 O ASN A 2 -4.837 5.794 8.335 1.00 3.47 O ATOM 24 CB ASN A 2 -3.085 8.655 8.036 1.00 2.81 C ATOM 25 CG ASN A 2 -3.750 10.012 7.868 1.00 3.47 C ATOM 26 OD1 ASN A 2 -4.852 10.220 8.372 1.00 5.05 O ATOM 27 ND2 ASN A 2 -3.137 10.928 7.133 1.00 3.01 N ATOM 0 H ASN A 2 -5.770 7.422 7.354 1.00 1.79 H new ATOM 0 HA ASN A 2 -3.068 7.425 6.290 1.00 1.89 H new ATOM 0 HB2 ASN A 2 -3.143 8.364 9.085 1.00 2.81 H new ATOM 0 HB3 ASN A 2 -2.028 8.750 7.789 1.00 2.81 H new ATOM 0 HD21 ASN A 2 -3.579 11.833 6.973 1.00 3.01 H new ATOM 0 HD22 ASN A 2 -2.223 10.728 6.727 1.00 3.01 H new ATOM 34 N SER A 3 -2.593 5.733 8.396 1.00 1.18 N ATOM 35 CA SER A 3 -2.506 4.550 9.241 1.00 1.12 C ATOM 36 C SER A 3 -3.065 3.310 8.506 1.00 0.80 C ATOM 37 O SER A 3 -3.522 3.416 7.364 1.00 0.98 O ATOM 38 CB SER A 3 -3.002 4.900 10.663 1.00 1.88 C ATOM 39 OG SER A 3 -4.407 4.857 10.817 1.00 2.21 O ATOM 0 H SER A 3 -1.686 6.125 8.144 1.00 1.18 H new ATOM 0 HA SER A 3 -1.483 4.224 9.428 1.00 1.12 H new ATOM 0 HB2 SER A 3 -2.549 4.208 11.373 1.00 1.88 H new ATOM 0 HB3 SER A 3 -2.650 5.899 10.922 1.00 1.88 H new ATOM 0 HG SER A 3 -4.836 5.157 9.989 1.00 2.21 H new ATOM 45 N PRO A 4 -2.959 2.108 9.090 1.00 0.77 N ATOM 46 CA PRO A 4 -3.125 0.855 8.370 1.00 0.73 C ATOM 47 C PRO A 4 -4.530 0.760 7.787 1.00 0.52 C ATOM 48 O PRO A 4 -4.713 0.450 6.609 1.00 0.47 O ATOM 49 CB PRO A 4 -2.846 -0.239 9.403 1.00 0.99 C ATOM 50 CG PRO A 4 -3.086 0.412 10.760 1.00 1.10 C ATOM 51 CD PRO A 4 -2.756 1.882 10.506 1.00 1.01 C ATOM 0 HA PRO A 4 -2.449 0.764 7.519 1.00 0.73 H new ATOM 0 HB2 PRO A 4 -3.505 -1.095 9.256 1.00 0.99 H new ATOM 0 HB3 PRO A 4 -1.823 -0.606 9.319 1.00 0.99 H new ATOM 0 HG2 PRO A 4 -4.116 0.282 11.092 1.00 1.10 H new ATOM 0 HG3 PRO A 4 -2.446 -0.017 11.531 1.00 1.10 H new ATOM 0 HD2 PRO A 4 -3.399 2.532 11.099 1.00 1.01 H new ATOM 0 HD3 PRO A 4 -1.728 2.104 10.791 1.00 1.01 H new ATOM 59 N GLN A 5 -5.509 1.077 8.636 1.00 0.46 N ATOM 60 CA GLN A 5 -6.922 1.179 8.331 1.00 0.43 C ATOM 61 C GLN A 5 -7.209 1.745 6.947 1.00 0.36 C ATOM 62 O GLN A 5 -8.137 1.274 6.303 1.00 0.47 O ATOM 63 CB GLN A 5 -7.600 2.077 9.379 1.00 0.75 C ATOM 64 CG GLN A 5 -6.799 3.353 9.696 1.00 2.48 C ATOM 65 CD GLN A 5 -7.682 4.461 10.252 1.00 3.51 C ATOM 66 OE1 GLN A 5 -7.995 4.460 11.439 1.00 3.96 O ATOM 67 NE2 GLN A 5 -8.111 5.411 9.432 1.00 4.68 N ATOM 0 H GLN A 5 -5.315 1.281 9.616 1.00 0.46 H new ATOM 0 HA GLN A 5 -7.318 0.164 8.350 1.00 0.43 H new ATOM 0 HB2 GLN A 5 -8.591 2.358 9.021 1.00 0.75 H new ATOM 0 HB3 GLN A 5 -7.742 1.508 10.298 1.00 0.75 H new ATOM 0 HG2 GLN A 5 -6.015 3.119 10.417 1.00 2.48 H new ATOM 0 HG3 GLN A 5 -6.305 3.704 8.790 1.00 2.48 H new ATOM 0 HE21 GLN A 5 -7.841 5.396 8.449 1.00 4.68 H new ATOM 0 HE22 GLN A 5 -8.711 6.157 9.785 1.00 4.68 H new ATOM 76 N ASP A 6 -6.500 2.782 6.508 1.00 0.41 N ATOM 77 CA ASP A 6 -6.908 3.508 5.318 1.00 0.49 C ATOM 78 C ASP A 6 -6.458 2.778 4.068 1.00 0.43 C ATOM 79 O ASP A 6 -7.223 2.664 3.110 1.00 0.54 O ATOM 80 CB ASP A 6 -6.419 4.955 5.366 1.00 0.74 C ATOM 81 CG ASP A 6 -7.523 5.835 5.904 1.00 1.25 C ATOM 82 OD1 ASP A 6 -8.520 5.987 5.174 1.00 2.59 O ATOM 83 OD2 ASP A 6 -7.348 6.437 6.984 1.00 1.63 O ATOM 0 H ASP A 6 -5.652 3.132 6.954 1.00 0.41 H new ATOM 0 HA ASP A 6 -7.997 3.550 5.286 1.00 0.49 H new ATOM 0 HB2 ASP A 6 -5.535 5.032 5.999 1.00 0.74 H new ATOM 0 HB3 ASP A 6 -6.127 5.286 4.369 1.00 0.74 H new ATOM 88 N TYR A 7 -5.239 2.235 4.074 1.00 0.36 N ATOM 89 CA TYR A 7 -4.858 1.343 2.996 1.00 0.38 C ATOM 90 C TYR A 7 -5.839 0.167 3.003 1.00 0.36 C ATOM 91 O TYR A 7 -6.457 -0.142 1.982 1.00 0.37 O ATOM 92 CB TYR A 7 -3.405 0.867 3.129 1.00 0.41 C ATOM 93 CG TYR A 7 -2.335 1.943 3.040 1.00 0.54 C ATOM 94 CD1 TYR A 7 -1.981 2.652 4.200 1.00 2.01 C ATOM 95 CD2 TYR A 7 -1.519 2.048 1.895 1.00 1.91 C ATOM 96 CE1 TYR A 7 -0.791 3.394 4.243 1.00 2.34 C ATOM 97 CE2 TYR A 7 -0.296 2.740 1.961 1.00 2.11 C ATOM 98 CZ TYR A 7 0.080 3.400 3.145 1.00 1.60 C ATOM 99 OH TYR A 7 1.330 3.930 3.307 1.00 2.31 O ATOM 0 H TYR A 7 -4.528 2.393 4.788 1.00 0.36 H new ATOM 0 HA TYR A 7 -4.908 1.871 2.044 1.00 0.38 H new ATOM 0 HB2 TYR A 7 -3.298 0.356 4.086 1.00 0.41 H new ATOM 0 HB3 TYR A 7 -3.214 0.129 2.350 1.00 0.41 H new ATOM 0 HD1 TYR A 7 -2.629 2.626 5.064 1.00 2.01 H new ATOM 0 HD2 TYR A 7 -1.833 1.596 0.966 1.00 1.91 H new ATOM 0 HE1 TYR A 7 -0.545 3.964 5.127 1.00 2.34 H new ATOM 0 HE2 TYR A 7 0.356 2.765 1.100 1.00 2.11 H new ATOM 0 HH TYR A 7 1.961 3.466 2.718 1.00 2.31 H new ATOM 109 N LEU A 8 -6.004 -0.457 4.171 1.00 0.33 N ATOM 110 CA LEU A 8 -6.928 -1.562 4.382 1.00 0.33 C ATOM 111 C LEU A 8 -8.331 -1.236 3.869 1.00 0.36 C ATOM 112 O LEU A 8 -8.963 -2.084 3.253 1.00 0.39 O ATOM 113 CB LEU A 8 -6.945 -1.960 5.870 1.00 0.40 C ATOM 114 CG LEU A 8 -5.849 -2.982 6.223 1.00 0.45 C ATOM 115 CD1 LEU A 8 -5.828 -3.220 7.735 1.00 0.57 C ATOM 116 CD2 LEU A 8 -6.067 -4.347 5.555 1.00 0.54 C ATOM 0 H LEU A 8 -5.486 -0.199 5.011 1.00 0.33 H new ATOM 0 HA LEU A 8 -6.577 -2.415 3.802 1.00 0.33 H new ATOM 0 HB2 LEU A 8 -6.815 -1.068 6.482 1.00 0.40 H new ATOM 0 HB3 LEU A 8 -7.920 -2.378 6.119 1.00 0.40 H new ATOM 0 HG LEU A 8 -4.912 -2.557 5.862 1.00 0.45 H new ATOM 0 HD11 LEU A 8 -5.050 -3.944 7.979 1.00 0.57 H new ATOM 0 HD12 LEU A 8 -5.623 -2.281 8.248 1.00 0.57 H new ATOM 0 HD13 LEU A 8 -6.796 -3.605 8.056 1.00 0.57 H new ATOM 0 HD21 LEU A 8 -5.263 -5.025 5.841 1.00 0.54 H new ATOM 0 HD22 LEU A 8 -7.023 -4.761 5.877 1.00 0.54 H new ATOM 0 HD23 LEU A 8 -6.071 -4.226 4.472 1.00 0.54 H new ATOM 128 N ALA A 9 -8.825 -0.022 4.094 1.00 0.43 N ATOM 129 CA ALA A 9 -10.162 0.381 3.695 1.00 0.47 C ATOM 130 C ALA A 9 -10.308 0.231 2.189 1.00 0.39 C ATOM 131 O ALA A 9 -11.198 -0.471 1.716 1.00 0.40 O ATOM 132 CB ALA A 9 -10.441 1.828 4.113 1.00 0.60 C ATOM 0 H ALA A 9 -8.299 0.715 4.564 1.00 0.43 H new ATOM 0 HA ALA A 9 -10.887 -0.261 4.195 1.00 0.47 H new ATOM 0 HB1 ALA A 9 -11.448 2.108 3.804 1.00 0.60 H new ATOM 0 HB2 ALA A 9 -10.356 1.917 5.196 1.00 0.60 H new ATOM 0 HB3 ALA A 9 -9.718 2.490 3.637 1.00 0.60 H new ATOM 138 N VAL A 10 -9.431 0.888 1.435 1.00 0.37 N ATOM 139 CA VAL A 10 -9.533 0.901 -0.015 1.00 0.35 C ATOM 140 C VAL A 10 -9.304 -0.513 -0.562 1.00 0.31 C ATOM 141 O VAL A 10 -9.987 -0.927 -1.496 1.00 0.32 O ATOM 142 CB VAL A 10 -8.571 1.943 -0.603 1.00 0.37 C ATOM 143 CG1 VAL A 10 -8.741 2.074 -2.123 1.00 0.41 C ATOM 144 CG2 VAL A 10 -8.810 3.332 -0.004 1.00 0.41 C ATOM 0 H VAL A 10 -8.643 1.417 1.807 1.00 0.37 H new ATOM 0 HA VAL A 10 -10.536 1.200 -0.320 1.00 0.35 H new ATOM 0 HB VAL A 10 -7.568 1.591 -0.361 1.00 0.37 H new ATOM 0 HG11 VAL A 10 -8.044 2.820 -2.504 1.00 0.41 H new ATOM 0 HG12 VAL A 10 -8.538 1.113 -2.596 1.00 0.41 H new ATOM 0 HG13 VAL A 10 -9.762 2.382 -2.350 1.00 0.41 H new ATOM 0 HG21 VAL A 10 -8.111 4.043 -0.444 1.00 0.41 H new ATOM 0 HG22 VAL A 10 -9.831 3.649 -0.216 1.00 0.41 H new ATOM 0 HG23 VAL A 10 -8.658 3.294 1.075 1.00 0.41 H new ATOM 154 N HIS A 11 -8.369 -1.273 0.023 1.00 0.27 N ATOM 155 CA HIS A 11 -8.201 -2.675 -0.349 1.00 0.25 C ATOM 156 C HIS A 11 -9.519 -3.421 -0.164 1.00 0.30 C ATOM 157 O HIS A 11 -10.018 -4.046 -1.090 1.00 0.39 O ATOM 158 CB HIS A 11 -7.095 -3.355 0.468 1.00 0.28 C ATOM 159 CG HIS A 11 -5.705 -2.966 0.045 1.00 0.30 C ATOM 160 ND1 HIS A 11 -5.152 -1.715 0.151 1.00 0.34 N ATOM 161 CD2 HIS A 11 -4.770 -3.782 -0.532 1.00 0.40 C ATOM 162 CE1 HIS A 11 -3.912 -1.772 -0.355 1.00 0.44 C ATOM 163 NE2 HIS A 11 -3.639 -3.006 -0.803 1.00 0.49 N ATOM 0 H HIS A 11 -7.728 -0.943 0.745 1.00 0.27 H new ATOM 0 HA HIS A 11 -7.903 -2.707 -1.397 1.00 0.25 H new ATOM 0 HB2 HIS A 11 -7.228 -3.106 1.521 1.00 0.28 H new ATOM 0 HB3 HIS A 11 -7.203 -4.436 0.380 1.00 0.28 H new ATOM 0 HD1 HIS A 11 -5.604 -0.889 0.544 1.00 0.34 H new ATOM 0 HD2 HIS A 11 -4.885 -4.835 -0.740 1.00 0.40 H new ATOM 0 HE1 HIS A 11 -3.227 -0.938 -0.396 1.00 0.44 H new ATOM 0 HE2 HIS A 11 -2.778 -3.317 -1.252 1.00 0.49 H new ATOM 171 N ASN A 12 -10.086 -3.352 1.035 1.00 0.34 N ATOM 172 CA ASN A 12 -11.318 -4.040 1.391 1.00 0.43 C ATOM 173 C ASN A 12 -12.470 -3.570 0.501 1.00 0.47 C ATOM 174 O ASN A 12 -13.369 -4.355 0.209 1.00 0.61 O ATOM 175 CB ASN A 12 -11.641 -3.846 2.881 1.00 0.53 C ATOM 176 CG ASN A 12 -10.661 -4.561 3.815 1.00 0.69 C ATOM 177 OD1 ASN A 12 -9.946 -5.483 3.425 1.00 1.34 O ATOM 178 ND2 ASN A 12 -10.610 -4.150 5.078 1.00 0.94 N ATOM 0 H ASN A 12 -9.693 -2.805 1.801 1.00 0.34 H new ATOM 0 HA ASN A 12 -11.180 -5.108 1.222 1.00 0.43 H new ATOM 0 HB2 ASN A 12 -11.637 -2.780 3.110 1.00 0.53 H new ATOM 0 HB3 ASN A 12 -12.649 -4.211 3.077 1.00 0.53 H new ATOM 0 HD21 ASN A 12 -9.973 -4.600 5.735 1.00 0.94 H new ATOM 0 HD22 ASN A 12 -11.208 -3.385 5.390 1.00 0.94 H new ATOM 185 N ASP A 13 -12.449 -2.308 0.058 1.00 0.47 N ATOM 186 CA ASP A 13 -13.396 -1.764 -0.913 1.00 0.51 C ATOM 187 C ASP A 13 -13.260 -2.494 -2.245 1.00 0.48 C ATOM 188 O ASP A 13 -14.179 -3.168 -2.692 1.00 0.49 O ATOM 189 CB ASP A 13 -13.202 -0.249 -1.085 1.00 0.55 C ATOM 190 CG ASP A 13 -14.510 0.503 -1.122 1.00 0.67 C ATOM 191 OD1 ASP A 13 -15.191 0.485 -2.168 1.00 1.86 O ATOM 192 OD2 ASP A 13 -14.854 1.097 -0.076 1.00 1.75 O ATOM 0 H ASP A 13 -11.759 -1.626 0.372 1.00 0.47 H new ATOM 0 HA ASP A 13 -14.407 -1.922 -0.537 1.00 0.51 H new ATOM 0 HB2 ASP A 13 -12.592 0.131 -0.265 1.00 0.55 H new ATOM 0 HB3 ASP A 13 -12.652 -0.059 -2.007 1.00 0.55 H new ATOM 197 N ALA A 14 -12.089 -2.393 -2.870 1.00 0.44 N ATOM 198 CA ALA A 14 -11.798 -3.074 -4.125 1.00 0.38 C ATOM 199 C ALA A 14 -12.181 -4.552 -4.032 1.00 0.39 C ATOM 200 O ALA A 14 -12.849 -5.107 -4.900 1.00 0.50 O ATOM 201 CB ALA A 14 -10.305 -2.919 -4.427 1.00 0.38 C ATOM 0 H ALA A 14 -11.313 -1.833 -2.517 1.00 0.44 H new ATOM 0 HA ALA A 14 -12.382 -2.631 -4.932 1.00 0.38 H new ATOM 0 HB1 ALA A 14 -10.069 -3.423 -5.364 1.00 0.38 H new ATOM 0 HB2 ALA A 14 -10.059 -1.861 -4.513 1.00 0.38 H new ATOM 0 HB3 ALA A 14 -9.722 -3.363 -3.620 1.00 0.38 H new ATOM 207 N ARG A 15 -11.768 -5.197 -2.950 1.00 0.39 N ATOM 208 CA ARG A 15 -12.067 -6.590 -2.700 1.00 0.47 C ATOM 209 C ARG A 15 -13.578 -6.798 -2.591 1.00 0.56 C ATOM 210 O ARG A 15 -14.094 -7.728 -3.202 1.00 0.60 O ATOM 211 CB ARG A 15 -11.237 -7.088 -1.508 1.00 0.47 C ATOM 212 CG ARG A 15 -9.768 -7.114 -1.953 1.00 0.48 C ATOM 213 CD ARG A 15 -8.766 -7.520 -0.868 1.00 0.69 C ATOM 214 NE ARG A 15 -8.319 -8.906 -1.053 1.00 1.12 N ATOM 215 CZ ARG A 15 -7.656 -9.619 -0.142 1.00 1.81 C ATOM 216 NH1 ARG A 15 -7.949 -9.451 1.135 1.00 2.72 N ATOM 217 NH2 ARG A 15 -6.711 -10.473 -0.507 1.00 2.66 N ATOM 0 H ARG A 15 -11.211 -4.759 -2.217 1.00 0.39 H new ATOM 0 HA ARG A 15 -11.767 -7.216 -3.540 1.00 0.47 H new ATOM 0 HB2 ARG A 15 -11.366 -6.430 -0.648 1.00 0.47 H new ATOM 0 HB3 ARG A 15 -11.563 -8.082 -1.201 1.00 0.47 H new ATOM 0 HG2 ARG A 15 -9.671 -7.804 -2.791 1.00 0.48 H new ATOM 0 HG3 ARG A 15 -9.499 -6.124 -2.322 1.00 0.48 H new ATOM 0 HD2 ARG A 15 -7.906 -6.851 -0.894 1.00 0.69 H new ATOM 0 HD3 ARG A 15 -9.225 -7.411 0.115 1.00 0.69 H new ATOM 0 HE ARG A 15 -8.531 -9.356 -1.943 1.00 1.12 H new ATOM 0 HH11 ARG A 15 -8.671 -8.785 1.409 1.00 2.72 H new ATOM 0 HH12 ARG A 15 -7.453 -9.987 1.847 1.00 2.72 H new ATOM 0 HH21 ARG A 15 -6.484 -10.591 -1.494 1.00 2.66 H new ATOM 0 HH22 ARG A 15 -6.211 -11.013 0.199 1.00 2.66 H new ATOM 231 N ALA A 16 -14.309 -5.918 -1.903 1.00 0.63 N ATOM 232 CA ALA A 16 -15.767 -5.938 -1.926 1.00 0.76 C ATOM 233 C ALA A 16 -16.277 -5.936 -3.367 1.00 0.68 C ATOM 234 O ALA A 16 -17.128 -6.748 -3.725 1.00 0.73 O ATOM 235 CB ALA A 16 -16.361 -4.759 -1.147 1.00 0.95 C ATOM 0 H ALA A 16 -13.910 -5.181 -1.322 1.00 0.63 H new ATOM 0 HA ALA A 16 -16.093 -6.855 -1.436 1.00 0.76 H new ATOM 0 HB1 ALA A 16 -17.449 -4.808 -1.187 1.00 0.95 H new ATOM 0 HB2 ALA A 16 -16.033 -4.807 -0.109 1.00 0.95 H new ATOM 0 HB3 ALA A 16 -16.023 -3.823 -1.591 1.00 0.95 H new ATOM 241 N GLN A 17 -15.751 -5.051 -4.213 1.00 0.63 N ATOM 242 CA GLN A 17 -16.194 -4.927 -5.595 1.00 0.65 C ATOM 243 C GLN A 17 -16.065 -6.223 -6.404 1.00 0.64 C ATOM 244 O GLN A 17 -16.814 -6.396 -7.368 1.00 0.93 O ATOM 245 CB GLN A 17 -15.502 -3.765 -6.316 1.00 0.71 C ATOM 246 CG GLN A 17 -16.205 -2.426 -6.098 1.00 1.27 C ATOM 247 CD GLN A 17 -16.013 -1.847 -4.707 1.00 1.43 C ATOM 248 OE1 GLN A 17 -16.767 -2.177 -3.797 1.00 3.26 O ATOM 249 NE2 GLN A 17 -15.074 -0.927 -4.544 1.00 1.55 N ATOM 0 H GLN A 17 -15.007 -4.402 -3.957 1.00 0.63 H new ATOM 0 HA GLN A 17 -17.260 -4.708 -5.532 1.00 0.65 H new ATOM 0 HB2 GLN A 17 -14.472 -3.690 -5.967 1.00 0.71 H new ATOM 0 HB3 GLN A 17 -15.462 -3.979 -7.384 1.00 0.71 H new ATOM 0 HG2 GLN A 17 -15.836 -1.710 -6.833 1.00 1.27 H new ATOM 0 HG3 GLN A 17 -17.272 -2.553 -6.284 1.00 1.27 H new ATOM 0 HE21 GLN A 17 -14.464 -0.677 -5.323 1.00 1.55 H new ATOM 0 HE22 GLN A 17 -14.961 -0.469 -3.640 1.00 1.55 H new ATOM 258 N VAL A 18 -15.139 -7.117 -6.055 1.00 0.47 N ATOM 259 CA VAL A 18 -15.017 -8.425 -6.697 1.00 0.49 C ATOM 260 C VAL A 18 -15.359 -9.568 -5.731 1.00 0.55 C ATOM 261 O VAL A 18 -15.036 -10.723 -5.998 1.00 0.77 O ATOM 262 CB VAL A 18 -13.628 -8.584 -7.337 1.00 0.51 C ATOM 263 CG1 VAL A 18 -13.526 -7.741 -8.609 1.00 0.66 C ATOM 264 CG2 VAL A 18 -12.508 -8.153 -6.392 1.00 0.50 C ATOM 0 H VAL A 18 -14.452 -6.954 -5.319 1.00 0.47 H new ATOM 0 HA VAL A 18 -15.752 -8.482 -7.500 1.00 0.49 H new ATOM 0 HB VAL A 18 -13.511 -9.643 -7.567 1.00 0.51 H new ATOM 0 HG11 VAL A 18 -12.537 -7.865 -9.049 1.00 0.66 H new ATOM 0 HG12 VAL A 18 -14.284 -8.065 -9.322 1.00 0.66 H new ATOM 0 HG13 VAL A 18 -13.685 -6.691 -8.363 1.00 0.66 H new ATOM 0 HG21 VAL A 18 -11.545 -8.283 -6.886 1.00 0.50 H new ATOM 0 HG22 VAL A 18 -12.641 -7.105 -6.125 1.00 0.50 H new ATOM 0 HG23 VAL A 18 -12.538 -8.764 -5.490 1.00 0.50 H new ATOM 274 N GLY A 19 -16.027 -9.268 -4.618 1.00 0.59 N ATOM 275 CA GLY A 19 -16.429 -10.264 -3.643 1.00 0.71 C ATOM 276 C GLY A 19 -15.263 -11.148 -3.192 1.00 0.76 C ATOM 277 O GLY A 19 -15.422 -12.361 -3.030 1.00 1.02 O ATOM 0 H GLY A 19 -16.304 -8.318 -4.372 1.00 0.59 H new ATOM 0 HA2 GLY A 19 -16.859 -9.765 -2.775 1.00 0.71 H new ATOM 0 HA3 GLY A 19 -17.212 -10.891 -4.070 1.00 0.71 H new ATOM 281 N VAL A 20 -14.101 -10.539 -2.964 1.00 0.66 N ATOM 282 CA VAL A 20 -12.924 -11.153 -2.372 1.00 0.73 C ATOM 283 C VAL A 20 -12.951 -10.837 -0.868 1.00 0.84 C ATOM 284 O VAL A 20 -13.452 -9.781 -0.469 1.00 0.88 O ATOM 285 CB VAL A 20 -11.664 -10.595 -3.063 1.00 0.68 C ATOM 286 CG1 VAL A 20 -10.398 -11.162 -2.428 1.00 0.80 C ATOM 287 CG2 VAL A 20 -11.592 -10.927 -4.559 1.00 0.65 C ATOM 0 H VAL A 20 -13.952 -9.558 -3.200 1.00 0.66 H new ATOM 0 HA VAL A 20 -12.913 -12.235 -2.506 1.00 0.73 H new ATOM 0 HB VAL A 20 -11.732 -9.514 -2.937 1.00 0.68 H new ATOM 0 HG11 VAL A 20 -9.523 -10.753 -2.933 1.00 0.80 H new ATOM 0 HG12 VAL A 20 -10.367 -10.891 -1.373 1.00 0.80 H new ATOM 0 HG13 VAL A 20 -10.398 -12.248 -2.524 1.00 0.80 H new ATOM 0 HG21 VAL A 20 -10.681 -10.504 -4.982 1.00 0.65 H new ATOM 0 HG22 VAL A 20 -11.586 -12.009 -4.692 1.00 0.65 H new ATOM 0 HG23 VAL A 20 -12.458 -10.504 -5.068 1.00 0.65 H new ATOM 297 N GLY A 21 -12.459 -11.742 -0.021 1.00 0.98 N ATOM 298 CA GLY A 21 -12.384 -11.515 1.419 1.00 1.11 C ATOM 299 C GLY A 21 -11.313 -10.476 1.776 1.00 0.93 C ATOM 300 O GLY A 21 -10.477 -10.144 0.933 1.00 0.85 O ATOM 0 H GLY A 21 -12.102 -12.651 -0.315 1.00 0.98 H new ATOM 0 HA2 GLY A 21 -13.354 -11.178 1.785 1.00 1.11 H new ATOM 0 HA3 GLY A 21 -12.162 -12.455 1.924 1.00 1.11 H new ATOM 304 N PRO A 22 -11.319 -9.940 3.004 1.00 0.97 N ATOM 305 CA PRO A 22 -10.430 -8.858 3.412 1.00 0.88 C ATOM 306 C PRO A 22 -9.062 -9.389 3.862 1.00 0.87 C ATOM 307 O PRO A 22 -8.664 -10.504 3.516 1.00 1.00 O ATOM 308 CB PRO A 22 -11.198 -8.151 4.538 1.00 1.15 C ATOM 309 CG PRO A 22 -11.949 -9.305 5.200 1.00 1.36 C ATOM 310 CD PRO A 22 -12.349 -10.165 4.003 1.00 1.27 C ATOM 0 HA PRO A 22 -10.192 -8.174 2.598 1.00 0.88 H new ATOM 0 HB2 PRO A 22 -10.526 -7.651 5.236 1.00 1.15 H new ATOM 0 HB3 PRO A 22 -11.879 -7.393 4.151 1.00 1.15 H new ATOM 0 HG2 PRO A 22 -11.318 -9.852 5.900 1.00 1.36 H new ATOM 0 HG3 PRO A 22 -12.818 -8.957 5.759 1.00 1.36 H new ATOM 0 HD2 PRO A 22 -12.406 -11.218 4.278 1.00 1.27 H new ATOM 0 HD3 PRO A 22 -13.331 -9.880 3.626 1.00 1.27 H new ATOM 318 N MET A 23 -8.275 -8.563 4.548 1.00 0.80 N ATOM 319 CA MET A 23 -6.879 -8.816 4.883 1.00 0.70 C ATOM 320 C MET A 23 -6.561 -8.196 6.243 1.00 0.64 C ATOM 321 O MET A 23 -7.285 -7.309 6.702 1.00 0.80 O ATOM 322 CB MET A 23 -5.957 -8.234 3.798 1.00 0.74 C ATOM 323 CG MET A 23 -6.550 -7.016 3.071 1.00 0.86 C ATOM 324 SD MET A 23 -5.405 -6.090 2.025 1.00 1.21 S ATOM 325 CE MET A 23 -4.680 -7.388 1.000 1.00 1.00 C ATOM 0 H MET A 23 -8.607 -7.665 4.899 1.00 0.80 H new ATOM 0 HA MET A 23 -6.710 -9.892 4.934 1.00 0.70 H new ATOM 0 HB2 MET A 23 -5.009 -7.948 4.254 1.00 0.74 H new ATOM 0 HB3 MET A 23 -5.736 -9.011 3.066 1.00 0.74 H new ATOM 0 HG2 MET A 23 -7.383 -7.355 2.455 1.00 0.86 H new ATOM 0 HG3 MET A 23 -6.962 -6.336 3.817 1.00 0.86 H new ATOM 0 HE1 MET A 23 -4.423 -6.979 0.023 1.00 1.00 H new ATOM 0 HE2 MET A 23 -3.780 -7.771 1.481 1.00 1.00 H new ATOM 0 HE3 MET A 23 -5.399 -8.198 0.877 1.00 1.00 H new ATOM 335 N SER A 24 -5.466 -8.639 6.858 1.00 0.63 N ATOM 336 CA SER A 24 -4.903 -8.035 8.051 1.00 0.64 C ATOM 337 C SER A 24 -3.821 -7.033 7.689 1.00 0.41 C ATOM 338 O SER A 24 -3.366 -6.964 6.547 1.00 0.53 O ATOM 339 CB SER A 24 -4.401 -9.121 9.021 1.00 1.10 C ATOM 340 OG SER A 24 -2.998 -9.279 9.019 1.00 1.26 O ATOM 0 H SER A 24 -4.938 -9.447 6.528 1.00 0.63 H new ATOM 0 HA SER A 24 -5.685 -7.480 8.569 1.00 0.64 H new ATOM 0 HB2 SER A 24 -4.728 -8.873 10.031 1.00 1.10 H new ATOM 0 HB3 SER A 24 -4.865 -10.072 8.760 1.00 1.10 H new ATOM 0 HG SER A 24 -2.747 -9.980 9.656 1.00 1.26 H new ATOM 346 N TRP A 25 -3.404 -6.280 8.702 1.00 0.38 N ATOM 347 CA TRP A 25 -2.155 -5.551 8.641 1.00 0.36 C ATOM 348 C TRP A 25 -1.067 -6.506 9.109 1.00 0.40 C ATOM 349 O TRP A 25 -1.190 -7.081 10.194 1.00 0.82 O ATOM 350 CB TRP A 25 -2.169 -4.323 9.551 1.00 0.41 C ATOM 351 CG TRP A 25 -1.127 -3.325 9.172 1.00 0.43 C ATOM 352 CD1 TRP A 25 -0.068 -2.921 9.909 1.00 0.49 C ATOM 353 CD2 TRP A 25 -1.067 -2.572 7.933 1.00 0.45 C ATOM 354 NE1 TRP A 25 0.608 -1.930 9.224 1.00 0.54 N ATOM 355 CE2 TRP A 25 0.012 -1.647 8.010 1.00 0.49 C ATOM 356 CE3 TRP A 25 -1.871 -2.535 6.779 1.00 0.47 C ATOM 357 CZ2 TRP A 25 0.233 -0.682 7.016 1.00 0.52 C ATOM 358 CZ3 TRP A 25 -1.625 -1.612 5.757 1.00 0.52 C ATOM 359 CH2 TRP A 25 -0.618 -0.643 5.896 1.00 0.52 C ATOM 0 H TRP A 25 -3.919 -6.163 9.575 1.00 0.38 H new ATOM 0 HA TRP A 25 -1.986 -5.198 7.624 1.00 0.36 H new ATOM 0 HB2 TRP A 25 -3.152 -3.853 9.508 1.00 0.41 H new ATOM 0 HB3 TRP A 25 -2.010 -4.636 10.583 1.00 0.41 H new ATOM 0 HD1 TRP A 25 0.206 -3.311 10.878 1.00 0.49 H new ATOM 0 HE1 TRP A 25 1.446 -1.464 9.572 1.00 0.54 H new ATOM 0 HE3 TRP A 25 -2.691 -3.230 6.681 1.00 0.47 H new ATOM 0 HZ2 TRP A 25 1.046 0.022 7.109 1.00 0.52 H new ATOM 0 HZ3 TRP A 25 -2.215 -1.645 4.853 1.00 0.52 H new ATOM 0 HH2 TRP A 25 -0.498 0.127 5.148 1.00 0.52 H new ATOM 370 N ASP A 26 0.007 -6.643 8.344 1.00 0.57 N ATOM 371 CA ASP A 26 1.212 -7.319 8.775 1.00 0.62 C ATOM 372 C ASP A 26 2.247 -6.253 9.108 1.00 0.76 C ATOM 373 O ASP A 26 2.676 -5.473 8.252 1.00 1.33 O ATOM 374 CB ASP A 26 1.710 -8.259 7.690 1.00 0.68 C ATOM 375 CG ASP A 26 2.907 -9.025 8.191 1.00 1.69 C ATOM 376 OD1 ASP A 26 3.964 -8.394 8.381 1.00 2.72 O ATOM 377 OD2 ASP A 26 2.751 -10.229 8.474 1.00 2.93 O ATOM 0 H ASP A 26 0.061 -6.280 7.392 1.00 0.57 H new ATOM 0 HA ASP A 26 1.017 -7.929 9.657 1.00 0.62 H new ATOM 0 HB2 ASP A 26 0.918 -8.951 7.403 1.00 0.68 H new ATOM 0 HB3 ASP A 26 1.977 -7.692 6.798 1.00 0.68 H new ATOM 382 N ALA A 27 2.622 -6.187 10.381 1.00 0.62 N ATOM 383 CA ALA A 27 3.542 -5.178 10.858 1.00 0.67 C ATOM 384 C ALA A 27 4.922 -5.336 10.219 1.00 0.63 C ATOM 385 O ALA A 27 5.645 -4.347 10.104 1.00 0.59 O ATOM 386 CB ALA A 27 3.647 -5.277 12.377 1.00 0.81 C ATOM 0 H ALA A 27 2.295 -6.830 11.102 1.00 0.62 H new ATOM 0 HA ALA A 27 3.162 -4.196 10.577 1.00 0.67 H new ATOM 0 HB1 ALA A 27 4.339 -4.519 12.744 1.00 0.81 H new ATOM 0 HB2 ALA A 27 2.664 -5.117 12.821 1.00 0.81 H new ATOM 0 HB3 ALA A 27 4.013 -6.266 12.653 1.00 0.81 H new ATOM 392 N ASN A 28 5.309 -6.553 9.843 1.00 0.69 N ATOM 393 CA ASN A 28 6.633 -6.856 9.319 1.00 0.69 C ATOM 394 C ASN A 28 6.705 -6.329 7.896 1.00 0.63 C ATOM 395 O ASN A 28 7.656 -5.651 7.511 1.00 0.65 O ATOM 396 CB ASN A 28 6.920 -8.369 9.312 1.00 0.78 C ATOM 397 CG ASN A 28 6.433 -9.107 10.552 1.00 1.16 C ATOM 398 OD1 ASN A 28 7.181 -9.300 11.507 1.00 1.56 O ATOM 399 ND2 ASN A 28 5.181 -9.539 10.557 1.00 2.39 N ATOM 0 H ASN A 28 4.698 -7.368 9.896 1.00 0.69 H new ATOM 0 HA ASN A 28 7.378 -6.385 9.960 1.00 0.69 H new ATOM 0 HB2 ASN A 28 6.451 -8.811 8.433 1.00 0.78 H new ATOM 0 HB3 ASN A 28 7.994 -8.522 9.211 1.00 0.78 H new ATOM 0 HD21 ASN A 28 4.819 -10.044 11.366 1.00 2.39 H new ATOM 0 HD22 ASN A 28 4.579 -9.367 9.752 1.00 2.39 H new ATOM 406 N LEU A 29 5.687 -6.611 7.089 1.00 0.59 N ATOM 407 CA LEU A 29 5.603 -6.023 5.770 1.00 0.53 C ATOM 408 C LEU A 29 5.647 -4.507 5.895 1.00 0.42 C ATOM 409 O LEU A 29 6.384 -3.850 5.168 1.00 0.39 O ATOM 410 CB LEU A 29 4.299 -6.447 5.093 1.00 0.53 C ATOM 411 CG LEU A 29 4.159 -7.932 4.757 1.00 0.67 C ATOM 412 CD1 LEU A 29 2.776 -8.110 4.123 1.00 1.09 C ATOM 413 CD2 LEU A 29 5.208 -8.411 3.752 1.00 0.56 C ATOM 0 H LEU A 29 4.919 -7.238 7.328 1.00 0.59 H new ATOM 0 HA LEU A 29 6.443 -6.366 5.165 1.00 0.53 H new ATOM 0 HB2 LEU A 29 3.470 -6.164 5.741 1.00 0.53 H new ATOM 0 HB3 LEU A 29 4.192 -5.876 4.170 1.00 0.53 H new ATOM 0 HG LEU A 29 4.294 -8.513 5.669 1.00 0.67 H new ATOM 0 HD11 LEU A 29 2.627 -9.158 3.864 1.00 1.09 H new ATOM 0 HD12 LEU A 29 2.008 -7.798 4.831 1.00 1.09 H new ATOM 0 HD13 LEU A 29 2.708 -7.500 3.222 1.00 1.09 H new ATOM 0 HD21 LEU A 29 5.061 -9.472 3.550 1.00 0.56 H new ATOM 0 HD22 LEU A 29 5.107 -7.848 2.824 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.205 -8.255 4.164 1.00 0.56 H new ATOM 425 N ALA A 30 4.882 -3.944 6.828 1.00 0.42 N ATOM 426 CA ALA A 30 4.860 -2.505 7.013 1.00 0.39 C ATOM 427 C ALA A 30 6.249 -1.967 7.378 1.00 0.39 C ATOM 428 O ALA A 30 6.687 -0.953 6.831 1.00 0.36 O ATOM 429 CB ALA A 30 3.798 -2.141 8.046 1.00 0.44 C ATOM 0 H ALA A 30 4.274 -4.464 7.462 1.00 0.42 H new ATOM 0 HA ALA A 30 4.592 -2.024 6.072 1.00 0.39 H new ATOM 0 HB1 ALA A 30 3.781 -1.060 8.185 1.00 0.44 H new ATOM 0 HB2 ALA A 30 2.821 -2.477 7.698 1.00 0.44 H new ATOM 0 HB3 ALA A 30 4.032 -2.625 8.994 1.00 0.44 H new ATOM 435 N SER A 31 6.952 -2.638 8.294 1.00 0.48 N ATOM 436 CA SER A 31 8.270 -2.234 8.734 1.00 0.50 C ATOM 437 C SER A 31 9.223 -2.205 7.537 1.00 0.46 C ATOM 438 O SER A 31 9.908 -1.209 7.291 1.00 0.49 O ATOM 439 CB SER A 31 8.719 -3.177 9.863 1.00 0.63 C ATOM 440 OG SER A 31 9.086 -4.466 9.418 1.00 1.06 O ATOM 0 H SER A 31 6.610 -3.484 8.750 1.00 0.48 H new ATOM 0 HA SER A 31 8.266 -1.223 9.142 1.00 0.50 H new ATOM 0 HB2 SER A 31 9.565 -2.728 10.383 1.00 0.63 H new ATOM 0 HB3 SER A 31 7.911 -3.270 10.589 1.00 0.63 H new ATOM 0 HG SER A 31 8.437 -4.780 8.755 1.00 1.06 H new ATOM 446 N ARG A 32 9.230 -3.294 6.767 1.00 0.48 N ATOM 447 CA ARG A 32 10.067 -3.441 5.591 1.00 0.56 C ATOM 448 C ARG A 32 9.711 -2.373 4.562 1.00 0.45 C ATOM 449 O ARG A 32 10.611 -1.763 3.994 1.00 0.49 O ATOM 450 CB ARG A 32 9.839 -4.843 5.018 1.00 0.72 C ATOM 451 CG ARG A 32 10.759 -5.211 3.867 1.00 0.97 C ATOM 452 CD ARG A 32 10.134 -6.382 3.106 1.00 2.01 C ATOM 453 NE ARG A 32 11.017 -6.945 2.072 1.00 3.08 N ATOM 454 CZ ARG A 32 11.900 -7.931 2.296 1.00 3.55 C ATOM 455 NH1 ARG A 32 12.162 -8.297 3.549 1.00 3.40 N ATOM 456 NH2 ARG A 32 12.504 -8.551 1.287 1.00 4.75 N ATOM 0 H ARG A 32 8.643 -4.107 6.952 1.00 0.48 H new ATOM 0 HA ARG A 32 11.118 -3.316 5.852 1.00 0.56 H new ATOM 0 HB2 ARG A 32 9.968 -5.573 5.817 1.00 0.72 H new ATOM 0 HB3 ARG A 32 8.806 -4.920 4.679 1.00 0.72 H new ATOM 0 HG2 ARG A 32 10.897 -4.357 3.203 1.00 0.97 H new ATOM 0 HG3 ARG A 32 11.745 -5.485 4.242 1.00 0.97 H new ATOM 0 HD2 ARG A 32 9.870 -7.167 3.815 1.00 2.01 H new ATOM 0 HD3 ARG A 32 9.207 -6.049 2.640 1.00 2.01 H new ATOM 0 HE ARG A 32 10.954 -6.563 1.128 1.00 3.08 H new ATOM 0 HH11 ARG A 32 11.694 -7.830 4.325 1.00 3.40 H new ATOM 0 HH12 ARG A 32 12.831 -9.045 3.733 1.00 3.40 H new ATOM 0 HH21 ARG A 32 12.299 -8.279 0.325 1.00 4.75 H new ATOM 0 HH22 ARG A 32 13.172 -9.298 1.474 1.00 4.75 H new ATOM 470 N ALA A 33 8.420 -2.161 4.310 1.00 0.37 N ATOM 471 CA ALA A 33 7.923 -1.232 3.309 1.00 0.36 C ATOM 472 C ALA A 33 8.413 0.175 3.621 1.00 0.39 C ATOM 473 O ALA A 33 8.962 0.852 2.750 1.00 0.44 O ATOM 474 CB ALA A 33 6.393 -1.269 3.261 1.00 0.36 C ATOM 0 H ALA A 33 7.676 -2.645 4.812 1.00 0.37 H new ATOM 0 HA ALA A 33 8.303 -1.528 2.331 1.00 0.36 H new ATOM 0 HB1 ALA A 33 6.036 -0.568 2.507 1.00 0.36 H new ATOM 0 HB2 ALA A 33 6.061 -2.276 3.007 1.00 0.36 H new ATOM 0 HB3 ALA A 33 5.992 -0.990 4.235 1.00 0.36 H new ATOM 480 N GLN A 34 8.218 0.623 4.863 1.00 0.42 N ATOM 481 CA GLN A 34 8.751 1.904 5.288 1.00 0.49 C ATOM 482 C GLN A 34 10.263 1.899 5.077 1.00 0.50 C ATOM 483 O GLN A 34 10.801 2.793 4.442 1.00 0.60 O ATOM 484 CB GLN A 34 8.342 2.212 6.738 1.00 0.65 C ATOM 485 CG GLN A 34 8.953 3.521 7.265 1.00 0.99 C ATOM 486 CD GLN A 34 8.692 4.715 6.349 1.00 1.30 C ATOM 487 OE1 GLN A 34 9.477 5.030 5.466 1.00 3.10 O ATOM 488 NE2 GLN A 34 7.596 5.431 6.528 1.00 1.43 N ATOM 0 H GLN A 34 7.699 0.118 5.581 1.00 0.42 H new ATOM 0 HA GLN A 34 8.331 2.710 4.686 1.00 0.49 H new ATOM 0 HB2 GLN A 34 7.255 2.273 6.799 1.00 0.65 H new ATOM 0 HB3 GLN A 34 8.651 1.388 7.381 1.00 0.65 H new ATOM 0 HG2 GLN A 34 8.546 3.733 8.254 1.00 0.99 H new ATOM 0 HG3 GLN A 34 10.029 3.391 7.385 1.00 0.99 H new ATOM 0 HE21 GLN A 34 6.935 5.177 7.262 1.00 1.43 H new ATOM 0 HE22 GLN A 34 7.411 6.238 5.932 1.00 1.43 H new ATOM 497 N ASN A 35 10.966 0.888 5.570 1.00 0.50 N ATOM 498 CA ASN A 35 12.420 0.861 5.471 1.00 0.59 C ATOM 499 C ASN A 35 12.910 0.897 4.016 1.00 0.57 C ATOM 500 O ASN A 35 13.900 1.563 3.717 1.00 0.65 O ATOM 501 CB ASN A 35 12.981 -0.304 6.294 1.00 0.75 C ATOM 502 CG ASN A 35 13.167 0.142 7.745 1.00 1.12 C ATOM 503 OD1 ASN A 35 12.297 0.802 8.309 1.00 2.05 O ATOM 504 ND2 ASN A 35 14.294 -0.164 8.374 1.00 2.10 N ATOM 0 H ASN A 35 10.557 0.080 6.040 1.00 0.50 H new ATOM 0 HA ASN A 35 12.818 1.777 5.908 1.00 0.59 H new ATOM 0 HB2 ASN A 35 12.303 -1.156 6.248 1.00 0.75 H new ATOM 0 HB3 ASN A 35 13.934 -0.632 5.878 1.00 0.75 H new ATOM 0 HD21 ASN A 35 14.444 0.149 9.333 1.00 2.10 H new ATOM 0 HD22 ASN A 35 15.011 -0.712 7.898 1.00 2.10 H new ATOM 511 N TYR A 36 12.205 0.239 3.095 1.00 0.60 N ATOM 512 CA TYR A 36 12.473 0.329 1.667 1.00 0.69 C ATOM 513 C TYR A 36 12.276 1.773 1.218 1.00 0.66 C ATOM 514 O TYR A 36 13.166 2.342 0.596 1.00 0.75 O ATOM 515 CB TYR A 36 11.571 -0.640 0.880 1.00 0.77 C ATOM 516 CG TYR A 36 11.694 -0.576 -0.640 1.00 0.94 C ATOM 517 CD1 TYR A 36 10.981 0.396 -1.368 1.00 2.31 C ATOM 518 CD2 TYR A 36 12.421 -1.558 -1.341 1.00 1.66 C ATOM 519 CE1 TYR A 36 11.003 0.401 -2.774 1.00 2.63 C ATOM 520 CE2 TYR A 36 12.428 -1.560 -2.749 1.00 1.76 C ATOM 521 CZ TYR A 36 11.731 -0.575 -3.467 1.00 1.72 C ATOM 522 OH TYR A 36 11.785 -0.538 -4.831 1.00 2.18 O ATOM 0 H TYR A 36 11.425 -0.376 3.326 1.00 0.60 H new ATOM 0 HA TYR A 36 13.503 0.036 1.466 1.00 0.69 H new ATOM 0 HB2 TYR A 36 11.795 -1.657 1.201 1.00 0.77 H new ATOM 0 HB3 TYR A 36 10.534 -0.442 1.150 1.00 0.77 H new ATOM 0 HD1 TYR A 36 10.411 1.146 -0.840 1.00 2.31 H new ATOM 0 HD2 TYR A 36 12.974 -2.310 -0.798 1.00 1.66 H new ATOM 0 HE1 TYR A 36 10.459 1.157 -3.320 1.00 2.63 H new ATOM 0 HE2 TYR A 36 12.974 -2.325 -3.281 1.00 1.76 H new ATOM 0 HH TYR A 36 12.331 -1.284 -5.157 1.00 2.18 H new ATOM 532 N ALA A 37 11.116 2.364 1.516 1.00 0.59 N ATOM 533 CA ALA A 37 10.805 3.735 1.132 1.00 0.63 C ATOM 534 C ALA A 37 11.923 4.670 1.610 1.00 0.63 C ATOM 535 O ALA A 37 12.589 5.328 0.813 1.00 0.70 O ATOM 536 CB ALA A 37 9.434 4.132 1.701 1.00 0.63 C ATOM 0 H ALA A 37 10.368 1.901 2.031 1.00 0.59 H new ATOM 0 HA ALA A 37 10.748 3.819 0.047 1.00 0.63 H new ATOM 0 HB1 ALA A 37 9.204 5.158 1.413 1.00 0.63 H new ATOM 0 HB2 ALA A 37 8.669 3.463 1.306 1.00 0.63 H new ATOM 0 HB3 ALA A 37 9.456 4.057 2.788 1.00 0.63 H new ATOM 542 N ASN A 38 12.143 4.674 2.923 1.00 0.63 N ATOM 543 CA ASN A 38 13.196 5.387 3.630 1.00 0.61 C ATOM 544 C ASN A 38 14.515 5.290 2.885 1.00 0.68 C ATOM 545 O ASN A 38 15.116 6.311 2.554 1.00 0.76 O ATOM 546 CB ASN A 38 13.430 4.779 5.013 1.00 0.57 C ATOM 547 CG ASN A 38 12.516 5.262 6.124 1.00 0.77 C ATOM 548 OD1 ASN A 38 11.900 6.323 6.052 1.00 1.40 O ATOM 549 ND2 ASN A 38 12.453 4.495 7.203 1.00 1.38 N ATOM 0 H ASN A 38 11.549 4.143 3.560 1.00 0.63 H new ATOM 0 HA ASN A 38 12.871 6.424 3.709 1.00 0.61 H new ATOM 0 HB2 ASN A 38 13.328 3.697 4.932 1.00 0.57 H new ATOM 0 HB3 ASN A 38 14.460 4.981 5.306 1.00 0.57 H new ATOM 0 HD21 ASN A 38 11.883 4.781 7.999 1.00 1.38 H new ATOM 0 HD22 ASN A 38 12.974 3.619 7.237 1.00 1.38 H new ATOM 556 N SER A 39 15.005 4.064 2.706 1.00 0.70 N ATOM 557 CA SER A 39 16.334 3.826 2.177 1.00 0.80 C ATOM 558 C SER A 39 16.387 4.288 0.724 1.00 0.87 C ATOM 559 O SER A 39 17.316 4.979 0.309 1.00 1.18 O ATOM 560 CB SER A 39 16.683 2.341 2.333 1.00 0.92 C ATOM 561 OG SER A 39 18.023 2.102 1.949 1.00 2.48 O ATOM 0 H SER A 39 14.487 3.213 2.925 1.00 0.70 H new ATOM 0 HA SER A 39 17.079 4.397 2.731 1.00 0.80 H new ATOM 0 HB2 SER A 39 16.535 2.034 3.368 1.00 0.92 H new ATOM 0 HB3 SER A 39 16.011 1.738 1.723 1.00 0.92 H new ATOM 0 HG SER A 39 18.229 1.150 2.056 1.00 2.48 H new ATOM 567 N ARG A 40 15.362 3.960 -0.060 1.00 0.84 N ATOM 568 CA ARG A 40 15.389 4.164 -1.484 1.00 1.08 C ATOM 569 C ARG A 40 15.247 5.657 -1.764 1.00 1.16 C ATOM 570 O ARG A 40 15.689 6.106 -2.816 1.00 1.80 O ATOM 571 CB ARG A 40 14.247 3.340 -2.094 1.00 1.29 C ATOM 572 CG ARG A 40 14.262 3.306 -3.621 1.00 1.78 C ATOM 573 CD ARG A 40 15.446 2.550 -4.253 1.00 1.71 C ATOM 574 NE ARG A 40 15.306 1.089 -4.132 1.00 2.47 N ATOM 575 CZ ARG A 40 15.740 0.313 -3.125 1.00 3.72 C ATOM 576 NH1 ARG A 40 16.436 0.825 -2.111 1.00 4.31 N ATOM 577 NH2 ARG A 40 15.440 -0.981 -3.142 1.00 5.41 N ATOM 0 H ARG A 40 14.496 3.547 0.286 1.00 0.84 H new ATOM 0 HA ARG A 40 16.327 3.835 -1.932 1.00 1.08 H new ATOM 0 HB2 ARG A 40 14.305 2.319 -1.716 1.00 1.29 H new ATOM 0 HB3 ARG A 40 13.295 3.750 -1.758 1.00 1.29 H new ATOM 0 HG2 ARG A 40 13.335 2.849 -3.967 1.00 1.78 H new ATOM 0 HG3 ARG A 40 14.269 4.331 -3.990 1.00 1.78 H new ATOM 0 HD2 ARG A 40 15.525 2.819 -5.306 1.00 1.71 H new ATOM 0 HD3 ARG A 40 16.373 2.865 -3.773 1.00 1.71 H new ATOM 0 HE ARG A 40 14.827 0.614 -4.897 1.00 2.47 H new ATOM 0 HH11 ARG A 40 16.648 1.823 -2.090 1.00 4.31 H new ATOM 0 HH12 ARG A 40 16.757 0.219 -1.356 1.00 4.31 H new ATOM 0 HH21 ARG A 40 14.890 -1.367 -3.910 1.00 5.41 H new ATOM 0 HH22 ARG A 40 15.759 -1.589 -2.387 1.00 5.41 H new ATOM 591 N ALA A 41 14.704 6.434 -0.818 1.00 1.30 N ATOM 592 CA ALA A 41 14.579 7.885 -0.894 1.00 1.26 C ATOM 593 C ALA A 41 15.840 8.615 -1.358 1.00 1.21 C ATOM 594 O ALA A 41 15.753 9.762 -1.804 1.00 1.90 O ATOM 595 CB ALA A 41 14.120 8.457 0.446 1.00 1.43 C ATOM 0 H ALA A 41 14.328 6.051 0.049 1.00 1.30 H new ATOM 0 HA ALA A 41 13.828 8.061 -1.664 1.00 1.26 H new ATOM 0 HB1 ALA A 41 14.033 9.541 0.368 1.00 1.43 H new ATOM 0 HB2 ALA A 41 13.151 8.033 0.710 1.00 1.43 H new ATOM 0 HB3 ALA A 41 14.848 8.206 1.217 1.00 1.43 H new ATOM 601 N GLY A 42 17.007 7.988 -1.224 1.00 1.40 N ATOM 602 CA GLY A 42 18.241 8.484 -1.798 1.00 1.62 C ATOM 603 C GLY A 42 18.094 8.846 -3.278 1.00 1.37 C ATOM 604 O GLY A 42 18.506 9.932 -3.685 1.00 1.67 O ATOM 0 H GLY A 42 17.116 7.115 -0.708 1.00 1.40 H new ATOM 0 HA2 GLY A 42 18.569 9.363 -1.243 1.00 1.62 H new ATOM 0 HA3 GLY A 42 19.019 7.729 -1.687 1.00 1.62 H new ATOM 608 N ASP A 43 17.493 7.965 -4.081 1.00 1.14 N ATOM 609 CA ASP A 43 17.143 8.267 -5.473 1.00 1.33 C ATOM 610 C ASP A 43 15.632 8.379 -5.596 1.00 1.50 C ATOM 611 O ASP A 43 15.105 9.349 -6.124 1.00 2.52 O ATOM 612 CB ASP A 43 17.665 7.203 -6.443 1.00 1.69 C ATOM 613 CG ASP A 43 17.340 7.640 -7.858 1.00 3.06 C ATOM 614 OD1 ASP A 43 17.849 8.700 -8.271 1.00 4.47 O ATOM 615 OD2 ASP A 43 16.572 6.944 -8.560 1.00 3.61 O ATOM 0 H ASP A 43 17.235 7.023 -3.786 1.00 1.14 H new ATOM 0 HA ASP A 43 17.616 9.211 -5.741 1.00 1.33 H new ATOM 0 HB2 ASP A 43 18.741 7.077 -6.323 1.00 1.69 H new ATOM 0 HB3 ASP A 43 17.205 6.238 -6.230 1.00 1.69 H new ATOM 620 N CYS A 44 14.954 7.383 -5.033 1.00 1.12 N ATOM 621 CA CYS A 44 13.515 7.296 -4.835 1.00 1.16 C ATOM 622 C CYS A 44 12.807 6.889 -6.113 1.00 1.12 C ATOM 623 O CYS A 44 11.810 7.474 -6.532 1.00 1.83 O ATOM 624 CB CYS A 44 12.937 8.559 -4.218 1.00 1.46 C ATOM 625 SG CYS A 44 11.342 8.196 -3.462 1.00 1.69 S ATOM 0 H CYS A 44 15.434 6.556 -4.678 1.00 1.12 H new ATOM 0 HA CYS A 44 13.335 6.505 -4.107 1.00 1.16 H new ATOM 0 HB2 CYS A 44 13.623 8.955 -3.469 1.00 1.46 H new ATOM 0 HB3 CYS A 44 12.821 9.328 -4.982 1.00 1.46 H new ATOM 630 N ASN A 45 13.360 5.862 -6.748 1.00 1.32 N ATOM 631 CA ASN A 45 12.926 5.388 -8.047 1.00 1.63 C ATOM 632 C ASN A 45 11.798 4.383 -7.862 1.00 1.48 C ATOM 633 O ASN A 45 11.916 3.503 -7.007 1.00 2.24 O ATOM 634 CB ASN A 45 14.117 4.728 -8.747 1.00 2.17 C ATOM 635 CG ASN A 45 14.097 5.073 -10.225 1.00 3.13 C ATOM 636 OD1 ASN A 45 13.311 4.518 -10.989 1.00 4.20 O ATOM 637 ND2 ASN A 45 14.944 6.012 -10.624 1.00 3.65 N ATOM 0 H ASN A 45 14.138 5.328 -6.362 1.00 1.32 H new ATOM 0 HA ASN A 45 12.562 6.216 -8.655 1.00 1.63 H new ATOM 0 HB2 ASN A 45 15.050 5.068 -8.297 1.00 2.17 H new ATOM 0 HB3 ASN A 45 14.075 3.647 -8.615 1.00 2.17 H new ATOM 0 HD21 ASN A 45 14.961 6.301 -11.602 1.00 3.65 H new ATOM 0 HD22 ASN A 45 15.579 6.445 -9.953 1.00 3.65 H new ATOM 644 N LEU A 46 10.715 4.462 -8.636 1.00 1.32 N ATOM 645 CA LEU A 46 9.596 3.533 -8.509 1.00 1.17 C ATOM 646 C LEU A 46 9.956 2.193 -9.160 1.00 1.31 C ATOM 647 O LEU A 46 9.310 1.786 -10.127 1.00 1.63 O ATOM 648 CB LEU A 46 8.330 4.125 -9.154 1.00 1.35 C ATOM 649 CG LEU A 46 7.787 5.386 -8.469 1.00 1.24 C ATOM 650 CD1 LEU A 46 6.809 6.075 -9.426 1.00 1.66 C ATOM 651 CD2 LEU A 46 7.030 5.032 -7.182 1.00 1.22 C ATOM 0 H LEU A 46 10.591 5.167 -9.363 1.00 1.32 H new ATOM 0 HA LEU A 46 9.393 3.366 -7.451 1.00 1.17 H new ATOM 0 HB2 LEU A 46 8.546 4.360 -10.196 1.00 1.35 H new ATOM 0 HB3 LEU A 46 7.550 3.364 -9.154 1.00 1.35 H new ATOM 0 HG LEU A 46 8.625 6.036 -8.218 1.00 1.24 H new ATOM 0 HD11 LEU A 46 6.412 6.975 -8.955 1.00 1.66 H new ATOM 0 HD12 LEU A 46 7.329 6.345 -10.345 1.00 1.66 H new ATOM 0 HD13 LEU A 46 5.989 5.396 -9.659 1.00 1.66 H new ATOM 0 HD21 LEU A 46 6.656 5.944 -6.717 1.00 1.22 H new ATOM 0 HD22 LEU A 46 6.192 4.377 -7.421 1.00 1.22 H new ATOM 0 HD23 LEU A 46 7.703 4.523 -6.492 1.00 1.22 H new ATOM 663 N ILE A 47 10.955 1.483 -8.632 1.00 1.31 N ATOM 664 CA ILE A 47 11.496 0.285 -9.264 1.00 1.54 C ATOM 665 C ILE A 47 10.630 -0.913 -8.893 1.00 1.89 C ATOM 666 O ILE A 47 10.121 -1.571 -9.792 1.00 3.60 O ATOM 667 CB ILE A 47 12.981 0.098 -8.881 1.00 1.64 C ATOM 668 CG1 ILE A 47 13.829 1.033 -9.759 1.00 1.83 C ATOM 669 CG2 ILE A 47 13.461 -1.350 -9.072 1.00 1.87 C ATOM 670 CD1 ILE A 47 15.252 1.231 -9.222 1.00 2.68 C ATOM 0 H ILE A 47 11.410 1.726 -7.752 1.00 1.31 H new ATOM 0 HA ILE A 47 11.470 0.386 -10.349 1.00 1.54 H new ATOM 0 HB ILE A 47 13.090 0.337 -7.823 1.00 1.64 H new ATOM 0 HG12 ILE A 47 13.881 0.626 -10.769 1.00 1.83 H new ATOM 0 HG13 ILE A 47 13.335 2.002 -9.831 1.00 1.83 H new ATOM 0 HG21 ILE A 47 14.511 -1.426 -8.788 1.00 1.87 H new ATOM 0 HG22 ILE A 47 12.867 -2.016 -8.446 1.00 1.87 H new ATOM 0 HG23 ILE A 47 13.346 -1.637 -10.117 1.00 1.87 H new ATOM 0 HD11 ILE A 47 15.801 1.900 -9.884 1.00 2.68 H new ATOM 0 HD12 ILE A 47 15.207 1.665 -8.223 1.00 2.68 H new ATOM 0 HD13 ILE A 47 15.761 0.268 -9.176 1.00 2.68 H new ATOM 682 N HIS A 48 10.455 -1.182 -7.595 1.00 1.45 N ATOM 683 CA HIS A 48 9.811 -2.367 -7.025 1.00 1.66 C ATOM 684 C HIS A 48 10.536 -3.672 -7.376 1.00 1.76 C ATOM 685 O HIS A 48 10.965 -3.884 -8.509 1.00 2.74 O ATOM 686 CB HIS A 48 8.281 -2.447 -7.277 1.00 2.50 C ATOM 687 CG HIS A 48 7.810 -2.673 -8.695 1.00 3.84 C ATOM 688 ND1 HIS A 48 7.200 -1.760 -9.538 1.00 5.30 N ATOM 689 CD2 HIS A 48 8.074 -3.785 -9.429 1.00 4.93 C ATOM 690 CE1 HIS A 48 7.136 -2.312 -10.765 1.00 6.58 C ATOM 691 NE2 HIS A 48 7.650 -3.551 -10.717 1.00 6.41 N ATOM 0 H HIS A 48 10.779 -0.539 -6.872 1.00 1.45 H new ATOM 0 HA HIS A 48 9.912 -2.238 -5.947 1.00 1.66 H new ATOM 0 HB2 HIS A 48 7.882 -3.252 -6.660 1.00 2.50 H new ATOM 0 HB3 HIS A 48 7.834 -1.519 -6.920 1.00 2.50 H new ATOM 0 HD2 HIS A 48 8.535 -4.692 -9.066 1.00 4.93 H new ATOM 0 HE1 HIS A 48 6.735 -1.834 -11.647 1.00 6.58 H new ATOM 0 HE2 HIS A 48 7.715 -4.204 -11.498 1.00 6.41 H new ATOM 700 N SER A 49 10.610 -4.572 -6.397 1.00 1.96 N ATOM 701 CA SER A 49 10.838 -5.997 -6.596 1.00 2.58 C ATOM 702 C SER A 49 9.766 -6.499 -7.560 1.00 2.55 C ATOM 703 O SER A 49 10.034 -7.044 -8.632 1.00 3.56 O ATOM 704 CB SER A 49 10.673 -6.668 -5.222 1.00 3.98 C ATOM 705 OG SER A 49 9.669 -5.964 -4.498 1.00 4.43 O ATOM 0 H SER A 49 10.509 -4.319 -5.414 1.00 1.96 H new ATOM 0 HA SER A 49 11.825 -6.215 -7.003 1.00 2.58 H new ATOM 0 HB2 SER A 49 10.392 -7.714 -5.342 1.00 3.98 H new ATOM 0 HB3 SER A 49 11.616 -6.652 -4.676 1.00 3.98 H new ATOM 0 HG SER A 49 9.402 -6.489 -3.715 1.00 4.43 H new ATOM 711 N GLY A 50 8.526 -6.243 -7.158 1.00 2.38 N ATOM 712 CA GLY A 50 7.329 -6.806 -7.743 1.00 3.30 C ATOM 713 C GLY A 50 6.952 -7.953 -6.825 1.00 2.31 C ATOM 714 O GLY A 50 7.213 -7.840 -5.629 1.00 3.05 O ATOM 0 H GLY A 50 8.326 -5.611 -6.383 1.00 2.38 H new ATOM 0 HA2 GLY A 50 6.531 -6.066 -7.800 1.00 3.30 H new ATOM 0 HA3 GLY A 50 7.512 -7.156 -8.759 1.00 3.30 H new ATOM 718 N ALA A 51 6.396 -9.034 -7.375 1.00 2.10 N ATOM 719 CA ALA A 51 6.135 -10.287 -6.679 1.00 1.63 C ATOM 720 C ALA A 51 5.674 -10.023 -5.250 1.00 1.41 C ATOM 721 O ALA A 51 6.371 -10.354 -4.295 1.00 2.35 O ATOM 722 CB ALA A 51 7.383 -11.174 -6.732 1.00 1.93 C ATOM 0 H ALA A 51 6.106 -9.058 -8.353 1.00 2.10 H new ATOM 0 HA ALA A 51 5.325 -10.819 -7.177 1.00 1.63 H new ATOM 0 HB1 ALA A 51 7.186 -12.111 -6.211 1.00 1.93 H new ATOM 0 HB2 ALA A 51 7.637 -11.383 -7.771 1.00 1.93 H new ATOM 0 HB3 ALA A 51 8.215 -10.660 -6.252 1.00 1.93 H new ATOM 728 N GLY A 52 4.519 -9.382 -5.105 1.00 1.24 N ATOM 729 CA GLY A 52 4.064 -8.863 -3.830 1.00 0.80 C ATOM 730 C GLY A 52 3.923 -7.345 -3.931 1.00 0.82 C ATOM 731 O GLY A 52 2.833 -6.810 -3.770 1.00 1.96 O ATOM 0 H GLY A 52 3.873 -9.210 -5.875 1.00 1.24 H new ATOM 0 HA2 GLY A 52 3.108 -9.312 -3.560 1.00 0.80 H new ATOM 0 HA3 GLY A 52 4.772 -9.124 -3.043 1.00 0.80 H new ATOM 735 N GLU A 53 4.989 -6.627 -4.280 1.00 0.77 N ATOM 736 CA GLU A 53 5.048 -5.206 -3.956 1.00 0.76 C ATOM 737 C GLU A 53 4.320 -4.340 -4.988 1.00 0.80 C ATOM 738 O GLU A 53 4.098 -4.753 -6.130 1.00 0.98 O ATOM 739 CB GLU A 53 6.519 -4.770 -3.857 1.00 0.89 C ATOM 740 CG GLU A 53 7.155 -5.123 -2.507 1.00 1.50 C ATOM 741 CD GLU A 53 7.274 -6.610 -2.243 1.00 3.13 C ATOM 742 OE1 GLU A 53 6.288 -7.226 -1.795 1.00 4.47 O ATOM 743 OE2 GLU A 53 8.388 -7.138 -2.442 1.00 3.87 O ATOM 0 H GLU A 53 5.802 -6.994 -4.774 1.00 0.77 H new ATOM 0 HA GLU A 53 4.542 -5.062 -3.001 1.00 0.76 H new ATOM 0 HB2 GLU A 53 7.088 -5.244 -4.656 1.00 0.89 H new ATOM 0 HB3 GLU A 53 6.585 -3.693 -4.014 1.00 0.89 H new ATOM 0 HG2 GLU A 53 8.148 -4.677 -2.459 1.00 1.50 H new ATOM 0 HG3 GLU A 53 6.564 -4.671 -1.711 1.00 1.50 H new ATOM 750 N ASN A 54 3.998 -3.104 -4.606 1.00 0.82 N ATOM 751 CA ASN A 54 3.618 -2.009 -5.499 1.00 0.95 C ATOM 752 C ASN A 54 3.984 -0.686 -4.810 1.00 0.75 C ATOM 753 O ASN A 54 4.189 -0.675 -3.597 1.00 0.97 O ATOM 754 CB ASN A 54 2.145 -2.077 -5.901 1.00 1.26 C ATOM 755 CG ASN A 54 1.198 -1.467 -4.899 1.00 1.25 C ATOM 756 OD1 ASN A 54 0.427 -2.292 -4.208 1.00 2.37 O flip ATOM 757 ND2 ASN A 54 1.128 -0.251 -4.823 1.00 1.77 N flip ATOM 0 H ASN A 54 3.995 -2.827 -3.624 1.00 0.82 H new ATOM 0 HA ASN A 54 4.167 -2.090 -6.437 1.00 0.95 H new ATOM 0 HB2 ASN A 54 2.018 -1.571 -6.858 1.00 1.26 H new ATOM 0 HB3 ASN A 54 1.870 -3.121 -6.054 1.00 1.26 H new ATOM 0 HD21 ASN A 54 1.751 0.332 -5.382 1.00 1.77 H new ATOM 0 HD22 ASN A 54 0.446 0.183 -4.200 1.00 1.77 H new ATOM 764 N LEU A 55 4.139 0.401 -5.575 1.00 0.51 N ATOM 765 CA LEU A 55 4.677 1.672 -5.086 1.00 0.45 C ATOM 766 C LEU A 55 3.888 2.830 -5.709 1.00 0.48 C ATOM 767 O LEU A 55 3.419 2.706 -6.845 1.00 0.77 O ATOM 768 CB LEU A 55 6.159 1.816 -5.482 1.00 0.65 C ATOM 769 CG LEU A 55 7.072 0.604 -5.203 1.00 0.74 C ATOM 770 CD1 LEU A 55 8.381 0.728 -5.993 1.00 0.84 C ATOM 771 CD2 LEU A 55 7.410 0.451 -3.718 1.00 0.79 C ATOM 0 H LEU A 55 3.890 0.421 -6.564 1.00 0.51 H new ATOM 0 HA LEU A 55 4.590 1.693 -4.000 1.00 0.45 H new ATOM 0 HB2 LEU A 55 6.206 2.039 -6.548 1.00 0.65 H new ATOM 0 HB3 LEU A 55 6.569 2.679 -4.957 1.00 0.65 H new ATOM 0 HG LEU A 55 6.516 -0.279 -5.519 1.00 0.74 H new ATOM 0 HD11 LEU A 55 9.014 -0.135 -5.785 1.00 0.84 H new ATOM 0 HD12 LEU A 55 8.160 0.768 -7.060 1.00 0.84 H new ATOM 0 HD13 LEU A 55 8.900 1.639 -5.696 1.00 0.84 H new ATOM 0 HD21 LEU A 55 8.054 -0.417 -3.579 1.00 0.79 H new ATOM 0 HD22 LEU A 55 7.925 1.345 -3.368 1.00 0.79 H new ATOM 0 HD23 LEU A 55 6.491 0.315 -3.148 1.00 0.79 H new ATOM 783 N ALA A 56 3.751 3.957 -5.010 1.00 0.40 N ATOM 784 CA ALA A 56 3.142 5.187 -5.504 1.00 0.40 C ATOM 785 C ALA A 56 4.091 6.346 -5.215 1.00 0.41 C ATOM 786 O ALA A 56 4.546 6.476 -4.083 1.00 0.58 O ATOM 787 CB ALA A 56 1.817 5.454 -4.780 1.00 0.44 C ATOM 0 H ALA A 56 4.075 4.039 -4.046 1.00 0.40 H new ATOM 0 HA ALA A 56 2.954 5.090 -6.573 1.00 0.40 H new ATOM 0 HB1 ALA A 56 1.374 6.375 -5.159 1.00 0.44 H new ATOM 0 HB2 ALA A 56 1.133 4.624 -4.955 1.00 0.44 H new ATOM 0 HB3 ALA A 56 2.001 5.553 -3.710 1.00 0.44 H new ATOM 793 N LYS A 57 4.360 7.196 -6.206 1.00 0.61 N ATOM 794 CA LYS A 57 4.864 8.534 -5.920 1.00 0.61 C ATOM 795 C LYS A 57 3.691 9.368 -5.410 1.00 0.91 C ATOM 796 O LYS A 57 2.539 8.944 -5.533 1.00 1.56 O ATOM 797 CB LYS A 57 5.502 9.169 -7.170 1.00 1.15 C ATOM 798 CG LYS A 57 4.585 9.206 -8.407 1.00 1.74 C ATOM 799 CD LYS A 57 5.284 9.964 -9.547 1.00 2.29 C ATOM 800 CE LYS A 57 4.710 9.631 -10.934 1.00 3.12 C ATOM 801 NZ LYS A 57 3.316 10.074 -11.137 1.00 4.82 N ATOM 0 H LYS A 57 4.239 6.985 -7.197 1.00 0.61 H new ATOM 0 HA LYS A 57 5.649 8.488 -5.165 1.00 0.61 H new ATOM 0 HB2 LYS A 57 5.807 10.187 -6.929 1.00 1.15 H new ATOM 0 HB3 LYS A 57 6.407 8.616 -7.421 1.00 1.15 H new ATOM 0 HG2 LYS A 57 4.346 8.191 -8.725 1.00 1.74 H new ATOM 0 HG3 LYS A 57 3.642 9.693 -8.158 1.00 1.74 H new ATOM 0 HD2 LYS A 57 5.194 11.036 -9.371 1.00 2.29 H new ATOM 0 HD3 LYS A 57 6.348 9.727 -9.534 1.00 2.29 H new ATOM 0 HE2 LYS A 57 5.340 10.092 -11.695 1.00 3.12 H new ATOM 0 HE3 LYS A 57 4.762 8.553 -11.087 1.00 3.12 H new ATOM 0 HZ1 LYS A 57 3.005 9.812 -12.094 1.00 4.82 H new ATOM 0 HZ2 LYS A 57 2.700 9.616 -10.435 1.00 4.82 H new ATOM 0 HZ3 LYS A 57 3.260 11.106 -11.025 1.00 4.82 H new ATOM 815 N GLY A 58 3.958 10.570 -4.913 1.00 0.80 N ATOM 816 CA GLY A 58 2.911 11.483 -4.499 1.00 1.35 C ATOM 817 C GLY A 58 3.416 12.912 -4.583 1.00 0.96 C ATOM 818 O GLY A 58 3.767 13.386 -5.661 1.00 1.75 O ATOM 0 H GLY A 58 4.903 10.934 -4.788 1.00 0.80 H new ATOM 0 HA2 GLY A 58 2.034 11.359 -5.135 1.00 1.35 H new ATOM 0 HA3 GLY A 58 2.600 11.256 -3.479 1.00 1.35 H new ATOM 822 N GLY A 59 3.473 13.580 -3.435 1.00 1.65 N ATOM 823 CA GLY A 59 3.764 14.994 -3.300 1.00 1.53 C ATOM 824 C GLY A 59 2.479 15.680 -2.878 1.00 1.67 C ATOM 825 O GLY A 59 1.498 14.993 -2.584 1.00 3.26 O ATOM 0 H GLY A 59 3.310 13.126 -2.537 1.00 1.65 H new ATOM 0 HA2 GLY A 59 4.547 15.156 -2.560 1.00 1.53 H new ATOM 0 HA3 GLY A 59 4.127 15.404 -4.243 1.00 1.53 H new ATOM 829 N GLY A 60 2.497 17.003 -2.764 1.00 1.15 N ATOM 830 CA GLY A 60 1.399 17.713 -2.140 1.00 1.64 C ATOM 831 C GLY A 60 1.022 17.054 -0.815 1.00 1.50 C ATOM 832 O GLY A 60 1.887 16.736 0.001 1.00 2.02 O ATOM 0 H GLY A 60 3.257 17.598 -3.095 1.00 1.15 H new ATOM 0 HA2 GLY A 60 1.680 18.752 -1.969 1.00 1.64 H new ATOM 0 HA3 GLY A 60 0.537 17.721 -2.807 1.00 1.64 H new ATOM 836 N ASP A 61 -0.268 16.780 -0.653 1.00 1.99 N ATOM 837 CA ASP A 61 -0.882 16.168 0.512 1.00 2.01 C ATOM 838 C ASP A 61 -1.269 14.712 0.253 1.00 1.59 C ATOM 839 O ASP A 61 -2.191 14.187 0.873 1.00 1.60 O ATOM 840 CB ASP A 61 -2.123 17.001 0.861 1.00 2.62 C ATOM 841 CG ASP A 61 -3.141 16.933 -0.263 1.00 2.81 C ATOM 842 OD1 ASP A 61 -2.822 17.416 -1.369 1.00 3.08 O ATOM 843 OD2 ASP A 61 -4.227 16.355 -0.058 1.00 3.46 O ATOM 0 H ASP A 61 -0.952 16.994 -1.379 1.00 1.99 H new ATOM 0 HA ASP A 61 -0.172 16.155 1.339 1.00 2.01 H new ATOM 0 HB2 ASP A 61 -2.568 16.632 1.785 1.00 2.62 H new ATOM 0 HB3 ASP A 61 -1.835 18.037 1.037 1.00 2.62 H new ATOM 848 N PHE A 62 -0.557 14.057 -0.658 1.00 1.43 N ATOM 849 CA PHE A 62 -0.928 12.743 -1.177 1.00 1.13 C ATOM 850 C PHE A 62 -0.895 11.678 -0.078 1.00 0.82 C ATOM 851 O PHE A 62 0.173 11.379 0.468 1.00 1.08 O ATOM 852 CB PHE A 62 -0.013 12.381 -2.344 1.00 1.20 C ATOM 853 CG PHE A 62 -0.391 11.109 -3.067 1.00 1.02 C ATOM 854 CD1 PHE A 62 -1.444 11.128 -3.998 1.00 1.99 C ATOM 855 CD2 PHE A 62 0.330 9.922 -2.851 1.00 1.43 C ATOM 856 CE1 PHE A 62 -1.715 9.993 -4.778 1.00 1.91 C ATOM 857 CE2 PHE A 62 0.066 8.790 -3.638 1.00 1.52 C ATOM 858 CZ PHE A 62 -0.937 8.835 -4.620 1.00 1.02 C ATOM 0 H PHE A 62 0.304 14.427 -1.062 1.00 1.43 H new ATOM 0 HA PHE A 62 -1.955 12.782 -1.540 1.00 1.13 H new ATOM 0 HB2 PHE A 62 -0.014 13.204 -3.059 1.00 1.20 H new ATOM 0 HB3 PHE A 62 1.007 12.283 -1.972 1.00 1.20 H new ATOM 0 HD1 PHE A 62 -2.046 12.017 -4.113 1.00 1.99 H new ATOM 0 HD2 PHE A 62 1.086 9.881 -2.081 1.00 1.43 H new ATOM 0 HE1 PHE A 62 -2.520 10.010 -5.498 1.00 1.91 H new ATOM 0 HE2 PHE A 62 0.634 7.884 -3.488 1.00 1.52 H new ATOM 0 HZ PHE A 62 -1.110 7.978 -5.254 1.00 1.02 H new ATOM 868 N THR A 63 -2.054 11.123 0.271 1.00 0.93 N ATOM 869 CA THR A 63 -2.198 10.193 1.377 1.00 0.66 C ATOM 870 C THR A 63 -1.871 8.759 0.948 1.00 0.76 C ATOM 871 O THR A 63 -1.853 8.423 -0.236 1.00 1.51 O ATOM 872 CB THR A 63 -3.628 10.297 1.934 1.00 0.77 C ATOM 873 OG1 THR A 63 -4.585 9.958 0.953 1.00 1.11 O ATOM 874 CG2 THR A 63 -3.915 11.700 2.458 1.00 1.04 C ATOM 0 H THR A 63 -2.929 11.313 -0.217 1.00 0.93 H new ATOM 0 HA THR A 63 -1.487 10.456 2.160 1.00 0.66 H new ATOM 0 HB THR A 63 -3.702 9.589 2.759 1.00 0.77 H new ATOM 0 HG1 THR A 63 -5.485 10.031 1.335 1.00 1.11 H new ATOM 0 HG21 THR A 63 -4.933 11.743 2.845 1.00 1.04 H new ATOM 0 HG22 THR A 63 -3.213 11.941 3.256 1.00 1.04 H new ATOM 0 HG23 THR A 63 -3.805 12.421 1.648 1.00 1.04 H new ATOM 882 N GLY A 64 -1.669 7.872 1.920 1.00 0.53 N ATOM 883 CA GLY A 64 -1.677 6.440 1.676 1.00 0.52 C ATOM 884 C GLY A 64 -3.012 6.011 1.069 1.00 0.43 C ATOM 885 O GLY A 64 -3.045 5.165 0.178 1.00 0.49 O ATOM 0 H GLY A 64 -1.496 8.128 2.892 1.00 0.53 H new ATOM 0 HA2 GLY A 64 -0.862 6.175 1.003 1.00 0.52 H new ATOM 0 HA3 GLY A 64 -1.506 5.904 2.610 1.00 0.52 H new ATOM 889 N ARG A 65 -4.122 6.607 1.518 1.00 0.38 N ATOM 890 CA ARG A 65 -5.416 6.312 0.922 1.00 0.37 C ATOM 891 C ARG A 65 -5.381 6.657 -0.571 1.00 0.38 C ATOM 892 O ARG A 65 -5.751 5.830 -1.400 1.00 0.40 O ATOM 893 CB ARG A 65 -6.557 7.034 1.658 1.00 0.44 C ATOM 894 CG ARG A 65 -7.849 6.243 1.426 1.00 0.84 C ATOM 895 CD ARG A 65 -9.107 6.886 2.015 1.00 1.16 C ATOM 896 NE ARG A 65 -10.245 5.952 1.907 1.00 1.85 N ATOM 897 CZ ARG A 65 -11.490 6.293 1.538 1.00 2.26 C ATOM 898 NH1 ARG A 65 -11.837 7.574 1.469 1.00 2.94 N ATOM 899 NH2 ARG A 65 -12.404 5.376 1.217 1.00 3.05 N ATOM 0 H ARG A 65 -4.145 7.285 2.280 1.00 0.38 H new ATOM 0 HA ARG A 65 -5.618 5.246 1.024 1.00 0.37 H new ATOM 0 HB2 ARG A 65 -6.339 7.103 2.724 1.00 0.44 H new ATOM 0 HB3 ARG A 65 -6.663 8.054 1.288 1.00 0.44 H new ATOM 0 HG2 ARG A 65 -7.992 6.113 0.353 1.00 0.84 H new ATOM 0 HG3 ARG A 65 -7.732 5.248 1.854 1.00 0.84 H new ATOM 0 HD2 ARG A 65 -8.938 7.148 3.060 1.00 1.16 H new ATOM 0 HD3 ARG A 65 -9.334 7.812 1.487 1.00 1.16 H new ATOM 0 HE ARG A 65 -10.072 4.972 2.130 1.00 1.85 H new ATOM 0 HH11 ARG A 65 -11.157 8.300 1.697 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -12.783 7.832 1.188 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -12.165 4.385 1.248 1.00 3.05 H new ATOM 0 HH22 ARG A 65 -13.342 5.666 0.940 1.00 3.05 H new ATOM 913 N ALA A 66 -4.905 7.858 -0.908 1.00 0.42 N ATOM 914 CA ALA A 66 -4.727 8.297 -2.285 1.00 0.53 C ATOM 915 C ALA A 66 -3.835 7.316 -3.049 1.00 0.54 C ATOM 916 O ALA A 66 -4.105 7.009 -4.206 1.00 0.58 O ATOM 917 CB ALA A 66 -4.164 9.718 -2.333 1.00 0.65 C ATOM 0 H ALA A 66 -4.630 8.559 -0.220 1.00 0.42 H new ATOM 0 HA ALA A 66 -5.702 8.313 -2.773 1.00 0.53 H new ATOM 0 HB1 ALA A 66 -4.039 10.025 -3.371 1.00 0.65 H new ATOM 0 HB2 ALA A 66 -4.853 10.399 -1.833 1.00 0.65 H new ATOM 0 HB3 ALA A 66 -3.198 9.744 -1.828 1.00 0.65 H new ATOM 923 N ALA A 67 -2.787 6.789 -2.414 1.00 0.54 N ATOM 924 CA ALA A 67 -1.946 5.773 -3.027 1.00 0.61 C ATOM 925 C ALA A 67 -2.781 4.559 -3.436 1.00 0.52 C ATOM 926 O ALA A 67 -2.765 4.168 -4.601 1.00 0.57 O ATOM 927 CB ALA A 67 -0.779 5.395 -2.112 1.00 0.69 C ATOM 0 H ALA A 67 -2.504 7.054 -1.471 1.00 0.54 H new ATOM 0 HA ALA A 67 -1.509 6.187 -3.936 1.00 0.61 H new ATOM 0 HB1 ALA A 67 -0.168 4.634 -2.597 1.00 0.69 H new ATOM 0 HB2 ALA A 67 -0.170 6.278 -1.915 1.00 0.69 H new ATOM 0 HB3 ALA A 67 -1.166 5.004 -1.171 1.00 0.69 H new ATOM 933 N VAL A 68 -3.542 3.963 -2.520 1.00 0.41 N ATOM 934 CA VAL A 68 -4.355 2.814 -2.911 1.00 0.36 C ATOM 935 C VAL A 68 -5.362 3.217 -3.988 1.00 0.37 C ATOM 936 O VAL A 68 -5.539 2.520 -4.983 1.00 0.39 O ATOM 937 CB VAL A 68 -5.022 2.122 -1.717 1.00 0.34 C ATOM 938 CG1 VAL A 68 -5.581 0.764 -2.175 1.00 0.33 C ATOM 939 CG2 VAL A 68 -4.015 1.870 -0.594 1.00 0.38 C ATOM 0 H VAL A 68 -3.613 4.241 -1.541 1.00 0.41 H new ATOM 0 HA VAL A 68 -3.685 2.068 -3.337 1.00 0.36 H new ATOM 0 HB VAL A 68 -5.816 2.770 -1.345 1.00 0.34 H new ATOM 0 HG11 VAL A 68 -6.058 0.264 -1.332 1.00 0.33 H new ATOM 0 HG12 VAL A 68 -6.314 0.921 -2.966 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -4.768 0.144 -2.552 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -4.516 1.378 0.240 1.00 0.38 H new ATOM 0 HG22 VAL A 68 -3.212 1.232 -0.962 1.00 0.38 H new ATOM 0 HG23 VAL A 68 -3.599 2.820 -0.258 1.00 0.38 H new ATOM 949 N GLN A 69 -6.003 4.365 -3.815 1.00 0.39 N ATOM 950 CA GLN A 69 -6.912 4.918 -4.799 1.00 0.47 C ATOM 951 C GLN A 69 -6.225 5.114 -6.153 1.00 0.56 C ATOM 952 O GLN A 69 -6.889 4.990 -7.180 1.00 0.63 O ATOM 953 CB GLN A 69 -7.500 6.219 -4.246 1.00 0.53 C ATOM 954 CG GLN A 69 -8.620 5.913 -3.244 1.00 0.57 C ATOM 955 CD GLN A 69 -9.975 5.865 -3.936 1.00 1.37 C ATOM 956 OE1 GLN A 69 -10.481 4.798 -4.276 1.00 2.64 O ATOM 957 NE2 GLN A 69 -10.575 7.026 -4.155 1.00 1.95 N ATOM 0 H GLN A 69 -5.903 4.941 -2.979 1.00 0.39 H new ATOM 0 HA GLN A 69 -7.726 4.217 -4.982 1.00 0.47 H new ATOM 0 HB2 GLN A 69 -6.718 6.802 -3.760 1.00 0.53 H new ATOM 0 HB3 GLN A 69 -7.890 6.826 -5.063 1.00 0.53 H new ATOM 0 HG2 GLN A 69 -8.424 4.959 -2.755 1.00 0.57 H new ATOM 0 HG3 GLN A 69 -8.633 6.675 -2.464 1.00 0.57 H new ATOM 0 HE21 GLN A 69 -10.128 7.894 -3.860 1.00 1.95 H new ATOM 0 HE22 GLN A 69 -11.483 7.051 -4.618 1.00 1.95 H new ATOM 966 N LEU A 70 -4.917 5.379 -6.207 1.00 0.61 N ATOM 967 CA LEU A 70 -4.231 5.507 -7.479 1.00 0.70 C ATOM 968 C LEU A 70 -4.245 4.119 -8.121 1.00 0.61 C ATOM 969 O LEU A 70 -4.539 3.974 -9.302 1.00 0.65 O ATOM 970 CB LEU A 70 -2.815 6.067 -7.258 1.00 0.85 C ATOM 971 CG LEU A 70 -1.883 5.948 -8.470 1.00 0.96 C ATOM 972 CD1 LEU A 70 -2.408 6.855 -9.582 1.00 1.64 C ATOM 973 CD2 LEU A 70 -0.469 6.389 -8.076 1.00 2.20 C ATOM 0 H LEU A 70 -4.323 5.507 -5.388 1.00 0.61 H new ATOM 0 HA LEU A 70 -4.721 6.213 -8.150 1.00 0.70 H new ATOM 0 HB2 LEU A 70 -2.894 7.118 -6.979 1.00 0.85 H new ATOM 0 HB3 LEU A 70 -2.361 5.547 -6.415 1.00 0.85 H new ATOM 0 HG LEU A 70 -1.852 4.914 -8.815 1.00 0.96 H new ATOM 0 HD11 LEU A 70 -1.754 6.781 -10.451 1.00 1.64 H new ATOM 0 HD12 LEU A 70 -3.416 6.546 -9.858 1.00 1.64 H new ATOM 0 HD13 LEU A 70 -2.429 7.887 -9.231 1.00 1.64 H new ATOM 0 HD21 LEU A 70 0.192 6.304 -8.938 1.00 2.20 H new ATOM 0 HD22 LEU A 70 -0.492 7.425 -7.737 1.00 2.20 H new ATOM 0 HD23 LEU A 70 -0.100 5.752 -7.272 1.00 2.20 H new ATOM 985 N TRP A 71 -3.982 3.080 -7.333 1.00 0.54 N ATOM 986 CA TRP A 71 -3.962 1.703 -7.808 1.00 0.53 C ATOM 987 C TRP A 71 -5.361 1.274 -8.266 1.00 0.51 C ATOM 988 O TRP A 71 -5.501 0.564 -9.259 1.00 0.66 O ATOM 989 CB TRP A 71 -3.368 0.797 -6.715 1.00 0.52 C ATOM 990 CG TRP A 71 -2.119 1.331 -6.066 1.00 0.52 C ATOM 991 CD1 TRP A 71 -1.287 2.234 -6.629 1.00 0.59 C ATOM 992 CD2 TRP A 71 -1.592 1.107 -4.717 1.00 0.49 C ATOM 993 NE1 TRP A 71 -0.367 2.656 -5.705 1.00 0.56 N ATOM 994 CE2 TRP A 71 -0.497 1.995 -4.505 1.00 0.49 C ATOM 995 CE3 TRP A 71 -1.924 0.253 -3.644 1.00 0.51 C ATOM 996 CZ2 TRP A 71 0.220 2.035 -3.298 1.00 0.50 C ATOM 997 CZ3 TRP A 71 -1.193 0.263 -2.442 1.00 0.56 C ATOM 998 CH2 TRP A 71 -0.146 1.178 -2.253 1.00 0.56 C ATOM 0 H TRP A 71 -3.775 3.173 -6.339 1.00 0.54 H new ATOM 0 HA TRP A 71 -3.320 1.612 -8.684 1.00 0.53 H new ATOM 0 HB2 TRP A 71 -4.122 0.638 -5.944 1.00 0.52 H new ATOM 0 HB3 TRP A 71 -3.147 -0.178 -7.150 1.00 0.52 H new ATOM 0 HD1 TRP A 71 -1.339 2.573 -7.653 1.00 0.59 H new ATOM 0 HE1 TRP A 71 0.333 3.376 -5.886 1.00 0.56 H new ATOM 0 HE3 TRP A 71 -2.759 -0.424 -3.748 1.00 0.51 H new ATOM 0 HZ2 TRP A 71 1.046 2.720 -3.177 1.00 0.50 H new ATOM 0 HZ3 TRP A 71 -1.439 -0.439 -1.659 1.00 0.56 H new ATOM 0 HH2 TRP A 71 0.374 1.221 -1.308 1.00 0.56 H new ATOM 1009 N VAL A 72 -6.400 1.729 -7.568 1.00 0.44 N ATOM 1010 CA VAL A 72 -7.790 1.471 -7.928 1.00 0.47 C ATOM 1011 C VAL A 72 -8.298 2.472 -8.980 1.00 0.64 C ATOM 1012 O VAL A 72 -9.417 2.336 -9.475 1.00 0.85 O ATOM 1013 CB VAL A 72 -8.642 1.378 -6.647 1.00 0.44 C ATOM 1014 CG1 VAL A 72 -10.113 1.030 -6.913 1.00 0.46 C ATOM 1015 CG2 VAL A 72 -8.099 0.264 -5.739 1.00 0.44 C ATOM 0 H VAL A 72 -6.297 2.295 -6.725 1.00 0.44 H new ATOM 0 HA VAL A 72 -7.878 0.505 -8.424 1.00 0.47 H new ATOM 0 HB VAL A 72 -8.584 2.365 -6.189 1.00 0.44 H new ATOM 0 HG11 VAL A 72 -10.652 0.981 -5.967 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -10.560 1.797 -7.546 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -10.173 0.064 -7.415 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -8.705 0.203 -4.835 1.00 0.44 H new ATOM 0 HG22 VAL A 72 -8.139 -0.688 -6.268 1.00 0.44 H new ATOM 0 HG23 VAL A 72 -7.067 0.486 -5.469 1.00 0.44 H new ATOM 1025 N SER A 73 -7.475 3.435 -9.406 1.00 0.69 N ATOM 1026 CA SER A 73 -7.747 4.204 -10.616 1.00 0.80 C ATOM 1027 C SER A 73 -7.902 3.242 -11.791 1.00 0.67 C ATOM 1028 O SER A 73 -8.699 3.487 -12.697 1.00 0.71 O ATOM 1029 CB SER A 73 -6.627 5.218 -10.897 1.00 1.12 C ATOM 1030 OG SER A 73 -7.026 6.184 -11.854 1.00 1.96 O ATOM 0 H SER A 73 -6.614 3.698 -8.927 1.00 0.69 H new ATOM 0 HA SER A 73 -8.669 4.768 -10.476 1.00 0.80 H new ATOM 0 HB2 SER A 73 -6.347 5.718 -9.970 1.00 1.12 H new ATOM 0 HB3 SER A 73 -5.742 4.693 -11.256 1.00 1.12 H new ATOM 0 HG SER A 73 -6.292 6.814 -12.008 1.00 1.96 H new ATOM 1036 N GLU A 74 -7.165 2.130 -11.771 1.00 0.74 N ATOM 1037 CA GLU A 74 -7.213 1.107 -12.796 1.00 0.83 C ATOM 1038 C GLU A 74 -8.478 0.242 -12.633 1.00 0.93 C ATOM 1039 O GLU A 74 -8.408 -0.985 -12.709 1.00 1.54 O ATOM 1040 CB GLU A 74 -5.932 0.262 -12.698 1.00 1.06 C ATOM 1041 CG GLU A 74 -4.644 1.063 -12.427 1.00 1.83 C ATOM 1042 CD GLU A 74 -4.427 2.195 -13.399 1.00 2.76 C ATOM 1043 OE1 GLU A 74 -4.471 1.952 -14.619 1.00 3.33 O ATOM 1044 OE2 GLU A 74 -4.085 3.311 -12.963 1.00 3.91 O ATOM 0 H GLU A 74 -6.506 1.919 -11.022 1.00 0.74 H new ATOM 0 HA GLU A 74 -7.264 1.563 -13.785 1.00 0.83 H new ATOM 0 HB2 GLU A 74 -6.059 -0.473 -11.903 1.00 1.06 H new ATOM 0 HB3 GLU A 74 -5.808 -0.293 -13.628 1.00 1.06 H new ATOM 0 HG2 GLU A 74 -4.681 1.465 -11.415 1.00 1.83 H new ATOM 0 HG3 GLU A 74 -3.789 0.388 -12.470 1.00 1.83 H new ATOM 1051 N ARG A 75 -9.626 0.860 -12.353 1.00 0.69 N ATOM 1052 CA ARG A 75 -10.876 0.150 -12.158 1.00 0.85 C ATOM 1053 C ARG A 75 -11.318 -0.562 -13.446 1.00 1.15 C ATOM 1054 O ARG A 75 -11.404 -1.790 -13.441 1.00 1.52 O ATOM 1055 CB ARG A 75 -11.948 1.044 -11.503 1.00 0.81 C ATOM 1056 CG ARG A 75 -13.308 0.332 -11.508 1.00 0.97 C ATOM 1057 CD ARG A 75 -14.306 0.833 -10.460 1.00 1.10 C ATOM 1058 NE ARG A 75 -14.910 2.129 -10.808 1.00 2.07 N ATOM 1059 CZ ARG A 75 -16.150 2.518 -10.466 1.00 2.76 C ATOM 1060 NH1 ARG A 75 -17.007 1.682 -9.881 1.00 3.14 N ATOM 1061 NH2 ARG A 75 -16.554 3.762 -10.710 1.00 4.17 N ATOM 0 H ARG A 75 -9.708 1.872 -12.256 1.00 0.69 H new ATOM 0 HA ARG A 75 -10.716 -0.650 -11.435 1.00 0.85 H new ATOM 0 HB2 ARG A 75 -11.658 1.282 -10.480 1.00 0.81 H new ATOM 0 HB3 ARG A 75 -12.022 1.989 -12.041 1.00 0.81 H new ATOM 0 HG2 ARG A 75 -13.755 0.443 -12.496 1.00 0.97 H new ATOM 0 HG3 ARG A 75 -13.143 -0.734 -11.350 1.00 0.97 H new ATOM 0 HD2 ARG A 75 -15.096 0.092 -10.337 1.00 1.10 H new ATOM 0 HD3 ARG A 75 -13.800 0.922 -9.499 1.00 1.10 H new ATOM 0 HE ARG A 75 -14.344 2.782 -11.350 1.00 2.07 H new ATOM 0 HH11 ARG A 75 -16.727 0.721 -9.683 1.00 3.14 H new ATOM 0 HH12 ARG A 75 -17.943 2.003 -9.632 1.00 3.14 H new ATOM 0 HH21 ARG A 75 -15.922 4.425 -11.158 1.00 4.17 H new ATOM 0 HH22 ARG A 75 -17.496 4.053 -10.449 1.00 4.17 H new ATOM 1075 N PRO A 76 -11.625 0.151 -14.543 1.00 1.19 N ATOM 1076 CA PRO A 76 -12.290 -0.456 -15.687 1.00 1.53 C ATOM 1077 C PRO A 76 -11.474 -1.544 -16.394 1.00 1.56 C ATOM 1078 O PRO A 76 -12.020 -2.245 -17.247 1.00 2.01 O ATOM 1079 CB PRO A 76 -12.683 0.699 -16.612 1.00 1.75 C ATOM 1080 CG PRO A 76 -11.745 1.839 -16.220 1.00 1.44 C ATOM 1081 CD PRO A 76 -11.501 1.589 -14.733 1.00 1.15 C ATOM 0 HA PRO A 76 -13.168 -1.009 -15.352 1.00 1.53 H new ATOM 0 HB2 PRO A 76 -12.561 0.427 -17.660 1.00 1.75 H new ATOM 0 HB3 PRO A 76 -13.727 0.979 -16.475 1.00 1.75 H new ATOM 0 HG2 PRO A 76 -10.817 1.812 -16.791 1.00 1.44 H new ATOM 0 HG3 PRO A 76 -12.200 2.814 -16.396 1.00 1.44 H new ATOM 0 HD2 PRO A 76 -10.512 1.938 -14.436 1.00 1.15 H new ATOM 0 HD3 PRO A 76 -12.226 2.127 -14.123 1.00 1.15 H new ATOM 1089 N SER A 77 -10.184 -1.703 -16.088 1.00 1.32 N ATOM 1090 CA SER A 77 -9.393 -2.774 -16.670 1.00 1.42 C ATOM 1091 C SER A 77 -9.561 -4.076 -15.909 1.00 1.39 C ATOM 1092 O SER A 77 -9.387 -5.122 -16.516 1.00 1.49 O ATOM 1093 CB SER A 77 -7.913 -2.420 -16.719 1.00 1.67 C ATOM 1094 OG SER A 77 -7.455 -1.928 -15.475 1.00 2.11 O ATOM 0 H SER A 77 -9.672 -1.102 -15.442 1.00 1.32 H new ATOM 0 HA SER A 77 -9.764 -2.904 -17.687 1.00 1.42 H new ATOM 0 HB2 SER A 77 -7.336 -3.302 -16.997 1.00 1.67 H new ATOM 0 HB3 SER A 77 -7.743 -1.671 -17.492 1.00 1.67 H new ATOM 0 HG SER A 77 -6.501 -1.712 -15.540 1.00 2.11 H new ATOM 1100 N TYR A 78 -9.859 -4.056 -14.615 1.00 1.36 N ATOM 1101 CA TYR A 78 -10.287 -5.273 -13.954 1.00 1.30 C ATOM 1102 C TYR A 78 -11.787 -5.388 -14.231 1.00 1.10 C ATOM 1103 O TYR A 78 -12.439 -4.385 -14.535 1.00 1.20 O ATOM 1104 CB TYR A 78 -9.920 -5.229 -12.464 1.00 1.51 C ATOM 1105 CG TYR A 78 -11.003 -4.726 -11.535 1.00 0.91 C ATOM 1106 CD1 TYR A 78 -12.061 -5.578 -11.178 1.00 2.34 C ATOM 1107 CD2 TYR A 78 -10.959 -3.422 -11.015 1.00 1.84 C ATOM 1108 CE1 TYR A 78 -13.178 -5.065 -10.509 1.00 2.35 C ATOM 1109 CE2 TYR A 78 -12.025 -2.950 -10.230 1.00 2.22 C ATOM 1110 CZ TYR A 78 -13.159 -3.750 -10.022 1.00 1.56 C ATOM 1111 OH TYR A 78 -14.220 -3.278 -9.310 1.00 2.30 O ATOM 0 H TYR A 78 -9.813 -3.230 -14.019 1.00 1.36 H new ATOM 0 HA TYR A 78 -9.785 -6.165 -14.329 1.00 1.30 H new ATOM 0 HB2 TYR A 78 -9.635 -6.233 -12.149 1.00 1.51 H new ATOM 0 HB3 TYR A 78 -9.041 -4.596 -12.344 1.00 1.51 H new ATOM 0 HD1 TYR A 78 -12.012 -6.629 -11.420 1.00 2.34 H new ATOM 0 HD2 TYR A 78 -10.110 -2.785 -11.217 1.00 1.84 H new ATOM 0 HE1 TYR A 78 -14.054 -5.681 -10.368 1.00 2.35 H new ATOM 0 HE2 TYR A 78 -11.971 -1.967 -9.785 1.00 2.22 H new ATOM 0 HH TYR A 78 -14.049 -2.350 -9.044 1.00 2.30 H new ATOM 1121 N ASN A 79 -12.348 -6.593 -14.173 1.00 1.21 N ATOM 1122 CA ASN A 79 -13.777 -6.771 -14.373 1.00 1.20 C ATOM 1123 C ASN A 79 -14.223 -8.019 -13.615 1.00 1.50 C ATOM 1124 O ASN A 79 -14.292 -7.984 -12.391 1.00 3.16 O ATOM 1125 CB ASN A 79 -14.110 -6.785 -15.875 1.00 1.31 C ATOM 1126 CG ASN A 79 -15.612 -6.925 -16.066 1.00 1.54 C ATOM 1127 OD1 ASN A 79 -16.102 -8.003 -16.400 1.00 1.67 O ATOM 1128 ND2 ASN A 79 -16.352 -5.855 -15.827 1.00 2.60 N ATOM 0 H ASN A 79 -11.835 -7.455 -13.990 1.00 1.21 H new ATOM 0 HA ASN A 79 -14.342 -5.933 -13.965 1.00 1.20 H new ATOM 0 HB2 ASN A 79 -13.758 -5.866 -16.344 1.00 1.31 H new ATOM 0 HB3 ASN A 79 -13.593 -7.611 -16.364 1.00 1.31 H new ATOM 0 HD21 ASN A 79 -17.367 -5.906 -15.918 1.00 2.60 H new ATOM 0 HD22 ASN A 79 -15.908 -4.979 -15.552 1.00 2.60 H new ATOM 1135 N TYR A 80 -14.469 -9.119 -14.327 1.00 1.11 N ATOM 1136 CA TYR A 80 -14.781 -10.444 -13.806 1.00 1.10 C ATOM 1137 C TYR A 80 -15.044 -11.383 -14.978 1.00 1.44 C ATOM 1138 O TYR A 80 -14.666 -12.549 -14.911 1.00 2.68 O ATOM 1139 CB TYR A 80 -15.958 -10.448 -12.815 1.00 1.32 C ATOM 1140 CG TYR A 80 -15.666 -11.045 -11.453 1.00 1.10 C ATOM 1141 CD1 TYR A 80 -15.230 -12.381 -11.350 1.00 1.59 C ATOM 1142 CD2 TYR A 80 -16.024 -10.340 -10.289 1.00 2.60 C ATOM 1143 CE1 TYR A 80 -15.149 -13.001 -10.091 1.00 1.47 C ATOM 1144 CE2 TYR A 80 -16.064 -11.007 -9.055 1.00 3.10 C ATOM 1145 CZ TYR A 80 -15.582 -12.321 -8.945 1.00 1.90 C ATOM 1146 OH TYR A 80 -15.526 -12.936 -7.732 1.00 2.48 O ATOM 0 H TYR A 80 -14.454 -9.104 -15.347 1.00 1.11 H new ATOM 0 HA TYR A 80 -13.921 -10.790 -13.233 1.00 1.10 H new ATOM 0 HB2 TYR A 80 -16.296 -9.421 -12.677 1.00 1.32 H new ATOM 0 HB3 TYR A 80 -16.785 -10.999 -13.263 1.00 1.32 H new ATOM 0 HD1 TYR A 80 -14.958 -12.929 -12.240 1.00 1.59 H new ATOM 0 HD2 TYR A 80 -16.267 -9.289 -10.345 1.00 2.60 H new ATOM 0 HE1 TYR A 80 -14.753 -14.002 -10.007 1.00 1.47 H new ATOM 0 HE2 TYR A 80 -16.467 -10.508 -8.186 1.00 3.10 H new ATOM 0 HH TYR A 80 -15.372 -12.267 -7.033 1.00 2.48 H new ATOM 1156 N ALA A 81 -15.606 -10.869 -16.077 1.00 1.79 N ATOM 1157 CA ALA A 81 -15.816 -11.593 -17.326 1.00 2.20 C ATOM 1158 C ALA A 81 -14.644 -12.524 -17.658 1.00 2.31 C ATOM 1159 O ALA A 81 -14.840 -13.719 -17.880 1.00 2.67 O ATOM 1160 CB ALA A 81 -16.030 -10.581 -18.456 1.00 2.52 C ATOM 0 H ALA A 81 -15.937 -9.905 -16.118 1.00 1.79 H new ATOM 0 HA ALA A 81 -16.698 -12.224 -17.214 1.00 2.20 H new ATOM 0 HB1 ALA A 81 -16.188 -11.112 -19.395 1.00 2.52 H new ATOM 0 HB2 ALA A 81 -16.903 -9.968 -18.235 1.00 2.52 H new ATOM 0 HB3 ALA A 81 -15.151 -9.942 -18.544 1.00 2.52 H new ATOM 1166 N THR A 82 -13.429 -11.975 -17.675 1.00 2.18 N ATOM 1167 CA THR A 82 -12.190 -12.665 -18.017 1.00 2.46 C ATOM 1168 C THR A 82 -11.455 -13.204 -16.774 1.00 1.99 C ATOM 1169 O THR A 82 -10.384 -13.797 -16.894 1.00 2.27 O ATOM 1170 CB THR A 82 -11.320 -11.626 -18.735 1.00 3.12 C ATOM 1171 OG1 THR A 82 -11.288 -10.446 -17.947 1.00 3.12 O ATOM 1172 CG2 THR A 82 -11.911 -11.270 -20.102 1.00 3.69 C ATOM 0 H THR A 82 -13.278 -10.994 -17.440 1.00 2.18 H new ATOM 0 HA THR A 82 -12.402 -13.535 -18.639 1.00 2.46 H new ATOM 0 HB THR A 82 -10.322 -12.040 -18.875 1.00 3.12 H new ATOM 0 HG1 THR A 82 -10.463 -9.950 -18.133 1.00 3.12 H new ATOM 0 HG21 THR A 82 -11.276 -10.531 -20.592 1.00 3.69 H new ATOM 0 HG22 THR A 82 -11.967 -12.167 -20.719 1.00 3.69 H new ATOM 0 HG23 THR A 82 -12.911 -10.858 -19.970 1.00 3.69 H new ATOM 1180 N ASN A 83 -11.981 -12.910 -15.581 1.00 1.58 N ATOM 1181 CA ASN A 83 -11.364 -13.084 -14.267 1.00 1.46 C ATOM 1182 C ASN A 83 -9.869 -12.755 -14.263 1.00 1.66 C ATOM 1183 O ASN A 83 -9.056 -13.437 -13.638 1.00 2.11 O ATOM 1184 CB ASN A 83 -11.681 -14.467 -13.685 1.00 1.68 C ATOM 1185 CG ASN A 83 -11.694 -14.428 -12.158 1.00 2.11 C ATOM 1186 OD1 ASN A 83 -12.742 -14.586 -11.545 1.00 3.97 O ATOM 1187 ND2 ASN A 83 -10.550 -14.232 -11.513 1.00 1.43 N ATOM 0 H ASN A 83 -12.918 -12.515 -15.506 1.00 1.58 H new ATOM 0 HA ASN A 83 -11.814 -12.350 -13.599 1.00 1.46 H new ATOM 0 HB2 ASN A 83 -12.650 -14.807 -14.052 1.00 1.68 H new ATOM 0 HB3 ASN A 83 -10.939 -15.189 -14.028 1.00 1.68 H new ATOM 0 HD21 ASN A 83 -10.536 -14.212 -10.493 1.00 1.43 H new ATOM 0 HD22 ASN A 83 -9.685 -14.102 -12.037 1.00 1.43 H new ATOM 1194 N GLN A 84 -9.492 -11.693 -14.969 1.00 1.61 N ATOM 1195 CA GLN A 84 -8.168 -11.098 -14.926 1.00 2.03 C ATOM 1196 C GLN A 84 -8.349 -9.650 -15.371 1.00 1.66 C ATOM 1197 O GLN A 84 -9.320 -9.023 -14.945 1.00 1.91 O ATOM 1198 CB GLN A 84 -7.162 -11.935 -15.732 1.00 2.89 C ATOM 1199 CG GLN A 84 -7.511 -12.104 -17.217 1.00 2.83 C ATOM 1200 CD GLN A 84 -6.932 -13.408 -17.748 1.00 3.78 C ATOM 1201 OE1 GLN A 84 -5.749 -13.476 -18.074 1.00 4.57 O ATOM 1202 NE2 GLN A 84 -7.738 -14.458 -17.808 1.00 4.51 N ATOM 0 H GLN A 84 -10.124 -11.210 -15.607 1.00 1.61 H new ATOM 0 HA GLN A 84 -7.725 -11.092 -13.930 1.00 2.03 H new ATOM 0 HB2 GLN A 84 -6.179 -11.470 -15.655 1.00 2.89 H new ATOM 0 HB3 GLN A 84 -7.084 -12.922 -15.277 1.00 2.89 H new ATOM 0 HG2 GLN A 84 -8.593 -12.099 -17.347 1.00 2.83 H new ATOM 0 HG3 GLN A 84 -7.117 -11.263 -17.789 1.00 2.83 H new ATOM 0 HE21 GLN A 84 -8.715 -14.367 -17.530 1.00 4.51 H new ATOM 0 HE22 GLN A 84 -7.381 -15.357 -18.132 1.00 4.51 H new ATOM 1211 N CYS A 85 -7.485 -9.122 -16.236 1.00 1.49 N ATOM 1212 CA CYS A 85 -7.747 -7.826 -16.848 1.00 1.37 C ATOM 1213 C CYS A 85 -8.677 -7.976 -18.045 1.00 1.60 C ATOM 1214 O CYS A 85 -8.897 -9.081 -18.544 1.00 2.57 O ATOM 1215 CB CYS A 85 -6.469 -7.129 -17.305 1.00 1.62 C ATOM 1216 SG CYS A 85 -5.378 -6.588 -15.989 1.00 2.36 S ATOM 0 H CYS A 85 -6.612 -9.565 -16.524 1.00 1.49 H new ATOM 0 HA CYS A 85 -8.217 -7.212 -16.079 1.00 1.37 H new ATOM 0 HB2 CYS A 85 -5.918 -7.808 -17.956 1.00 1.62 H new ATOM 0 HB3 CYS A 85 -6.743 -6.262 -17.907 1.00 1.62 H new ATOM 1221 N VAL A 86 -9.182 -6.849 -18.536 1.00 1.27 N ATOM 1222 CA VAL A 86 -9.950 -6.711 -19.755 1.00 1.35 C ATOM 1223 C VAL A 86 -8.851 -6.415 -20.776 1.00 1.46 C ATOM 1224 O VAL A 86 -7.981 -5.576 -20.524 1.00 1.60 O ATOM 1225 CB VAL A 86 -10.872 -5.484 -19.637 1.00 1.30 C ATOM 1226 CG1 VAL A 86 -11.335 -4.876 -20.969 1.00 1.49 C ATOM 1227 CG2 VAL A 86 -11.992 -5.641 -18.611 1.00 1.38 C ATOM 0 H VAL A 86 -9.055 -5.956 -18.059 1.00 1.27 H new ATOM 0 HA VAL A 86 -10.575 -7.571 -19.996 1.00 1.35 H new ATOM 0 HB VAL A 86 -10.212 -4.721 -19.225 1.00 1.30 H new ATOM 0 HG11 VAL A 86 -11.979 -4.019 -20.773 1.00 1.49 H new ATOM 0 HG12 VAL A 86 -10.466 -4.554 -21.543 1.00 1.49 H new ATOM 0 HG13 VAL A 86 -11.889 -5.623 -21.537 1.00 1.49 H new ATOM 0 HG21 VAL A 86 -12.596 -4.734 -18.590 1.00 1.38 H new ATOM 0 HG22 VAL A 86 -12.620 -6.488 -18.885 1.00 1.38 H new ATOM 0 HG23 VAL A 86 -11.561 -5.813 -17.625 1.00 1.38 H new ATOM 1237 N GLY A 87 -8.872 -7.092 -21.915 1.00 1.79 N ATOM 1238 CA GLY A 87 -7.780 -7.090 -22.872 1.00 2.19 C ATOM 1239 C GLY A 87 -6.471 -7.322 -22.121 1.00 3.14 C ATOM 1240 O GLY A 87 -6.312 -8.352 -21.466 1.00 4.68 O ATOM 0 H GLY A 87 -9.663 -7.668 -22.203 1.00 1.79 H new ATOM 0 HA2 GLY A 87 -7.931 -7.870 -23.619 1.00 2.19 H new ATOM 0 HA3 GLY A 87 -7.747 -6.140 -23.405 1.00 2.19 H new ATOM 1244 N GLY A 88 -5.575 -6.337 -22.161 1.00 2.98 N ATOM 1245 CA GLY A 88 -4.352 -6.325 -21.382 1.00 4.00 C ATOM 1246 C GLY A 88 -3.839 -4.892 -21.298 1.00 3.32 C ATOM 1247 O GLY A 88 -2.884 -4.528 -21.984 1.00 3.96 O ATOM 0 H GLY A 88 -5.687 -5.512 -22.750 1.00 2.98 H new ATOM 0 HA2 GLY A 88 -4.537 -6.719 -20.383 1.00 4.00 H new ATOM 0 HA3 GLY A 88 -3.603 -6.968 -21.845 1.00 4.00 H new ATOM 1251 N LYS A 89 -4.487 -4.057 -20.483 1.00 2.62 N ATOM 1252 CA LYS A 89 -4.036 -2.685 -20.274 1.00 2.27 C ATOM 1253 C LYS A 89 -2.777 -2.704 -19.392 1.00 2.16 C ATOM 1254 O LYS A 89 -2.344 -3.775 -18.962 1.00 2.89 O ATOM 1255 CB LYS A 89 -5.147 -1.840 -19.650 1.00 3.06 C ATOM 1256 CG LYS A 89 -6.205 -1.440 -20.681 1.00 3.87 C ATOM 1257 CD LYS A 89 -7.133 -2.602 -21.048 1.00 5.09 C ATOM 1258 CE LYS A 89 -8.451 -2.102 -21.661 1.00 6.36 C ATOM 1259 NZ LYS A 89 -8.353 -1.912 -23.122 1.00 6.77 N ATOM 0 H LYS A 89 -5.325 -4.309 -19.959 1.00 2.62 H new ATOM 0 HA LYS A 89 -3.788 -2.228 -21.232 1.00 2.27 H new ATOM 0 HB2 LYS A 89 -5.620 -2.400 -18.843 1.00 3.06 H new ATOM 0 HB3 LYS A 89 -4.715 -0.943 -19.206 1.00 3.06 H new ATOM 0 HG2 LYS A 89 -6.799 -0.615 -20.287 1.00 3.87 H new ATOM 0 HG3 LYS A 89 -5.711 -1.075 -21.581 1.00 3.87 H new ATOM 0 HD2 LYS A 89 -6.629 -3.261 -21.755 1.00 5.09 H new ATOM 0 HD3 LYS A 89 -7.346 -3.193 -20.157 1.00 5.09 H new ATOM 0 HE2 LYS A 89 -9.245 -2.816 -21.442 1.00 6.36 H new ATOM 0 HE3 LYS A 89 -8.732 -1.159 -21.192 1.00 6.36 H new ATOM 0 HZ1 LYS A 89 -9.265 -1.574 -23.490 1.00 6.77 H new ATOM 0 HZ2 LYS A 89 -7.614 -1.211 -23.332 1.00 6.77 H new ATOM 0 HZ3 LYS A 89 -8.111 -2.817 -23.574 1.00 6.77 H new ATOM 1273 N LYS A 90 -2.210 -1.541 -19.062 1.00 2.05 N ATOM 1274 CA LYS A 90 -1.207 -1.450 -18.007 1.00 2.22 C ATOM 1275 C LYS A 90 -1.939 -1.521 -16.667 1.00 1.93 C ATOM 1276 O LYS A 90 -2.147 -0.509 -15.995 1.00 2.23 O ATOM 1277 CB LYS A 90 -0.375 -0.172 -18.140 1.00 2.82 C ATOM 1278 CG LYS A 90 0.435 -0.138 -19.443 1.00 3.31 C ATOM 1279 CD LYS A 90 1.688 0.736 -19.271 1.00 4.02 C ATOM 1280 CE LYS A 90 1.387 2.151 -18.745 1.00 4.73 C ATOM 1281 NZ LYS A 90 0.716 3.000 -19.748 1.00 5.43 N ATOM 0 H LYS A 90 -2.430 -0.652 -19.512 1.00 2.05 H new ATOM 0 HA LYS A 90 -0.499 -2.275 -18.083 1.00 2.22 H new ATOM 0 HB2 LYS A 90 -1.035 0.694 -18.102 1.00 2.82 H new ATOM 0 HB3 LYS A 90 0.304 -0.093 -17.291 1.00 2.82 H new ATOM 0 HG2 LYS A 90 0.725 -1.150 -19.725 1.00 3.31 H new ATOM 0 HG3 LYS A 90 -0.181 0.254 -20.252 1.00 3.31 H new ATOM 0 HD2 LYS A 90 2.374 0.241 -18.584 1.00 4.02 H new ATOM 0 HD3 LYS A 90 2.199 0.816 -20.230 1.00 4.02 H new ATOM 0 HE2 LYS A 90 0.758 2.078 -17.857 1.00 4.73 H new ATOM 0 HE3 LYS A 90 2.319 2.626 -18.438 1.00 4.73 H new ATOM 0 HZ1 LYS A 90 0.537 3.941 -19.342 1.00 5.43 H new ATOM 0 HZ2 LYS A 90 1.325 3.095 -20.586 1.00 5.43 H new ATOM 0 HZ3 LYS A 90 -0.187 2.564 -20.024 1.00 5.43 H new ATOM 1295 N CYS A 91 -2.381 -2.723 -16.328 1.00 1.60 N ATOM 1296 CA CYS A 91 -3.406 -3.018 -15.338 1.00 1.35 C ATOM 1297 C CYS A 91 -2.833 -4.009 -14.335 1.00 1.44 C ATOM 1298 O CYS A 91 -3.395 -5.074 -14.087 1.00 2.72 O ATOM 1299 CB CYS A 91 -4.624 -3.606 -16.060 1.00 1.63 C ATOM 1300 SG CYS A 91 -4.271 -5.128 -16.972 1.00 2.72 S ATOM 0 H CYS A 91 -2.012 -3.569 -16.763 1.00 1.60 H new ATOM 0 HA CYS A 91 -3.716 -2.119 -14.806 1.00 1.35 H new ATOM 0 HB2 CYS A 91 -5.407 -3.806 -15.328 1.00 1.63 H new ATOM 0 HB3 CYS A 91 -5.018 -2.862 -16.753 1.00 1.63 H new ATOM 1305 N ARG A 92 -1.666 -3.686 -13.780 1.00 0.90 N ATOM 1306 CA ARG A 92 -0.936 -4.589 -12.908 1.00 0.90 C ATOM 1307 C ARG A 92 -0.606 -3.865 -11.607 1.00 0.94 C ATOM 1308 O ARG A 92 0.551 -3.798 -11.191 1.00 1.57 O ATOM 1309 CB ARG A 92 0.260 -5.167 -13.688 1.00 1.46 C ATOM 1310 CG ARG A 92 0.475 -6.656 -13.395 1.00 2.12 C ATOM 1311 CD ARG A 92 1.435 -6.833 -12.224 1.00 1.54 C ATOM 1312 NE ARG A 92 2.821 -6.549 -12.638 1.00 1.83 N ATOM 1313 CZ ARG A 92 3.907 -6.996 -11.990 1.00 3.15 C ATOM 1314 NH1 ARG A 92 3.756 -7.587 -10.806 1.00 4.39 N ATOM 1315 NH2 ARG A 92 5.114 -6.860 -12.539 1.00 3.82 N ATOM 0 H ARG A 92 -1.204 -2.788 -13.926 1.00 0.90 H new ATOM 0 HA ARG A 92 -1.524 -5.455 -12.603 1.00 0.90 H new ATOM 0 HB2 ARG A 92 0.096 -5.028 -14.757 1.00 1.46 H new ATOM 0 HB3 ARG A 92 1.163 -4.613 -13.429 1.00 1.46 H new ATOM 0 HG2 ARG A 92 -0.480 -7.130 -13.166 1.00 2.12 H new ATOM 0 HG3 ARG A 92 0.874 -7.153 -14.279 1.00 2.12 H new ATOM 0 HD2 ARG A 92 1.150 -6.167 -11.410 1.00 1.54 H new ATOM 0 HD3 ARG A 92 1.366 -7.851 -11.842 1.00 1.54 H new ATOM 0 HE ARG A 92 2.963 -5.976 -13.470 1.00 1.83 H new ATOM 0 HH11 ARG A 92 2.824 -7.694 -10.405 1.00 4.39 H new ATOM 0 HH12 ARG A 92 4.572 -7.932 -10.301 1.00 4.39 H new ATOM 0 HH21 ARG A 92 5.212 -6.416 -13.452 1.00 3.82 H new ATOM 0 HH22 ARG A 92 5.940 -7.200 -12.046 1.00 3.82 H new ATOM 1329 N HIS A 93 -1.634 -3.309 -10.965 1.00 0.72 N ATOM 1330 CA HIS A 93 -1.579 -2.841 -9.588 1.00 0.71 C ATOM 1331 C HIS A 93 -2.831 -3.304 -8.848 1.00 0.63 C ATOM 1332 O HIS A 93 -2.717 -3.934 -7.801 1.00 0.63 O ATOM 1333 CB HIS A 93 -1.425 -1.319 -9.527 1.00 0.80 C ATOM 1334 CG HIS A 93 -0.132 -0.814 -10.113 1.00 0.95 C ATOM 1335 ND1 HIS A 93 -0.016 0.039 -11.196 1.00 1.61 N ATOM 1336 CD2 HIS A 93 1.131 -1.116 -9.673 1.00 0.89 C ATOM 1337 CE1 HIS A 93 1.290 0.290 -11.380 1.00 1.85 C ATOM 1338 NE2 HIS A 93 1.999 -0.399 -10.468 1.00 1.36 N ATOM 0 H HIS A 93 -2.546 -3.170 -11.401 1.00 0.72 H new ATOM 0 HA HIS A 93 -0.703 -3.268 -9.100 1.00 0.71 H new ATOM 0 HB2 HIS A 93 -2.258 -0.857 -10.057 1.00 0.80 H new ATOM 0 HB3 HIS A 93 -1.492 -0.998 -8.488 1.00 0.80 H new ATOM 0 HD2 HIS A 93 1.393 -1.783 -8.865 1.00 0.89 H new ATOM 0 HE1 HIS A 93 1.704 0.939 -12.137 1.00 1.85 H new ATOM 0 HE2 HIS A 93 3.015 -0.392 -10.379 1.00 1.36 H new ATOM 1347 N TYR A 94 -4.017 -3.032 -9.398 1.00 0.59 N ATOM 1348 CA TYR A 94 -5.291 -3.446 -8.821 1.00 0.49 C ATOM 1349 C TYR A 94 -5.253 -4.922 -8.448 1.00 0.48 C ATOM 1350 O TYR A 94 -5.662 -5.307 -7.360 1.00 0.45 O ATOM 1351 CB TYR A 94 -6.432 -3.216 -9.816 1.00 0.53 C ATOM 1352 CG TYR A 94 -7.792 -3.589 -9.256 1.00 0.64 C ATOM 1353 CD1 TYR A 94 -8.508 -2.640 -8.511 1.00 2.20 C ATOM 1354 CD2 TYR A 94 -8.290 -4.901 -9.377 1.00 2.20 C ATOM 1355 CE1 TYR A 94 -9.719 -2.991 -7.898 1.00 2.54 C ATOM 1356 CE2 TYR A 94 -9.495 -5.258 -8.746 1.00 2.28 C ATOM 1357 CZ TYR A 94 -10.214 -4.297 -8.015 1.00 1.53 C ATOM 1358 OH TYR A 94 -11.419 -4.594 -7.460 1.00 2.03 O ATOM 0 H TYR A 94 -4.117 -2.510 -10.269 1.00 0.59 H new ATOM 0 HA TYR A 94 -5.462 -2.848 -7.926 1.00 0.49 H new ATOM 0 HB2 TYR A 94 -6.442 -2.167 -10.112 1.00 0.53 H new ATOM 0 HB3 TYR A 94 -6.244 -3.800 -10.717 1.00 0.53 H new ATOM 0 HD1 TYR A 94 -8.125 -1.635 -8.409 1.00 2.20 H new ATOM 0 HD2 TYR A 94 -7.746 -5.633 -9.955 1.00 2.20 H new ATOM 0 HE1 TYR A 94 -10.271 -2.254 -7.335 1.00 2.54 H new ATOM 0 HE2 TYR A 94 -9.867 -6.269 -8.823 1.00 2.28 H new ATOM 0 HH TYR A 94 -12.133 -4.386 -8.098 1.00 2.03 H new ATOM 1368 N THR A 95 -4.744 -5.749 -9.357 1.00 0.55 N ATOM 1369 CA THR A 95 -4.560 -7.167 -9.124 1.00 0.59 C ATOM 1370 C THR A 95 -3.904 -7.400 -7.761 1.00 0.56 C ATOM 1371 O THR A 95 -4.385 -8.216 -6.987 1.00 0.63 O ATOM 1372 CB THR A 95 -3.701 -7.724 -10.268 1.00 0.70 C ATOM 1373 OG1 THR A 95 -2.576 -6.883 -10.474 1.00 0.89 O ATOM 1374 CG2 THR A 95 -4.493 -7.775 -11.579 1.00 0.73 C ATOM 0 H THR A 95 -4.446 -5.444 -10.284 1.00 0.55 H new ATOM 0 HA THR A 95 -5.520 -7.684 -9.107 1.00 0.59 H new ATOM 0 HB THR A 95 -3.391 -8.731 -9.989 1.00 0.70 H new ATOM 0 HG1 THR A 95 -2.029 -7.242 -11.203 1.00 0.89 H new ATOM 0 HG21 THR A 95 -3.860 -8.174 -12.371 1.00 0.73 H new ATOM 0 HG22 THR A 95 -5.364 -8.418 -11.453 1.00 0.73 H new ATOM 0 HG23 THR A 95 -4.819 -6.770 -11.846 1.00 0.73 H new ATOM 1382 N GLN A 96 -2.820 -6.684 -7.457 1.00 0.54 N ATOM 1383 CA GLN A 96 -2.082 -6.865 -6.221 1.00 0.56 C ATOM 1384 C GLN A 96 -2.913 -6.403 -5.018 1.00 0.56 C ATOM 1385 O GLN A 96 -2.853 -7.023 -3.960 1.00 0.68 O ATOM 1386 CB GLN A 96 -0.737 -6.133 -6.323 1.00 0.67 C ATOM 1387 CG GLN A 96 0.189 -6.404 -5.136 1.00 0.97 C ATOM 1388 CD GLN A 96 0.457 -7.895 -4.955 1.00 1.10 C ATOM 1389 OE1 GLN A 96 1.283 -8.475 -5.659 1.00 2.17 O ATOM 1390 NE2 GLN A 96 -0.280 -8.537 -4.058 1.00 0.92 N ATOM 0 H GLN A 96 -2.434 -5.963 -8.067 1.00 0.54 H new ATOM 0 HA GLN A 96 -1.878 -7.924 -6.064 1.00 0.56 H new ATOM 0 HB2 GLN A 96 -0.236 -6.435 -7.243 1.00 0.67 H new ATOM 0 HB3 GLN A 96 -0.919 -5.061 -6.396 1.00 0.67 H new ATOM 0 HG2 GLN A 96 1.133 -5.880 -5.285 1.00 0.97 H new ATOM 0 HG3 GLN A 96 -0.258 -6.002 -4.227 1.00 0.97 H new ATOM 0 HE21 GLN A 96 -0.955 -8.024 -3.491 1.00 0.92 H new ATOM 0 HE22 GLN A 96 -0.171 -9.544 -3.935 1.00 0.92 H new ATOM 1399 N VAL A 97 -3.672 -5.318 -5.183 1.00 0.50 N ATOM 1400 CA VAL A 97 -4.558 -4.779 -4.153 1.00 0.49 C ATOM 1401 C VAL A 97 -5.629 -5.808 -3.796 1.00 0.49 C ATOM 1402 O VAL A 97 -5.933 -6.041 -2.629 1.00 0.59 O ATOM 1403 CB VAL A 97 -5.182 -3.463 -4.658 1.00 0.48 C ATOM 1404 CG1 VAL A 97 -6.225 -2.867 -3.706 1.00 0.47 C ATOM 1405 CG2 VAL A 97 -4.070 -2.436 -4.860 1.00 0.58 C ATOM 0 H VAL A 97 -3.688 -4.782 -6.050 1.00 0.50 H new ATOM 0 HA VAL A 97 -3.991 -4.565 -3.247 1.00 0.49 H new ATOM 0 HB VAL A 97 -5.698 -3.700 -5.589 1.00 0.48 H new ATOM 0 HG11 VAL A 97 -6.619 -1.943 -4.130 1.00 0.47 H new ATOM 0 HG12 VAL A 97 -7.039 -3.578 -3.567 1.00 0.47 H new ATOM 0 HG13 VAL A 97 -5.760 -2.655 -2.743 1.00 0.47 H new ATOM 0 HG21 VAL A 97 -4.500 -1.500 -5.217 1.00 0.58 H new ATOM 0 HG22 VAL A 97 -3.559 -2.262 -3.913 1.00 0.58 H new ATOM 0 HG23 VAL A 97 -3.357 -2.811 -5.594 1.00 0.58 H new ATOM 1415 N VAL A 98 -6.200 -6.437 -4.816 1.00 0.44 N ATOM 1416 CA VAL A 98 -7.312 -7.353 -4.664 1.00 0.48 C ATOM 1417 C VAL A 98 -6.830 -8.750 -4.284 1.00 0.58 C ATOM 1418 O VAL A 98 -7.546 -9.485 -3.605 1.00 0.90 O ATOM 1419 CB VAL A 98 -8.177 -7.280 -5.943 1.00 0.46 C ATOM 1420 CG1 VAL A 98 -8.183 -8.554 -6.788 1.00 0.58 C ATOM 1421 CG2 VAL A 98 -9.617 -6.938 -5.564 1.00 0.48 C ATOM 0 H VAL A 98 -5.896 -6.320 -5.783 1.00 0.44 H new ATOM 0 HA VAL A 98 -7.952 -7.065 -3.830 1.00 0.48 H new ATOM 0 HB VAL A 98 -7.721 -6.505 -6.560 1.00 0.46 H new ATOM 0 HG11 VAL A 98 -8.816 -8.407 -7.663 1.00 0.58 H new ATOM 0 HG12 VAL A 98 -7.167 -8.782 -7.110 1.00 0.58 H new ATOM 0 HG13 VAL A 98 -8.570 -9.382 -6.195 1.00 0.58 H new ATOM 0 HG21 VAL A 98 -10.228 -6.886 -6.465 1.00 0.48 H new ATOM 0 HG22 VAL A 98 -10.012 -7.709 -4.902 1.00 0.48 H new ATOM 0 HG23 VAL A 98 -9.640 -5.975 -5.054 1.00 0.48 H new ATOM 1431 N TRP A 99 -5.600 -9.073 -4.678 1.00 0.47 N ATOM 1432 CA TRP A 99 -5.018 -10.399 -4.757 1.00 0.49 C ATOM 1433 C TRP A 99 -5.527 -11.318 -3.658 1.00 0.50 C ATOM 1434 O TRP A 99 -5.116 -11.164 -2.510 1.00 0.53 O ATOM 1435 CB TRP A 99 -3.494 -10.291 -4.686 1.00 0.54 C ATOM 1436 CG TRP A 99 -2.791 -11.491 -5.213 1.00 0.60 C ATOM 1437 CD1 TRP A 99 -2.241 -12.475 -4.471 1.00 0.72 C ATOM 1438 CD2 TRP A 99 -2.571 -11.858 -6.606 1.00 0.64 C ATOM 1439 NE1 TRP A 99 -1.694 -13.415 -5.311 1.00 0.79 N ATOM 1440 CE2 TRP A 99 -1.870 -13.094 -6.637 1.00 0.75 C ATOM 1441 CE3 TRP A 99 -2.848 -11.249 -7.849 1.00 0.66 C ATOM 1442 CZ2 TRP A 99 -1.452 -13.686 -7.836 1.00 0.85 C ATOM 1443 CZ3 TRP A 99 -2.489 -11.867 -9.061 1.00 0.78 C ATOM 1444 CH2 TRP A 99 -1.779 -13.078 -9.054 1.00 0.85 C ATOM 0 H TRP A 99 -4.938 -8.354 -4.972 1.00 0.47 H new ATOM 0 HA TRP A 99 -5.319 -10.838 -5.708 1.00 0.49 H new ATOM 0 HB2 TRP A 99 -3.173 -9.415 -5.249 1.00 0.54 H new ATOM 0 HB3 TRP A 99 -3.197 -10.131 -3.650 1.00 0.54 H new ATOM 0 HD1 TRP A 99 -2.232 -12.517 -3.392 1.00 0.72 H new ATOM 0 HE1 TRP A 99 -1.213 -14.254 -4.988 1.00 0.79 H new ATOM 0 HE3 TRP A 99 -3.345 -10.290 -7.870 1.00 0.66 H new ATOM 0 HZ2 TRP A 99 -0.882 -14.603 -7.821 1.00 0.85 H new ATOM 0 HZ3 TRP A 99 -2.761 -11.408 -10.000 1.00 0.78 H new ATOM 0 HH2 TRP A 99 -1.486 -13.539 -9.985 1.00 0.85 H new ATOM 1455 N ARG A 100 -6.432 -12.245 -3.962 1.00 0.55 N ATOM 1456 CA ARG A 100 -7.138 -13.002 -2.944 1.00 0.65 C ATOM 1457 C ARG A 100 -6.162 -13.737 -2.034 1.00 0.70 C ATOM 1458 O ARG A 100 -6.405 -13.827 -0.832 1.00 0.79 O ATOM 1459 CB ARG A 100 -8.190 -13.928 -3.570 1.00 0.89 C ATOM 1460 CG ARG A 100 -9.115 -14.515 -2.491 1.00 1.34 C ATOM 1461 CD ARG A 100 -8.694 -15.905 -2.007 1.00 1.85 C ATOM 1462 NE ARG A 100 -9.481 -16.307 -0.829 1.00 3.28 N ATOM 1463 CZ ARG A 100 -9.193 -16.011 0.450 1.00 4.80 C ATOM 1464 NH1 ARG A 100 -8.190 -15.188 0.754 1.00 5.45 N ATOM 1465 NH2 ARG A 100 -9.918 -16.528 1.437 1.00 6.25 N ATOM 0 H ARG A 100 -6.692 -12.488 -4.918 1.00 0.55 H new ATOM 0 HA ARG A 100 -7.685 -12.303 -2.311 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -8.781 -13.373 -4.299 1.00 0.89 H new ATOM 0 HB3 ARG A 100 -7.695 -14.736 -4.109 1.00 0.89 H new ATOM 0 HG2 ARG A 100 -9.141 -13.836 -1.639 1.00 1.34 H new ATOM 0 HG3 ARG A 100 -10.130 -14.570 -2.886 1.00 1.34 H new ATOM 0 HD2 ARG A 100 -8.832 -16.631 -2.808 1.00 1.85 H new ATOM 0 HD3 ARG A 100 -7.633 -15.903 -1.758 1.00 1.85 H new ATOM 0 HE ARG A 100 -10.321 -16.860 -0.999 1.00 3.28 H new ATOM 0 HH11 ARG A 100 -7.628 -14.773 0.011 1.00 5.45 H new ATOM 0 HH12 ARG A 100 -7.984 -14.973 1.730 1.00 5.45 H new ATOM 0 HH21 ARG A 100 -10.696 -17.152 1.225 1.00 6.25 H new ATOM 0 HH22 ARG A 100 -9.696 -16.301 2.406 1.00 6.25 H new ATOM 1479 N ASN A 101 -5.050 -14.237 -2.576 1.00 0.72 N ATOM 1480 CA ASN A 101 -4.081 -14.956 -1.753 1.00 0.82 C ATOM 1481 C ASN A 101 -3.435 -14.053 -0.699 1.00 0.95 C ATOM 1482 O ASN A 101 -2.951 -14.550 0.311 1.00 1.58 O ATOM 1483 CB ASN A 101 -3.008 -15.670 -2.595 1.00 0.96 C ATOM 1484 CG ASN A 101 -2.655 -17.016 -1.962 1.00 1.54 C ATOM 1485 OD1 ASN A 101 -2.817 -18.048 -2.604 1.00 1.74 O ATOM 1486 ND2 ASN A 101 -2.245 -17.044 -0.703 1.00 2.60 N ATOM 0 H ASN A 101 -4.802 -14.159 -3.562 1.00 0.72 H new ATOM 0 HA ASN A 101 -4.648 -15.725 -1.228 1.00 0.82 H new ATOM 0 HB2 ASN A 101 -3.373 -15.821 -3.611 1.00 0.96 H new ATOM 0 HB3 ASN A 101 -2.116 -15.047 -2.666 1.00 0.96 H new ATOM 0 HD21 ASN A 101 -2.057 -17.937 -0.248 1.00 2.60 H new ATOM 0 HD22 ASN A 101 -2.117 -16.172 -0.189 1.00 2.60 H new ATOM 1493 N SER A 102 -3.421 -12.731 -0.903 1.00 0.74 N ATOM 1494 CA SER A 102 -2.727 -11.819 -0.007 1.00 0.77 C ATOM 1495 C SER A 102 -3.672 -11.541 1.150 1.00 0.80 C ATOM 1496 O SER A 102 -4.576 -10.712 1.055 1.00 1.13 O ATOM 1497 CB SER A 102 -2.316 -10.526 -0.726 1.00 0.90 C ATOM 1498 OG SER A 102 -1.342 -9.829 0.030 1.00 2.23 O ATOM 0 H SER A 102 -3.887 -12.274 -1.687 1.00 0.74 H new ATOM 0 HA SER A 102 -1.799 -12.263 0.353 1.00 0.77 H new ATOM 0 HB2 SER A 102 -1.919 -10.762 -1.713 1.00 0.90 H new ATOM 0 HB3 SER A 102 -3.190 -9.893 -0.877 1.00 0.90 H new ATOM 0 HG SER A 102 -1.741 -9.515 0.868 1.00 2.23 H new ATOM 1504 N VAL A 103 -3.480 -12.273 2.237 1.00 0.73 N ATOM 1505 CA VAL A 103 -4.226 -12.087 3.468 1.00 0.73 C ATOM 1506 C VAL A 103 -3.463 -11.156 4.417 1.00 0.68 C ATOM 1507 O VAL A 103 -4.013 -10.728 5.429 1.00 0.80 O ATOM 1508 CB VAL A 103 -4.572 -13.457 4.074 1.00 0.77 C ATOM 1509 CG1 VAL A 103 -5.543 -14.203 3.152 1.00 0.85 C ATOM 1510 CG2 VAL A 103 -3.337 -14.336 4.310 1.00 0.75 C ATOM 0 H VAL A 103 -2.791 -13.023 2.287 1.00 0.73 H new ATOM 0 HA VAL A 103 -5.175 -11.590 3.269 1.00 0.73 H new ATOM 0 HB VAL A 103 -5.029 -13.263 5.044 1.00 0.77 H new ATOM 0 HG11 VAL A 103 -5.785 -15.173 3.586 1.00 0.85 H new ATOM 0 HG12 VAL A 103 -6.456 -13.619 3.037 1.00 0.85 H new ATOM 0 HG13 VAL A 103 -5.079 -14.348 2.176 1.00 0.85 H new ATOM 0 HG21 VAL A 103 -3.646 -15.289 4.739 1.00 0.75 H new ATOM 0 HG22 VAL A 103 -2.829 -14.512 3.362 1.00 0.75 H new ATOM 0 HG23 VAL A 103 -2.658 -13.832 4.997 1.00 0.75 H new ATOM 1520 N ARG A 104 -2.217 -10.819 4.084 1.00 0.68 N ATOM 1521 CA ARG A 104 -1.450 -9.769 4.732 1.00 0.64 C ATOM 1522 C ARG A 104 -1.427 -8.544 3.820 1.00 0.71 C ATOM 1523 O ARG A 104 -1.621 -8.665 2.607 1.00 1.00 O ATOM 1524 CB ARG A 104 0.003 -10.217 4.915 1.00 0.66 C ATOM 1525 CG ARG A 104 0.260 -11.242 6.020 1.00 1.08 C ATOM 1526 CD ARG A 104 -0.147 -12.682 5.684 1.00 1.96 C ATOM 1527 NE ARG A 104 1.005 -13.579 5.519 1.00 2.35 N ATOM 1528 CZ ARG A 104 1.939 -13.865 6.437 1.00 2.65 C ATOM 1529 NH1 ARG A 104 1.897 -13.311 7.647 1.00 2.91 N ATOM 1530 NH2 ARG A 104 2.923 -14.695 6.121 1.00 3.67 N ATOM 0 H ARG A 104 -1.704 -11.285 3.335 1.00 0.68 H new ATOM 0 HA ARG A 104 -1.905 -9.546 5.697 1.00 0.64 H new ATOM 0 HB2 ARG A 104 0.354 -10.635 3.972 1.00 0.66 H new ATOM 0 HB3 ARG A 104 0.610 -9.335 5.118 1.00 0.66 H new ATOM 0 HG2 ARG A 104 1.322 -11.230 6.265 1.00 1.08 H new ATOM 0 HG3 ARG A 104 -0.277 -10.929 6.915 1.00 1.08 H new ATOM 0 HD2 ARG A 104 -0.790 -13.067 6.476 1.00 1.96 H new ATOM 0 HD3 ARG A 104 -0.736 -12.683 4.767 1.00 1.96 H new ATOM 0 HE ARG A 104 1.104 -14.032 4.610 1.00 2.35 H new ATOM 0 HH11 ARG A 104 1.148 -12.661 7.884 1.00 2.91 H new ATOM 0 HH12 ARG A 104 2.614 -13.537 8.337 1.00 2.91 H new ATOM 0 HH21 ARG A 104 2.963 -15.107 5.189 1.00 3.67 H new ATOM 0 HH22 ARG A 104 3.640 -14.921 6.810 1.00 3.67 H new ATOM 1544 N LEU A 105 -1.109 -7.394 4.407 1.00 0.52 N ATOM 1545 CA LEU A 105 -0.771 -6.154 3.732 1.00 0.47 C ATOM 1546 C LEU A 105 0.070 -5.354 4.718 1.00 0.48 C ATOM 1547 O LEU A 105 -0.269 -5.328 5.896 1.00 0.70 O ATOM 1548 CB LEU A 105 -2.083 -5.411 3.439 1.00 0.54 C ATOM 1549 CG LEU A 105 -1.905 -4.007 2.844 1.00 0.60 C ATOM 1550 CD1 LEU A 105 -1.438 -4.122 1.397 1.00 1.67 C ATOM 1551 CD2 LEU A 105 -3.234 -3.247 2.875 1.00 2.05 C ATOM 0 H LEU A 105 -1.080 -7.302 5.422 1.00 0.52 H new ATOM 0 HA LEU A 105 -0.230 -6.311 2.799 1.00 0.47 H new ATOM 0 HB2 LEU A 105 -2.678 -6.010 2.750 1.00 0.54 H new ATOM 0 HB3 LEU A 105 -2.653 -5.329 4.364 1.00 0.54 H new ATOM 0 HG LEU A 105 -1.165 -3.468 3.435 1.00 0.60 H new ATOM 0 HD11 LEU A 105 -1.312 -3.125 0.975 1.00 1.67 H new ATOM 0 HD12 LEU A 105 -0.487 -4.654 1.363 1.00 1.67 H new ATOM 0 HD13 LEU A 105 -2.181 -4.670 0.817 1.00 1.67 H new ATOM 0 HD21 LEU A 105 -3.095 -2.253 2.450 1.00 2.05 H new ATOM 0 HD22 LEU A 105 -3.977 -3.790 2.291 1.00 2.05 H new ATOM 0 HD23 LEU A 105 -3.577 -3.156 3.906 1.00 2.05 H new ATOM 1563 N GLY A 106 1.137 -4.688 4.290 1.00 0.46 N ATOM 1564 CA GLY A 106 1.839 -3.776 5.176 1.00 0.45 C ATOM 1565 C GLY A 106 2.579 -2.748 4.349 1.00 0.44 C ATOM 1566 O GLY A 106 3.307 -3.098 3.422 1.00 0.52 O ATOM 0 H GLY A 106 1.527 -4.762 3.351 1.00 0.46 H new ATOM 0 HA2 GLY A 106 1.132 -3.283 5.843 1.00 0.45 H new ATOM 0 HA3 GLY A 106 2.539 -4.327 5.804 1.00 0.45 H new ATOM 1570 N CYS A 107 2.353 -1.471 4.649 1.00 0.44 N ATOM 1571 CA CYS A 107 2.767 -0.366 3.808 1.00 0.46 C ATOM 1572 C CYS A 107 3.592 0.636 4.604 1.00 0.43 C ATOM 1573 O CYS A 107 3.662 0.562 5.832 1.00 0.57 O ATOM 1574 CB CYS A 107 1.553 0.325 3.179 1.00 0.62 C ATOM 1575 SG CYS A 107 0.256 -0.671 2.385 1.00 1.11 S ATOM 0 H CYS A 107 1.869 -1.177 5.498 1.00 0.44 H new ATOM 0 HA CYS A 107 3.388 -0.767 3.007 1.00 0.46 H new ATOM 0 HB2 CYS A 107 1.076 0.917 3.960 1.00 0.62 H new ATOM 0 HB3 CYS A 107 1.928 1.025 2.432 1.00 0.62 H new ATOM 1580 N GLY A 108 4.218 1.570 3.891 1.00 0.44 N ATOM 1581 CA GLY A 108 5.037 2.630 4.447 1.00 0.58 C ATOM 1582 C GLY A 108 4.858 3.890 3.607 1.00 0.67 C ATOM 1583 O GLY A 108 4.152 3.867 2.594 1.00 1.34 O ATOM 0 H GLY A 108 4.163 1.605 2.873 1.00 0.44 H new ATOM 0 HA2 GLY A 108 4.751 2.823 5.481 1.00 0.58 H new ATOM 0 HA3 GLY A 108 6.085 2.330 4.457 1.00 0.58 H new ATOM 1587 N ARG A 109 5.496 4.986 4.015 1.00 0.58 N ATOM 1588 CA ARG A 109 5.377 6.289 3.381 1.00 0.56 C ATOM 1589 C ARG A 109 6.613 7.111 3.738 1.00 0.65 C ATOM 1590 O ARG A 109 6.728 7.559 4.878 1.00 1.15 O ATOM 1591 CB ARG A 109 4.078 6.954 3.864 1.00 0.77 C ATOM 1592 CG ARG A 109 3.824 8.311 3.197 1.00 0.71 C ATOM 1593 CD ARG A 109 2.392 8.764 3.508 1.00 1.22 C ATOM 1594 NE ARG A 109 2.043 10.021 2.826 1.00 1.68 N ATOM 1595 CZ ARG A 109 2.005 11.234 3.400 1.00 2.47 C ATOM 1596 NH1 ARG A 109 2.572 11.451 4.589 1.00 2.98 N ATOM 1597 NH2 ARG A 109 1.387 12.217 2.752 1.00 3.41 N ATOM 0 H ARG A 109 6.126 4.987 4.817 1.00 0.58 H new ATOM 0 HA ARG A 109 5.326 6.206 2.295 1.00 0.56 H new ATOM 0 HB2 ARG A 109 3.238 6.291 3.660 1.00 0.77 H new ATOM 0 HB3 ARG A 109 4.123 7.088 4.945 1.00 0.77 H new ATOM 0 HG2 ARG A 109 4.539 9.049 3.561 1.00 0.71 H new ATOM 0 HG3 ARG A 109 3.968 8.233 2.119 1.00 0.71 H new ATOM 0 HD2 ARG A 109 1.693 7.984 3.207 1.00 1.22 H new ATOM 0 HD3 ARG A 109 2.280 8.894 4.584 1.00 1.22 H new ATOM 0 HE ARG A 109 1.811 9.966 1.834 1.00 1.68 H new ATOM 0 HH11 ARG A 109 3.044 10.689 5.076 1.00 2.98 H new ATOM 0 HH12 ARG A 109 2.534 12.379 5.011 1.00 2.98 H new ATOM 0 HH21 ARG A 109 0.958 12.039 1.844 1.00 3.41 H new ATOM 0 HH22 ARG A 109 1.342 13.149 3.163 1.00 3.41 H new ATOM 1611 N ALA A 110 7.548 7.286 2.806 1.00 0.44 N ATOM 1612 CA ALA A 110 8.719 8.136 2.993 1.00 0.50 C ATOM 1613 C ALA A 110 8.584 9.344 2.078 1.00 0.55 C ATOM 1614 O ALA A 110 7.924 9.258 1.042 1.00 0.71 O ATOM 1615 CB ALA A 110 10.000 7.354 2.695 1.00 0.60 C ATOM 0 H ALA A 110 7.512 6.836 1.891 1.00 0.44 H new ATOM 0 HA ALA A 110 8.780 8.472 4.028 1.00 0.50 H new ATOM 0 HB1 ALA A 110 10.864 8.003 2.839 1.00 0.60 H new ATOM 0 HB2 ALA A 110 10.070 6.500 3.369 1.00 0.60 H new ATOM 0 HB3 ALA A 110 9.979 7.001 1.664 1.00 0.60 H new ATOM 1621 N ARG A 111 9.187 10.470 2.460 1.00 0.54 N ATOM 1622 CA ARG A 111 9.243 11.634 1.595 1.00 0.60 C ATOM 1623 C ARG A 111 10.547 11.578 0.791 1.00 0.67 C ATOM 1624 O ARG A 111 11.528 11.000 1.261 1.00 0.96 O ATOM 1625 CB ARG A 111 9.057 12.922 2.404 1.00 0.72 C ATOM 1626 CG ARG A 111 8.823 14.103 1.452 1.00 0.89 C ATOM 1627 CD ARG A 111 8.168 15.306 2.134 1.00 1.48 C ATOM 1628 NE ARG A 111 8.031 16.399 1.164 1.00 2.42 N ATOM 1629 CZ ARG A 111 7.377 17.550 1.364 1.00 3.29 C ATOM 1630 NH1 ARG A 111 6.889 17.859 2.563 1.00 3.67 N ATOM 1631 NH2 ARG A 111 7.210 18.394 0.351 1.00 4.47 N ATOM 0 H ARG A 111 9.642 10.594 3.364 1.00 0.54 H new ATOM 0 HA ARG A 111 8.420 11.632 0.881 1.00 0.60 H new ATOM 0 HB2 ARG A 111 8.211 12.817 3.083 1.00 0.72 H new ATOM 0 HB3 ARG A 111 9.938 13.107 3.019 1.00 0.72 H new ATOM 0 HG2 ARG A 111 9.777 14.411 1.024 1.00 0.89 H new ATOM 0 HG3 ARG A 111 8.194 13.775 0.625 1.00 0.89 H new ATOM 0 HD2 ARG A 111 7.190 15.028 2.526 1.00 1.48 H new ATOM 0 HD3 ARG A 111 8.771 15.631 2.982 1.00 1.48 H new ATOM 0 HE ARG A 111 8.474 16.270 0.255 1.00 2.42 H new ATOM 0 HH11 ARG A 111 7.011 17.215 3.345 1.00 3.67 H new ATOM 0 HH12 ARG A 111 6.393 18.740 2.700 1.00 3.67 H new ATOM 0 HH21 ARG A 111 7.579 18.163 -0.571 1.00 4.47 H new ATOM 0 HH22 ARG A 111 6.713 19.273 0.496 1.00 4.47 H new ATOM 1645 N CYS A 112 10.559 12.119 -0.425 1.00 1.07 N ATOM 1646 CA CYS A 112 11.701 12.091 -1.326 1.00 1.10 C ATOM 1647 C CYS A 112 11.797 13.319 -2.209 1.00 1.55 C ATOM 1648 O CYS A 112 10.855 14.098 -2.338 1.00 1.82 O ATOM 1649 CB CYS A 112 11.673 10.893 -2.274 1.00 1.05 C ATOM 1650 SG CYS A 112 11.332 9.249 -1.661 1.00 1.63 S ATOM 0 H CYS A 112 9.751 12.601 -0.818 1.00 1.07 H new ATOM 0 HA CYS A 112 12.556 12.038 -0.652 1.00 1.10 H new ATOM 0 HB2 CYS A 112 10.930 11.109 -3.041 1.00 1.05 H new ATOM 0 HB3 CYS A 112 12.642 10.855 -2.771 1.00 1.05 H new ATOM 1655 N ASN A 113 12.933 13.400 -2.901 1.00 1.88 N ATOM 1656 CA ASN A 113 13.228 14.399 -3.913 1.00 2.58 C ATOM 1657 C ASN A 113 12.239 14.335 -5.086 1.00 2.84 C ATOM 1658 O ASN A 113 11.712 15.370 -5.486 1.00 3.48 O ATOM 1659 CB ASN A 113 14.688 14.274 -4.383 1.00 2.81 C ATOM 1660 CG ASN A 113 14.899 13.127 -5.362 1.00 3.81 C ATOM 1661 OD1 ASN A 113 14.876 13.342 -6.565 1.00 5.15 O ATOM 1662 ND2 ASN A 113 15.021 11.897 -4.875 1.00 4.32 N ATOM 0 H ASN A 113 13.700 12.742 -2.762 1.00 1.88 H new ATOM 0 HA ASN A 113 13.105 15.383 -3.461 1.00 2.58 H new ATOM 0 HB2 ASN A 113 14.994 15.208 -4.854 1.00 2.81 H new ATOM 0 HB3 ASN A 113 15.332 14.128 -3.516 1.00 2.81 H new ATOM 0 HD21 ASN A 113 15.098 11.102 -5.510 1.00 4.32 H new ATOM 0 HD22 ASN A 113 15.037 11.747 -3.866 1.00 4.32 H new ATOM 1669 N ASN A 114 11.988 13.154 -5.662 1.00 2.65 N ATOM 1670 CA ASN A 114 11.229 13.005 -6.913 1.00 3.17 C ATOM 1671 C ASN A 114 10.247 11.834 -6.881 1.00 4.08 C ATOM 1672 O ASN A 114 9.597 11.543 -7.880 1.00 4.83 O ATOM 1673 CB ASN A 114 12.168 12.829 -8.107 1.00 2.64 C ATOM 1674 CG ASN A 114 12.883 11.486 -8.065 1.00 2.76 C ATOM 1675 OD1 ASN A 114 12.916 10.834 -7.028 1.00 3.04 O ATOM 1676 ND2 ASN A 114 13.419 11.034 -9.189 1.00 3.54 N ATOM 0 H ASN A 114 12.307 12.267 -5.272 1.00 2.65 H new ATOM 0 HA ASN A 114 10.654 13.925 -7.020 1.00 3.17 H new ATOM 0 HB2 ASN A 114 11.599 12.910 -9.033 1.00 2.64 H new ATOM 0 HB3 ASN A 114 12.904 13.633 -8.114 1.00 2.64 H new ATOM 0 HD21 ASN A 114 13.874 10.121 -9.206 1.00 3.54 H new ATOM 0 HD22 ASN A 114 13.377 11.599 -10.037 1.00 3.54 H new ATOM 1683 N GLY A 115 10.124 11.162 -5.742 1.00 4.25 N ATOM 1684 CA GLY A 115 8.955 10.355 -5.435 1.00 5.22 C ATOM 1685 C GLY A 115 7.980 11.181 -4.596 1.00 3.85 C ATOM 1686 O GLY A 115 6.842 10.765 -4.377 1.00 4.47 O ATOM 0 H GLY A 115 10.832 11.163 -5.008 1.00 4.25 H new ATOM 0 HA2 GLY A 115 8.473 10.027 -6.356 1.00 5.22 H new ATOM 0 HA3 GLY A 115 9.250 9.457 -4.892 1.00 5.22 H new ATOM 1690 N TRP A 116 8.426 12.357 -4.136 1.00 2.07 N ATOM 1691 CA TRP A 116 7.737 13.221 -3.210 1.00 0.93 C ATOM 1692 C TRP A 116 7.192 12.383 -2.060 1.00 0.87 C ATOM 1693 O TRP A 116 8.009 11.818 -1.343 1.00 1.07 O ATOM 1694 CB TRP A 116 6.786 14.066 -4.020 1.00 1.40 C ATOM 1695 CG TRP A 116 7.452 14.854 -5.099 1.00 1.29 C ATOM 1696 CD1 TRP A 116 8.136 16.004 -4.924 1.00 1.67 C ATOM 1697 CD2 TRP A 116 7.588 14.518 -6.508 1.00 1.27 C ATOM 1698 NE1 TRP A 116 8.644 16.428 -6.132 1.00 1.88 N ATOM 1699 CE2 TRP A 116 8.352 15.540 -7.146 1.00 1.51 C ATOM 1700 CE3 TRP A 116 7.168 13.432 -7.302 1.00 1.57 C ATOM 1701 CZ2 TRP A 116 8.668 15.495 -8.511 1.00 1.69 C ATOM 1702 CZ3 TRP A 116 7.520 13.355 -8.659 1.00 1.72 C ATOM 1703 CH2 TRP A 116 8.245 14.390 -9.268 1.00 1.65 C ATOM 0 H TRP A 116 9.327 12.738 -4.424 1.00 2.07 H new ATOM 0 HA TRP A 116 8.364 13.944 -2.688 1.00 0.93 H new ATOM 0 HB2 TRP A 116 6.031 13.420 -4.468 1.00 1.40 H new ATOM 0 HB3 TRP A 116 6.264 14.751 -3.352 1.00 1.40 H new ATOM 0 HD1 TRP A 116 8.265 16.514 -3.981 1.00 1.67 H new ATOM 0 HE1 TRP A 116 9.171 17.292 -6.261 1.00 1.88 H new ATOM 0 HE3 TRP A 116 6.568 12.650 -6.861 1.00 1.57 H new ATOM 0 HZ2 TRP A 116 9.227 16.296 -8.972 1.00 1.69 H new ATOM 0 HZ3 TRP A 116 7.230 12.491 -9.239 1.00 1.72 H new ATOM 0 HH2 TRP A 116 8.478 14.337 -10.321 1.00 1.65 H new ATOM 1714 N TRP A 117 5.884 12.203 -1.906 1.00 0.85 N ATOM 1715 CA TRP A 117 5.386 11.249 -0.925 1.00 0.96 C ATOM 1716 C TRP A 117 5.411 9.871 -1.575 1.00 0.95 C ATOM 1717 O TRP A 117 4.454 9.466 -2.232 1.00 1.38 O ATOM 1718 CB TRP A 117 3.993 11.638 -0.421 1.00 1.06 C ATOM 1719 CG TRP A 117 3.988 12.781 0.546 1.00 1.17 C ATOM 1720 CD1 TRP A 117 3.468 14.011 0.342 1.00 1.43 C ATOM 1721 CD2 TRP A 117 4.564 12.816 1.884 1.00 1.15 C ATOM 1722 NE1 TRP A 117 3.678 14.796 1.453 1.00 1.51 N ATOM 1723 CE2 TRP A 117 4.339 14.108 2.444 1.00 1.37 C ATOM 1724 CE3 TRP A 117 5.252 11.878 2.681 1.00 1.06 C ATOM 1725 CZ2 TRP A 117 4.768 14.452 3.733 1.00 1.48 C ATOM 1726 CZ3 TRP A 117 5.702 12.221 3.968 1.00 1.21 C ATOM 1727 CH2 TRP A 117 5.455 13.499 4.499 1.00 1.41 C ATOM 0 H TRP A 117 5.164 12.694 -2.436 1.00 0.85 H new ATOM 0 HA TRP A 117 6.020 11.243 -0.038 1.00 0.96 H new ATOM 0 HB2 TRP A 117 3.369 11.897 -1.276 1.00 1.06 H new ATOM 0 HB3 TRP A 117 3.536 10.771 0.056 1.00 1.06 H new ATOM 0 HD1 TRP A 117 2.963 14.330 -0.558 1.00 1.43 H new ATOM 0 HE1 TRP A 117 3.380 15.768 1.532 1.00 1.51 H new ATOM 0 HE3 TRP A 117 5.435 10.885 2.298 1.00 1.06 H new ATOM 0 HZ2 TRP A 117 4.572 15.437 4.131 1.00 1.48 H new ATOM 0 HZ3 TRP A 117 6.244 11.494 4.555 1.00 1.21 H new ATOM 0 HH2 TRP A 117 5.793 13.746 5.494 1.00 1.41 H new ATOM 1738 N PHE A 118 6.526 9.172 -1.388 1.00 0.65 N ATOM 1739 CA PHE A 118 6.754 7.838 -1.899 1.00 0.56 C ATOM 1740 C PHE A 118 6.148 6.831 -0.935 1.00 0.43 C ATOM 1741 O PHE A 118 6.717 6.535 0.120 1.00 0.77 O ATOM 1742 CB PHE A 118 8.250 7.611 -2.079 1.00 0.72 C ATOM 1743 CG PHE A 118 8.614 6.390 -2.903 1.00 0.80 C ATOM 1744 CD1 PHE A 118 8.779 6.491 -4.297 1.00 2.24 C ATOM 1745 CD2 PHE A 118 8.978 5.201 -2.248 1.00 1.77 C ATOM 1746 CE1 PHE A 118 9.514 5.511 -4.985 1.00 2.36 C ATOM 1747 CE2 PHE A 118 9.631 4.178 -2.955 1.00 1.85 C ATOM 1748 CZ PHE A 118 9.940 4.351 -4.315 1.00 1.22 C ATOM 0 H PHE A 118 7.318 9.537 -0.858 1.00 0.65 H new ATOM 0 HA PHE A 118 6.278 7.714 -2.872 1.00 0.56 H new ATOM 0 HB2 PHE A 118 8.683 8.493 -2.551 1.00 0.72 H new ATOM 0 HB3 PHE A 118 8.710 7.518 -1.095 1.00 0.72 H new ATOM 0 HD1 PHE A 118 8.342 7.319 -4.836 1.00 2.24 H new ATOM 0 HD2 PHE A 118 8.755 5.074 -1.199 1.00 1.77 H new ATOM 0 HE1 PHE A 118 9.752 5.649 -6.029 1.00 2.36 H new ATOM 0 HE2 PHE A 118 9.896 3.259 -2.454 1.00 1.85 H new ATOM 0 HZ PHE A 118 10.503 3.596 -4.843 1.00 1.22 H new ATOM 1758 N ILE A 119 4.975 6.323 -1.286 1.00 0.49 N ATOM 1759 CA ILE A 119 4.359 5.220 -0.588 1.00 0.41 C ATOM 1760 C ILE A 119 4.914 3.941 -1.199 1.00 0.40 C ATOM 1761 O ILE A 119 4.792 3.729 -2.405 1.00 0.43 O ATOM 1762 CB ILE A 119 2.829 5.318 -0.689 1.00 0.46 C ATOM 1763 CG1 ILE A 119 2.279 6.389 0.270 1.00 0.60 C ATOM 1764 CG2 ILE A 119 2.170 3.963 -0.410 1.00 0.52 C ATOM 1765 CD1 ILE A 119 2.451 7.812 -0.266 1.00 0.84 C ATOM 0 H ILE A 119 4.425 6.673 -2.071 1.00 0.49 H new ATOM 0 HA ILE A 119 4.588 5.234 0.478 1.00 0.41 H new ATOM 0 HB ILE A 119 2.585 5.614 -1.709 1.00 0.46 H new ATOM 0 HG12 ILE A 119 1.221 6.199 0.450 1.00 0.60 H new ATOM 0 HG13 ILE A 119 2.786 6.304 1.231 1.00 0.60 H new ATOM 0 HG21 ILE A 119 1.087 4.062 -0.488 1.00 0.52 H new ATOM 0 HG22 ILE A 119 2.521 3.231 -1.137 1.00 0.52 H new ATOM 0 HG23 ILE A 119 2.432 3.631 0.594 1.00 0.52 H new ATOM 0 HD11 ILE A 119 2.045 8.523 0.453 1.00 0.84 H new ATOM 0 HD12 ILE A 119 3.510 8.017 -0.420 1.00 0.84 H new ATOM 0 HD13 ILE A 119 1.921 7.911 -1.213 1.00 0.84 H new ATOM 1777 N SER A 120 5.466 3.071 -0.361 1.00 0.57 N ATOM 1778 CA SER A 120 5.774 1.703 -0.730 1.00 0.61 C ATOM 1779 C SER A 120 4.731 0.819 -0.066 1.00 0.52 C ATOM 1780 O SER A 120 4.322 1.130 1.057 1.00 0.48 O ATOM 1781 CB SER A 120 7.171 1.338 -0.224 1.00 0.72 C ATOM 1782 OG SER A 120 8.110 2.281 -0.703 1.00 1.68 O ATOM 0 H SER A 120 5.713 3.302 0.601 1.00 0.57 H new ATOM 0 HA SER A 120 5.759 1.572 -1.812 1.00 0.61 H new ATOM 0 HB2 SER A 120 7.181 1.321 0.866 1.00 0.72 H new ATOM 0 HB3 SER A 120 7.441 0.337 -0.561 1.00 0.72 H new ATOM 0 HG SER A 120 7.810 2.631 -1.568 1.00 1.68 H new ATOM 1788 N CYS A 121 4.314 -0.275 -0.702 1.00 0.63 N ATOM 1789 CA CYS A 121 3.540 -1.274 0.016 1.00 0.63 C ATOM 1790 C CYS A 121 3.918 -2.699 -0.353 1.00 0.59 C ATOM 1791 O CYS A 121 4.148 -2.996 -1.526 1.00 0.88 O ATOM 1792 CB CYS A 121 2.041 -1.029 -0.088 1.00 0.75 C ATOM 1793 SG CYS A 121 1.215 -2.051 1.140 1.00 1.68 S ATOM 0 H CYS A 121 4.494 -0.485 -1.684 1.00 0.63 H new ATOM 0 HA CYS A 121 3.805 -1.157 1.067 1.00 0.63 H new ATOM 0 HB2 CYS A 121 1.816 0.024 0.081 1.00 0.75 H new ATOM 0 HB3 CYS A 121 1.685 -1.275 -1.088 1.00 0.75 H new ATOM 1798 N ASN A 122 4.020 -3.540 0.677 1.00 0.42 N ATOM 1799 CA ASN A 122 4.472 -4.919 0.651 1.00 0.45 C ATOM 1800 C ASN A 122 3.291 -5.811 1.022 1.00 0.44 C ATOM 1801 O ASN A 122 2.371 -5.382 1.724 1.00 0.48 O ATOM 1802 CB ASN A 122 5.620 -5.094 1.654 1.00 0.65 C ATOM 1803 CG ASN A 122 6.970 -4.712 1.063 1.00 1.42 C ATOM 1804 OD1 ASN A 122 7.324 -3.538 0.991 1.00 3.10 O ATOM 1805 ND2 ASN A 122 7.749 -5.701 0.649 1.00 1.28 N ATOM 0 H ASN A 122 3.768 -3.246 1.620 1.00 0.42 H new ATOM 0 HA ASN A 122 4.837 -5.191 -0.339 1.00 0.45 H new ATOM 0 HB2 ASN A 122 5.426 -4.482 2.535 1.00 0.65 H new ATOM 0 HB3 ASN A 122 5.653 -6.131 1.987 1.00 0.65 H new ATOM 0 HD21 ASN A 122 8.669 -5.496 0.258 1.00 1.28 H new ATOM 0 HD22 ASN A 122 7.429 -6.667 0.721 1.00 1.28 H new ATOM 1812 N TYR A 123 3.295 -7.034 0.498 1.00 0.51 N ATOM 1813 CA TYR A 123 2.192 -7.986 0.544 1.00 0.48 C ATOM 1814 C TYR A 123 2.792 -9.355 0.897 1.00 0.61 C ATOM 1815 O TYR A 123 3.975 -9.572 0.618 1.00 0.87 O ATOM 1816 CB TYR A 123 1.494 -7.988 -0.827 1.00 0.50 C ATOM 1817 CG TYR A 123 0.782 -6.688 -1.190 1.00 0.47 C ATOM 1818 CD1 TYR A 123 1.521 -5.537 -1.530 1.00 1.99 C ATOM 1819 CD2 TYR A 123 -0.625 -6.625 -1.200 1.00 1.77 C ATOM 1820 CE1 TYR A 123 0.871 -4.320 -1.789 1.00 1.96 C ATOM 1821 CE2 TYR A 123 -1.275 -5.423 -1.528 1.00 1.80 C ATOM 1822 CZ TYR A 123 -0.528 -4.259 -1.766 1.00 0.49 C ATOM 1823 OH TYR A 123 -1.152 -3.081 -2.041 1.00 0.60 O ATOM 0 H TYR A 123 4.108 -7.405 0.006 1.00 0.51 H new ATOM 0 HA TYR A 123 1.443 -7.727 1.292 1.00 0.48 H new ATOM 0 HB2 TYR A 123 2.236 -8.205 -1.595 1.00 0.50 H new ATOM 0 HB3 TYR A 123 0.768 -8.800 -0.847 1.00 0.50 H new ATOM 0 HD1 TYR A 123 2.598 -5.592 -1.592 1.00 1.99 H new ATOM 0 HD2 TYR A 123 -1.206 -7.502 -0.955 1.00 1.77 H new ATOM 0 HE1 TYR A 123 1.448 -3.433 -2.005 1.00 1.96 H new ATOM 0 HE2 TYR A 123 -2.352 -5.395 -1.597 1.00 1.80 H new ATOM 0 HH TYR A 123 -0.713 -2.649 -2.803 1.00 0.60 H new ATOM 1833 N ASP A 124 2.022 -10.243 1.542 1.00 0.61 N ATOM 1834 CA ASP A 124 2.430 -11.619 1.840 1.00 0.73 C ATOM 1835 C ASP A 124 1.235 -12.558 1.625 1.00 0.60 C ATOM 1836 O ASP A 124 0.140 -12.235 2.104 1.00 0.57 O ATOM 1837 CB ASP A 124 2.995 -11.780 3.255 1.00 1.02 C ATOM 1838 CG ASP A 124 3.758 -13.078 3.383 1.00 1.18 C ATOM 1839 OD1 ASP A 124 3.142 -14.145 3.557 1.00 2.26 O ATOM 1840 OD2 ASP A 124 5.006 -13.018 3.345 1.00 1.87 O ATOM 0 H ASP A 124 1.084 -10.020 1.875 1.00 0.61 H new ATOM 0 HA ASP A 124 3.239 -11.880 1.158 1.00 0.73 H new ATOM 0 HB2 ASP A 124 3.652 -10.942 3.487 1.00 1.02 H new ATOM 0 HB3 ASP A 124 2.182 -11.757 3.981 1.00 1.02 H new ATOM 1845 N PRO A 125 1.395 -13.684 0.910 1.00 0.61 N ATOM 1846 CA PRO A 125 2.591 -14.073 0.180 1.00 0.76 C ATOM 1847 C PRO A 125 2.832 -13.098 -0.973 1.00 0.87 C ATOM 1848 O PRO A 125 2.041 -12.183 -1.212 1.00 0.87 O ATOM 1849 CB PRO A 125 2.283 -15.471 -0.366 1.00 0.79 C ATOM 1850 CG PRO A 125 0.784 -15.377 -0.630 1.00 0.89 C ATOM 1851 CD PRO A 125 0.315 -14.597 0.593 1.00 0.76 C ATOM 0 HA PRO A 125 3.483 -14.065 0.807 1.00 0.76 H new ATOM 0 HB2 PRO A 125 2.846 -15.689 -1.274 1.00 0.79 H new ATOM 0 HB3 PRO A 125 2.524 -16.254 0.354 1.00 0.79 H new ATOM 0 HG2 PRO A 125 0.562 -14.855 -1.561 1.00 0.89 H new ATOM 0 HG3 PRO A 125 0.316 -16.359 -0.696 1.00 0.89 H new ATOM 0 HD2 PRO A 125 -0.607 -14.055 0.383 1.00 0.76 H new ATOM 0 HD3 PRO A 125 0.109 -15.265 1.429 1.00 0.76 H new ATOM 1859 N VAL A 126 3.903 -13.327 -1.729 1.00 0.98 N ATOM 1860 CA VAL A 126 4.070 -12.676 -3.014 1.00 0.89 C ATOM 1861 C VAL A 126 2.788 -12.853 -3.834 1.00 0.96 C ATOM 1862 O VAL A 126 2.162 -13.914 -3.789 1.00 1.24 O ATOM 1863 CB VAL A 126 5.304 -13.222 -3.748 1.00 1.06 C ATOM 1864 CG1 VAL A 126 6.559 -13.081 -2.879 1.00 1.13 C ATOM 1865 CG2 VAL A 126 5.146 -14.683 -4.164 1.00 1.32 C ATOM 0 H VAL A 126 4.662 -13.957 -1.470 1.00 0.98 H new ATOM 0 HA VAL A 126 4.242 -11.610 -2.867 1.00 0.89 H new ATOM 0 HB VAL A 126 5.407 -12.625 -4.654 1.00 1.06 H new ATOM 0 HG11 VAL A 126 7.421 -13.474 -3.418 1.00 1.13 H new ATOM 0 HG12 VAL A 126 6.725 -12.029 -2.647 1.00 1.13 H new ATOM 0 HG13 VAL A 126 6.425 -13.640 -1.953 1.00 1.13 H new ATOM 0 HG21 VAL A 126 6.048 -15.015 -4.678 1.00 1.32 H new ATOM 0 HG22 VAL A 126 4.986 -15.298 -3.279 1.00 1.32 H new ATOM 0 HG23 VAL A 126 4.291 -14.780 -4.833 1.00 1.32 H new ATOM 1875 N GLY A 127 2.403 -11.815 -4.569 1.00 0.97 N ATOM 1876 CA GLY A 127 1.232 -11.790 -5.418 1.00 1.17 C ATOM 1877 C GLY A 127 1.625 -11.258 -6.786 1.00 1.14 C ATOM 1878 O GLY A 127 2.797 -10.976 -7.033 1.00 1.30 O ATOM 0 H GLY A 127 2.923 -10.937 -4.586 1.00 0.97 H new ATOM 0 HA2 GLY A 127 0.812 -12.792 -5.510 1.00 1.17 H new ATOM 0 HA3 GLY A 127 0.460 -11.160 -4.976 1.00 1.17 H new ATOM 1882 N ASN A 128 0.649 -11.177 -7.694 1.00 1.07 N ATOM 1883 CA ASN A 128 0.862 -11.018 -9.134 1.00 1.21 C ATOM 1884 C ASN A 128 1.598 -12.229 -9.721 1.00 1.50 C ATOM 1885 O ASN A 128 2.118 -12.167 -10.838 1.00 1.83 O ATOM 1886 CB ASN A 128 1.595 -9.707 -9.467 1.00 1.36 C ATOM 1887 CG ASN A 128 0.865 -8.413 -9.116 1.00 1.41 C ATOM 1888 OD1 ASN A 128 1.495 -7.356 -9.119 1.00 2.66 O ATOM 1889 ND2 ASN A 128 -0.440 -8.427 -8.871 1.00 2.33 N ATOM 0 H ASN A 128 -0.338 -11.221 -7.440 1.00 1.07 H new ATOM 0 HA ASN A 128 -0.122 -10.962 -9.600 1.00 1.21 H new ATOM 0 HB2 ASN A 128 2.553 -9.710 -8.948 1.00 1.36 H new ATOM 0 HB3 ASN A 128 1.811 -9.698 -10.535 1.00 1.36 H new ATOM 0 HD21 ASN A 128 -0.933 -7.554 -8.682 1.00 2.33 H new ATOM 0 HD22 ASN A 128 -0.950 -9.311 -8.872 1.00 2.33 H new ATOM 1896 N TRP A 129 1.690 -13.313 -8.950 1.00 1.46 N ATOM 1897 CA TRP A 129 2.480 -14.490 -9.255 1.00 1.66 C ATOM 1898 C TRP A 129 1.549 -15.539 -9.896 1.00 1.88 C ATOM 1899 O TRP A 129 0.341 -15.314 -10.017 1.00 1.71 O ATOM 1900 CB TRP A 129 3.212 -14.872 -7.956 1.00 1.49 C ATOM 1901 CG TRP A 129 3.321 -16.283 -7.494 1.00 1.57 C ATOM 1902 CD1 TRP A 129 2.311 -17.062 -7.062 1.00 1.65 C ATOM 1903 CD2 TRP A 129 4.544 -17.049 -7.275 1.00 1.70 C ATOM 1904 NE1 TRP A 129 2.826 -18.233 -6.548 1.00 1.79 N ATOM 1905 CE2 TRP A 129 4.196 -18.287 -6.665 1.00 1.83 C ATOM 1906 CE3 TRP A 129 5.915 -16.807 -7.504 1.00 1.81 C ATOM 1907 CZ2 TRP A 129 5.159 -19.233 -6.290 1.00 2.03 C ATOM 1908 CZ3 TRP A 129 6.890 -17.757 -7.145 1.00 2.03 C ATOM 1909 CH2 TRP A 129 6.515 -18.967 -6.537 1.00 2.13 C ATOM 0 H TRP A 129 1.194 -13.391 -8.062 1.00 1.46 H new ATOM 0 HA TRP A 129 3.264 -14.354 -9.999 1.00 1.66 H new ATOM 0 HB2 TRP A 129 4.230 -14.492 -8.046 1.00 1.49 H new ATOM 0 HB3 TRP A 129 2.734 -14.314 -7.151 1.00 1.49 H new ATOM 0 HD1 TRP A 129 1.262 -16.809 -7.111 1.00 1.65 H new ATOM 0 HE1 TRP A 129 2.259 -18.971 -6.131 1.00 1.79 H new ATOM 0 HE3 TRP A 129 6.221 -15.878 -7.962 1.00 1.81 H new ATOM 0 HZ2 TRP A 129 4.861 -20.157 -5.816 1.00 2.03 H new ATOM 0 HZ3 TRP A 129 7.933 -17.554 -7.338 1.00 2.03 H new ATOM 0 HH2 TRP A 129 7.268 -19.690 -6.261 1.00 2.13 H new ATOM 1920 N ILE A 130 2.084 -16.669 -10.350 1.00 2.43 N ATOM 1921 CA ILE A 130 1.308 -17.699 -11.036 1.00 2.60 C ATOM 1922 C ILE A 130 0.607 -18.626 -10.039 1.00 2.71 C ATOM 1923 O ILE A 130 1.129 -18.881 -8.960 1.00 2.87 O ATOM 1924 CB ILE A 130 2.206 -18.437 -12.057 1.00 3.04 C ATOM 1925 CG1 ILE A 130 1.548 -18.413 -13.447 1.00 3.19 C ATOM 1926 CG2 ILE A 130 2.613 -19.850 -11.610 1.00 3.43 C ATOM 1927 CD1 ILE A 130 2.427 -19.035 -14.535 1.00 3.73 C ATOM 0 H ILE A 130 3.073 -16.898 -10.252 1.00 2.43 H new ATOM 0 HA ILE A 130 0.502 -17.234 -11.604 1.00 2.60 H new ATOM 0 HB ILE A 130 3.150 -17.895 -12.117 1.00 3.04 H new ATOM 0 HG12 ILE A 130 0.600 -18.949 -13.403 1.00 3.19 H new ATOM 0 HG13 ILE A 130 1.320 -17.382 -13.717 1.00 3.19 H new ATOM 0 HG21 ILE A 130 3.241 -20.307 -12.375 1.00 3.43 H new ATOM 0 HG22 ILE A 130 3.167 -19.790 -10.673 1.00 3.43 H new ATOM 0 HG23 ILE A 130 1.719 -20.457 -11.464 1.00 3.43 H new ATOM 0 HD11 ILE A 130 1.908 -18.988 -15.493 1.00 3.73 H new ATOM 0 HD12 ILE A 130 3.365 -18.485 -14.603 1.00 3.73 H new ATOM 0 HD13 ILE A 130 2.634 -20.075 -14.285 1.00 3.73 H new ATOM 1939 N GLY A 131 -0.562 -19.152 -10.404 1.00 2.84 N ATOM 1940 CA GLY A 131 -1.261 -20.163 -9.624 1.00 3.16 C ATOM 1941 C GLY A 131 -1.547 -19.704 -8.194 1.00 2.96 C ATOM 1942 O GLY A 131 -1.154 -20.364 -7.229 1.00 3.70 O ATOM 0 H GLY A 131 -1.052 -18.883 -11.258 1.00 2.84 H new ATOM 0 HA2 GLY A 131 -2.201 -20.412 -10.117 1.00 3.16 H new ATOM 0 HA3 GLY A 131 -0.663 -21.074 -9.597 1.00 3.16 H new ATOM 1946 N GLN A 132 -2.225 -18.567 -8.053 1.00 2.54 N ATOM 1947 CA GLN A 132 -2.732 -18.062 -6.780 1.00 2.56 C ATOM 1948 C GLN A 132 -4.126 -17.455 -6.957 1.00 2.94 C ATOM 1949 O GLN A 132 -4.958 -17.615 -6.070 1.00 4.80 O ATOM 1950 CB GLN A 132 -1.782 -17.002 -6.224 1.00 2.01 C ATOM 1951 CG GLN A 132 -0.688 -17.536 -5.290 1.00 2.14 C ATOM 1952 CD GLN A 132 0.173 -16.371 -4.808 1.00 2.02 C ATOM 1953 OE1 GLN A 132 0.213 -15.335 -5.464 1.00 2.91 O ATOM 1954 NE2 GLN A 132 0.857 -16.472 -3.686 1.00 2.45 N ATOM 0 H GLN A 132 -2.442 -17.957 -8.841 1.00 2.54 H new ATOM 0 HA GLN A 132 -2.797 -18.896 -6.081 1.00 2.56 H new ATOM 0 HB2 GLN A 132 -1.306 -16.488 -7.059 1.00 2.01 H new ATOM 0 HB3 GLN A 132 -2.368 -16.258 -5.684 1.00 2.01 H new ATOM 0 HG2 GLN A 132 -1.138 -18.048 -4.439 1.00 2.14 H new ATOM 0 HG3 GLN A 132 -0.072 -18.267 -5.813 1.00 2.14 H new ATOM 0 HE21 GLN A 132 0.822 -17.335 -3.143 1.00 2.45 H new ATOM 0 HE22 GLN A 132 1.422 -15.687 -3.361 1.00 2.45 H new ATOM 1963 N ARG A 133 -4.357 -16.757 -8.073 1.00 1.72 N ATOM 1964 CA ARG A 133 -5.580 -16.042 -8.445 1.00 1.75 C ATOM 1965 C ARG A 133 -5.594 -14.625 -7.864 1.00 1.35 C ATOM 1966 O ARG A 133 -5.263 -14.436 -6.691 1.00 1.36 O ATOM 1967 CB ARG A 133 -6.880 -16.760 -8.053 1.00 2.17 C ATOM 1968 CG ARG A 133 -6.989 -18.156 -8.670 1.00 2.94 C ATOM 1969 CD ARG A 133 -7.595 -19.133 -7.659 1.00 4.25 C ATOM 1970 NE ARG A 133 -7.970 -20.381 -8.333 1.00 4.65 N ATOM 1971 CZ ARG A 133 -9.151 -20.603 -8.927 1.00 5.15 C ATOM 1972 NH1 ARG A 133 -10.153 -19.731 -8.788 1.00 5.64 N ATOM 1973 NH2 ARG A 133 -9.314 -21.676 -9.696 1.00 5.88 N ATOM 0 H ARG A 133 -3.640 -16.671 -8.793 1.00 1.72 H new ATOM 0 HA ARG A 133 -5.555 -16.005 -9.534 1.00 1.75 H new ATOM 0 HB2 ARG A 133 -6.933 -16.841 -6.967 1.00 2.17 H new ATOM 0 HB3 ARG A 133 -7.733 -16.159 -8.370 1.00 2.17 H new ATOM 0 HG2 ARG A 133 -7.608 -18.118 -9.567 1.00 2.94 H new ATOM 0 HG3 ARG A 133 -6.003 -18.504 -8.978 1.00 2.94 H new ATOM 0 HD2 ARG A 133 -6.877 -19.340 -6.865 1.00 4.25 H new ATOM 0 HD3 ARG A 133 -8.471 -18.686 -7.189 1.00 4.25 H new ATOM 0 HE ARG A 133 -7.282 -21.134 -8.351 1.00 4.65 H new ATOM 0 HH11 ARG A 133 -10.022 -18.889 -8.227 1.00 5.64 H new ATOM 0 HH12 ARG A 133 -11.049 -19.907 -9.243 1.00 5.64 H new ATOM 0 HH21 ARG A 133 -8.541 -22.328 -9.833 1.00 5.88 H new ATOM 0 HH22 ARG A 133 -10.212 -21.847 -10.149 1.00 5.88 H new ATOM 1987 N PRO A 134 -5.982 -13.621 -8.666 1.00 1.12 N ATOM 1988 CA PRO A 134 -6.178 -12.274 -8.185 1.00 0.81 C ATOM 1989 C PRO A 134 -7.520 -12.156 -7.467 1.00 0.82 C ATOM 1990 O PRO A 134 -7.577 -11.575 -6.390 1.00 0.94 O ATOM 1991 CB PRO A 134 -6.096 -11.381 -9.420 1.00 0.74 C ATOM 1992 CG PRO A 134 -6.614 -12.280 -10.547 1.00 1.10 C ATOM 1993 CD PRO A 134 -6.221 -13.692 -10.098 1.00 1.33 C ATOM 0 HA PRO A 134 -5.426 -11.979 -7.453 1.00 0.81 H new ATOM 0 HB2 PRO A 134 -6.707 -10.485 -9.309 1.00 0.74 H new ATOM 0 HB3 PRO A 134 -5.075 -11.049 -9.608 1.00 0.74 H new ATOM 0 HG2 PRO A 134 -7.693 -12.185 -10.671 1.00 1.10 H new ATOM 0 HG3 PRO A 134 -6.160 -12.024 -11.504 1.00 1.10 H new ATOM 0 HD2 PRO A 134 -7.014 -14.405 -10.324 1.00 1.33 H new ATOM 0 HD3 PRO A 134 -5.328 -14.031 -10.623 1.00 1.33 H new ATOM 2001 N TYR A 135 -8.593 -12.687 -8.050 1.00 0.90 N ATOM 2002 CA TYR A 135 -9.922 -12.702 -7.475 1.00 0.96 C ATOM 2003 C TYR A 135 -10.580 -14.010 -7.910 1.00 1.22 C ATOM 2004 O TYR A 135 -10.050 -14.584 -8.888 1.00 1.34 O ATOM 2005 CB TYR A 135 -10.729 -11.444 -7.857 1.00 0.80 C ATOM 2006 CG TYR A 135 -10.833 -11.062 -9.327 1.00 0.73 C ATOM 2007 CD1 TYR A 135 -9.731 -10.469 -9.971 1.00 1.65 C ATOM 2008 CD2 TYR A 135 -12.100 -10.955 -9.927 1.00 2.06 C ATOM 2009 CE1 TYR A 135 -9.861 -9.888 -11.245 1.00 1.69 C ATOM 2010 CE2 TYR A 135 -12.251 -10.239 -11.125 1.00 2.14 C ATOM 2011 CZ TYR A 135 -11.134 -9.751 -11.816 1.00 1.02 C ATOM 2012 OH TYR A 135 -11.288 -9.113 -13.014 1.00 1.30 O ATOM 2013 OXT TYR A 135 -11.076 -14.688 -6.988 1.00 2.44 O ATOM 0 H TYR A 135 -8.552 -13.132 -8.967 1.00 0.90 H new ATOM 0 HA TYR A 135 -9.880 -12.666 -6.386 1.00 0.96 H new ATOM 0 HB2 TYR A 135 -11.742 -11.573 -7.476 1.00 0.80 H new ATOM 0 HB3 TYR A 135 -10.294 -10.598 -7.325 1.00 0.80 H new ATOM 0 HD1 TYR A 135 -8.770 -10.460 -9.479 1.00 1.65 H new ATOM 0 HD2 TYR A 135 -12.957 -11.424 -9.466 1.00 2.06 H new ATOM 0 HE1 TYR A 135 -8.986 -9.550 -11.780 1.00 1.69 H new ATOM 0 HE2 TYR A 135 -13.241 -10.062 -11.519 1.00 2.14 H new ATOM 0 HH TYR A 135 -10.462 -9.192 -13.535 1.00 1.30 H new TER 2023 TYR A 135