USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 984 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 87 GLN : amide:sc= -0.0351 K(o=-2.9,f=-4.2) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.85 K(o=-2.9,f=-4.1) USER MOD Set 2.1: A 68 THR OG1 : rot -93:sc= 0.844 USER MOD Set 2.2: A 71 HIS : no HD1:sc= -2.06! C(o=-1.2!,f=-8.5!) USER MOD Set 3.1: A 50 SER OG : rot 180:sc= -0.167 USER MOD Set 3.2: A 51 GLN : amide:sc=-0.00343 K(o=-0.17,f=-1.1) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 LYS NZ :NH3+ -168:sc= -0.953 (180deg=-1.16) USER MOD Set 5.1: A 18 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Set 5.2: A 44 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 6 SER OG : rot 46:sc= 0.882 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.572 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.5!) USER MOD Single : A 19 GLN : amide:sc= -0.859 K(o=-0.86,f=-5.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0995 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 110:sc= 0 USER MOD Single : A 36 MET CE :methyl 149:sc= -1.27 (180deg=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00297 USER MOD Single : A 57 SER OG : rot 180:sc= -0.446 USER MOD Single : A 61 SER OG : rot -44:sc= -0.43 USER MOD Single : A 69 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.018) USER MOD Single : A 70 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.0012) USER MOD Single : A 72 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.4!) USER MOD Single : A 74 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-5.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 178:sc= -1.22 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.7!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00298 X(o=-0.003,f=0) USER MOD Single : A 92 MET CE :methyl -173:sc= -1.76 (180deg=-1.99) USER MOD Single : A 94 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.45) USER MOD Single : A 98 MET CE :methyl 174:sc= -2 (180deg=-2.03) USER MOD Single : A 104 ASN : amide:sc= 0.734 K(o=0.73,f=-0.66) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= -0.0435 (180deg=-0.351) USER MOD Single : A 110 ASN : amide:sc= -1.79! K(o=-1.8!,f=-2.5) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.707 USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= 0.903 (180deg=0.782) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.136 -12.676 -3.986 1.00 0.00 N ATOM 2 CA GLY A 1 18.701 -12.798 -3.788 1.00 0.00 C ATOM 3 C GLY A 1 18.198 -11.766 -2.777 1.00 0.00 C ATOM 4 O GLY A 1 18.962 -10.919 -2.316 1.00 0.00 O ATOM 0 H1 GLY A 1 20.334 -12.498 -4.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.499 -11.885 -3.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.603 -13.558 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.186 -12.662 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.463 -13.802 -3.437 1.00 0.00 H new ATOM 8 N SER A 2 16.915 -11.870 -2.461 1.00 0.00 N ATOM 9 CA SER A 2 16.301 -10.957 -1.513 1.00 0.00 C ATOM 10 C SER A 2 15.480 -11.741 -0.488 1.00 0.00 C ATOM 11 O SER A 2 14.736 -12.652 -0.849 1.00 0.00 O ATOM 12 CB SER A 2 15.418 -9.932 -2.229 1.00 0.00 C ATOM 13 OG SER A 2 15.557 -8.627 -1.673 1.00 0.00 O ATOM 0 H SER A 2 16.284 -12.573 -2.845 1.00 0.00 H new ATOM 0 HA SER A 2 17.094 -10.416 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.679 -9.905 -3.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.376 -10.244 -2.165 1.00 0.00 H new ATOM 0 HG SER A 2 14.979 -8.002 -2.158 1.00 0.00 H new ATOM 19 N SER A 3 15.642 -11.358 0.770 1.00 0.00 N ATOM 20 CA SER A 3 14.924 -12.014 1.850 1.00 0.00 C ATOM 21 C SER A 3 13.639 -11.246 2.166 1.00 0.00 C ATOM 22 O SER A 3 13.643 -10.336 2.993 1.00 0.00 O ATOM 23 CB SER A 3 15.797 -12.126 3.102 1.00 0.00 C ATOM 24 OG SER A 3 16.619 -13.290 3.077 1.00 0.00 O ATOM 0 H SER A 3 16.260 -10.602 1.066 1.00 0.00 H new ATOM 0 HA SER A 3 14.667 -13.023 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.426 -11.240 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.161 -12.150 3.987 1.00 0.00 H new ATOM 0 HG SER A 3 17.162 -13.325 3.892 1.00 0.00 H new ATOM 30 N GLY A 4 12.570 -11.643 1.491 1.00 0.00 N ATOM 31 CA GLY A 4 11.280 -11.004 1.690 1.00 0.00 C ATOM 32 C GLY A 4 11.351 -9.512 1.361 1.00 0.00 C ATOM 33 O GLY A 4 12.404 -8.891 1.498 1.00 0.00 O ATOM 0 H GLY A 4 12.571 -12.399 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.531 -11.484 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.960 -11.137 2.723 1.00 0.00 H new ATOM 37 N SER A 5 10.216 -8.978 0.933 1.00 0.00 N ATOM 38 CA SER A 5 10.136 -7.570 0.583 1.00 0.00 C ATOM 39 C SER A 5 9.099 -6.870 1.463 1.00 0.00 C ATOM 40 O SER A 5 9.445 -6.011 2.272 1.00 0.00 O ATOM 41 CB SER A 5 9.787 -7.389 -0.896 1.00 0.00 C ATOM 42 OG SER A 5 8.609 -8.104 -1.257 1.00 0.00 O ATOM 0 H SER A 5 9.344 -9.495 0.821 1.00 0.00 H new ATOM 0 HA SER A 5 11.113 -7.119 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.647 -6.329 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.621 -7.730 -1.510 1.00 0.00 H new ATOM 0 HG SER A 5 8.419 -7.962 -2.208 1.00 0.00 H new ATOM 48 N SER A 6 7.848 -7.264 1.275 1.00 0.00 N ATOM 49 CA SER A 6 6.758 -6.685 2.042 1.00 0.00 C ATOM 50 C SER A 6 5.471 -7.476 1.801 1.00 0.00 C ATOM 51 O SER A 6 5.379 -8.242 0.843 1.00 0.00 O ATOM 52 CB SER A 6 6.552 -5.213 1.682 1.00 0.00 C ATOM 53 OG SER A 6 7.264 -4.344 2.558 1.00 0.00 O ATOM 0 H SER A 6 7.565 -7.977 0.603 1.00 0.00 H new ATOM 0 HA SER A 6 7.017 -6.739 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.879 -5.041 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.489 -4.976 1.721 1.00 0.00 H new ATOM 0 HG SER A 6 8.180 -4.674 2.673 1.00 0.00 H new ATOM 59 N GLY A 7 4.509 -7.263 2.686 1.00 0.00 N ATOM 60 CA GLY A 7 3.230 -7.946 2.582 1.00 0.00 C ATOM 61 C GLY A 7 2.322 -7.256 1.563 1.00 0.00 C ATOM 62 O GLY A 7 2.692 -6.234 0.987 1.00 0.00 O ATOM 0 H GLY A 7 4.589 -6.627 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.390 -8.983 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.742 -7.963 3.557 1.00 0.00 H new ATOM 66 N PRO A 8 1.118 -7.858 1.366 1.00 0.00 N ATOM 67 CA PRO A 8 0.153 -7.312 0.426 1.00 0.00 C ATOM 68 C PRO A 8 -0.524 -6.065 0.999 1.00 0.00 C ATOM 69 O PRO A 8 -0.984 -6.072 2.140 1.00 0.00 O ATOM 70 CB PRO A 8 -0.821 -8.447 0.158 1.00 0.00 C ATOM 71 CG PRO A 8 -0.640 -9.430 1.303 1.00 0.00 C ATOM 72 CD PRO A 8 0.645 -9.069 2.030 1.00 0.00 C ATOM 0 HA PRO A 8 0.614 -6.974 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.847 -8.080 0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.613 -8.922 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.490 -9.383 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.591 -10.451 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.464 -8.894 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.379 -9.872 1.960 1.00 0.00 H new ATOM 80 N VAL A 9 -0.565 -5.024 0.180 1.00 0.00 N ATOM 81 CA VAL A 9 -1.179 -3.773 0.590 1.00 0.00 C ATOM 82 C VAL A 9 -2.122 -3.286 -0.513 1.00 0.00 C ATOM 83 O VAL A 9 -1.681 -2.976 -1.618 1.00 0.00 O ATOM 84 CB VAL A 9 -0.097 -2.751 0.946 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.701 -1.538 1.657 1.00 0.00 C ATOM 86 CG2 VAL A 9 1.004 -3.391 1.793 1.00 0.00 C ATOM 0 H VAL A 9 -0.183 -5.022 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.778 -3.919 1.489 1.00 0.00 H new ATOM 0 HB VAL A 9 0.355 -2.404 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.089 -0.827 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.432 -1.060 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.192 -1.861 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.760 -2.643 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.574 -3.780 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.464 -4.207 1.235 1.00 0.00 H new ATOM 96 N ASP A 10 -3.401 -3.235 -0.173 1.00 0.00 N ATOM 97 CA ASP A 10 -4.410 -2.792 -1.121 1.00 0.00 C ATOM 98 C ASP A 10 -3.890 -1.567 -1.876 1.00 0.00 C ATOM 99 O ASP A 10 -4.059 -1.464 -3.090 1.00 0.00 O ATOM 100 CB ASP A 10 -5.701 -2.393 -0.405 1.00 0.00 C ATOM 101 CG ASP A 10 -6.819 -3.436 -0.459 1.00 0.00 C ATOM 102 OD1 ASP A 10 -7.360 -3.632 -1.569 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.109 -4.014 0.611 1.00 0.00 O ATOM 0 H ASP A 10 -3.762 -3.493 0.745 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.617 -3.616 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.470 -2.184 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.069 -1.465 -0.842 1.00 0.00 H new ATOM 108 N CYS A 11 -3.269 -0.669 -1.126 1.00 0.00 N ATOM 109 CA CYS A 11 -2.724 0.545 -1.709 1.00 0.00 C ATOM 110 C CYS A 11 -1.498 0.962 -0.893 1.00 0.00 C ATOM 111 O CYS A 11 -1.631 1.459 0.224 1.00 0.00 O ATOM 112 CB CYS A 11 -3.770 1.660 -1.776 1.00 0.00 C ATOM 113 SG CYS A 11 -3.178 3.008 -2.863 1.00 0.00 S ATOM 0 H CYS A 11 -3.131 -0.758 -0.119 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.426 0.354 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.712 1.264 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.966 2.047 -0.776 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.074 3.949 -2.915 1.00 0.00 H new ATOM 119 N SER A 12 -0.332 0.743 -1.483 1.00 0.00 N ATOM 120 CA SER A 12 0.916 1.090 -0.825 1.00 0.00 C ATOM 121 C SER A 12 1.334 2.510 -1.210 1.00 0.00 C ATOM 122 O SER A 12 1.272 2.883 -2.380 1.00 0.00 O ATOM 123 CB SER A 12 2.022 0.095 -1.183 1.00 0.00 C ATOM 124 OG SER A 12 2.720 -0.367 -0.029 1.00 0.00 O ATOM 0 H SER A 12 -0.225 0.330 -2.409 1.00 0.00 H new ATOM 0 HA SER A 12 0.759 1.045 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.588 -0.756 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.726 0.567 -1.868 1.00 0.00 H new ATOM 0 HG SER A 12 3.416 -1.001 -0.300 1.00 0.00 H new ATOM 130 N VAL A 13 1.752 3.263 -0.203 1.00 0.00 N ATOM 131 CA VAL A 13 2.180 4.634 -0.422 1.00 0.00 C ATOM 132 C VAL A 13 3.683 4.655 -0.706 1.00 0.00 C ATOM 133 O VAL A 13 4.461 4.018 0.002 1.00 0.00 O ATOM 134 CB VAL A 13 1.786 5.503 0.775 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.216 6.956 0.563 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.283 5.410 1.048 1.00 0.00 C ATOM 0 H VAL A 13 1.803 2.950 0.766 1.00 0.00 H new ATOM 0 HA VAL A 13 1.678 5.056 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 13 2.310 5.123 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.924 7.552 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.298 7.001 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.733 7.352 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.029 6.036 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.268 5.752 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.016 4.376 1.264 1.00 0.00 H new ATOM 146 N ILE A 14 4.047 5.395 -1.743 1.00 0.00 N ATOM 147 CA ILE A 14 5.443 5.508 -2.130 1.00 0.00 C ATOM 148 C ILE A 14 5.940 6.922 -1.823 1.00 0.00 C ATOM 149 O ILE A 14 5.528 7.883 -2.471 1.00 0.00 O ATOM 150 CB ILE A 14 5.630 5.093 -3.590 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.667 3.965 -3.967 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.087 4.722 -3.873 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.077 2.649 -3.303 1.00 0.00 C ATOM 0 H ILE A 14 3.399 5.923 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 14 6.057 4.821 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 14 5.388 5.948 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.654 4.230 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.653 3.841 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.192 4.431 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.727 5.580 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.381 3.890 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.376 1.864 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.081 2.375 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.067 2.769 -2.220 1.00 0.00 H new ATOM 165 N VAL A 15 6.819 7.005 -0.836 1.00 0.00 N ATOM 166 CA VAL A 15 7.377 8.285 -0.436 1.00 0.00 C ATOM 167 C VAL A 15 8.905 8.204 -0.467 1.00 0.00 C ATOM 168 O VAL A 15 9.524 7.728 0.484 1.00 0.00 O ATOM 169 CB VAL A 15 6.828 8.691 0.934 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.617 7.465 1.825 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.745 9.711 1.612 1.00 0.00 C ATOM 0 H VAL A 15 7.159 6.206 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 15 7.079 9.066 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 15 5.858 9.164 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.227 7.781 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.906 6.788 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.568 6.951 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.332 9.982 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.735 9.276 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.822 10.602 0.989 1.00 0.00 H new ATOM 181 N VAL A 16 9.468 8.674 -1.570 1.00 0.00 N ATOM 182 CA VAL A 16 10.912 8.660 -1.737 1.00 0.00 C ATOM 183 C VAL A 16 11.543 9.661 -0.767 1.00 0.00 C ATOM 184 O VAL A 16 12.596 9.392 -0.190 1.00 0.00 O ATOM 185 CB VAL A 16 11.272 8.935 -3.198 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.511 7.996 -4.136 1.00 0.00 C ATOM 187 CG2 VAL A 16 11.014 10.399 -3.560 1.00 0.00 C ATOM 0 H VAL A 16 8.951 9.067 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 16 11.315 7.676 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 16 12.338 8.742 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.785 8.212 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.766 6.962 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.439 8.143 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.278 10.568 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.959 10.630 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.620 11.043 -2.924 1.00 0.00 H new ATOM 197 N ASN A 17 10.873 10.794 -0.617 1.00 0.00 N ATOM 198 CA ASN A 17 11.355 11.836 0.273 1.00 0.00 C ATOM 199 C ASN A 17 10.988 11.480 1.715 1.00 0.00 C ATOM 200 O ASN A 17 10.269 10.511 1.955 1.00 0.00 O ATOM 201 CB ASN A 17 10.713 13.185 -0.059 1.00 0.00 C ATOM 202 CG ASN A 17 10.757 13.457 -1.564 1.00 0.00 C ATOM 203 OD1 ASN A 17 10.053 12.847 -2.351 1.00 0.00 O ATOM 204 ND2 ASN A 17 11.620 14.405 -1.917 1.00 0.00 N ATOM 0 H ASN A 17 10.000 11.013 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 17 12.435 11.911 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.679 13.195 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.234 13.981 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.723 14.661 -2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.179 14.876 -1.206 1.00 0.00 H new ATOM 211 N LYS A 18 11.498 12.282 2.638 1.00 0.00 N ATOM 212 CA LYS A 18 11.233 12.063 4.050 1.00 0.00 C ATOM 213 C LYS A 18 10.344 13.191 4.578 1.00 0.00 C ATOM 214 O LYS A 18 9.532 12.977 5.476 1.00 0.00 O ATOM 215 CB LYS A 18 12.543 11.900 4.822 1.00 0.00 C ATOM 216 CG LYS A 18 13.186 10.542 4.531 1.00 0.00 C ATOM 217 CD LYS A 18 12.622 9.460 5.454 1.00 0.00 C ATOM 218 CE LYS A 18 13.005 9.728 6.911 1.00 0.00 C ATOM 219 NZ LYS A 18 13.968 8.710 7.389 1.00 0.00 N ATOM 0 H LYS A 18 12.094 13.085 2.436 1.00 0.00 H new ATOM 0 HA LYS A 18 10.687 11.131 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.232 12.699 4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.353 11.995 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.009 10.267 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.266 10.611 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.537 9.426 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.999 8.484 5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.443 10.722 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.112 9.715 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.495 9.086 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.453 7.853 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.633 8.476 6.625 1.00 0.00 H new ATOM 233 N GLN A 19 10.529 14.368 3.997 1.00 0.00 N ATOM 234 CA GLN A 19 9.754 15.530 4.398 1.00 0.00 C ATOM 235 C GLN A 19 8.260 15.198 4.396 1.00 0.00 C ATOM 236 O GLN A 19 7.521 15.641 5.274 1.00 0.00 O ATOM 237 CB GLN A 19 10.051 16.727 3.492 1.00 0.00 C ATOM 238 CG GLN A 19 9.714 18.043 4.195 1.00 0.00 C ATOM 239 CD GLN A 19 8.283 18.482 3.880 1.00 0.00 C ATOM 240 OE1 GLN A 19 7.472 17.726 3.370 1.00 0.00 O ATOM 241 NE2 GLN A 19 8.018 19.742 4.212 1.00 0.00 N ATOM 0 H GLN A 19 11.204 14.542 3.252 1.00 0.00 H new ATOM 0 HA GLN A 19 10.044 15.803 5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.104 16.721 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.473 16.644 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.833 17.925 5.272 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.413 18.817 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.743 20.321 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.090 20.130 4.043 1.00 0.00 H new ATOM 250 N THR A 20 7.861 14.422 3.399 1.00 0.00 N ATOM 251 CA THR A 20 6.468 14.026 3.271 1.00 0.00 C ATOM 252 C THR A 20 6.194 12.768 4.097 1.00 0.00 C ATOM 253 O THR A 20 5.624 11.802 3.591 1.00 0.00 O ATOM 254 CB THR A 20 6.160 13.856 1.783 1.00 0.00 C ATOM 255 OG1 THR A 20 7.307 13.186 1.265 1.00 0.00 O ATOM 256 CG2 THR A 20 6.138 15.189 1.033 1.00 0.00 C ATOM 0 H THR A 20 8.477 14.057 2.673 1.00 0.00 H new ATOM 0 HA THR A 20 5.801 14.790 3.670 1.00 0.00 H new ATOM 0 HB THR A 20 5.197 13.358 1.667 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.191 13.034 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.915 15.011 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.372 15.835 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.111 15.672 1.121 1.00 0.00 H new ATOM 264 N LYS A 21 6.612 12.820 5.353 1.00 0.00 N ATOM 265 CA LYS A 21 6.418 11.696 6.253 1.00 0.00 C ATOM 266 C LYS A 21 5.047 11.814 6.922 1.00 0.00 C ATOM 267 O LYS A 21 4.342 10.819 7.079 1.00 0.00 O ATOM 268 CB LYS A 21 7.580 11.597 7.244 1.00 0.00 C ATOM 269 CG LYS A 21 7.176 10.796 8.484 1.00 0.00 C ATOM 270 CD LYS A 21 8.360 9.995 9.029 1.00 0.00 C ATOM 271 CE LYS A 21 7.926 8.587 9.441 1.00 0.00 C ATOM 272 NZ LYS A 21 8.623 8.171 10.679 1.00 0.00 N ATOM 0 H LYS A 21 7.084 13.623 5.769 1.00 0.00 H new ATOM 0 HA LYS A 21 6.422 10.758 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.434 11.122 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.897 12.597 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.805 11.473 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.359 10.119 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.141 9.932 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.790 10.512 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.848 8.564 9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.146 7.883 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.317 7.213 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.650 8.174 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.392 8.834 11.447 1.00 0.00 H new ATOM 286 N ASP A 22 4.711 13.039 7.298 1.00 0.00 N ATOM 287 CA ASP A 22 3.437 13.300 7.946 1.00 0.00 C ATOM 288 C ASP A 22 2.346 13.430 6.882 1.00 0.00 C ATOM 289 O ASP A 22 1.197 13.059 7.117 1.00 0.00 O ATOM 290 CB ASP A 22 3.481 14.607 8.740 1.00 0.00 C ATOM 291 CG ASP A 22 4.360 14.574 9.992 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.579 14.356 9.824 1.00 0.00 O ATOM 293 OD2 ASP A 22 3.793 14.768 11.089 1.00 0.00 O ATOM 0 H ASP A 22 5.299 13.862 7.166 1.00 0.00 H new ATOM 0 HA ASP A 22 3.228 12.473 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.838 15.401 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.465 14.870 9.035 1.00 0.00 H new ATOM 298 N TYR A 23 2.743 13.958 5.733 1.00 0.00 N ATOM 299 CA TYR A 23 1.813 14.142 4.632 1.00 0.00 C ATOM 300 C TYR A 23 1.456 12.801 3.987 1.00 0.00 C ATOM 301 O TYR A 23 0.281 12.458 3.870 1.00 0.00 O ATOM 302 CB TYR A 23 2.541 15.011 3.605 1.00 0.00 C ATOM 303 CG TYR A 23 1.873 15.040 2.229 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.160 14.059 1.302 1.00 0.00 C ATOM 305 CD2 TYR A 23 0.983 16.047 1.915 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.531 14.086 0.007 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.354 16.074 0.620 1.00 0.00 C ATOM 308 CZ TYR A 23 0.659 15.093 -0.270 1.00 0.00 C ATOM 309 OH TYR A 23 0.066 15.119 -1.493 1.00 0.00 O ATOM 0 H TYR A 23 3.697 14.264 5.541 1.00 0.00 H new ATOM 0 HA TYR A 23 0.887 14.598 4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.606 16.030 3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.562 14.646 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.856 13.271 1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.758 16.815 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.746 13.324 -0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.344 16.856 0.362 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.886 14.905 -1.400 1.00 0.00 H new ATOM 319 N ALA A 24 2.492 12.080 3.585 1.00 0.00 N ATOM 320 CA ALA A 24 2.303 10.785 2.954 1.00 0.00 C ATOM 321 C ALA A 24 1.528 9.869 3.904 1.00 0.00 C ATOM 322 O ALA A 24 0.670 9.101 3.469 1.00 0.00 O ATOM 323 CB ALA A 24 3.663 10.203 2.564 1.00 0.00 C ATOM 0 H ALA A 24 3.465 12.368 3.684 1.00 0.00 H new ATOM 0 HA ALA A 24 1.717 10.885 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.521 9.231 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.161 10.877 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.278 10.085 3.456 1.00 0.00 H new ATOM 329 N GLU A 25 1.858 9.979 5.182 1.00 0.00 N ATOM 330 CA GLU A 25 1.204 9.170 6.196 1.00 0.00 C ATOM 331 C GLU A 25 -0.289 9.497 6.254 1.00 0.00 C ATOM 332 O GLU A 25 -1.063 8.775 6.882 1.00 0.00 O ATOM 333 CB GLU A 25 1.862 9.367 7.563 1.00 0.00 C ATOM 334 CG GLU A 25 2.970 8.337 7.793 1.00 0.00 C ATOM 335 CD GLU A 25 3.169 8.069 9.286 1.00 0.00 C ATOM 336 OE1 GLU A 25 3.065 9.048 10.057 1.00 0.00 O ATOM 337 OE2 GLU A 25 3.421 6.892 9.623 1.00 0.00 O ATOM 0 H GLU A 25 2.570 10.616 5.539 1.00 0.00 H new ATOM 0 HA GLU A 25 1.316 8.121 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.277 10.373 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.111 9.279 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.718 7.407 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.902 8.697 7.357 1.00 0.00 H new ATOM 344 N SER A 26 -0.650 10.585 5.591 1.00 0.00 N ATOM 345 CA SER A 26 -2.038 11.017 5.559 1.00 0.00 C ATOM 346 C SER A 26 -2.772 10.331 4.405 1.00 0.00 C ATOM 347 O SER A 26 -3.655 9.504 4.631 1.00 0.00 O ATOM 348 CB SER A 26 -2.139 12.537 5.423 1.00 0.00 C ATOM 349 OG SER A 26 -3.414 13.026 5.830 1.00 0.00 O ATOM 0 H SER A 26 -0.006 11.181 5.071 1.00 0.00 H new ATOM 0 HA SER A 26 -2.507 10.732 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.361 13.007 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.956 12.821 4.387 1.00 0.00 H new ATOM 0 HG SER A 26 -3.438 14.001 5.730 1.00 0.00 H new ATOM 355 N VAL A 27 -2.381 10.699 3.194 1.00 0.00 N ATOM 356 CA VAL A 27 -2.992 10.130 2.005 1.00 0.00 C ATOM 357 C VAL A 27 -2.995 8.604 2.120 1.00 0.00 C ATOM 358 O VAL A 27 -3.870 7.938 1.568 1.00 0.00 O ATOM 359 CB VAL A 27 -2.270 10.634 0.754 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.275 9.592 0.238 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.270 11.024 -0.336 1.00 0.00 C ATOM 0 H VAL A 27 -1.648 11.384 3.011 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.030 10.452 1.917 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.708 11.527 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.775 9.975 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.533 9.384 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.807 8.674 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.731 11.379 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.871 10.156 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.921 11.816 0.034 1.00 0.00 H new ATOM 371 N GLY A 28 -2.006 8.094 2.839 1.00 0.00 N ATOM 372 CA GLY A 28 -1.883 6.659 3.032 1.00 0.00 C ATOM 373 C GLY A 28 -2.977 6.137 3.966 1.00 0.00 C ATOM 374 O GLY A 28 -3.322 4.957 3.924 1.00 0.00 O ATOM 0 H GLY A 28 -1.282 8.649 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.949 6.152 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.903 6.427 3.448 1.00 0.00 H new ATOM 378 N ARG A 29 -3.493 7.041 4.786 1.00 0.00 N ATOM 379 CA ARG A 29 -4.541 6.686 5.728 1.00 0.00 C ATOM 380 C ARG A 29 -5.917 6.952 5.115 1.00 0.00 C ATOM 381 O ARG A 29 -6.874 6.229 5.391 1.00 0.00 O ATOM 382 CB ARG A 29 -4.406 7.482 7.027 1.00 0.00 C ATOM 383 CG ARG A 29 -5.386 8.656 7.055 1.00 0.00 C ATOM 384 CD ARG A 29 -5.205 9.492 8.324 1.00 0.00 C ATOM 385 NE ARG A 29 -5.556 8.687 9.515 1.00 0.00 N ATOM 386 CZ ARG A 29 -5.720 9.196 10.744 1.00 0.00 C ATOM 387 NH1 ARG A 29 -5.566 10.510 10.951 1.00 0.00 N ATOM 388 NH2 ARG A 29 -6.038 8.389 11.765 1.00 0.00 N ATOM 0 H ARG A 29 -3.205 8.019 4.818 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.439 5.625 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.592 6.828 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.386 7.853 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.232 9.283 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.409 8.282 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.173 9.836 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.835 10.380 8.277 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.681 7.682 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.324 11.124 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.691 10.897 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.155 7.388 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.163 8.775 12.701 1.00 0.00 H new ATOM 402 N LYS A 30 -5.974 7.991 4.295 1.00 0.00 N ATOM 403 CA LYS A 30 -7.218 8.361 3.641 1.00 0.00 C ATOM 404 C LYS A 30 -7.816 7.130 2.958 1.00 0.00 C ATOM 405 O LYS A 30 -9.035 6.987 2.884 1.00 0.00 O ATOM 406 CB LYS A 30 -6.994 9.542 2.694 1.00 0.00 C ATOM 407 CG LYS A 30 -7.354 10.865 3.374 1.00 0.00 C ATOM 408 CD LYS A 30 -6.418 11.148 4.551 1.00 0.00 C ATOM 409 CE LYS A 30 -7.197 11.216 5.866 1.00 0.00 C ATOM 410 NZ LYS A 30 -6.538 12.144 6.812 1.00 0.00 N ATOM 0 H LYS A 30 -5.179 8.588 4.068 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.947 8.704 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.952 9.565 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.599 9.413 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.292 11.678 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.385 10.829 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.660 10.367 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.894 12.089 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.218 11.547 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.262 10.222 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.953 12.028 7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.520 11.934 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.677 13.123 6.491 1.00 0.00 H new ATOM 424 N VAL A 31 -6.929 6.272 2.474 1.00 0.00 N ATOM 425 CA VAL A 31 -7.354 5.057 1.799 1.00 0.00 C ATOM 426 C VAL A 31 -7.786 4.024 2.842 1.00 0.00 C ATOM 427 O VAL A 31 -8.636 3.178 2.568 1.00 0.00 O ATOM 428 CB VAL A 31 -6.240 4.551 0.881 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.737 3.409 -0.006 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.665 5.691 0.038 1.00 0.00 C ATOM 0 H VAL A 31 -5.918 6.394 2.536 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.216 5.255 1.162 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.439 4.162 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.925 3.068 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.076 2.583 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.565 3.761 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.875 5.305 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.455 6.123 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.255 6.458 0.695 1.00 0.00 H new ATOM 440 N ARG A 32 -7.179 4.126 4.016 1.00 0.00 N ATOM 441 CA ARG A 32 -7.490 3.210 5.100 1.00 0.00 C ATOM 442 C ARG A 32 -8.862 3.536 5.693 1.00 0.00 C ATOM 443 O ARG A 32 -9.569 2.643 6.159 1.00 0.00 O ATOM 444 CB ARG A 32 -6.434 3.286 6.205 1.00 0.00 C ATOM 445 CG ARG A 32 -5.064 2.847 5.685 1.00 0.00 C ATOM 446 CD ARG A 32 -4.202 2.284 6.817 1.00 0.00 C ATOM 447 NE ARG A 32 -3.587 3.391 7.583 1.00 0.00 N ATOM 448 CZ ARG A 32 -3.165 3.285 8.850 1.00 0.00 C ATOM 449 NH1 ARG A 32 -3.291 2.122 9.503 1.00 0.00 N ATOM 450 NH2 ARG A 32 -2.619 4.343 9.465 1.00 0.00 N ATOM 0 H ARG A 32 -6.474 4.828 4.240 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.498 2.200 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.373 4.306 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.730 2.652 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.191 2.092 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.557 3.695 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.812 1.668 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.425 1.639 6.407 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.478 4.292 7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.708 1.317 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.970 2.041 10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.525 5.229 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.298 4.262 10.430 1.00 0.00 H new ATOM 464 N ASP A 33 -9.199 4.817 5.656 1.00 0.00 N ATOM 465 CA ASP A 33 -10.474 5.271 6.184 1.00 0.00 C ATOM 466 C ASP A 33 -11.610 4.576 5.430 1.00 0.00 C ATOM 467 O ASP A 33 -12.744 4.542 5.904 1.00 0.00 O ATOM 468 CB ASP A 33 -10.640 6.781 6.000 1.00 0.00 C ATOM 469 CG ASP A 33 -11.993 7.341 6.441 1.00 0.00 C ATOM 470 OD1 ASP A 33 -12.985 7.048 5.739 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.005 8.051 7.470 1.00 0.00 O ATOM 0 H ASP A 33 -8.611 5.555 5.268 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.503 5.031 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.854 7.289 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.489 7.022 4.948 1.00 0.00 H new ATOM 476 N LEU A 34 -11.265 4.038 4.269 1.00 0.00 N ATOM 477 CA LEU A 34 -12.241 3.346 3.446 1.00 0.00 C ATOM 478 C LEU A 34 -12.250 1.861 3.813 1.00 0.00 C ATOM 479 O LEU A 34 -13.143 1.121 3.401 1.00 0.00 O ATOM 480 CB LEU A 34 -11.975 3.611 1.962 1.00 0.00 C ATOM 481 CG LEU A 34 -11.454 5.006 1.613 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.537 4.959 0.390 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.610 5.991 1.425 1.00 0.00 C ATOM 0 H LEU A 34 -10.323 4.068 3.879 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.243 3.729 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.254 2.876 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.901 3.442 1.412 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.856 5.367 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.181 5.964 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.686 4.310 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.090 4.569 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.213 6.975 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.254 5.646 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.188 6.054 2.347 1.00 0.00 H new ATOM 495 N GLY A 35 -11.247 1.469 4.585 1.00 0.00 N ATOM 496 CA GLY A 35 -11.129 0.085 5.012 1.00 0.00 C ATOM 497 C GLY A 35 -10.166 -0.688 4.108 1.00 0.00 C ATOM 498 O GLY A 35 -10.271 -1.907 3.983 1.00 0.00 O ATOM 0 H GLY A 35 -10.509 2.085 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.775 0.048 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.110 -0.390 4.994 1.00 0.00 H new ATOM 502 N MET A 36 -9.250 0.053 3.502 1.00 0.00 N ATOM 503 CA MET A 36 -8.270 -0.547 2.614 1.00 0.00 C ATOM 504 C MET A 36 -6.880 -0.551 3.254 1.00 0.00 C ATOM 505 O MET A 36 -6.456 0.448 3.832 1.00 0.00 O ATOM 506 CB MET A 36 -8.225 0.236 1.300 1.00 0.00 C ATOM 507 CG MET A 36 -9.412 -0.125 0.406 1.00 0.00 C ATOM 508 SD MET A 36 -9.441 0.937 -1.029 1.00 0.00 S ATOM 509 CE MET A 36 -8.016 0.315 -1.904 1.00 0.00 C ATOM 0 H MET A 36 -9.166 1.064 3.609 1.00 0.00 H new ATOM 0 HA MET A 36 -8.564 -1.579 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.235 1.306 1.509 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.293 0.022 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.340 -1.167 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.343 -0.022 0.964 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.171 0.425 -2.977 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.132 0.878 -1.606 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.873 -0.739 -1.664 1.00 0.00 H new ATOM 519 N VAL A 37 -6.210 -1.688 3.129 1.00 0.00 N ATOM 520 CA VAL A 37 -4.877 -1.835 3.688 1.00 0.00 C ATOM 521 C VAL A 37 -3.914 -0.901 2.953 1.00 0.00 C ATOM 522 O VAL A 37 -3.786 -0.970 1.732 1.00 0.00 O ATOM 523 CB VAL A 37 -4.445 -3.302 3.632 1.00 0.00 C ATOM 524 CG1 VAL A 37 -3.086 -3.500 4.306 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.506 -4.210 4.258 1.00 0.00 C ATOM 0 H VAL A 37 -6.565 -2.515 2.649 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.870 -1.547 4.739 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.342 -3.581 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.803 -4.551 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.336 -2.895 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.150 -3.195 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.174 -5.247 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.656 -3.929 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.445 -4.101 3.715 1.00 0.00 H new ATOM 535 N VAL A 38 -3.260 -0.048 3.728 1.00 0.00 N ATOM 536 CA VAL A 38 -2.313 0.900 3.166 1.00 0.00 C ATOM 537 C VAL A 38 -1.059 0.941 4.042 1.00 0.00 C ATOM 538 O VAL A 38 -1.131 0.702 5.247 1.00 0.00 O ATOM 539 CB VAL A 38 -2.975 2.270 3.006 1.00 0.00 C ATOM 540 CG1 VAL A 38 -1.980 3.301 2.470 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.210 2.180 2.107 1.00 0.00 C ATOM 0 H VAL A 38 -3.367 0.006 4.741 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.004 0.585 2.169 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.301 2.602 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.476 4.266 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.145 3.396 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.609 2.977 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.662 3.167 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.917 1.816 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.932 1.493 2.548 1.00 0.00 H new ATOM 551 N ASP A 39 0.061 1.246 3.403 1.00 0.00 N ATOM 552 CA ASP A 39 1.328 1.321 4.109 1.00 0.00 C ATOM 553 C ASP A 39 2.162 2.466 3.531 1.00 0.00 C ATOM 554 O ASP A 39 1.829 3.012 2.479 1.00 0.00 O ATOM 555 CB ASP A 39 2.127 0.026 3.947 1.00 0.00 C ATOM 556 CG ASP A 39 3.543 0.063 4.525 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.671 -0.228 5.734 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.466 0.382 3.745 1.00 0.00 O ATOM 0 H ASP A 39 0.117 1.444 2.404 1.00 0.00 H new ATOM 0 HA ASP A 39 1.116 1.484 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.577 -0.785 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.190 -0.214 2.886 1.00 0.00 H new ATOM 563 N LEU A 40 3.230 2.797 4.242 1.00 0.00 N ATOM 564 CA LEU A 40 4.114 3.867 3.812 1.00 0.00 C ATOM 565 C LEU A 40 5.492 3.286 3.489 1.00 0.00 C ATOM 566 O LEU A 40 6.072 2.566 4.301 1.00 0.00 O ATOM 567 CB LEU A 40 4.147 4.986 4.856 1.00 0.00 C ATOM 568 CG LEU A 40 3.534 6.320 4.428 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.005 6.250 4.440 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.062 7.468 5.291 1.00 0.00 C ATOM 0 H LEU A 40 3.503 2.343 5.113 1.00 0.00 H new ATOM 0 HA LEU A 40 3.740 4.326 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.626 4.639 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.185 5.160 5.140 1.00 0.00 H new ATOM 0 HG LEU A 40 3.839 6.522 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.594 7.211 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.671 5.475 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.659 6.014 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.610 8.405 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.807 7.285 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.145 7.532 5.188 1.00 0.00 H new ATOM 582 N ILE A 41 5.976 3.620 2.302 1.00 0.00 N ATOM 583 CA ILE A 41 7.274 3.140 1.861 1.00 0.00 C ATOM 584 C ILE A 41 8.254 4.314 1.805 1.00 0.00 C ATOM 585 O ILE A 41 8.133 5.188 0.948 1.00 0.00 O ATOM 586 CB ILE A 41 7.145 2.382 0.539 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.635 0.958 0.770 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.466 2.399 -0.234 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.463 0.215 -0.556 1.00 0.00 C ATOM 0 H ILE A 41 5.492 4.218 1.632 1.00 0.00 H new ATOM 0 HA ILE A 41 7.677 2.421 2.574 1.00 0.00 H new ATOM 0 HB ILE A 41 6.405 2.893 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.335 0.416 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.682 0.990 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.347 1.853 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.749 3.430 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.244 1.926 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.100 -0.794 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.744 0.746 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.422 0.163 -1.071 1.00 0.00 H new ATOM 601 N PHE A 42 9.204 4.296 2.729 1.00 0.00 N ATOM 602 CA PHE A 42 10.204 5.348 2.794 1.00 0.00 C ATOM 603 C PHE A 42 11.496 4.920 2.096 1.00 0.00 C ATOM 604 O PHE A 42 12.061 3.874 2.414 1.00 0.00 O ATOM 605 CB PHE A 42 10.496 5.595 4.276 1.00 0.00 C ATOM 606 CG PHE A 42 9.451 6.462 4.980 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.479 7.814 4.834 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.494 5.881 5.752 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.509 8.619 5.488 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.524 6.686 6.405 1.00 0.00 C ATOM 611 CZ PHE A 42 7.552 8.038 6.260 1.00 0.00 C ATOM 0 H PHE A 42 9.302 3.570 3.438 1.00 0.00 H new ATOM 0 HA PHE A 42 9.834 6.245 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.561 4.635 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.471 6.072 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.239 8.275 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.472 4.808 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.531 9.693 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.763 6.225 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.814 8.650 6.758 1.00 0.00 H new ATOM 621 N LEU A 43 11.927 5.750 1.158 1.00 0.00 N ATOM 622 CA LEU A 43 13.142 5.471 0.412 1.00 0.00 C ATOM 623 C LEU A 43 14.171 6.569 0.691 1.00 0.00 C ATOM 624 O LEU A 43 14.456 7.392 -0.178 1.00 0.00 O ATOM 625 CB LEU A 43 12.829 5.285 -1.074 1.00 0.00 C ATOM 626 CG LEU A 43 11.534 4.537 -1.398 1.00 0.00 C ATOM 627 CD1 LEU A 43 10.813 5.177 -2.585 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.804 3.048 -1.626 1.00 0.00 C ATOM 0 H LEU A 43 11.456 6.616 0.897 1.00 0.00 H new ATOM 0 HA LEU A 43 13.582 4.530 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.784 6.269 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.659 4.751 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 43 10.869 4.616 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.896 4.626 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.568 6.212 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.460 5.150 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.867 2.539 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.495 2.927 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.242 2.616 -0.726 1.00 0.00 H new ATOM 640 N ASN A 44 14.698 6.547 1.906 1.00 0.00 N ATOM 641 CA ASN A 44 15.689 7.530 2.310 1.00 0.00 C ATOM 642 C ASN A 44 17.081 7.040 1.910 1.00 0.00 C ATOM 643 O ASN A 44 17.794 6.454 2.723 1.00 0.00 O ATOM 644 CB ASN A 44 15.676 7.733 3.826 1.00 0.00 C ATOM 645 CG ASN A 44 16.563 8.913 4.229 1.00 0.00 C ATOM 646 OD1 ASN A 44 16.927 9.753 3.422 1.00 0.00 O ATOM 647 ND2 ASN A 44 16.889 8.930 5.518 1.00 0.00 N ATOM 0 H ASN A 44 14.457 5.864 2.624 1.00 0.00 H new ATOM 0 HA ASN A 44 15.449 8.472 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.655 7.909 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.024 6.826 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.478 9.677 5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.550 8.196 6.139 1.00 0.00 H new ATOM 654 N THR A 45 17.427 7.297 0.657 1.00 0.00 N ATOM 655 CA THR A 45 18.722 6.889 0.139 1.00 0.00 C ATOM 656 C THR A 45 18.873 5.369 0.219 1.00 0.00 C ATOM 657 O THR A 45 19.821 4.866 0.820 1.00 0.00 O ATOM 658 CB THR A 45 19.801 7.648 0.913 1.00 0.00 C ATOM 659 OG1 THR A 45 19.518 9.020 0.649 1.00 0.00 O ATOM 660 CG2 THR A 45 21.199 7.437 0.327 1.00 0.00 C ATOM 0 H THR A 45 16.833 7.783 -0.015 1.00 0.00 H new ATOM 0 HA THR A 45 18.822 7.139 -0.917 1.00 0.00 H new ATOM 0 HB THR A 45 19.792 7.329 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 45 20.170 9.584 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.928 7.997 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.449 6.376 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.217 7.787 -0.705 1.00 0.00 H new ATOM 668 N GLU A 46 17.924 4.678 -0.397 1.00 0.00 N ATOM 669 CA GLU A 46 17.940 3.225 -0.403 1.00 0.00 C ATOM 670 C GLU A 46 17.753 2.699 -1.827 1.00 0.00 C ATOM 671 O GLU A 46 18.667 2.107 -2.399 1.00 0.00 O ATOM 672 CB GLU A 46 16.871 2.662 0.535 1.00 0.00 C ATOM 673 CG GLU A 46 17.494 1.741 1.587 1.00 0.00 C ATOM 674 CD GLU A 46 16.420 0.917 2.299 1.00 0.00 C ATOM 675 OE1 GLU A 46 15.713 1.512 3.142 1.00 0.00 O ATOM 676 OE2 GLU A 46 16.330 -0.290 1.986 1.00 0.00 O ATOM 0 H GLU A 46 17.139 5.098 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 46 18.910 2.889 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.347 3.481 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.129 2.111 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.213 1.074 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.044 2.336 2.316 1.00 0.00 H new ATOM 683 N VAL A 47 16.562 2.932 -2.359 1.00 0.00 N ATOM 684 CA VAL A 47 16.243 2.489 -3.705 1.00 0.00 C ATOM 685 C VAL A 47 15.470 3.591 -4.431 1.00 0.00 C ATOM 686 O VAL A 47 15.198 4.645 -3.857 1.00 0.00 O ATOM 687 CB VAL A 47 15.484 1.161 -3.653 1.00 0.00 C ATOM 688 CG1 VAL A 47 16.323 0.077 -2.974 1.00 0.00 C ATOM 689 CG2 VAL A 47 14.134 1.329 -2.953 1.00 0.00 C ATOM 0 H VAL A 47 15.806 3.422 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 47 17.155 2.305 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 47 15.293 0.843 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.761 -0.857 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.248 -0.070 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.559 0.385 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.615 0.371 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.294 1.680 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.530 2.056 -3.497 1.00 0.00 H new ATOM 699 N SER A 48 15.138 3.311 -5.683 1.00 0.00 N ATOM 700 CA SER A 48 14.401 4.266 -6.493 1.00 0.00 C ATOM 701 C SER A 48 12.901 3.974 -6.412 1.00 0.00 C ATOM 702 O SER A 48 12.490 2.977 -5.821 1.00 0.00 O ATOM 703 CB SER A 48 14.871 4.231 -7.949 1.00 0.00 C ATOM 704 OG SER A 48 14.421 5.367 -8.682 1.00 0.00 O ATOM 0 H SER A 48 15.366 2.437 -6.156 1.00 0.00 H new ATOM 0 HA SER A 48 14.591 5.265 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.960 4.189 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.504 3.323 -8.427 1.00 0.00 H new ATOM 0 HG SER A 48 14.743 5.309 -9.606 1.00 0.00 H new ATOM 710 N LEU A 49 12.124 4.862 -7.015 1.00 0.00 N ATOM 711 CA LEU A 49 10.679 4.713 -7.018 1.00 0.00 C ATOM 712 C LEU A 49 10.311 3.372 -7.658 1.00 0.00 C ATOM 713 O LEU A 49 9.723 2.510 -7.006 1.00 0.00 O ATOM 714 CB LEU A 49 10.017 5.917 -7.690 1.00 0.00 C ATOM 715 CG LEU A 49 8.698 6.388 -7.074 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.033 7.451 -7.950 1.00 0.00 C ATOM 717 CD2 LEU A 49 7.767 5.205 -6.801 1.00 0.00 C ATOM 0 H LEU A 49 12.468 5.688 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 49 10.296 4.697 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.720 6.749 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.839 5.671 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 49 8.917 6.854 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.097 7.769 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.698 8.309 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.829 7.034 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.837 5.567 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.551 4.689 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.249 4.515 -6.109 1.00 0.00 H new ATOM 729 N SER A 50 10.673 3.239 -8.925 1.00 0.00 N ATOM 730 CA SER A 50 10.388 2.018 -9.660 1.00 0.00 C ATOM 731 C SER A 50 10.734 0.799 -8.803 1.00 0.00 C ATOM 732 O SER A 50 9.935 -0.129 -8.687 1.00 0.00 O ATOM 733 CB SER A 50 11.161 1.977 -10.980 1.00 0.00 C ATOM 734 OG SER A 50 12.565 1.845 -10.772 1.00 0.00 O ATOM 0 H SER A 50 11.161 3.956 -9.462 1.00 0.00 H new ATOM 0 HA SER A 50 9.323 1.999 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.804 1.143 -11.584 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.962 2.888 -11.545 1.00 0.00 H new ATOM 0 HG SER A 50 13.023 1.821 -11.638 1.00 0.00 H new ATOM 740 N GLN A 51 11.925 0.840 -8.226 1.00 0.00 N ATOM 741 CA GLN A 51 12.386 -0.250 -7.383 1.00 0.00 C ATOM 742 C GLN A 51 11.279 -0.680 -6.418 1.00 0.00 C ATOM 743 O GLN A 51 11.181 -1.854 -6.064 1.00 0.00 O ATOM 744 CB GLN A 51 13.654 0.144 -6.622 1.00 0.00 C ATOM 745 CG GLN A 51 14.889 -0.520 -7.235 1.00 0.00 C ATOM 746 CD GLN A 51 15.187 0.052 -8.623 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.518 -0.242 -9.600 1.00 0.00 O ATOM 748 NE2 GLN A 51 16.226 0.882 -8.654 1.00 0.00 N ATOM 0 H GLN A 51 12.585 1.611 -8.325 1.00 0.00 H new ATOM 0 HA GLN A 51 12.634 -1.098 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.772 1.227 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.561 -0.148 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.749 -0.368 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.730 -1.596 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.743 1.085 -7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.506 1.316 -9.534 1.00 0.00 H new ATOM 757 N ALA A 52 10.474 0.294 -6.020 1.00 0.00 N ATOM 758 CA ALA A 52 9.378 0.031 -5.103 1.00 0.00 C ATOM 759 C ALA A 52 8.143 -0.395 -5.900 1.00 0.00 C ATOM 760 O ALA A 52 7.424 -1.308 -5.496 1.00 0.00 O ATOM 761 CB ALA A 52 9.119 1.272 -4.247 1.00 0.00 C ATOM 0 H ALA A 52 10.559 1.267 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 52 9.632 -0.785 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.297 1.074 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.017 1.516 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.859 2.111 -4.892 1.00 0.00 H new ATOM 767 N LEU A 53 7.936 0.285 -7.018 1.00 0.00 N ATOM 768 CA LEU A 53 6.801 -0.012 -7.875 1.00 0.00 C ATOM 769 C LEU A 53 6.877 -1.472 -8.327 1.00 0.00 C ATOM 770 O LEU A 53 5.874 -2.184 -8.310 1.00 0.00 O ATOM 771 CB LEU A 53 6.727 0.987 -9.031 1.00 0.00 C ATOM 772 CG LEU A 53 6.438 2.439 -8.646 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.259 3.312 -9.890 1.00 0.00 C ATOM 774 CD2 LEU A 53 5.235 2.528 -7.705 1.00 0.00 C ATOM 0 H LEU A 53 8.535 1.041 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 53 5.867 0.103 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.673 0.957 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.953 0.655 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 53 7.300 2.826 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.055 4.339 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.170 3.284 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.425 2.935 -10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.051 3.571 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.355 2.116 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.440 1.960 -6.797 1.00 0.00 H new ATOM 786 N GLU A 54 8.076 -1.874 -8.721 1.00 0.00 N ATOM 787 CA GLU A 54 8.296 -3.236 -9.177 1.00 0.00 C ATOM 788 C GLU A 54 7.984 -4.228 -8.055 1.00 0.00 C ATOM 789 O GLU A 54 7.493 -5.327 -8.311 1.00 0.00 O ATOM 790 CB GLU A 54 9.726 -3.419 -9.688 1.00 0.00 C ATOM 791 CG GLU A 54 10.106 -4.900 -9.735 1.00 0.00 C ATOM 792 CD GLU A 54 11.340 -5.122 -10.613 1.00 0.00 C ATOM 793 OE1 GLU A 54 12.401 -4.569 -10.252 1.00 0.00 O ATOM 794 OE2 GLU A 54 11.193 -5.840 -11.626 1.00 0.00 O ATOM 0 H GLU A 54 8.905 -1.281 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 54 7.620 -3.433 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.819 -2.984 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.419 -2.882 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.304 -5.261 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.270 -5.482 -10.123 1.00 0.00 H new ATOM 801 N ASP A 55 8.281 -3.806 -6.835 1.00 0.00 N ATOM 802 CA ASP A 55 8.039 -4.644 -5.673 1.00 0.00 C ATOM 803 C ASP A 55 6.564 -4.546 -5.278 1.00 0.00 C ATOM 804 O ASP A 55 5.991 -5.504 -4.762 1.00 0.00 O ATOM 805 CB ASP A 55 8.879 -4.186 -4.479 1.00 0.00 C ATOM 806 CG ASP A 55 10.207 -4.925 -4.301 1.00 0.00 C ATOM 807 OD1 ASP A 55 10.440 -5.869 -5.088 1.00 0.00 O ATOM 808 OD2 ASP A 55 10.958 -4.530 -3.384 1.00 0.00 O ATOM 0 H ASP A 55 8.687 -2.894 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 55 8.309 -5.667 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.085 -3.121 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.289 -4.307 -3.571 1.00 0.00 H new ATOM 813 N VAL A 56 5.991 -3.379 -5.536 1.00 0.00 N ATOM 814 CA VAL A 56 4.594 -3.144 -5.214 1.00 0.00 C ATOM 815 C VAL A 56 3.724 -4.145 -5.977 1.00 0.00 C ATOM 816 O VAL A 56 2.835 -4.768 -5.398 1.00 0.00 O ATOM 817 CB VAL A 56 4.227 -1.688 -5.507 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.726 -1.454 -5.327 1.00 0.00 C ATOM 819 CG2 VAL A 56 5.040 -0.731 -4.633 1.00 0.00 C ATOM 0 H VAL A 56 6.469 -2.586 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 56 4.415 -3.302 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 56 4.475 -1.483 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.492 -0.411 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.173 -2.098 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.442 -1.686 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.760 0.297 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.838 -0.937 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.103 -0.870 -4.832 1.00 0.00 H new ATOM 829 N SER A 57 4.010 -4.269 -7.264 1.00 0.00 N ATOM 830 CA SER A 57 3.265 -5.183 -8.112 1.00 0.00 C ATOM 831 C SER A 57 3.531 -6.628 -7.685 1.00 0.00 C ATOM 832 O SER A 57 2.619 -7.328 -7.247 1.00 0.00 O ATOM 833 CB SER A 57 3.629 -4.990 -9.585 1.00 0.00 C ATOM 834 OG SER A 57 4.091 -6.197 -10.184 1.00 0.00 O ATOM 0 H SER A 57 4.748 -3.751 -7.741 1.00 0.00 H new ATOM 0 HA SER A 57 2.203 -4.966 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.757 -4.626 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.400 -4.225 -9.670 1.00 0.00 H new ATOM 0 HG SER A 57 4.311 -6.032 -11.125 1.00 0.00 H new ATOM 840 N ARG A 58 4.785 -7.032 -7.827 1.00 0.00 N ATOM 841 CA ARG A 58 5.183 -8.381 -7.461 1.00 0.00 C ATOM 842 C ARG A 58 4.727 -8.700 -6.036 1.00 0.00 C ATOM 843 O ARG A 58 4.289 -9.815 -5.756 1.00 0.00 O ATOM 844 CB ARG A 58 6.701 -8.551 -7.554 1.00 0.00 C ATOM 845 CG ARG A 58 7.361 -8.333 -6.191 1.00 0.00 C ATOM 846 CD ARG A 58 8.886 -8.380 -6.308 1.00 0.00 C ATOM 847 NE ARG A 58 9.447 -9.258 -5.257 1.00 0.00 N ATOM 848 CZ ARG A 58 10.741 -9.599 -5.174 1.00 0.00 C ATOM 849 NH1 ARG A 58 11.614 -9.139 -6.081 1.00 0.00 N ATOM 850 NH2 ARG A 58 11.160 -10.401 -4.186 1.00 0.00 N ATOM 0 H ARG A 58 5.539 -6.449 -8.191 1.00 0.00 H new ATOM 0 HA ARG A 58 4.708 -9.069 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.937 -9.550 -7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.106 -7.842 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.053 -7.370 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.022 -9.098 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.172 -8.749 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.298 -7.375 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 58 8.809 -9.627 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.294 -8.530 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.599 -9.398 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.495 -10.752 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.144 -10.661 -4.123 1.00 0.00 H new ATOM 864 N GLY A 59 4.845 -7.702 -5.173 1.00 0.00 N ATOM 865 CA GLY A 59 4.450 -7.863 -3.784 1.00 0.00 C ATOM 866 C GLY A 59 2.957 -8.179 -3.671 1.00 0.00 C ATOM 867 O GLY A 59 2.537 -8.895 -2.764 1.00 0.00 O ATOM 0 H GLY A 59 5.209 -6.779 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.031 -8.665 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.675 -6.952 -3.230 1.00 0.00 H new ATOM 871 N GLY A 60 2.197 -7.629 -4.607 1.00 0.00 N ATOM 872 CA GLY A 60 0.760 -7.843 -4.624 1.00 0.00 C ATOM 873 C GLY A 60 0.007 -6.512 -4.676 1.00 0.00 C ATOM 874 O GLY A 60 -1.045 -6.413 -5.305 1.00 0.00 O ATOM 0 H GLY A 60 2.549 -7.036 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.490 -8.452 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.461 -8.399 -3.736 1.00 0.00 H new ATOM 878 N SER A 61 0.577 -5.521 -4.005 1.00 0.00 N ATOM 879 CA SER A 61 -0.027 -4.200 -3.967 1.00 0.00 C ATOM 880 C SER A 61 -0.616 -3.853 -5.336 1.00 0.00 C ATOM 881 O SER A 61 0.120 -3.669 -6.304 1.00 0.00 O ATOM 882 CB SER A 61 0.993 -3.140 -3.545 1.00 0.00 C ATOM 883 OG SER A 61 0.973 -2.910 -2.139 1.00 0.00 O ATOM 0 H SER A 61 1.450 -5.607 -3.484 1.00 0.00 H new ATOM 0 HA SER A 61 -0.827 -4.212 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.991 -3.457 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.784 -2.207 -4.068 1.00 0.00 H new ATOM 0 HG SER A 61 0.045 -2.846 -1.831 1.00 0.00 H new ATOM 889 N PRO A 62 -1.973 -3.774 -5.374 1.00 0.00 N ATOM 890 CA PRO A 62 -2.669 -3.454 -6.609 1.00 0.00 C ATOM 891 C PRO A 62 -2.539 -1.966 -6.941 1.00 0.00 C ATOM 892 O PRO A 62 -2.331 -1.601 -8.097 1.00 0.00 O ATOM 893 CB PRO A 62 -4.107 -3.885 -6.373 1.00 0.00 C ATOM 894 CG PRO A 62 -4.266 -4.000 -4.865 1.00 0.00 C ATOM 895 CD PRO A 62 -2.877 -3.987 -4.248 1.00 0.00 C ATOM 0 HA PRO A 62 -2.249 -3.968 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.806 -3.157 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.314 -4.837 -6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.863 -3.173 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.791 -4.920 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.780 -3.193 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.661 -4.926 -3.739 1.00 0.00 H new ATOM 903 N PHE A 63 -2.666 -1.148 -5.907 1.00 0.00 N ATOM 904 CA PHE A 63 -2.564 0.292 -6.075 1.00 0.00 C ATOM 905 C PHE A 63 -1.326 0.841 -5.364 1.00 0.00 C ATOM 906 O PHE A 63 -0.924 0.325 -4.323 1.00 0.00 O ATOM 907 CB PHE A 63 -3.815 0.905 -5.443 1.00 0.00 C ATOM 908 CG PHE A 63 -5.128 0.398 -6.042 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.123 -0.256 -7.235 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.300 0.602 -5.383 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.342 -0.727 -7.791 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.519 0.131 -5.940 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.514 -0.523 -7.132 1.00 0.00 C ATOM 0 H PHE A 63 -2.839 -1.455 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.480 0.538 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.810 0.693 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.772 1.988 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.192 -0.417 -7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.304 1.122 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.338 -1.247 -8.737 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.450 0.292 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.441 -0.881 -7.556 1.00 0.00 H new ATOM 923 N ALA A 64 -0.756 1.881 -5.955 1.00 0.00 N ATOM 924 CA ALA A 64 0.428 2.506 -5.390 1.00 0.00 C ATOM 925 C ALA A 64 0.295 4.027 -5.493 1.00 0.00 C ATOM 926 O ALA A 64 0.052 4.561 -6.574 1.00 0.00 O ATOM 927 CB ALA A 64 1.673 1.980 -6.107 1.00 0.00 C ATOM 0 H ALA A 64 -1.092 2.306 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 64 0.528 2.255 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.562 2.448 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.737 0.899 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.609 2.217 -7.169 1.00 0.00 H new ATOM 933 N ILE A 65 0.460 4.682 -4.353 1.00 0.00 N ATOM 934 CA ILE A 65 0.361 6.131 -4.301 1.00 0.00 C ATOM 935 C ILE A 65 1.766 6.736 -4.361 1.00 0.00 C ATOM 936 O ILE A 65 2.654 6.324 -3.617 1.00 0.00 O ATOM 937 CB ILE A 65 -0.446 6.569 -3.078 1.00 0.00 C ATOM 938 CG1 ILE A 65 -1.946 6.561 -3.379 1.00 0.00 C ATOM 939 CG2 ILE A 65 0.029 7.931 -2.568 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.762 6.387 -2.096 1.00 0.00 C ATOM 0 H ILE A 65 0.662 4.236 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.186 6.507 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.275 5.848 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.227 7.493 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.177 5.753 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.561 8.220 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.081 7.868 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.094 8.677 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.825 6.385 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.496 5.443 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.547 7.209 -1.414 1.00 0.00 H new ATOM 952 N VAL A 66 1.921 7.702 -5.253 1.00 0.00 N ATOM 953 CA VAL A 66 3.202 8.368 -5.419 1.00 0.00 C ATOM 954 C VAL A 66 3.224 9.642 -4.572 1.00 0.00 C ATOM 955 O VAL A 66 2.383 10.522 -4.748 1.00 0.00 O ATOM 956 CB VAL A 66 3.466 8.632 -6.903 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.578 10.133 -7.181 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.718 7.892 -7.378 1.00 0.00 C ATOM 0 H VAL A 66 1.181 8.040 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 66 4.012 7.730 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 66 2.616 8.249 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.766 10.293 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.648 10.626 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.401 10.550 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.882 8.097 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.581 8.231 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.584 6.820 -7.233 1.00 0.00 H new ATOM 968 N ILE A 67 4.194 9.699 -3.672 1.00 0.00 N ATOM 969 CA ILE A 67 4.337 10.850 -2.797 1.00 0.00 C ATOM 970 C ILE A 67 5.759 11.401 -2.913 1.00 0.00 C ATOM 971 O ILE A 67 6.729 10.647 -2.836 1.00 0.00 O ATOM 972 CB ILE A 67 3.931 10.490 -1.367 1.00 0.00 C ATOM 973 CG1 ILE A 67 2.612 9.716 -1.349 1.00 0.00 C ATOM 974 CG2 ILE A 67 3.877 11.736 -0.481 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.418 10.665 -1.466 1.00 0.00 C ATOM 0 H ILE A 67 4.889 8.966 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 67 3.661 11.648 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 67 4.695 9.833 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.595 9.001 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.536 9.142 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.586 11.451 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.859 12.208 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.147 12.438 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.493 10.089 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.425 11.363 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.485 11.220 -2.402 1.00 0.00 H new ATOM 987 N THR A 68 5.840 12.711 -3.097 1.00 0.00 N ATOM 988 CA THR A 68 7.128 13.371 -3.224 1.00 0.00 C ATOM 989 C THR A 68 7.069 14.775 -2.621 1.00 0.00 C ATOM 990 O THR A 68 6.132 15.105 -1.896 1.00 0.00 O ATOM 991 CB THR A 68 7.520 13.361 -4.703 1.00 0.00 C ATOM 992 OG1 THR A 68 6.394 13.931 -5.365 1.00 0.00 O ATOM 993 CG2 THR A 68 7.611 11.945 -5.275 1.00 0.00 C ATOM 0 H THR A 68 5.034 13.333 -3.161 1.00 0.00 H new ATOM 0 HA THR A 68 7.900 12.843 -2.664 1.00 0.00 H new ATOM 0 HB THR A 68 8.478 13.865 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.789 13.217 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.892 11.995 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.362 11.378 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.644 11.452 -5.181 1.00 0.00 H new ATOM 1001 N GLN A 69 8.083 15.565 -2.942 1.00 0.00 N ATOM 1002 CA GLN A 69 8.159 16.927 -2.440 1.00 0.00 C ATOM 1003 C GLN A 69 7.136 17.813 -3.154 1.00 0.00 C ATOM 1004 O GLN A 69 6.205 18.319 -2.529 1.00 0.00 O ATOM 1005 CB GLN A 69 9.574 17.490 -2.593 1.00 0.00 C ATOM 1006 CG GLN A 69 10.120 17.973 -1.248 1.00 0.00 C ATOM 1007 CD GLN A 69 11.276 18.955 -1.447 1.00 0.00 C ATOM 1008 OE1 GLN A 69 11.122 20.031 -2.002 1.00 0.00 O ATOM 1009 NE2 GLN A 69 12.439 18.527 -0.965 1.00 0.00 N ATOM 0 H GLN A 69 8.859 15.288 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 69 7.921 16.915 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.232 16.724 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.566 18.316 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.324 18.453 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.460 17.119 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.499 17.615 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.271 19.110 -1.049 1.00 0.00 H new ATOM 1018 N GLN A 70 7.344 17.974 -4.452 1.00 0.00 N ATOM 1019 CA GLN A 70 6.451 18.790 -5.257 1.00 0.00 C ATOM 1020 C GLN A 70 4.993 18.442 -4.952 1.00 0.00 C ATOM 1021 O GLN A 70 4.207 19.314 -4.583 1.00 0.00 O ATOM 1022 CB GLN A 70 6.753 18.626 -6.748 1.00 0.00 C ATOM 1023 CG GLN A 70 5.937 19.614 -7.585 1.00 0.00 C ATOM 1024 CD GLN A 70 6.832 20.367 -8.571 1.00 0.00 C ATOM 1025 OE1 GLN A 70 6.993 21.574 -8.506 1.00 0.00 O ATOM 1026 NE2 GLN A 70 7.404 19.589 -9.486 1.00 0.00 N ATOM 0 H GLN A 70 8.118 17.553 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 70 6.616 19.836 -4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.817 18.784 -6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.526 17.606 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.159 19.079 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.435 20.325 -6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.227 18.585 -9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.020 19.997 -10.189 1.00 0.00 H new ATOM 1035 N HIS A 71 4.676 17.167 -5.116 1.00 0.00 N ATOM 1036 CA HIS A 71 3.326 16.693 -4.862 1.00 0.00 C ATOM 1037 C HIS A 71 2.769 17.375 -3.611 1.00 0.00 C ATOM 1038 O HIS A 71 1.708 17.995 -3.658 1.00 0.00 O ATOM 1039 CB HIS A 71 3.295 15.166 -4.768 1.00 0.00 C ATOM 1040 CG HIS A 71 3.234 14.469 -6.106 1.00 0.00 C ATOM 1041 ND1 HIS A 71 4.101 13.451 -6.461 1.00 0.00 N ATOM 1042 CD2 HIS A 71 2.401 14.655 -7.170 1.00 0.00 C ATOM 1043 CE1 HIS A 71 3.795 13.049 -7.686 1.00 0.00 C ATOM 1044 NE2 HIS A 71 2.741 13.797 -8.124 1.00 0.00 N ATOM 0 H HIS A 71 5.331 16.447 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 71 2.680 16.961 -5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.183 14.827 -4.234 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.432 14.866 -4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.601 15.378 -7.227 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.292 12.267 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.289 13.711 -9.034 1.00 0.00 H new ATOM 1052 N GLN A 72 3.511 17.238 -2.521 1.00 0.00 N ATOM 1053 CA GLN A 72 3.105 17.834 -1.260 1.00 0.00 C ATOM 1054 C GLN A 72 2.494 19.216 -1.498 1.00 0.00 C ATOM 1055 O GLN A 72 1.486 19.568 -0.885 1.00 0.00 O ATOM 1056 CB GLN A 72 4.283 17.915 -0.287 1.00 0.00 C ATOM 1057 CG GLN A 72 3.807 18.278 1.121 1.00 0.00 C ATOM 1058 CD GLN A 72 4.736 19.310 1.764 1.00 0.00 C ATOM 1059 OE1 GLN A 72 5.771 19.671 1.229 1.00 0.00 O ATOM 1060 NE2 GLN A 72 4.309 19.762 2.940 1.00 0.00 N ATOM 0 H GLN A 72 4.391 16.723 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 72 2.346 17.196 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.806 16.959 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.998 18.660 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.793 18.675 1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.771 17.381 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.432 19.417 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.858 20.453 3.451 1.00 0.00 H new ATOM 1069 N ILE A 73 3.129 19.963 -2.389 1.00 0.00 N ATOM 1070 CA ILE A 73 2.660 21.299 -2.716 1.00 0.00 C ATOM 1071 C ILE A 73 1.277 21.206 -3.362 1.00 0.00 C ATOM 1072 O ILE A 73 0.347 21.897 -2.949 1.00 0.00 O ATOM 1073 CB ILE A 73 3.692 22.034 -3.573 1.00 0.00 C ATOM 1074 CG1 ILE A 73 5.050 22.089 -2.871 1.00 0.00 C ATOM 1075 CG2 ILE A 73 3.191 23.427 -3.962 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.194 21.956 -3.878 1.00 0.00 C ATOM 0 H ILE A 73 3.964 19.669 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 73 2.549 21.896 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 73 3.830 21.472 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.145 23.030 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.115 21.289 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.944 23.928 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.266 23.335 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.006 24.012 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.148 21.998 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.110 21.003 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.141 22.772 -4.599 1.00 0.00 H new ATOM 1088 N HIS A 74 1.185 20.347 -4.367 1.00 0.00 N ATOM 1089 CA HIS A 74 -0.069 20.155 -5.075 1.00 0.00 C ATOM 1090 C HIS A 74 -1.015 19.308 -4.222 1.00 0.00 C ATOM 1091 O HIS A 74 -2.151 19.049 -4.618 1.00 0.00 O ATOM 1092 CB HIS A 74 0.176 19.556 -6.461 1.00 0.00 C ATOM 1093 CG HIS A 74 1.329 20.184 -7.206 1.00 0.00 C ATOM 1094 ND1 HIS A 74 1.197 21.339 -7.956 1.00 0.00 N ATOM 1095 CD2 HIS A 74 2.636 19.806 -7.309 1.00 0.00 C ATOM 1096 CE1 HIS A 74 2.377 21.634 -8.482 1.00 0.00 C ATOM 1097 NE2 HIS A 74 3.267 20.683 -8.080 1.00 0.00 N ATOM 0 H HIS A 74 1.959 19.776 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.549 21.120 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.364 18.487 -6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.730 19.663 -7.057 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.337 21.873 -8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.082 18.940 -6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.595 22.479 -9.118 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.513 18.899 -3.066 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.299 18.087 -2.153 1.00 0.00 C ATOM 1107 C ARG A 75 -1.989 16.952 -2.913 1.00 0.00 C ATOM 1108 O ARG A 75 -3.032 16.458 -2.486 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.357 18.929 -1.438 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.853 19.397 -0.071 1.00 0.00 C ATOM 1111 CD ARG A 75 -1.948 20.919 0.057 1.00 0.00 C ATOM 1112 NE ARG A 75 -3.367 21.337 0.081 1.00 0.00 N ATOM 1113 CZ ARG A 75 -4.183 21.167 1.130 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -3.725 20.586 2.248 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -5.457 21.577 1.062 1.00 0.00 N ATOM 0 H ARG A 75 0.429 19.115 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.619 17.671 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.614 19.793 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.269 18.345 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.439 18.925 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.819 19.081 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.448 21.247 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.434 21.395 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.748 21.783 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.755 20.273 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.346 20.457 3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.806 22.019 0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.078 21.447 1.861 1.00 0.00 H new ATOM 1129 N SER A 76 -1.380 16.572 -4.026 1.00 0.00 N ATOM 1130 CA SER A 76 -1.923 15.505 -4.850 1.00 0.00 C ATOM 1131 C SER A 76 -0.876 14.405 -5.038 1.00 0.00 C ATOM 1132 O SER A 76 0.323 14.659 -4.933 1.00 0.00 O ATOM 1133 CB SER A 76 -2.383 16.037 -6.208 1.00 0.00 C ATOM 1134 OG SER A 76 -1.474 15.696 -7.251 1.00 0.00 O ATOM 0 H SER A 76 -0.515 16.984 -4.377 1.00 0.00 H new ATOM 0 HA SER A 76 -2.792 15.088 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.369 15.634 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.486 17.121 -6.157 1.00 0.00 H new ATOM 0 HG SER A 76 -1.804 16.052 -8.102 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.367 13.205 -5.312 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.489 12.065 -5.516 1.00 0.00 C ATOM 1142 C CYS A 77 -0.863 11.402 -6.842 1.00 0.00 C ATOM 1143 O CYS A 77 -1.856 11.771 -7.467 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.559 11.082 -4.346 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.282 10.943 -3.746 1.00 0.00 S ATOM 0 H CYS A 77 -2.362 12.997 -5.398 1.00 0.00 H new ATOM 0 HA CYS A 77 0.546 12.403 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.195 10.104 -4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.090 11.419 -3.538 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.337 10.072 -2.782 1.00 0.00 H new ATOM 1151 N THR A 78 -0.048 10.433 -7.233 1.00 0.00 N ATOM 1152 CA THR A 78 -0.281 9.715 -8.475 1.00 0.00 C ATOM 1153 C THR A 78 -0.672 8.264 -8.186 1.00 0.00 C ATOM 1154 O THR A 78 0.111 7.508 -7.613 1.00 0.00 O ATOM 1155 CB THR A 78 0.975 9.845 -9.339 1.00 0.00 C ATOM 1156 OG1 THR A 78 0.998 11.219 -9.713 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.850 9.098 -10.669 1.00 0.00 C ATOM 0 H THR A 78 0.774 10.128 -6.712 1.00 0.00 H new ATOM 0 HA THR A 78 -1.118 10.141 -9.027 1.00 0.00 H new ATOM 0 HB THR A 78 1.836 9.465 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.782 11.392 -10.274 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.768 9.222 -11.244 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.683 8.038 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.010 9.501 -11.235 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.884 7.918 -8.595 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.389 6.572 -8.388 1.00 0.00 C ATOM 1167 C VAL A 79 -2.016 5.701 -9.589 1.00 0.00 C ATOM 1168 O VAL A 79 -2.306 6.056 -10.731 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.895 6.613 -8.123 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.461 5.201 -7.959 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.214 7.476 -6.901 1.00 0.00 C ATOM 0 H VAL A 79 -2.531 8.548 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.930 6.123 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.375 7.069 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.533 5.258 -7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.282 4.629 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.972 4.708 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.291 7.488 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.716 7.063 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.862 8.493 -7.072 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.380 4.578 -9.292 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.965 3.654 -10.333 1.00 0.00 C ATOM 1183 C ASN A 80 -1.482 2.252 -10.001 1.00 0.00 C ATOM 1184 O ASN A 80 -1.103 1.672 -8.985 1.00 0.00 O ATOM 1185 CB ASN A 80 0.560 3.585 -10.433 1.00 0.00 C ATOM 1186 CG ASN A 80 1.130 4.876 -11.022 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.491 5.573 -11.793 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.366 5.156 -10.617 1.00 0.00 N ATOM 0 H ASN A 80 -1.142 4.287 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.372 4.008 -11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.985 3.413 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.849 2.738 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.835 5.997 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.845 4.530 -9.970 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.339 1.750 -10.877 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.912 0.427 -10.690 1.00 0.00 C ATOM 1197 C ILE A 81 -1.940 -0.625 -11.228 1.00 0.00 C ATOM 1198 O ILE A 81 -1.251 -0.389 -12.219 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.306 0.354 -11.314 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.336 1.076 -10.443 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.707 -1.097 -11.591 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.722 1.042 -11.090 1.00 0.00 C ATOM 0 H ILE A 81 -2.651 2.235 -11.718 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.053 0.218 -9.629 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.278 0.870 -12.274 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.378 0.607 -9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.027 2.110 -10.290 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.702 -1.121 -12.035 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.992 -1.547 -12.280 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.713 -1.658 -10.656 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.435 1.562 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.682 1.533 -12.062 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.038 0.007 -11.219 1.00 0.00 H new ATOM 1214 N MET A 82 -1.917 -1.764 -10.552 1.00 0.00 N ATOM 1215 CA MET A 82 -1.042 -2.853 -10.950 1.00 0.00 C ATOM 1216 C MET A 82 -1.849 -4.038 -11.485 1.00 0.00 C ATOM 1217 O MET A 82 -1.333 -4.850 -12.252 1.00 0.00 O ATOM 1218 CB MET A 82 -0.208 -3.304 -9.749 1.00 0.00 C ATOM 1219 CG MET A 82 0.482 -2.112 -9.082 1.00 0.00 C ATOM 1220 SD MET A 82 1.665 -1.386 -10.205 1.00 0.00 S ATOM 1221 CE MET A 82 2.960 -0.954 -9.054 1.00 0.00 C ATOM 0 H MET A 82 -2.491 -1.956 -9.731 1.00 0.00 H new ATOM 0 HA MET A 82 -0.387 -2.495 -11.744 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.848 -3.809 -9.026 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.540 -4.028 -10.072 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.260 -1.368 -8.791 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.984 -2.435 -8.170 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.784 -0.486 -9.592 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.570 -0.258 -8.311 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.318 -1.854 -8.555 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.102 -4.100 -11.058 1.00 0.00 N ATOM 1232 CA PHE A 83 -3.986 -5.171 -11.485 1.00 0.00 C ATOM 1233 C PHE A 83 -4.985 -4.674 -12.531 1.00 0.00 C ATOM 1234 O PHE A 83 -5.260 -3.478 -12.613 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.752 -5.639 -10.246 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.136 -5.004 -10.094 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.176 -5.451 -10.847 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.325 -3.992 -9.205 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.460 -4.862 -10.705 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.609 -3.403 -9.063 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.650 -3.850 -9.817 1.00 0.00 C ATOM 0 H PHE A 83 -3.526 -3.426 -10.421 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.405 -5.977 -11.932 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.863 -6.723 -10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.160 -5.413 -9.359 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.025 -6.254 -11.553 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.499 -3.637 -8.607 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.286 -5.218 -11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.760 -2.600 -8.357 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.626 -3.401 -9.710 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.503 -5.618 -13.304 1.00 0.00 N ATOM 1252 CA GLY A 84 -6.466 -5.291 -14.341 1.00 0.00 C ATOM 1253 C GLY A 84 -5.849 -4.364 -15.390 1.00 0.00 C ATOM 1254 O GLY A 84 -4.643 -4.124 -15.379 1.00 0.00 O ATOM 0 H GLY A 84 -5.273 -6.609 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.815 -6.206 -14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.338 -4.812 -13.895 1.00 0.00 H new ATOM 1258 N THR A 85 -6.705 -3.869 -16.272 1.00 0.00 N ATOM 1259 CA THR A 85 -6.258 -2.974 -17.326 1.00 0.00 C ATOM 1260 C THR A 85 -5.233 -1.978 -16.781 1.00 0.00 C ATOM 1261 O THR A 85 -5.315 -1.566 -15.625 1.00 0.00 O ATOM 1262 CB THR A 85 -7.493 -2.304 -17.932 1.00 0.00 C ATOM 1263 OG1 THR A 85 -8.032 -3.293 -18.805 1.00 0.00 O ATOM 1264 CG2 THR A 85 -7.133 -1.143 -18.861 1.00 0.00 C ATOM 0 H THR A 85 -7.705 -4.070 -16.278 1.00 0.00 H new ATOM 0 HA THR A 85 -5.745 -3.520 -18.117 1.00 0.00 H new ATOM 0 HB THR A 85 -8.138 -1.942 -17.132 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.838 -2.942 -19.239 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.045 -0.703 -19.264 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.582 -0.387 -18.302 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.515 -1.511 -19.680 1.00 0.00 H new ATOM 1272 N PRO A 86 -4.265 -1.609 -17.663 1.00 0.00 N ATOM 1273 CA PRO A 86 -3.224 -0.670 -17.282 1.00 0.00 C ATOM 1274 C PRO A 86 -3.769 0.759 -17.230 1.00 0.00 C ATOM 1275 O PRO A 86 -3.735 1.477 -18.228 1.00 0.00 O ATOM 1276 CB PRO A 86 -2.131 -0.851 -18.322 1.00 0.00 C ATOM 1277 CG PRO A 86 -2.790 -1.544 -19.503 1.00 0.00 C ATOM 1278 CD PRO A 86 -4.136 -2.077 -19.040 1.00 0.00 C ATOM 0 HA PRO A 86 -2.836 -0.855 -16.280 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.711 0.110 -18.618 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.310 -1.449 -17.926 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.920 -0.847 -20.331 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.162 -2.357 -19.867 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.947 -1.701 -19.664 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.171 -3.165 -19.094 1.00 0.00 H new ATOM 1286 N GLN A 87 -4.257 1.130 -16.055 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.808 2.460 -15.860 1.00 0.00 C ATOM 1288 C GLN A 87 -3.886 3.290 -14.965 1.00 0.00 C ATOM 1289 O GLN A 87 -3.717 2.982 -13.786 1.00 0.00 O ATOM 1290 CB GLN A 87 -6.220 2.389 -15.276 1.00 0.00 C ATOM 1291 CG GLN A 87 -7.266 2.788 -16.318 1.00 0.00 C ATOM 1292 CD GLN A 87 -7.444 4.307 -16.362 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -6.493 5.071 -16.345 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -8.714 4.701 -16.419 1.00 0.00 N ATOM 0 H GLN A 87 -4.282 0.533 -15.229 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.877 2.949 -16.832 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.421 1.377 -14.923 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.293 3.049 -14.411 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.963 2.425 -17.300 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.219 2.313 -16.083 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.463 4.008 -16.430 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.938 5.695 -16.452 1.00 0.00 H new ATOM 1303 N GLU A 88 -3.313 4.327 -15.559 1.00 0.00 N ATOM 1304 CA GLU A 88 -2.412 5.204 -14.831 1.00 0.00 C ATOM 1305 C GLU A 88 -3.032 6.595 -14.680 1.00 0.00 C ATOM 1306 O GLU A 88 -3.147 7.336 -15.654 1.00 0.00 O ATOM 1307 CB GLU A 88 -1.048 5.283 -15.519 1.00 0.00 C ATOM 1308 CG GLU A 88 0.070 5.497 -14.497 1.00 0.00 C ATOM 1309 CD GLU A 88 1.421 5.677 -15.193 1.00 0.00 C ATOM 1310 OE1 GLU A 88 1.432 6.355 -16.243 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.412 5.134 -14.658 1.00 0.00 O ATOM 0 H GLU A 88 -3.456 4.579 -16.537 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.256 4.787 -13.836 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.865 4.365 -16.077 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.047 6.100 -16.240 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.150 6.375 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.116 4.644 -13.819 1.00 0.00 H new ATOM 1318 N HIS A 89 -3.415 6.906 -13.450 1.00 0.00 N ATOM 1319 CA HIS A 89 -4.020 8.195 -13.159 1.00 0.00 C ATOM 1320 C HIS A 89 -2.948 9.163 -12.654 1.00 0.00 C ATOM 1321 O HIS A 89 -2.407 8.981 -11.564 1.00 0.00 O ATOM 1322 CB HIS A 89 -5.186 8.039 -12.181 1.00 0.00 C ATOM 1323 CG HIS A 89 -6.383 7.324 -12.762 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -7.582 7.963 -13.029 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.553 6.021 -13.126 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -8.427 7.074 -13.528 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.788 5.871 -13.587 1.00 0.00 N ATOM 0 H HIS A 89 -3.318 6.288 -12.644 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.441 8.618 -14.071 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.840 7.493 -11.303 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.496 9.027 -11.840 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -7.781 8.951 -12.869 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.808 5.243 -13.052 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.444 7.268 -13.835 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.674 10.170 -13.469 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.676 11.167 -13.118 1.00 0.00 C ATOM 1337 C ARG A 90 -2.355 12.447 -12.627 1.00 0.00 C ATOM 1338 O ARG A 90 -3.383 12.855 -13.165 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.784 11.498 -14.316 1.00 0.00 C ATOM 1340 CG ARG A 90 0.350 10.481 -14.453 1.00 0.00 C ATOM 1341 CD ARG A 90 1.201 10.771 -15.692 1.00 0.00 C ATOM 1342 NE ARG A 90 2.638 10.724 -15.342 1.00 0.00 N ATOM 1343 CZ ARG A 90 3.611 11.266 -16.086 1.00 0.00 C ATOM 1344 NH1 ARG A 90 3.307 11.899 -17.227 1.00 0.00 N ATOM 1345 NH2 ARG A 90 4.888 11.174 -15.690 1.00 0.00 N ATOM 0 H ARG A 90 -3.125 10.318 -14.372 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.057 10.752 -12.322 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.382 11.506 -15.227 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.368 12.498 -14.198 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.977 10.508 -13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.065 9.475 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.984 10.040 -16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.948 11.752 -16.095 1.00 0.00 H new ATOM 0 HE ARG A 90 2.904 10.249 -14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.335 11.968 -17.529 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.047 12.312 -17.794 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.119 10.691 -14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.629 11.587 -16.257 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.752 13.045 -11.609 1.00 0.00 N ATOM 1360 CA ASN A 91 -2.286 14.270 -11.039 1.00 0.00 C ATOM 1361 C ASN A 91 -3.746 14.048 -10.640 1.00 0.00 C ATOM 1362 O ASN A 91 -4.650 14.231 -11.453 1.00 0.00 O ATOM 1363 CB ASN A 91 -2.242 15.414 -12.054 1.00 0.00 C ATOM 1364 CG ASN A 91 -2.162 16.770 -11.349 1.00 0.00 C ATOM 1365 OD1 ASN A 91 -1.101 17.348 -11.177 1.00 0.00 O ATOM 1366 ND2 ASN A 91 -3.340 17.243 -10.951 1.00 0.00 N ATOM 0 H ASN A 91 -0.899 12.704 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.678 14.532 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.380 15.290 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.130 15.380 -12.685 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.393 18.141 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.190 16.708 -11.127 1.00 0.00 H new ATOM 1373 N MET A 92 -3.931 13.658 -9.387 1.00 0.00 N ATOM 1374 CA MET A 92 -5.265 13.409 -8.870 1.00 0.00 C ATOM 1375 C MET A 92 -5.407 13.939 -7.441 1.00 0.00 C ATOM 1376 O MET A 92 -4.509 13.766 -6.619 1.00 0.00 O ATOM 1377 CB MET A 92 -5.548 11.905 -8.887 1.00 0.00 C ATOM 1378 CG MET A 92 -6.227 11.490 -10.194 1.00 0.00 C ATOM 1379 SD MET A 92 -7.996 11.687 -10.051 1.00 0.00 S ATOM 1380 CE MET A 92 -8.395 10.226 -9.106 1.00 0.00 C ATOM 0 H MET A 92 -3.178 13.508 -8.715 1.00 0.00 H new ATOM 0 HA MET A 92 -5.983 13.930 -9.504 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.615 11.354 -8.767 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.185 11.641 -8.042 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.850 12.096 -11.018 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.986 10.453 -10.426 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.478 10.125 -9.032 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.982 9.348 -9.602 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.969 10.312 -8.106 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.573 14.591 -7.184 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.844 15.147 -5.869 1.00 0.00 C ATOM 1392 C PRO A 93 -7.200 14.045 -4.870 1.00 0.00 C ATOM 1393 O PRO A 93 -7.839 13.058 -5.230 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.975 16.139 -6.087 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.607 15.764 -7.418 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.659 14.815 -8.133 1.00 0.00 C ATOM 0 HA PRO A 93 -5.975 15.642 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.704 16.084 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.599 17.162 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.575 15.289 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.783 16.654 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.156 13.881 -8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.290 15.250 -9.062 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.769 14.249 -3.634 1.00 0.00 N ATOM 1405 CA GLN A 94 -7.034 13.285 -2.580 1.00 0.00 C ATOM 1406 C GLN A 94 -8.447 12.715 -2.724 1.00 0.00 C ATOM 1407 O GLN A 94 -8.617 11.552 -3.088 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.835 13.913 -1.199 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.506 13.473 -0.582 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.636 14.682 -0.234 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -5.067 15.625 0.409 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -3.390 14.603 -0.694 1.00 0.00 N ATOM 0 H GLN A 94 -6.238 15.068 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.321 12.466 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.859 14.999 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.657 13.626 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.695 12.886 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.974 12.826 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.094 13.785 -1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.731 15.361 -0.515 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.424 13.560 -2.432 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.817 13.155 -2.525 1.00 0.00 C ATOM 1423 C ALA A 95 -10.996 12.234 -3.733 1.00 0.00 C ATOM 1424 O ALA A 95 -11.371 11.072 -3.582 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.706 14.398 -2.603 1.00 0.00 C ATOM 0 H ALA A 95 -9.279 14.524 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.114 12.596 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.751 14.094 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.563 15.004 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.438 14.982 -3.484 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.719 12.787 -4.905 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.845 12.028 -6.138 1.00 0.00 C ATOM 1433 C ASP A 96 -10.188 10.658 -5.959 1.00 0.00 C ATOM 1434 O ASP A 96 -10.846 9.628 -6.098 1.00 0.00 O ATOM 1435 CB ASP A 96 -10.143 12.741 -7.296 1.00 0.00 C ATOM 1436 CG ASP A 96 -11.047 13.634 -8.148 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.748 14.473 -7.543 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -11.016 13.458 -9.385 1.00 0.00 O ATOM 0 H ASP A 96 -10.408 13.751 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.906 11.927 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.334 13.349 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.686 11.991 -7.941 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.900 10.690 -5.652 1.00 0.00 N ATOM 1444 CA ALA A 97 -8.147 9.464 -5.452 1.00 0.00 C ATOM 1445 C ALA A 97 -8.926 8.540 -4.514 1.00 0.00 C ATOM 1446 O ALA A 97 -9.098 7.357 -4.804 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.755 9.801 -4.915 1.00 0.00 C ATOM 0 H ALA A 97 -8.358 11.547 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.013 8.938 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.190 8.881 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.232 10.435 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.849 10.328 -3.965 1.00 0.00 H new ATOM 1453 N MET A 98 -9.376 9.115 -3.408 1.00 0.00 N ATOM 1454 CA MET A 98 -10.132 8.358 -2.425 1.00 0.00 C ATOM 1455 C MET A 98 -11.389 7.750 -3.051 1.00 0.00 C ATOM 1456 O MET A 98 -11.883 6.723 -2.587 1.00 0.00 O ATOM 1457 CB MET A 98 -10.530 9.277 -1.269 1.00 0.00 C ATOM 1458 CG MET A 98 -9.430 9.331 -0.207 1.00 0.00 C ATOM 1459 SD MET A 98 -8.464 10.819 -0.405 1.00 0.00 S ATOM 1460 CE MET A 98 -6.985 10.135 -1.132 1.00 0.00 C ATOM 0 H MET A 98 -9.231 10.097 -3.171 1.00 0.00 H new ATOM 0 HA MET A 98 -9.504 7.547 -2.056 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.724 10.280 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.457 8.921 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.873 9.305 0.789 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.786 8.455 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.313 10.944 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.488 9.491 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.249 9.552 -2.014 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.871 8.410 -4.093 1.00 0.00 N ATOM 1471 CA VAL A 99 -13.061 7.947 -4.787 1.00 0.00 C ATOM 1472 C VAL A 99 -12.662 6.909 -5.838 1.00 0.00 C ATOM 1473 O VAL A 99 -13.290 5.857 -5.945 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.818 9.138 -5.380 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.734 9.135 -6.907 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.274 9.151 -4.910 1.00 0.00 C ATOM 0 H VAL A 99 -11.459 9.262 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.743 7.459 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.342 10.051 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.280 9.991 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.690 9.197 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.172 8.215 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.789 10.007 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.767 8.231 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.305 9.224 -3.823 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.622 7.242 -6.587 1.00 0.00 N ATOM 1487 CA LEU A 100 -11.132 6.352 -7.626 1.00 0.00 C ATOM 1488 C LEU A 100 -10.640 5.052 -6.988 1.00 0.00 C ATOM 1489 O LEU A 100 -10.676 3.995 -7.616 1.00 0.00 O ATOM 1490 CB LEU A 100 -10.076 7.056 -8.481 1.00 0.00 C ATOM 1491 CG LEU A 100 -9.027 6.151 -9.131 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.979 6.368 -10.645 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.656 6.344 -8.480 1.00 0.00 C ATOM 0 H LEU A 100 -11.105 8.116 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.937 6.086 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.586 7.611 -9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.561 7.787 -7.858 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.319 5.114 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.226 5.713 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.954 6.139 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.724 7.406 -10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.929 5.689 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.341 7.381 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.719 6.099 -7.420 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.192 5.172 -5.746 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.694 4.020 -5.016 1.00 0.00 C ATOM 1507 C VAL A 101 -10.870 3.277 -4.379 1.00 0.00 C ATOM 1508 O VAL A 101 -10.974 2.057 -4.494 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.642 4.461 -3.996 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.296 4.851 -2.668 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.588 3.372 -3.789 1.00 0.00 C ATOM 0 H VAL A 101 -10.164 6.050 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.199 3.324 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.139 5.342 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.527 5.160 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.990 5.675 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.837 3.996 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.853 3.711 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.069 2.465 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.090 3.163 -4.736 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.726 4.045 -3.720 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.891 3.475 -3.065 1.00 0.00 C ATOM 1523 C ALA A 102 -13.809 2.851 -4.117 1.00 0.00 C ATOM 1524 O ALA A 102 -14.501 1.872 -3.841 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.595 4.557 -2.244 1.00 0.00 C ATOM 0 H ALA A 102 -11.636 5.057 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.595 2.684 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.469 4.130 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.909 4.946 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.909 5.367 -2.903 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.785 3.443 -5.303 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.607 2.957 -6.398 1.00 0.00 C ATOM 1533 C ARG A 103 -14.016 1.669 -6.974 1.00 0.00 C ATOM 1534 O ARG A 103 -14.677 0.632 -6.990 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.715 4.002 -7.511 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.603 5.171 -7.080 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.904 5.196 -7.885 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.605 5.337 -9.327 1.00 0.00 N ATOM 1539 CZ ARG A 103 -17.528 5.589 -10.265 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -18.815 5.728 -9.918 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -17.165 5.701 -11.550 1.00 0.00 N ATOM 0 H ARG A 103 -13.209 4.254 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.603 2.759 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.721 4.370 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.125 3.541 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.830 5.087 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -15.067 6.110 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.467 4.279 -7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.531 6.023 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.635 5.236 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -19.092 5.642 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.518 5.920 -10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.186 5.594 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.868 5.893 -12.264 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.778 1.776 -7.433 1.00 0.00 N ATOM 1556 CA ASN A 104 -12.091 0.632 -8.008 1.00 0.00 C ATOM 1557 C ASN A 104 -12.062 -0.507 -6.986 1.00 0.00 C ATOM 1558 O ASN A 104 -12.466 -1.628 -7.291 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.645 0.982 -8.367 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.558 1.579 -9.773 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -10.125 0.943 -10.720 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -10.992 2.833 -9.855 1.00 0.00 N ATOM 0 H ASN A 104 -12.233 2.638 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.626 0.336 -8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.248 1.692 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -10.025 0.087 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.975 3.321 -10.751 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.342 3.307 -9.022 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.582 -0.179 -5.796 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.496 -1.161 -4.728 1.00 0.00 C ATOM 1571 C TYR A 105 -12.753 -2.032 -4.681 1.00 0.00 C ATOM 1572 O TYR A 105 -12.664 -3.258 -4.711 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.395 -0.361 -3.428 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.474 -1.218 -2.162 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.616 -2.287 -1.999 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.402 -0.923 -1.185 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -10.690 -3.094 -0.808 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.476 -1.730 0.005 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.616 -2.775 0.135 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.686 -3.537 1.260 1.00 0.00 O ATOM 0 H TYR A 105 -11.249 0.752 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.642 -1.821 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.454 0.189 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.196 0.378 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.890 -2.518 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -13.073 -0.087 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.025 -3.933 -0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -13.198 -1.510 0.777 1.00 0.00 H new ATOM 0 HH TYR A 105 -12.392 -3.192 1.845 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.894 -1.364 -4.609 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.168 -2.062 -4.558 1.00 0.00 C ATOM 1592 C GLU A 106 -15.192 -3.198 -5.583 1.00 0.00 C ATOM 1593 O GLU A 106 -15.278 -4.368 -5.215 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.332 -1.095 -4.783 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.634 -0.295 -3.515 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.871 -0.844 -2.801 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -18.047 -2.081 -2.841 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -18.613 -0.014 -2.232 1.00 0.00 O ATOM 0 H GLU A 106 -13.964 -0.347 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.285 -2.494 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.090 -0.413 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.219 -1.652 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.776 -0.333 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.793 0.753 -3.771 1.00 0.00 H new ATOM 1605 N ARG A 107 -15.115 -2.812 -6.848 1.00 0.00 N ATOM 1606 CA ARG A 107 -15.127 -3.784 -7.928 1.00 0.00 C ATOM 1607 C ARG A 107 -14.127 -4.907 -7.644 1.00 0.00 C ATOM 1608 O ARG A 107 -14.511 -6.070 -7.533 1.00 0.00 O ATOM 1609 CB ARG A 107 -14.777 -3.126 -9.265 1.00 0.00 C ATOM 1610 CG ARG A 107 -15.751 -3.561 -10.362 1.00 0.00 C ATOM 1611 CD ARG A 107 -15.090 -4.557 -11.318 1.00 0.00 C ATOM 1612 NE ARG A 107 -15.146 -4.041 -12.704 1.00 0.00 N ATOM 1613 CZ ARG A 107 -15.079 -4.815 -13.796 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -14.953 -6.143 -13.670 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -15.139 -4.260 -15.014 1.00 0.00 N ATOM 0 H ARG A 107 -15.044 -1.840 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 107 -16.134 -4.197 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.804 -2.042 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.759 -3.393 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.633 -4.015 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.091 -2.688 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.053 -4.723 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.596 -5.521 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.241 -3.034 -12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.908 -6.565 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.902 -6.732 -14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.236 -3.249 -15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.088 -4.848 -15.846 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.865 -4.518 -7.534 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.808 -5.478 -7.264 1.00 0.00 C ATOM 1631 C TYR A 108 -12.216 -6.445 -6.150 1.00 0.00 C ATOM 1632 O TYR A 108 -11.794 -7.600 -6.141 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.604 -4.658 -6.795 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.610 -5.446 -5.939 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -9.790 -5.527 -4.573 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -8.535 -6.075 -6.533 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -8.854 -6.269 -3.767 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -7.599 -6.816 -5.727 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.805 -6.876 -4.384 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.922 -7.576 -3.623 1.00 0.00 O ATOM 0 H TYR A 108 -12.551 -3.552 -7.627 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.591 -6.070 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -10.084 -4.264 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.961 -3.802 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.632 -5.035 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.395 -6.012 -7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -8.983 -6.341 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -6.753 -7.313 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.225 -7.957 -4.197 1.00 0.00 H new ATOM 1650 N LYS A 109 -13.032 -5.937 -5.239 1.00 0.00 N ATOM 1651 CA LYS A 109 -13.502 -6.741 -4.124 1.00 0.00 C ATOM 1652 C LYS A 109 -14.611 -7.677 -4.607 1.00 0.00 C ATOM 1653 O LYS A 109 -14.664 -8.840 -4.210 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.919 -5.845 -2.955 1.00 0.00 C ATOM 1655 CG LYS A 109 -13.177 -6.233 -1.675 1.00 0.00 C ATOM 1656 CD LYS A 109 -13.489 -5.253 -0.542 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.966 -5.324 -0.148 1.00 0.00 C ATOM 1658 NZ LYS A 109 -15.290 -6.655 0.412 1.00 0.00 N ATOM 0 H LYS A 109 -13.380 -4.978 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.698 -7.370 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.711 -4.803 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.994 -5.926 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.462 -7.242 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.103 -6.247 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.867 -5.481 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.240 -4.239 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.190 -4.550 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.591 -5.128 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.181 -6.600 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.392 -7.342 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.525 -6.960 1.047 1.00 0.00 H new ATOM 1672 N ASN A 110 -15.471 -7.135 -5.457 1.00 0.00 N ATOM 1673 CA ASN A 110 -16.576 -7.907 -5.999 1.00 0.00 C ATOM 1674 C ASN A 110 -16.056 -9.263 -6.483 1.00 0.00 C ATOM 1675 O ASN A 110 -16.699 -10.290 -6.271 1.00 0.00 O ATOM 1676 CB ASN A 110 -17.214 -7.193 -7.192 1.00 0.00 C ATOM 1677 CG ASN A 110 -17.796 -5.841 -6.774 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -17.838 -5.488 -5.607 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -18.241 -5.107 -7.790 1.00 0.00 N ATOM 0 H ASN A 110 -15.425 -6.170 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 110 -17.320 -8.029 -5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -16.469 -7.046 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -18.001 -7.817 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.648 -4.188 -7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -18.175 -5.463 -8.744 1.00 0.00 H new ATOM 1686 N GLU A 111 -14.897 -9.222 -7.124 1.00 0.00 N ATOM 1687 CA GLU A 111 -14.284 -10.434 -7.639 1.00 0.00 C ATOM 1688 C GLU A 111 -13.418 -11.091 -6.562 1.00 0.00 C ATOM 1689 O GLU A 111 -13.179 -12.297 -6.602 1.00 0.00 O ATOM 1690 CB GLU A 111 -13.465 -10.142 -8.898 1.00 0.00 C ATOM 1691 CG GLU A 111 -12.410 -11.226 -9.130 1.00 0.00 C ATOM 1692 CD GLU A 111 -12.052 -11.334 -10.613 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -12.054 -10.274 -11.276 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -11.784 -12.473 -11.051 1.00 0.00 O ATOM 0 H GLU A 111 -14.367 -8.368 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.077 -11.130 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.127 -10.084 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.979 -9.171 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.515 -10.997 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.784 -12.185 -8.772 1.00 0.00 H new ATOM 1701 N CYS A 112 -12.972 -10.268 -5.624 1.00 0.00 N ATOM 1702 CA CYS A 112 -12.138 -10.753 -4.538 1.00 0.00 C ATOM 1703 C CYS A 112 -12.964 -11.727 -3.696 1.00 0.00 C ATOM 1704 O CYS A 112 -12.556 -12.868 -3.481 1.00 0.00 O ATOM 1705 CB CYS A 112 -11.579 -9.604 -3.697 1.00 0.00 C ATOM 1706 SG CYS A 112 -10.194 -10.202 -2.660 1.00 0.00 S ATOM 0 H CYS A 112 -13.173 -9.268 -5.594 1.00 0.00 H new ATOM 0 HA CYS A 112 -11.271 -11.272 -4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -11.236 -8.800 -4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -12.364 -9.189 -3.065 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.726 -9.218 -1.952 1.00 0.00 H new ATOM 1712 N ARG A 113 -14.110 -11.242 -3.242 1.00 0.00 N ATOM 1713 CA ARG A 113 -14.998 -12.055 -2.428 1.00 0.00 C ATOM 1714 C ARG A 113 -15.181 -13.436 -3.061 1.00 0.00 C ATOM 1715 O ARG A 113 -15.494 -14.403 -2.369 1.00 0.00 O ATOM 1716 CB ARG A 113 -16.366 -11.389 -2.270 1.00 0.00 C ATOM 1717 CG ARG A 113 -17.175 -12.056 -1.157 1.00 0.00 C ATOM 1718 CD ARG A 113 -18.020 -13.207 -1.707 1.00 0.00 C ATOM 1719 NE ARG A 113 -19.394 -12.737 -1.989 1.00 0.00 N ATOM 1720 CZ ARG A 113 -20.278 -13.407 -2.742 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -19.936 -14.580 -3.292 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -21.503 -12.903 -2.944 1.00 0.00 N ATOM 0 H ARG A 113 -14.445 -10.295 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.542 -12.159 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -16.235 -10.330 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -16.915 -11.450 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -16.501 -12.431 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -17.823 -11.319 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -17.567 -13.599 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -18.047 -14.025 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 113 -19.687 -11.847 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -19.003 -14.963 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -20.608 -15.090 -3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -21.763 -12.010 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -22.176 -13.412 -3.517 1.00 0.00 H new ATOM 1736 N GLU A 114 -14.979 -13.484 -4.370 1.00 0.00 N ATOM 1737 CA GLU A 114 -15.118 -14.730 -5.104 1.00 0.00 C ATOM 1738 C GLU A 114 -13.907 -15.631 -4.854 1.00 0.00 C ATOM 1739 O GLU A 114 -14.051 -16.843 -4.703 1.00 0.00 O ATOM 1740 CB GLU A 114 -15.307 -14.468 -6.599 1.00 0.00 C ATOM 1741 CG GLU A 114 -16.440 -15.326 -7.167 1.00 0.00 C ATOM 1742 CD GLU A 114 -17.409 -14.477 -7.993 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -18.345 -13.923 -7.377 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -17.192 -14.402 -9.222 1.00 0.00 O ATOM 0 H GLU A 114 -14.720 -12.679 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.009 -15.244 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.528 -13.413 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.380 -14.685 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.024 -16.119 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.978 -15.810 -6.352 1.00 0.00 H new ATOM 1751 N LYS A 115 -12.740 -15.004 -4.819 1.00 0.00 N ATOM 1752 CA LYS A 115 -11.505 -15.734 -4.591 1.00 0.00 C ATOM 1753 C LYS A 115 -11.114 -15.618 -3.116 1.00 0.00 C ATOM 1754 O LYS A 115 -10.039 -15.116 -2.792 1.00 0.00 O ATOM 1755 CB LYS A 115 -10.415 -15.259 -5.554 1.00 0.00 C ATOM 1756 CG LYS A 115 -10.405 -13.732 -5.660 1.00 0.00 C ATOM 1757 CD LYS A 115 -9.005 -13.216 -5.999 1.00 0.00 C ATOM 1758 CE LYS A 115 -8.297 -12.689 -4.749 1.00 0.00 C ATOM 1759 NZ LYS A 115 -7.723 -13.807 -3.968 1.00 0.00 N ATOM 0 H LYS A 115 -12.624 -13.998 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 115 -11.645 -16.794 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -9.442 -15.610 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.580 -15.695 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.110 -13.412 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.739 -13.296 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.416 -14.018 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.076 -12.422 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.507 -11.995 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.002 -12.131 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.067 -13.431 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.488 -14.329 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.210 -14.449 -4.606 1.00 0.00 H new ATOM 1773 N GLU A 116 -12.009 -16.091 -2.261 1.00 0.00 N ATOM 1774 CA GLU A 116 -11.772 -16.047 -0.828 1.00 0.00 C ATOM 1775 C GLU A 116 -12.937 -16.694 -0.077 1.00 0.00 C ATOM 1776 O GLU A 116 -14.049 -16.771 -0.596 1.00 0.00 O ATOM 1777 CB GLU A 116 -11.544 -14.610 -0.354 1.00 0.00 C ATOM 1778 CG GLU A 116 -12.830 -13.788 -0.459 1.00 0.00 C ATOM 1779 CD GLU A 116 -13.083 -12.999 0.827 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -12.103 -12.417 1.339 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -14.252 -12.997 1.270 1.00 0.00 O ATOM 0 H GLU A 116 -12.900 -16.507 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.867 -16.614 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.194 -14.615 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.761 -14.145 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.759 -13.102 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.674 -14.450 -0.656 1.00 0.00 H new ATOM 1788 N ARG A 117 -12.641 -17.144 1.134 1.00 0.00 N ATOM 1789 CA ARG A 117 -13.651 -17.782 1.962 1.00 0.00 C ATOM 1790 C ARG A 117 -15.013 -17.120 1.744 1.00 0.00 C ATOM 1791 O ARG A 117 -15.169 -15.922 1.975 1.00 0.00 O ATOM 1792 CB ARG A 117 -13.282 -17.696 3.445 1.00 0.00 C ATOM 1793 CG ARG A 117 -11.976 -18.442 3.729 1.00 0.00 C ATOM 1794 CD ARG A 117 -12.253 -19.837 4.291 1.00 0.00 C ATOM 1795 NE ARG A 117 -11.415 -20.076 5.487 1.00 0.00 N ATOM 1796 CZ ARG A 117 -11.686 -19.586 6.705 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -12.774 -18.828 6.894 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -10.869 -19.855 7.732 1.00 0.00 N ATOM 0 H ARG A 117 -11.717 -17.080 1.561 1.00 0.00 H new ATOM 0 HA ARG A 117 -13.703 -18.831 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -13.179 -16.651 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -14.085 -18.119 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -11.393 -18.525 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -11.375 -17.873 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -13.307 -19.931 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -12.043 -20.592 3.533 1.00 0.00 H new ATOM 0 HE ARG A 117 -10.579 -20.650 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -13.396 -18.624 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -12.981 -18.455 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -10.041 -20.433 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -11.075 -19.482 8.659 1.00 0.00 H new ATOM 1812 N GLU A 118 -15.964 -17.930 1.301 1.00 0.00 N ATOM 1813 CA GLU A 118 -17.307 -17.438 1.048 1.00 0.00 C ATOM 1814 C GLU A 118 -17.767 -16.536 2.196 1.00 0.00 C ATOM 1815 O GLU A 118 -17.258 -16.637 3.311 1.00 0.00 O ATOM 1816 CB GLU A 118 -18.284 -18.596 0.835 1.00 0.00 C ATOM 1817 CG GLU A 118 -18.932 -18.519 -0.549 1.00 0.00 C ATOM 1818 CD GLU A 118 -19.911 -19.676 -0.761 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -19.468 -20.832 -0.591 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -21.080 -19.377 -1.087 1.00 0.00 O ATOM 0 H GLU A 118 -15.831 -18.923 1.111 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.290 -16.847 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -17.758 -19.545 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.056 -18.571 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -19.457 -17.570 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -18.160 -18.546 -1.318 1.00 0.00 H new ATOM 1827 N GLU A 119 -18.725 -15.676 1.883 1.00 0.00 N ATOM 1828 CA GLU A 119 -19.259 -14.758 2.875 1.00 0.00 C ATOM 1829 C GLU A 119 -20.680 -15.167 3.266 1.00 0.00 C ATOM 1830 O GLU A 119 -21.549 -14.315 3.441 1.00 0.00 O ATOM 1831 CB GLU A 119 -19.225 -13.317 2.362 1.00 0.00 C ATOM 1832 CG GLU A 119 -20.200 -13.126 1.199 1.00 0.00 C ATOM 1833 CD GLU A 119 -20.681 -11.675 1.119 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -19.802 -10.788 1.062 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -21.916 -11.486 1.116 1.00 0.00 O ATOM 0 H GLU A 119 -19.145 -15.595 0.957 1.00 0.00 H new ATOM 0 HA GLU A 119 -18.630 -14.808 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.480 -12.633 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -18.215 -13.066 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -19.715 -13.404 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -21.055 -13.790 1.324 1.00 0.00 H new ATOM 1842 N ILE A 120 -20.872 -16.472 3.393 1.00 0.00 N ATOM 1843 CA ILE A 120 -22.173 -17.005 3.761 1.00 0.00 C ATOM 1844 C ILE A 120 -22.796 -16.117 4.840 1.00 0.00 C ATOM 1845 O ILE A 120 -22.409 -16.185 6.005 1.00 0.00 O ATOM 1846 CB ILE A 120 -22.054 -18.475 4.167 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -21.605 -19.336 2.985 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -23.361 -18.981 4.782 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -20.647 -20.438 3.442 1.00 0.00 C ATOM 0 H ILE A 120 -20.148 -17.176 3.248 1.00 0.00 H new ATOM 0 HA ILE A 120 -22.848 -16.988 2.905 1.00 0.00 H new ATOM 0 HB ILE A 120 -21.284 -18.556 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -22.475 -19.782 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -21.115 -18.710 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -23.250 -20.029 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -23.598 -18.392 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -24.167 -18.883 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -20.343 -21.035 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -19.767 -19.988 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -21.148 -21.077 4.169 1.00 0.00 H new ATOM 1861 N ALA A 121 -23.751 -15.304 4.413 1.00 0.00 N ATOM 1862 CA ALA A 121 -24.432 -14.403 5.327 1.00 0.00 C ATOM 1863 C ALA A 121 -25.562 -13.687 4.585 1.00 0.00 C ATOM 1864 O ALA A 121 -25.580 -12.459 4.510 1.00 0.00 O ATOM 1865 CB ALA A 121 -23.420 -13.428 5.931 1.00 0.00 C ATOM 0 H ALA A 121 -24.069 -15.250 3.445 1.00 0.00 H new ATOM 0 HA ALA A 121 -24.880 -14.959 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -23.931 -12.752 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -22.656 -13.986 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -22.951 -12.851 5.134 1.00 0.00 H new ATOM 1871 N ARG A 122 -26.477 -14.484 4.054 1.00 0.00 N ATOM 1872 CA ARG A 122 -27.607 -13.941 3.319 1.00 0.00 C ATOM 1873 C ARG A 122 -28.614 -13.312 4.284 1.00 0.00 C ATOM 1874 O ARG A 122 -28.908 -13.877 5.336 1.00 0.00 O ATOM 1875 CB ARG A 122 -28.306 -15.029 2.502 1.00 0.00 C ATOM 1876 CG ARG A 122 -28.912 -16.097 3.414 1.00 0.00 C ATOM 1877 CD ARG A 122 -29.720 -17.115 2.607 1.00 0.00 C ATOM 1878 NE ARG A 122 -28.829 -18.183 2.103 1.00 0.00 N ATOM 1879 CZ ARG A 122 -28.131 -18.103 0.961 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -28.217 -17.005 0.199 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -27.347 -19.122 0.583 1.00 0.00 N ATOM 0 H ARG A 122 -26.459 -15.502 4.118 1.00 0.00 H new ATOM 0 HA ARG A 122 -27.226 -13.180 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -29.089 -14.582 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -27.593 -15.491 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -28.118 -16.608 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -29.555 -15.624 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -30.503 -17.547 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -30.215 -16.619 1.772 1.00 0.00 H new ATOM 0 HE ARG A 122 -28.740 -19.033 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -28.814 -16.230 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -27.686 -16.944 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -27.282 -19.958 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -26.816 -19.062 -0.286 1.00 0.00 H new ATOM 1895 N GLN A 123 -29.114 -12.149 3.891 1.00 0.00 N ATOM 1896 CA GLN A 123 -30.082 -11.437 4.708 1.00 0.00 C ATOM 1897 C GLN A 123 -30.891 -10.465 3.847 1.00 0.00 C ATOM 1898 O GLN A 123 -32.115 -10.562 3.777 1.00 0.00 O ATOM 1899 CB GLN A 123 -29.393 -10.705 5.861 1.00 0.00 C ATOM 1900 CG GLN A 123 -30.355 -10.497 7.033 1.00 0.00 C ATOM 1901 CD GLN A 123 -30.695 -9.016 7.207 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -31.418 -8.422 6.423 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -30.137 -8.455 8.275 1.00 0.00 N ATOM 0 H GLN A 123 -28.867 -11.683 3.018 1.00 0.00 H new ATOM 0 HA GLN A 123 -30.768 -12.165 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -28.527 -11.277 6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -29.023 -9.740 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -31.269 -11.066 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -29.906 -10.881 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -29.542 -9.010 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -30.304 -7.470 8.479 1.00 0.00 H new ATOM 1912 N ALA A 124 -30.173 -9.549 3.213 1.00 0.00 N ATOM 1913 CA ALA A 124 -30.809 -8.560 2.359 1.00 0.00 C ATOM 1914 C ALA A 124 -29.731 -7.734 1.653 1.00 0.00 C ATOM 1915 O ALA A 124 -28.541 -7.914 1.906 1.00 0.00 O ATOM 1916 CB ALA A 124 -31.752 -7.693 3.195 1.00 0.00 C ATOM 0 H ALA A 124 -29.158 -9.471 3.274 1.00 0.00 H new ATOM 0 HA ALA A 124 -31.409 -9.047 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -32.229 -6.951 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -32.516 -8.322 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -31.184 -7.187 3.976 1.00 0.00 H new ATOM 1922 N SER A 125 -30.187 -6.846 0.781 1.00 0.00 N ATOM 1923 CA SER A 125 -29.277 -5.992 0.037 1.00 0.00 C ATOM 1924 C SER A 125 -30.022 -4.760 -0.481 1.00 0.00 C ATOM 1925 O SER A 125 -31.251 -4.723 -0.470 1.00 0.00 O ATOM 1926 CB SER A 125 -28.636 -6.753 -1.125 1.00 0.00 C ATOM 1927 OG SER A 125 -29.610 -7.279 -2.022 1.00 0.00 O ATOM 0 H SER A 125 -31.175 -6.700 0.573 1.00 0.00 H new ATOM 0 HA SER A 125 -28.481 -5.671 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 125 -27.965 -6.087 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 125 -28.027 -7.568 -0.733 1.00 0.00 H new ATOM 0 HG SER A 125 -29.160 -7.756 -2.750 1.00 0.00 H new ATOM 1933 N GLY A 126 -29.245 -3.781 -0.922 1.00 0.00 N ATOM 1934 CA GLY A 126 -29.815 -2.551 -1.443 1.00 0.00 C ATOM 1935 C GLY A 126 -28.853 -1.870 -2.418 1.00 0.00 C ATOM 1936 O GLY A 126 -27.663 -1.741 -2.134 1.00 0.00 O ATOM 0 H GLY A 126 -28.226 -3.815 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -30.757 -2.768 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -30.043 -1.874 -0.619 1.00 0.00 H new ATOM 1940 N PRO A 127 -29.418 -1.442 -3.579 1.00 0.00 N ATOM 1941 CA PRO A 127 -28.624 -0.778 -4.598 1.00 0.00 C ATOM 1942 C PRO A 127 -28.295 0.658 -4.188 1.00 0.00 C ATOM 1943 O PRO A 127 -28.710 1.114 -3.123 1.00 0.00 O ATOM 1944 CB PRO A 127 -29.462 -0.858 -5.864 1.00 0.00 C ATOM 1945 CG PRO A 127 -30.882 -1.146 -5.406 1.00 0.00 C ATOM 1946 CD PRO A 127 -30.824 -1.578 -3.950 1.00 0.00 C ATOM 0 HA PRO A 127 -27.653 -1.250 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -29.414 0.076 -6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -29.098 -1.645 -6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -31.506 -0.259 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -31.329 -1.929 -6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -31.461 -0.952 -3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -31.168 -2.605 -3.828 1.00 0.00 H new ATOM 1954 N SER A 128 -27.553 1.332 -5.054 1.00 0.00 N ATOM 1955 CA SER A 128 -27.164 2.708 -4.795 1.00 0.00 C ATOM 1956 C SER A 128 -27.272 3.533 -6.080 1.00 0.00 C ATOM 1957 O SER A 128 -28.002 4.522 -6.127 1.00 0.00 O ATOM 1958 CB SER A 128 -25.743 2.783 -4.235 1.00 0.00 C ATOM 1959 OG SER A 128 -25.491 4.023 -3.580 1.00 0.00 O ATOM 0 H SER A 128 -27.211 0.951 -5.936 1.00 0.00 H new ATOM 0 HA SER A 128 -27.842 3.120 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 128 -25.587 1.964 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 128 -25.027 2.649 -5.046 1.00 0.00 H new ATOM 0 HG SER A 128 -24.574 4.030 -3.235 1.00 0.00 H new ATOM 1965 N SER A 129 -26.535 3.096 -7.090 1.00 0.00 N ATOM 1966 CA SER A 129 -26.539 3.781 -8.371 1.00 0.00 C ATOM 1967 C SER A 129 -27.658 3.230 -9.256 1.00 0.00 C ATOM 1968 O SER A 129 -28.098 2.096 -9.073 1.00 0.00 O ATOM 1969 CB SER A 129 -25.188 3.641 -9.075 1.00 0.00 C ATOM 1970 OG SER A 129 -24.717 4.887 -9.581 1.00 0.00 O ATOM 0 H SER A 129 -25.931 2.275 -7.047 1.00 0.00 H new ATOM 0 HA SER A 129 -26.716 4.841 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 129 -24.456 3.233 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 129 -25.279 2.928 -9.895 1.00 0.00 H new ATOM 0 HG SER A 129 -23.852 4.755 -10.021 1.00 0.00 H new ATOM 1976 N GLY A 130 -28.088 4.059 -10.197 1.00 0.00 N ATOM 1977 CA GLY A 130 -29.148 3.668 -11.111 1.00 0.00 C ATOM 1978 C GLY A 130 -29.966 4.883 -11.552 1.00 0.00 C ATOM 1979 O GLY A 130 -30.074 5.163 -12.745 1.00 0.00 O ATOM 0 H GLY A 130 -27.722 4.999 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -28.718 3.178 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -29.801 2.941 -10.627 1.00 0.00 H new TER 1983 GLY A 130