USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -2.16! C(o=-2!,f=-2.6!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.199 USER MOD Set 1.3: A 98 SER OG : rot 110:sc= -0.0392 USER MOD Set 2.1: A 73 SER OG : rot 125:sc= -1.16! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -2.35! C(o=-3.5!,f=-11!) USER MOD Set 3.1: A 30 SER OG : rot -170:sc= 0.395 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 155:sc= -0.732 (180deg=-0.789) USER MOD Set 4.1: A 19 GLN : amide:sc= -0.434 K(o=-1.5,f=-3.3) USER MOD Set 4.2: A 36 ASN :FLIP amide:sc= -1.03 F(o=-2.7,f=-1.5) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0931 USER MOD Single : A 17 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.2) USER MOD Single : A 29 SER OG : rot 115:sc= 0.805 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 33 TYR OH : rot -15:sc= -3.04! USER MOD Single : A 34 SER OG : rot 20:sc= 0.116 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -8.4! C(o=-9!,f=-8.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -33:sc= -3.67! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 56 SER OG : rot 180:sc= 0.425 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.94 K(o=-1.9,f=-4.8!) USER MOD Single : A 68 SER OG : rot 53:sc= 0.8! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.024) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 0:sc= -2.25! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 62:sc= 0.873 USER MOD Single : A 97 TYR OH : rot -123:sc= -2.56 USER MOD Single : A 100 ASN : amide:sc= -7.06! C(o=-7.1!,f=-12!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 77:sc= 0.203 USER MOD Single : A 108 ASN : amide:sc= -0.0081 X(o=-0.0081,f=-0.45!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 114 SER OG : rot 180:sc= -0.292 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 34.504 -1.576 3.854 1.00 0.00 N ATOM 2 CA ARG A 7 33.489 -1.097 4.784 1.00 0.00 C ATOM 3 C ARG A 7 32.106 -1.131 4.144 1.00 0.00 C ATOM 4 O ARG A 7 31.933 -0.726 2.995 1.00 0.00 O ATOM 5 CB ARG A 7 33.816 0.328 5.239 1.00 0.00 C ATOM 6 CG ARG A 7 34.122 0.439 6.724 1.00 0.00 C ATOM 7 CD ARG A 7 35.354 1.293 6.976 1.00 0.00 C ATOM 8 NE ARG A 7 35.430 2.429 6.062 1.00 0.00 N ATOM 9 CZ ARG A 7 34.623 3.483 6.129 1.00 0.00 C ATOM 10 NH1 ARG A 7 34.753 4.477 5.261 1.00 0.00 N ATOM 11 NH2 ARG A 7 33.687 3.544 7.066 1.00 0.00 N ATOM 0 HA ARG A 7 33.486 -1.758 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 7 34.672 0.694 4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.974 0.978 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 7 33.266 0.872 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 7 34.277 -0.556 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.340 1.655 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 7 36.248 0.680 6.867 1.00 0.00 H new ATOM 0 HE ARG A 7 36.142 2.413 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 7 35.473 4.434 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 7 34.133 5.285 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 7 33.586 2.782 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 7 33.068 4.353 7.117 1.00 0.00 H new ATOM 25 N ARG A 8 31.123 -1.618 4.895 1.00 0.00 N ATOM 26 CA ARG A 8 29.754 -1.696 4.402 1.00 0.00 C ATOM 27 C ARG A 8 29.111 -0.315 4.375 1.00 0.00 C ATOM 28 O ARG A 8 29.709 0.669 4.811 1.00 0.00 O ATOM 29 CB ARG A 8 28.928 -2.643 5.272 1.00 0.00 C ATOM 30 CG ARG A 8 29.088 -2.396 6.761 1.00 0.00 C ATOM 31 CD ARG A 8 27.830 -2.778 7.522 1.00 0.00 C ATOM 32 NE ARG A 8 28.016 -3.988 8.317 1.00 0.00 N ATOM 33 CZ ARG A 8 28.779 -4.045 9.403 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.423 -2.963 9.820 1.00 0.00 N ATOM 35 NH2 ARG A 8 28.898 -5.182 10.073 1.00 0.00 N ATOM 0 H ARG A 8 31.250 -1.964 5.846 1.00 0.00 H new ATOM 0 HA ARG A 8 29.780 -2.085 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.876 -2.542 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 8 29.215 -3.671 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.933 -2.972 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.316 -1.344 6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.539 -1.956 8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.012 -2.930 6.817 1.00 0.00 H new ATOM 0 HE ARG A 8 27.533 -4.837 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.333 -2.086 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.009 -3.008 10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 8 28.403 -6.015 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 29.484 -5.224 10.907 1.00 0.00 H new ATOM 49 N CYS A 9 27.894 -0.247 3.850 1.00 0.00 N ATOM 50 CA CYS A 9 27.170 1.012 3.760 1.00 0.00 C ATOM 51 C CYS A 9 26.504 1.352 5.089 1.00 0.00 C ATOM 52 O CYS A 9 26.305 0.479 5.933 1.00 0.00 O ATOM 53 CB CYS A 9 26.122 0.935 2.652 1.00 0.00 C ATOM 54 SG CYS A 9 26.802 1.107 0.971 1.00 0.00 S ATOM 0 H CYS A 9 27.388 -1.051 3.480 1.00 0.00 H new ATOM 0 HA CYS A 9 27.883 1.802 3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.601 -0.019 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.380 1.717 2.814 1.00 0.00 H new ATOM 59 N PRO A 10 26.158 2.633 5.297 1.00 0.00 N ATOM 60 CA PRO A 10 25.509 3.081 6.530 1.00 0.00 C ATOM 61 C PRO A 10 24.080 2.568 6.640 1.00 0.00 C ATOM 62 O PRO A 10 23.562 1.946 5.712 1.00 0.00 O ATOM 63 CB PRO A 10 25.528 4.604 6.412 1.00 0.00 C ATOM 64 CG PRO A 10 25.565 4.865 4.948 1.00 0.00 C ATOM 65 CD PRO A 10 26.357 3.739 4.343 1.00 0.00 C ATOM 0 HA PRO A 10 26.016 2.709 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.645 5.049 6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.397 5.030 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.558 4.900 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.031 5.827 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.995 3.482 3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.411 3.998 4.241 1.00 0.00 H new ATOM 73 N SER A 11 23.446 2.826 7.777 1.00 0.00 N ATOM 74 CA SER A 11 22.079 2.386 8.000 1.00 0.00 C ATOM 75 C SER A 11 21.178 2.806 6.840 1.00 0.00 C ATOM 76 O SER A 11 20.903 3.993 6.662 1.00 0.00 O ATOM 77 CB SER A 11 21.551 2.967 9.312 1.00 0.00 C ATOM 78 OG SER A 11 22.354 4.048 9.751 1.00 0.00 O ATOM 0 H SER A 11 23.858 3.338 8.557 1.00 0.00 H new ATOM 0 HA SER A 11 22.073 1.298 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 11 20.524 3.305 9.176 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.533 2.190 10.076 1.00 0.00 H new ATOM 0 HG SER A 11 21.994 4.403 10.591 1.00 0.00 H new ATOM 84 N PRO A 12 20.720 1.844 6.018 1.00 0.00 N ATOM 85 CA PRO A 12 19.854 2.140 4.874 1.00 0.00 C ATOM 86 C PRO A 12 18.559 2.817 5.300 1.00 0.00 C ATOM 87 O PRO A 12 18.187 2.785 6.473 1.00 0.00 O ATOM 88 CB PRO A 12 19.568 0.766 4.257 1.00 0.00 C ATOM 89 CG PRO A 12 19.894 -0.219 5.326 1.00 0.00 C ATOM 90 CD PRO A 12 20.989 0.401 6.143 1.00 0.00 C ATOM 0 HA PRO A 12 20.327 2.832 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.526 0.682 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.177 0.599 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.020 -0.429 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.217 -1.167 4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.953 0.072 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.976 0.140 5.760 1.00 0.00 H new ATOM 98 N ARG A 13 17.884 3.444 4.343 1.00 0.00 N ATOM 99 CA ARG A 13 16.622 4.119 4.617 1.00 0.00 C ATOM 100 C ARG A 13 15.662 3.181 5.328 1.00 0.00 C ATOM 101 O ARG A 13 16.019 2.061 5.679 1.00 0.00 O ATOM 102 CB ARG A 13 15.993 4.630 3.320 1.00 0.00 C ATOM 103 CG ARG A 13 16.044 6.142 3.172 1.00 0.00 C ATOM 104 CD ARG A 13 17.460 6.631 2.917 1.00 0.00 C ATOM 105 NE ARG A 13 17.620 8.041 3.258 1.00 0.00 N ATOM 106 CZ ARG A 13 18.674 8.770 2.907 1.00 0.00 C ATOM 107 NH1 ARG A 13 19.657 8.222 2.205 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.746 10.047 3.256 1.00 0.00 N ATOM 0 H ARG A 13 18.190 3.499 3.371 1.00 0.00 H new ATOM 0 HA ARG A 13 16.824 4.971 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.505 4.173 2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.954 4.304 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.398 6.450 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.654 6.610 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.161 6.035 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.712 6.481 1.867 1.00 0.00 H new ATOM 0 HE ARG A 13 16.881 8.493 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.604 7.240 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.466 8.783 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.991 10.472 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.556 10.605 2.986 1.00 0.00 H new ATOM 122 N ASP A 14 14.446 3.648 5.539 1.00 0.00 N ATOM 123 CA ASP A 14 13.444 2.864 6.248 1.00 0.00 C ATOM 124 C ASP A 14 12.054 2.993 5.630 1.00 0.00 C ATOM 125 O ASP A 14 11.072 2.503 6.187 1.00 0.00 O ATOM 126 CB ASP A 14 13.386 3.344 7.682 1.00 0.00 C ATOM 127 CG ASP A 14 13.957 2.340 8.664 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.392 2.204 9.769 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.968 1.689 8.327 1.00 0.00 O ATOM 0 H ASP A 14 14.125 4.566 5.231 1.00 0.00 H new ATOM 0 HA ASP A 14 13.735 1.815 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.935 4.282 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.350 3.555 7.947 1.00 0.00 H new ATOM 134 N ILE A 15 11.976 3.664 4.495 1.00 0.00 N ATOM 135 CA ILE A 15 10.697 3.908 3.819 1.00 0.00 C ATOM 136 C ILE A 15 9.746 4.650 4.751 1.00 0.00 C ATOM 137 O ILE A 15 10.162 5.175 5.784 1.00 0.00 O ATOM 138 CB ILE A 15 9.997 2.624 3.305 1.00 0.00 C ATOM 139 CG1 ILE A 15 10.851 1.379 3.569 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.666 2.780 1.830 1.00 0.00 C ATOM 141 CD1 ILE A 15 10.532 0.171 2.717 1.00 0.00 C ATOM 0 H ILE A 15 12.785 4.056 4.012 1.00 0.00 H new ATOM 0 HA ILE A 15 10.938 4.509 2.942 1.00 0.00 H new ATOM 0 HB ILE A 15 9.066 2.484 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.898 1.641 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.740 1.101 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.174 1.876 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.002 3.634 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.585 2.942 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.195 -0.650 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.497 -0.128 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.673 0.420 1.665 1.00 0.00 H new ATOM 153 N ASP A 16 8.467 4.670 4.398 1.00 0.00 N ATOM 154 CA ASP A 16 7.465 5.324 5.225 1.00 0.00 C ATOM 155 C ASP A 16 6.333 4.364 5.554 1.00 0.00 C ATOM 156 O ASP A 16 6.197 3.912 6.691 1.00 0.00 O ATOM 157 CB ASP A 16 6.915 6.564 4.519 1.00 0.00 C ATOM 158 CG ASP A 16 8.003 7.556 4.160 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.934 8.711 4.631 1.00 0.00 O ATOM 160 OD2 ASP A 16 8.925 7.178 3.407 1.00 0.00 O ATOM 0 H ASP A 16 8.101 4.242 3.547 1.00 0.00 H new ATOM 0 HA ASP A 16 7.940 5.633 6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.391 6.260 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.182 7.050 5.163 1.00 0.00 H new ATOM 165 N ASN A 17 5.531 4.048 4.549 1.00 0.00 N ATOM 166 CA ASN A 17 4.428 3.117 4.722 1.00 0.00 C ATOM 167 C ASN A 17 4.830 1.737 4.221 1.00 0.00 C ATOM 168 O ASN A 17 3.991 0.962 3.762 1.00 0.00 O ATOM 169 CB ASN A 17 3.185 3.609 3.973 1.00 0.00 C ATOM 170 CG ASN A 17 3.059 5.122 3.975 1.00 0.00 C ATOM 171 OD1 ASN A 17 2.597 5.719 3.003 1.00 0.00 O ATOM 172 ND2 ASN A 17 3.475 5.750 5.070 1.00 0.00 N ATOM 0 H ASN A 17 5.624 4.423 3.605 1.00 0.00 H new ATOM 0 HA ASN A 17 4.188 3.055 5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.222 3.253 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.296 3.174 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.418 6.767 5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.851 5.215 5.853 1.00 0.00 H new ATOM 179 N GLY A 18 6.125 1.443 4.301 1.00 0.00 N ATOM 180 CA GLY A 18 6.624 0.163 3.831 1.00 0.00 C ATOM 181 C GLY A 18 7.655 -0.454 4.758 1.00 0.00 C ATOM 182 O GLY A 18 7.931 0.077 5.834 1.00 0.00 O ATOM 0 H GLY A 18 6.836 2.067 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.787 -0.527 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.065 0.293 2.843 1.00 0.00 H new ATOM 186 N GLN A 19 8.218 -1.586 4.339 1.00 0.00 N ATOM 187 CA GLN A 19 9.221 -2.291 5.133 1.00 0.00 C ATOM 188 C GLN A 19 10.408 -2.702 4.264 1.00 0.00 C ATOM 189 O GLN A 19 10.241 -3.040 3.091 1.00 0.00 O ATOM 190 CB GLN A 19 8.612 -3.534 5.795 1.00 0.00 C ATOM 191 CG GLN A 19 7.114 -3.433 6.049 1.00 0.00 C ATOM 192 CD GLN A 19 6.721 -3.927 7.427 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.501 -3.136 8.344 1.00 0.00 O ATOM 194 NE2 GLN A 19 6.627 -5.243 7.579 1.00 0.00 N ATOM 0 H GLN A 19 7.995 -2.035 3.451 1.00 0.00 H new ATOM 0 HA GLN A 19 9.570 -1.611 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.805 -4.400 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.119 -3.713 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.799 -2.396 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.582 -4.012 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.818 -5.862 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.363 -5.634 8.483 1.00 0.00 H new ATOM 203 N LEU A 20 11.604 -2.678 4.847 1.00 0.00 N ATOM 204 CA LEU A 20 12.816 -3.031 4.124 1.00 0.00 C ATOM 205 C LEU A 20 13.029 -4.539 4.079 1.00 0.00 C ATOM 206 O LEU A 20 12.594 -5.271 4.967 1.00 0.00 O ATOM 207 CB LEU A 20 14.023 -2.387 4.804 1.00 0.00 C ATOM 208 CG LEU A 20 14.554 -1.127 4.133 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.573 -0.462 5.031 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.420 -0.171 3.820 1.00 0.00 C ATOM 0 H LEU A 20 11.757 -2.417 5.821 1.00 0.00 H new ATOM 0 HA LEU A 20 12.708 -2.667 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.754 -2.145 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.828 -3.121 4.850 1.00 0.00 H new ATOM 0 HG LEU A 20 15.034 -1.403 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.951 0.439 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.104 -0.196 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.399 -1.149 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.819 0.723 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.710 -0.656 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.914 0.108 4.744 1.00 0.00 H new ATOM 222 N ASP A 21 13.767 -4.976 3.069 1.00 0.00 N ATOM 223 CA ASP A 21 14.147 -6.375 2.934 1.00 0.00 C ATOM 224 C ASP A 21 15.649 -6.458 2.696 1.00 0.00 C ATOM 225 O ASP A 21 16.101 -6.760 1.591 1.00 0.00 O ATOM 226 CB ASP A 21 13.392 -7.035 1.782 1.00 0.00 C ATOM 227 CG ASP A 21 13.030 -8.477 2.078 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.993 -8.947 1.564 1.00 0.00 O ATOM 229 OD2 ASP A 21 13.785 -9.137 2.823 1.00 0.00 O ATOM 0 H ASP A 21 14.118 -4.375 2.324 1.00 0.00 H new ATOM 0 HA ASP A 21 13.888 -6.906 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.483 -6.470 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.003 -6.995 0.880 1.00 0.00 H new ATOM 234 N ILE A 22 16.415 -6.111 3.726 1.00 0.00 N ATOM 235 CA ILE A 22 17.869 -6.054 3.618 1.00 0.00 C ATOM 236 C ILE A 22 18.506 -7.435 3.605 1.00 0.00 C ATOM 237 O ILE A 22 18.446 -8.174 4.588 1.00 0.00 O ATOM 238 CB ILE A 22 18.506 -5.230 4.760 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.557 -4.114 5.226 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.840 -4.657 4.304 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.222 -3.035 6.058 1.00 0.00 C ATOM 0 H ILE A 22 16.052 -5.865 4.647 1.00 0.00 H new ATOM 0 HA ILE A 22 18.065 -5.563 2.665 1.00 0.00 H new ATOM 0 HB ILE A 22 18.683 -5.888 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.101 -3.652 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.750 -4.559 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.283 -4.078 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.511 -5.471 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.682 -4.011 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.481 -2.288 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.653 -3.481 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.010 -2.559 5.474 1.00 0.00 H new ATOM 253 N GLY A 23 19.157 -7.749 2.494 1.00 0.00 N ATOM 254 CA GLY A 23 19.883 -8.995 2.377 1.00 0.00 C ATOM 255 C GLY A 23 21.371 -8.750 2.206 1.00 0.00 C ATOM 256 O GLY A 23 22.101 -9.617 1.724 1.00 0.00 O ATOM 0 H GLY A 23 19.194 -7.156 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.712 -9.603 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.505 -9.561 1.525 1.00 0.00 H new ATOM 260 N GLY A 24 21.815 -7.551 2.587 1.00 0.00 N ATOM 261 CA GLY A 24 23.215 -7.195 2.458 1.00 0.00 C ATOM 262 C GLY A 24 23.426 -5.694 2.502 1.00 0.00 C ATOM 263 O GLY A 24 22.802 -4.950 1.744 1.00 0.00 O ATOM 0 H GLY A 24 21.225 -6.820 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.784 -7.665 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.604 -7.588 1.519 1.00 0.00 H new ATOM 267 N VAL A 25 24.296 -5.247 3.401 1.00 0.00 N ATOM 268 CA VAL A 25 24.567 -3.822 3.561 1.00 0.00 C ATOM 269 C VAL A 25 25.986 -3.452 3.131 1.00 0.00 C ATOM 270 O VAL A 25 26.409 -2.309 3.302 1.00 0.00 O ATOM 271 CB VAL A 25 24.364 -3.382 5.022 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.883 -3.321 5.362 1.00 0.00 C ATOM 273 CG2 VAL A 25 25.098 -4.321 5.966 1.00 0.00 C ATOM 0 H VAL A 25 24.826 -5.850 4.030 1.00 0.00 H new ATOM 0 HA VAL A 25 23.859 -3.303 2.915 1.00 0.00 H new ATOM 0 HB VAL A 25 24.780 -2.382 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.760 -3.008 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.388 -2.605 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.437 -4.306 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.944 -3.996 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.713 -5.334 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.164 -4.308 5.737 1.00 0.00 H new ATOM 283 N ASP A 26 26.721 -4.412 2.574 1.00 0.00 N ATOM 284 CA ASP A 26 28.084 -4.155 2.127 1.00 0.00 C ATOM 285 C ASP A 26 28.098 -3.654 0.689 1.00 0.00 C ATOM 286 O ASP A 26 27.101 -3.758 -0.026 1.00 0.00 O ATOM 287 CB ASP A 26 28.935 -5.419 2.244 1.00 0.00 C ATOM 288 CG ASP A 26 30.413 -5.148 2.041 1.00 0.00 C ATOM 289 OD1 ASP A 26 30.872 -5.205 0.881 1.00 0.00 O ATOM 290 OD2 ASP A 26 31.110 -4.878 3.041 1.00 0.00 O ATOM 0 H ASP A 26 26.397 -5.367 2.423 1.00 0.00 H new ATOM 0 HA ASP A 26 28.507 -3.383 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.783 -5.865 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.599 -6.148 1.507 1.00 0.00 H new ATOM 295 N PHE A 27 29.233 -3.106 0.272 1.00 0.00 N ATOM 296 CA PHE A 27 29.376 -2.591 -1.083 1.00 0.00 C ATOM 297 C PHE A 27 29.098 -3.685 -2.105 1.00 0.00 C ATOM 298 O PHE A 27 29.809 -4.688 -2.166 1.00 0.00 O ATOM 299 CB PHE A 27 30.778 -2.022 -1.299 1.00 0.00 C ATOM 300 CG PHE A 27 30.888 -1.152 -2.519 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.027 0.221 -2.398 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.841 -1.709 -3.787 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.125 1.023 -3.520 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.938 -0.912 -4.912 1.00 0.00 C ATOM 305 CZ PHE A 27 31.080 0.455 -4.779 1.00 0.00 C ATOM 0 H PHE A 27 30.066 -3.007 0.852 1.00 0.00 H new ATOM 0 HA PHE A 27 28.648 -1.791 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 27 31.066 -1.443 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.487 -2.845 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.059 0.670 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 27 30.727 -2.777 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 27 31.237 2.092 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 27 30.903 -1.358 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.156 1.079 -5.657 1.00 0.00 H new ATOM 315 N GLY A 28 28.054 -3.489 -2.901 1.00 0.00 N ATOM 316 CA GLY A 28 27.691 -4.471 -3.902 1.00 0.00 C ATOM 317 C GLY A 28 26.445 -5.257 -3.532 1.00 0.00 C ATOM 318 O GLY A 28 26.076 -6.203 -4.228 1.00 0.00 O ATOM 0 H GLY A 28 27.452 -2.666 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 28 27.528 -3.968 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.522 -5.162 -4.044 1.00 0.00 H new ATOM 322 N SER A 29 25.795 -4.873 -2.434 1.00 0.00 N ATOM 323 CA SER A 29 24.581 -5.545 -1.997 1.00 0.00 C ATOM 324 C SER A 29 23.354 -4.822 -2.535 1.00 0.00 C ATOM 325 O SER A 29 23.470 -3.937 -3.383 1.00 0.00 O ATOM 326 CB SER A 29 24.531 -5.602 -0.468 1.00 0.00 C ATOM 327 OG SER A 29 24.490 -4.301 0.091 1.00 0.00 O ATOM 0 H SER A 29 26.091 -4.102 -1.835 1.00 0.00 H new ATOM 0 HA SER A 29 24.586 -6.563 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.653 -6.165 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.404 -6.135 -0.092 1.00 0.00 H new ATOM 0 HG SER A 29 23.633 -4.168 0.547 1.00 0.00 H new ATOM 333 N SER A 30 22.182 -5.197 -2.043 1.00 0.00 N ATOM 334 CA SER A 30 20.944 -4.567 -2.480 1.00 0.00 C ATOM 335 C SER A 30 19.794 -4.911 -1.544 1.00 0.00 C ATOM 336 O SER A 30 19.689 -6.034 -1.051 1.00 0.00 O ATOM 337 CB SER A 30 20.603 -4.991 -3.910 1.00 0.00 C ATOM 338 OG SER A 30 20.980 -6.336 -4.148 1.00 0.00 O ATOM 0 H SER A 30 22.062 -5.931 -1.344 1.00 0.00 H new ATOM 0 HA SER A 30 21.092 -3.487 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.533 -4.874 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.112 -4.337 -4.618 1.00 0.00 H new ATOM 0 HG SER A 30 20.899 -6.534 -5.104 1.00 0.00 H new ATOM 344 N ILE A 31 18.937 -3.928 -1.303 1.00 0.00 N ATOM 345 CA ILE A 31 17.786 -4.105 -0.425 1.00 0.00 C ATOM 346 C ILE A 31 16.506 -4.189 -1.246 1.00 0.00 C ATOM 347 O ILE A 31 16.497 -3.831 -2.421 1.00 0.00 O ATOM 348 CB ILE A 31 17.648 -2.948 0.597 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.972 -2.199 0.779 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.175 -3.480 1.936 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.850 -0.962 1.640 1.00 0.00 C ATOM 0 H ILE A 31 19.017 -2.994 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 31 17.946 -5.033 0.125 1.00 0.00 H new ATOM 0 HB ILE A 31 16.911 -2.248 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.703 -2.873 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.357 -1.914 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.083 -2.656 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.206 -3.963 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.896 -4.204 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.824 -0.481 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.143 -0.269 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.494 -1.242 2.631 1.00 0.00 H new ATOM 363 N THR A 32 15.430 -4.663 -0.630 1.00 0.00 N ATOM 364 CA THR A 32 14.149 -4.765 -1.320 1.00 0.00 C ATOM 365 C THR A 32 13.079 -3.966 -0.588 1.00 0.00 C ATOM 366 O THR A 32 12.767 -4.239 0.571 1.00 0.00 O ATOM 367 CB THR A 32 13.719 -6.227 -1.460 1.00 0.00 C ATOM 368 OG1 THR A 32 14.837 -7.094 -1.367 1.00 0.00 O ATOM 369 CG2 THR A 32 13.022 -6.519 -2.771 1.00 0.00 C ATOM 0 H THR A 32 15.418 -4.981 0.339 1.00 0.00 H new ATOM 0 HA THR A 32 14.271 -4.347 -2.319 1.00 0.00 H new ATOM 0 HB THR A 32 13.018 -6.401 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.539 -8.023 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.743 -7.572 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.126 -5.903 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.694 -6.293 -3.599 1.00 0.00 H new ATOM 377 N TYR A 33 12.533 -2.966 -1.271 1.00 0.00 N ATOM 378 CA TYR A 33 11.527 -2.095 -0.679 1.00 0.00 C ATOM 379 C TYR A 33 10.117 -2.612 -0.925 1.00 0.00 C ATOM 380 O TYR A 33 9.774 -3.017 -2.036 1.00 0.00 O ATOM 381 CB TYR A 33 11.677 -0.689 -1.245 1.00 0.00 C ATOM 382 CG TYR A 33 12.557 0.181 -0.391 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.929 -0.019 -0.342 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.005 1.163 0.411 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.733 0.769 0.457 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.796 1.951 1.220 1.00 0.00 C ATOM 387 CZ TYR A 33 14.161 1.751 1.240 1.00 0.00 C ATOM 388 OH TYR A 33 14.956 2.533 2.042 1.00 0.00 O ATOM 0 H TYR A 33 12.771 -2.739 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 33 11.685 -2.078 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 33 12.094 -0.747 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.693 -0.229 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.374 -0.802 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.936 1.315 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.802 0.618 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.350 2.720 1.834 1.00 0.00 H new ATOM 0 HH TYR A 33 15.841 2.121 2.127 1.00 0.00 H new ATOM 398 N SER A 34 9.300 -2.581 0.122 1.00 0.00 N ATOM 399 CA SER A 34 7.917 -3.034 0.029 1.00 0.00 C ATOM 400 C SER A 34 7.020 -2.220 0.955 1.00 0.00 C ATOM 401 O SER A 34 7.494 -1.624 1.921 1.00 0.00 O ATOM 402 CB SER A 34 7.819 -4.520 0.382 1.00 0.00 C ATOM 403 OG SER A 34 8.133 -5.332 -0.736 1.00 0.00 O ATOM 0 H SER A 34 9.572 -2.246 1.046 1.00 0.00 H new ATOM 0 HA SER A 34 7.580 -2.890 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.499 -4.747 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.812 -4.749 0.730 1.00 0.00 H new ATOM 0 HG SER A 34 8.645 -4.808 -1.387 1.00 0.00 H new ATOM 409 N CYS A 35 5.725 -2.191 0.655 1.00 0.00 N ATOM 410 CA CYS A 35 4.774 -1.445 1.467 1.00 0.00 C ATOM 411 C CYS A 35 4.401 -2.226 2.721 1.00 0.00 C ATOM 412 O CYS A 35 4.709 -3.412 2.841 1.00 0.00 O ATOM 413 CB CYS A 35 3.518 -1.128 0.655 1.00 0.00 C ATOM 414 SG CYS A 35 3.604 0.444 -0.263 1.00 0.00 S ATOM 0 H CYS A 35 5.312 -2.675 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 35 5.246 -0.511 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.340 -1.939 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.661 -1.097 1.328 1.00 0.00 H new ATOM 419 N ASN A 36 3.747 -1.550 3.659 1.00 0.00 N ATOM 420 CA ASN A 36 3.342 -2.179 4.911 1.00 0.00 C ATOM 421 C ASN A 36 2.273 -3.241 4.668 1.00 0.00 C ATOM 422 O ASN A 36 2.579 -4.428 4.550 1.00 0.00 O ATOM 423 CB ASN A 36 2.821 -1.125 5.890 1.00 0.00 C ATOM 424 CG ASN A 36 3.905 -0.604 6.813 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.099 0.710 6.817 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.560 -1.374 7.516 1.00 0.00 N flip ATOM 0 H ASN A 36 3.486 -0.567 3.576 1.00 0.00 H new ATOM 0 HA ASN A 36 4.216 -2.665 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.394 -0.293 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.016 -1.554 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.377 -2.377 7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.285 -1.009 8.133 1.00 0.00 H new ATOM 433 N SER A 37 1.019 -2.808 4.593 1.00 0.00 N ATOM 434 CA SER A 37 -0.094 -3.721 4.360 1.00 0.00 C ATOM 435 C SER A 37 -1.276 -2.983 3.743 1.00 0.00 C ATOM 436 O SER A 37 -1.641 -1.894 4.187 1.00 0.00 O ATOM 437 CB SER A 37 -0.519 -4.387 5.670 1.00 0.00 C ATOM 438 OG SER A 37 -0.705 -5.781 5.498 1.00 0.00 O ATOM 0 H SER A 37 0.748 -1.830 4.690 1.00 0.00 H new ATOM 0 HA SER A 37 0.237 -4.491 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.238 -4.210 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.444 -3.935 6.028 1.00 0.00 H new ATOM 0 HG SER A 37 -0.975 -6.183 6.350 1.00 0.00 H new ATOM 444 N GLY A 38 -1.868 -3.578 2.714 1.00 0.00 N ATOM 445 CA GLY A 38 -2.988 -2.949 2.040 1.00 0.00 C ATOM 446 C GLY A 38 -2.571 -1.692 1.304 1.00 0.00 C ATOM 447 O GLY A 38 -3.383 -0.797 1.071 1.00 0.00 O ATOM 0 H GLY A 38 -1.593 -4.484 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.429 -3.653 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.759 -2.703 2.770 1.00 0.00 H new ATOM 451 N TYR A 39 -1.292 -1.621 0.952 1.00 0.00 N ATOM 452 CA TYR A 39 -0.752 -0.466 0.248 1.00 0.00 C ATOM 453 C TYR A 39 -0.181 -0.872 -1.105 1.00 0.00 C ATOM 454 O TYR A 39 -0.092 -2.057 -1.423 1.00 0.00 O ATOM 455 CB TYR A 39 0.354 0.188 1.079 1.00 0.00 C ATOM 456 CG TYR A 39 -0.120 1.278 2.016 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.678 2.386 2.269 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.345 1.192 2.667 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.263 3.383 3.131 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.761 2.180 3.537 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.958 3.277 3.760 1.00 0.00 C ATOM 462 OH TYR A 39 -1.375 4.268 4.619 1.00 0.00 O ATOM 0 H TYR A 39 -0.608 -2.353 1.144 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.566 0.242 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.854 -0.583 1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.098 0.608 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.639 2.470 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.982 0.338 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.893 4.242 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.712 2.093 4.041 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.258 4.040 4.978 1.00 0.00 H new ATOM 472 N HIS A 40 0.237 0.120 -1.882 1.00 0.00 N ATOM 473 CA HIS A 40 0.847 -0.134 -3.179 1.00 0.00 C ATOM 474 C HIS A 40 2.101 0.718 -3.352 1.00 0.00 C ATOM 475 O HIS A 40 2.037 1.947 -3.320 1.00 0.00 O ATOM 476 CB HIS A 40 -0.153 0.135 -4.311 1.00 0.00 C ATOM 477 CG HIS A 40 -0.394 1.588 -4.581 1.00 0.00 C ATOM 478 ND1 HIS A 40 -0.668 2.612 -3.739 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -0.377 2.132 -5.849 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -0.803 3.743 -4.505 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -0.625 3.428 -5.774 1.00 0.00 N flip ATOM 0 H HIS A 40 0.164 1.107 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 40 1.135 -1.184 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.211 -0.338 -5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.102 -0.340 -4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.190 1.584 -6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.020 4.732 -4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.671 4.074 -6.562 1.00 0.00 H new ATOM 490 N LEU A 41 3.246 0.056 -3.485 1.00 0.00 N ATOM 491 CA LEU A 41 4.515 0.750 -3.653 1.00 0.00 C ATOM 492 C LEU A 41 4.704 1.161 -5.103 1.00 0.00 C ATOM 493 O LEU A 41 4.576 0.341 -6.012 1.00 0.00 O ATOM 494 CB LEU A 41 5.677 -0.141 -3.206 1.00 0.00 C ATOM 495 CG LEU A 41 7.070 0.400 -3.539 1.00 0.00 C ATOM 496 CD1 LEU A 41 8.087 -0.065 -2.508 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.491 -0.034 -4.934 1.00 0.00 C ATOM 0 H LEU A 41 3.320 -0.961 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 41 4.501 1.645 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.609 -0.289 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.563 -1.121 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 41 7.029 1.489 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.070 0.330 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.796 0.295 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.125 -1.154 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.483 0.360 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.513 -1.123 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.779 0.349 -5.665 1.00 0.00 H new ATOM 509 N ILE A 42 4.989 2.436 -5.316 1.00 0.00 N ATOM 510 CA ILE A 42 5.164 2.952 -6.665 1.00 0.00 C ATOM 511 C ILE A 42 6.631 3.219 -6.968 1.00 0.00 C ATOM 512 O ILE A 42 7.415 3.542 -6.076 1.00 0.00 O ATOM 513 CB ILE A 42 4.356 4.243 -6.904 1.00 0.00 C ATOM 514 CG1 ILE A 42 3.088 4.261 -6.047 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.995 4.360 -8.373 1.00 0.00 C ATOM 516 CD1 ILE A 42 2.233 3.027 -6.224 1.00 0.00 C ATOM 0 H ILE A 42 5.104 3.129 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 42 4.789 2.180 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 42 4.973 5.094 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.368 4.354 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.499 5.143 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.424 5.274 -8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.906 4.390 -8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.395 3.500 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.350 3.102 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.925 2.944 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.807 2.144 -5.944 1.00 0.00 H new ATOM 528 N GLY A 43 6.991 3.075 -8.235 1.00 0.00 N ATOM 529 CA GLY A 43 8.366 3.291 -8.648 1.00 0.00 C ATOM 530 C GLY A 43 9.226 2.058 -8.457 1.00 0.00 C ATOM 531 O GLY A 43 8.773 0.936 -8.687 1.00 0.00 O ATOM 0 H GLY A 43 6.355 2.812 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.386 3.586 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.789 4.118 -8.077 1.00 0.00 H new ATOM 535 N GLU A 44 10.469 2.262 -8.030 1.00 0.00 N ATOM 536 CA GLU A 44 11.388 1.157 -7.799 1.00 0.00 C ATOM 537 C GLU A 44 11.021 0.406 -6.527 1.00 0.00 C ATOM 538 O GLU A 44 10.008 0.696 -5.892 1.00 0.00 O ATOM 539 CB GLU A 44 12.820 1.677 -7.688 1.00 0.00 C ATOM 540 CG GLU A 44 12.967 2.826 -6.707 1.00 0.00 C ATOM 541 CD GLU A 44 13.651 4.034 -7.317 1.00 0.00 C ATOM 542 OE1 GLU A 44 14.146 4.885 -6.549 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.690 4.130 -8.561 1.00 0.00 O ATOM 0 H GLU A 44 10.861 3.184 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 44 11.315 0.473 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.473 0.860 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.158 2.003 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.981 3.117 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.538 2.489 -5.842 1.00 0.00 H new ATOM 550 N SER A 45 11.876 -0.531 -6.139 1.00 0.00 N ATOM 551 CA SER A 45 11.648 -1.334 -4.958 1.00 0.00 C ATOM 552 C SER A 45 12.933 -1.996 -4.480 1.00 0.00 C ATOM 553 O SER A 45 12.891 -3.017 -3.793 1.00 0.00 O ATOM 554 CB SER A 45 10.626 -2.408 -5.277 1.00 0.00 C ATOM 555 OG SER A 45 10.874 -2.989 -6.545 1.00 0.00 O ATOM 0 H SER A 45 12.740 -0.750 -6.634 1.00 0.00 H new ATOM 0 HA SER A 45 11.284 -0.681 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.654 -3.180 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.625 -1.978 -5.261 1.00 0.00 H new ATOM 0 HG SER A 45 10.202 -3.679 -6.726 1.00 0.00 H new ATOM 561 N LYS A 46 14.073 -1.429 -4.851 1.00 0.00 N ATOM 562 CA LYS A 46 15.352 -2.017 -4.482 1.00 0.00 C ATOM 563 C LYS A 46 16.471 -0.981 -4.401 1.00 0.00 C ATOM 564 O LYS A 46 16.747 -0.270 -5.367 1.00 0.00 O ATOM 565 CB LYS A 46 15.722 -3.099 -5.495 1.00 0.00 C ATOM 566 CG LYS A 46 15.296 -4.493 -5.078 1.00 0.00 C ATOM 567 CD LYS A 46 16.337 -5.534 -5.456 1.00 0.00 C ATOM 568 CE LYS A 46 17.179 -5.941 -4.259 1.00 0.00 C ATOM 569 NZ LYS A 46 18.265 -6.886 -4.639 1.00 0.00 N ATOM 0 H LYS A 46 14.138 -0.572 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 46 15.241 -2.448 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.262 -2.859 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.801 -3.088 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.132 -4.517 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.345 -4.740 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.841 -6.413 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.983 -5.136 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.615 -5.052 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.541 -6.405 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.042 -6.816 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.894 -7.857 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.619 -6.645 -5.587 1.00 0.00 H new ATOM 583 N SER A 47 17.140 -0.943 -3.250 1.00 0.00 N ATOM 584 CA SER A 47 18.265 -0.038 -3.024 1.00 0.00 C ATOM 585 C SER A 47 19.575 -0.748 -3.325 1.00 0.00 C ATOM 586 O SER A 47 19.701 -1.942 -3.061 1.00 0.00 O ATOM 587 CB SER A 47 18.272 0.425 -1.566 1.00 0.00 C ATOM 588 OG SER A 47 18.675 1.775 -1.452 1.00 0.00 O ATOM 0 H SER A 47 16.918 -1.536 -2.451 1.00 0.00 H new ATOM 0 HA SER A 47 18.159 0.823 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.276 0.305 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.945 -0.207 -0.986 1.00 0.00 H new ATOM 0 HG SER A 47 19.334 1.980 -2.148 1.00 0.00 H new ATOM 594 N TYR A 48 20.564 -0.029 -3.854 1.00 0.00 N ATOM 595 CA TYR A 48 21.856 -0.673 -4.125 1.00 0.00 C ATOM 596 C TYR A 48 22.991 0.001 -3.373 1.00 0.00 C ATOM 597 O TYR A 48 23.257 1.190 -3.542 1.00 0.00 O ATOM 598 CB TYR A 48 22.163 -0.741 -5.624 1.00 0.00 C ATOM 599 CG TYR A 48 20.929 -0.872 -6.476 1.00 0.00 C ATOM 600 CD1 TYR A 48 20.058 -1.932 -6.286 1.00 0.00 C ATOM 601 CD2 TYR A 48 20.633 0.060 -7.461 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.921 -2.066 -7.058 1.00 0.00 C ATOM 603 CE2 TYR A 48 19.498 -0.065 -8.238 1.00 0.00 C ATOM 604 CZ TYR A 48 18.645 -1.130 -8.033 1.00 0.00 C ATOM 605 OH TYR A 48 17.513 -1.258 -8.804 1.00 0.00 O ATOM 0 H TYR A 48 20.506 0.960 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 48 21.773 -1.697 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 48 22.706 0.157 -5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.821 -1.589 -5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 48 20.271 -2.665 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 48 21.299 0.894 -7.622 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.252 -2.899 -6.899 1.00 0.00 H new ATOM 0 HE2 TYR A 48 19.279 0.667 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 48 17.466 -0.516 -9.442 1.00 0.00 H new ATOM 615 N CYS A 49 23.655 -0.785 -2.537 1.00 0.00 N ATOM 616 CA CYS A 49 24.763 -0.295 -1.729 1.00 0.00 C ATOM 617 C CYS A 49 25.969 0.044 -2.597 1.00 0.00 C ATOM 618 O CYS A 49 26.548 -0.830 -3.244 1.00 0.00 O ATOM 619 CB CYS A 49 25.152 -1.339 -0.679 1.00 0.00 C ATOM 620 SG CYS A 49 26.668 -0.939 0.250 1.00 0.00 S ATOM 0 H CYS A 49 23.443 -1.773 -2.400 1.00 0.00 H new ATOM 0 HA CYS A 49 24.437 0.616 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 49 24.328 -1.454 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 49 25.286 -2.302 -1.173 1.00 0.00 H new ATOM 625 N GLU A 50 26.355 1.314 -2.587 1.00 0.00 N ATOM 626 CA GLU A 50 27.504 1.770 -3.361 1.00 0.00 C ATOM 627 C GLU A 50 28.085 3.050 -2.773 1.00 0.00 C ATOM 628 O GLU A 50 27.599 3.562 -1.765 1.00 0.00 O ATOM 629 CB GLU A 50 27.106 2.002 -4.818 1.00 0.00 C ATOM 630 CG GLU A 50 27.476 0.852 -5.740 1.00 0.00 C ATOM 631 CD GLU A 50 26.288 0.326 -6.522 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.583 -0.564 -6.003 1.00 0.00 O ATOM 633 OE2 GLU A 50 26.062 0.806 -7.653 1.00 0.00 O ATOM 0 H GLU A 50 25.890 2.047 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 50 28.267 0.993 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.030 2.167 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.586 2.913 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.247 1.183 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.905 0.042 -5.150 1.00 0.00 H new ATOM 640 N LEU A 51 29.133 3.560 -3.411 1.00 0.00 N ATOM 641 CA LEU A 51 29.782 4.785 -2.961 1.00 0.00 C ATOM 642 C LEU A 51 29.215 5.994 -3.694 1.00 0.00 C ATOM 643 O LEU A 51 28.644 5.862 -4.777 1.00 0.00 O ATOM 644 CB LEU A 51 31.293 4.699 -3.187 1.00 0.00 C ATOM 645 CG LEU A 51 31.718 4.511 -4.645 1.00 0.00 C ATOM 646 CD1 LEU A 51 31.724 5.846 -5.374 1.00 0.00 C ATOM 647 CD2 LEU A 51 33.088 3.855 -4.720 1.00 0.00 C ATOM 0 H LEU A 51 29.551 3.143 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 51 29.589 4.902 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.755 5.609 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.687 3.870 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 51 30.996 3.856 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.029 5.694 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.724 6.278 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.424 6.524 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 33.374 3.729 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 51 33.821 4.485 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.052 2.880 -4.234 1.00 0.00 H new ATOM 659 N GLY A 52 29.373 7.173 -3.101 1.00 0.00 N ATOM 660 CA GLY A 52 28.858 8.380 -3.722 1.00 0.00 C ATOM 661 C GLY A 52 29.590 9.632 -3.281 1.00 0.00 C ATOM 662 O GLY A 52 30.099 10.385 -4.112 1.00 0.00 O ATOM 0 H GLY A 52 29.845 7.314 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.933 8.285 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.799 8.482 -3.483 1.00 0.00 H new ATOM 666 N SER A 53 29.626 9.866 -1.974 1.00 0.00 N ATOM 667 CA SER A 53 30.280 11.049 -1.427 1.00 0.00 C ATOM 668 C SER A 53 31.775 11.041 -1.726 1.00 0.00 C ATOM 669 O SER A 53 32.594 10.748 -0.855 1.00 0.00 O ATOM 670 CB SER A 53 30.047 11.130 0.082 1.00 0.00 C ATOM 671 OG SER A 53 29.504 12.387 0.448 1.00 0.00 O ATOM 0 H SER A 53 29.210 9.252 -1.274 1.00 0.00 H new ATOM 0 HA SER A 53 29.844 11.926 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 53 29.370 10.334 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 53 30.988 10.970 0.608 1.00 0.00 H new ATOM 0 HG SER A 53 29.363 12.413 1.417 1.00 0.00 H new ATOM 677 N THR A 54 32.121 11.376 -2.963 1.00 0.00 N ATOM 678 CA THR A 54 33.517 11.428 -3.382 1.00 0.00 C ATOM 679 C THR A 54 34.247 10.138 -3.023 1.00 0.00 C ATOM 680 O THR A 54 35.462 10.136 -2.826 1.00 0.00 O ATOM 681 CB THR A 54 34.219 12.621 -2.731 1.00 0.00 C ATOM 682 OG1 THR A 54 34.670 12.289 -1.429 1.00 0.00 O ATOM 683 CG2 THR A 54 33.335 13.842 -2.615 1.00 0.00 C ATOM 0 H THR A 54 31.453 11.616 -3.695 1.00 0.00 H new ATOM 0 HA THR A 54 33.539 11.544 -4.466 1.00 0.00 H new ATOM 0 HB THR A 54 35.055 12.859 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 54 33.945 11.856 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.893 14.652 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 54 33.012 14.153 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.462 13.603 -2.008 1.00 0.00 H new ATOM 691 N GLY A 55 33.501 9.042 -2.946 1.00 0.00 N ATOM 692 CA GLY A 55 34.098 7.764 -2.607 1.00 0.00 C ATOM 693 C GLY A 55 33.483 7.146 -1.365 1.00 0.00 C ATOM 694 O GLY A 55 33.630 5.948 -1.124 1.00 0.00 O ATOM 0 H GLY A 55 32.495 9.015 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.981 7.078 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.169 7.897 -2.451 1.00 0.00 H new ATOM 698 N SER A 56 32.794 7.966 -0.576 1.00 0.00 N ATOM 699 CA SER A 56 32.151 7.496 0.645 1.00 0.00 C ATOM 700 C SER A 56 31.168 6.369 0.346 1.00 0.00 C ATOM 701 O SER A 56 31.256 5.712 -0.690 1.00 0.00 O ATOM 702 CB SER A 56 31.428 8.654 1.334 1.00 0.00 C ATOM 703 OG SER A 56 31.138 8.343 2.685 1.00 0.00 O ATOM 0 H SER A 56 32.667 8.961 -0.762 1.00 0.00 H new ATOM 0 HA SER A 56 32.922 7.107 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.046 9.551 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.503 8.877 0.802 1.00 0.00 H new ATOM 0 HG SER A 56 30.677 9.100 3.103 1.00 0.00 H new ATOM 709 N MET A 57 30.235 6.147 1.265 1.00 0.00 N ATOM 710 CA MET A 57 29.240 5.098 1.105 1.00 0.00 C ATOM 711 C MET A 57 27.839 5.687 1.027 1.00 0.00 C ATOM 712 O MET A 57 27.507 6.634 1.740 1.00 0.00 O ATOM 713 CB MET A 57 29.331 4.106 2.263 1.00 0.00 C ATOM 714 CG MET A 57 30.736 3.576 2.484 1.00 0.00 C ATOM 715 SD MET A 57 30.859 1.799 2.210 1.00 0.00 S ATOM 716 CE MET A 57 32.253 1.726 1.089 1.00 0.00 C ATOM 0 H MET A 57 30.148 6.682 2.129 1.00 0.00 H new ATOM 0 HA MET A 57 29.442 4.574 0.171 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.984 4.590 3.176 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.660 3.269 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.424 4.091 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.051 3.805 3.502 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.454 0.688 0.826 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.024 2.292 0.186 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.131 2.154 1.572 1.00 0.00 H new ATOM 726 N VAL A 58 27.027 5.122 0.146 1.00 0.00 N ATOM 727 CA VAL A 58 25.663 5.589 -0.057 1.00 0.00 C ATOM 728 C VAL A 58 24.760 4.436 -0.474 1.00 0.00 C ATOM 729 O VAL A 58 25.199 3.288 -0.538 1.00 0.00 O ATOM 730 CB VAL A 58 25.606 6.689 -1.133 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.940 8.046 -0.533 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.550 6.356 -2.275 1.00 0.00 C ATOM 0 H VAL A 58 27.292 4.333 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 58 25.314 6.002 0.890 1.00 0.00 H new ATOM 0 HB VAL A 58 24.591 6.737 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.894 8.809 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.222 8.284 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 58 26.944 8.019 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.500 7.142 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.569 6.282 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.259 5.405 -2.722 1.00 0.00 H new ATOM 742 N TRP A 59 23.504 4.743 -0.769 1.00 0.00 N ATOM 743 CA TRP A 59 22.555 3.720 -1.181 1.00 0.00 C ATOM 744 C TRP A 59 21.800 4.140 -2.438 1.00 0.00 C ATOM 745 O TRP A 59 21.154 5.187 -2.469 1.00 0.00 O ATOM 746 CB TRP A 59 21.566 3.427 -0.049 1.00 0.00 C ATOM 747 CG TRP A 59 22.124 2.522 1.009 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.777 2.899 2.148 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.078 1.090 1.026 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.137 1.789 2.875 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.723 0.667 2.205 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.556 0.124 0.160 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.857 -0.679 2.536 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.694 -1.210 0.490 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.335 -1.599 1.667 1.00 0.00 C ATOM 0 H TRP A 59 23.121 5.688 -0.731 1.00 0.00 H new ATOM 0 HA TRP A 59 23.117 2.814 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.262 4.367 0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.668 2.973 -0.469 1.00 0.00 H new ATOM 0 HD1 TRP A 59 22.981 3.920 2.435 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.631 1.799 3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 59 21.054 0.416 -0.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.354 -0.986 3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.299 -1.965 -0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.421 -2.651 1.898 1.00 0.00 H new ATOM 766 N ASN A 60 21.856 3.292 -3.460 1.00 0.00 N ATOM 767 CA ASN A 60 21.155 3.551 -4.713 1.00 0.00 C ATOM 768 C ASN A 60 19.655 3.459 -4.482 1.00 0.00 C ATOM 769 O ASN A 60 19.241 3.007 -3.421 1.00 0.00 O ATOM 770 CB ASN A 60 21.590 2.541 -5.766 1.00 0.00 C ATOM 771 CG ASN A 60 22.601 3.114 -6.738 1.00 0.00 C ATOM 772 OD1 ASN A 60 22.349 4.129 -7.388 1.00 0.00 O ATOM 773 ND2 ASN A 60 23.754 2.464 -6.844 1.00 0.00 N ATOM 0 H ASN A 60 22.381 2.418 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 60 21.400 4.552 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.019 1.669 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.715 2.197 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.473 2.802 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.921 1.627 -6.286 1.00 0.00 H new ATOM 780 N PRO A 61 18.832 3.936 -5.450 1.00 0.00 N ATOM 781 CA PRO A 61 17.371 3.949 -5.388 1.00 0.00 C ATOM 782 C PRO A 61 16.786 3.104 -4.264 1.00 0.00 C ATOM 783 O PRO A 61 16.465 1.933 -4.446 1.00 0.00 O ATOM 784 CB PRO A 61 17.028 3.399 -6.766 1.00 0.00 C ATOM 785 CG PRO A 61 18.126 3.919 -7.661 1.00 0.00 C ATOM 786 CD PRO A 61 19.247 4.418 -6.764 1.00 0.00 C ATOM 0 HA PRO A 61 16.957 4.932 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.000 2.309 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.048 3.742 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.486 3.132 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.755 4.724 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.215 4.012 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.335 5.504 -6.790 1.00 0.00 H new ATOM 794 N GLU A 62 16.673 3.720 -3.090 1.00 0.00 N ATOM 795 CA GLU A 62 16.207 3.024 -1.896 1.00 0.00 C ATOM 796 C GLU A 62 14.697 3.100 -1.723 1.00 0.00 C ATOM 797 O GLU A 62 13.997 2.112 -1.922 1.00 0.00 O ATOM 798 CB GLU A 62 16.882 3.578 -0.625 1.00 0.00 C ATOM 799 CG GLU A 62 18.092 4.470 -0.874 1.00 0.00 C ATOM 800 CD GLU A 62 18.803 4.859 0.407 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.473 5.912 0.418 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.689 4.109 1.400 1.00 0.00 O ATOM 0 H GLU A 62 16.899 4.703 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 62 16.484 1.979 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.143 4.144 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.190 2.739 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.791 3.952 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.773 5.372 -1.396 1.00 0.00 H new ATOM 809 N ALA A 63 14.212 4.251 -1.274 1.00 0.00 N ATOM 810 CA ALA A 63 12.807 4.404 -0.929 1.00 0.00 C ATOM 811 C ALA A 63 11.957 4.960 -2.069 1.00 0.00 C ATOM 812 O ALA A 63 12.001 6.156 -2.358 1.00 0.00 O ATOM 813 CB ALA A 63 12.691 5.298 0.293 1.00 0.00 C ATOM 0 H ALA A 63 14.773 5.092 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 63 12.416 3.408 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.640 5.418 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.226 4.845 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.123 6.274 0.072 1.00 0.00 H new ATOM 819 N PRO A 64 11.104 4.113 -2.677 1.00 0.00 N ATOM 820 CA PRO A 64 10.167 4.531 -3.714 1.00 0.00 C ATOM 821 C PRO A 64 8.925 5.154 -3.087 1.00 0.00 C ATOM 822 O PRO A 64 8.978 5.638 -1.956 1.00 0.00 O ATOM 823 CB PRO A 64 9.810 3.217 -4.434 1.00 0.00 C ATOM 824 CG PRO A 64 10.569 2.137 -3.723 1.00 0.00 C ATOM 825 CD PRO A 64 10.936 2.690 -2.380 1.00 0.00 C ATOM 0 HA PRO A 64 10.582 5.282 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.737 3.030 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.088 3.261 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.961 1.239 -3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.460 1.856 -4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.155 2.516 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.850 2.243 -1.990 1.00 0.00 H new ATOM 833 N ILE A 65 7.800 5.107 -3.789 1.00 0.00 N ATOM 834 CA ILE A 65 6.559 5.637 -3.239 1.00 0.00 C ATOM 835 C ILE A 65 5.769 4.538 -2.544 1.00 0.00 C ATOM 836 O ILE A 65 6.164 3.372 -2.551 1.00 0.00 O ATOM 837 CB ILE A 65 5.656 6.289 -4.301 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.463 6.777 -5.498 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.876 7.444 -3.692 1.00 0.00 C ATOM 840 CD1 ILE A 65 5.598 7.434 -6.543 1.00 0.00 C ATOM 0 H ILE A 65 7.721 4.713 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 65 6.855 6.408 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 65 4.958 5.530 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.220 7.485 -5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.992 5.935 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.241 7.896 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.256 7.074 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.571 8.191 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.220 7.764 -7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.858 6.720 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.090 8.294 -6.106 1.00 0.00 H new ATOM 852 N CYS A 66 4.669 4.927 -1.921 1.00 0.00 N ATOM 853 CA CYS A 66 3.811 3.987 -1.219 1.00 0.00 C ATOM 854 C CYS A 66 2.520 4.665 -0.779 1.00 0.00 C ATOM 855 O CYS A 66 2.522 5.834 -0.392 1.00 0.00 O ATOM 856 CB CYS A 66 4.535 3.413 -0.004 1.00 0.00 C ATOM 857 SG CYS A 66 5.140 1.709 -0.233 1.00 0.00 S ATOM 0 H CYS A 66 4.348 5.894 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 66 3.565 3.174 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.380 4.057 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.860 3.435 0.852 1.00 0.00 H new ATOM 862 N GLU A 67 1.424 3.921 -0.817 1.00 0.00 N ATOM 863 CA GLU A 67 0.131 4.454 -0.423 1.00 0.00 C ATOM 864 C GLU A 67 -0.885 3.335 -0.245 1.00 0.00 C ATOM 865 O GLU A 67 -0.596 2.171 -0.522 1.00 0.00 O ATOM 866 CB GLU A 67 -0.367 5.441 -1.478 1.00 0.00 C ATOM 867 CG GLU A 67 -0.808 6.778 -0.906 1.00 0.00 C ATOM 868 CD GLU A 67 -1.513 7.646 -1.930 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.335 7.106 -2.701 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.243 8.864 -1.963 1.00 0.00 O ATOM 0 H GLU A 67 1.406 2.946 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 67 0.248 4.969 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.426 5.611 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.202 4.993 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.474 6.605 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.063 7.310 -0.522 1.00 0.00 H new ATOM 877 N SER A 68 -2.077 3.694 0.213 1.00 0.00 N ATOM 878 CA SER A 68 -3.140 2.719 0.404 1.00 0.00 C ATOM 879 C SER A 68 -4.111 2.749 -0.764 1.00 0.00 C ATOM 880 O SER A 68 -4.683 3.790 -1.086 1.00 0.00 O ATOM 881 CB SER A 68 -3.887 2.983 1.709 1.00 0.00 C ATOM 882 OG SER A 68 -4.159 1.773 2.395 1.00 0.00 O ATOM 0 H SER A 68 -2.331 4.651 0.458 1.00 0.00 H new ATOM 0 HA SER A 68 -2.684 1.730 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.293 3.640 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.821 3.503 1.498 1.00 0.00 H new ATOM 0 HG SER A 68 -3.329 1.262 2.499 1.00 0.00 H new ATOM 888 N VAL A 69 -4.287 1.596 -1.395 1.00 0.00 N ATOM 889 CA VAL A 69 -5.190 1.465 -2.533 1.00 0.00 C ATOM 890 C VAL A 69 -6.524 2.161 -2.260 1.00 0.00 C ATOM 891 O VAL A 69 -7.435 1.579 -1.671 1.00 0.00 O ATOM 892 CB VAL A 69 -5.437 -0.014 -2.867 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.645 -0.813 -1.593 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.272 -0.575 -3.668 1.00 0.00 C ATOM 0 H VAL A 69 -3.813 0.731 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.713 1.946 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.340 -0.091 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.819 -1.859 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.758 -0.733 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.508 -0.421 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.460 -1.624 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.165 -0.014 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.355 -0.490 -3.085 1.00 0.00 H new ATOM 904 N LYS A 70 -6.612 3.422 -2.671 1.00 0.00 N ATOM 905 CA LYS A 70 -7.800 4.234 -2.434 1.00 0.00 C ATOM 906 C LYS A 70 -9.027 3.684 -3.154 1.00 0.00 C ATOM 907 O LYS A 70 -8.985 3.397 -4.351 1.00 0.00 O ATOM 908 CB LYS A 70 -7.546 5.674 -2.883 1.00 0.00 C ATOM 909 CG LYS A 70 -6.833 6.519 -1.841 1.00 0.00 C ATOM 910 CD LYS A 70 -7.782 7.505 -1.181 1.00 0.00 C ATOM 911 CE LYS A 70 -7.372 7.798 0.254 1.00 0.00 C ATOM 912 NZ LYS A 70 -6.314 8.843 0.328 1.00 0.00 N ATOM 0 H LYS A 70 -5.868 3.906 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.003 4.206 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.952 5.661 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.499 6.143 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.395 5.870 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.012 7.061 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.799 8.433 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.795 7.103 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.244 8.124 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.011 6.882 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.063 9.013 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.472 8.522 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.667 9.725 -0.096 1.00 0.00 H new ATOM 926 N CYS A 71 -10.130 3.579 -2.419 1.00 0.00 N ATOM 927 CA CYS A 71 -11.395 3.119 -2.979 1.00 0.00 C ATOM 928 C CYS A 71 -12.431 4.230 -2.882 1.00 0.00 C ATOM 929 O CYS A 71 -12.732 4.713 -1.791 1.00 0.00 O ATOM 930 CB CYS A 71 -11.918 1.869 -2.254 1.00 0.00 C ATOM 931 SG CYS A 71 -10.727 1.046 -1.140 1.00 0.00 S ATOM 0 H CYS A 71 -10.172 3.809 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.221 2.856 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.797 2.149 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.246 1.148 -3.002 1.00 0.00 H new ATOM 936 N GLN A 72 -12.967 4.640 -4.022 1.00 0.00 N ATOM 937 CA GLN A 72 -13.953 5.708 -4.046 1.00 0.00 C ATOM 938 C GLN A 72 -15.263 5.245 -3.417 1.00 0.00 C ATOM 939 O GLN A 72 -15.286 4.281 -2.652 1.00 0.00 O ATOM 940 CB GLN A 72 -14.182 6.189 -5.485 1.00 0.00 C ATOM 941 CG GLN A 72 -15.099 5.292 -6.303 1.00 0.00 C ATOM 942 CD GLN A 72 -14.471 4.852 -7.610 1.00 0.00 C ATOM 943 OE1 GLN A 72 -14.716 5.445 -8.661 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.653 3.808 -7.552 1.00 0.00 N ATOM 0 H GLN A 72 -12.737 4.252 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.572 6.544 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.604 7.193 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.219 6.262 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.359 4.412 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.028 5.822 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.478 3.346 -6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.199 3.468 -8.400 1.00 0.00 H new ATOM 953 N SER A 73 -16.350 5.936 -3.738 1.00 0.00 N ATOM 954 CA SER A 73 -17.656 5.588 -3.200 1.00 0.00 C ATOM 955 C SER A 73 -17.947 4.104 -3.414 1.00 0.00 C ATOM 956 O SER A 73 -17.626 3.549 -4.464 1.00 0.00 O ATOM 957 CB SER A 73 -18.744 6.434 -3.861 1.00 0.00 C ATOM 958 OG SER A 73 -20.006 5.796 -3.780 1.00 0.00 O ATOM 0 H SER A 73 -16.352 6.739 -4.367 1.00 0.00 H new ATOM 0 HA SER A 73 -17.651 5.791 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.795 7.409 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.488 6.609 -4.906 1.00 0.00 H new ATOM 0 HG SER A 73 -20.651 6.400 -3.356 1.00 0.00 H new ATOM 964 N PRO A 74 -18.548 3.435 -2.415 1.00 0.00 N ATOM 965 CA PRO A 74 -18.865 2.009 -2.511 1.00 0.00 C ATOM 966 C PRO A 74 -19.793 1.709 -3.687 1.00 0.00 C ATOM 967 O PRO A 74 -20.457 2.604 -4.210 1.00 0.00 O ATOM 968 CB PRO A 74 -19.547 1.684 -1.176 1.00 0.00 C ATOM 969 CG PRO A 74 -19.175 2.804 -0.260 1.00 0.00 C ATOM 970 CD PRO A 74 -18.965 4.012 -1.128 1.00 0.00 C ATOM 0 HA PRO A 74 -17.974 1.406 -2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.628 1.615 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.207 0.726 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.962 2.984 0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.270 2.565 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.878 4.600 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.203 4.674 -0.718 1.00 0.00 H new ATOM 978 N PRO A 75 -19.826 0.444 -4.140 1.00 0.00 N ATOM 979 CA PRO A 75 -20.649 0.027 -5.275 1.00 0.00 C ATOM 980 C PRO A 75 -22.024 0.684 -5.288 1.00 0.00 C ATOM 981 O PRO A 75 -22.527 1.125 -4.254 1.00 0.00 O ATOM 982 CB PRO A 75 -20.771 -1.479 -5.067 1.00 0.00 C ATOM 983 CG PRO A 75 -19.495 -1.870 -4.400 1.00 0.00 C ATOM 984 CD PRO A 75 -19.054 -0.682 -3.579 1.00 0.00 C ATOM 0 HA PRO A 75 -20.206 0.313 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.634 -1.725 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.899 -2.001 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.641 -2.745 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.737 -2.133 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.270 -0.826 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.981 -0.513 -3.666 1.00 0.00 H new ATOM 992 N SER A 76 -22.623 0.748 -6.473 1.00 0.00 N ATOM 993 CA SER A 76 -23.940 1.349 -6.639 1.00 0.00 C ATOM 994 C SER A 76 -24.994 0.279 -6.904 1.00 0.00 C ATOM 995 O SER A 76 -25.257 -0.078 -8.052 1.00 0.00 O ATOM 996 CB SER A 76 -23.921 2.357 -7.790 1.00 0.00 C ATOM 997 OG SER A 76 -24.987 3.284 -7.676 1.00 0.00 O ATOM 0 H SER A 76 -22.214 0.389 -7.336 1.00 0.00 H new ATOM 0 HA SER A 76 -24.196 1.867 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.970 2.890 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.995 1.829 -8.741 1.00 0.00 H new ATOM 0 HG SER A 76 -24.951 3.918 -8.423 1.00 0.00 H new ATOM 1003 N ILE A 77 -25.601 -0.217 -5.834 1.00 0.00 N ATOM 1004 CA ILE A 77 -26.622 -1.253 -5.943 1.00 0.00 C ATOM 1005 C ILE A 77 -27.897 -0.709 -6.578 1.00 0.00 C ATOM 1006 O ILE A 77 -27.959 0.454 -6.977 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.966 -1.850 -4.565 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.600 -0.786 -3.662 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.718 -2.427 -3.916 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -28.378 -1.363 -2.500 1.00 0.00 C ATOM 0 H ILE A 77 -25.404 0.081 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 77 -26.208 -2.035 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 77 -27.688 -2.654 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.816 -0.135 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -28.265 -0.163 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.974 -2.846 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -25.307 -3.211 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.977 -1.638 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.798 -0.552 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -29.185 -1.991 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.713 -1.962 -1.878 1.00 0.00 H new ATOM 1022 N SER A 78 -28.915 -1.559 -6.660 1.00 0.00 N ATOM 1023 CA SER A 78 -30.196 -1.168 -7.232 1.00 0.00 C ATOM 1024 C SER A 78 -31.236 -0.969 -6.136 1.00 0.00 C ATOM 1025 O SER A 78 -31.223 -1.667 -5.122 1.00 0.00 O ATOM 1026 CB SER A 78 -30.681 -2.229 -8.221 1.00 0.00 C ATOM 1027 OG SER A 78 -29.631 -2.653 -9.073 1.00 0.00 O ATOM 0 H SER A 78 -28.876 -2.526 -6.336 1.00 0.00 H new ATOM 0 HA SER A 78 -30.060 -0.224 -7.760 1.00 0.00 H new ATOM 0 HB2 SER A 78 -31.078 -3.085 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.498 -1.826 -8.819 1.00 0.00 H new ATOM 0 HG SER A 78 -29.968 -3.332 -9.694 1.00 0.00 H new ATOM 1033 N ASN A 79 -32.135 -0.013 -6.343 1.00 0.00 N ATOM 1034 CA ASN A 79 -33.182 0.271 -5.373 1.00 0.00 C ATOM 1035 C ASN A 79 -32.587 0.570 -4.001 1.00 0.00 C ATOM 1036 O ASN A 79 -33.222 0.338 -2.973 1.00 0.00 O ATOM 1037 CB ASN A 79 -34.147 -0.910 -5.280 1.00 0.00 C ATOM 1038 CG ASN A 79 -34.455 -1.513 -6.634 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -35.106 -0.887 -7.471 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -33.990 -2.734 -6.857 1.00 0.00 N ATOM 0 H ASN A 79 -32.158 0.577 -7.174 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.728 1.153 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.718 -1.676 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -35.075 -0.581 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -34.167 -3.192 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -33.455 -3.216 -6.135 1.00 0.00 H new ATOM 1047 N GLY A 80 -31.367 1.094 -3.997 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.707 1.429 -2.748 1.00 0.00 C ATOM 1049 C GLY A 80 -29.470 2.281 -2.954 1.00 0.00 C ATOM 1050 O GLY A 80 -29.289 2.878 -4.016 1.00 0.00 O ATOM 0 H GLY A 80 -30.822 1.293 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.406 1.960 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -30.430 0.511 -2.230 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.623 2.346 -1.933 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.401 3.134 -2.003 1.00 0.00 C ATOM 1056 C ARG A 81 -26.500 2.849 -0.810 1.00 0.00 C ATOM 1057 O ARG A 81 -26.802 1.995 0.024 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.730 4.626 -2.056 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.903 5.028 -1.178 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.524 6.331 -1.650 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.352 6.949 -0.619 1.00 0.00 N ATOM 1062 CZ ARG A 81 -31.141 7.996 -0.838 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.205 8.539 -2.046 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.865 8.503 0.151 1.00 0.00 N ATOM 0 H ARG A 81 -28.762 1.861 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.873 2.851 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.850 5.193 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.948 4.904 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.655 4.239 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.568 5.135 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.735 7.023 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.130 6.143 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.324 6.556 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -30.648 8.153 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.811 9.342 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.817 8.089 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -32.470 9.307 -0.020 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.399 3.582 -0.732 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.448 3.423 0.360 1.00 0.00 C ATOM 1080 C HIS A 82 -24.469 4.639 1.280 1.00 0.00 C ATOM 1081 O HIS A 82 -25.061 5.667 0.952 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.040 3.208 -0.192 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.744 4.038 -1.401 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.560 3.500 -2.658 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.615 5.378 -1.545 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.323 4.473 -3.520 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.353 5.621 -2.870 1.00 0.00 N ATOM 0 H HIS A 82 -25.141 4.295 -1.414 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.740 2.548 0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.313 3.440 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.913 2.155 -0.443 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.601 2.507 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.702 6.118 -0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.136 4.350 -4.577 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.829 4.513 2.439 1.00 0.00 N ATOM 1097 CA ASN A 83 -23.777 5.607 3.401 1.00 0.00 C ATOM 1098 C ASN A 83 -22.520 6.448 3.192 1.00 0.00 C ATOM 1099 O ASN A 83 -22.543 7.439 2.463 1.00 0.00 O ATOM 1100 CB ASN A 83 -23.824 5.063 4.831 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.169 4.452 5.172 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.151 4.644 4.455 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -25.220 3.708 6.271 1.00 0.00 N ATOM 0 H ASN A 83 -23.341 3.667 2.733 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.647 6.245 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.044 4.312 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -23.606 5.869 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.098 3.269 6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.381 3.575 6.836 1.00 0.00 H new ATOM 1110 N GLY A 84 -21.423 6.041 3.824 1.00 0.00 N ATOM 1111 CA GLY A 84 -20.172 6.758 3.670 1.00 0.00 C ATOM 1112 C GLY A 84 -20.252 8.199 4.137 1.00 0.00 C ATOM 1113 O GLY A 84 -21.267 8.869 3.941 1.00 0.00 O ATOM 0 H GLY A 84 -21.379 5.228 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.393 6.243 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -19.875 6.738 2.621 1.00 0.00 H new ATOM 1117 N TYR A 85 -19.172 8.683 4.744 1.00 0.00 N ATOM 1118 CA TYR A 85 -19.115 10.056 5.229 1.00 0.00 C ATOM 1119 C TYR A 85 -18.090 10.860 4.441 1.00 0.00 C ATOM 1120 O TYR A 85 -18.280 12.047 4.177 1.00 0.00 O ATOM 1121 CB TYR A 85 -18.760 10.082 6.717 1.00 0.00 C ATOM 1122 CG TYR A 85 -19.285 8.897 7.496 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -20.506 8.318 7.177 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -18.556 8.355 8.547 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -20.988 7.234 7.885 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -19.032 7.271 9.260 1.00 0.00 C ATOM 1127 CZ TYR A 85 -20.248 6.715 8.925 1.00 0.00 C ATOM 1128 OH TYR A 85 -20.724 5.635 9.632 1.00 0.00 O ATOM 0 H TYR A 85 -18.323 8.142 4.911 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.098 10.507 5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.676 10.120 6.821 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.155 10.997 7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.088 8.722 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.602 8.788 8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.940 6.796 7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.454 6.862 10.075 1.00 0.00 H new ATOM 0 HH TYR A 85 -20.081 5.392 10.331 1.00 0.00 H new ATOM 1138 N GLU A 86 -17.006 10.197 4.069 1.00 0.00 N ATOM 1139 CA GLU A 86 -15.936 10.828 3.311 1.00 0.00 C ATOM 1140 C GLU A 86 -16.164 10.664 1.812 1.00 0.00 C ATOM 1141 O GLU A 86 -17.220 10.198 1.383 1.00 0.00 O ATOM 1142 CB GLU A 86 -14.591 10.215 3.706 1.00 0.00 C ATOM 1143 CG GLU A 86 -13.833 11.030 4.739 1.00 0.00 C ATOM 1144 CD GLU A 86 -12.452 11.435 4.263 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -12.117 12.634 4.364 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -11.706 10.553 3.788 1.00 0.00 O ATOM 0 H GLU A 86 -16.843 9.213 4.282 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.930 11.893 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.759 9.212 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.973 10.109 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.406 11.925 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.741 10.450 5.658 1.00 0.00 H new ATOM 1153 N ASP A 87 -15.168 11.045 1.021 1.00 0.00 N ATOM 1154 CA ASP A 87 -15.261 10.933 -0.430 1.00 0.00 C ATOM 1155 C ASP A 87 -14.445 9.751 -0.944 1.00 0.00 C ATOM 1156 O ASP A 87 -14.694 9.242 -2.037 1.00 0.00 O ATOM 1157 CB ASP A 87 -14.780 12.223 -1.095 1.00 0.00 C ATOM 1158 CG ASP A 87 -15.916 13.008 -1.722 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.752 13.548 -0.967 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -15.970 13.083 -2.967 1.00 0.00 O ATOM 0 H ASP A 87 -14.288 11.434 1.359 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.307 10.766 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.278 12.845 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.043 11.981 -1.861 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.471 9.318 -0.151 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.618 8.201 -0.534 1.00 0.00 C ATOM 1167 C PHE A 88 -12.453 7.216 0.618 1.00 0.00 C ATOM 1168 O PHE A 88 -12.887 7.478 1.740 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.249 8.714 -0.979 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.146 8.940 -2.456 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.541 10.142 -3.017 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.651 7.947 -3.281 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.444 10.348 -4.379 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.552 8.146 -4.642 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.949 9.349 -5.194 1.00 0.00 C ATOM 0 H PHE A 88 -13.253 9.723 0.759 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.096 7.680 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.034 9.649 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.485 7.998 -0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.929 10.926 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.338 7.005 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.755 11.290 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.164 7.362 -5.276 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.872 9.507 -6.260 1.00 0.00 H new ATOM 1185 N TYR A 89 -11.822 6.082 0.332 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.599 5.055 1.342 1.00 0.00 C ATOM 1187 C TYR A 89 -10.297 4.305 1.075 1.00 0.00 C ATOM 1188 O TYR A 89 -9.726 4.406 -0.011 1.00 0.00 O ATOM 1189 CB TYR A 89 -12.778 4.080 1.371 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.108 4.751 1.632 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -14.777 5.432 0.622 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.688 4.713 2.894 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -15.992 6.044 0.860 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -15.901 5.327 3.139 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.548 5.990 2.119 1.00 0.00 C ATOM 1196 OH TYR A 89 -17.753 6.604 2.360 1.00 0.00 O ATOM 0 H TYR A 89 -11.456 5.851 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.518 5.541 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.827 3.552 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.601 3.330 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.340 5.483 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.183 4.195 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.504 6.562 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.340 5.288 4.125 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.074 7.029 1.537 1.00 0.00 H new ATOM 1206 N THR A 90 -9.824 3.566 2.073 1.00 0.00 N ATOM 1207 CA THR A 90 -8.573 2.824 1.945 1.00 0.00 C ATOM 1208 C THR A 90 -8.712 1.399 2.475 1.00 0.00 C ATOM 1209 O THR A 90 -9.802 0.967 2.848 1.00 0.00 O ATOM 1210 CB THR A 90 -7.455 3.554 2.693 1.00 0.00 C ATOM 1211 OG1 THR A 90 -7.901 3.978 3.969 1.00 0.00 O ATOM 1212 CG2 THR A 90 -6.941 4.772 1.958 1.00 0.00 C ATOM 0 H THR A 90 -10.286 3.464 2.977 1.00 0.00 H new ATOM 0 HA THR A 90 -8.324 2.765 0.886 1.00 0.00 H new ATOM 0 HB THR A 90 -6.643 2.832 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.172 4.441 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.150 5.243 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.545 4.471 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.756 5.481 1.813 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.600 0.670 2.495 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.592 -0.704 2.973 1.00 0.00 C ATOM 1222 C ASP A 91 -7.937 -0.770 4.448 1.00 0.00 C ATOM 1223 O ASP A 91 -7.086 -0.565 5.314 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.230 -1.350 2.738 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.231 -2.299 1.556 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.341 -2.172 0.691 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -7.120 -3.174 1.499 1.00 0.00 O ATOM 0 H ASP A 91 -6.691 1.012 2.184 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.348 -1.252 2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.486 -0.571 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.930 -1.892 3.634 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.191 -1.070 4.717 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.648 -1.201 6.084 1.00 0.00 C ATOM 1234 C GLY A 92 -10.817 -0.292 6.411 1.00 0.00 C ATOM 1235 O GLY A 92 -11.059 0.016 7.578 1.00 0.00 O ATOM 0 H GLY A 92 -9.909 -1.227 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.938 -2.236 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.822 -0.978 6.760 1.00 0.00 H new ATOM 1239 N SER A 93 -11.552 0.135 5.388 1.00 0.00 N ATOM 1240 CA SER A 93 -12.709 0.999 5.602 1.00 0.00 C ATOM 1241 C SER A 93 -14.003 0.204 5.478 1.00 0.00 C ATOM 1242 O SER A 93 -14.033 -0.855 4.853 1.00 0.00 O ATOM 1243 CB SER A 93 -12.711 2.161 4.607 1.00 0.00 C ATOM 1244 OG SER A 93 -11.442 2.318 4.000 1.00 0.00 O ATOM 0 H SER A 93 -11.370 -0.100 4.412 1.00 0.00 H new ATOM 0 HA SER A 93 -12.642 1.406 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.465 1.985 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.988 3.082 5.120 1.00 0.00 H new ATOM 0 HG SER A 93 -11.218 1.508 3.495 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.068 0.713 6.086 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.357 0.041 6.045 1.00 0.00 C ATOM 1252 C VAL A 94 -17.487 1.032 5.783 1.00 0.00 C ATOM 1253 O VAL A 94 -17.417 2.195 6.180 1.00 0.00 O ATOM 1254 CB VAL A 94 -16.630 -0.728 7.356 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -15.601 -1.830 7.538 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.039 -1.306 7.376 1.00 0.00 C ATOM 0 H VAL A 94 -15.063 1.587 6.612 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.321 -0.674 5.223 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.548 -0.025 8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.802 -2.366 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.658 -2.523 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -14.603 -1.393 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.199 -1.841 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.765 -0.498 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.162 -1.994 6.539 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.530 0.553 5.116 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.688 1.379 4.802 1.00 0.00 C ATOM 1268 C VAL A 95 -20.970 0.561 4.876 1.00 0.00 C ATOM 1269 O VAL A 95 -20.974 -0.634 4.581 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.574 2.002 3.401 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.682 3.014 3.166 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.212 2.648 3.214 1.00 0.00 C ATOM 0 H VAL A 95 -18.597 -0.408 4.781 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.719 2.179 5.542 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.682 1.205 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.580 3.441 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.650 2.520 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.613 3.808 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.150 3.084 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.075 3.430 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.433 1.895 3.330 1.00 0.00 H new ATOM 1282 N THR A 96 -22.054 1.210 5.275 1.00 0.00 N ATOM 1283 CA THR A 96 -23.344 0.543 5.389 1.00 0.00 C ATOM 1284 C THR A 96 -24.271 0.963 4.257 1.00 0.00 C ATOM 1285 O THR A 96 -24.449 2.152 3.993 1.00 0.00 O ATOM 1286 CB THR A 96 -23.991 0.859 6.739 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.244 1.844 7.432 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.112 -0.347 7.644 1.00 0.00 C ATOM 0 H THR A 96 -22.067 2.199 5.526 1.00 0.00 H new ATOM 0 HA THR A 96 -23.177 -0.532 5.320 1.00 0.00 H new ATOM 0 HB THR A 96 -24.994 1.215 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.673 2.035 8.292 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.579 -0.051 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.724 -1.107 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.120 -0.753 7.844 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.856 -0.022 3.585 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.756 0.245 2.473 1.00 0.00 C ATOM 1298 C TYR A 97 -27.189 0.420 2.957 1.00 0.00 C ATOM 1299 O TYR A 97 -27.556 -0.056 4.031 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.682 -0.889 1.452 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.580 -0.722 0.436 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.267 -0.504 0.834 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.851 -0.795 -0.923 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.258 -0.356 -0.094 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.845 -0.649 -1.857 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.552 -0.428 -1.438 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.548 -0.288 -2.366 1.00 0.00 O ATOM 0 H TYR A 97 -24.722 -1.012 3.792 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.442 1.175 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.537 -1.832 1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.637 -0.959 0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.033 -0.450 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.864 -0.969 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.242 -0.185 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -24.071 -0.708 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.763 0.452 -2.971 1.00 0.00 H new ATOM 1317 N SER A 98 -27.995 1.111 2.158 1.00 0.00 N ATOM 1318 CA SER A 98 -29.389 1.356 2.510 1.00 0.00 C ATOM 1319 C SER A 98 -30.258 1.504 1.265 1.00 0.00 C ATOM 1320 O SER A 98 -29.844 2.106 0.274 1.00 0.00 O ATOM 1321 CB SER A 98 -29.502 2.613 3.375 1.00 0.00 C ATOM 1322 OG SER A 98 -28.738 2.486 4.562 1.00 0.00 O ATOM 0 H SER A 98 -27.708 1.510 1.264 1.00 0.00 H new ATOM 0 HA SER A 98 -29.747 0.495 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.159 3.479 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.547 2.791 3.629 1.00 0.00 H new ATOM 0 HG SER A 98 -27.966 3.088 4.520 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.469 0.958 1.329 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.402 1.030 0.209 1.00 0.00 C ATOM 1330 C CYS A 99 -32.950 2.446 0.044 1.00 0.00 C ATOM 1331 O CYS A 99 -32.866 3.264 0.960 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.556 0.048 0.418 1.00 0.00 C ATOM 1333 SG CYS A 99 -33.032 -1.689 0.591 1.00 0.00 S ATOM 0 H CYS A 99 -31.827 0.461 2.144 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.862 0.761 -0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.110 0.340 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -34.243 0.127 -0.424 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.524 2.723 -1.124 1.00 0.00 N ATOM 1339 CA ASN A 100 -34.072 4.041 -1.413 1.00 0.00 C ATOM 1340 C ASN A 100 -35.578 4.090 -1.158 1.00 0.00 C ATOM 1341 O ASN A 100 -36.034 4.725 -0.207 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.775 4.421 -2.864 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.347 4.107 -3.259 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.412 4.355 -2.499 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -32.172 3.551 -4.450 1.00 0.00 N ATOM 0 H ASN A 100 -33.621 2.050 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.596 4.757 -0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.458 3.887 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.963 5.485 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -31.233 3.311 -4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.976 3.363 -5.048 1.00 0.00 H new ATOM 1352 N SER A 101 -36.347 3.432 -2.021 1.00 0.00 N ATOM 1353 CA SER A 101 -37.801 3.417 -1.893 1.00 0.00 C ATOM 1354 C SER A 101 -38.233 2.777 -0.578 1.00 0.00 C ATOM 1355 O SER A 101 -39.339 3.018 -0.094 1.00 0.00 O ATOM 1356 CB SER A 101 -38.429 2.662 -3.066 1.00 0.00 C ATOM 1357 OG SER A 101 -39.818 2.928 -3.160 1.00 0.00 O ATOM 0 H SER A 101 -35.988 2.903 -2.816 1.00 0.00 H new ATOM 0 HA SER A 101 -38.147 4.451 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.937 2.952 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 101 -38.268 1.591 -2.941 1.00 0.00 H new ATOM 0 HG SER A 101 -40.195 2.435 -3.918 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.360 1.954 -0.009 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.677 1.289 1.241 1.00 0.00 C ATOM 1365 C GLY A 102 -37.598 -0.222 1.132 1.00 0.00 C ATOM 1366 O GLY A 102 -38.331 -0.939 1.812 1.00 0.00 O ATOM 0 H GLY A 102 -36.439 1.735 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.990 1.631 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.680 1.575 1.557 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.707 -0.705 0.271 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.524 -2.134 0.081 1.00 0.00 C ATOM 1372 C TYR A 103 -35.875 -2.757 1.311 1.00 0.00 C ATOM 1373 O TYR A 103 -35.679 -2.093 2.328 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.658 -2.388 -1.156 1.00 0.00 C ATOM 1375 CG TYR A 103 -36.441 -2.416 -2.449 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.721 -1.244 -3.140 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.898 -3.616 -2.979 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -37.436 -1.266 -4.322 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -37.615 -3.646 -4.160 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.881 -2.470 -4.828 1.00 0.00 C ATOM 1381 OH TYR A 103 -38.594 -2.496 -6.004 1.00 0.00 O ATOM 0 H TYR A 103 -36.100 -0.123 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.501 -2.595 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.895 -1.612 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -35.138 -3.338 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -36.374 -0.300 -2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -36.690 -4.540 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -37.645 -0.346 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -37.965 -4.587 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 103 -38.832 -3.421 -6.222 1.00 0.00 H new ATOM 1391 N SER A 104 -35.545 -4.036 1.208 1.00 0.00 N ATOM 1392 CA SER A 104 -34.903 -4.752 2.301 1.00 0.00 C ATOM 1393 C SER A 104 -33.479 -5.134 1.920 1.00 0.00 C ATOM 1394 O SER A 104 -33.266 -6.046 1.119 1.00 0.00 O ATOM 1395 CB SER A 104 -35.702 -6.007 2.659 1.00 0.00 C ATOM 1396 OG SER A 104 -37.083 -5.825 2.398 1.00 0.00 O ATOM 0 H SER A 104 -35.712 -4.601 0.375 1.00 0.00 H new ATOM 0 HA SER A 104 -34.871 -4.095 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.329 -6.855 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.556 -6.246 3.712 1.00 0.00 H new ATOM 0 HG SER A 104 -37.247 -5.905 1.435 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.504 -4.430 2.490 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.102 -4.685 2.185 1.00 0.00 C ATOM 1404 C LEU A 105 -30.788 -6.171 2.220 1.00 0.00 C ATOM 1405 O LEU A 105 -31.025 -6.853 3.217 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.180 -3.935 3.137 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.959 -3.324 2.453 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.144 -1.829 2.283 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.691 -3.636 3.219 1.00 0.00 C ATOM 0 H LEU A 105 -32.660 -3.680 3.164 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.925 -4.319 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.745 -3.143 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.845 -4.618 3.918 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.860 -3.771 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.266 -1.407 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.026 -1.639 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.273 -1.365 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.838 -3.188 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.765 -3.228 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.555 -4.716 3.273 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.269 -6.659 1.108 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.912 -8.062 0.977 1.00 0.00 C ATOM 1423 C ILE A 106 -28.462 -8.283 1.388 1.00 0.00 C ATOM 1424 O ILE A 106 -27.636 -7.383 1.282 1.00 0.00 O ATOM 1425 CB ILE A 106 -30.126 -8.551 -0.469 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.605 -8.461 -0.842 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.619 -9.975 -0.642 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.509 -9.247 0.082 1.00 0.00 C ATOM 0 H ILE A 106 -30.084 -6.100 0.275 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.561 -8.637 1.638 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.555 -7.906 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.911 -7.415 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.737 -8.823 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.782 -10.297 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.554 -10.012 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.158 -10.638 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.544 -9.138 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -32.229 -10.300 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.406 -8.870 1.099 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.160 -9.486 1.854 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.811 -9.792 2.283 1.00 0.00 C ATOM 1442 C GLY A 107 -26.396 -8.972 3.485 1.00 0.00 C ATOM 1443 O GLY A 107 -27.128 -8.887 4.471 1.00 0.00 O ATOM 0 H GLY A 107 -28.824 -10.255 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.740 -10.852 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.119 -9.606 1.462 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.226 -8.358 3.397 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.718 -7.523 4.478 1.00 0.00 C ATOM 1449 C ASN A 108 -24.621 -6.068 4.037 1.00 0.00 C ATOM 1450 O ASN A 108 -24.209 -5.775 2.915 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.347 -8.018 4.938 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.300 -9.524 5.096 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.572 -10.213 4.381 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.080 -10.043 6.037 1.00 0.00 N ATOM 0 H ASN A 108 -24.609 -8.422 2.588 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.417 -7.590 5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.591 -7.707 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.094 -7.548 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.092 -11.051 6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.667 -9.433 6.606 1.00 0.00 H new ATOM 1461 N SER A 109 -25.005 -5.160 4.926 1.00 0.00 N ATOM 1462 CA SER A 109 -24.960 -3.737 4.631 1.00 0.00 C ATOM 1463 C SER A 109 -23.535 -3.210 4.731 1.00 0.00 C ATOM 1464 O SER A 109 -23.150 -2.285 4.016 1.00 0.00 O ATOM 1465 CB SER A 109 -25.883 -2.976 5.577 1.00 0.00 C ATOM 1466 OG SER A 109 -26.604 -3.866 6.412 1.00 0.00 O ATOM 0 H SER A 109 -25.351 -5.386 5.858 1.00 0.00 H new ATOM 0 HA SER A 109 -25.305 -3.583 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 109 -25.296 -2.292 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.580 -2.369 5.000 1.00 0.00 H new ATOM 0 HG SER A 109 -27.187 -3.353 7.010 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.749 -3.832 5.597 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.365 -3.439 5.759 1.00 0.00 C ATOM 1474 C GLY A 110 -20.507 -3.867 4.584 1.00 0.00 C ATOM 1475 O GLY A 110 -20.516 -5.034 4.193 1.00 0.00 O ATOM 0 H GLY A 110 -23.047 -4.605 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.307 -2.357 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.969 -3.878 6.675 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.775 -2.918 4.009 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.907 -3.205 2.872 1.00 0.00 C ATOM 1481 C VAL A 111 -17.460 -2.871 3.204 1.00 0.00 C ATOM 1482 O VAL A 111 -17.143 -1.736 3.551 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.325 -2.419 1.620 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.743 -3.058 0.369 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.839 -2.323 1.526 1.00 0.00 C ATOM 0 H VAL A 111 -19.765 -1.944 4.311 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.003 -4.270 2.662 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.928 -1.407 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.050 -2.487 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.655 -3.063 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.106 -4.082 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.113 -1.762 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.264 -3.325 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.227 -1.812 2.408 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.587 -3.866 3.101 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.179 -3.676 3.422 1.00 0.00 C ATOM 1497 C LEU A 112 -14.422 -3.025 2.272 1.00 0.00 C ATOM 1498 O LEU A 112 -14.372 -3.560 1.165 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.524 -5.017 3.769 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.994 -4.985 3.873 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.438 -6.393 4.018 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.558 -4.112 5.039 1.00 0.00 C ATOM 0 H LEU A 112 -16.829 -4.810 2.799 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.131 -3.011 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.930 -5.368 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.806 -5.749 3.012 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.595 -4.554 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.351 -6.349 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.843 -6.853 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.720 -6.987 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.470 -4.101 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.924 -3.096 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.967 -4.512 5.966 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.795 -1.889 2.557 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.969 -1.213 1.573 1.00 0.00 C ATOM 1516 C CYS A 113 -11.547 -1.743 1.662 1.00 0.00 C ATOM 1517 O CYS A 113 -10.820 -1.432 2.610 1.00 0.00 O ATOM 1518 CB CYS A 113 -12.971 0.295 1.808 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.788 1.210 0.768 1.00 0.00 S ATOM 0 H CYS A 113 -13.845 -1.420 3.461 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.376 -1.407 0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.974 0.680 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.743 0.489 2.856 1.00 0.00 H new ATOM 1524 N SER A 114 -11.175 -2.584 0.707 1.00 0.00 N ATOM 1525 CA SER A 114 -9.851 -3.189 0.699 1.00 0.00 C ATOM 1526 C SER A 114 -9.338 -3.371 -0.724 1.00 0.00 C ATOM 1527 O SER A 114 -10.104 -3.312 -1.685 1.00 0.00 O ATOM 1528 CB SER A 114 -9.885 -4.536 1.421 1.00 0.00 C ATOM 1529 OG SER A 114 -8.888 -5.413 0.925 1.00 0.00 O ATOM 0 H SER A 114 -11.772 -2.863 -0.072 1.00 0.00 H new ATOM 0 HA SER A 114 -9.169 -2.519 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.737 -4.382 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.867 -4.992 1.298 1.00 0.00 H new ATOM 0 HG SER A 114 -8.933 -6.265 1.407 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.034 -3.596 -0.848 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.426 -3.795 -2.153 1.00 0.00 C ATOM 1537 C GLY A 115 -7.903 -2.791 -3.187 1.00 0.00 C ATOM 1538 O GLY A 115 -7.965 -3.099 -4.377 1.00 0.00 O ATOM 0 H GLY A 115 -7.383 -3.644 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.342 -3.724 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.650 -4.803 -2.503 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.239 -1.588 -2.733 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.715 -0.562 -3.642 1.00 0.00 C ATOM 1544 C GLY A 116 -10.064 -0.904 -4.245 1.00 0.00 C ATOM 1545 O GLY A 116 -10.445 -0.360 -5.281 1.00 0.00 O ATOM 0 H GLY A 116 -8.190 -1.306 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.788 0.386 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.987 -0.423 -4.442 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.785 -1.811 -3.594 1.00 0.00 N ATOM 1550 CA GLU A 117 -12.099 -2.228 -4.062 1.00 0.00 C ATOM 1551 C GLU A 117 -13.030 -2.484 -2.884 1.00 0.00 C ATOM 1552 O GLU A 117 -12.615 -2.416 -1.727 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.981 -3.491 -4.919 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.551 -3.217 -6.350 1.00 0.00 C ATOM 1555 CD GLU A 117 -12.615 -3.598 -7.360 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -13.758 -3.112 -7.229 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -12.307 -4.384 -8.280 1.00 0.00 O ATOM 0 H GLU A 117 -10.478 -2.272 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.517 -1.426 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.263 -4.168 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.943 -4.004 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.315 -2.158 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.637 -3.771 -6.564 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.288 -2.783 -3.182 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.274 -3.041 -2.145 1.00 0.00 C ATOM 1566 C TRP A 118 -15.711 -4.500 -2.158 1.00 0.00 C ATOM 1567 O TRP A 118 -15.836 -5.111 -3.219 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.481 -2.129 -2.340 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.179 -0.691 -2.059 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.798 0.256 -2.965 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.215 -0.040 -0.784 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.602 1.459 -2.333 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.851 1.303 -0.995 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.522 -0.458 0.514 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.787 2.228 0.041 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.458 0.462 1.543 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.095 1.793 1.301 1.00 0.00 C ATOM 0 H TRP A 118 -14.648 -2.852 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.818 -2.833 -1.177 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.840 -2.225 -3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.288 -2.459 -1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.670 0.084 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.317 2.327 -2.786 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.804 -1.482 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.504 3.254 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.692 0.150 2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.058 2.490 2.125 1.00 0.00 H new ATOM 1588 N SER A 119 -15.937 -5.055 -0.972 1.00 0.00 N ATOM 1589 CA SER A 119 -16.349 -6.446 -0.851 1.00 0.00 C ATOM 1590 C SER A 119 -17.590 -6.581 0.026 1.00 0.00 C ATOM 1591 O SER A 119 -17.791 -5.809 0.964 1.00 0.00 O ATOM 1592 CB SER A 119 -15.209 -7.287 -0.271 1.00 0.00 C ATOM 1593 OG SER A 119 -14.121 -6.470 0.124 1.00 0.00 O ATOM 0 H SER A 119 -15.842 -4.563 -0.084 1.00 0.00 H new ATOM 0 HA SER A 119 -16.595 -6.810 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.571 -7.854 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.873 -8.011 -1.013 1.00 0.00 H new ATOM 0 HG SER A 119 -13.407 -7.031 0.492 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.415 -7.575 -0.290 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.630 -7.844 0.470 1.00 0.00 C ATOM 1601 C ASP A 120 -20.703 -6.783 0.232 1.00 0.00 C ATOM 1602 O ASP A 120 -21.332 -6.309 1.177 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.308 -7.928 1.958 1.00 0.00 C ATOM 1604 CG ASP A 120 -20.371 -8.673 2.741 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -21.399 -9.048 2.138 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.177 -8.879 3.957 1.00 0.00 O ATOM 0 H ASP A 120 -18.262 -8.211 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 120 -20.026 -8.799 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -18.348 -8.426 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.203 -6.921 2.361 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.955 -6.418 -1.037 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.991 -5.445 -1.380 1.00 0.00 C ATOM 1613 C PRO A 121 -23.383 -6.075 -1.340 1.00 0.00 C ATOM 1614 O PRO A 121 -23.583 -7.178 -1.848 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.622 -5.036 -2.802 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.974 -6.248 -3.380 1.00 0.00 C ATOM 1617 CD PRO A 121 -20.275 -6.943 -2.236 1.00 0.00 C ATOM 0 HA PRO A 121 -22.032 -4.607 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -22.504 -4.746 -3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.944 -4.182 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.715 -6.903 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.264 -5.974 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -20.370 -8.026 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -19.209 -6.717 -2.222 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.361 -5.397 -0.716 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.714 -5.921 -0.580 1.00 0.00 C ATOM 1627 C PRO A 122 -26.620 -5.567 -1.743 1.00 0.00 C ATOM 1628 O PRO A 122 -26.194 -4.979 -2.736 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.219 -5.237 0.682 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.480 -3.941 0.752 1.00 0.00 C ATOM 1631 CD PRO A 122 -24.217 -4.088 -0.059 1.00 0.00 C ATOM 0 HA PRO A 122 -25.713 -7.011 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.296 -5.074 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -26.026 -5.848 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -26.093 -3.130 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.243 -3.691 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -24.117 -3.285 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.331 -4.056 0.575 1.00 0.00 H new ATOM 1639 N THR A 123 -27.887 -5.918 -1.586 1.00 0.00 N ATOM 1640 CA THR A 123 -28.904 -5.613 -2.582 1.00 0.00 C ATOM 1641 C THR A 123 -30.099 -4.954 -1.912 1.00 0.00 C ATOM 1642 O THR A 123 -29.999 -4.479 -0.782 1.00 0.00 O ATOM 1643 CB THR A 123 -29.341 -6.883 -3.314 1.00 0.00 C ATOM 1644 OG1 THR A 123 -28.466 -7.958 -3.018 1.00 0.00 O ATOM 1645 CG2 THR A 123 -29.381 -6.724 -4.818 1.00 0.00 C ATOM 0 H THR A 123 -28.238 -6.419 -0.770 1.00 0.00 H new ATOM 0 HA THR A 123 -28.481 -4.926 -3.315 1.00 0.00 H new ATOM 0 HB THR A 123 -30.352 -7.087 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 123 -28.763 -8.762 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 123 -29.699 -7.661 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 123 -30.085 -5.935 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 123 -28.388 -6.461 -5.183 1.00 0.00 H new ATOM 1653 N CYS A 124 -31.228 -4.924 -2.605 1.00 0.00 N ATOM 1654 CA CYS A 124 -32.431 -4.329 -2.047 1.00 0.00 C ATOM 1655 C CYS A 124 -33.678 -4.972 -2.634 1.00 0.00 C ATOM 1656 O CYS A 124 -34.183 -4.546 -3.672 1.00 0.00 O ATOM 1657 CB CYS A 124 -32.449 -2.819 -2.292 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.573 -1.851 -1.022 1.00 0.00 S ATOM 0 H CYS A 124 -31.335 -5.301 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.426 -4.508 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -32.000 -2.614 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -33.484 -2.482 -2.341 1.00 0.00 H new ATOM 1663 N GLN A 125 -34.168 -6.000 -1.955 1.00 0.00 N ATOM 1664 CA GLN A 125 -35.354 -6.713 -2.397 1.00 0.00 C ATOM 1665 C GLN A 125 -36.433 -6.686 -1.325 1.00 0.00 C ATOM 1666 O GLN A 125 -36.148 -6.493 -0.143 1.00 0.00 O ATOM 1667 CB GLN A 125 -35.001 -8.159 -2.739 1.00 0.00 C ATOM 1668 CG GLN A 125 -34.479 -8.338 -4.153 1.00 0.00 C ATOM 1669 CD GLN A 125 -33.478 -9.472 -4.266 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -33.569 -10.469 -3.550 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -32.515 -9.323 -5.168 1.00 0.00 N ATOM 0 H GLN A 125 -33.759 -6.359 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 125 -35.738 -6.216 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -34.250 -8.517 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -35.886 -8.782 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -35.316 -8.529 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -34.011 -7.411 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -32.478 -8.479 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.812 -10.052 -5.289 1.00 0.00 H new ATOM 1680 N ILE A 126 -37.671 -6.888 -1.749 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.802 -6.898 -0.831 1.00 0.00 C ATOM 1682 C ILE A 126 -39.039 -8.295 -0.279 1.00 0.00 C ATOM 1683 O ILE A 126 -39.915 -9.025 -0.742 1.00 0.00 O ATOM 1684 CB ILE A 126 -40.081 -6.390 -1.512 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -39.860 -4.963 -2.008 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -41.270 -6.456 -0.561 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.905 -3.916 -0.914 1.00 0.00 C ATOM 0 H ILE A 126 -37.919 -7.048 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.556 -6.226 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 126 -40.307 -7.032 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -38.893 -4.909 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -40.619 -4.727 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -42.163 -6.090 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -41.428 -7.488 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -41.071 -5.837 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.739 -2.930 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.880 -3.940 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -39.128 -4.124 -0.179 1.00 0.00 H new TER 1699 ILE A 126