USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 64 GLN : amide:sc= -2.23 K(o=-4.6,f=-1.7) USER MOD Set 1.2: A 67 MET CE :methyl -123:sc= -2.35 (180deg=-1.34!) USER MOD Set 2.1: A 12 GLN : amide:sc= -3.64! C(o=-3.6!,f=-5.2!) USER MOD Set 2.2: A 13 CYS SG : rot 8:sc= 0.0877 USER MOD Single : A 1 GLY N :NH3+ -119:sc= -0.698 (180deg=-2.3!) USER MOD Single : A 4 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.8!) USER MOD Single : A 8 SER OG : rot 160:sc= -0.0707 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.54) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -9:sc= 0.855 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.314 (180deg=-1.28!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0427 (180deg=-0.443) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 34 THR OG1 : rot -133:sc= -1.68 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0125 K(o=-0.012,f=-0.54) USER MOD Single : A 42 THR OG1 : rot -13:sc= 0.616 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -113:sc= 1.51 USER MOD Single : A 48 TYR OH : rot -50:sc= 0.77 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.09 (180deg=-0.67) USER MOD Single : A 56 CYS SG : rot 47:sc= 1.14 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -110:sc= -1.36! (180deg=-3.14!) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= -0.244 (180deg=-1.35!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 132:sc= 0.798 (180deg=-0.788) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.647 0.342 23.133 1.00 0.00 N ATOM 2 CA GLY A 1 -14.066 0.424 22.687 1.00 0.00 C ATOM 3 C GLY A 1 -14.120 0.971 21.263 1.00 0.00 C ATOM 4 O GLY A 1 -14.515 2.115 21.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.407 -0.647 23.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.025 0.692 22.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.517 0.923 23.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.529 -0.562 22.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.633 1.070 23.358 1.00 0.00 H new ATOM 10 N PRO A 2 -13.729 0.173 20.303 1.00 0.00 N ATOM 11 CA PRO A 2 -13.726 0.577 18.863 1.00 0.00 C ATOM 12 C PRO A 2 -15.111 1.027 18.394 1.00 0.00 C ATOM 13 O PRO A 2 -15.236 1.894 17.529 1.00 0.00 O ATOM 14 CB PRO A 2 -13.276 -0.698 18.125 1.00 0.00 C ATOM 15 CG PRO A 2 -12.557 -1.513 19.153 1.00 0.00 C ATOM 16 CD PRO A 2 -13.242 -1.205 20.484 1.00 0.00 C ATOM 0 HA PRO A 2 -13.073 1.430 18.675 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.130 -1.240 17.719 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.623 -0.458 17.286 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.616 -2.576 18.920 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.499 -1.253 19.188 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.059 -1.897 20.686 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.547 -1.280 21.321 1.00 0.00 H new ATOM 24 N GLY A 3 -16.147 0.425 18.970 1.00 0.00 N ATOM 25 CA GLY A 3 -17.517 0.764 18.600 1.00 0.00 C ATOM 26 C GLY A 3 -17.747 0.528 17.111 1.00 0.00 C ATOM 27 O GLY A 3 -17.410 -0.534 16.584 1.00 0.00 O ATOM 0 H GLY A 3 -16.066 -0.294 19.689 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.216 0.162 19.181 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.717 1.808 18.843 1.00 0.00 H new ATOM 31 N ASN A 4 -18.321 1.520 16.438 1.00 0.00 N ATOM 32 CA ASN A 4 -18.585 1.405 15.009 1.00 0.00 C ATOM 33 C ASN A 4 -19.330 0.113 14.713 1.00 0.00 C ATOM 34 O ASN A 4 -18.977 -0.622 13.791 1.00 0.00 O ATOM 35 CB ASN A 4 -17.275 1.438 14.222 1.00 0.00 C ATOM 36 CG ASN A 4 -16.656 2.830 14.306 1.00 0.00 C ATOM 37 OD1 ASN A 4 -17.352 3.799 14.607 1.00 0.00 O ATOM 38 ND2 ASN A 4 -15.388 2.988 14.050 1.00 0.00 N ATOM 0 H ASN A 4 -18.610 2.405 16.855 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.203 2.250 14.704 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -16.582 0.697 14.621 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -17.459 1.174 13.181 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.970 3.917 14.099 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.814 2.183 13.801 1.00 0.00 H new ATOM 45 N ASP A 5 -20.357 -0.169 15.503 1.00 0.00 N ATOM 46 CA ASP A 5 -21.127 -1.389 15.314 1.00 0.00 C ATOM 47 C ASP A 5 -21.831 -1.385 13.952 1.00 0.00 C ATOM 48 O ASP A 5 -22.228 -0.330 13.459 1.00 0.00 O ATOM 49 CB ASP A 5 -22.170 -1.530 16.425 1.00 0.00 C ATOM 50 CG ASP A 5 -21.483 -1.845 17.751 1.00 0.00 C ATOM 51 OD1 ASP A 5 -20.325 -2.228 17.717 1.00 0.00 O ATOM 52 OD2 ASP A 5 -22.124 -1.697 18.777 1.00 0.00 O ATOM 0 H ASP A 5 -20.673 0.423 16.272 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.438 -2.233 15.351 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.745 -0.608 16.514 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.875 -2.322 16.174 1.00 0.00 H new ATOM 57 N PRO A 6 -21.997 -2.538 13.344 1.00 0.00 N ATOM 58 CA PRO A 6 -22.676 -2.660 12.017 1.00 0.00 C ATOM 59 C PRO A 6 -24.176 -2.377 12.113 1.00 0.00 C ATOM 60 O PRO A 6 -24.781 -2.503 13.179 1.00 0.00 O ATOM 61 CB PRO A 6 -22.400 -4.115 11.604 1.00 0.00 C ATOM 62 CG PRO A 6 -22.205 -4.849 12.890 1.00 0.00 C ATOM 63 CD PRO A 6 -21.551 -3.853 13.846 1.00 0.00 C ATOM 0 HA PRO A 6 -22.306 -1.936 11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.233 -4.529 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.515 -4.185 10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.157 -5.203 13.286 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.573 -5.726 12.747 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -21.870 -4.018 14.875 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.465 -3.939 13.832 1.00 0.00 H new ATOM 71 N ILE A 7 -24.766 -1.984 10.992 1.00 0.00 N ATOM 72 CA ILE A 7 -26.189 -1.679 10.957 1.00 0.00 C ATOM 73 C ILE A 7 -26.995 -2.957 11.169 1.00 0.00 C ATOM 74 O ILE A 7 -28.203 -2.911 11.397 1.00 0.00 O ATOM 75 CB ILE A 7 -26.550 -1.053 9.600 1.00 0.00 C ATOM 76 CG1 ILE A 7 -26.141 0.421 9.589 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.066 -1.148 9.358 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.613 0.537 9.676 1.00 0.00 C ATOM 0 H ILE A 7 -24.284 -1.870 10.100 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.426 -0.972 11.752 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.021 -1.594 8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.500 0.901 8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.603 0.942 10.427 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.309 -0.701 8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.370 -2.195 9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.595 -0.615 10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.327 1.589 9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.265 0.073 10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.161 0.031 8.823 1.00 0.00 H new ATOM 90 N SER A 8 -26.321 -4.095 11.090 1.00 0.00 N ATOM 91 CA SER A 8 -27.000 -5.365 11.268 1.00 0.00 C ATOM 92 C SER A 8 -27.647 -5.410 12.642 1.00 0.00 C ATOM 93 O SER A 8 -28.610 -6.145 12.856 1.00 0.00 O ATOM 94 CB SER A 8 -25.997 -6.510 11.130 1.00 0.00 C ATOM 95 OG SER A 8 -25.013 -6.396 12.149 1.00 0.00 O ATOM 0 H SER A 8 -25.320 -4.163 10.907 1.00 0.00 H new ATOM 0 HA SER A 8 -27.771 -5.471 10.505 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.509 -7.469 11.208 1.00 0.00 H new ATOM 0 HB3 SER A 8 -25.525 -6.480 10.148 1.00 0.00 H new ATOM 0 HG SER A 8 -24.571 -7.262 12.276 1.00 0.00 H new ATOM 101 N GLN A 9 -27.126 -4.616 13.567 1.00 0.00 N ATOM 102 CA GLN A 9 -27.687 -4.582 14.909 1.00 0.00 C ATOM 103 C GLN A 9 -29.120 -4.049 14.895 1.00 0.00 C ATOM 104 O GLN A 9 -30.040 -4.709 15.375 1.00 0.00 O ATOM 105 CB GLN A 9 -26.821 -3.685 15.794 1.00 0.00 C ATOM 106 CG GLN A 9 -27.371 -3.673 17.229 1.00 0.00 C ATOM 107 CD GLN A 9 -26.493 -2.804 18.124 1.00 0.00 C ATOM 108 OE1 GLN A 9 -26.291 -1.624 17.839 1.00 0.00 O ATOM 109 NE2 GLN A 9 -25.959 -3.322 19.196 1.00 0.00 N ATOM 0 H GLN A 9 -26.329 -3.997 13.417 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.703 -5.598 15.302 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -25.792 -4.044 15.793 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -26.805 -2.671 15.393 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -28.393 -3.293 17.231 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -27.408 -4.690 17.620 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -26.129 -4.300 19.429 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -25.372 -2.748 19.801 1.00 0.00 H new ATOM 118 N LEU A 10 -29.302 -2.854 14.338 1.00 0.00 N ATOM 119 CA LEU A 10 -30.634 -2.255 14.266 1.00 0.00 C ATOM 120 C LEU A 10 -31.557 -3.084 13.386 1.00 0.00 C ATOM 121 O LEU A 10 -32.699 -3.379 13.750 1.00 0.00 O ATOM 122 CB LEU A 10 -30.541 -0.822 13.726 1.00 0.00 C ATOM 123 CG LEU A 10 -31.950 -0.223 13.564 1.00 0.00 C ATOM 124 CD1 LEU A 10 -32.681 -0.221 14.913 1.00 0.00 C ATOM 125 CD2 LEU A 10 -31.824 1.215 13.048 1.00 0.00 C ATOM 0 H LEU A 10 -28.556 -2.287 13.935 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.051 -2.231 15.273 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -29.952 -0.207 14.406 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -30.024 -0.820 12.766 1.00 0.00 H new ATOM 0 HG LEU A 10 -32.520 -0.825 12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -33.676 0.205 14.787 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -32.768 -1.243 15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -32.119 0.377 15.630 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -32.818 1.648 12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -31.252 1.809 13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -31.313 1.213 12.085 1.00 0.00 H new ATOM 137 N GLN A 11 -31.053 -3.447 12.215 1.00 0.00 N ATOM 138 CA GLN A 11 -31.840 -4.223 11.271 1.00 0.00 C ATOM 139 C GLN A 11 -32.276 -5.536 11.901 1.00 0.00 C ATOM 140 O GLN A 11 -33.268 -6.126 11.488 1.00 0.00 O ATOM 141 CB GLN A 11 -31.028 -4.500 10.004 1.00 0.00 C ATOM 142 CG GLN A 11 -30.870 -3.209 9.196 1.00 0.00 C ATOM 143 CD GLN A 11 -32.221 -2.757 8.652 1.00 0.00 C ATOM 144 OE1 GLN A 11 -32.954 -3.555 8.068 1.00 0.00 O ATOM 145 NE2 GLN A 11 -32.594 -1.517 8.812 1.00 0.00 N ATOM 0 H GLN A 11 -30.111 -3.218 11.899 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.726 -3.647 11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -30.048 -4.896 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -31.526 -5.259 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -30.444 -2.428 9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -30.174 -3.370 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -31.983 -0.859 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -33.496 -1.205 8.453 1.00 0.00 H new ATOM 154 N GLN A 12 -31.536 -5.993 12.898 1.00 0.00 N ATOM 155 CA GLN A 12 -31.880 -7.248 13.550 1.00 0.00 C ATOM 156 C GLN A 12 -33.312 -7.192 14.077 1.00 0.00 C ATOM 157 O GLN A 12 -34.092 -8.121 13.871 1.00 0.00 O ATOM 158 CB GLN A 12 -30.920 -7.493 14.717 1.00 0.00 C ATOM 159 CG GLN A 12 -31.106 -8.908 15.271 1.00 0.00 C ATOM 160 CD GLN A 12 -32.361 -8.971 16.132 1.00 0.00 C ATOM 161 OE1 GLN A 12 -32.744 -7.974 16.745 1.00 0.00 O ATOM 162 NE2 GLN A 12 -33.026 -10.088 16.216 1.00 0.00 N ATOM 0 H GLN A 12 -30.709 -5.525 13.269 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.798 -8.059 12.826 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.891 -7.358 14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -31.099 -6.761 15.504 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -31.182 -9.621 14.450 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -30.235 -9.193 15.862 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -32.706 -10.912 15.707 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -33.867 -10.139 16.791 1.00 0.00 H new ATOM 171 N CYS A 13 -33.662 -6.092 14.737 1.00 0.00 N ATOM 172 CA CYS A 13 -35.014 -5.931 15.253 1.00 0.00 C ATOM 173 C CYS A 13 -36.016 -5.853 14.106 1.00 0.00 C ATOM 174 O CYS A 13 -37.092 -6.451 14.159 1.00 0.00 O ATOM 175 CB CYS A 13 -35.105 -4.671 16.113 1.00 0.00 C ATOM 176 SG CYS A 13 -34.180 -4.926 17.648 1.00 0.00 S ATOM 0 H CYS A 13 -33.036 -5.309 14.925 1.00 0.00 H new ATOM 0 HA CYS A 13 -35.254 -6.798 15.869 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.702 -3.816 15.570 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -36.147 -4.444 16.337 1.00 0.00 H new ATOM 0 HG CYS A 13 -33.524 -6.046 17.578 1.00 0.00 H new ATOM 182 N CYS A 14 -35.649 -5.107 13.068 1.00 0.00 N ATOM 183 CA CYS A 14 -36.517 -4.954 11.902 1.00 0.00 C ATOM 184 C CYS A 14 -36.764 -6.303 11.230 1.00 0.00 C ATOM 185 O CYS A 14 -37.885 -6.615 10.830 1.00 0.00 O ATOM 186 CB CYS A 14 -35.897 -3.980 10.900 1.00 0.00 C ATOM 187 SG CYS A 14 -37.021 -3.759 9.497 1.00 0.00 S ATOM 0 H CYS A 14 -34.765 -4.602 13.009 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.472 -4.554 12.242 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.705 -3.021 11.380 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -34.936 -4.361 10.553 1.00 0.00 H new ATOM 0 HG CYS A 14 -36.495 -2.929 8.646 1.00 0.00 H new ATOM 193 N LEU A 15 -35.702 -7.093 11.107 1.00 0.00 N ATOM 194 CA LEU A 15 -35.801 -8.404 10.476 1.00 0.00 C ATOM 195 C LEU A 15 -36.769 -9.296 11.244 1.00 0.00 C ATOM 196 O LEU A 15 -37.565 -10.020 10.645 1.00 0.00 O ATOM 197 CB LEU A 15 -34.415 -9.057 10.430 1.00 0.00 C ATOM 198 CG LEU A 15 -33.528 -8.336 9.406 1.00 0.00 C ATOM 199 CD1 LEU A 15 -32.076 -8.781 9.604 1.00 0.00 C ATOM 200 CD2 LEU A 15 -33.979 -8.669 7.972 1.00 0.00 C ATOM 0 H LEU A 15 -34.767 -6.850 11.434 1.00 0.00 H new ATOM 0 HA LEU A 15 -36.178 -8.278 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -33.952 -9.017 11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -34.509 -10.110 10.164 1.00 0.00 H new ATOM 0 HG LEU A 15 -33.613 -7.260 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -31.438 -8.274 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -31.752 -8.528 10.614 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.003 -9.859 9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -33.339 -8.149 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -33.906 -9.744 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -35.012 -8.350 7.832 1.00 0.00 H new ATOM 212 N THR A 16 -36.712 -9.234 12.563 1.00 0.00 N ATOM 213 CA THR A 16 -37.605 -10.040 13.378 1.00 0.00 C ATOM 214 C THR A 16 -39.026 -9.497 13.323 1.00 0.00 C ATOM 215 O THR A 16 -39.991 -10.257 13.413 1.00 0.00 O ATOM 216 CB THR A 16 -37.114 -10.054 14.825 1.00 0.00 C ATOM 217 OG1 THR A 16 -36.984 -8.718 15.296 1.00 0.00 O ATOM 218 CG2 THR A 16 -35.762 -10.763 14.895 1.00 0.00 C ATOM 0 H THR A 16 -36.067 -8.643 13.087 1.00 0.00 H new ATOM 0 HA THR A 16 -37.608 -11.056 12.984 1.00 0.00 H new ATOM 0 HB THR A 16 -37.832 -10.585 15.450 1.00 0.00 H new ATOM 0 HG1 THR A 16 -37.103 -8.095 14.549 1.00 0.00 H new ATOM 0 HG21 THR A 16 -35.410 -10.774 15.927 1.00 0.00 H new ATOM 0 HG22 THR A 16 -35.869 -11.787 14.537 1.00 0.00 H new ATOM 0 HG23 THR A 16 -35.041 -10.234 14.271 1.00 0.00 H new ATOM 226 N LEU A 17 -39.143 -8.181 13.169 1.00 0.00 N ATOM 227 CA LEU A 17 -40.452 -7.526 13.097 1.00 0.00 C ATOM 228 C LEU A 17 -41.475 -8.226 14.000 1.00 0.00 C ATOM 229 O LEU A 17 -42.381 -8.907 13.522 1.00 0.00 O ATOM 230 CB LEU A 17 -40.946 -7.504 11.639 1.00 0.00 C ATOM 231 CG LEU A 17 -41.791 -6.250 11.385 1.00 0.00 C ATOM 232 CD1 LEU A 17 -42.261 -6.238 9.931 1.00 0.00 C ATOM 233 CD2 LEU A 17 -43.006 -6.255 12.316 1.00 0.00 C ATOM 0 H LEU A 17 -38.350 -7.545 13.091 1.00 0.00 H new ATOM 0 HA LEU A 17 -40.343 -6.502 13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -40.095 -7.522 10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -41.536 -8.397 11.434 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.190 -5.362 11.579 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -42.862 -5.347 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -41.395 -6.233 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -42.862 -7.126 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -43.607 -5.363 12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -43.608 -7.143 12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -42.670 -6.262 13.353 1.00 0.00 H new ATOM 245 N ARG A 18 -41.314 -8.068 15.307 1.00 0.00 N ATOM 246 CA ARG A 18 -42.229 -8.704 16.243 1.00 0.00 C ATOM 247 C ARG A 18 -43.598 -8.033 16.181 1.00 0.00 C ATOM 248 O ARG A 18 -43.726 -6.841 16.455 1.00 0.00 O ATOM 249 CB ARG A 18 -41.668 -8.600 17.659 1.00 0.00 C ATOM 250 CG ARG A 18 -40.308 -9.298 17.716 1.00 0.00 C ATOM 251 CD ARG A 18 -39.734 -9.186 19.127 1.00 0.00 C ATOM 252 NE ARG A 18 -40.519 -9.993 20.054 1.00 0.00 N ATOM 253 CZ ARG A 18 -40.236 -10.020 21.352 1.00 0.00 C ATOM 254 NH1 ARG A 18 -40.952 -10.751 22.161 1.00 0.00 N ATOM 255 NH2 ARG A 18 -39.241 -9.316 21.817 1.00 0.00 N ATOM 0 H ARG A 18 -40.572 -7.515 15.737 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.339 -9.754 15.972 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.565 -7.553 17.946 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -42.355 -9.059 18.370 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -40.414 -10.347 17.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.625 -8.845 16.997 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -38.696 -9.518 19.133 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -39.737 -8.144 19.447 1.00 0.00 H new ATOM 0 HE ARG A 18 -41.299 -10.546 19.700 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -41.729 -11.302 21.797 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -40.734 -10.771 23.157 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -38.681 -8.745 21.184 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -39.023 -9.336 22.813 1.00 0.00 H new ATOM 269 N THR A 19 -44.623 -8.811 15.824 1.00 0.00 N ATOM 270 CA THR A 19 -45.987 -8.284 15.736 1.00 0.00 C ATOM 271 C THR A 19 -46.994 -9.285 16.301 1.00 0.00 C ATOM 272 O THR A 19 -47.106 -10.422 15.833 1.00 0.00 O ATOM 273 CB THR A 19 -46.328 -7.975 14.277 1.00 0.00 C ATOM 274 OG1 THR A 19 -45.416 -7.009 13.773 1.00 0.00 O ATOM 275 CG2 THR A 19 -47.754 -7.427 14.190 1.00 0.00 C ATOM 0 H THR A 19 -44.536 -9.801 15.593 1.00 0.00 H new ATOM 0 HA THR A 19 -46.042 -7.369 16.326 1.00 0.00 H new ATOM 0 HB THR A 19 -46.255 -8.887 13.685 1.00 0.00 H new ATOM 0 HG1 THR A 19 -45.632 -6.811 12.838 1.00 0.00 H new ATOM 0 HG21 THR A 19 -47.996 -7.207 13.150 1.00 0.00 H new ATOM 0 HG22 THR A 19 -48.453 -8.169 14.576 1.00 0.00 H new ATOM 0 HG23 THR A 19 -47.830 -6.514 14.781 1.00 0.00 H new ATOM 283 N GLU A 20 -47.742 -8.851 17.308 1.00 0.00 N ATOM 284 CA GLU A 20 -48.740 -9.713 17.921 1.00 0.00 C ATOM 285 C GLU A 20 -49.892 -9.960 16.956 1.00 0.00 C ATOM 286 O GLU A 20 -50.290 -9.069 16.208 1.00 0.00 O ATOM 287 CB GLU A 20 -49.274 -9.073 19.205 1.00 0.00 C ATOM 288 CG GLU A 20 -48.155 -9.010 20.246 1.00 0.00 C ATOM 289 CD GLU A 20 -48.676 -8.376 21.530 1.00 0.00 C ATOM 290 OE1 GLU A 20 -49.806 -7.915 21.524 1.00 0.00 O ATOM 291 OE2 GLU A 20 -47.942 -8.365 22.504 1.00 0.00 O ATOM 0 H GLU A 20 -47.677 -7.917 17.713 1.00 0.00 H new ATOM 0 HA GLU A 20 -48.270 -10.666 18.164 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -49.648 -8.071 18.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -50.113 -9.652 19.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -47.781 -10.013 20.451 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -47.318 -8.430 19.858 1.00 0.00 H new ATOM 298 N GLY A 21 -50.423 -11.178 16.977 1.00 0.00 N ATOM 299 CA GLY A 21 -51.528 -11.533 16.096 1.00 0.00 C ATOM 300 C GLY A 21 -51.021 -11.957 14.724 1.00 0.00 C ATOM 301 O GLY A 21 -51.811 -12.254 13.828 1.00 0.00 O ATOM 0 H GLY A 21 -50.109 -11.930 17.590 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -52.105 -12.344 16.540 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -52.201 -10.682 15.991 1.00 0.00 H new ATOM 305 N LYS A 22 -49.696 -11.988 14.556 1.00 0.00 N ATOM 306 CA LYS A 22 -49.112 -12.384 13.278 1.00 0.00 C ATOM 307 C LYS A 22 -47.861 -13.213 13.512 1.00 0.00 C ATOM 308 O LYS A 22 -46.957 -12.805 14.239 1.00 0.00 O ATOM 309 CB LYS A 22 -48.765 -11.139 12.470 1.00 0.00 C ATOM 310 CG LYS A 22 -48.421 -11.550 11.036 1.00 0.00 C ATOM 311 CD LYS A 22 -47.946 -10.333 10.234 1.00 0.00 C ATOM 312 CE LYS A 22 -49.137 -9.451 9.843 1.00 0.00 C ATOM 313 NZ LYS A 22 -50.117 -10.264 9.070 1.00 0.00 N ATOM 0 H LYS A 22 -49.018 -11.747 15.279 1.00 0.00 H new ATOM 0 HA LYS A 22 -49.834 -12.985 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -49.605 -10.445 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -47.922 -10.619 12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -47.643 -12.314 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -49.295 -11.991 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -47.236 -9.755 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -47.420 -10.663 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -49.610 -9.042 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -48.797 -8.605 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -50.646 -9.646 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -49.611 -10.989 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -50.780 -10.725 9.726 1.00 0.00 H new ATOM 327 N GLU A 23 -47.817 -14.389 12.901 1.00 0.00 N ATOM 328 CA GLU A 23 -46.674 -15.273 13.076 1.00 0.00 C ATOM 329 C GLU A 23 -45.424 -14.691 12.393 1.00 0.00 C ATOM 330 O GLU A 23 -45.429 -14.483 11.180 1.00 0.00 O ATOM 331 CB GLU A 23 -46.983 -16.654 12.488 1.00 0.00 C ATOM 332 CG GLU A 23 -45.807 -17.597 12.750 1.00 0.00 C ATOM 333 CD GLU A 23 -46.138 -18.995 12.242 1.00 0.00 C ATOM 334 OE1 GLU A 23 -47.251 -19.187 11.784 1.00 0.00 O ATOM 335 OE2 GLU A 23 -45.273 -19.853 12.318 1.00 0.00 O ATOM 0 H GLU A 23 -48.549 -14.749 12.288 1.00 0.00 H new ATOM 0 HA GLU A 23 -46.477 -15.368 14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -47.892 -17.056 12.936 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -47.165 -16.572 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -44.912 -17.223 12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -45.588 -17.631 13.817 1.00 0.00 H new ATOM 342 N PRO A 24 -44.353 -14.438 13.126 1.00 0.00 N ATOM 343 CA PRO A 24 -43.098 -13.885 12.535 1.00 0.00 C ATOM 344 C PRO A 24 -42.328 -14.936 11.730 1.00 0.00 C ATOM 345 O PRO A 24 -42.286 -16.109 12.100 1.00 0.00 O ATOM 346 CB PRO A 24 -42.305 -13.399 13.757 1.00 0.00 C ATOM 347 CG PRO A 24 -42.782 -14.239 14.903 1.00 0.00 C ATOM 348 CD PRO A 24 -44.227 -14.646 14.580 1.00 0.00 C ATOM 0 HA PRO A 24 -43.291 -13.087 11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -41.233 -13.519 13.602 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -42.484 -12.340 13.945 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -42.151 -15.119 15.027 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -42.737 -13.680 15.838 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -44.417 -15.685 14.850 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -44.944 -14.037 15.132 1.00 0.00 H new ATOM 356 N ASP A 25 -41.718 -14.498 10.633 1.00 0.00 N ATOM 357 CA ASP A 25 -40.940 -15.398 9.784 1.00 0.00 C ATOM 358 C ASP A 25 -39.537 -15.565 10.349 1.00 0.00 C ATOM 359 O ASP A 25 -39.188 -14.933 11.345 1.00 0.00 O ATOM 360 CB ASP A 25 -40.851 -14.837 8.364 1.00 0.00 C ATOM 361 CG ASP A 25 -42.251 -14.699 7.780 1.00 0.00 C ATOM 362 OD1 ASP A 25 -43.021 -15.633 7.921 1.00 0.00 O ATOM 363 OD2 ASP A 25 -42.529 -13.665 7.198 1.00 0.00 O ATOM 0 H ASP A 25 -41.746 -13.531 10.311 1.00 0.00 H new ATOM 0 HA ASP A 25 -41.437 -16.367 9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -40.354 -13.867 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.249 -15.496 7.739 1.00 0.00 H new ATOM 368 N ILE A 26 -38.728 -16.414 9.709 1.00 0.00 N ATOM 369 CA ILE A 26 -37.359 -16.637 10.168 1.00 0.00 C ATOM 370 C ILE A 26 -36.371 -16.173 9.097 1.00 0.00 C ATOM 371 O ILE A 26 -35.941 -16.960 8.252 1.00 0.00 O ATOM 372 CB ILE A 26 -37.150 -18.131 10.432 1.00 0.00 C ATOM 373 CG1 ILE A 26 -38.259 -18.638 11.366 1.00 0.00 C ATOM 374 CG2 ILE A 26 -35.782 -18.358 11.084 1.00 0.00 C ATOM 375 CD1 ILE A 26 -38.288 -17.826 12.672 1.00 0.00 C ATOM 0 H ILE A 26 -38.994 -16.950 8.883 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.191 -16.072 11.085 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.188 -18.676 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -39.224 -18.564 10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -38.097 -19.692 11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -35.639 -19.423 11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -34.998 -17.997 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -35.735 -17.816 12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -39.081 -18.203 13.317 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -37.329 -17.922 13.181 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -38.474 -16.777 12.444 1.00 0.00 H new ATOM 387 N PRO A 27 -35.984 -14.917 9.138 1.00 0.00 N ATOM 388 CA PRO A 27 -35.006 -14.342 8.172 1.00 0.00 C ATOM 389 C PRO A 27 -33.569 -14.654 8.569 1.00 0.00 C ATOM 390 O PRO A 27 -33.168 -14.433 9.710 1.00 0.00 O ATOM 391 CB PRO A 27 -35.292 -12.838 8.230 1.00 0.00 C ATOM 392 CG PRO A 27 -35.855 -12.587 9.597 1.00 0.00 C ATOM 393 CD PRO A 27 -36.459 -13.910 10.096 1.00 0.00 C ATOM 0 HA PRO A 27 -35.112 -14.756 7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -34.382 -12.260 8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -35.999 -12.543 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -35.075 -12.241 10.276 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -36.616 -11.807 9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -36.129 -14.140 11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -37.548 -13.866 10.118 1.00 0.00 H new ATOM 401 N LEU A 28 -32.792 -15.157 7.615 1.00 0.00 N ATOM 402 CA LEU A 28 -31.395 -15.478 7.879 1.00 0.00 C ATOM 403 C LEU A 28 -30.524 -15.094 6.683 1.00 0.00 C ATOM 404 O LEU A 28 -30.935 -15.245 5.533 1.00 0.00 O ATOM 405 CB LEU A 28 -31.245 -16.969 8.176 1.00 0.00 C ATOM 406 CG LEU A 28 -29.859 -17.229 8.778 1.00 0.00 C ATOM 407 CD1 LEU A 28 -29.734 -16.571 10.174 1.00 0.00 C ATOM 408 CD2 LEU A 28 -29.639 -18.745 8.889 1.00 0.00 C ATOM 0 H LEU A 28 -33.102 -15.349 6.662 1.00 0.00 H new ATOM 0 HA LEU A 28 -31.067 -14.908 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -32.022 -17.293 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -31.371 -17.548 7.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -29.100 -16.791 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -28.743 -16.769 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -29.881 -15.495 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -30.490 -16.986 10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -28.655 -18.940 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -30.406 -19.178 9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -29.700 -19.195 7.898 1.00 0.00 H new ATOM 420 N TYR A 29 -29.321 -14.595 6.960 1.00 0.00 N ATOM 421 CA TYR A 29 -28.405 -14.199 5.893 1.00 0.00 C ATOM 422 C TYR A 29 -27.508 -15.371 5.503 1.00 0.00 C ATOM 423 O TYR A 29 -26.977 -16.073 6.363 1.00 0.00 O ATOM 424 CB TYR A 29 -27.540 -13.027 6.358 1.00 0.00 C ATOM 425 CG TYR A 29 -26.642 -13.473 7.485 1.00 0.00 C ATOM 426 CD1 TYR A 29 -25.363 -13.969 7.205 1.00 0.00 C ATOM 427 CD2 TYR A 29 -27.085 -13.391 8.810 1.00 0.00 C ATOM 428 CE1 TYR A 29 -24.528 -14.383 8.250 1.00 0.00 C ATOM 429 CE2 TYR A 29 -26.251 -13.805 9.855 1.00 0.00 C ATOM 430 CZ TYR A 29 -24.971 -14.300 9.576 1.00 0.00 C ATOM 431 OH TYR A 29 -24.148 -14.707 10.605 1.00 0.00 O ATOM 0 H TYR A 29 -28.961 -14.456 7.904 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.991 -13.896 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -26.940 -12.654 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -28.173 -12.204 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -25.020 -14.032 6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -28.071 -13.008 9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -23.542 -14.766 8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -26.595 -13.743 10.877 1.00 0.00 H new ATOM 0 HH TYR A 29 -24.608 -14.582 11.461 1.00 0.00 H new ATOM 441 N LYS A 30 -27.349 -15.578 4.197 1.00 0.00 N ATOM 442 CA LYS A 30 -26.523 -16.672 3.687 1.00 0.00 C ATOM 443 C LYS A 30 -25.834 -16.271 2.388 1.00 0.00 C ATOM 444 O LYS A 30 -26.410 -15.568 1.557 1.00 0.00 O ATOM 445 CB LYS A 30 -27.388 -17.912 3.448 1.00 0.00 C ATOM 446 CG LYS A 30 -26.509 -19.071 2.968 1.00 0.00 C ATOM 447 CD LYS A 30 -27.359 -20.333 2.832 1.00 0.00 C ATOM 448 CE LYS A 30 -26.478 -21.491 2.363 1.00 0.00 C ATOM 449 NZ LYS A 30 -25.967 -21.206 0.993 1.00 0.00 N ATOM 0 H LYS A 30 -27.781 -15.003 3.473 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.759 -16.899 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -27.903 -18.190 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.156 -17.694 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -26.052 -18.822 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.696 -19.242 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.822 -20.578 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.167 -20.165 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.644 -21.629 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.049 -22.419 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.650 -22.092 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.726 -20.784 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.168 -20.543 1.051 1.00 0.00 H new ATOM 463 N THR A 31 -24.595 -16.725 2.220 1.00 0.00 N ATOM 464 CA THR A 31 -23.836 -16.411 1.017 1.00 0.00 C ATOM 465 C THR A 31 -24.374 -17.197 -0.173 1.00 0.00 C ATOM 466 O THR A 31 -24.885 -18.304 -0.017 1.00 0.00 O ATOM 467 CB THR A 31 -22.361 -16.762 1.233 1.00 0.00 C ATOM 468 OG1 THR A 31 -22.249 -18.147 1.531 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.795 -15.938 2.392 1.00 0.00 C ATOM 0 H THR A 31 -24.100 -17.306 2.896 1.00 0.00 H new ATOM 0 HA THR A 31 -23.935 -15.345 0.810 1.00 0.00 H new ATOM 0 HB THR A 31 -21.797 -16.535 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 31 -21.306 -18.377 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.746 -16.192 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.882 -14.876 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.354 -16.158 3.302 1.00 0.00 H new ATOM 477 N LEU A 32 -24.254 -16.615 -1.367 1.00 0.00 N ATOM 478 CA LEU A 32 -24.730 -17.268 -2.587 1.00 0.00 C ATOM 479 C LEU A 32 -23.557 -17.818 -3.392 1.00 0.00 C ATOM 480 O LEU A 32 -23.490 -19.013 -3.677 1.00 0.00 O ATOM 481 CB LEU A 32 -25.513 -16.263 -3.437 1.00 0.00 C ATOM 482 CG LEU A 32 -26.699 -15.711 -2.630 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.421 -14.637 -3.455 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.679 -16.850 -2.283 1.00 0.00 C ATOM 0 H LEU A 32 -23.834 -15.698 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.381 -18.097 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -24.860 -15.447 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.873 -16.744 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 32 -26.329 -15.271 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.263 -14.244 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.728 -13.827 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -27.786 -15.076 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.516 -16.449 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -28.051 -17.302 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -27.164 -17.605 -1.690 1.00 0.00 H new ATOM 496 N GLN A 33 -22.642 -16.933 -3.766 1.00 0.00 N ATOM 497 CA GLN A 33 -21.479 -17.331 -4.545 1.00 0.00 C ATOM 498 C GLN A 33 -20.393 -16.263 -4.471 1.00 0.00 C ATOM 499 O GLN A 33 -20.647 -15.133 -4.053 1.00 0.00 O ATOM 500 CB GLN A 33 -21.882 -17.564 -6.002 1.00 0.00 C ATOM 501 CG GLN A 33 -22.444 -16.269 -6.590 1.00 0.00 C ATOM 502 CD GLN A 33 -23.030 -16.537 -7.972 1.00 0.00 C ATOM 503 OE1 GLN A 33 -23.990 -17.296 -8.103 1.00 0.00 O ATOM 504 NE2 GLN A 33 -22.508 -15.956 -9.017 1.00 0.00 N ATOM 0 H GLN A 33 -22.683 -15.939 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.084 -18.258 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.019 -17.894 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.628 -18.357 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.213 -15.864 -5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.656 -15.519 -6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.712 -15.327 -8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.895 -16.130 -9.944 1.00 0.00 H new ATOM 513 N THR A 34 -19.177 -16.630 -4.877 1.00 0.00 N ATOM 514 CA THR A 34 -18.060 -15.691 -4.855 1.00 0.00 C ATOM 515 C THR A 34 -17.972 -14.950 -6.184 1.00 0.00 C ATOM 516 O THR A 34 -18.295 -15.501 -7.236 1.00 0.00 O ATOM 517 CB THR A 34 -16.752 -16.444 -4.605 1.00 0.00 C ATOM 518 OG1 THR A 34 -16.572 -17.426 -5.616 1.00 0.00 O ATOM 519 CG2 THR A 34 -16.801 -17.117 -3.234 1.00 0.00 C ATOM 0 H THR A 34 -18.944 -17.561 -5.221 1.00 0.00 H new ATOM 0 HA THR A 34 -18.223 -14.971 -4.053 1.00 0.00 H new ATOM 0 HB THR A 34 -15.918 -15.743 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.318 -18.278 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.868 -17.653 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.936 -16.360 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.634 -17.819 -3.203 1.00 0.00 H new ATOM 527 N VAL A 35 -17.541 -13.689 -6.128 1.00 0.00 N ATOM 528 CA VAL A 35 -17.422 -12.864 -7.328 1.00 0.00 C ATOM 529 C VAL A 35 -16.202 -11.953 -7.239 1.00 0.00 C ATOM 530 O VAL A 35 -15.660 -11.730 -6.156 1.00 0.00 O ATOM 531 CB VAL A 35 -18.682 -12.013 -7.503 1.00 0.00 C ATOM 532 CG1 VAL A 35 -18.811 -11.039 -6.328 1.00 0.00 C ATOM 533 CG2 VAL A 35 -18.592 -11.223 -8.813 1.00 0.00 C ATOM 0 H VAL A 35 -17.269 -13.218 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.304 -13.525 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.555 -12.665 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -19.709 -10.434 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.880 -11.600 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.937 -10.389 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.490 -10.618 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.717 -10.573 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.504 -11.915 -9.650 1.00 0.00 H new ATOM 543 N GLY A 36 -15.774 -11.424 -8.382 1.00 0.00 N ATOM 544 CA GLY A 36 -14.619 -10.537 -8.406 1.00 0.00 C ATOM 545 C GLY A 36 -13.327 -11.326 -8.210 1.00 0.00 C ATOM 546 O GLY A 36 -12.599 -11.104 -7.244 1.00 0.00 O ATOM 0 H GLY A 36 -16.204 -11.592 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.584 -10.003 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.715 -9.786 -7.622 1.00 0.00 H new ATOM 550 N PRO A 37 -13.038 -12.247 -9.097 1.00 0.00 N ATOM 551 CA PRO A 37 -11.805 -13.094 -9.009 1.00 0.00 C ATOM 552 C PRO A 37 -10.529 -12.254 -9.052 1.00 0.00 C ATOM 553 O PRO A 37 -9.480 -12.669 -8.557 1.00 0.00 O ATOM 554 CB PRO A 37 -11.911 -14.028 -10.232 1.00 0.00 C ATOM 555 CG PRO A 37 -12.854 -13.341 -11.171 1.00 0.00 C ATOM 556 CD PRO A 37 -13.842 -12.586 -10.286 1.00 0.00 C ATOM 0 HA PRO A 37 -11.744 -13.639 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.936 -14.182 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.287 -15.010 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.320 -12.658 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.369 -14.062 -11.806 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.225 -11.694 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.703 -13.202 -10.028 1.00 0.00 H new ATOM 564 N SER A 38 -10.626 -11.071 -9.646 1.00 0.00 N ATOM 565 CA SER A 38 -9.475 -10.184 -9.744 1.00 0.00 C ATOM 566 C SER A 38 -9.029 -9.735 -8.355 1.00 0.00 C ATOM 567 O SER A 38 -9.851 -9.531 -7.464 1.00 0.00 O ATOM 568 CB SER A 38 -9.829 -8.963 -10.588 1.00 0.00 C ATOM 569 OG SER A 38 -10.141 -9.382 -11.911 1.00 0.00 O ATOM 0 H SER A 38 -11.482 -10.706 -10.064 1.00 0.00 H new ATOM 0 HA SER A 38 -8.658 -10.727 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.678 -8.438 -10.151 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.994 -8.262 -10.603 1.00 0.00 H new ATOM 0 HG SER A 38 -10.371 -8.601 -12.456 1.00 0.00 H new ATOM 575 N HIS A 39 -7.721 -9.584 -8.181 1.00 0.00 N ATOM 576 CA HIS A 39 -7.177 -9.160 -6.897 1.00 0.00 C ATOM 577 C HIS A 39 -7.779 -9.988 -5.766 1.00 0.00 C ATOM 578 O HIS A 39 -7.701 -11.217 -5.775 1.00 0.00 O ATOM 579 CB HIS A 39 -7.476 -7.678 -6.667 1.00 0.00 C ATOM 580 CG HIS A 39 -6.956 -6.871 -7.823 1.00 0.00 C ATOM 581 ND1 HIS A 39 -7.737 -6.586 -8.931 1.00 0.00 N ATOM 582 CD2 HIS A 39 -5.740 -6.282 -8.061 1.00 0.00 C ATOM 583 CE1 HIS A 39 -6.991 -5.853 -9.777 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.764 -5.640 -9.295 1.00 0.00 N ATOM 0 H HIS A 39 -7.023 -9.747 -8.906 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.098 -9.312 -6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.550 -7.526 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.012 -7.343 -5.739 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.893 -6.312 -7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.341 -5.482 -10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.007 -5.119 -9.737 1.00 0.00 H new ATOM 592 N ALA A 40 -8.384 -9.310 -4.792 1.00 0.00 N ATOM 593 CA ALA A 40 -9.000 -9.992 -3.662 1.00 0.00 C ATOM 594 C ALA A 40 -10.408 -10.450 -4.024 1.00 0.00 C ATOM 595 O ALA A 40 -11.162 -9.721 -4.670 1.00 0.00 O ATOM 596 CB ALA A 40 -9.057 -9.054 -2.455 1.00 0.00 C ATOM 0 H ALA A 40 -8.459 -8.293 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.398 -10.865 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.519 -9.571 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.046 -8.749 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.646 -8.172 -2.707 1.00 0.00 H new ATOM 602 N ARG A 41 -10.758 -11.660 -3.603 1.00 0.00 N ATOM 603 CA ARG A 41 -12.080 -12.202 -3.889 1.00 0.00 C ATOM 604 C ARG A 41 -13.113 -11.593 -2.951 1.00 0.00 C ATOM 605 O ARG A 41 -12.784 -11.166 -1.842 1.00 0.00 O ATOM 606 CB ARG A 41 -12.077 -13.721 -3.726 1.00 0.00 C ATOM 607 CG ARG A 41 -11.063 -14.335 -4.693 1.00 0.00 C ATOM 608 CD ARG A 41 -11.254 -15.851 -4.734 1.00 0.00 C ATOM 609 NE ARG A 41 -12.499 -16.183 -5.420 1.00 0.00 N ATOM 610 CZ ARG A 41 -12.971 -17.426 -5.430 1.00 0.00 C ATOM 611 NH1 ARG A 41 -14.084 -17.696 -6.056 1.00 0.00 N ATOM 612 NH2 ARG A 41 -12.321 -18.377 -4.816 1.00 0.00 N ATOM 0 H ARG A 41 -10.150 -12.279 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.338 -11.953 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.824 -13.987 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.072 -14.121 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.193 -13.914 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.049 -14.094 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.412 -16.317 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.271 -16.250 -3.720 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.017 -15.447 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.591 -16.954 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.446 -18.649 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.450 -18.167 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.684 -19.330 -4.824 1.00 0.00 H new ATOM 626 N THR A 42 -14.366 -11.554 -3.400 1.00 0.00 N ATOM 627 CA THR A 42 -15.451 -10.992 -2.596 1.00 0.00 C ATOM 628 C THR A 42 -16.599 -11.990 -2.498 1.00 0.00 C ATOM 629 O THR A 42 -16.831 -12.781 -3.412 1.00 0.00 O ATOM 630 CB THR A 42 -15.954 -9.692 -3.230 1.00 0.00 C ATOM 631 OG1 THR A 42 -16.476 -9.969 -4.522 1.00 0.00 O ATOM 632 CG2 THR A 42 -14.796 -8.700 -3.348 1.00 0.00 C ATOM 0 H THR A 42 -14.655 -11.904 -4.314 1.00 0.00 H new ATOM 0 HA THR A 42 -15.073 -10.781 -1.596 1.00 0.00 H new ATOM 0 HB THR A 42 -16.737 -9.261 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.205 -10.869 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.154 -7.775 -3.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.395 -8.489 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.012 -9.129 -3.972 1.00 0.00 H new ATOM 640 N TYR A 43 -17.322 -11.944 -1.381 1.00 0.00 N ATOM 641 CA TYR A 43 -18.452 -12.845 -1.162 1.00 0.00 C ATOM 642 C TYR A 43 -19.763 -12.096 -1.348 1.00 0.00 C ATOM 643 O TYR A 43 -19.895 -10.942 -0.937 1.00 0.00 O ATOM 644 CB TYR A 43 -18.389 -13.426 0.252 1.00 0.00 C ATOM 645 CG TYR A 43 -17.180 -14.325 0.370 1.00 0.00 C ATOM 646 CD1 TYR A 43 -15.962 -13.807 0.826 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.279 -15.676 0.019 1.00 0.00 C ATOM 648 CE1 TYR A 43 -14.844 -14.642 0.934 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.160 -16.512 0.124 1.00 0.00 C ATOM 650 CZ TYR A 43 -14.941 -15.994 0.582 1.00 0.00 C ATOM 651 OH TYR A 43 -13.838 -16.816 0.686 1.00 0.00 O ATOM 0 H TYR A 43 -17.146 -11.294 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.399 -13.656 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.331 -12.622 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.297 -13.989 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.885 -12.764 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.219 -16.074 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.905 -14.243 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.237 -17.554 -0.148 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.078 -17.723 0.403 1.00 0.00 H new ATOM 661 N THR A 44 -20.734 -12.758 -1.977 1.00 0.00 N ATOM 662 CA THR A 44 -22.036 -12.144 -2.218 1.00 0.00 C ATOM 663 C THR A 44 -23.023 -12.560 -1.136 1.00 0.00 C ATOM 664 O THR A 44 -23.134 -13.738 -0.797 1.00 0.00 O ATOM 665 CB THR A 44 -22.568 -12.580 -3.585 1.00 0.00 C ATOM 666 OG1 THR A 44 -22.714 -13.993 -3.607 1.00 0.00 O ATOM 667 CG2 THR A 44 -21.585 -12.149 -4.676 1.00 0.00 C ATOM 0 H THR A 44 -20.643 -13.712 -2.326 1.00 0.00 H new ATOM 0 HA THR A 44 -21.921 -11.060 -2.199 1.00 0.00 H new ATOM 0 HB THR A 44 -23.536 -12.113 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.067 -14.379 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.963 -12.459 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 44 -21.474 -11.065 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 44 -20.616 -12.616 -4.498 1.00 0.00 H new ATOM 675 N VAL A 45 -23.740 -11.577 -0.593 1.00 0.00 N ATOM 676 CA VAL A 45 -24.724 -11.832 0.459 1.00 0.00 C ATOM 677 C VAL A 45 -26.039 -11.130 0.141 1.00 0.00 C ATOM 678 O VAL A 45 -26.057 -9.946 -0.198 1.00 0.00 O ATOM 679 CB VAL A 45 -24.191 -11.334 1.802 1.00 0.00 C ATOM 680 CG1 VAL A 45 -25.240 -11.580 2.888 1.00 0.00 C ATOM 681 CG2 VAL A 45 -22.910 -12.092 2.153 1.00 0.00 C ATOM 0 H VAL A 45 -23.658 -10.597 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 45 -24.901 -12.906 0.514 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.977 -10.267 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -24.861 -11.225 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -26.155 -11.043 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -25.452 -12.647 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -22.529 -11.738 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -23.125 -13.158 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.162 -11.921 1.379 1.00 0.00 H new ATOM 691 N ALA A 46 -27.143 -11.864 0.261 1.00 0.00 N ATOM 692 CA ALA A 46 -28.467 -11.302 -0.010 1.00 0.00 C ATOM 693 C ALA A 46 -29.450 -11.730 1.074 1.00 0.00 C ATOM 694 O ALA A 46 -29.705 -12.919 1.264 1.00 0.00 O ATOM 695 CB ALA A 46 -28.964 -11.790 -1.372 1.00 0.00 C ATOM 0 H ALA A 46 -27.149 -12.844 0.543 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.395 -10.214 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.950 -11.370 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.270 -11.470 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.027 -12.878 -1.368 1.00 0.00 H new ATOM 701 N VAL A 47 -29.998 -10.746 1.779 1.00 0.00 N ATOM 702 CA VAL A 47 -30.960 -11.009 2.845 1.00 0.00 C ATOM 703 C VAL A 47 -32.373 -11.059 2.276 1.00 0.00 C ATOM 704 O VAL A 47 -32.745 -10.219 1.455 1.00 0.00 O ATOM 705 CB VAL A 47 -30.873 -9.920 3.910 1.00 0.00 C ATOM 706 CG1 VAL A 47 -31.844 -10.247 5.045 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.447 -9.854 4.457 1.00 0.00 C ATOM 0 H VAL A 47 -29.793 -9.758 1.632 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.724 -11.972 3.298 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.135 -8.957 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -31.785 -9.471 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -32.860 -10.294 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -31.580 -11.209 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.385 -9.076 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.182 -10.815 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -28.756 -9.624 3.646 1.00 0.00 H new ATOM 717 N TYR A 48 -33.163 -12.040 2.715 1.00 0.00 N ATOM 718 CA TYR A 48 -34.537 -12.186 2.239 1.00 0.00 C ATOM 719 C TYR A 48 -35.512 -11.978 3.390 1.00 0.00 C ATOM 720 O TYR A 48 -35.218 -12.307 4.540 1.00 0.00 O ATOM 721 CB TYR A 48 -34.740 -13.585 1.642 1.00 0.00 C ATOM 722 CG TYR A 48 -34.701 -14.628 2.735 1.00 0.00 C ATOM 723 CD1 TYR A 48 -35.891 -15.028 3.359 1.00 0.00 C ATOM 724 CD2 TYR A 48 -33.483 -15.193 3.130 1.00 0.00 C ATOM 725 CE1 TYR A 48 -35.863 -15.996 4.370 1.00 0.00 C ATOM 726 CE2 TYR A 48 -33.454 -16.162 4.142 1.00 0.00 C ATOM 727 CZ TYR A 48 -34.644 -16.560 4.764 1.00 0.00 C ATOM 728 OH TYR A 48 -34.616 -17.512 5.761 1.00 0.00 O ATOM 0 H TYR A 48 -32.875 -12.742 3.397 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.723 -11.436 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -35.695 -13.631 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -33.964 -13.790 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -36.831 -14.589 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -32.565 -14.882 2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -36.781 -16.307 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -32.514 -16.602 4.442 1.00 0.00 H new ATOM 0 HH TYR A 48 -35.119 -17.188 6.537 1.00 0.00 H new ATOM 738 N PHE A 49 -36.682 -11.430 3.071 1.00 0.00 N ATOM 739 CA PHE A 49 -37.705 -11.178 4.078 1.00 0.00 C ATOM 740 C PHE A 49 -39.091 -11.405 3.489 1.00 0.00 C ATOM 741 O PHE A 49 -39.523 -10.683 2.590 1.00 0.00 O ATOM 742 CB PHE A 49 -37.589 -9.739 4.583 1.00 0.00 C ATOM 743 CG PHE A 49 -38.612 -9.504 5.671 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.406 -10.039 6.949 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.765 -8.751 5.407 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.350 -9.827 7.960 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.709 -8.537 6.419 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.501 -9.074 7.695 1.00 0.00 C ATOM 0 H PHE A 49 -36.943 -11.153 2.125 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.558 -11.867 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.585 -9.557 4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.748 -9.040 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.517 -10.616 7.155 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.925 -8.336 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.191 -10.244 8.944 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.597 -7.958 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.229 -8.908 8.476 1.00 0.00 H new ATOM 758 N LYS A 50 -39.781 -12.411 4.008 1.00 0.00 N ATOM 759 CA LYS A 50 -41.122 -12.737 3.540 1.00 0.00 C ATOM 760 C LYS A 50 -41.076 -13.268 2.108 1.00 0.00 C ATOM 761 O LYS A 50 -42.084 -13.257 1.399 1.00 0.00 O ATOM 762 CB LYS A 50 -42.014 -11.488 3.604 1.00 0.00 C ATOM 763 CG LYS A 50 -43.487 -11.899 3.695 1.00 0.00 C ATOM 764 CD LYS A 50 -44.356 -10.652 3.857 1.00 0.00 C ATOM 765 CE LYS A 50 -45.812 -11.073 4.058 1.00 0.00 C ATOM 766 NZ LYS A 50 -45.940 -11.819 5.341 1.00 0.00 N ATOM 0 H LYS A 50 -39.435 -13.016 4.753 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.537 -13.511 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.743 -10.882 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -41.854 -10.871 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.779 -12.445 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -43.636 -12.571 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -44.014 -10.065 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -44.268 -10.016 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -46.457 -10.195 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -46.139 -11.698 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -46.920 -11.754 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -45.692 -12.817 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -45.298 -11.407 6.048 1.00 0.00 H new ATOM 780 N GLY A 51 -39.903 -13.736 1.683 1.00 0.00 N ATOM 781 CA GLY A 51 -39.748 -14.272 0.332 1.00 0.00 C ATOM 782 C GLY A 51 -39.331 -13.180 -0.652 1.00 0.00 C ATOM 783 O GLY A 51 -39.398 -13.372 -1.867 1.00 0.00 O ATOM 0 H GLY A 51 -39.054 -13.755 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.001 -15.066 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.687 -14.720 0.006 1.00 0.00 H new ATOM 787 N GLU A 52 -38.902 -12.032 -0.124 1.00 0.00 N ATOM 788 CA GLU A 52 -38.476 -10.912 -0.968 1.00 0.00 C ATOM 789 C GLU A 52 -37.157 -10.337 -0.456 1.00 0.00 C ATOM 790 O GLU A 52 -36.907 -10.312 0.748 1.00 0.00 O ATOM 791 CB GLU A 52 -39.550 -9.826 -0.970 1.00 0.00 C ATOM 792 CG GLU A 52 -40.834 -10.382 -1.589 1.00 0.00 C ATOM 793 CD GLU A 52 -41.913 -9.305 -1.603 1.00 0.00 C ATOM 794 OE1 GLU A 52 -41.637 -8.213 -1.136 1.00 0.00 O ATOM 795 OE2 GLU A 52 -43.000 -9.589 -2.080 1.00 0.00 O ATOM 0 H GLU A 52 -38.840 -11.853 0.878 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.330 -11.274 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.741 -9.487 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.206 -8.960 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -40.639 -10.726 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -41.178 -11.246 -1.020 1.00 0.00 H new ATOM 802 N ARG A 53 -36.318 -9.878 -1.379 1.00 0.00 N ATOM 803 CA ARG A 53 -35.027 -9.311 -1.021 1.00 0.00 C ATOM 804 C ARG A 53 -35.223 -8.003 -0.275 1.00 0.00 C ATOM 805 O ARG A 53 -35.902 -7.096 -0.762 1.00 0.00 O ATOM 806 CB ARG A 53 -34.188 -9.079 -2.290 1.00 0.00 C ATOM 807 CG ARG A 53 -33.436 -10.363 -2.666 1.00 0.00 C ATOM 808 CD ARG A 53 -34.440 -11.469 -2.996 1.00 0.00 C ATOM 809 NE ARG A 53 -35.374 -11.011 -4.019 1.00 0.00 N ATOM 810 CZ ARG A 53 -36.409 -11.759 -4.386 1.00 0.00 C ATOM 811 NH1 ARG A 53 -37.234 -11.327 -5.301 1.00 0.00 N ATOM 812 NH2 ARG A 53 -36.601 -12.926 -3.832 1.00 0.00 N ATOM 0 H ARG A 53 -36.511 -9.889 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.499 -10.009 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.835 -8.773 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.479 -8.268 -2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -32.788 -10.179 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -32.794 -10.675 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.913 -12.357 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -34.985 -11.756 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 53 -35.230 -10.102 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -37.084 -10.416 -5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -38.029 -11.901 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -35.956 -13.264 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -37.396 -13.500 -4.114 1.00 0.00 H new ATOM 826 N ILE A 54 -34.627 -7.906 0.905 1.00 0.00 N ATOM 827 CA ILE A 54 -34.740 -6.698 1.716 1.00 0.00 C ATOM 828 C ILE A 54 -33.437 -5.893 1.678 1.00 0.00 C ATOM 829 O ILE A 54 -33.441 -4.678 1.869 1.00 0.00 O ATOM 830 CB ILE A 54 -35.074 -7.071 3.165 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.487 -5.810 3.929 1.00 0.00 C ATOM 832 CG2 ILE A 54 -33.849 -7.697 3.840 1.00 0.00 C ATOM 833 CD1 ILE A 54 -35.994 -6.193 5.320 1.00 0.00 C ATOM 0 H ILE A 54 -34.062 -8.645 1.323 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.540 -6.083 1.305 1.00 0.00 H new ATOM 0 HB ILE A 54 -35.892 -7.791 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.639 -5.131 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -36.266 -5.280 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -34.095 -7.959 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -33.554 -8.595 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -33.026 -6.983 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -36.287 -5.293 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -36.854 -6.855 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.202 -6.704 5.868 1.00 0.00 H new ATOM 845 N GLY A 55 -32.324 -6.586 1.440 1.00 0.00 N ATOM 846 CA GLY A 55 -31.017 -5.933 1.394 1.00 0.00 C ATOM 847 C GLY A 55 -29.969 -6.859 0.785 1.00 0.00 C ATOM 848 O GLY A 55 -30.113 -8.082 0.819 1.00 0.00 O ATOM 0 H GLY A 55 -32.301 -7.593 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.084 -5.017 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.714 -5.646 2.401 1.00 0.00 H new ATOM 852 N CYS A 56 -28.917 -6.268 0.232 1.00 0.00 N ATOM 853 CA CYS A 56 -27.846 -7.042 -0.382 1.00 0.00 C ATOM 854 C CYS A 56 -26.544 -6.249 -0.375 1.00 0.00 C ATOM 855 O CYS A 56 -26.542 -5.042 -0.619 1.00 0.00 O ATOM 856 CB CYS A 56 -28.218 -7.411 -1.818 1.00 0.00 C ATOM 857 SG CYS A 56 -26.919 -8.451 -2.529 1.00 0.00 S ATOM 0 H CYS A 56 -28.783 -5.257 0.196 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.706 -7.955 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -29.171 -7.939 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.344 -6.508 -2.416 1.00 0.00 H new ATOM 0 HG CYS A 56 -26.600 -9.386 -1.684 1.00 0.00 H new ATOM 863 N GLY A 57 -25.438 -6.930 -0.095 1.00 0.00 N ATOM 864 CA GLY A 57 -24.136 -6.275 -0.058 1.00 0.00 C ATOM 865 C GLY A 57 -23.025 -7.271 -0.356 1.00 0.00 C ATOM 866 O GLY A 57 -23.246 -8.482 -0.350 1.00 0.00 O ATOM 0 H GLY A 57 -25.417 -7.929 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.110 -5.465 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.976 -5.827 0.923 1.00 0.00 H new ATOM 870 N LYS A 58 -21.828 -6.754 -0.620 1.00 0.00 N ATOM 871 CA LYS A 58 -20.686 -7.606 -0.927 1.00 0.00 C ATOM 872 C LYS A 58 -19.395 -6.963 -0.452 1.00 0.00 C ATOM 873 O LYS A 58 -19.341 -5.759 -0.200 1.00 0.00 O ATOM 874 CB LYS A 58 -20.607 -7.850 -2.435 1.00 0.00 C ATOM 875 CG LYS A 58 -20.436 -6.512 -3.163 1.00 0.00 C ATOM 876 CD LYS A 58 -20.602 -6.706 -4.676 1.00 0.00 C ATOM 877 CE LYS A 58 -19.363 -7.392 -5.258 1.00 0.00 C ATOM 878 NZ LYS A 58 -19.453 -7.396 -6.747 1.00 0.00 N ATOM 0 H LYS A 58 -21.625 -5.754 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.818 -8.556 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.770 -8.510 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.511 -8.351 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.171 -5.795 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.452 -6.096 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.489 -7.307 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.754 -5.741 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.461 -6.870 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.290 -8.413 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.612 -7.862 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.306 -7.912 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.503 -6.417 -7.094 1.00 0.00 H new ATOM 892 N GLY A 59 -18.350 -7.771 -0.338 1.00 0.00 N ATOM 893 CA GLY A 59 -17.062 -7.256 0.097 1.00 0.00 C ATOM 894 C GLY A 59 -16.029 -8.377 0.208 1.00 0.00 C ATOM 895 O GLY A 59 -16.346 -9.546 -0.014 1.00 0.00 O ATOM 0 H GLY A 59 -18.368 -8.771 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.711 -6.503 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.172 -6.762 1.062 1.00 0.00 H new ATOM 899 N PRO A 60 -14.805 -8.043 0.541 1.00 0.00 N ATOM 900 CA PRO A 60 -13.696 -9.045 0.677 1.00 0.00 C ATOM 901 C PRO A 60 -14.008 -10.126 1.715 1.00 0.00 C ATOM 902 O PRO A 60 -13.580 -11.274 1.579 1.00 0.00 O ATOM 903 CB PRO A 60 -12.487 -8.198 1.116 1.00 0.00 C ATOM 904 CG PRO A 60 -12.814 -6.803 0.695 1.00 0.00 C ATOM 905 CD PRO A 60 -14.328 -6.676 0.830 1.00 0.00 C ATOM 0 HA PRO A 60 -13.528 -9.590 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.334 -8.259 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.569 -8.547 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.302 -6.074 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.495 -6.619 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.618 -6.351 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.736 -5.950 0.127 1.00 0.00 H new ATOM 913 N SER A 61 -14.741 -9.744 2.762 1.00 0.00 N ATOM 914 CA SER A 61 -15.089 -10.674 3.842 1.00 0.00 C ATOM 915 C SER A 61 -16.602 -10.803 3.972 1.00 0.00 C ATOM 916 O SER A 61 -17.352 -9.897 3.604 1.00 0.00 O ATOM 917 CB SER A 61 -14.504 -10.172 5.163 1.00 0.00 C ATOM 918 OG SER A 61 -13.088 -10.110 5.056 1.00 0.00 O ATOM 0 H SER A 61 -15.105 -8.800 2.887 1.00 0.00 H new ATOM 0 HA SER A 61 -14.673 -11.653 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.906 -9.187 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.790 -10.838 5.977 1.00 0.00 H new ATOM 0 HG SER A 61 -12.710 -9.787 5.900 1.00 0.00 H new ATOM 924 N LYS A 62 -17.043 -11.947 4.482 1.00 0.00 N ATOM 925 CA LYS A 62 -18.468 -12.203 4.639 1.00 0.00 C ATOM 926 C LYS A 62 -19.093 -11.200 5.603 1.00 0.00 C ATOM 927 O LYS A 62 -20.198 -10.711 5.373 1.00 0.00 O ATOM 928 CB LYS A 62 -18.677 -13.621 5.172 1.00 0.00 C ATOM 929 CG LYS A 62 -18.232 -14.632 4.112 1.00 0.00 C ATOM 930 CD LYS A 62 -18.410 -16.052 4.653 1.00 0.00 C ATOM 931 CE LYS A 62 -17.793 -17.054 3.675 1.00 0.00 C ATOM 932 NZ LYS A 62 -18.490 -16.970 2.362 1.00 0.00 N ATOM 0 H LYS A 62 -16.438 -12.707 4.792 1.00 0.00 H new ATOM 0 HA LYS A 62 -18.949 -12.098 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.107 -13.764 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.727 -13.777 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.818 -14.502 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.189 -14.461 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.935 -16.142 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.469 -16.269 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.731 -16.845 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.873 -18.064 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.053 -17.831 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.117 -16.141 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.787 -16.879 1.601 1.00 0.00 H new ATOM 946 N LYS A 63 -18.379 -10.892 6.679 1.00 0.00 N ATOM 947 CA LYS A 63 -18.880 -9.942 7.664 1.00 0.00 C ATOM 948 C LYS A 63 -19.106 -8.576 7.025 1.00 0.00 C ATOM 949 O LYS A 63 -20.053 -7.870 7.361 1.00 0.00 O ATOM 950 CB LYS A 63 -17.885 -9.814 8.822 1.00 0.00 C ATOM 951 CG LYS A 63 -16.461 -9.672 8.263 1.00 0.00 C ATOM 952 CD LYS A 63 -15.482 -9.264 9.371 1.00 0.00 C ATOM 953 CE LYS A 63 -15.137 -10.477 10.239 1.00 0.00 C ATOM 954 NZ LYS A 63 -14.522 -11.531 9.385 1.00 0.00 N ATOM 0 H LYS A 63 -17.460 -11.282 6.890 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.832 -10.311 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.134 -8.948 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.948 -10.690 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.143 -10.616 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.450 -8.926 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.574 -8.851 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.923 -8.480 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.448 -10.187 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.036 -10.861 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.705 -11.944 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.223 -12.275 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.208 -11.111 8.487 1.00 0.00 H new ATOM 968 N GLN A 64 -18.228 -8.207 6.106 1.00 0.00 N ATOM 969 CA GLN A 64 -18.344 -6.920 5.431 1.00 0.00 C ATOM 970 C GLN A 64 -19.577 -6.898 4.534 1.00 0.00 C ATOM 971 O GLN A 64 -20.295 -5.902 4.471 1.00 0.00 O ATOM 972 CB GLN A 64 -17.089 -6.654 4.595 1.00 0.00 C ATOM 973 CG GLN A 64 -17.117 -5.220 4.054 1.00 0.00 C ATOM 974 CD GLN A 64 -17.025 -4.221 5.203 1.00 0.00 C ATOM 975 OE1 GLN A 64 -16.128 -4.320 6.041 1.00 0.00 O ATOM 976 NE2 GLN A 64 -17.900 -3.257 5.294 1.00 0.00 N ATOM 0 H GLN A 64 -17.433 -8.773 5.811 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.446 -6.140 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.197 -6.805 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.035 -7.363 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.288 -5.068 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.035 -5.054 3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -18.643 -3.175 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.841 -2.585 6.059 1.00 0.00 H new ATOM 985 N ALA A 65 -19.804 -8.002 3.829 1.00 0.00 N ATOM 986 CA ALA A 65 -20.944 -8.100 2.924 1.00 0.00 C ATOM 987 C ALA A 65 -22.261 -8.015 3.683 1.00 0.00 C ATOM 988 O ALA A 65 -23.206 -7.367 3.236 1.00 0.00 O ATOM 989 CB ALA A 65 -20.887 -9.417 2.152 1.00 0.00 C ATOM 0 H ALA A 65 -19.218 -8.836 3.866 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.892 -7.262 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.742 -9.481 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.965 -9.459 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.914 -10.251 2.853 1.00 0.00 H new ATOM 995 N LYS A 66 -22.326 -8.688 4.825 1.00 0.00 N ATOM 996 CA LYS A 66 -23.546 -8.694 5.619 1.00 0.00 C ATOM 997 C LYS A 66 -23.871 -7.274 6.078 1.00 0.00 C ATOM 998 O LYS A 66 -25.029 -6.857 6.094 1.00 0.00 O ATOM 999 CB LYS A 66 -23.371 -9.648 6.832 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.087 -8.873 8.137 1.00 0.00 C ATOM 1001 CD LYS A 66 -22.828 -9.839 9.282 1.00 0.00 C ATOM 1002 CE LYS A 66 -22.607 -9.020 10.550 1.00 0.00 C ATOM 1003 NZ LYS A 66 -22.356 -9.935 11.687 1.00 0.00 N ATOM 0 H LYS A 66 -21.557 -9.231 5.218 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.378 -9.054 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.273 -10.248 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.552 -10.340 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -22.224 -8.222 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -23.935 -8.232 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -23.673 -10.516 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.955 -10.456 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.761 -8.345 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.480 -8.400 10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.205 -9.379 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.176 -10.561 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.510 -10.508 11.491 1.00 0.00 H new ATOM 1017 N MET A 67 -22.834 -6.559 6.503 1.00 0.00 N ATOM 1018 CA MET A 67 -23.013 -5.208 7.010 1.00 0.00 C ATOM 1019 C MET A 67 -23.590 -4.319 5.927 1.00 0.00 C ATOM 1020 O MET A 67 -24.481 -3.511 6.180 1.00 0.00 O ATOM 1021 CB MET A 67 -21.674 -4.645 7.506 1.00 0.00 C ATOM 1022 CG MET A 67 -21.896 -3.281 8.170 1.00 0.00 C ATOM 1023 SD MET A 67 -22.032 -1.999 6.898 1.00 0.00 S ATOM 1024 CE MET A 67 -20.315 -2.031 6.322 1.00 0.00 C ATOM 0 H MET A 67 -21.870 -6.891 6.506 1.00 0.00 H new ATOM 0 HA MET A 67 -23.709 -5.236 7.848 1.00 0.00 H new ATOM 0 HB2 MET A 67 -21.220 -5.336 8.217 1.00 0.00 H new ATOM 0 HB3 MET A 67 -20.980 -4.544 6.671 1.00 0.00 H new ATOM 0 HG2 MET A 67 -22.802 -3.304 8.776 1.00 0.00 H new ATOM 0 HG3 MET A 67 -21.069 -3.054 8.842 1.00 0.00 H new ATOM 0 HE1 MET A 67 -19.881 -1.036 6.417 1.00 0.00 H new ATOM 0 HE2 MET A 67 -19.742 -2.736 6.924 1.00 0.00 H new ATOM 0 HE3 MET A 67 -20.287 -2.340 5.277 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.068 -4.475 4.717 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.534 -3.683 3.593 1.00 0.00 C ATOM 1036 C GLY A 68 -24.990 -3.997 3.276 1.00 0.00 C ATOM 1037 O GLY A 68 -25.782 -3.098 2.994 1.00 0.00 O ATOM 0 H GLY A 68 -22.327 -5.139 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.427 -2.622 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -22.915 -3.885 2.719 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.341 -5.277 3.330 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.708 -5.691 3.048 1.00 0.00 C ATOM 1043 C ALA A 69 -27.673 -5.071 4.055 1.00 0.00 C ATOM 1044 O ALA A 69 -28.745 -4.590 3.686 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.812 -7.217 3.112 1.00 0.00 C ATOM 0 H ALA A 69 -24.704 -6.038 3.564 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.975 -5.349 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.837 -7.521 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.143 -7.659 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -26.530 -7.559 4.108 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.283 -5.083 5.327 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.124 -4.516 6.374 1.00 0.00 C ATOM 1053 C ALA A 70 -28.336 -3.023 6.142 1.00 0.00 C ATOM 1054 O ALA A 70 -29.453 -2.515 6.247 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.466 -4.739 7.736 1.00 0.00 C ATOM 0 H ALA A 70 -26.400 -5.475 5.654 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.094 -5.012 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.096 -4.315 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.342 -5.808 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.490 -4.254 7.753 1.00 0.00 H new ATOM 1061 N MET A 71 -27.254 -2.331 5.810 1.00 0.00 N ATOM 1062 CA MET A 71 -27.314 -0.904 5.542 1.00 0.00 C ATOM 1063 C MET A 71 -28.221 -0.619 4.353 1.00 0.00 C ATOM 1064 O MET A 71 -28.961 0.365 4.350 1.00 0.00 O ATOM 1065 CB MET A 71 -25.911 -0.362 5.281 1.00 0.00 C ATOM 1066 CG MET A 71 -25.988 1.152 5.059 1.00 0.00 C ATOM 1067 SD MET A 71 -24.314 1.836 4.927 1.00 0.00 S ATOM 1068 CE MET A 71 -24.777 3.575 4.700 1.00 0.00 C ATOM 0 H MET A 71 -26.323 -2.738 5.720 1.00 0.00 H new ATOM 0 HA MET A 71 -27.729 -0.403 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.259 -0.585 6.126 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.477 -0.848 4.407 1.00 0.00 H new ATOM 0 HG2 MET A 71 -26.552 1.368 4.152 1.00 0.00 H new ATOM 0 HG3 MET A 71 -26.520 1.624 5.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.877 4.181 4.597 1.00 0.00 H new ATOM 0 HE2 MET A 71 -25.387 3.675 3.802 1.00 0.00 H new ATOM 0 HE3 MET A 71 -25.346 3.916 5.565 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.155 -1.478 3.340 1.00 0.00 N ATOM 1079 CA ASP A 72 -28.971 -1.294 2.149 1.00 0.00 C ATOM 1080 C ASP A 72 -30.449 -1.299 2.519 1.00 0.00 C ATOM 1081 O ASP A 72 -31.208 -0.432 2.086 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.689 -2.424 1.156 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.470 -2.198 -0.131 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.259 -1.268 -0.168 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.270 -2.959 -1.064 1.00 0.00 O ATOM 0 H ASP A 72 -27.551 -2.300 3.321 1.00 0.00 H new ATOM 0 HA ASP A 72 -28.722 -0.335 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.622 -2.470 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -28.967 -3.382 1.595 1.00 0.00 H new ATOM 1090 N ALA A 73 -30.849 -2.267 3.333 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.235 -2.357 3.763 1.00 0.00 C ATOM 1092 C ALA A 73 -32.622 -1.125 4.569 1.00 0.00 C ATOM 1093 O ALA A 73 -33.714 -0.583 4.411 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.436 -3.606 4.620 1.00 0.00 C ATOM 0 H ALA A 73 -30.238 -2.994 3.705 1.00 0.00 H new ATOM 0 HA ALA A 73 -32.868 -2.417 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.477 -3.666 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.183 -4.492 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.791 -3.553 5.497 1.00 0.00 H new ATOM 1100 N LEU A 74 -31.718 -0.692 5.436 1.00 0.00 N ATOM 1101 CA LEU A 74 -31.979 0.475 6.268 1.00 0.00 C ATOM 1102 C LEU A 74 -32.211 1.709 5.400 1.00 0.00 C ATOM 1103 O LEU A 74 -33.180 2.442 5.595 1.00 0.00 O ATOM 1104 CB LEU A 74 -30.790 0.715 7.208 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.171 1.716 8.317 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -30.122 1.650 9.435 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -31.262 3.158 7.766 1.00 0.00 C ATOM 0 H LEU A 74 -30.806 -1.125 5.581 1.00 0.00 H new ATOM 0 HA LEU A 74 -32.877 0.292 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.475 -0.228 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -29.942 1.098 6.640 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.152 1.446 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -30.385 2.356 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -30.092 0.641 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -29.143 1.906 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.532 3.839 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -30.297 3.451 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -32.021 3.202 6.985 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.324 1.930 4.433 1.00 0.00 N ATOM 1120 CA GLU A 75 -31.449 3.086 3.550 1.00 0.00 C ATOM 1121 C GLU A 75 -32.736 3.010 2.736 1.00 0.00 C ATOM 1122 O GLU A 75 -33.461 3.997 2.610 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.248 3.147 2.603 1.00 0.00 C ATOM 1124 CG GLU A 75 -30.345 4.399 1.726 1.00 0.00 C ATOM 1125 CD GLU A 75 -29.103 4.522 0.849 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.296 3.606 0.865 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -28.971 5.535 0.182 1.00 0.00 O ATOM 0 H GLU A 75 -30.520 1.332 4.242 1.00 0.00 H new ATOM 0 HA GLU A 75 -31.478 3.986 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -29.321 3.164 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -30.220 2.255 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -31.237 4.347 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -30.446 5.285 2.353 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.018 1.832 2.192 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.224 1.636 1.397 1.00 0.00 C ATOM 1136 C LYS A 76 -35.456 1.516 2.291 1.00 0.00 C ATOM 1137 O LYS A 76 -36.578 1.762 1.853 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.090 0.381 0.536 1.00 0.00 C ATOM 1139 CG LYS A 76 -33.071 0.630 -0.580 1.00 0.00 C ATOM 1140 CD LYS A 76 -32.959 -0.620 -1.455 1.00 0.00 C ATOM 1141 CE LYS A 76 -32.060 -0.324 -2.657 1.00 0.00 C ATOM 1142 NZ LYS A 76 -30.690 0.027 -2.186 1.00 0.00 N ATOM 0 H LYS A 76 -32.432 1.003 2.286 1.00 0.00 H new ATOM 0 HA LYS A 76 -34.347 2.506 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -33.773 -0.462 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -35.057 0.117 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -33.378 1.484 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.099 0.876 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -32.548 -1.447 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -33.948 -0.929 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -32.018 -1.193 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -32.476 0.497 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -29.987 -0.514 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -30.525 1.045 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -30.600 -0.204 -1.176 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.237 1.130 3.545 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.337 0.967 4.492 1.00 0.00 C ATOM 1158 C TYR A 77 -37.527 0.283 3.817 1.00 0.00 C ATOM 1159 O TYR A 77 -38.395 0.946 3.247 1.00 0.00 O ATOM 1160 CB TYR A 77 -36.768 2.334 5.034 1.00 0.00 C ATOM 1161 CG TYR A 77 -37.645 2.142 6.249 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.069 2.081 7.523 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.031 2.026 6.100 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -37.881 1.900 8.650 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -39.843 1.845 7.227 1.00 0.00 C ATOM 1166 CZ TYR A 77 -39.268 1.785 8.502 1.00 0.00 C ATOM 1167 OH TYR A 77 -40.068 1.610 9.611 1.00 0.00 O ATOM 0 H TYR A 77 -34.314 0.925 3.928 1.00 0.00 H new ATOM 0 HA TYR A 77 -35.994 0.343 5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -35.891 2.926 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -37.309 2.887 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -35.999 2.173 7.637 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -39.475 2.076 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -37.437 1.849 9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -40.913 1.752 7.112 1.00 0.00 H new ATOM 0 HH TYR A 77 -41.005 1.550 9.332 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.553 -1.044 3.881 1.00 0.00 N ATOM 1178 CA ASN A 78 -38.630 -1.818 3.265 1.00 0.00 C ATOM 1179 C ASN A 78 -39.860 -1.856 4.164 1.00 0.00 C ATOM 1180 O ASN A 78 -39.820 -2.399 5.267 1.00 0.00 O ATOM 1181 CB ASN A 78 -38.154 -3.243 2.988 1.00 0.00 C ATOM 1182 CG ASN A 78 -39.244 -4.025 2.262 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -39.984 -3.461 1.456 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -39.390 -5.297 2.507 1.00 0.00 N ATOM 0 H ASN A 78 -36.844 -1.607 4.351 1.00 0.00 H new ATOM 0 HA ASN A 78 -38.902 -1.334 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -37.247 -3.221 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -37.901 -3.739 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -40.119 -5.828 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -38.775 -5.761 3.175 1.00 0.00 H new ATOM 1191 N PHE A 79 -40.953 -1.277 3.681 1.00 0.00 N ATOM 1192 CA PHE A 79 -42.193 -1.250 4.450 1.00 0.00 C ATOM 1193 C PHE A 79 -42.851 -2.634 4.488 1.00 0.00 C ATOM 1194 O PHE A 79 -42.713 -3.417 3.551 1.00 0.00 O ATOM 1195 CB PHE A 79 -43.164 -0.235 3.834 1.00 0.00 C ATOM 1196 CG PHE A 79 -42.658 1.163 4.092 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -41.765 1.760 3.198 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -43.085 1.863 5.229 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -41.292 3.053 3.438 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -42.612 3.158 5.471 1.00 0.00 C ATOM 1201 CZ PHE A 79 -41.717 3.753 4.574 1.00 0.00 C ATOM 0 H PHE A 79 -41.007 -0.824 2.769 1.00 0.00 H new ATOM 0 HA PHE A 79 -41.953 -0.956 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -43.256 -0.408 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -44.158 -0.359 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -41.440 1.221 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -43.778 1.403 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -40.599 3.512 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -42.937 3.697 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 79 -41.354 4.753 4.758 1.00 0.00 H new ATOM 1211 N PRO A 80 -43.560 -2.944 5.554 1.00 0.00 N ATOM 1212 CA PRO A 80 -44.257 -4.261 5.707 1.00 0.00 C ATOM 1213 C PRO A 80 -45.350 -4.462 4.657 1.00 0.00 C ATOM 1214 O PRO A 80 -45.807 -5.581 4.427 1.00 0.00 O ATOM 1215 CB PRO A 80 -44.839 -4.210 7.134 1.00 0.00 C ATOM 1216 CG PRO A 80 -44.909 -2.756 7.487 1.00 0.00 C ATOM 1217 CD PRO A 80 -43.767 -2.079 6.730 1.00 0.00 C ATOM 0 HA PRO A 80 -43.581 -5.103 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -45.826 -4.671 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -44.206 -4.754 7.835 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -45.871 -2.332 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -44.804 -2.611 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -44.029 -1.062 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -42.867 -2.013 7.341 1.00 0.00 H new ATOM 1225 N GLN A 81 -45.764 -3.371 4.024 1.00 0.00 N ATOM 1226 CA GLN A 81 -46.808 -3.438 3.008 1.00 0.00 C ATOM 1227 C GLN A 81 -46.693 -2.258 2.054 1.00 0.00 C ATOM 1228 O GLN A 81 -46.127 -1.222 2.400 1.00 0.00 O ATOM 1229 CB GLN A 81 -48.184 -3.424 3.678 1.00 0.00 C ATOM 1230 CG GLN A 81 -48.357 -2.122 4.464 1.00 0.00 C ATOM 1231 CD GLN A 81 -49.642 -2.175 5.284 1.00 0.00 C ATOM 1232 OE1 GLN A 81 -49.754 -2.977 6.211 1.00 0.00 O ATOM 1233 NE2 GLN A 81 -50.624 -1.365 4.996 1.00 0.00 N ATOM 0 H GLN A 81 -45.396 -2.435 4.194 1.00 0.00 H new ATOM 0 HA GLN A 81 -46.688 -4.362 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -48.967 -3.514 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -48.284 -4.280 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -47.502 -1.968 5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -48.388 -1.275 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -50.529 -0.701 4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -51.487 -1.396 5.540 1.00 0.00 H new ATOM 1242 N MET A 82 -47.227 -2.428 0.848 1.00 0.00 N ATOM 1243 CA MET A 82 -47.175 -1.373 -0.159 1.00 0.00 C ATOM 1244 C MET A 82 -48.339 -0.403 0.021 1.00 0.00 C ATOM 1245 O MET A 82 -48.165 0.764 -0.288 1.00 0.00 O ATOM 1246 CB MET A 82 -47.224 -1.994 -1.563 1.00 0.00 C ATOM 1247 CG MET A 82 -46.600 -1.033 -2.580 1.00 0.00 C ATOM 1248 SD MET A 82 -44.809 -0.968 -2.320 1.00 0.00 S ATOM 1249 CE MET A 82 -44.452 0.328 -3.528 1.00 0.00 C ATOM 1250 OXT MET A 82 -49.389 -0.842 0.464 1.00 0.00 O ATOM 0 H MET A 82 -47.698 -3.281 0.545 1.00 0.00 H new ATOM 0 HA MET A 82 -46.243 -0.821 -0.040 1.00 0.00 H new ATOM 0 HB2 MET A 82 -46.688 -2.943 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 82 -48.256 -2.210 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 82 -46.820 -1.365 -3.594 1.00 0.00 H new ATOM 0 HG3 MET A 82 -47.032 -0.038 -2.470 1.00 0.00 H new ATOM 0 HE1 MET A 82 -43.382 0.533 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 82 -44.766 -0.001 -4.519 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.993 1.235 -3.259 1.00 0.00 H new TER 1260 MET A 82