USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 20 ASN : amide:sc= -2.36! C(o=-1.4!,f=-5.5!) USER MOD Set 1.2: A 24 GLN : amide:sc= 0.989 K(o=-1.4,f=-3.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -57:sc= 0.0951 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.005) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc=-0.00155 (180deg=-0.137) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.36) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot 150:sc= 0.376 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 70:sc=-0.00369 USER MOD Single : A 53 TYR OH : rot 141:sc= 0.444 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -120:sc= 1.23 (180deg=-0.118) USER MOD Single : A 63 THR OG1 : rot 154:sc= -2.41! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= 0.868 (180deg=-0.307) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0.979 K(o=0.98,f=-0.79) USER MOD Single : A 78 GLN : amide:sc= 1.1 K(o=1.1,f=-0.098) USER MOD Single : A 79 ASN : amide:sc= 1.16 K(o=1.2,f=-0.6) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0.00038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.055 -22.050 -13.088 1.00 51.00 N ATOM 2 CA MET A 1 9.530 -22.091 -14.447 1.00 13.00 C ATOM 3 C MET A 1 8.087 -21.685 -14.429 1.00 72.00 C ATOM 4 O MET A 1 7.241 -22.411 -13.909 1.00 14.00 O ATOM 5 CB MET A 1 9.663 -23.485 -15.068 1.00 50.00 C ATOM 6 CG MET A 1 11.087 -23.958 -15.265 1.00 71.00 C ATOM 7 SD MET A 1 11.162 -25.584 -16.042 1.00 21.00 S ATOM 8 CE MET A 1 12.936 -25.832 -16.121 1.00 15.00 C ATOM 0 H1 MET A 1 11.072 -22.265 -13.102 1.00 51.00 H new ATOM 0 H2 MET A 1 9.907 -21.102 -12.687 1.00 51.00 H new ATOM 0 H3 MET A 1 9.561 -22.754 -12.504 1.00 51.00 H new ATOM 0 HA MET A 1 10.113 -21.400 -15.056 1.00 13.00 H new ATOM 0 HB2 MET A 1 9.141 -24.201 -14.433 1.00 50.00 H new ATOM 0 HB3 MET A 1 9.157 -23.487 -16.034 1.00 50.00 H new ATOM 0 HG2 MET A 1 11.626 -23.238 -15.881 1.00 71.00 H new ATOM 0 HG3 MET A 1 11.593 -23.994 -14.300 1.00 71.00 H new ATOM 0 HE1 MET A 1 13.148 -26.798 -16.579 1.00 15.00 H new ATOM 0 HE2 MET A 1 13.388 -25.040 -16.718 1.00 15.00 H new ATOM 0 HE3 MET A 1 13.352 -25.809 -15.114 1.00 15.00 H new ATOM 18 N GLN A 2 7.792 -20.525 -14.958 1.00 30.00 N ATOM 19 CA GLN A 2 6.436 -20.032 -14.954 1.00 33.00 C ATOM 20 C GLN A 2 6.062 -19.452 -16.281 1.00 54.00 C ATOM 21 O GLN A 2 6.810 -18.658 -16.865 1.00 61.00 O ATOM 22 CB GLN A 2 6.211 -19.002 -13.846 1.00 5.00 C ATOM 23 CG GLN A 2 6.289 -19.574 -12.443 1.00 13.00 C ATOM 24 CD GLN A 2 6.038 -18.541 -11.384 1.00 51.00 C ATOM 25 OE1 GLN A 2 6.967 -17.888 -10.897 1.00 65.00 O ATOM 26 NE2 GLN A 2 4.796 -18.369 -11.023 1.00 23.00 N ATOM 0 H GLN A 2 8.471 -19.904 -15.397 1.00 30.00 H new ATOM 0 HA GLN A 2 5.790 -20.888 -14.757 1.00 33.00 H new ATOM 0 HB2 GLN A 2 6.953 -18.210 -13.945 1.00 5.00 H new ATOM 0 HB3 GLN A 2 5.233 -18.542 -13.985 1.00 5.00 H new ATOM 0 HG2 GLN A 2 5.560 -20.378 -12.341 1.00 13.00 H new ATOM 0 HG3 GLN A 2 7.274 -20.015 -12.289 1.00 13.00 H new ATOM 0 HE21 GLN A 2 4.058 -18.929 -11.450 1.00 23.00 H new ATOM 0 HE22 GLN A 2 4.563 -17.674 -10.314 1.00 23.00 H new ATOM 35 N THR A 3 4.924 -19.847 -16.752 1.00 3.00 N ATOM 36 CA THR A 3 4.384 -19.359 -17.975 1.00 1.00 C ATOM 37 C THR A 3 3.665 -18.075 -17.640 1.00 43.00 C ATOM 38 O THR A 3 3.079 -17.950 -16.555 1.00 13.00 O ATOM 39 CB THR A 3 3.367 -20.380 -18.521 1.00 25.00 C ATOM 40 OG1 THR A 3 3.853 -21.714 -18.253 1.00 61.00 O ATOM 41 CG2 THR A 3 3.224 -20.232 -20.023 1.00 75.00 C ATOM 0 H THR A 3 4.332 -20.534 -16.285 1.00 3.00 H new ATOM 0 HA THR A 3 5.162 -19.200 -18.722 1.00 1.00 H new ATOM 0 HB THR A 3 2.405 -20.206 -18.040 1.00 25.00 H new ATOM 0 HG1 THR A 3 3.211 -22.371 -18.595 1.00 61.00 H new ATOM 0 HG21 THR A 3 2.502 -20.960 -20.393 1.00 75.00 H new ATOM 0 HG22 THR A 3 2.877 -19.226 -20.258 1.00 75.00 H new ATOM 0 HG23 THR A 3 4.189 -20.404 -20.499 1.00 75.00 H new ATOM 49 N ASP A 4 3.731 -17.124 -18.512 1.00 32.00 N ATOM 50 CA ASP A 4 3.029 -15.892 -18.274 1.00 23.00 C ATOM 51 C ASP A 4 1.574 -16.137 -18.629 1.00 12.00 C ATOM 52 O ASP A 4 1.280 -16.960 -19.486 1.00 61.00 O ATOM 53 CB ASP A 4 3.608 -14.747 -19.120 1.00 44.00 C ATOM 54 CG ASP A 4 4.961 -14.216 -18.696 1.00 42.00 C ATOM 55 OD1 ASP A 4 6.012 -14.813 -19.058 1.00 25.00 O ATOM 56 OD2 ASP A 4 5.006 -13.147 -18.074 1.00 21.00 O ATOM 0 H ASP A 4 4.254 -17.167 -19.386 1.00 32.00 H new ATOM 0 HA ASP A 4 3.132 -15.592 -17.231 1.00 23.00 H new ATOM 0 HB2 ASP A 4 3.683 -15.089 -20.152 1.00 44.00 H new ATOM 0 HB3 ASP A 4 2.897 -13.920 -19.109 1.00 44.00 H new ATOM 61 N THR A 5 0.668 -15.535 -17.950 1.00 12.00 N ATOM 62 CA THR A 5 -0.723 -15.727 -18.257 1.00 21.00 C ATOM 63 C THR A 5 -1.475 -14.415 -18.118 1.00 13.00 C ATOM 64 O THR A 5 -1.074 -13.545 -17.355 1.00 20.00 O ATOM 65 CB THR A 5 -1.332 -16.862 -17.368 1.00 30.00 C ATOM 66 OG1 THR A 5 -0.635 -18.094 -17.640 1.00 44.00 O ATOM 67 CG2 THR A 5 -2.824 -17.066 -17.617 1.00 31.00 C ATOM 0 H THR A 5 0.853 -14.901 -17.173 1.00 12.00 H new ATOM 0 HA THR A 5 -0.822 -16.050 -19.293 1.00 21.00 H new ATOM 0 HB THR A 5 -1.213 -16.564 -16.326 1.00 30.00 H new ATOM 0 HG1 THR A 5 -0.704 -18.305 -18.595 1.00 44.00 H new ATOM 0 HG21 THR A 5 -3.194 -17.865 -16.974 1.00 31.00 H new ATOM 0 HG22 THR A 5 -3.360 -16.143 -17.394 1.00 31.00 H new ATOM 0 HG23 THR A 5 -2.985 -17.336 -18.661 1.00 31.00 H new ATOM 75 N LEU A 6 -2.517 -14.247 -18.916 1.00 51.00 N ATOM 76 CA LEU A 6 -3.298 -13.071 -18.895 1.00 3.00 C ATOM 77 C LEU A 6 -4.288 -13.027 -17.723 1.00 75.00 C ATOM 78 O LEU A 6 -4.067 -13.666 -16.707 1.00 64.00 O ATOM 79 CB LEU A 6 -3.895 -12.783 -20.295 1.00 22.00 C ATOM 80 CG LEU A 6 -2.900 -12.098 -21.239 1.00 25.00 C ATOM 81 CD1 LEU A 6 -1.858 -13.016 -21.797 1.00 35.00 C ATOM 82 CD2 LEU A 6 -3.570 -11.272 -22.309 1.00 31.00 C ATOM 0 H LEU A 6 -2.828 -14.943 -19.594 1.00 51.00 H new ATOM 0 HA LEU A 6 -2.645 -12.225 -18.683 1.00 3.00 H new ATOM 0 HB2 LEU A 6 -4.227 -13.720 -20.743 1.00 22.00 H new ATOM 0 HB3 LEU A 6 -4.777 -12.152 -20.185 1.00 22.00 H new ATOM 0 HG LEU A 6 -2.358 -11.398 -20.603 1.00 25.00 H new ATOM 0 HD11 LEU A 6 -1.194 -12.455 -22.455 1.00 35.00 H new ATOM 0 HD12 LEU A 6 -1.280 -13.449 -20.981 1.00 35.00 H new ATOM 0 HD13 LEU A 6 -2.341 -13.813 -22.363 1.00 35.00 H new ATOM 0 HD21 LEU A 6 -2.811 -10.814 -22.944 1.00 31.00 H new ATOM 0 HD22 LEU A 6 -4.211 -11.912 -22.915 1.00 31.00 H new ATOM 0 HD23 LEU A 6 -4.172 -10.492 -21.843 1.00 31.00 H new ATOM 94 N GLU A 7 -5.361 -12.288 -17.880 1.00 4.00 N ATOM 95 CA GLU A 7 -6.273 -11.939 -16.823 1.00 41.00 C ATOM 96 C GLU A 7 -7.005 -13.171 -16.336 1.00 30.00 C ATOM 97 O GLU A 7 -7.418 -13.274 -15.187 1.00 73.00 O ATOM 98 CB GLU A 7 -7.233 -10.937 -17.425 1.00 51.00 C ATOM 99 CG GLU A 7 -8.196 -10.311 -16.476 1.00 4.00 C ATOM 100 CD GLU A 7 -8.719 -9.048 -17.058 1.00 63.00 C ATOM 101 OE1 GLU A 7 -7.964 -8.080 -17.080 1.00 55.00 O ATOM 102 OE2 GLU A 7 -9.875 -9.005 -17.517 1.00 13.00 O ATOM 0 H GLU A 7 -5.631 -11.900 -18.784 1.00 4.00 H new ATOM 0 HA GLU A 7 -5.757 -11.519 -15.960 1.00 41.00 H new ATOM 0 HB2 GLU A 7 -6.653 -10.146 -17.899 1.00 51.00 H new ATOM 0 HB3 GLU A 7 -7.799 -11.433 -18.213 1.00 51.00 H new ATOM 0 HG2 GLU A 7 -9.018 -10.997 -16.271 1.00 4.00 H new ATOM 0 HG3 GLU A 7 -7.705 -10.109 -15.524 1.00 4.00 H new ATOM 109 N TYR A 8 -7.099 -14.114 -17.248 1.00 14.00 N ATOM 110 CA TYR A 8 -7.751 -15.387 -17.129 1.00 2.00 C ATOM 111 C TYR A 8 -9.196 -15.381 -16.610 1.00 32.00 C ATOM 112 O TYR A 8 -9.788 -16.444 -16.464 1.00 13.00 O ATOM 113 CB TYR A 8 -6.872 -16.504 -16.509 1.00 70.00 C ATOM 114 CG TYR A 8 -6.412 -16.336 -15.072 1.00 3.00 C ATOM 115 CD1 TYR A 8 -7.228 -16.694 -14.012 1.00 51.00 C ATOM 116 CD2 TYR A 8 -5.144 -15.856 -14.785 1.00 34.00 C ATOM 117 CE1 TYR A 8 -6.798 -16.570 -12.710 1.00 61.00 C ATOM 118 CE2 TYR A 8 -4.707 -15.727 -13.487 1.00 52.00 C ATOM 119 CZ TYR A 8 -5.537 -16.085 -12.452 1.00 54.00 C ATOM 120 OH TYR A 8 -5.102 -15.953 -11.145 1.00 53.00 O ATOM 0 H TYR A 8 -6.682 -13.992 -18.171 1.00 14.00 H new ATOM 0 HA TYR A 8 -7.879 -15.660 -18.177 1.00 2.00 H new ATOM 0 HB2 TYR A 8 -7.427 -17.440 -16.574 1.00 70.00 H new ATOM 0 HB3 TYR A 8 -5.985 -16.615 -17.132 1.00 70.00 H new ATOM 0 HD1 TYR A 8 -8.218 -17.077 -14.210 1.00 51.00 H new ATOM 0 HD2 TYR A 8 -4.487 -15.578 -15.596 1.00 34.00 H new ATOM 0 HE1 TYR A 8 -7.448 -16.852 -11.895 1.00 61.00 H new ATOM 0 HE2 TYR A 8 -3.717 -15.346 -13.283 1.00 52.00 H new ATOM 0 HH TYR A 8 -4.189 -15.598 -11.139 1.00 53.00 H new ATOM 130 N GLN A 9 -9.790 -14.209 -16.461 1.00 71.00 N ATOM 131 CA GLN A 9 -11.100 -14.054 -15.891 1.00 22.00 C ATOM 132 C GLN A 9 -11.687 -12.792 -16.364 1.00 64.00 C ATOM 133 O GLN A 9 -11.602 -11.755 -15.721 1.00 43.00 O ATOM 134 CB GLN A 9 -11.121 -14.113 -14.354 1.00 13.00 C ATOM 135 CG GLN A 9 -10.897 -15.494 -13.814 1.00 61.00 C ATOM 136 CD GLN A 9 -10.966 -15.575 -12.306 1.00 25.00 C ATOM 137 OE1 GLN A 9 -9.963 -15.420 -11.606 1.00 14.00 O ATOM 138 NE2 GLN A 9 -12.134 -15.810 -11.792 1.00 4.00 N ATOM 0 H GLN A 9 -9.360 -13.328 -16.741 1.00 71.00 H new ATOM 0 HA GLN A 9 -11.695 -14.904 -16.226 1.00 22.00 H new ATOM 0 HB2 GLN A 9 -10.353 -13.447 -13.961 1.00 13.00 H new ATOM 0 HB3 GLN A 9 -12.081 -13.741 -13.995 1.00 13.00 H new ATOM 0 HG2 GLN A 9 -11.642 -16.166 -14.240 1.00 61.00 H new ATOM 0 HG3 GLN A 9 -9.921 -15.850 -14.144 1.00 61.00 H new ATOM 0 HE21 GLN A 9 -12.943 -15.933 -12.400 1.00 4.00 H new ATOM 0 HE22 GLN A 9 -12.243 -15.871 -10.780 1.00 4.00 H new ATOM 147 N CYS A 10 -12.222 -12.866 -17.498 1.00 43.00 N ATOM 148 CA CYS A 10 -12.868 -11.744 -18.096 1.00 13.00 C ATOM 149 C CYS A 10 -14.358 -11.927 -17.857 1.00 21.00 C ATOM 150 O CYS A 10 -14.766 -12.978 -17.338 1.00 23.00 O ATOM 151 CB CYS A 10 -12.545 -11.671 -19.590 1.00 44.00 C ATOM 152 SG CYS A 10 -10.791 -11.493 -20.022 1.00 63.00 S ATOM 0 H CYS A 10 -12.236 -13.713 -18.067 1.00 43.00 H new ATOM 0 HA CYS A 10 -12.523 -10.806 -17.660 1.00 13.00 H new ATOM 0 HB2 CYS A 10 -12.926 -12.574 -20.067 1.00 44.00 H new ATOM 0 HB3 CYS A 10 -13.090 -10.830 -20.018 1.00 44.00 H new ATOM 157 N ASP A 11 -15.165 -10.947 -18.194 1.00 54.00 N ATOM 158 CA ASP A 11 -16.618 -11.029 -17.961 1.00 4.00 C ATOM 159 C ASP A 11 -17.239 -12.190 -18.706 1.00 54.00 C ATOM 160 O ASP A 11 -18.014 -12.966 -18.148 1.00 55.00 O ATOM 161 CB ASP A 11 -17.324 -9.743 -18.404 1.00 42.00 C ATOM 162 CG ASP A 11 -16.810 -8.518 -17.722 1.00 32.00 C ATOM 163 OD1 ASP A 11 -15.772 -7.997 -18.152 1.00 42.00 O ATOM 164 OD2 ASP A 11 -17.426 -8.050 -16.752 1.00 31.00 O ATOM 0 H ASP A 11 -14.856 -10.079 -18.631 1.00 54.00 H new ATOM 0 HA ASP A 11 -16.749 -11.174 -16.889 1.00 4.00 H new ATOM 0 HB2 ASP A 11 -17.207 -9.626 -19.481 1.00 42.00 H new ATOM 0 HB3 ASP A 11 -18.392 -9.838 -18.208 1.00 42.00 H new ATOM 169 N GLU A 12 -16.870 -12.322 -19.946 1.00 74.00 N ATOM 170 CA GLU A 12 -17.495 -13.288 -20.817 1.00 22.00 C ATOM 171 C GLU A 12 -16.779 -14.611 -20.833 1.00 20.00 C ATOM 172 O GLU A 12 -17.405 -15.660 -20.877 1.00 40.00 O ATOM 173 CB GLU A 12 -17.511 -12.749 -22.227 1.00 32.00 C ATOM 174 CG GLU A 12 -18.046 -11.358 -22.331 1.00 5.00 C ATOM 175 CD GLU A 12 -17.973 -10.833 -23.731 1.00 2.00 C ATOM 176 OE1 GLU A 12 -16.917 -10.309 -24.108 1.00 33.00 O ATOM 177 OE2 GLU A 12 -18.952 -10.948 -24.481 1.00 24.00 O ATOM 0 H GLU A 12 -16.133 -11.770 -20.385 1.00 74.00 H new ATOM 0 HA GLU A 12 -18.502 -13.453 -20.435 1.00 22.00 H new ATOM 0 HB2 GLU A 12 -16.497 -12.770 -22.626 1.00 32.00 H new ATOM 0 HB3 GLU A 12 -18.113 -13.408 -22.852 1.00 32.00 H new ATOM 0 HG2 GLU A 12 -19.081 -11.341 -21.991 1.00 5.00 H new ATOM 0 HG3 GLU A 12 -17.482 -10.702 -21.668 1.00 5.00 H new ATOM 184 N LYS A 13 -15.487 -14.569 -20.778 1.00 2.00 N ATOM 185 CA LYS A 13 -14.689 -15.746 -21.055 1.00 64.00 C ATOM 186 C LYS A 13 -13.493 -15.733 -20.148 1.00 41.00 C ATOM 187 O LYS A 13 -13.139 -14.678 -19.618 1.00 12.00 O ATOM 188 CB LYS A 13 -14.160 -15.662 -22.501 1.00 72.00 C ATOM 189 CG LYS A 13 -15.202 -15.484 -23.601 1.00 44.00 C ATOM 190 CD LYS A 13 -15.980 -16.758 -23.901 1.00 55.00 C ATOM 191 CE LYS A 13 -16.978 -16.553 -25.036 1.00 40.00 C ATOM 192 NZ LYS A 13 -17.982 -15.508 -24.739 1.00 12.00 N ATOM 0 H LYS A 13 -14.949 -13.735 -20.544 1.00 2.00 H new ATOM 0 HA LYS A 13 -15.292 -16.642 -20.909 1.00 64.00 H new ATOM 0 HB2 LYS A 13 -13.458 -14.830 -22.559 1.00 72.00 H new ATOM 0 HB3 LYS A 13 -13.596 -16.571 -22.710 1.00 72.00 H new ATOM 0 HG2 LYS A 13 -15.900 -14.700 -23.308 1.00 44.00 H new ATOM 0 HG3 LYS A 13 -14.706 -15.146 -24.511 1.00 44.00 H new ATOM 0 HD2 LYS A 13 -15.285 -17.555 -24.166 1.00 55.00 H new ATOM 0 HD3 LYS A 13 -16.509 -17.081 -23.005 1.00 55.00 H new ATOM 0 HE2 LYS A 13 -16.438 -16.283 -25.943 1.00 40.00 H new ATOM 0 HE3 LYS A 13 -17.490 -17.494 -25.238 1.00 40.00 H new ATOM 0 HZ1 LYS A 13 -18.729 -15.528 -25.463 1.00 12.00 H new ATOM 0 HZ2 LYS A 13 -18.401 -15.685 -23.804 1.00 12.00 H new ATOM 0 HZ3 LYS A 13 -17.523 -14.575 -24.741 1.00 12.00 H new ATOM 206 N PRO A 14 -12.867 -16.865 -19.911 1.00 2.00 N ATOM 207 CA PRO A 14 -11.634 -16.884 -19.204 1.00 35.00 C ATOM 208 C PRO A 14 -10.458 -16.716 -20.194 1.00 15.00 C ATOM 209 O PRO A 14 -10.324 -17.470 -21.150 1.00 61.00 O ATOM 210 CB PRO A 14 -11.616 -18.253 -18.523 1.00 22.00 C ATOM 211 CG PRO A 14 -12.530 -19.128 -19.340 1.00 33.00 C ATOM 212 CD PRO A 14 -13.324 -18.227 -20.266 1.00 5.00 C ATOM 0 HA PRO A 14 -11.534 -16.075 -18.480 1.00 35.00 H new ATOM 0 HB2 PRO A 14 -10.606 -18.662 -18.493 1.00 22.00 H new ATOM 0 HB3 PRO A 14 -11.961 -18.182 -17.492 1.00 22.00 H new ATOM 0 HG2 PRO A 14 -11.953 -19.853 -19.914 1.00 33.00 H new ATOM 0 HG3 PRO A 14 -13.198 -19.694 -18.691 1.00 33.00 H new ATOM 0 HD2 PRO A 14 -13.126 -18.455 -21.313 1.00 5.00 H new ATOM 0 HD3 PRO A 14 -14.397 -18.342 -20.113 1.00 5.00 H new ATOM 220 N LEU A 15 -9.606 -15.752 -19.955 1.00 11.00 N ATOM 221 CA LEU A 15 -8.540 -15.472 -20.875 1.00 71.00 C ATOM 222 C LEU A 15 -7.273 -16.050 -20.337 1.00 44.00 C ATOM 223 O LEU A 15 -6.370 -15.334 -19.843 1.00 44.00 O ATOM 224 CB LEU A 15 -8.390 -13.974 -21.116 1.00 75.00 C ATOM 225 CG LEU A 15 -7.254 -13.559 -22.048 1.00 32.00 C ATOM 226 CD1 LEU A 15 -7.429 -14.150 -23.433 1.00 52.00 C ATOM 227 CD2 LEU A 15 -7.158 -12.060 -22.113 1.00 35.00 C ATOM 0 H LEU A 15 -9.632 -15.150 -19.132 1.00 11.00 H new ATOM 0 HA LEU A 15 -8.773 -15.929 -21.837 1.00 71.00 H new ATOM 0 HB2 LEU A 15 -9.327 -13.596 -21.526 1.00 75.00 H new ATOM 0 HB3 LEU A 15 -8.242 -13.484 -20.154 1.00 75.00 H new ATOM 0 HG LEU A 15 -6.322 -13.952 -21.642 1.00 32.00 H new ATOM 0 HD11 LEU A 15 -6.603 -13.834 -24.070 1.00 52.00 H new ATOM 0 HD12 LEU A 15 -7.440 -15.238 -23.366 1.00 52.00 H new ATOM 0 HD13 LEU A 15 -8.370 -13.803 -23.860 1.00 52.00 H new ATOM 0 HD21 LEU A 15 -6.344 -11.776 -22.781 1.00 35.00 H new ATOM 0 HD22 LEU A 15 -8.096 -11.651 -22.490 1.00 35.00 H new ATOM 0 HD23 LEU A 15 -6.964 -11.664 -21.116 1.00 35.00 H new ATOM 239 N THR A 16 -7.221 -17.317 -20.332 1.00 13.00 N ATOM 240 CA THR A 16 -6.111 -17.959 -19.783 1.00 25.00 C ATOM 241 C THR A 16 -5.128 -18.289 -20.895 1.00 33.00 C ATOM 242 O THR A 16 -5.243 -19.301 -21.583 1.00 44.00 O ATOM 243 CB THR A 16 -6.523 -19.209 -19.009 1.00 4.00 C ATOM 244 OG1 THR A 16 -7.777 -18.952 -18.339 1.00 2.00 O ATOM 245 CG2 THR A 16 -5.482 -19.517 -17.963 1.00 71.00 C ATOM 0 H THR A 16 -7.942 -17.934 -20.706 1.00 13.00 H new ATOM 0 HA THR A 16 -5.626 -17.294 -19.068 1.00 25.00 H new ATOM 0 HB THR A 16 -6.621 -20.048 -19.698 1.00 4.00 H new ATOM 0 HG1 THR A 16 -8.051 -19.750 -17.840 1.00 2.00 H new ATOM 0 HG21 THR A 16 -5.775 -20.409 -17.410 1.00 71.00 H new ATOM 0 HG22 THR A 16 -4.520 -19.689 -18.446 1.00 71.00 H new ATOM 0 HG23 THR A 16 -5.397 -18.675 -17.276 1.00 71.00 H new ATOM 253 N VAL A 17 -4.213 -17.398 -21.089 1.00 24.00 N ATOM 254 CA VAL A 17 -3.244 -17.497 -22.142 1.00 3.00 C ATOM 255 C VAL A 17 -1.957 -17.988 -21.583 1.00 4.00 C ATOM 256 O VAL A 17 -1.554 -17.559 -20.520 1.00 2.00 O ATOM 257 CB VAL A 17 -2.995 -16.111 -22.772 1.00 31.00 C ATOM 258 CG1 VAL A 17 -1.872 -16.147 -23.794 1.00 1.00 C ATOM 259 CG2 VAL A 17 -4.253 -15.585 -23.413 1.00 0.00 C ATOM 0 H VAL A 17 -4.112 -16.563 -20.512 1.00 24.00 H new ATOM 0 HA VAL A 17 -3.623 -18.184 -22.899 1.00 3.00 H new ATOM 0 HB VAL A 17 -2.695 -15.442 -21.966 1.00 31.00 H new ATOM 0 HG11 VAL A 17 -1.730 -15.151 -24.213 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -0.951 -16.473 -23.311 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -2.129 -16.843 -24.592 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -4.056 -14.607 -23.851 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.579 -16.273 -24.193 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.035 -15.494 -22.659 1.00 0.00 H new ATOM 269 N LYS A 18 -1.316 -18.866 -22.278 1.00 24.00 N ATOM 270 CA LYS A 18 -0.035 -19.306 -21.865 1.00 10.00 C ATOM 271 C LYS A 18 0.949 -18.529 -22.640 1.00 71.00 C ATOM 272 O LYS A 18 1.304 -18.910 -23.757 1.00 33.00 O ATOM 273 CB LYS A 18 0.192 -20.798 -22.109 1.00 13.00 C ATOM 274 CG LYS A 18 -0.386 -21.767 -21.076 1.00 63.00 C ATOM 275 CD LYS A 18 -1.854 -21.544 -20.801 1.00 14.00 C ATOM 276 CE LYS A 18 -2.408 -22.632 -19.901 1.00 23.00 C ATOM 277 NZ LYS A 18 -3.764 -22.319 -19.409 1.00 23.00 N ATOM 0 H LYS A 18 -1.663 -19.292 -23.137 1.00 24.00 H new ATOM 0 HA LYS A 18 0.062 -19.154 -20.790 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -0.229 -21.050 -23.082 1.00 13.00 H new ATOM 0 HB3 LYS A 18 1.266 -20.971 -22.172 1.00 13.00 H new ATOM 0 HG2 LYS A 18 -0.241 -22.789 -21.426 1.00 63.00 H new ATOM 0 HG3 LYS A 18 0.170 -21.667 -20.144 1.00 63.00 H new ATOM 0 HD2 LYS A 18 -1.996 -20.571 -20.331 1.00 14.00 H new ATOM 0 HD3 LYS A 18 -2.406 -21.528 -21.741 1.00 14.00 H new ATOM 0 HE2 LYS A 18 -2.431 -23.575 -20.447 1.00 23.00 H new ATOM 0 HE3 LYS A 18 -1.740 -22.772 -19.051 1.00 23.00 H new ATOM 0 HZ1 LYS A 18 -4.249 -23.200 -19.143 1.00 23.00 H new ATOM 0 HZ2 LYS A 18 -3.697 -21.697 -18.579 1.00 23.00 H new ATOM 0 HZ3 LYS A 18 -4.303 -21.840 -20.158 1.00 23.00 H new ATOM 291 N LEU A 19 1.284 -17.395 -22.125 1.00 4.00 N ATOM 292 CA LEU A 19 2.289 -16.599 -22.705 1.00 31.00 C ATOM 293 C LEU A 19 3.571 -17.259 -22.452 1.00 32.00 C ATOM 294 O LEU A 19 4.010 -17.409 -21.305 1.00 22.00 O ATOM 295 CB LEU A 19 2.350 -15.202 -22.124 1.00 13.00 C ATOM 296 CG LEU A 19 1.426 -14.126 -22.676 1.00 45.00 C ATOM 297 CD1 LEU A 19 1.613 -12.853 -21.860 1.00 74.00 C ATOM 298 CD2 LEU A 19 1.762 -13.833 -24.129 1.00 55.00 C ATOM 0 H LEU A 19 0.861 -17.000 -21.285 1.00 4.00 H new ATOM 0 HA LEU A 19 2.068 -16.496 -23.767 1.00 31.00 H new ATOM 0 HB2 LEU A 19 2.157 -15.283 -21.054 1.00 13.00 H new ATOM 0 HB3 LEU A 19 3.374 -14.845 -22.237 1.00 13.00 H new ATOM 0 HG LEU A 19 0.395 -14.474 -22.613 1.00 45.00 H new ATOM 0 HD11 LEU A 19 0.956 -12.074 -22.246 1.00 74.00 H new ATOM 0 HD12 LEU A 19 1.368 -13.050 -20.816 1.00 74.00 H new ATOM 0 HD13 LEU A 19 2.649 -12.523 -21.933 1.00 74.00 H new ATOM 0 HD21 LEU A 19 1.092 -13.061 -24.509 1.00 55.00 H new ATOM 0 HD22 LEU A 19 2.793 -13.486 -24.201 1.00 55.00 H new ATOM 0 HD23 LEU A 19 1.642 -14.741 -24.720 1.00 55.00 H new ATOM 310 N ASN A 20 4.153 -17.676 -23.480 1.00 23.00 N ATOM 311 CA ASN A 20 5.448 -18.276 -23.396 1.00 73.00 C ATOM 312 C ASN A 20 6.381 -17.122 -23.086 1.00 14.00 C ATOM 313 O ASN A 20 6.190 -16.058 -23.629 1.00 0.00 O ATOM 314 CB ASN A 20 5.767 -18.904 -24.752 1.00 44.00 C ATOM 315 CG ASN A 20 7.003 -19.775 -24.786 1.00 70.00 C ATOM 316 OD1 ASN A 20 8.091 -19.313 -25.075 1.00 32.00 O ATOM 317 ND2 ASN A 20 6.833 -21.041 -24.534 1.00 64.00 N ATOM 0 H ASN A 20 3.766 -17.623 -24.422 1.00 23.00 H new ATOM 0 HA ASN A 20 5.531 -19.059 -22.642 1.00 73.00 H new ATOM 0 HB2 ASN A 20 4.912 -19.502 -25.067 1.00 44.00 H new ATOM 0 HB3 ASN A 20 5.885 -18.106 -25.485 1.00 44.00 H new ATOM 0 HD21 ASN A 20 7.627 -21.680 -24.576 1.00 64.00 H new ATOM 0 HD22 ASN A 20 5.906 -21.393 -24.295 1.00 64.00 H new ATOM 324 N ASN A 21 7.326 -17.309 -22.182 1.00 64.00 N ATOM 325 CA ASN A 21 8.167 -16.188 -21.691 1.00 43.00 C ATOM 326 C ASN A 21 8.810 -15.316 -22.807 1.00 35.00 C ATOM 327 O ASN A 21 8.690 -14.086 -22.750 1.00 24.00 O ATOM 328 CB ASN A 21 9.164 -16.627 -20.612 1.00 51.00 C ATOM 329 CG ASN A 21 9.993 -15.470 -20.071 1.00 3.00 C ATOM 330 OD1 ASN A 21 11.107 -15.218 -20.526 1.00 74.00 O ATOM 331 ND2 ASN A 21 9.447 -14.738 -19.130 1.00 54.00 N ATOM 0 H ASN A 21 7.544 -18.214 -21.764 1.00 64.00 H new ATOM 0 HA ASN A 21 7.465 -15.510 -21.205 1.00 43.00 H new ATOM 0 HB2 ASN A 21 8.621 -17.095 -19.791 1.00 51.00 H new ATOM 0 HB3 ASN A 21 9.831 -17.384 -21.026 1.00 51.00 H new ATOM 0 HD21 ASN A 21 9.948 -13.933 -18.755 1.00 54.00 H new ATOM 0 HD22 ASN A 21 8.521 -14.974 -18.774 1.00 54.00 H new ATOM 338 N PRO A 22 9.484 -15.917 -23.842 1.00 40.00 N ATOM 339 CA PRO A 22 9.964 -15.165 -25.040 1.00 25.00 C ATOM 340 C PRO A 22 8.825 -14.483 -25.826 1.00 2.00 C ATOM 341 O PRO A 22 9.074 -13.662 -26.699 1.00 24.00 O ATOM 342 CB PRO A 22 10.595 -16.257 -25.905 1.00 43.00 C ATOM 343 CG PRO A 22 11.017 -17.296 -24.939 1.00 24.00 C ATOM 344 CD PRO A 22 9.963 -17.316 -23.879 1.00 33.00 C ATOM 0 HA PRO A 22 10.638 -14.357 -24.756 1.00 25.00 H new ATOM 0 HB2 PRO A 22 9.881 -16.653 -26.628 1.00 43.00 H new ATOM 0 HB3 PRO A 22 11.443 -15.874 -26.472 1.00 43.00 H new ATOM 0 HG2 PRO A 22 11.104 -18.269 -25.423 1.00 24.00 H new ATOM 0 HG3 PRO A 22 11.994 -17.063 -24.515 1.00 24.00 H new ATOM 0 HD2 PRO A 22 9.159 -18.009 -24.126 1.00 33.00 H new ATOM 0 HD3 PRO A 22 10.368 -17.627 -22.916 1.00 33.00 H new ATOM 352 N ARG A 23 7.576 -14.857 -25.505 1.00 33.00 N ATOM 353 CA ARG A 23 6.349 -14.302 -26.120 1.00 23.00 C ATOM 354 C ARG A 23 6.262 -14.565 -27.589 1.00 72.00 C ATOM 355 O ARG A 23 5.636 -13.845 -28.346 1.00 60.00 O ATOM 356 CB ARG A 23 6.180 -12.853 -25.746 1.00 2.00 C ATOM 357 CG ARG A 23 5.730 -12.724 -24.317 1.00 13.00 C ATOM 358 CD ARG A 23 6.033 -11.337 -23.743 1.00 71.00 C ATOM 359 NE ARG A 23 5.457 -11.090 -22.384 1.00 53.00 N ATOM 360 CZ ARG A 23 5.674 -11.820 -21.245 1.00 44.00 C ATOM 361 NH1 ARG A 23 6.410 -12.946 -21.256 1.00 4.00 N ATOM 362 NH2 ARG A 23 5.174 -11.397 -20.090 1.00 54.00 N ATOM 0 H ARG A 23 7.382 -15.566 -24.798 1.00 33.00 H new ATOM 0 HA ARG A 23 5.494 -14.836 -25.706 1.00 23.00 H new ATOM 0 HB2 ARG A 23 7.123 -12.324 -25.885 1.00 2.00 H new ATOM 0 HB3 ARG A 23 5.451 -12.384 -26.406 1.00 2.00 H new ATOM 0 HG2 ARG A 23 4.659 -12.916 -24.256 1.00 13.00 H new ATOM 0 HG3 ARG A 23 6.225 -13.483 -23.711 1.00 13.00 H new ATOM 0 HD2 ARG A 23 7.114 -11.205 -23.695 1.00 71.00 H new ATOM 0 HD3 ARG A 23 5.650 -10.582 -24.429 1.00 71.00 H new ATOM 0 HE ARG A 23 4.833 -10.288 -22.296 1.00 53.00 H new ATOM 0 HH11 ARG A 23 6.823 -13.277 -22.128 1.00 4.00 H new ATOM 0 HH12 ARG A 23 6.555 -13.469 -20.392 1.00 4.00 H new ATOM 0 HH21 ARG A 23 4.632 -10.534 -20.055 1.00 54.00 H new ATOM 0 HH22 ARG A 23 5.332 -11.936 -19.238 1.00 54.00 H new ATOM 376 N GLN A 24 6.833 -15.659 -27.947 1.00 73.00 N ATOM 377 CA GLN A 24 6.825 -16.153 -29.274 1.00 32.00 C ATOM 378 C GLN A 24 5.539 -16.942 -29.521 1.00 1.00 C ATOM 379 O GLN A 24 5.134 -17.151 -30.662 1.00 31.00 O ATOM 380 CB GLN A 24 8.040 -17.072 -29.455 1.00 55.00 C ATOM 381 CG GLN A 24 8.049 -18.253 -28.478 1.00 32.00 C ATOM 382 CD GLN A 24 9.292 -19.103 -28.554 1.00 32.00 C ATOM 383 OE1 GLN A 24 9.919 -19.231 -29.600 1.00 13.00 O ATOM 384 NE2 GLN A 24 9.651 -19.699 -27.449 1.00 5.00 N ATOM 0 H GLN A 24 7.339 -16.258 -27.295 1.00 73.00 H new ATOM 0 HA GLN A 24 6.872 -15.327 -29.983 1.00 32.00 H new ATOM 0 HB2 GLN A 24 8.052 -17.453 -30.476 1.00 55.00 H new ATOM 0 HB3 GLN A 24 8.952 -16.490 -29.321 1.00 55.00 H new ATOM 0 HG2 GLN A 24 7.944 -17.872 -27.462 1.00 32.00 H new ATOM 0 HG3 GLN A 24 7.180 -18.880 -28.675 1.00 32.00 H new ATOM 0 HE21 GLN A 24 9.104 -19.568 -26.598 1.00 5.00 H new ATOM 0 HE22 GLN A 24 10.479 -20.295 -27.437 1.00 5.00 H new ATOM 393 N GLU A 25 4.863 -17.313 -28.435 1.00 41.00 N ATOM 394 CA GLU A 25 3.768 -18.254 -28.532 1.00 21.00 C ATOM 395 C GLU A 25 2.799 -18.088 -27.373 1.00 10.00 C ATOM 396 O GLU A 25 3.187 -17.650 -26.278 1.00 31.00 O ATOM 397 CB GLU A 25 4.342 -19.693 -28.536 1.00 53.00 C ATOM 398 CG GLU A 25 3.308 -20.805 -28.649 1.00 25.00 C ATOM 399 CD GLU A 25 3.915 -22.175 -28.561 1.00 2.00 C ATOM 400 OE1 GLU A 25 4.071 -22.697 -27.432 1.00 43.00 O ATOM 401 OE2 GLU A 25 4.232 -22.763 -29.608 1.00 25.00 O ATOM 0 H GLU A 25 5.057 -16.977 -27.492 1.00 41.00 H new ATOM 0 HA GLU A 25 3.221 -18.065 -29.456 1.00 21.00 H new ATOM 0 HB2 GLU A 25 5.043 -19.785 -29.366 1.00 53.00 H new ATOM 0 HB3 GLU A 25 4.913 -19.842 -27.619 1.00 53.00 H new ATOM 0 HG2 GLU A 25 2.568 -20.689 -27.857 1.00 25.00 H new ATOM 0 HG3 GLU A 25 2.778 -20.707 -29.597 1.00 25.00 H new ATOM 408 N VAL A 26 1.555 -18.402 -27.640 1.00 12.00 N ATOM 409 CA VAL A 26 0.498 -18.438 -26.655 1.00 72.00 C ATOM 410 C VAL A 26 -0.264 -19.729 -26.790 1.00 65.00 C ATOM 411 O VAL A 26 -0.578 -20.173 -27.896 1.00 41.00 O ATOM 412 CB VAL A 26 -0.501 -17.251 -26.796 1.00 12.00 C ATOM 413 CG1 VAL A 26 0.174 -15.930 -26.554 1.00 30.00 C ATOM 414 CG2 VAL A 26 -1.209 -17.238 -28.133 1.00 1.00 C ATOM 0 H VAL A 26 1.239 -18.648 -28.578 1.00 12.00 H new ATOM 0 HA VAL A 26 0.971 -18.358 -25.676 1.00 72.00 H new ATOM 0 HB VAL A 26 -1.258 -17.404 -26.027 1.00 12.00 H new ATOM 0 HG11 VAL A 26 -0.553 -15.125 -26.661 1.00 30.00 H new ATOM 0 HG12 VAL A 26 0.589 -15.913 -25.546 1.00 30.00 H new ATOM 0 HG13 VAL A 26 0.976 -15.793 -27.279 1.00 30.00 H new ATOM 0 HG21 VAL A 26 -1.892 -16.390 -28.175 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -0.474 -17.152 -28.933 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -1.772 -18.163 -28.256 1.00 1.00 H new ATOM 424 N SER A 27 -0.485 -20.377 -25.709 1.00 41.00 N ATOM 425 CA SER A 27 -1.357 -21.483 -25.722 1.00 51.00 C ATOM 426 C SER A 27 -2.640 -20.981 -25.128 1.00 3.00 C ATOM 427 O SER A 27 -2.693 -20.569 -23.970 1.00 70.00 O ATOM 428 CB SER A 27 -0.756 -22.660 -24.988 1.00 44.00 C ATOM 429 OG SER A 27 0.593 -22.824 -25.429 1.00 20.00 O ATOM 0 H SER A 27 -0.072 -20.158 -24.802 1.00 41.00 H new ATOM 0 HA SER A 27 -1.539 -21.868 -26.726 1.00 51.00 H new ATOM 0 HB2 SER A 27 -0.785 -22.491 -23.912 1.00 44.00 H new ATOM 0 HB3 SER A 27 -1.332 -23.564 -25.185 1.00 44.00 H new ATOM 0 HG SER A 27 1.000 -23.583 -24.962 1.00 20.00 H new ATOM 435 N PHE A 28 -3.624 -20.944 -25.935 1.00 23.00 N ATOM 436 CA PHE A 28 -4.831 -20.277 -25.635 1.00 44.00 C ATOM 437 C PHE A 28 -6.011 -21.208 -25.616 1.00 62.00 C ATOM 438 O PHE A 28 -6.060 -22.219 -26.316 1.00 22.00 O ATOM 439 CB PHE A 28 -4.987 -19.065 -26.577 1.00 55.00 C ATOM 440 CG PHE A 28 -6.363 -18.468 -26.687 1.00 63.00 C ATOM 441 CD1 PHE A 28 -6.861 -17.623 -25.709 1.00 74.00 C ATOM 442 CD2 PHE A 28 -7.159 -18.763 -27.785 1.00 12.00 C ATOM 443 CE1 PHE A 28 -8.128 -17.092 -25.825 1.00 52.00 C ATOM 444 CE2 PHE A 28 -8.419 -18.234 -27.905 1.00 12.00 C ATOM 445 CZ PHE A 28 -8.905 -17.401 -26.925 1.00 65.00 C ATOM 0 H PHE A 28 -3.615 -21.390 -26.852 1.00 23.00 H new ATOM 0 HA PHE A 28 -4.792 -19.892 -24.616 1.00 44.00 H new ATOM 0 HB2 PHE A 28 -4.303 -18.285 -26.243 1.00 55.00 H new ATOM 0 HB3 PHE A 28 -4.666 -19.366 -27.574 1.00 55.00 H new ATOM 0 HD1 PHE A 28 -6.253 -17.379 -24.850 1.00 74.00 H new ATOM 0 HD2 PHE A 28 -6.781 -19.418 -28.556 1.00 12.00 H new ATOM 0 HE1 PHE A 28 -8.512 -16.436 -25.058 1.00 52.00 H new ATOM 0 HE2 PHE A 28 -9.027 -18.471 -28.766 1.00 12.00 H new ATOM 0 HZ PHE A 28 -9.898 -16.986 -27.015 1.00 65.00 H new ATOM 455 N VAL A 29 -6.921 -20.838 -24.810 1.00 12.00 N ATOM 456 CA VAL A 29 -8.075 -21.561 -24.480 1.00 13.00 C ATOM 457 C VAL A 29 -9.243 -21.251 -25.433 1.00 54.00 C ATOM 458 O VAL A 29 -9.734 -20.140 -25.532 1.00 42.00 O ATOM 459 CB VAL A 29 -8.435 -21.288 -22.990 1.00 24.00 C ATOM 460 CG1 VAL A 29 -8.585 -19.785 -22.705 1.00 64.00 C ATOM 461 CG2 VAL A 29 -9.669 -22.053 -22.572 1.00 61.00 C ATOM 0 H VAL A 29 -6.872 -19.943 -24.322 1.00 12.00 H new ATOM 0 HA VAL A 29 -7.876 -22.626 -24.602 1.00 13.00 H new ATOM 0 HB VAL A 29 -7.602 -21.649 -22.387 1.00 24.00 H new ATOM 0 HG11 VAL A 29 -8.836 -19.637 -21.655 1.00 64.00 H new ATOM 0 HG12 VAL A 29 -7.647 -19.277 -22.929 1.00 64.00 H new ATOM 0 HG13 VAL A 29 -9.378 -19.374 -23.329 1.00 64.00 H new ATOM 0 HG21 VAL A 29 -9.892 -21.840 -21.527 1.00 61.00 H new ATOM 0 HG22 VAL A 29 -10.512 -21.750 -23.192 1.00 61.00 H new ATOM 0 HG23 VAL A 29 -9.494 -23.122 -22.695 1.00 61.00 H new ATOM 471 N TYR A 30 -9.607 -22.260 -26.146 1.00 74.00 N ATOM 472 CA TYR A 30 -10.740 -22.257 -27.094 1.00 44.00 C ATOM 473 C TYR A 30 -12.036 -22.189 -26.303 1.00 52.00 C ATOM 474 O TYR A 30 -12.996 -21.530 -26.705 1.00 11.00 O ATOM 475 CB TYR A 30 -10.688 -23.589 -27.855 1.00 61.00 C ATOM 476 CG TYR A 30 -11.649 -23.768 -29.013 1.00 21.00 C ATOM 477 CD1 TYR A 30 -12.959 -24.197 -28.823 1.00 2.00 C ATOM 478 CD2 TYR A 30 -11.224 -23.540 -30.301 1.00 3.00 C ATOM 479 CE1 TYR A 30 -13.807 -24.382 -29.899 1.00 65.00 C ATOM 480 CE2 TYR A 30 -12.062 -23.717 -31.372 1.00 5.00 C ATOM 481 CZ TYR A 30 -13.348 -24.136 -31.172 1.00 74.00 C ATOM 482 OH TYR A 30 -14.182 -24.318 -32.256 1.00 43.00 O ATOM 0 H TYR A 30 -9.125 -23.158 -26.106 1.00 74.00 H new ATOM 0 HA TYR A 30 -10.687 -21.410 -27.778 1.00 44.00 H new ATOM 0 HB2 TYR A 30 -9.675 -23.721 -28.235 1.00 61.00 H new ATOM 0 HB3 TYR A 30 -10.868 -24.392 -27.141 1.00 61.00 H new ATOM 0 HD1 TYR A 30 -13.318 -24.388 -27.822 1.00 2.00 H new ATOM 0 HD2 TYR A 30 -10.209 -23.215 -30.473 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -14.822 -24.717 -29.741 1.00 65.00 H new ATOM 0 HE2 TYR A 30 -11.706 -23.525 -32.374 1.00 5.00 H new ATOM 0 HH TYR A 30 -13.700 -24.098 -33.080 1.00 43.00 H new ATOM 492 N ASP A 31 -12.032 -22.892 -25.188 1.00 21.00 N ATOM 493 CA ASP A 31 -13.166 -23.006 -24.281 1.00 72.00 C ATOM 494 C ASP A 31 -12.688 -23.770 -23.068 1.00 15.00 C ATOM 495 O ASP A 31 -12.718 -23.269 -21.948 1.00 41.00 O ATOM 496 CB ASP A 31 -14.333 -23.740 -24.952 1.00 60.00 C ATOM 497 CG ASP A 31 -15.569 -23.865 -24.079 1.00 24.00 C ATOM 498 OD1 ASP A 31 -15.664 -24.814 -23.290 1.00 63.00 O ATOM 499 OD2 ASP A 31 -16.508 -23.034 -24.221 1.00 45.00 O ATOM 0 H ASP A 31 -11.216 -23.418 -24.875 1.00 21.00 H new ATOM 0 HA ASP A 31 -13.530 -22.018 -24.000 1.00 72.00 H new ATOM 0 HB2 ASP A 31 -14.600 -23.214 -25.869 1.00 60.00 H new ATOM 0 HB3 ASP A 31 -14.003 -24.738 -25.241 1.00 60.00 H new ATOM 504 N ASN A 32 -12.200 -24.980 -23.308 1.00 44.00 N ATOM 505 CA ASN A 32 -11.580 -25.785 -22.253 1.00 0.00 C ATOM 506 C ASN A 32 -10.438 -26.622 -22.811 1.00 32.00 C ATOM 507 O ASN A 32 -9.936 -27.530 -22.150 1.00 60.00 O ATOM 508 CB ASN A 32 -12.602 -26.687 -21.511 1.00 35.00 C ATOM 509 CG ASN A 32 -13.302 -27.750 -22.372 1.00 10.00 C ATOM 510 OD1 ASN A 32 -12.767 -28.248 -23.363 1.00 61.00 O ATOM 511 ND2 ASN A 32 -14.488 -28.122 -21.977 1.00 23.00 N ATOM 0 H ASN A 32 -12.220 -25.430 -24.223 1.00 44.00 H new ATOM 0 HA ASN A 32 -11.181 -25.084 -21.520 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.087 -27.190 -20.693 1.00 35.00 H new ATOM 0 HB3 ASN A 32 -13.364 -26.049 -21.064 1.00 35.00 H new ATOM 0 HD21 ASN A 32 -14.995 -28.842 -22.493 1.00 23.00 H new ATOM 0 HD22 ASN A 32 -14.909 -27.693 -21.153 1.00 23.00 H new ATOM 518 N GLN A 33 -9.996 -26.282 -23.996 1.00 74.00 N ATOM 519 CA GLN A 33 -8.960 -26.999 -24.657 1.00 12.00 C ATOM 520 C GLN A 33 -8.009 -25.964 -25.125 1.00 31.00 C ATOM 521 O GLN A 33 -8.413 -24.795 -25.328 1.00 55.00 O ATOM 522 CB GLN A 33 -9.497 -27.850 -25.825 1.00 74.00 C ATOM 523 CG GLN A 33 -9.961 -27.056 -27.021 1.00 1.00 C ATOM 524 CD GLN A 33 -10.502 -27.929 -28.137 1.00 50.00 C ATOM 525 OE1 GLN A 33 -9.759 -28.367 -29.023 1.00 24.00 O ATOM 526 NE2 GLN A 33 -11.782 -28.185 -28.114 1.00 44.00 N ATOM 0 H GLN A 33 -10.356 -25.489 -24.526 1.00 74.00 H new ATOM 0 HA GLN A 33 -8.482 -27.714 -23.988 1.00 12.00 H new ATOM 0 HB2 GLN A 33 -8.715 -28.539 -26.144 1.00 74.00 H new ATOM 0 HB3 GLN A 33 -10.328 -28.456 -25.463 1.00 74.00 H new ATOM 0 HG2 GLN A 33 -10.735 -26.355 -26.707 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -9.129 -26.463 -27.402 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -12.364 -27.806 -27.367 1.00 44.00 H new ATOM 0 HE22 GLN A 33 -12.200 -28.764 -28.843 1.00 44.00 H new ATOM 535 N LEU A 34 -6.801 -26.330 -25.297 1.00 11.00 N ATOM 536 CA LEU A 34 -5.809 -25.365 -25.578 1.00 41.00 C ATOM 537 C LEU A 34 -5.259 -25.514 -26.987 1.00 74.00 C ATOM 538 O LEU A 34 -4.953 -26.624 -27.434 1.00 61.00 O ATOM 539 CB LEU A 34 -4.666 -25.476 -24.568 1.00 64.00 C ATOM 540 CG LEU A 34 -4.988 -25.173 -23.103 1.00 31.00 C ATOM 541 CD1 LEU A 34 -3.787 -25.487 -22.228 1.00 11.00 C ATOM 542 CD2 LEU A 34 -5.383 -23.717 -22.932 1.00 73.00 C ATOM 0 H LEU A 34 -6.470 -27.294 -25.249 1.00 11.00 H new ATOM 0 HA LEU A 34 -6.277 -24.383 -25.500 1.00 41.00 H new ATOM 0 HB2 LEU A 34 -4.266 -26.488 -24.622 1.00 64.00 H new ATOM 0 HB3 LEU A 34 -3.870 -24.801 -24.884 1.00 64.00 H new ATOM 0 HG LEU A 34 -5.826 -25.800 -22.799 1.00 31.00 H new ATOM 0 HD11 LEU A 34 -4.027 -25.268 -21.188 1.00 11.00 H new ATOM 0 HD12 LEU A 34 -3.531 -26.542 -22.327 1.00 11.00 H new ATOM 0 HD13 LEU A 34 -2.939 -24.877 -22.541 1.00 11.00 H new ATOM 0 HD21 LEU A 34 -5.608 -23.522 -21.884 1.00 73.00 H new ATOM 0 HD22 LEU A 34 -4.561 -23.077 -23.252 1.00 73.00 H new ATOM 0 HD23 LEU A 34 -6.264 -23.506 -23.538 1.00 73.00 H new ATOM 554 N LEU A 35 -5.149 -24.418 -27.672 1.00 41.00 N ATOM 555 CA LEU A 35 -4.489 -24.374 -28.970 1.00 31.00 C ATOM 556 C LEU A 35 -3.232 -23.571 -28.825 1.00 14.00 C ATOM 557 O LEU A 35 -3.003 -22.970 -27.772 1.00 74.00 O ATOM 558 CB LEU A 35 -5.349 -23.731 -30.070 1.00 24.00 C ATOM 559 CG LEU A 35 -6.607 -24.463 -30.529 1.00 3.00 C ATOM 560 CD1 LEU A 35 -6.329 -25.905 -30.916 1.00 54.00 C ATOM 561 CD2 LEU A 35 -7.735 -24.354 -29.537 1.00 1.00 C ATOM 0 H LEU A 35 -5.511 -23.517 -27.358 1.00 41.00 H new ATOM 0 HA LEU A 35 -4.296 -25.403 -29.273 1.00 31.00 H new ATOM 0 HB2 LEU A 35 -5.649 -22.742 -29.722 1.00 24.00 H new ATOM 0 HB3 LEU A 35 -4.714 -23.582 -30.943 1.00 24.00 H new ATOM 0 HG LEU A 35 -6.939 -23.953 -31.433 1.00 3.00 H new ATOM 0 HD11 LEU A 35 -7.256 -26.381 -31.235 1.00 54.00 H new ATOM 0 HD12 LEU A 35 -5.608 -25.930 -31.733 1.00 54.00 H new ATOM 0 HD13 LEU A 35 -5.923 -26.440 -30.058 1.00 54.00 H new ATOM 0 HD21 LEU A 35 -8.604 -24.893 -29.914 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -7.425 -24.786 -28.585 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -7.993 -23.305 -29.393 1.00 1.00 H new ATOM 573 N HIS A 36 -2.444 -23.516 -29.853 1.00 73.00 N ATOM 574 CA HIS A 36 -1.210 -22.757 -29.792 1.00 30.00 C ATOM 575 C HIS A 36 -1.079 -21.801 -30.958 1.00 52.00 C ATOM 576 O HIS A 36 -1.049 -22.193 -32.121 1.00 53.00 O ATOM 577 CB HIS A 36 0.053 -23.637 -29.579 1.00 52.00 C ATOM 578 CG HIS A 36 0.307 -24.700 -30.620 1.00 23.00 C ATOM 579 ND1 HIS A 36 1.271 -24.543 -31.596 1.00 61.00 N ATOM 580 CD2 HIS A 36 -0.277 -25.906 -30.771 1.00 50.00 C ATOM 581 CE1 HIS A 36 1.238 -25.657 -32.314 1.00 41.00 C ATOM 582 NE2 HIS A 36 0.322 -26.501 -31.847 1.00 50.00 N ATOM 0 H HIS A 36 -2.621 -23.980 -30.744 1.00 73.00 H new ATOM 0 HA HIS A 36 -1.274 -22.146 -28.891 1.00 30.00 H new ATOM 0 HB2 HIS A 36 0.924 -22.983 -29.538 1.00 52.00 H new ATOM 0 HB3 HIS A 36 -0.027 -24.122 -28.606 1.00 52.00 H new ATOM 0 HD2 HIS A 36 -1.065 -26.322 -30.161 1.00 50.00 H new ATOM 0 HE1 HIS A 36 1.872 -25.853 -33.166 1.00 41.00 H new ATOM 0 HE2 HIS A 36 0.106 -27.424 -32.223 1.00 50.00 H new ATOM 590 N LEU A 37 -1.037 -20.546 -30.625 1.00 21.00 N ATOM 591 CA LEU A 37 -0.968 -19.480 -31.585 1.00 74.00 C ATOM 592 C LEU A 37 0.344 -18.828 -31.416 1.00 75.00 C ATOM 593 O LEU A 37 0.885 -18.809 -30.307 1.00 52.00 O ATOM 594 CB LEU A 37 -2.074 -18.419 -31.362 1.00 52.00 C ATOM 595 CG LEU A 37 -3.562 -18.888 -31.463 1.00 74.00 C ATOM 596 CD1 LEU A 37 -3.959 -19.817 -30.317 1.00 14.00 C ATOM 597 CD2 LEU A 37 -4.505 -17.712 -31.502 1.00 72.00 C ATOM 0 H LEU A 37 -1.050 -20.225 -29.657 1.00 21.00 H new ATOM 0 HA LEU A 37 -1.105 -19.895 -32.584 1.00 74.00 H new ATOM 0 HB2 LEU A 37 -1.926 -17.983 -30.374 1.00 52.00 H new ATOM 0 HB3 LEU A 37 -1.924 -17.620 -32.089 1.00 52.00 H new ATOM 0 HG LEU A 37 -3.641 -19.446 -32.396 1.00 74.00 H new ATOM 0 HD11 LEU A 37 -5.001 -20.114 -30.434 1.00 14.00 H new ATOM 0 HD12 LEU A 37 -3.325 -20.704 -30.331 1.00 14.00 H new ATOM 0 HD13 LEU A 37 -3.834 -19.297 -29.367 1.00 14.00 H new ATOM 0 HD21 LEU A 37 -5.532 -18.071 -31.572 1.00 72.00 H new ATOM 0 HD22 LEU A 37 -4.388 -17.122 -30.593 1.00 72.00 H new ATOM 0 HD23 LEU A 37 -4.277 -17.092 -32.369 1.00 72.00 H new ATOM 609 N LYS A 38 0.866 -18.284 -32.451 1.00 31.00 N ATOM 610 CA LYS A 38 2.139 -17.689 -32.339 1.00 1.00 C ATOM 611 C LYS A 38 2.196 -16.350 -32.973 1.00 33.00 C ATOM 612 O LYS A 38 1.397 -16.039 -33.872 1.00 3.00 O ATOM 613 CB LYS A 38 3.194 -18.591 -32.883 1.00 22.00 C ATOM 614 CG LYS A 38 3.062 -18.949 -34.347 1.00 3.00 C ATOM 615 CD LYS A 38 4.275 -19.721 -34.782 1.00 42.00 C ATOM 616 CE LYS A 38 4.201 -20.146 -36.231 1.00 24.00 C ATOM 617 NZ LYS A 38 5.452 -20.803 -36.652 1.00 33.00 N ATOM 0 H LYS A 38 0.436 -18.239 -33.375 1.00 31.00 H new ATOM 0 HA LYS A 38 2.330 -17.538 -31.277 1.00 1.00 H new ATOM 0 HB2 LYS A 38 4.164 -18.118 -32.730 1.00 22.00 H new ATOM 0 HB3 LYS A 38 3.193 -19.513 -32.301 1.00 22.00 H new ATOM 0 HG2 LYS A 38 2.162 -19.543 -34.508 1.00 3.00 H new ATOM 0 HG3 LYS A 38 2.959 -18.044 -34.946 1.00 3.00 H new ATOM 0 HD2 LYS A 38 5.165 -19.109 -34.631 1.00 42.00 H new ATOM 0 HD3 LYS A 38 4.385 -20.604 -34.153 1.00 42.00 H new ATOM 0 HE2 LYS A 38 3.362 -20.828 -36.372 1.00 24.00 H new ATOM 0 HE3 LYS A 38 4.013 -19.276 -36.860 1.00 24.00 H new ATOM 0 HZ1 LYS A 38 5.377 -21.086 -37.650 1.00 33.00 H new ATOM 0 HZ2 LYS A 38 6.247 -20.142 -36.538 1.00 33.00 H new ATOM 0 HZ3 LYS A 38 5.616 -21.646 -36.065 1.00 33.00 H new ATOM 631 N GLN A 39 3.132 -15.576 -32.517 1.00 1.00 N ATOM 632 CA GLN A 39 3.311 -14.245 -32.961 1.00 60.00 C ATOM 633 C GLN A 39 4.087 -14.236 -34.243 1.00 4.00 C ATOM 634 O GLN A 39 5.170 -14.832 -34.357 1.00 60.00 O ATOM 635 CB GLN A 39 3.942 -13.388 -31.851 1.00 73.00 C ATOM 636 CG GLN A 39 4.119 -11.904 -32.174 1.00 13.00 C ATOM 637 CD GLN A 39 5.539 -11.518 -32.559 1.00 54.00 C ATOM 638 OE1 GLN A 39 6.297 -12.301 -33.117 1.00 61.00 O ATOM 639 NE2 GLN A 39 5.910 -10.311 -32.241 1.00 21.00 N ATOM 0 H GLN A 39 3.805 -15.868 -31.808 1.00 1.00 H new ATOM 0 HA GLN A 39 2.345 -13.790 -33.178 1.00 60.00 H new ATOM 0 HB2 GLN A 39 3.325 -13.474 -30.957 1.00 73.00 H new ATOM 0 HB3 GLN A 39 4.918 -13.806 -31.606 1.00 73.00 H new ATOM 0 HG2 GLN A 39 3.448 -11.638 -32.990 1.00 13.00 H new ATOM 0 HG3 GLN A 39 3.816 -11.316 -31.308 1.00 13.00 H new ATOM 0 HE21 GLN A 39 5.255 -9.682 -31.777 1.00 21.00 H new ATOM 0 HE22 GLN A 39 6.855 -9.995 -32.456 1.00 21.00 H new ATOM 648 N GLY A 40 3.479 -13.662 -35.214 1.00 30.00 N ATOM 649 CA GLY A 40 4.078 -13.537 -36.503 1.00 71.00 C ATOM 650 C GLY A 40 4.379 -12.109 -36.816 1.00 21.00 C ATOM 651 O GLY A 40 4.963 -11.405 -35.993 1.00 61.00 O ATOM 0 H GLY A 40 2.544 -13.260 -35.143 1.00 30.00 H new ATOM 0 HA2 GLY A 40 4.997 -14.123 -36.540 1.00 71.00 H new ATOM 0 HA3 GLY A 40 3.409 -13.946 -37.260 1.00 71.00 H new ATOM 655 N ILE A 41 3.963 -11.655 -37.966 1.00 33.00 N ATOM 656 CA ILE A 41 4.215 -10.288 -38.360 1.00 33.00 C ATOM 657 C ILE A 41 3.125 -9.418 -37.782 1.00 33.00 C ATOM 658 O ILE A 41 1.982 -9.470 -38.223 1.00 4.00 O ATOM 659 CB ILE A 41 4.288 -10.068 -39.916 1.00 14.00 C ATOM 660 CG1 ILE A 41 5.476 -10.822 -40.574 1.00 22.00 C ATOM 661 CG2 ILE A 41 4.384 -8.579 -40.233 1.00 61.00 C ATOM 662 CD1 ILE A 41 5.346 -12.338 -40.633 1.00 63.00 C ATOM 0 H ILE A 41 3.447 -12.208 -38.650 1.00 33.00 H new ATOM 0 HA ILE A 41 5.199 -10.022 -37.974 1.00 33.00 H new ATOM 0 HB ILE A 41 3.370 -10.480 -40.336 1.00 14.00 H new ATOM 0 HG12 ILE A 41 5.602 -10.447 -41.590 1.00 22.00 H new ATOM 0 HG13 ILE A 41 6.386 -10.575 -40.028 1.00 22.00 H new ATOM 0 HG21 ILE A 41 4.434 -8.439 -41.313 1.00 61.00 H new ATOM 0 HG22 ILE A 41 3.506 -8.066 -39.841 1.00 61.00 H new ATOM 0 HG23 ILE A 41 5.281 -8.166 -39.772 1.00 61.00 H new ATOM 0 HD11 ILE A 41 6.230 -12.761 -41.111 1.00 63.00 H new ATOM 0 HD12 ILE A 41 5.256 -12.735 -39.622 1.00 63.00 H new ATOM 0 HD13 ILE A 41 4.460 -12.605 -41.208 1.00 63.00 H new ATOM 674 N SER A 42 3.458 -8.665 -36.791 1.00 43.00 N ATOM 675 CA SER A 42 2.505 -7.839 -36.138 1.00 53.00 C ATOM 676 C SER A 42 2.536 -6.415 -36.699 1.00 40.00 C ATOM 677 O SER A 42 3.604 -5.900 -37.082 1.00 70.00 O ATOM 678 CB SER A 42 2.800 -7.854 -34.660 1.00 53.00 C ATOM 679 OG SER A 42 2.832 -9.200 -34.172 1.00 23.00 O ATOM 0 H SER A 42 4.402 -8.605 -36.410 1.00 43.00 H new ATOM 0 HA SER A 42 1.500 -8.223 -36.313 1.00 53.00 H new ATOM 0 HB2 SER A 42 3.757 -7.368 -34.468 1.00 53.00 H new ATOM 0 HB3 SER A 42 2.040 -7.284 -34.125 1.00 53.00 H new ATOM 0 HG SER A 42 3.453 -9.259 -33.417 1.00 23.00 H new ATOM 685 N ALA A 43 1.372 -5.809 -36.791 1.00 71.00 N ATOM 686 CA ALA A 43 1.234 -4.475 -37.256 1.00 31.00 C ATOM 687 C ALA A 43 0.198 -3.717 -36.429 1.00 31.00 C ATOM 688 O ALA A 43 0.414 -2.577 -36.034 1.00 21.00 O ATOM 689 CB ALA A 43 0.895 -4.435 -38.737 1.00 61.00 C ATOM 0 H ALA A 43 0.488 -6.251 -36.536 1.00 71.00 H new ATOM 0 HA ALA A 43 2.195 -3.977 -37.130 1.00 31.00 H new ATOM 0 HB1 ALA A 43 0.797 -3.399 -39.060 1.00 61.00 H new ATOM 0 HB2 ALA A 43 1.690 -4.918 -39.305 1.00 61.00 H new ATOM 0 HB3 ALA A 43 -0.045 -4.960 -38.909 1.00 61.00 H new ATOM 695 N SER A 44 -0.918 -4.362 -36.159 1.00 22.00 N ATOM 696 CA SER A 44 -1.986 -3.750 -35.390 1.00 73.00 C ATOM 697 C SER A 44 -1.754 -3.929 -33.880 1.00 11.00 C ATOM 698 O SER A 44 -2.461 -3.352 -33.054 1.00 52.00 O ATOM 699 CB SER A 44 -3.312 -4.391 -35.794 1.00 45.00 C ATOM 700 OG SER A 44 -3.453 -4.402 -37.209 1.00 61.00 O ATOM 0 H SER A 44 -1.111 -5.316 -36.462 1.00 22.00 H new ATOM 0 HA SER A 44 -2.007 -2.680 -35.599 1.00 73.00 H new ATOM 0 HB2 SER A 44 -3.361 -5.410 -35.410 1.00 45.00 H new ATOM 0 HB3 SER A 44 -4.139 -3.841 -35.345 1.00 45.00 H new ATOM 0 HG SER A 44 -4.307 -4.818 -37.449 1.00 61.00 H new ATOM 706 N GLY A 45 -0.770 -4.716 -33.530 1.00 23.00 N ATOM 707 CA GLY A 45 -0.485 -5.014 -32.149 1.00 42.00 C ATOM 708 C GLY A 45 0.566 -6.070 -32.081 1.00 62.00 C ATOM 709 O GLY A 45 1.670 -5.888 -32.581 1.00 3.00 O ATOM 0 H GLY A 45 -0.143 -5.169 -34.194 1.00 23.00 H new ATOM 0 HA2 GLY A 45 -0.148 -4.115 -31.633 1.00 42.00 H new ATOM 0 HA3 GLY A 45 -1.390 -5.352 -31.643 1.00 42.00 H new ATOM 713 N ALA A 46 0.203 -7.177 -31.536 1.00 54.00 N ATOM 714 CA ALA A 46 1.015 -8.320 -31.427 1.00 65.00 C ATOM 715 C ALA A 46 0.085 -9.409 -31.758 1.00 62.00 C ATOM 716 O ALA A 46 -0.930 -9.588 -31.072 1.00 73.00 O ATOM 717 CB ALA A 46 1.536 -8.471 -30.014 1.00 65.00 C ATOM 0 H ALA A 46 -0.725 -7.309 -31.133 1.00 54.00 H new ATOM 0 HA ALA A 46 1.896 -8.292 -32.069 1.00 65.00 H new ATOM 0 HB1 ALA A 46 2.162 -9.361 -29.950 1.00 65.00 H new ATOM 0 HB2 ALA A 46 2.125 -7.593 -29.748 1.00 65.00 H new ATOM 0 HB3 ALA A 46 0.697 -8.568 -29.325 1.00 65.00 H new ATOM 723 N ARG A 47 0.328 -10.085 -32.810 1.00 32.00 N ATOM 724 CA ARG A 47 -0.638 -11.007 -33.232 1.00 20.00 C ATOM 725 C ARG A 47 -0.156 -12.419 -33.047 1.00 73.00 C ATOM 726 O ARG A 47 0.886 -12.797 -33.547 1.00 4.00 O ATOM 727 CB ARG A 47 -1.087 -10.767 -34.678 1.00 71.00 C ATOM 728 CG ARG A 47 0.017 -10.906 -35.712 1.00 30.00 C ATOM 729 CD ARG A 47 -0.543 -10.875 -37.107 1.00 15.00 C ATOM 730 NE ARG A 47 -1.473 -11.978 -37.360 1.00 34.00 N ATOM 731 CZ ARG A 47 -2.273 -12.054 -38.420 1.00 40.00 C ATOM 732 NH1 ARG A 47 -2.198 -11.135 -39.379 1.00 63.00 N ATOM 733 NH2 ARG A 47 -3.134 -13.057 -38.525 1.00 52.00 N ATOM 0 H ARG A 47 1.169 -10.019 -33.383 1.00 32.00 H new ATOM 0 HA ARG A 47 -1.513 -10.855 -32.599 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -1.884 -11.471 -34.919 1.00 71.00 H new ATOM 0 HB3 ARG A 47 -1.512 -9.766 -34.752 1.00 71.00 H new ATOM 0 HG2 ARG A 47 0.739 -10.099 -35.588 1.00 30.00 H new ATOM 0 HG3 ARG A 47 0.554 -11.841 -35.553 1.00 30.00 H new ATOM 0 HD2 ARG A 47 -1.056 -9.927 -37.269 1.00 15.00 H new ATOM 0 HD3 ARG A 47 0.276 -10.921 -37.825 1.00 15.00 H new ATOM 0 HE ARG A 47 -1.510 -12.737 -36.679 1.00 34.00 H new ATOM 0 HH11 ARG A 47 -1.527 -10.371 -39.302 1.00 63.00 H new ATOM 0 HH12 ARG A 47 -2.812 -11.194 -40.191 1.00 63.00 H new ATOM 0 HH21 ARG A 47 -3.181 -13.767 -37.794 1.00 52.00 H new ATOM 0 HH22 ARG A 47 -3.749 -13.118 -39.336 1.00 52.00 H new ATOM 747 N TYR A 48 -0.893 -13.154 -32.312 1.00 75.00 N ATOM 748 CA TYR A 48 -0.656 -14.533 -32.088 1.00 52.00 C ATOM 749 C TYR A 48 -1.736 -15.248 -32.823 1.00 32.00 C ATOM 750 O TYR A 48 -2.885 -15.142 -32.491 1.00 3.00 O ATOM 751 CB TYR A 48 -0.714 -14.833 -30.592 1.00 71.00 C ATOM 752 CG TYR A 48 0.255 -14.010 -29.753 1.00 44.00 C ATOM 753 CD1 TYR A 48 -0.105 -12.754 -29.272 1.00 4.00 C ATOM 754 CD2 TYR A 48 1.521 -14.486 -29.442 1.00 45.00 C ATOM 755 CE1 TYR A 48 0.762 -12.002 -28.515 1.00 41.00 C ATOM 756 CE2 TYR A 48 2.397 -13.734 -28.678 1.00 4.00 C ATOM 757 CZ TYR A 48 2.009 -12.491 -28.219 1.00 42.00 C ATOM 758 OH TYR A 48 2.875 -11.732 -27.462 1.00 12.00 O ATOM 0 H TYR A 48 -1.717 -12.800 -31.825 1.00 75.00 H new ATOM 0 HA TYR A 48 0.328 -14.847 -32.435 1.00 52.00 H new ATOM 0 HB2 TYR A 48 -1.728 -14.654 -30.236 1.00 71.00 H new ATOM 0 HB3 TYR A 48 -0.504 -15.891 -30.436 1.00 71.00 H new ATOM 0 HD1 TYR A 48 -1.086 -12.362 -29.498 1.00 4.00 H new ATOM 0 HD2 TYR A 48 1.827 -15.457 -29.801 1.00 45.00 H new ATOM 0 HE1 TYR A 48 0.462 -11.029 -28.154 1.00 41.00 H new ATOM 0 HE2 TYR A 48 3.379 -14.118 -28.442 1.00 4.00 H new ATOM 0 HH TYR A 48 2.363 -11.166 -26.847 1.00 12.00 H new ATOM 768 N THR A 49 -1.406 -15.903 -33.862 1.00 22.00 N ATOM 769 CA THR A 49 -2.424 -16.529 -34.649 1.00 5.00 C ATOM 770 C THR A 49 -2.011 -17.922 -35.014 1.00 53.00 C ATOM 771 O THR A 49 -0.819 -18.208 -35.175 1.00 74.00 O ATOM 772 CB THR A 49 -2.731 -15.696 -35.916 1.00 32.00 C ATOM 773 OG1 THR A 49 -3.094 -14.355 -35.553 1.00 34.00 O ATOM 774 CG2 THR A 49 -3.834 -16.312 -36.775 1.00 45.00 C ATOM 0 H THR A 49 -0.451 -16.028 -34.198 1.00 22.00 H new ATOM 0 HA THR A 49 -3.337 -16.582 -34.056 1.00 5.00 H new ATOM 0 HB THR A 49 -1.820 -15.687 -36.514 1.00 32.00 H new ATOM 0 HG1 THR A 49 -2.306 -13.885 -35.209 1.00 34.00 H new ATOM 0 HG21 THR A 49 -4.007 -15.685 -37.650 1.00 45.00 H new ATOM 0 HG22 THR A 49 -3.531 -17.308 -37.097 1.00 45.00 H new ATOM 0 HG23 THR A 49 -4.752 -16.383 -36.192 1.00 45.00 H new ATOM 782 N ASP A 50 -2.975 -18.794 -35.046 1.00 3.00 N ATOM 783 CA ASP A 50 -2.752 -20.148 -35.468 1.00 33.00 C ATOM 784 C ASP A 50 -3.533 -20.432 -36.729 1.00 32.00 C ATOM 785 O ASP A 50 -2.996 -20.945 -37.707 1.00 62.00 O ATOM 786 CB ASP A 50 -3.141 -21.147 -34.384 1.00 10.00 C ATOM 787 CG ASP A 50 -3.199 -22.557 -34.914 1.00 2.00 C ATOM 788 OD1 ASP A 50 -2.143 -23.156 -35.192 1.00 53.00 O ATOM 789 OD2 ASP A 50 -4.309 -23.065 -35.124 1.00 45.00 O ATOM 0 H ASP A 50 -3.938 -18.588 -34.781 1.00 3.00 H new ATOM 0 HA ASP A 50 -1.686 -20.263 -35.663 1.00 33.00 H new ATOM 0 HB2 ASP A 50 -2.421 -21.095 -33.567 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -4.112 -20.874 -33.970 1.00 10.00 H new ATOM 794 N GLY A 51 -4.782 -20.052 -36.707 1.00 73.00 N ATOM 795 CA GLY A 51 -5.670 -20.317 -37.803 1.00 70.00 C ATOM 796 C GLY A 51 -7.037 -20.571 -37.265 1.00 55.00 C ATOM 797 O GLY A 51 -8.031 -20.116 -37.825 1.00 64.00 O ATOM 0 H GLY A 51 -5.211 -19.551 -35.929 1.00 73.00 H new ATOM 0 HA2 GLY A 51 -5.686 -19.470 -38.489 1.00 70.00 H new ATOM 0 HA3 GLY A 51 -5.322 -21.180 -38.370 1.00 70.00 H new ATOM 801 N ILE A 52 -7.072 -21.250 -36.119 1.00 22.00 N ATOM 802 CA ILE A 52 -8.304 -21.543 -35.408 1.00 12.00 C ATOM 803 C ILE A 52 -8.945 -20.218 -35.066 1.00 70.00 C ATOM 804 O ILE A 52 -10.084 -19.955 -35.403 1.00 61.00 O ATOM 805 CB ILE A 52 -8.022 -22.351 -34.105 1.00 40.00 C ATOM 806 CG1 ILE A 52 -7.306 -23.683 -34.416 1.00 43.00 C ATOM 807 CG2 ILE A 52 -9.305 -22.608 -33.331 1.00 4.00 C ATOM 808 CD1 ILE A 52 -8.082 -24.629 -35.311 1.00 71.00 C ATOM 0 H ILE A 52 -6.237 -21.613 -35.659 1.00 22.00 H new ATOM 0 HA ILE A 52 -8.961 -22.151 -36.030 1.00 12.00 H new ATOM 0 HB ILE A 52 -7.362 -21.747 -33.483 1.00 40.00 H new ATOM 0 HG12 ILE A 52 -6.348 -23.463 -34.888 1.00 43.00 H new ATOM 0 HG13 ILE A 52 -7.089 -24.191 -33.476 1.00 43.00 H new ATOM 0 HG21 ILE A 52 -9.078 -23.173 -32.427 1.00 4.00 H new ATOM 0 HG22 ILE A 52 -9.762 -21.657 -33.059 1.00 4.00 H new ATOM 0 HG23 ILE A 52 -9.996 -23.178 -33.951 1.00 4.00 H new ATOM 0 HD11 ILE A 52 -7.500 -25.536 -35.473 1.00 71.00 H new ATOM 0 HD12 ILE A 52 -9.029 -24.886 -34.835 1.00 71.00 H new ATOM 0 HD13 ILE A 52 -8.276 -24.146 -36.269 1.00 71.00 H new ATOM 820 N TYR A 53 -8.174 -19.381 -34.438 1.00 1.00 N ATOM 821 CA TYR A 53 -8.548 -18.033 -34.187 1.00 73.00 C ATOM 822 C TYR A 53 -7.342 -17.167 -34.416 1.00 54.00 C ATOM 823 O TYR A 53 -6.200 -17.675 -34.549 1.00 53.00 O ATOM 824 CB TYR A 53 -9.069 -17.805 -32.767 1.00 4.00 C ATOM 825 CG TYR A 53 -10.323 -18.583 -32.422 1.00 22.00 C ATOM 826 CD1 TYR A 53 -11.530 -18.283 -33.027 1.00 14.00 C ATOM 827 CD2 TYR A 53 -10.295 -19.622 -31.509 1.00 41.00 C ATOM 828 CE1 TYR A 53 -12.673 -18.996 -32.743 1.00 32.00 C ATOM 829 CE2 TYR A 53 -11.438 -20.337 -31.213 1.00 62.00 C ATOM 830 CZ TYR A 53 -12.625 -20.023 -31.837 1.00 54.00 C ATOM 831 OH TYR A 53 -13.776 -20.745 -31.551 1.00 5.00 O ATOM 0 H TYR A 53 -7.251 -19.627 -34.081 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.366 -17.782 -34.863 1.00 73.00 H new ATOM 0 HB2 TYR A 53 -8.285 -18.073 -32.059 1.00 4.00 H new ATOM 0 HB3 TYR A 53 -9.269 -16.742 -32.634 1.00 4.00 H new ATOM 0 HD1 TYR A 53 -11.577 -17.471 -33.738 1.00 14.00 H new ATOM 0 HD2 TYR A 53 -9.366 -19.877 -31.021 1.00 41.00 H new ATOM 0 HE1 TYR A 53 -13.603 -18.747 -33.232 1.00 32.00 H new ATOM 0 HE2 TYR A 53 -11.402 -21.141 -30.493 1.00 62.00 H new ATOM 0 HH TYR A 53 -13.550 -21.693 -31.446 1.00 5.00 H new ATOM 841 N VAL A 54 -7.588 -15.912 -34.484 1.00 30.00 N ATOM 842 CA VAL A 54 -6.603 -14.890 -34.664 1.00 32.00 C ATOM 843 C VAL A 54 -6.574 -14.087 -33.373 1.00 61.00 C ATOM 844 O VAL A 54 -7.548 -13.411 -33.048 1.00 43.00 O ATOM 845 CB VAL A 54 -7.078 -13.976 -35.809 1.00 24.00 C ATOM 846 CG1 VAL A 54 -6.177 -12.752 -35.978 1.00 23.00 C ATOM 847 CG2 VAL A 54 -7.172 -14.748 -37.126 1.00 41.00 C ATOM 0 H VAL A 54 -8.535 -15.539 -34.412 1.00 30.00 H new ATOM 0 HA VAL A 54 -5.620 -15.299 -34.897 1.00 32.00 H new ATOM 0 HB VAL A 54 -8.072 -13.622 -35.538 1.00 24.00 H new ATOM 0 HG11 VAL A 54 -6.550 -12.136 -36.796 1.00 23.00 H new ATOM 0 HG12 VAL A 54 -6.177 -12.170 -35.056 1.00 23.00 H new ATOM 0 HG13 VAL A 54 -5.161 -13.076 -36.202 1.00 23.00 H new ATOM 0 HG21 VAL A 54 -7.510 -14.078 -37.917 1.00 41.00 H new ATOM 0 HG22 VAL A 54 -6.192 -15.149 -37.384 1.00 41.00 H new ATOM 0 HG23 VAL A 54 -7.882 -15.568 -37.017 1.00 41.00 H new ATOM 857 N PHE A 55 -5.516 -14.196 -32.622 1.00 42.00 N ATOM 858 CA PHE A 55 -5.445 -13.512 -31.345 1.00 22.00 C ATOM 859 C PHE A 55 -4.670 -12.232 -31.523 1.00 41.00 C ATOM 860 O PHE A 55 -3.549 -12.232 -32.051 1.00 72.00 O ATOM 861 CB PHE A 55 -4.796 -14.423 -30.278 1.00 60.00 C ATOM 862 CG PHE A 55 -4.787 -13.895 -28.866 1.00 41.00 C ATOM 863 CD1 PHE A 55 -3.794 -13.033 -28.428 1.00 33.00 C ATOM 864 CD2 PHE A 55 -5.769 -14.276 -27.977 1.00 50.00 C ATOM 865 CE1 PHE A 55 -3.789 -12.564 -27.132 1.00 13.00 C ATOM 866 CE2 PHE A 55 -5.770 -13.813 -26.684 1.00 30.00 C ATOM 867 CZ PHE A 55 -4.779 -12.956 -26.258 1.00 70.00 C ATOM 0 H PHE A 55 -4.691 -14.746 -32.862 1.00 42.00 H new ATOM 0 HA PHE A 55 -6.449 -13.272 -30.995 1.00 22.00 H new ATOM 0 HB2 PHE A 55 -5.317 -15.380 -30.282 1.00 60.00 H new ATOM 0 HB3 PHE A 55 -3.766 -14.620 -30.576 1.00 60.00 H new ATOM 0 HD1 PHE A 55 -3.015 -12.725 -29.110 1.00 33.00 H new ATOM 0 HD2 PHE A 55 -6.549 -14.948 -28.302 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -3.011 -11.891 -26.803 1.00 13.00 H new ATOM 0 HE2 PHE A 55 -6.548 -14.121 -26.001 1.00 30.00 H new ATOM 0 HZ PHE A 55 -4.778 -12.592 -25.241 1.00 70.00 H new ATOM 877 N TRP A 56 -5.245 -11.168 -31.090 1.00 12.00 N ATOM 878 CA TRP A 56 -4.671 -9.895 -31.221 1.00 2.00 C ATOM 879 C TRP A 56 -4.499 -9.286 -29.867 1.00 4.00 C ATOM 880 O TRP A 56 -5.451 -9.083 -29.104 1.00 30.00 O ATOM 881 CB TRP A 56 -5.493 -9.021 -32.173 1.00 0.00 C ATOM 882 CG TRP A 56 -5.081 -7.572 -32.251 1.00 0.00 C ATOM 883 CD1 TRP A 56 -3.823 -7.057 -32.146 1.00 24.00 C ATOM 884 CD2 TRP A 56 -5.949 -6.455 -32.492 1.00 31.00 C ATOM 885 NE1 TRP A 56 -3.867 -5.696 -32.244 1.00 3.00 N ATOM 886 CE2 TRP A 56 -5.155 -5.302 -32.477 1.00 10.00 C ATOM 887 CE3 TRP A 56 -7.323 -6.322 -32.709 1.00 20.00 C ATOM 888 CZ2 TRP A 56 -5.686 -4.028 -32.669 1.00 12.00 C ATOM 889 CZ3 TRP A 56 -7.848 -5.060 -32.902 1.00 53.00 C ATOM 890 CH2 TRP A 56 -7.031 -3.929 -32.881 1.00 61.00 C ATOM 0 H TRP A 56 -6.152 -11.168 -30.623 1.00 12.00 H new ATOM 0 HA TRP A 56 -3.682 -9.979 -31.671 1.00 2.00 H new ATOM 0 HB2 TRP A 56 -5.434 -9.451 -33.173 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.538 -9.066 -31.867 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.924 -7.640 -32.006 1.00 24.00 H new ATOM 0 HE1 TRP A 56 -3.065 -5.072 -32.157 1.00 3.00 H new ATOM 0 HE3 TRP A 56 -7.963 -7.192 -32.725 1.00 20.00 H new ATOM 0 HZ2 TRP A 56 -5.056 -3.151 -32.651 1.00 12.00 H new ATOM 0 HZ3 TRP A 56 -8.908 -4.946 -33.072 1.00 53.00 H new ATOM 0 HH2 TRP A 56 -7.472 -2.955 -33.036 1.00 61.00 H new ATOM 901 N SER A 57 -3.296 -9.032 -29.585 1.00 2.00 N ATOM 902 CA SER A 57 -2.891 -8.456 -28.368 1.00 31.00 C ATOM 903 C SER A 57 -2.470 -7.052 -28.678 1.00 40.00 C ATOM 904 O SER A 57 -1.626 -6.827 -29.542 1.00 12.00 O ATOM 905 CB SER A 57 -1.713 -9.250 -27.779 1.00 1.00 C ATOM 906 OG SER A 57 -1.300 -8.737 -26.516 1.00 43.00 O ATOM 0 H SER A 57 -2.523 -9.226 -30.221 1.00 2.00 H new ATOM 0 HA SER A 57 -3.698 -8.468 -27.635 1.00 31.00 H new ATOM 0 HB2 SER A 57 -2.000 -10.296 -27.669 1.00 1.00 H new ATOM 0 HB3 SER A 57 -0.874 -9.221 -28.474 1.00 1.00 H new ATOM 0 HG SER A 57 -0.551 -9.270 -26.175 1.00 43.00 H new ATOM 912 N LYS A 58 -3.092 -6.107 -28.062 1.00 42.00 N ATOM 913 CA LYS A 58 -2.698 -4.746 -28.261 1.00 61.00 C ATOM 914 C LYS A 58 -1.587 -4.392 -27.255 1.00 73.00 C ATOM 915 O LYS A 58 -0.869 -3.391 -27.403 1.00 0.00 O ATOM 916 CB LYS A 58 -3.907 -3.822 -28.109 1.00 32.00 C ATOM 917 CG LYS A 58 -3.645 -2.399 -28.535 1.00 1.00 C ATOM 918 CD LYS A 58 -3.342 -2.321 -30.008 1.00 55.00 C ATOM 919 CE LYS A 58 -2.998 -0.914 -30.411 1.00 44.00 C ATOM 920 NZ LYS A 58 -2.653 -0.830 -31.831 1.00 74.00 N ATOM 0 H LYS A 58 -3.872 -6.245 -27.419 1.00 42.00 H new ATOM 0 HA LYS A 58 -2.308 -4.613 -29.270 1.00 61.00 H new ATOM 0 HB2 LYS A 58 -4.733 -4.221 -28.697 1.00 32.00 H new ATOM 0 HB3 LYS A 58 -4.227 -3.826 -27.067 1.00 32.00 H new ATOM 0 HG2 LYS A 58 -4.514 -1.782 -28.306 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -2.808 -1.994 -27.966 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -2.512 -2.986 -30.248 1.00 55.00 H new ATOM 0 HD3 LYS A 58 -4.203 -2.667 -30.579 1.00 55.00 H new ATOM 0 HE2 LYS A 58 -3.843 -0.258 -30.202 1.00 44.00 H new ATOM 0 HE3 LYS A 58 -2.161 -0.557 -29.811 1.00 44.00 H new ATOM 0 HZ1 LYS A 58 -1.681 -0.473 -31.932 1.00 74.00 H new ATOM 0 HZ2 LYS A 58 -2.721 -1.774 -32.261 1.00 74.00 H new ATOM 0 HZ3 LYS A 58 -3.311 -0.183 -32.310 1.00 74.00 H new ATOM 934 N GLY A 59 -1.430 -5.260 -26.274 1.00 61.00 N ATOM 935 CA GLY A 59 -0.473 -5.064 -25.212 1.00 63.00 C ATOM 936 C GLY A 59 -1.166 -5.159 -23.886 1.00 23.00 C ATOM 937 O GLY A 59 -0.737 -5.883 -22.977 1.00 42.00 O ATOM 0 H GLY A 59 -1.967 -6.124 -26.195 1.00 61.00 H new ATOM 0 HA2 GLY A 59 0.315 -5.814 -25.276 1.00 63.00 H new ATOM 0 HA3 GLY A 59 0.005 -4.090 -25.315 1.00 63.00 H new ATOM 941 N ASP A 60 -2.245 -4.432 -23.778 1.00 40.00 N ATOM 942 CA ASP A 60 -3.076 -4.445 -22.590 1.00 4.00 C ATOM 943 C ASP A 60 -4.468 -4.893 -22.936 1.00 55.00 C ATOM 944 O ASP A 60 -5.256 -5.198 -22.075 1.00 20.00 O ATOM 945 CB ASP A 60 -3.123 -3.074 -21.905 1.00 61.00 C ATOM 946 CG ASP A 60 -1.789 -2.653 -21.366 1.00 14.00 C ATOM 947 OD1 ASP A 60 -1.413 -3.090 -20.270 1.00 71.00 O ATOM 948 OD2 ASP A 60 -1.066 -1.886 -22.044 1.00 51.00 O ATOM 0 H ASP A 60 -2.580 -3.808 -24.512 1.00 40.00 H new ATOM 0 HA ASP A 60 -2.629 -5.149 -21.888 1.00 4.00 H new ATOM 0 HB2 ASP A 60 -3.475 -2.328 -22.617 1.00 61.00 H new ATOM 0 HB3 ASP A 60 -3.847 -3.103 -21.091 1.00 61.00 H new ATOM 953 N GLU A 61 -4.769 -4.952 -24.199 1.00 23.00 N ATOM 954 CA GLU A 61 -6.058 -5.394 -24.630 1.00 13.00 C ATOM 955 C GLU A 61 -5.868 -6.656 -25.368 1.00 3.00 C ATOM 956 O GLU A 61 -4.927 -6.776 -26.160 1.00 33.00 O ATOM 957 CB GLU A 61 -6.745 -4.372 -25.522 1.00 34.00 C ATOM 958 CG GLU A 61 -6.882 -3.017 -24.888 1.00 2.00 C ATOM 959 CD GLU A 61 -7.729 -2.091 -25.697 1.00 32.00 C ATOM 960 OE1 GLU A 61 -8.962 -2.098 -25.529 1.00 41.00 O ATOM 961 OE2 GLU A 61 -7.174 -1.315 -26.503 1.00 51.00 O ATOM 0 H GLU A 61 -4.132 -4.697 -24.954 1.00 23.00 H new ATOM 0 HA GLU A 61 -6.699 -5.533 -23.760 1.00 13.00 H new ATOM 0 HB2 GLU A 61 -6.181 -4.275 -26.450 1.00 34.00 H new ATOM 0 HB3 GLU A 61 -7.735 -4.741 -25.788 1.00 34.00 H new ATOM 0 HG2 GLU A 61 -7.316 -3.127 -23.894 1.00 2.00 H new ATOM 0 HG3 GLU A 61 -5.893 -2.579 -24.757 1.00 2.00 H new ATOM 968 N ALA A 62 -6.700 -7.590 -25.114 1.00 61.00 N ATOM 969 CA ALA A 62 -6.595 -8.837 -25.737 1.00 31.00 C ATOM 970 C ALA A 62 -7.919 -9.194 -26.324 1.00 53.00 C ATOM 971 O ALA A 62 -8.950 -9.167 -25.635 1.00 41.00 O ATOM 972 CB ALA A 62 -6.150 -9.884 -24.751 1.00 43.00 C ATOM 0 H ALA A 62 -7.479 -7.504 -24.461 1.00 61.00 H new ATOM 0 HA ALA A 62 -5.848 -8.789 -26.529 1.00 31.00 H new ATOM 0 HB1 ALA A 62 -6.074 -10.848 -25.254 1.00 43.00 H new ATOM 0 HB2 ALA A 62 -5.177 -9.610 -24.343 1.00 43.00 H new ATOM 0 HB3 ALA A 62 -6.876 -9.953 -23.941 1.00 43.00 H new ATOM 978 N THR A 63 -7.906 -9.448 -27.570 1.00 21.00 N ATOM 979 CA THR A 63 -9.076 -9.855 -28.282 1.00 23.00 C ATOM 980 C THR A 63 -8.669 -11.018 -29.205 1.00 31.00 C ATOM 981 O THR A 63 -7.471 -11.228 -29.455 1.00 15.00 O ATOM 982 CB THR A 63 -9.673 -8.644 -29.077 1.00 4.00 C ATOM 983 OG1 THR A 63 -10.927 -8.959 -29.695 1.00 23.00 O ATOM 984 CG2 THR A 63 -8.721 -8.191 -30.132 1.00 42.00 C ATOM 0 H THR A 63 -7.069 -9.381 -28.150 1.00 21.00 H new ATOM 0 HA THR A 63 -9.859 -10.192 -27.603 1.00 23.00 H new ATOM 0 HB THR A 63 -9.839 -7.850 -28.349 1.00 4.00 H new ATOM 0 HG1 THR A 63 -11.451 -8.139 -29.809 1.00 23.00 H new ATOM 0 HG21 THR A 63 -9.152 -7.349 -30.674 1.00 42.00 H new ATOM 0 HG22 THR A 63 -7.784 -7.882 -29.668 1.00 42.00 H new ATOM 0 HG23 THR A 63 -8.530 -9.010 -30.826 1.00 42.00 H new ATOM 992 N VAL A 64 -9.618 -11.771 -29.673 1.00 33.00 N ATOM 993 CA VAL A 64 -9.342 -12.930 -30.478 1.00 52.00 C ATOM 994 C VAL A 64 -10.529 -13.253 -31.376 1.00 4.00 C ATOM 995 O VAL A 64 -11.620 -13.659 -30.919 1.00 53.00 O ATOM 996 CB VAL A 64 -8.876 -14.127 -29.609 1.00 0.00 C ATOM 997 CG1 VAL A 64 -9.801 -14.358 -28.452 1.00 32.00 C ATOM 998 CG2 VAL A 64 -8.689 -15.386 -30.423 1.00 24.00 C ATOM 0 H VAL A 64 -10.610 -11.601 -29.509 1.00 33.00 H new ATOM 0 HA VAL A 64 -8.505 -12.708 -31.140 1.00 52.00 H new ATOM 0 HB VAL A 64 -7.899 -13.862 -29.206 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.444 -15.204 -27.864 1.00 32.00 H new ATOM 0 HG12 VAL A 64 -9.829 -13.467 -27.825 1.00 32.00 H new ATOM 0 HG13 VAL A 64 -10.803 -14.571 -28.824 1.00 32.00 H new ATOM 0 HG21 VAL A 64 -8.362 -16.196 -29.771 1.00 24.00 H new ATOM 0 HG22 VAL A 64 -9.633 -15.658 -30.894 1.00 24.00 H new ATOM 0 HG23 VAL A 64 -7.936 -15.214 -31.192 1.00 24.00 H new ATOM 1008 N TYR A 65 -10.296 -13.084 -32.639 1.00 14.00 N ATOM 1009 CA TYR A 65 -11.316 -13.078 -33.635 1.00 65.00 C ATOM 1010 C TYR A 65 -10.922 -13.861 -34.878 1.00 13.00 C ATOM 1011 O TYR A 65 -9.942 -13.570 -35.518 1.00 75.00 O ATOM 1012 CB TYR A 65 -11.598 -11.568 -33.947 1.00 63.00 C ATOM 1013 CG TYR A 65 -11.745 -11.127 -35.412 1.00 23.00 C ATOM 1014 CD1 TYR A 65 -12.963 -11.172 -36.075 1.00 65.00 C ATOM 1015 CD2 TYR A 65 -10.644 -10.630 -36.109 1.00 71.00 C ATOM 1016 CE1 TYR A 65 -13.078 -10.747 -37.384 1.00 40.00 C ATOM 1017 CE2 TYR A 65 -10.755 -10.202 -37.412 1.00 14.00 C ATOM 1018 CZ TYR A 65 -11.969 -10.262 -38.045 1.00 75.00 C ATOM 1019 OH TYR A 65 -12.081 -9.828 -39.350 1.00 52.00 O ATOM 0 H TYR A 65 -9.359 -12.942 -33.016 1.00 14.00 H new ATOM 0 HA TYR A 65 -12.214 -13.580 -33.276 1.00 65.00 H new ATOM 0 HB2 TYR A 65 -12.514 -11.289 -33.425 1.00 63.00 H new ATOM 0 HB3 TYR A 65 -10.790 -10.984 -33.507 1.00 63.00 H new ATOM 0 HD1 TYR A 65 -13.835 -11.545 -35.559 1.00 65.00 H new ATOM 0 HD2 TYR A 65 -9.684 -10.580 -35.616 1.00 71.00 H new ATOM 0 HE1 TYR A 65 -14.032 -10.794 -37.888 1.00 40.00 H new ATOM 0 HE2 TYR A 65 -9.890 -9.821 -37.933 1.00 14.00 H new ATOM 0 HH TYR A 65 -11.208 -9.516 -39.667 1.00 52.00 H new ATOM 1029 N LYS A 66 -11.646 -14.909 -35.151 1.00 64.00 N ATOM 1030 CA LYS A 66 -11.615 -15.511 -36.414 1.00 45.00 C ATOM 1031 C LYS A 66 -12.670 -14.740 -37.127 1.00 51.00 C ATOM 1032 O LYS A 66 -13.635 -14.286 -36.491 1.00 21.00 O ATOM 1033 CB LYS A 66 -12.073 -16.984 -36.385 1.00 62.00 C ATOM 1034 CG LYS A 66 -12.044 -17.643 -37.765 1.00 0.00 C ATOM 1035 CD LYS A 66 -13.030 -18.798 -37.901 1.00 31.00 C ATOM 1036 CE LYS A 66 -12.617 -20.062 -37.150 1.00 60.00 C ATOM 1037 NZ LYS A 66 -11.417 -20.700 -37.743 1.00 24.00 N ATOM 0 H LYS A 66 -12.273 -15.359 -34.484 1.00 64.00 H new ATOM 0 HA LYS A 66 -10.614 -15.505 -36.845 1.00 45.00 H new ATOM 0 HB2 LYS A 66 -11.431 -17.546 -35.706 1.00 62.00 H new ATOM 0 HB3 LYS A 66 -13.085 -17.037 -35.984 1.00 62.00 H new ATOM 0 HG2 LYS A 66 -12.267 -16.893 -38.523 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.037 -18.009 -37.965 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.005 -18.474 -37.537 1.00 31.00 H new ATOM 0 HD3 LYS A 66 -13.148 -19.038 -38.958 1.00 31.00 H new ATOM 0 HE2 LYS A 66 -12.417 -19.814 -36.108 1.00 60.00 H new ATOM 0 HE3 LYS A 66 -13.444 -20.772 -37.155 1.00 60.00 H new ATOM 0 HZ1 LYS A 66 -11.606 -21.709 -37.909 1.00 24.00 H new ATOM 0 HZ2 LYS A 66 -11.188 -20.238 -38.646 1.00 24.00 H new ATOM 0 HZ3 LYS A 66 -10.613 -20.601 -37.091 1.00 24.00 H new ATOM 1051 N ARG A 67 -12.554 -14.611 -38.361 1.00 35.00 N ATOM 1052 CA ARG A 67 -13.514 -13.888 -39.122 1.00 63.00 C ATOM 1053 C ARG A 67 -14.640 -14.819 -39.476 1.00 62.00 C ATOM 1054 O ARG A 67 -14.695 -15.423 -40.543 1.00 23.00 O ATOM 1055 CB ARG A 67 -12.858 -13.175 -40.290 1.00 51.00 C ATOM 1056 CG ARG A 67 -13.756 -12.276 -41.149 1.00 14.00 C ATOM 1057 CD ARG A 67 -14.392 -13.050 -42.273 1.00 45.00 C ATOM 1058 NE ARG A 67 -13.381 -13.564 -43.208 1.00 73.00 N ATOM 1059 CZ ARG A 67 -13.542 -14.609 -44.022 1.00 15.00 C ATOM 1060 NH1 ARG A 67 -14.693 -15.256 -44.058 1.00 44.00 N ATOM 1061 NH2 ARG A 67 -12.537 -15.003 -44.792 1.00 12.00 N ATOM 0 H ARG A 67 -11.786 -15.001 -38.907 1.00 35.00 H new ATOM 0 HA ARG A 67 -13.955 -13.077 -38.542 1.00 63.00 H new ATOM 0 HB2 ARG A 67 -12.042 -12.566 -39.900 1.00 51.00 H new ATOM 0 HB3 ARG A 67 -12.412 -13.928 -40.939 1.00 51.00 H new ATOM 0 HG2 ARG A 67 -14.532 -11.832 -40.526 1.00 14.00 H new ATOM 0 HG3 ARG A 67 -13.167 -11.455 -41.558 1.00 14.00 H new ATOM 0 HD2 ARG A 67 -14.968 -13.880 -41.865 1.00 45.00 H new ATOM 0 HD3 ARG A 67 -15.092 -12.409 -42.808 1.00 45.00 H new ATOM 0 HE ARG A 67 -12.482 -13.082 -43.237 1.00 73.00 H new ATOM 0 HH11 ARG A 67 -15.465 -14.958 -43.462 1.00 44.00 H new ATOM 0 HH12 ARG A 67 -14.810 -16.054 -44.682 1.00 44.00 H new ATOM 0 HH21 ARG A 67 -11.646 -14.508 -44.760 1.00 12.00 H new ATOM 0 HH22 ARG A 67 -12.655 -15.801 -45.416 1.00 12.00 H new ATOM 1075 N ASP A 68 -15.375 -15.050 -38.441 1.00 31.00 N ATOM 1076 CA ASP A 68 -16.591 -15.858 -38.362 1.00 71.00 C ATOM 1077 C ASP A 68 -16.917 -16.087 -36.909 1.00 60.00 C ATOM 1078 O ASP A 68 -18.082 -16.112 -36.506 1.00 70.00 O ATOM 1079 CB ASP A 68 -16.476 -17.223 -39.068 1.00 12.00 C ATOM 1080 CG ASP A 68 -17.766 -18.021 -39.016 1.00 54.00 C ATOM 1081 OD1 ASP A 68 -18.689 -17.740 -39.813 1.00 12.00 O ATOM 1082 OD2 ASP A 68 -17.877 -18.945 -38.186 1.00 51.00 O ATOM 0 H ASP A 68 -15.135 -14.650 -37.534 1.00 31.00 H new ATOM 0 HA ASP A 68 -17.377 -15.305 -38.877 1.00 71.00 H new ATOM 0 HB2 ASP A 68 -16.193 -17.066 -40.109 1.00 12.00 H new ATOM 0 HB3 ASP A 68 -15.677 -17.801 -38.604 1.00 12.00 H new ATOM 1087 N ARG A 69 -15.882 -16.162 -36.098 1.00 13.00 N ATOM 1088 CA ARG A 69 -16.055 -16.483 -34.712 1.00 11.00 C ATOM 1089 C ARG A 69 -15.000 -15.824 -33.828 1.00 73.00 C ATOM 1090 O ARG A 69 -13.824 -16.171 -33.847 1.00 74.00 O ATOM 1091 CB ARG A 69 -16.072 -18.005 -34.500 1.00 54.00 C ATOM 1092 CG ARG A 69 -16.342 -18.446 -33.061 1.00 41.00 C ATOM 1093 CD ARG A 69 -17.692 -17.944 -32.556 1.00 21.00 C ATOM 1094 NE ARG A 69 -18.812 -18.354 -33.417 1.00 43.00 N ATOM 1095 CZ ARG A 69 -20.077 -17.910 -33.300 1.00 55.00 C ATOM 1096 NH1 ARG A 69 -20.415 -17.061 -32.325 1.00 14.00 N ATOM 1097 NH2 ARG A 69 -20.997 -18.324 -34.158 1.00 62.00 N ATOM 0 H ARG A 69 -14.915 -16.004 -36.383 1.00 13.00 H new ATOM 0 HA ARG A 69 -17.022 -16.079 -34.410 1.00 11.00 H new ATOM 0 HB2 ARG A 69 -16.833 -18.440 -35.148 1.00 54.00 H new ATOM 0 HB3 ARG A 69 -15.112 -18.413 -34.817 1.00 54.00 H new ATOM 0 HG2 ARG A 69 -16.315 -19.534 -33.004 1.00 41.00 H new ATOM 0 HG3 ARG A 69 -15.550 -18.073 -32.412 1.00 41.00 H new ATOM 0 HD2 ARG A 69 -17.860 -18.320 -31.547 1.00 21.00 H new ATOM 0 HD3 ARG A 69 -17.669 -16.856 -32.492 1.00 21.00 H new ATOM 0 HE ARG A 69 -18.615 -19.026 -34.159 1.00 43.00 H new ATOM 0 HH11 ARG A 69 -19.711 -16.742 -31.659 1.00 14.00 H new ATOM 0 HH12 ARG A 69 -21.377 -16.731 -32.247 1.00 14.00 H new ATOM 0 HH21 ARG A 69 -20.745 -18.975 -34.901 1.00 62.00 H new ATOM 0 HH22 ARG A 69 -21.958 -17.992 -34.075 1.00 62.00 H new ATOM 1111 N ILE A 70 -15.436 -14.841 -33.141 1.00 33.00 N ATOM 1112 CA ILE A 70 -14.710 -14.180 -32.103 1.00 64.00 C ATOM 1113 C ILE A 70 -15.071 -14.879 -30.838 1.00 61.00 C ATOM 1114 O ILE A 70 -16.244 -15.202 -30.606 1.00 15.00 O ATOM 1115 CB ILE A 70 -15.129 -12.684 -31.947 1.00 50.00 C ATOM 1116 CG1 ILE A 70 -15.036 -11.885 -33.244 1.00 22.00 C ATOM 1117 CG2 ILE A 70 -14.332 -11.987 -30.865 1.00 4.00 C ATOM 1118 CD1 ILE A 70 -16.184 -12.062 -34.223 1.00 34.00 C ATOM 0 H ILE A 70 -16.364 -14.444 -33.289 1.00 33.00 H new ATOM 0 HA ILE A 70 -13.645 -14.207 -32.336 1.00 64.00 H new ATOM 0 HB ILE A 70 -16.180 -12.716 -31.658 1.00 50.00 H new ATOM 0 HG12 ILE A 70 -14.961 -10.827 -32.991 1.00 22.00 H new ATOM 0 HG13 ILE A 70 -14.109 -12.158 -33.749 1.00 22.00 H new ATOM 0 HG21 ILE A 70 -14.654 -10.948 -30.788 1.00 4.00 H new ATOM 0 HG22 ILE A 70 -14.496 -12.489 -29.912 1.00 4.00 H new ATOM 0 HG23 ILE A 70 -13.272 -12.021 -31.115 1.00 4.00 H new ATOM 0 HD11 ILE A 70 -16.008 -11.446 -35.105 1.00 34.00 H new ATOM 0 HD12 ILE A 70 -16.252 -13.109 -34.519 1.00 34.00 H new ATOM 0 HD13 ILE A 70 -17.117 -11.758 -33.749 1.00 34.00 H new ATOM 1130 N VAL A 71 -14.108 -15.119 -30.049 1.00 13.00 N ATOM 1131 CA VAL A 71 -14.336 -15.774 -28.779 1.00 54.00 C ATOM 1132 C VAL A 71 -14.165 -14.821 -27.638 1.00 62.00 C ATOM 1133 O VAL A 71 -14.792 -14.974 -26.614 1.00 10.00 O ATOM 1134 CB VAL A 71 -13.557 -17.120 -28.584 1.00 51.00 C ATOM 1135 CG1 VAL A 71 -14.201 -18.201 -29.411 1.00 12.00 C ATOM 1136 CG2 VAL A 71 -12.093 -17.013 -28.983 1.00 40.00 C ATOM 0 H VAL A 71 -13.135 -14.879 -30.238 1.00 13.00 H new ATOM 0 HA VAL A 71 -15.380 -16.087 -28.792 1.00 54.00 H new ATOM 0 HB VAL A 71 -13.600 -17.360 -27.522 1.00 51.00 H new ATOM 0 HG11 VAL A 71 -13.658 -19.136 -29.274 1.00 12.00 H new ATOM 0 HG12 VAL A 71 -15.236 -18.333 -29.095 1.00 12.00 H new ATOM 0 HG13 VAL A 71 -14.176 -17.918 -30.463 1.00 12.00 H new ATOM 0 HG21 VAL A 71 -11.602 -17.974 -28.827 1.00 40.00 H new ATOM 0 HG22 VAL A 71 -12.022 -16.735 -30.035 1.00 40.00 H new ATOM 0 HG23 VAL A 71 -11.604 -16.253 -28.373 1.00 40.00 H new ATOM 1146 N LEU A 72 -13.377 -13.794 -27.852 1.00 25.00 N ATOM 1147 CA LEU A 72 -13.152 -12.756 -26.836 1.00 61.00 C ATOM 1148 C LEU A 72 -12.904 -11.470 -27.547 1.00 14.00 C ATOM 1149 O LEU A 72 -12.169 -11.456 -28.537 1.00 1.00 O ATOM 1150 CB LEU A 72 -11.953 -13.028 -25.870 1.00 43.00 C ATOM 1151 CG LEU A 72 -12.040 -14.205 -24.879 1.00 15.00 C ATOM 1152 CD1 LEU A 72 -11.749 -15.543 -25.524 1.00 74.00 C ATOM 1153 CD2 LEU A 72 -11.127 -13.985 -23.709 1.00 60.00 C ATOM 0 H LEU A 72 -12.870 -13.642 -28.724 1.00 25.00 H new ATOM 0 HA LEU A 72 -14.042 -12.736 -26.208 1.00 61.00 H new ATOM 0 HB2 LEU A 72 -11.065 -13.180 -26.484 1.00 43.00 H new ATOM 0 HB3 LEU A 72 -11.787 -12.121 -25.289 1.00 43.00 H new ATOM 0 HG LEU A 72 -13.072 -14.237 -24.531 1.00 15.00 H new ATOM 0 HD11 LEU A 72 -11.826 -16.332 -24.776 1.00 74.00 H new ATOM 0 HD12 LEU A 72 -12.470 -15.727 -26.321 1.00 74.00 H new ATOM 0 HD13 LEU A 72 -10.742 -15.535 -25.941 1.00 74.00 H new ATOM 0 HD21 LEU A 72 -11.205 -14.828 -23.023 1.00 60.00 H new ATOM 0 HD22 LEU A 72 -10.099 -13.898 -24.061 1.00 60.00 H new ATOM 0 HD23 LEU A 72 -11.412 -13.069 -23.192 1.00 60.00 H new ATOM 1165 N ASN A 73 -13.504 -10.404 -27.088 1.00 74.00 N ATOM 1166 CA ASN A 73 -13.343 -9.114 -27.758 1.00 52.00 C ATOM 1167 C ASN A 73 -13.189 -7.999 -26.769 1.00 5.00 C ATOM 1168 O ASN A 73 -13.157 -6.823 -27.136 1.00 43.00 O ATOM 1169 CB ASN A 73 -14.517 -8.816 -28.709 1.00 13.00 C ATOM 1170 CG ASN A 73 -15.843 -8.608 -27.987 1.00 22.00 C ATOM 1171 OD1 ASN A 73 -16.567 -9.560 -27.711 1.00 10.00 O ATOM 1172 ND2 ASN A 73 -16.192 -7.366 -27.720 1.00 63.00 N ATOM 0 H ASN A 73 -14.105 -10.389 -26.264 1.00 74.00 H new ATOM 0 HA ASN A 73 -12.431 -9.180 -28.351 1.00 52.00 H new ATOM 0 HB2 ASN A 73 -14.285 -7.925 -29.292 1.00 13.00 H new ATOM 0 HB3 ASN A 73 -14.621 -9.640 -29.415 1.00 13.00 H new ATOM 0 HD21 ASN A 73 -17.087 -7.173 -27.271 1.00 63.00 H new ATOM 0 HD22 ASN A 73 -15.567 -6.597 -27.962 1.00 63.00 H new ATOM 1179 N ASN A 74 -13.034 -8.355 -25.553 1.00 73.00 N ATOM 1180 CA ASN A 74 -12.973 -7.401 -24.488 1.00 24.00 C ATOM 1181 C ASN A 74 -12.370 -8.009 -23.270 1.00 33.00 C ATOM 1182 O ASN A 74 -13.049 -8.639 -22.451 1.00 64.00 O ATOM 1183 CB ASN A 74 -14.347 -6.768 -24.185 1.00 72.00 C ATOM 1184 CG ASN A 74 -14.341 -5.810 -22.985 1.00 43.00 C ATOM 1185 OD1 ASN A 74 -14.021 -4.629 -23.117 1.00 75.00 O ATOM 1186 ND2 ASN A 74 -14.746 -6.294 -21.832 1.00 2.00 N ATOM 0 H ASN A 74 -12.944 -9.326 -25.253 1.00 73.00 H new ATOM 0 HA ASN A 74 -12.327 -6.588 -24.819 1.00 24.00 H new ATOM 0 HB2 ASN A 74 -14.689 -6.227 -25.067 1.00 72.00 H new ATOM 0 HB3 ASN A 74 -15.069 -7.563 -23.999 1.00 72.00 H new ATOM 0 HD21 ASN A 74 -14.802 -5.686 -21.015 1.00 2.00 H new ATOM 0 HD22 ASN A 74 -15.005 -7.278 -21.754 1.00 2.00 H new ATOM 1193 N CYS A 75 -11.098 -7.924 -23.240 1.00 70.00 N ATOM 1194 CA CYS A 75 -10.308 -8.271 -22.113 1.00 52.00 C ATOM 1195 C CYS A 75 -9.237 -7.263 -22.059 1.00 31.00 C ATOM 1196 O CYS A 75 -8.581 -6.995 -23.081 1.00 22.00 O ATOM 1197 CB CYS A 75 -9.708 -9.673 -22.213 1.00 3.00 C ATOM 1198 SG CYS A 75 -10.890 -11.039 -22.009 1.00 35.00 S ATOM 0 H CYS A 75 -10.548 -7.596 -24.034 1.00 70.00 H new ATOM 0 HA CYS A 75 -10.924 -8.284 -21.214 1.00 52.00 H new ATOM 0 HB2 CYS A 75 -9.224 -9.775 -23.184 1.00 3.00 H new ATOM 0 HB3 CYS A 75 -8.929 -9.772 -21.457 1.00 3.00 H new ATOM 1203 N GLN A 76 -9.069 -6.669 -20.937 1.00 62.00 N ATOM 1204 CA GLN A 76 -8.115 -5.637 -20.789 1.00 74.00 C ATOM 1205 C GLN A 76 -7.332 -5.978 -19.624 1.00 64.00 C ATOM 1206 O GLN A 76 -7.719 -5.737 -18.484 1.00 63.00 O ATOM 1207 CB GLN A 76 -8.759 -4.271 -20.693 1.00 12.00 C ATOM 1208 CG GLN A 76 -9.429 -3.852 -21.986 1.00 1.00 C ATOM 1209 CD GLN A 76 -10.066 -2.489 -21.878 1.00 31.00 C ATOM 1210 OE1 GLN A 76 -10.517 -2.093 -20.799 1.00 14.00 O ATOM 1211 NE2 GLN A 76 -10.089 -1.746 -22.959 1.00 4.00 N ATOM 0 H GLN A 76 -9.593 -6.887 -20.090 1.00 62.00 H new ATOM 0 HA GLN A 76 -7.474 -5.564 -21.667 1.00 74.00 H new ATOM 0 HB2 GLN A 76 -9.497 -4.277 -19.891 1.00 12.00 H new ATOM 0 HB3 GLN A 76 -8.002 -3.534 -20.425 1.00 12.00 H new ATOM 0 HG2 GLN A 76 -8.693 -3.845 -22.790 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -10.188 -4.586 -22.255 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -9.707 -2.106 -23.834 1.00 4.00 H new ATOM 0 HE22 GLN A 76 -10.489 -0.808 -22.925 1.00 4.00 H new ATOM 1220 N LEU A 77 -6.220 -6.480 -19.948 1.00 65.00 N ATOM 1221 CA LEU A 77 -5.368 -7.202 -19.090 1.00 14.00 C ATOM 1222 C LEU A 77 -4.970 -6.429 -17.860 1.00 15.00 C ATOM 1223 O LEU A 77 -4.630 -5.244 -17.947 1.00 0.00 O ATOM 1224 CB LEU A 77 -4.148 -7.655 -19.896 1.00 43.00 C ATOM 1225 CG LEU A 77 -3.039 -8.412 -19.174 1.00 11.00 C ATOM 1226 CD1 LEU A 77 -3.577 -9.643 -18.510 1.00 2.00 C ATOM 1227 CD2 LEU A 77 -1.956 -8.776 -20.168 1.00 23.00 C ATOM 0 H LEU A 77 -5.844 -6.395 -20.892 1.00 65.00 H new ATOM 0 HA LEU A 77 -5.910 -8.069 -18.711 1.00 14.00 H new ATOM 0 HB2 LEU A 77 -4.504 -8.286 -20.710 1.00 43.00 H new ATOM 0 HB3 LEU A 77 -3.703 -6.769 -20.350 1.00 43.00 H new ATOM 0 HG LEU A 77 -2.619 -7.773 -18.397 1.00 11.00 H new ATOM 0 HD11 LEU A 77 -2.767 -10.166 -18.002 1.00 2.00 H new ATOM 0 HD12 LEU A 77 -4.339 -9.361 -17.783 1.00 2.00 H new ATOM 0 HD13 LEU A 77 -4.017 -10.299 -19.261 1.00 2.00 H new ATOM 0 HD21 LEU A 77 -1.160 -9.318 -19.657 1.00 23.00 H new ATOM 0 HD22 LEU A 77 -2.378 -9.405 -20.952 1.00 23.00 H new ATOM 0 HD23 LEU A 77 -1.549 -7.867 -20.612 1.00 23.00 H new ATOM 1239 N GLN A 78 -5.057 -7.088 -16.710 1.00 10.00 N ATOM 1240 CA GLN A 78 -4.591 -6.474 -15.496 1.00 32.00 C ATOM 1241 C GLN A 78 -3.071 -6.323 -15.622 1.00 71.00 C ATOM 1242 O GLN A 78 -2.532 -5.223 -15.489 1.00 63.00 O ATOM 1243 CB GLN A 78 -4.951 -7.319 -14.275 1.00 2.00 C ATOM 1244 CG GLN A 78 -6.434 -7.691 -14.144 1.00 51.00 C ATOM 1245 CD GLN A 78 -7.384 -6.503 -14.081 1.00 60.00 C ATOM 1246 OE1 GLN A 78 -7.665 -5.978 -13.002 1.00 22.00 O ATOM 1247 NE2 GLN A 78 -7.964 -6.145 -15.195 1.00 52.00 N ATOM 0 H GLN A 78 -5.439 -8.028 -16.604 1.00 10.00 H new ATOM 0 HA GLN A 78 -5.067 -5.503 -15.356 1.00 32.00 H new ATOM 0 HB2 GLN A 78 -4.365 -8.238 -14.305 1.00 2.00 H new ATOM 0 HB3 GLN A 78 -4.649 -6.778 -13.378 1.00 2.00 H new ATOM 0 HG2 GLN A 78 -6.714 -8.318 -14.991 1.00 51.00 H new ATOM 0 HG3 GLN A 78 -6.566 -8.292 -13.245 1.00 51.00 H new ATOM 0 HE21 GLN A 78 -7.709 -6.599 -16.072 1.00 52.00 H new ATOM 0 HE22 GLN A 78 -8.672 -5.411 -15.188 1.00 52.00 H new ATOM 1256 N ASN A 79 -2.408 -7.449 -15.914 1.00 3.00 N ATOM 1257 CA ASN A 79 -0.995 -7.544 -16.199 1.00 65.00 C ATOM 1258 C ASN A 79 -0.758 -9.017 -16.236 1.00 73.00 C ATOM 1259 O ASN A 79 -1.487 -9.738 -15.551 1.00 73.00 O ATOM 1260 CB ASN A 79 -0.125 -6.928 -15.073 1.00 64.00 C ATOM 1261 CG ASN A 79 1.340 -6.808 -15.457 1.00 24.00 C ATOM 1262 OD1 ASN A 79 1.753 -5.792 -16.017 1.00 3.00 O ATOM 1263 ND2 ASN A 79 2.133 -7.802 -15.169 1.00 4.00 N ATOM 0 H ASN A 79 -2.876 -8.354 -15.957 1.00 3.00 H new ATOM 0 HA ASN A 79 -0.732 -7.011 -17.113 1.00 65.00 H new ATOM 0 HB2 ASN A 79 -0.512 -5.940 -14.821 1.00 64.00 H new ATOM 0 HB3 ASN A 79 -0.211 -7.542 -14.177 1.00 64.00 H new ATOM 0 HD21 ASN A 79 3.123 -7.750 -15.408 1.00 4.00 H new ATOM 0 HD22 ASN A 79 1.763 -8.631 -14.705 1.00 4.00 H new ATOM 1270 N PRO A 80 0.138 -9.542 -17.057 1.00 55.00 N ATOM 1271 CA PRO A 80 0.435 -10.933 -16.984 1.00 4.00 C ATOM 1272 C PRO A 80 1.381 -11.208 -15.803 1.00 63.00 C ATOM 1273 O PRO A 80 1.341 -10.491 -14.781 1.00 12.00 O ATOM 1274 CB PRO A 80 1.079 -11.242 -18.338 1.00 55.00 C ATOM 1275 CG PRO A 80 1.699 -9.964 -18.763 1.00 72.00 C ATOM 1276 CD PRO A 80 0.884 -8.864 -18.142 1.00 55.00 C ATOM 0 HA PRO A 80 -0.438 -11.562 -16.807 1.00 4.00 H new ATOM 0 HB2 PRO A 80 1.824 -12.033 -18.250 1.00 55.00 H new ATOM 0 HB3 PRO A 80 0.337 -11.581 -19.061 1.00 55.00 H new ATOM 0 HG2 PRO A 80 2.737 -9.909 -18.435 1.00 72.00 H new ATOM 0 HG3 PRO A 80 1.703 -9.878 -19.850 1.00 72.00 H new ATOM 0 HD2 PRO A 80 1.518 -8.067 -17.753 1.00 55.00 H new ATOM 0 HD3 PRO A 80 0.209 -8.409 -18.867 1.00 55.00 H new ATOM 1284 N GLN A 81 2.211 -12.223 -15.924 1.00 74.00 N ATOM 1285 CA GLN A 81 3.181 -12.538 -14.922 1.00 20.00 C ATOM 1286 C GLN A 81 4.150 -11.379 -14.819 1.00 0.00 C ATOM 1287 O GLN A 81 4.558 -10.958 -13.733 1.00 31.00 O ATOM 1288 CB GLN A 81 3.886 -13.827 -15.331 1.00 5.00 C ATOM 1289 CG GLN A 81 5.016 -14.280 -14.457 1.00 2.00 C ATOM 1290 CD GLN A 81 4.590 -14.632 -13.053 1.00 51.00 C ATOM 1291 OE1 GLN A 81 4.613 -13.797 -12.148 1.00 43.00 O ATOM 1292 NE2 GLN A 81 4.179 -15.853 -12.864 1.00 54.00 N ATOM 0 H GLN A 81 2.224 -12.850 -16.728 1.00 74.00 H new ATOM 0 HA GLN A 81 2.722 -12.690 -13.945 1.00 20.00 H new ATOM 0 HB2 GLN A 81 3.144 -14.624 -15.369 1.00 5.00 H new ATOM 0 HB3 GLN A 81 4.268 -13.700 -16.344 1.00 5.00 H new ATOM 0 HG2 GLN A 81 5.491 -15.149 -14.912 1.00 2.00 H new ATOM 0 HG3 GLN A 81 5.768 -13.493 -14.413 1.00 2.00 H new ATOM 0 HE21 GLN A 81 4.175 -16.516 -13.639 1.00 54.00 H new ATOM 0 HE22 GLN A 81 3.861 -16.147 -11.940 1.00 54.00 H new ATOM 1301 N ARG A 82 4.422 -10.827 -15.955 1.00 25.00 N ATOM 1302 CA ARG A 82 5.320 -9.706 -16.121 1.00 51.00 C ATOM 1303 C ARG A 82 4.785 -8.757 -17.153 1.00 4.00 C ATOM 1304 O ARG A 82 4.374 -7.646 -16.768 1.00 61.00 O ATOM 1305 CB ARG A 82 6.756 -10.146 -16.445 1.00 33.00 C ATOM 1306 CG ARG A 82 7.424 -10.887 -15.301 1.00 4.00 C ATOM 1307 CD ARG A 82 7.565 -9.982 -14.077 1.00 60.00 C ATOM 1308 NE ARG A 82 8.027 -10.693 -12.884 1.00 15.00 N ATOM 1309 CZ ARG A 82 7.601 -10.441 -11.634 1.00 35.00 C ATOM 1310 NH1 ARG A 82 6.637 -9.546 -11.414 1.00 31.00 N ATOM 1311 NH2 ARG A 82 8.129 -11.093 -10.612 1.00 65.00 N ATOM 1312 OXT ARG A 82 4.704 -9.128 -18.333 1.00 12.00 O ATOM 0 H ARG A 82 4.015 -11.148 -16.833 1.00 25.00 H new ATOM 0 HA ARG A 82 5.372 -9.183 -15.166 1.00 51.00 H new ATOM 0 HB2 ARG A 82 6.743 -10.787 -17.327 1.00 33.00 H new ATOM 0 HB3 ARG A 82 7.350 -9.268 -16.698 1.00 33.00 H new ATOM 0 HG2 ARG A 82 6.838 -11.769 -15.041 1.00 4.00 H new ATOM 0 HG3 ARG A 82 8.407 -11.239 -15.614 1.00 4.00 H new ATOM 0 HD2 ARG A 82 8.264 -9.178 -14.306 1.00 60.00 H new ATOM 0 HD3 ARG A 82 6.603 -9.516 -13.865 1.00 60.00 H new ATOM 0 HE ARG A 82 8.720 -11.431 -13.010 1.00 15.00 H new ATOM 0 HH11 ARG A 82 6.217 -9.046 -12.198 1.00 31.00 H new ATOM 0 HH12 ARG A 82 6.320 -9.361 -10.462 1.00 31.00 H new ATOM 0 HH21 ARG A 82 8.859 -11.787 -10.772 1.00 65.00 H new ATOM 0 HH22 ARG A 82 7.806 -10.902 -9.664 1.00 65.00 H new TER 1326 ARG A 82