USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 65 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 175:sc= -0.0495 (180deg=-0.0836) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.609 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.0284 X(o=0.053,f=-0.0073) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -166:sc= 0.025 (180deg=0) USER MOD Set 4.1: A 1 MET CE :methyl -167:sc= 0 (180deg=-0.072) USER MOD Set 4.2: A 33 ASN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Set 4.3: A 82 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 60:sc= 0.83 USER MOD Single : A 5 MET CE :methyl -154:sc= -2.78 (180deg=-6.56!) USER MOD Single : A 10 ASN : amide:sc= -0.668 K(o=-0.67,f=-4.5!) USER MOD Single : A 11 CYS SG : rot -58:sc= 0.113 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0323) USER MOD Single : A 23 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 25 LYS NZ :NH3+ -126:sc= 0.882 (180deg=-0.147) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.328 (180deg=-0.399) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.903 (180deg=-1.01) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.3!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.576 USER MOD Single : A 63 TYR OH : rot 64:sc= 0.344 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.9!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -145:sc= 1.12 USER MOD Single : A 87 TYR OH : rot 110:sc= -0.633 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 89:sc= 1.01 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 0.453 (180deg=0.0912) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= -0.492 (180deg=-1.02) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 109 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-4.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.102 0.134 1.652 1.00 33.13 N ATOM 2 CA MET A 1 2.368 0.288 0.227 1.00 72.42 C ATOM 3 C MET A 1 3.533 -0.596 -0.207 1.00 5.50 C ATOM 4 O MET A 1 4.611 -0.552 0.386 1.00 60.32 O ATOM 5 CB MET A 1 2.671 1.751 -0.102 1.00 70.55 C ATOM 6 CG MET A 1 1.431 2.572 -0.416 1.00 43.40 C ATOM 7 SD MET A 1 1.781 3.973 -1.496 1.00 44.11 S ATOM 8 CE MET A 1 2.954 4.886 -0.497 1.00 1.42 C ATOM 0 H1 MET A 1 1.306 0.745 1.924 1.00 33.13 H new ATOM 0 H2 MET A 1 1.863 -0.858 1.855 1.00 33.13 H new ATOM 0 H3 MET A 1 2.947 0.405 2.194 1.00 33.13 H new ATOM 0 HA MET A 1 1.477 -0.022 -0.319 1.00 72.42 H new ATOM 0 HB2 MET A 1 3.193 2.204 0.741 1.00 70.55 H new ATOM 0 HB3 MET A 1 3.349 1.790 -0.955 1.00 70.55 H new ATOM 0 HG2 MET A 1 0.686 1.932 -0.888 1.00 43.40 H new ATOM 0 HG3 MET A 1 0.995 2.936 0.515 1.00 43.40 H new ATOM 0 HE1 MET A 1 3.090 5.883 -0.916 1.00 1.42 H new ATOM 0 HE2 MET A 1 2.577 4.969 0.522 1.00 1.42 H new ATOM 0 HE3 MET A 1 3.910 4.363 -0.489 1.00 1.42 H new ATOM 18 N ALA A 2 3.310 -1.396 -1.244 1.00 51.32 N ATOM 19 CA ALA A 2 4.342 -2.287 -1.758 1.00 23.43 C ATOM 20 C ALA A 2 4.705 -3.356 -0.732 1.00 2.54 C ATOM 21 O ALA A 2 5.869 -3.734 -0.601 1.00 22.03 O ATOM 22 CB ALA A 2 5.577 -1.492 -2.154 1.00 4.13 C ATOM 0 H ALA A 2 2.423 -1.445 -1.745 1.00 51.32 H new ATOM 0 HA ALA A 2 3.947 -2.788 -2.642 1.00 23.43 H new ATOM 0 HB1 ALA A 2 6.340 -2.171 -2.536 1.00 4.13 H new ATOM 0 HB2 ALA A 2 5.313 -0.771 -2.927 1.00 4.13 H new ATOM 0 HB3 ALA A 2 5.965 -0.964 -1.283 1.00 4.13 H new ATOM 28 N SER A 3 3.702 -3.837 -0.005 1.00 75.24 N ATOM 29 CA SER A 3 3.916 -4.859 1.013 1.00 42.13 C ATOM 30 C SER A 3 2.615 -5.182 1.741 1.00 2.53 C ATOM 31 O SER A 3 1.991 -6.212 1.494 1.00 61.42 O ATOM 32 CB SER A 3 4.974 -4.395 2.016 1.00 62.13 C ATOM 33 OG SER A 3 6.229 -4.997 1.748 1.00 10.12 O ATOM 0 H SER A 3 2.732 -3.535 -0.102 1.00 75.24 H new ATOM 0 HA SER A 3 4.268 -5.763 0.517 1.00 42.13 H new ATOM 0 HB2 SER A 3 5.071 -3.310 1.972 1.00 62.13 H new ATOM 0 HB3 SER A 3 4.655 -4.646 3.028 1.00 62.13 H new ATOM 0 HG SER A 3 6.519 -4.759 0.843 1.00 10.12 H new ATOM 39 N GLY A 4 2.212 -4.291 2.642 1.00 0.43 N ATOM 40 CA GLY A 4 0.988 -4.498 3.394 1.00 40.50 C ATOM 41 C GLY A 4 -0.253 -4.234 2.565 1.00 52.51 C ATOM 42 O GLY A 4 -0.929 -3.222 2.752 1.00 63.03 O ATOM 0 H GLY A 4 2.711 -3.430 2.864 1.00 0.43 H new ATOM 0 HA2 GLY A 4 0.962 -5.523 3.765 1.00 40.50 H new ATOM 0 HA3 GLY A 4 0.985 -3.843 4.265 1.00 40.50 H new ATOM 46 N MET A 5 -0.553 -5.145 1.645 1.00 12.40 N ATOM 47 CA MET A 5 -1.722 -5.004 0.784 1.00 63.42 C ATOM 48 C MET A 5 -2.998 -4.898 1.612 1.00 11.33 C ATOM 49 O MET A 5 -3.294 -5.769 2.429 1.00 51.21 O ATOM 50 CB MET A 5 -1.820 -6.192 -0.175 1.00 73.24 C ATOM 51 CG MET A 5 -0.485 -6.602 -0.775 1.00 3.05 C ATOM 52 SD MET A 5 0.147 -8.140 -0.076 1.00 42.43 S ATOM 53 CE MET A 5 1.365 -8.595 -1.308 1.00 61.40 C ATOM 0 H MET A 5 -0.004 -5.988 1.477 1.00 12.40 H new ATOM 0 HA MET A 5 -1.608 -4.087 0.206 1.00 63.42 H new ATOM 0 HB2 MET A 5 -2.247 -7.043 0.356 1.00 73.24 H new ATOM 0 HB3 MET A 5 -2.509 -5.941 -0.981 1.00 73.24 H new ATOM 0 HG2 MET A 5 -0.595 -6.716 -1.853 1.00 3.05 H new ATOM 0 HG3 MET A 5 0.242 -5.807 -0.611 1.00 3.05 H new ATOM 0 HE1 MET A 5 1.507 -9.676 -1.297 1.00 61.40 H new ATOM 0 HE2 MET A 5 1.019 -8.284 -2.294 1.00 61.40 H new ATOM 0 HE3 MET A 5 2.311 -8.102 -1.084 1.00 61.40 H new ATOM 63 N GLY A 6 -3.751 -3.823 1.396 1.00 23.11 N ATOM 64 CA GLY A 6 -4.986 -3.623 2.131 1.00 50.40 C ATOM 65 C GLY A 6 -6.207 -4.050 1.341 1.00 63.14 C ATOM 66 O GLY A 6 -6.771 -3.262 0.581 1.00 64.52 O ATOM 0 H GLY A 6 -3.527 -3.088 0.725 1.00 23.11 H new ATOM 0 HA2 GLY A 6 -4.945 -4.186 3.063 1.00 50.40 H new ATOM 0 HA3 GLY A 6 -5.080 -2.570 2.398 1.00 50.40 H new ATOM 70 N VAL A 7 -6.616 -5.302 1.518 1.00 61.43 N ATOM 71 CA VAL A 7 -7.777 -5.834 0.815 1.00 53.14 C ATOM 72 C VAL A 7 -9.073 -5.276 1.393 1.00 43.41 C ATOM 73 O VAL A 7 -9.508 -5.680 2.471 1.00 12.22 O ATOM 74 CB VAL A 7 -7.819 -7.372 0.882 1.00 22.11 C ATOM 75 CG1 VAL A 7 -6.747 -7.975 -0.013 1.00 24.14 C ATOM 76 CG2 VAL A 7 -7.655 -7.847 2.318 1.00 14.41 C ATOM 0 H VAL A 7 -6.160 -5.967 2.143 1.00 61.43 H new ATOM 0 HA VAL A 7 -7.684 -5.526 -0.226 1.00 53.14 H new ATOM 0 HB VAL A 7 -8.791 -7.708 0.521 1.00 22.11 H new ATOM 0 HG11 VAL A 7 -6.792 -9.062 0.047 1.00 24.14 H new ATOM 0 HG12 VAL A 7 -6.915 -7.662 -1.043 1.00 24.14 H new ATOM 0 HG13 VAL A 7 -5.765 -7.634 0.315 1.00 24.14 H new ATOM 0 HG21 VAL A 7 -7.687 -8.936 2.347 1.00 14.41 H new ATOM 0 HG22 VAL A 7 -6.698 -7.502 2.708 1.00 14.41 H new ATOM 0 HG23 VAL A 7 -8.463 -7.444 2.929 1.00 14.41 H new ATOM 86 N ASP A 8 -9.685 -4.345 0.669 1.00 45.02 N ATOM 87 CA ASP A 8 -10.932 -3.731 1.109 1.00 72.42 C ATOM 88 C ASP A 8 -12.130 -4.394 0.436 1.00 34.13 C ATOM 89 O ASP A 8 -11.978 -5.129 -0.539 1.00 32.23 O ATOM 90 CB ASP A 8 -10.924 -2.233 0.803 1.00 51.12 C ATOM 91 CG ASP A 8 -11.725 -1.432 1.811 1.00 42.15 C ATOM 92 OD1 ASP A 8 -12.296 -2.045 2.737 1.00 53.22 O ATOM 93 OD2 ASP A 8 -11.779 -0.192 1.674 1.00 73.04 O ATOM 0 H ASP A 8 -9.337 -3.999 -0.225 1.00 45.02 H new ATOM 0 HA ASP A 8 -11.018 -3.873 2.186 1.00 72.42 H new ATOM 0 HB2 ASP A 8 -9.895 -1.873 0.792 1.00 51.12 H new ATOM 0 HB3 ASP A 8 -11.331 -2.067 -0.195 1.00 51.12 H new ATOM 98 N GLU A 9 -13.321 -4.129 0.965 1.00 21.12 N ATOM 99 CA GLU A 9 -14.544 -4.702 0.416 1.00 14.14 C ATOM 100 C GLU A 9 -14.809 -4.174 -0.991 1.00 65.50 C ATOM 101 O GLU A 9 -15.645 -4.708 -1.718 1.00 62.23 O ATOM 102 CB GLU A 9 -15.735 -4.384 1.324 1.00 44.42 C ATOM 103 CG GLU A 9 -15.821 -2.920 1.723 1.00 31.24 C ATOM 104 CD GLU A 9 -17.184 -2.545 2.271 1.00 13.40 C ATOM 105 OE1 GLU A 9 -18.074 -2.201 1.465 1.00 31.21 O ATOM 106 OE2 GLU A 9 -17.361 -2.594 3.506 1.00 20.54 O ATOM 0 H GLU A 9 -13.464 -3.522 1.772 1.00 21.12 H new ATOM 0 HA GLU A 9 -14.415 -5.783 0.362 1.00 14.14 H new ATOM 0 HB2 GLU A 9 -16.656 -4.668 0.814 1.00 44.42 H new ATOM 0 HB3 GLU A 9 -15.668 -4.994 2.225 1.00 44.42 H new ATOM 0 HG2 GLU A 9 -15.060 -2.706 2.474 1.00 31.24 H new ATOM 0 HG3 GLU A 9 -15.598 -2.297 0.857 1.00 31.24 H new ATOM 113 N ASN A 10 -14.089 -3.122 -1.367 1.00 22.20 N ATOM 114 CA ASN A 10 -14.246 -2.521 -2.686 1.00 64.14 C ATOM 115 C ASN A 10 -13.831 -3.498 -3.782 1.00 72.42 C ATOM 116 O ASN A 10 -14.642 -3.879 -4.628 1.00 21.24 O ATOM 117 CB ASN A 10 -13.414 -1.241 -2.788 1.00 53.44 C ATOM 118 CG ASN A 10 -13.715 -0.265 -1.667 1.00 54.02 C ATOM 119 OD1 ASN A 10 -12.994 -0.205 -0.671 1.00 35.30 O ATOM 120 ND2 ASN A 10 -14.785 0.506 -1.825 1.00 73.41 N ATOM 0 H ASN A 10 -13.391 -2.668 -0.777 1.00 22.20 H new ATOM 0 HA ASN A 10 -15.299 -2.275 -2.822 1.00 64.14 H new ATOM 0 HB2 ASN A 10 -12.355 -1.497 -2.769 1.00 53.44 H new ATOM 0 HB3 ASN A 10 -13.608 -0.760 -3.747 1.00 53.44 H new ATOM 0 HD21 ASN A 10 -15.037 1.182 -1.104 1.00 73.41 H new ATOM 0 HD22 ASN A 10 -15.354 0.422 -2.667 1.00 73.41 H new ATOM 127 N CYS A 11 -12.565 -3.900 -3.761 1.00 34.53 N ATOM 128 CA CYS A 11 -12.043 -4.834 -4.752 1.00 44.34 C ATOM 129 C CYS A 11 -13.004 -5.999 -4.963 1.00 13.42 C ATOM 130 O CYS A 11 -13.089 -6.558 -6.056 1.00 51.34 O ATOM 131 CB CYS A 11 -10.674 -5.359 -4.317 1.00 43.22 C ATOM 132 SG CYS A 11 -10.734 -6.515 -2.928 1.00 50.04 S ATOM 0 H CYS A 11 -11.881 -3.594 -3.069 1.00 34.53 H new ATOM 0 HA CYS A 11 -11.937 -4.300 -5.696 1.00 44.34 H new ATOM 0 HB2 CYS A 11 -10.199 -5.852 -5.166 1.00 43.22 H new ATOM 0 HB3 CYS A 11 -10.042 -4.513 -4.045 1.00 43.22 H new ATOM 0 HG CYS A 11 -11.303 -5.941 -1.910 1.00 50.04 H new ATOM 138 N VAL A 12 -13.727 -6.361 -3.907 1.00 64.14 N ATOM 139 CA VAL A 12 -14.682 -7.460 -3.976 1.00 32.11 C ATOM 140 C VAL A 12 -15.922 -7.061 -4.768 1.00 34.52 C ATOM 141 O VAL A 12 -16.340 -7.769 -5.684 1.00 35.13 O ATOM 142 CB VAL A 12 -15.110 -7.920 -2.570 1.00 33.23 C ATOM 143 CG1 VAL A 12 -16.157 -9.020 -2.663 1.00 65.30 C ATOM 144 CG2 VAL A 12 -13.902 -8.388 -1.772 1.00 34.00 C ATOM 0 H VAL A 12 -13.669 -5.909 -2.994 1.00 64.14 H new ATOM 0 HA VAL A 12 -14.181 -8.284 -4.483 1.00 32.11 H new ATOM 0 HB VAL A 12 -15.555 -7.072 -2.049 1.00 33.23 H new ATOM 0 HG11 VAL A 12 -16.447 -9.332 -1.660 1.00 65.30 H new ATOM 0 HG12 VAL A 12 -17.032 -8.645 -3.194 1.00 65.30 H new ATOM 0 HG13 VAL A 12 -15.743 -9.872 -3.202 1.00 65.30 H new ATOM 0 HG21 VAL A 12 -14.223 -8.709 -0.781 1.00 34.00 H new ATOM 0 HG22 VAL A 12 -13.426 -9.222 -2.288 1.00 34.00 H new ATOM 0 HG23 VAL A 12 -13.190 -7.568 -1.675 1.00 34.00 H new ATOM 154 N ALA A 13 -16.506 -5.923 -4.409 1.00 14.05 N ATOM 155 CA ALA A 13 -17.698 -5.428 -5.087 1.00 62.32 C ATOM 156 C ALA A 13 -17.503 -5.416 -6.600 1.00 20.35 C ATOM 157 O ALA A 13 -18.451 -5.619 -7.359 1.00 22.25 O ATOM 158 CB ALA A 13 -18.050 -4.035 -4.587 1.00 44.13 C ATOM 0 H ALA A 13 -16.173 -5.326 -3.652 1.00 14.05 H new ATOM 0 HA ALA A 13 -18.523 -6.103 -4.858 1.00 62.32 H new ATOM 0 HB1 ALA A 13 -18.942 -3.678 -5.102 1.00 44.13 H new ATOM 0 HB2 ALA A 13 -18.240 -4.071 -3.514 1.00 44.13 H new ATOM 0 HB3 ALA A 13 -17.220 -3.357 -4.786 1.00 44.13 H new ATOM 164 N ARG A 14 -16.269 -5.177 -7.031 1.00 1.53 N ATOM 165 CA ARG A 14 -15.951 -5.136 -8.453 1.00 21.11 C ATOM 166 C ARG A 14 -16.057 -6.526 -9.073 1.00 64.23 C ATOM 167 O ARG A 14 -16.822 -6.741 -10.013 1.00 72.42 O ATOM 168 CB ARG A 14 -14.543 -4.576 -8.667 1.00 34.22 C ATOM 169 CG ARG A 14 -14.190 -3.439 -7.722 1.00 53.13 C ATOM 170 CD ARG A 14 -15.278 -2.376 -7.699 1.00 64.03 C ATOM 171 NE ARG A 14 -15.735 -2.090 -6.342 1.00 44.20 N ATOM 172 CZ ARG A 14 -16.810 -1.360 -6.067 1.00 71.22 C ATOM 173 NH1 ARG A 14 -17.535 -0.846 -7.051 1.00 35.02 N ATOM 174 NH2 ARG A 14 -17.162 -1.144 -4.806 1.00 52.13 N ATOM 0 H ARG A 14 -15.473 -5.009 -6.416 1.00 1.53 H new ATOM 0 HA ARG A 14 -16.673 -4.482 -8.943 1.00 21.11 H new ATOM 0 HB2 ARG A 14 -13.818 -5.380 -8.541 1.00 34.22 H new ATOM 0 HB3 ARG A 14 -14.453 -4.224 -9.695 1.00 34.22 H new ATOM 0 HG2 ARG A 14 -14.043 -3.833 -6.716 1.00 53.13 H new ATOM 0 HG3 ARG A 14 -13.246 -2.989 -8.029 1.00 53.13 H new ATOM 0 HD2 ARG A 14 -14.900 -1.461 -8.155 1.00 64.03 H new ATOM 0 HD3 ARG A 14 -16.122 -2.708 -8.303 1.00 64.03 H new ATOM 0 HE ARG A 14 -15.199 -2.472 -5.562 1.00 44.20 H new ATOM 0 HH11 ARG A 14 -17.268 -1.011 -8.021 1.00 35.02 H new ATOM 0 HH12 ARG A 14 -18.360 -0.286 -6.838 1.00 35.02 H new ATOM 0 HH21 ARG A 14 -16.607 -1.539 -4.047 1.00 52.13 H new ATOM 0 HH22 ARG A 14 -17.988 -0.583 -4.596 1.00 52.13 H new ATOM 188 N PHE A 15 -15.282 -7.466 -8.541 1.00 75.34 N ATOM 189 CA PHE A 15 -15.288 -8.835 -9.044 1.00 23.44 C ATOM 190 C PHE A 15 -16.694 -9.425 -9.000 1.00 73.30 C ATOM 191 O PHE A 15 -17.026 -10.323 -9.772 1.00 72.35 O ATOM 192 CB PHE A 15 -14.332 -9.705 -8.224 1.00 71.33 C ATOM 193 CG PHE A 15 -14.907 -11.042 -7.853 1.00 74.21 C ATOM 194 CD1 PHE A 15 -14.860 -12.103 -8.743 1.00 50.25 C ATOM 195 CD2 PHE A 15 -15.495 -11.238 -6.614 1.00 31.41 C ATOM 196 CE1 PHE A 15 -15.389 -13.334 -8.405 1.00 14.33 C ATOM 197 CE2 PHE A 15 -16.026 -12.467 -6.269 1.00 62.33 C ATOM 198 CZ PHE A 15 -15.972 -13.517 -7.166 1.00 1.53 C ATOM 0 H PHE A 15 -14.643 -7.305 -7.763 1.00 75.34 H new ATOM 0 HA PHE A 15 -14.954 -8.816 -10.081 1.00 23.44 H new ATOM 0 HB2 PHE A 15 -13.415 -9.858 -8.793 1.00 71.33 H new ATOM 0 HB3 PHE A 15 -14.058 -9.171 -7.314 1.00 71.33 H new ATOM 0 HD1 PHE A 15 -14.404 -11.966 -9.713 1.00 50.25 H new ATOM 0 HD2 PHE A 15 -15.539 -10.421 -5.909 1.00 31.41 H new ATOM 0 HE1 PHE A 15 -15.347 -14.152 -9.109 1.00 14.33 H new ATOM 0 HE2 PHE A 15 -16.482 -12.606 -5.300 1.00 62.33 H new ATOM 0 HZ PHE A 15 -16.385 -14.479 -6.899 1.00 1.53 H new ATOM 208 N ASN A 16 -17.516 -8.913 -8.090 1.00 34.22 N ATOM 209 CA ASN A 16 -18.887 -9.389 -7.944 1.00 31.42 C ATOM 210 C ASN A 16 -19.768 -8.866 -9.074 1.00 12.21 C ATOM 211 O ASN A 16 -20.870 -9.366 -9.297 1.00 11.01 O ATOM 212 CB ASN A 16 -19.459 -8.955 -6.593 1.00 1.41 C ATOM 213 CG ASN A 16 -20.714 -9.721 -6.223 1.00 21.14 C ATOM 214 OD1 ASN A 16 -20.674 -10.932 -6.006 1.00 24.32 O ATOM 215 ND2 ASN A 16 -21.837 -9.017 -6.149 1.00 11.42 N ATOM 0 H ASN A 16 -17.257 -8.169 -7.443 1.00 34.22 H new ATOM 0 HA ASN A 16 -18.874 -10.478 -7.992 1.00 31.42 H new ATOM 0 HB2 ASN A 16 -18.706 -9.102 -5.819 1.00 1.41 H new ATOM 0 HB3 ASN A 16 -19.683 -7.889 -6.622 1.00 1.41 H new ATOM 0 HD21 ASN A 16 -22.713 -9.479 -5.904 1.00 11.42 H new ATOM 0 HD22 ASN A 16 -21.824 -8.015 -6.337 1.00 11.42 H new ATOM 222 N GLU A 17 -19.274 -7.856 -9.784 1.00 25.44 N ATOM 223 CA GLU A 17 -20.016 -7.265 -10.890 1.00 75.33 C ATOM 224 C GLU A 17 -19.860 -8.100 -12.158 1.00 71.30 C ATOM 225 O GLU A 17 -20.845 -8.559 -12.738 1.00 60.23 O ATOM 226 CB GLU A 17 -19.540 -5.834 -11.147 1.00 62.21 C ATOM 227 CG GLU A 17 -19.529 -4.964 -9.902 1.00 2.42 C ATOM 228 CD GLU A 17 -20.053 -3.565 -10.163 1.00 45.23 C ATOM 229 OE1 GLU A 17 -19.376 -2.803 -10.885 1.00 52.31 O ATOM 230 OE2 GLU A 17 -21.140 -3.233 -9.646 1.00 4.42 O ATOM 0 H GLU A 17 -18.363 -7.431 -9.612 1.00 25.44 H new ATOM 0 HA GLU A 17 -21.071 -7.245 -10.616 1.00 75.33 H new ATOM 0 HB2 GLU A 17 -18.535 -5.864 -11.568 1.00 62.21 H new ATOM 0 HB3 GLU A 17 -20.185 -5.374 -11.896 1.00 62.21 H new ATOM 0 HG2 GLU A 17 -20.134 -5.436 -9.128 1.00 2.42 H new ATOM 0 HG3 GLU A 17 -18.511 -4.901 -9.517 1.00 2.42 H new ATOM 237 N LEU A 18 -18.616 -8.293 -12.583 1.00 12.24 N ATOM 238 CA LEU A 18 -18.329 -9.072 -13.782 1.00 72.11 C ATOM 239 C LEU A 18 -18.887 -10.486 -13.659 1.00 70.40 C ATOM 240 O LEU A 18 -19.092 -11.174 -14.659 1.00 61.15 O ATOM 241 CB LEU A 18 -16.821 -9.126 -14.030 1.00 23.30 C ATOM 242 CG LEU A 18 -15.946 -9.362 -12.798 1.00 71.41 C ATOM 243 CD1 LEU A 18 -15.112 -10.622 -12.969 1.00 64.24 C ATOM 244 CD2 LEU A 18 -15.051 -8.159 -12.541 1.00 14.33 C ATOM 0 H LEU A 18 -17.790 -7.920 -12.115 1.00 12.24 H new ATOM 0 HA LEU A 18 -18.813 -8.583 -14.628 1.00 72.11 H new ATOM 0 HB2 LEU A 18 -16.620 -9.918 -14.751 1.00 23.30 H new ATOM 0 HB3 LEU A 18 -16.515 -8.188 -14.494 1.00 23.30 H new ATOM 0 HG LEU A 18 -16.597 -9.496 -11.934 1.00 71.41 H new ATOM 0 HD11 LEU A 18 -14.496 -10.774 -12.083 1.00 64.24 H new ATOM 0 HD12 LEU A 18 -15.771 -11.479 -13.104 1.00 64.24 H new ATOM 0 HD13 LEU A 18 -14.470 -10.517 -13.844 1.00 64.24 H new ATOM 0 HD21 LEU A 18 -14.436 -8.345 -11.661 1.00 14.33 H new ATOM 0 HD22 LEU A 18 -14.408 -7.993 -13.405 1.00 14.33 H new ATOM 0 HD23 LEU A 18 -15.668 -7.276 -12.373 1.00 14.33 H new ATOM 256 N LYS A 19 -19.133 -10.914 -12.425 1.00 71.55 N ATOM 257 CA LYS A 19 -19.671 -12.245 -12.170 1.00 21.40 C ATOM 258 C LYS A 19 -21.117 -12.348 -12.644 1.00 60.23 C ATOM 259 O LYS A 19 -21.506 -13.336 -13.269 1.00 14.54 O ATOM 260 CB LYS A 19 -19.588 -12.574 -10.678 1.00 0.45 C ATOM 261 CG LYS A 19 -19.906 -14.023 -10.355 1.00 31.40 C ATOM 262 CD LYS A 19 -19.675 -14.331 -8.885 1.00 62.31 C ATOM 263 CE LYS A 19 -20.989 -14.506 -8.139 1.00 4.32 C ATOM 264 NZ LYS A 19 -20.846 -14.205 -6.687 1.00 52.53 N ATOM 0 H LYS A 19 -18.968 -10.358 -11.586 1.00 71.55 H new ATOM 0 HA LYS A 19 -19.072 -12.964 -12.729 1.00 21.40 H new ATOM 0 HB2 LYS A 19 -18.585 -12.342 -10.319 1.00 0.45 H new ATOM 0 HB3 LYS A 19 -20.278 -11.930 -10.134 1.00 0.45 H new ATOM 0 HG2 LYS A 19 -20.944 -14.235 -10.613 1.00 31.40 H new ATOM 0 HG3 LYS A 19 -19.285 -14.678 -10.967 1.00 31.40 H new ATOM 0 HD2 LYS A 19 -19.079 -15.239 -8.792 1.00 62.31 H new ATOM 0 HD3 LYS A 19 -19.101 -13.524 -8.429 1.00 62.31 H new ATOM 0 HE2 LYS A 19 -21.744 -13.850 -8.573 1.00 4.32 H new ATOM 0 HE3 LYS A 19 -21.345 -15.529 -8.265 1.00 4.32 H new ATOM 0 HZ1 LYS A 19 -21.680 -14.557 -6.176 1.00 52.53 H new ATOM 0 HZ2 LYS A 19 -19.992 -14.671 -6.318 1.00 52.53 H new ATOM 0 HZ3 LYS A 19 -20.765 -13.177 -6.552 1.00 52.53 H new ATOM 278 N ILE A 20 -21.907 -11.323 -12.345 1.00 51.44 N ATOM 279 CA ILE A 20 -23.309 -11.297 -12.744 1.00 20.51 C ATOM 280 C ILE A 20 -23.461 -10.840 -14.190 1.00 51.45 C ATOM 281 O ILE A 20 -24.385 -11.256 -14.890 1.00 1.50 O ATOM 282 CB ILE A 20 -24.136 -10.370 -11.834 1.00 74.31 C ATOM 283 CG1 ILE A 20 -25.589 -10.316 -12.310 1.00 74.25 C ATOM 284 CG2 ILE A 20 -23.530 -8.975 -11.807 1.00 63.43 C ATOM 285 CD1 ILE A 20 -26.265 -11.669 -12.345 1.00 21.25 C ATOM 0 H ILE A 20 -21.600 -10.499 -11.828 1.00 51.44 H new ATOM 0 HA ILE A 20 -23.684 -12.316 -12.647 1.00 20.51 H new ATOM 0 HB ILE A 20 -24.120 -10.771 -10.821 1.00 74.31 H new ATOM 0 HG12 ILE A 20 -26.153 -9.654 -11.653 1.00 74.25 H new ATOM 0 HG13 ILE A 20 -25.620 -9.878 -13.308 1.00 74.25 H new ATOM 0 HG21 ILE A 20 -24.126 -8.332 -11.160 1.00 63.43 H new ATOM 0 HG22 ILE A 20 -22.510 -9.029 -11.426 1.00 63.43 H new ATOM 0 HG23 ILE A 20 -23.519 -8.564 -12.816 1.00 63.43 H new ATOM 0 HD11 ILE A 20 -27.292 -11.554 -12.692 1.00 21.25 H new ATOM 0 HD12 ILE A 20 -25.724 -12.328 -13.024 1.00 21.25 H new ATOM 0 HD13 ILE A 20 -26.266 -12.101 -11.344 1.00 21.25 H new ATOM 297 N ARG A 21 -22.547 -9.982 -14.633 1.00 74.01 N ATOM 298 CA ARG A 21 -22.579 -9.468 -15.997 1.00 54.10 C ATOM 299 C ARG A 21 -22.087 -10.520 -16.986 1.00 63.13 C ATOM 300 O ARG A 21 -22.593 -10.622 -18.104 1.00 64.41 O ATOM 301 CB ARG A 21 -21.722 -8.206 -16.109 1.00 52.13 C ATOM 302 CG ARG A 21 -22.430 -6.945 -15.640 1.00 23.33 C ATOM 303 CD ARG A 21 -23.641 -6.632 -16.503 1.00 54.04 C ATOM 304 NE ARG A 21 -24.879 -7.135 -15.913 1.00 60.45 N ATOM 305 CZ ARG A 21 -25.439 -6.617 -14.826 1.00 51.24 C ATOM 306 NH1 ARG A 21 -24.875 -5.585 -14.214 1.00 52.21 N ATOM 307 NH2 ARG A 21 -26.566 -7.130 -14.350 1.00 20.32 N ATOM 0 H ARG A 21 -21.776 -9.628 -14.067 1.00 74.01 H new ATOM 0 HA ARG A 21 -23.612 -9.220 -16.241 1.00 54.10 H new ATOM 0 HB2 ARG A 21 -20.813 -8.341 -15.523 1.00 52.13 H new ATOM 0 HB3 ARG A 21 -21.416 -8.076 -17.147 1.00 52.13 H new ATOM 0 HG2 ARG A 21 -22.743 -7.066 -14.603 1.00 23.33 H new ATOM 0 HG3 ARG A 21 -21.736 -6.105 -15.667 1.00 23.33 H new ATOM 0 HD2 ARG A 21 -23.718 -5.554 -16.642 1.00 54.04 H new ATOM 0 HD3 ARG A 21 -23.505 -7.072 -17.491 1.00 54.04 H new ATOM 0 HE ARG A 21 -25.339 -7.928 -16.361 1.00 60.45 H new ATOM 0 HH11 ARG A 21 -24.009 -5.187 -14.578 1.00 52.21 H new ATOM 0 HH12 ARG A 21 -25.307 -5.189 -13.379 1.00 52.21 H new ATOM 0 HH21 ARG A 21 -27.003 -7.923 -14.819 1.00 20.32 H new ATOM 0 HH22 ARG A 21 -26.995 -6.731 -13.515 1.00 20.32 H new ATOM 321 N LYS A 22 -21.096 -11.300 -16.568 1.00 20.23 N ATOM 322 CA LYS A 22 -20.534 -12.345 -17.415 1.00 72.40 C ATOM 323 C LYS A 22 -20.275 -11.822 -18.824 1.00 61.53 C ATOM 324 O LYS A 22 -20.276 -12.585 -19.791 1.00 72.22 O ATOM 325 CB LYS A 22 -21.479 -13.548 -17.472 1.00 14.44 C ATOM 326 CG LYS A 22 -22.731 -13.299 -18.295 1.00 15.23 C ATOM 327 CD LYS A 22 -23.404 -14.601 -18.694 1.00 72.33 C ATOM 328 CE LYS A 22 -22.835 -15.146 -19.995 1.00 61.42 C ATOM 329 NZ LYS A 22 -23.342 -14.398 -21.179 1.00 24.32 N ATOM 0 H LYS A 22 -20.665 -11.228 -15.646 1.00 20.23 H new ATOM 0 HA LYS A 22 -19.584 -12.657 -16.981 1.00 72.40 H new ATOM 0 HB2 LYS A 22 -20.943 -14.401 -17.889 1.00 14.44 H new ATOM 0 HB3 LYS A 22 -21.769 -13.820 -16.457 1.00 14.44 H new ATOM 0 HG2 LYS A 22 -23.429 -12.688 -17.722 1.00 15.23 H new ATOM 0 HG3 LYS A 22 -22.473 -12.733 -19.190 1.00 15.23 H new ATOM 0 HD2 LYS A 22 -23.273 -15.338 -17.901 1.00 72.33 H new ATOM 0 HD3 LYS A 22 -24.476 -14.439 -18.804 1.00 72.33 H new ATOM 0 HE2 LYS A 22 -21.747 -15.088 -19.968 1.00 61.42 H new ATOM 0 HE3 LYS A 22 -23.096 -16.200 -20.092 1.00 61.42 H new ATOM 0 HZ1 LYS A 22 -23.070 -14.899 -22.049 1.00 24.32 H new ATOM 0 HZ2 LYS A 22 -24.379 -14.329 -21.129 1.00 24.32 H new ATOM 0 HZ3 LYS A 22 -22.932 -13.442 -21.188 1.00 24.32 H new ATOM 343 N THR A 23 -20.051 -10.517 -18.934 1.00 41.43 N ATOM 344 CA THR A 23 -19.790 -9.892 -20.225 1.00 24.11 C ATOM 345 C THR A 23 -18.661 -8.873 -20.124 1.00 2.41 C ATOM 346 O THR A 23 -17.638 -8.995 -20.798 1.00 23.34 O ATOM 347 CB THR A 23 -21.048 -9.195 -20.777 1.00 25.22 C ATOM 348 OG1 THR A 23 -22.178 -10.068 -20.671 1.00 24.31 O ATOM 349 CG2 THR A 23 -20.848 -8.789 -22.229 1.00 72.53 C ATOM 0 H THR A 23 -20.045 -9.872 -18.144 1.00 41.43 H new ATOM 0 HA THR A 23 -19.497 -10.689 -20.908 1.00 24.11 H new ATOM 0 HB THR A 23 -21.228 -8.296 -20.187 1.00 25.22 H new ATOM 0 HG1 THR A 23 -22.478 -10.103 -19.739 1.00 24.31 H new ATOM 0 HG21 THR A 23 -21.749 -8.299 -22.597 1.00 72.53 H new ATOM 0 HG22 THR A 23 -20.005 -8.101 -22.302 1.00 72.53 H new ATOM 0 HG23 THR A 23 -20.646 -9.675 -22.830 1.00 72.53 H new ATOM 357 N VAL A 24 -18.853 -7.866 -19.277 1.00 42.24 N ATOM 358 CA VAL A 24 -17.849 -6.825 -19.087 1.00 33.42 C ATOM 359 C VAL A 24 -18.442 -5.614 -18.375 1.00 61.23 C ATOM 360 O VAL A 24 -18.923 -4.678 -19.015 1.00 32.45 O ATOM 361 CB VAL A 24 -17.247 -6.374 -20.430 1.00 42.24 C ATOM 362 CG1 VAL A 24 -18.346 -6.131 -21.454 1.00 4.22 C ATOM 363 CG2 VAL A 24 -16.398 -5.126 -20.241 1.00 12.44 C ATOM 0 H VAL A 24 -19.694 -7.749 -18.712 1.00 42.24 H new ATOM 0 HA VAL A 24 -17.060 -7.255 -18.470 1.00 33.42 H new ATOM 0 HB VAL A 24 -16.604 -7.170 -20.805 1.00 42.24 H new ATOM 0 HG11 VAL A 24 -17.901 -5.813 -22.397 1.00 4.22 H new ATOM 0 HG12 VAL A 24 -18.908 -7.052 -21.610 1.00 4.22 H new ATOM 0 HG13 VAL A 24 -19.018 -5.354 -21.089 1.00 4.22 H new ATOM 0 HG21 VAL A 24 -15.980 -4.821 -21.201 1.00 12.44 H new ATOM 0 HG22 VAL A 24 -17.017 -4.322 -19.843 1.00 12.44 H new ATOM 0 HG23 VAL A 24 -15.588 -5.339 -19.544 1.00 12.44 H new ATOM 373 N LYS A 25 -18.403 -5.638 -17.047 1.00 54.44 N ATOM 374 CA LYS A 25 -18.935 -4.541 -16.247 1.00 24.14 C ATOM 375 C LYS A 25 -17.950 -3.377 -16.197 1.00 12.01 C ATOM 376 O LYS A 25 -18.300 -2.274 -15.778 1.00 11.24 O ATOM 377 CB LYS A 25 -19.244 -5.022 -14.827 1.00 60.21 C ATOM 378 CG LYS A 25 -19.877 -3.957 -13.948 1.00 60.24 C ATOM 379 CD LYS A 25 -21.368 -4.193 -13.773 1.00 2.22 C ATOM 380 CE LYS A 25 -21.983 -3.181 -12.819 1.00 14.22 C ATOM 381 NZ LYS A 25 -22.859 -3.834 -11.806 1.00 62.05 N ATOM 0 H LYS A 25 -18.009 -6.405 -16.502 1.00 54.44 H new ATOM 0 HA LYS A 25 -19.856 -4.195 -16.716 1.00 24.14 H new ATOM 0 HB2 LYS A 25 -19.913 -5.881 -14.881 1.00 60.21 H new ATOM 0 HB3 LYS A 25 -18.321 -5.365 -14.360 1.00 60.21 H new ATOM 0 HG2 LYS A 25 -19.391 -3.953 -12.972 1.00 60.24 H new ATOM 0 HG3 LYS A 25 -19.713 -2.974 -14.390 1.00 60.24 H new ATOM 0 HD2 LYS A 25 -21.864 -4.130 -14.742 1.00 2.22 H new ATOM 0 HD3 LYS A 25 -21.536 -5.201 -13.394 1.00 2.22 H new ATOM 0 HE2 LYS A 25 -21.190 -2.631 -12.313 1.00 14.22 H new ATOM 0 HE3 LYS A 25 -22.564 -2.453 -13.386 1.00 14.22 H new ATOM 0 HZ1 LYS A 25 -23.800 -3.391 -11.824 1.00 62.05 H new ATOM 0 HZ2 LYS A 25 -22.949 -4.847 -12.026 1.00 62.05 H new ATOM 0 HZ3 LYS A 25 -22.441 -3.721 -10.861 1.00 62.05 H new ATOM 395 N TRP A 26 -16.720 -3.630 -16.628 1.00 60.12 N ATOM 396 CA TRP A 26 -15.686 -2.602 -16.634 1.00 4.21 C ATOM 397 C TRP A 26 -15.557 -1.951 -15.261 1.00 72.10 C ATOM 398 O TRP A 26 -16.231 -0.964 -14.967 1.00 14.41 O ATOM 399 CB TRP A 26 -16.000 -1.539 -17.688 1.00 62.12 C ATOM 400 CG TRP A 26 -15.390 -0.204 -17.386 1.00 10.21 C ATOM 401 CD1 TRP A 26 -16.053 0.947 -17.067 1.00 72.24 C ATOM 402 CD2 TRP A 26 -13.995 0.119 -17.376 1.00 31.34 C ATOM 403 NE1 TRP A 26 -15.154 1.965 -16.860 1.00 14.31 N ATOM 404 CE2 TRP A 26 -13.885 1.483 -17.042 1.00 34.10 C ATOM 405 CE3 TRP A 26 -12.828 -0.612 -17.614 1.00 32.33 C ATOM 406 CZ2 TRP A 26 -12.656 2.128 -16.943 1.00 24.05 C ATOM 407 CZ3 TRP A 26 -11.608 0.030 -17.515 1.00 34.51 C ATOM 408 CH2 TRP A 26 -11.529 1.388 -17.181 1.00 14.10 C ATOM 0 H TRP A 26 -16.414 -4.538 -16.978 1.00 60.12 H new ATOM 0 HA TRP A 26 -14.737 -3.079 -16.880 1.00 4.21 H new ATOM 0 HB2 TRP A 26 -15.642 -1.883 -18.658 1.00 62.12 H new ATOM 0 HB3 TRP A 26 -17.081 -1.426 -17.769 1.00 62.12 H new ATOM 0 HD1 TRP A 26 -17.126 1.043 -16.989 1.00 72.24 H new ATOM 0 HE1 TRP A 26 -15.393 2.925 -16.611 1.00 14.31 H new ATOM 0 HE3 TRP A 26 -12.878 -1.660 -17.871 1.00 32.33 H new ATOM 0 HZ2 TRP A 26 -12.593 3.175 -16.687 1.00 24.05 H new ATOM 0 HZ3 TRP A 26 -10.700 -0.525 -17.698 1.00 34.51 H new ATOM 0 HH2 TRP A 26 -10.560 1.860 -17.110 1.00 14.10 H new ATOM 419 N ILE A 27 -14.689 -2.510 -14.425 1.00 43.01 N ATOM 420 CA ILE A 27 -14.472 -1.982 -13.084 1.00 32.12 C ATOM 421 C ILE A 27 -12.987 -1.772 -12.809 1.00 31.13 C ATOM 422 O ILE A 27 -12.214 -2.729 -12.750 1.00 12.40 O ATOM 423 CB ILE A 27 -15.054 -2.919 -12.009 1.00 73.32 C ATOM 424 CG1 ILE A 27 -16.228 -3.718 -12.579 1.00 54.34 C ATOM 425 CG2 ILE A 27 -15.492 -2.121 -10.791 1.00 10.54 C ATOM 426 CD1 ILE A 27 -15.848 -5.108 -13.038 1.00 22.13 C ATOM 0 H ILE A 27 -14.125 -3.329 -14.653 1.00 43.01 H new ATOM 0 HA ILE A 27 -14.987 -1.023 -13.036 1.00 32.12 H new ATOM 0 HB ILE A 27 -14.278 -3.619 -11.700 1.00 73.32 H new ATOM 0 HG12 ILE A 27 -17.007 -3.795 -11.820 1.00 54.34 H new ATOM 0 HG13 ILE A 27 -16.655 -3.171 -13.419 1.00 54.34 H new ATOM 0 HG21 ILE A 27 -15.901 -2.798 -10.041 1.00 10.54 H new ATOM 0 HG22 ILE A 27 -14.634 -1.593 -10.374 1.00 10.54 H new ATOM 0 HG23 ILE A 27 -16.255 -1.400 -11.084 1.00 10.54 H new ATOM 0 HD11 ILE A 27 -16.729 -5.615 -13.430 1.00 22.13 H new ATOM 0 HD12 ILE A 27 -15.092 -5.039 -13.820 1.00 22.13 H new ATOM 0 HD13 ILE A 27 -15.449 -5.673 -12.196 1.00 22.13 H new ATOM 438 N VAL A 28 -12.594 -0.514 -12.639 1.00 14.40 N ATOM 439 CA VAL A 28 -11.202 -0.177 -12.367 1.00 31.32 C ATOM 440 C VAL A 28 -11.002 0.190 -10.901 1.00 0.42 C ATOM 441 O VAL A 28 -11.548 1.183 -10.418 1.00 43.05 O ATOM 442 CB VAL A 28 -10.725 0.992 -13.248 1.00 4.52 C ATOM 443 CG1 VAL A 28 -9.682 1.823 -12.514 1.00 74.13 C ATOM 444 CG2 VAL A 28 -10.173 0.474 -14.567 1.00 51.45 C ATOM 0 H VAL A 28 -13.221 0.289 -12.685 1.00 14.40 H new ATOM 0 HA VAL A 28 -10.610 -1.062 -12.601 1.00 31.32 H new ATOM 0 HB VAL A 28 -11.579 1.633 -13.465 1.00 4.52 H new ATOM 0 HG11 VAL A 28 -9.357 2.645 -13.152 1.00 74.13 H new ATOM 0 HG12 VAL A 28 -10.116 2.225 -11.598 1.00 74.13 H new ATOM 0 HG13 VAL A 28 -8.826 1.196 -12.265 1.00 74.13 H new ATOM 0 HG21 VAL A 28 -9.841 1.314 -15.177 1.00 51.45 H new ATOM 0 HG22 VAL A 28 -9.330 -0.190 -14.373 1.00 51.45 H new ATOM 0 HG23 VAL A 28 -10.952 -0.074 -15.097 1.00 51.45 H new ATOM 454 N PHE A 29 -10.215 -0.616 -10.196 1.00 73.33 N ATOM 455 CA PHE A 29 -9.943 -0.376 -8.784 1.00 22.41 C ATOM 456 C PHE A 29 -8.507 0.097 -8.580 1.00 3.21 C ATOM 457 O PHE A 29 -7.578 -0.409 -9.210 1.00 21.33 O ATOM 458 CB PHE A 29 -10.192 -1.649 -7.971 1.00 55.43 C ATOM 459 CG PHE A 29 -9.502 -2.861 -8.528 1.00 41.31 C ATOM 460 CD1 PHE A 29 -10.117 -3.643 -9.493 1.00 3.43 C ATOM 461 CD2 PHE A 29 -8.238 -3.218 -8.087 1.00 41.13 C ATOM 462 CE1 PHE A 29 -9.484 -4.759 -10.006 1.00 2.10 C ATOM 463 CE2 PHE A 29 -7.600 -4.333 -8.597 1.00 43.13 C ATOM 464 CZ PHE A 29 -8.223 -5.104 -9.559 1.00 13.23 C ATOM 0 H PHE A 29 -9.754 -1.441 -10.580 1.00 73.33 H new ATOM 0 HA PHE A 29 -10.618 0.406 -8.438 1.00 22.41 H new ATOM 0 HB2 PHE A 29 -9.856 -1.488 -6.947 1.00 55.43 H new ATOM 0 HB3 PHE A 29 -11.264 -1.839 -7.928 1.00 55.43 H new ATOM 0 HD1 PHE A 29 -11.102 -3.377 -9.848 1.00 3.43 H new ATOM 0 HD2 PHE A 29 -7.746 -2.618 -7.336 1.00 41.13 H new ATOM 0 HE1 PHE A 29 -9.975 -5.361 -10.756 1.00 2.10 H new ATOM 0 HE2 PHE A 29 -6.615 -4.601 -8.244 1.00 43.13 H new ATOM 0 HZ PHE A 29 -7.726 -5.974 -9.961 1.00 13.23 H new ATOM 474 N LYS A 30 -8.332 1.073 -7.695 1.00 51.24 N ATOM 475 CA LYS A 30 -7.010 1.617 -7.406 1.00 34.31 C ATOM 476 C LYS A 30 -6.560 1.233 -6.000 1.00 32.10 C ATOM 477 O LYS A 30 -7.385 0.980 -5.122 1.00 13.35 O ATOM 478 CB LYS A 30 -7.020 3.140 -7.552 1.00 3.11 C ATOM 479 CG LYS A 30 -7.923 3.841 -6.552 1.00 50.43 C ATOM 480 CD LYS A 30 -7.425 5.242 -6.237 1.00 25.31 C ATOM 481 CE LYS A 30 -7.369 5.489 -4.737 1.00 53.12 C ATOM 482 NZ LYS A 30 -8.539 6.278 -4.262 1.00 13.32 N ATOM 0 H LYS A 30 -9.090 1.504 -7.165 1.00 51.24 H new ATOM 0 HA LYS A 30 -6.305 1.194 -8.122 1.00 34.31 H new ATOM 0 HB2 LYS A 30 -6.003 3.514 -7.435 1.00 3.11 H new ATOM 0 HB3 LYS A 30 -7.341 3.398 -8.561 1.00 3.11 H new ATOM 0 HG2 LYS A 30 -8.936 3.895 -6.951 1.00 50.43 H new ATOM 0 HG3 LYS A 30 -7.973 3.256 -5.633 1.00 50.43 H new ATOM 0 HD2 LYS A 30 -6.433 5.382 -6.667 1.00 25.31 H new ATOM 0 HD3 LYS A 30 -8.082 5.976 -6.704 1.00 25.31 H new ATOM 0 HE2 LYS A 30 -7.338 4.534 -4.212 1.00 53.12 H new ATOM 0 HE3 LYS A 30 -6.449 6.019 -4.490 1.00 53.12 H new ATOM 0 HZ1 LYS A 30 -8.666 6.130 -3.240 1.00 13.32 H new ATOM 0 HZ2 LYS A 30 -8.375 7.288 -4.448 1.00 13.32 H new ATOM 0 HZ3 LYS A 30 -9.394 5.968 -4.765 1.00 13.32 H new ATOM 496 N ILE A 31 -5.248 1.193 -5.794 1.00 72.42 N ATOM 497 CA ILE A 31 -4.690 0.842 -4.494 1.00 42.31 C ATOM 498 C ILE A 31 -4.079 2.061 -3.812 1.00 11.54 C ATOM 499 O ILE A 31 -3.038 2.564 -4.233 1.00 50.03 O ATOM 500 CB ILE A 31 -3.615 -0.254 -4.620 1.00 11.31 C ATOM 501 CG1 ILE A 31 -2.658 0.069 -5.769 1.00 54.15 C ATOM 502 CG2 ILE A 31 -4.266 -1.612 -4.831 1.00 74.32 C ATOM 503 CD1 ILE A 31 -1.422 -0.802 -5.789 1.00 60.13 C ATOM 0 H ILE A 31 -4.552 1.399 -6.510 1.00 72.42 H new ATOM 0 HA ILE A 31 -5.514 0.464 -3.888 1.00 42.31 H new ATOM 0 HB ILE A 31 -3.041 -0.288 -3.694 1.00 11.31 H new ATOM 0 HG12 ILE A 31 -3.188 -0.044 -6.715 1.00 54.15 H new ATOM 0 HG13 ILE A 31 -2.355 1.114 -5.696 1.00 54.15 H new ATOM 0 HG21 ILE A 31 -3.494 -2.376 -4.918 1.00 74.32 H new ATOM 0 HG22 ILE A 31 -4.910 -1.842 -3.982 1.00 74.32 H new ATOM 0 HG23 ILE A 31 -4.861 -1.592 -5.744 1.00 74.32 H new ATOM 0 HD11 ILE A 31 -0.790 -0.517 -6.630 1.00 60.13 H new ATOM 0 HD12 ILE A 31 -0.870 -0.671 -4.859 1.00 60.13 H new ATOM 0 HD13 ILE A 31 -1.715 -1.847 -5.893 1.00 60.13 H new ATOM 515 N GLU A 32 -4.734 2.531 -2.754 1.00 25.42 N ATOM 516 CA GLU A 32 -4.254 3.691 -2.012 1.00 65.31 C ATOM 517 C GLU A 32 -3.118 3.302 -1.069 1.00 54.12 C ATOM 518 O GLU A 32 -2.570 2.205 -1.160 1.00 71.43 O ATOM 519 CB GLU A 32 -5.397 4.325 -1.217 1.00 71.53 C ATOM 520 CG GLU A 32 -5.485 5.833 -1.375 1.00 2.22 C ATOM 521 CD GLU A 32 -6.513 6.457 -0.452 1.00 55.40 C ATOM 522 OE1 GLU A 32 -6.553 6.074 0.736 1.00 14.51 O ATOM 523 OE2 GLU A 32 -7.278 7.328 -0.917 1.00 72.23 O ATOM 0 H GLU A 32 -5.598 2.126 -2.392 1.00 25.42 H new ATOM 0 HA GLU A 32 -3.874 4.418 -2.730 1.00 65.31 H new ATOM 0 HB2 GLU A 32 -6.340 3.879 -1.534 1.00 71.53 H new ATOM 0 HB3 GLU A 32 -5.270 4.086 -0.161 1.00 71.53 H new ATOM 0 HG2 GLU A 32 -4.508 6.273 -1.175 1.00 2.22 H new ATOM 0 HG3 GLU A 32 -5.737 6.072 -2.408 1.00 2.22 H new ATOM 530 N ASN A 33 -2.771 4.211 -0.164 1.00 53.41 N ATOM 531 CA ASN A 33 -1.701 3.965 0.795 1.00 2.12 C ATOM 532 C ASN A 33 -2.075 2.834 1.749 1.00 44.41 C ATOM 533 O ASN A 33 -2.665 3.066 2.804 1.00 12.34 O ATOM 534 CB ASN A 33 -1.396 5.237 1.589 1.00 15.20 C ATOM 535 CG ASN A 33 -0.528 6.209 0.814 1.00 63.45 C ATOM 536 OD1 ASN A 33 0.608 6.487 1.199 1.00 12.20 O ATOM 537 ND2 ASN A 33 -1.060 6.730 -0.286 1.00 65.31 N ATOM 0 H ASN A 33 -3.215 5.125 -0.075 1.00 53.41 H new ATOM 0 HA ASN A 33 -0.811 3.669 0.240 1.00 2.12 H new ATOM 0 HB2 ASN A 33 -2.332 5.726 1.860 1.00 15.20 H new ATOM 0 HB3 ASN A 33 -0.895 4.970 2.520 1.00 15.20 H new ATOM 0 HD21 ASN A 33 -0.523 7.389 -0.849 1.00 65.31 H new ATOM 0 HD22 ASN A 33 -2.006 6.471 -0.567 1.00 65.31 H new ATOM 544 N THR A 34 -1.726 1.609 1.370 1.00 21.54 N ATOM 545 CA THR A 34 -2.025 0.441 2.190 1.00 4.45 C ATOM 546 C THR A 34 -3.525 0.178 2.246 1.00 60.43 C ATOM 547 O THR A 34 -4.090 -0.032 3.319 1.00 31.22 O ATOM 548 CB THR A 34 -1.492 0.612 3.626 1.00 63.14 C ATOM 549 OG1 THR A 34 -0.490 1.635 3.658 1.00 14.10 O ATOM 550 CG2 THR A 34 -0.907 -0.693 4.144 1.00 33.25 C ATOM 0 H THR A 34 -1.236 1.400 0.500 1.00 21.54 H new ATOM 0 HA THR A 34 -1.527 -0.409 1.723 1.00 4.45 H new ATOM 0 HB THR A 34 -2.325 0.899 4.268 1.00 63.14 H new ATOM 0 HG1 THR A 34 -0.158 1.739 4.574 1.00 14.10 H new ATOM 0 HG21 THR A 34 -0.537 -0.548 5.159 1.00 33.25 H new ATOM 0 HG22 THR A 34 -1.679 -1.463 4.145 1.00 33.25 H new ATOM 0 HG23 THR A 34 -0.085 -1.005 3.499 1.00 33.25 H new ATOM 558 N LYS A 35 -4.166 0.189 1.082 1.00 71.11 N ATOM 559 CA LYS A 35 -5.602 -0.051 0.996 1.00 22.25 C ATOM 560 C LYS A 35 -6.053 -0.139 -0.458 1.00 11.50 C ATOM 561 O LYS A 35 -5.360 0.329 -1.362 1.00 23.03 O ATOM 562 CB LYS A 35 -6.369 1.062 1.714 1.00 73.42 C ATOM 563 CG LYS A 35 -7.855 0.781 1.856 1.00 14.40 C ATOM 564 CD LYS A 35 -8.109 -0.531 2.579 1.00 43.10 C ATOM 565 CE LYS A 35 -7.490 -0.530 3.969 1.00 73.14 C ATOM 566 NZ LYS A 35 -7.867 -1.744 4.744 1.00 33.12 N ATOM 0 H LYS A 35 -3.713 0.362 0.184 1.00 71.11 H new ATOM 0 HA LYS A 35 -5.816 -1.003 1.482 1.00 22.25 H new ATOM 0 HB2 LYS A 35 -5.939 1.208 2.705 1.00 73.42 H new ATOM 0 HB3 LYS A 35 -6.235 1.996 1.168 1.00 73.42 H new ATOM 0 HG2 LYS A 35 -8.330 1.596 2.402 1.00 14.40 H new ATOM 0 HG3 LYS A 35 -8.316 0.748 0.869 1.00 14.40 H new ATOM 0 HD2 LYS A 35 -9.183 -0.702 2.658 1.00 43.10 H new ATOM 0 HD3 LYS A 35 -7.696 -1.355 1.996 1.00 43.10 H new ATOM 0 HE2 LYS A 35 -6.405 -0.476 3.883 1.00 73.14 H new ATOM 0 HE3 LYS A 35 -7.812 0.360 4.509 1.00 73.14 H new ATOM 0 HZ1 LYS A 35 -7.426 -1.706 5.685 1.00 33.12 H new ATOM 0 HZ2 LYS A 35 -8.901 -1.782 4.848 1.00 33.12 H new ATOM 0 HZ3 LYS A 35 -7.538 -2.593 4.241 1.00 33.12 H new ATOM 580 N ILE A 36 -7.219 -0.738 -0.676 1.00 24.21 N ATOM 581 CA ILE A 36 -7.763 -0.884 -2.020 1.00 44.34 C ATOM 582 C ILE A 36 -9.146 -0.251 -2.125 1.00 32.10 C ATOM 583 O ILE A 36 -9.934 -0.296 -1.180 1.00 74.24 O ATOM 584 CB ILE A 36 -7.855 -2.365 -2.433 1.00 51.41 C ATOM 585 CG1 ILE A 36 -6.459 -2.986 -2.500 1.00 24.23 C ATOM 586 CG2 ILE A 36 -8.565 -2.498 -3.772 1.00 44.23 C ATOM 587 CD1 ILE A 36 -6.438 -4.462 -2.171 1.00 20.53 C ATOM 0 H ILE A 36 -7.805 -1.130 0.061 1.00 24.21 H new ATOM 0 HA ILE A 36 -7.079 -0.370 -2.695 1.00 44.34 H new ATOM 0 HB ILE A 36 -8.435 -2.901 -1.682 1.00 51.41 H new ATOM 0 HG12 ILE A 36 -6.053 -2.839 -3.501 1.00 24.23 H new ATOM 0 HG13 ILE A 36 -5.802 -2.458 -1.809 1.00 24.23 H new ATOM 0 HG21 ILE A 36 -8.622 -3.550 -4.051 1.00 44.23 H new ATOM 0 HG22 ILE A 36 -9.572 -2.088 -3.692 1.00 44.23 H new ATOM 0 HG23 ILE A 36 -8.010 -1.951 -4.534 1.00 44.23 H new ATOM 0 HD11 ILE A 36 -5.416 -4.835 -2.238 1.00 20.53 H new ATOM 0 HD12 ILE A 36 -6.814 -4.615 -1.159 1.00 20.53 H new ATOM 0 HD13 ILE A 36 -7.069 -5.001 -2.878 1.00 20.53 H new ATOM 599 N VAL A 37 -9.436 0.337 -3.281 1.00 40.51 N ATOM 600 CA VAL A 37 -10.726 0.977 -3.511 1.00 42.03 C ATOM 601 C VAL A 37 -11.124 0.898 -4.981 1.00 32.33 C ATOM 602 O VAL A 37 -10.357 0.423 -5.818 1.00 72.33 O ATOM 603 CB VAL A 37 -10.706 2.454 -3.075 1.00 43.12 C ATOM 604 CG1 VAL A 37 -10.914 2.570 -1.573 1.00 2.50 C ATOM 605 CG2 VAL A 37 -9.401 3.115 -3.494 1.00 20.02 C ATOM 0 H VAL A 37 -8.795 0.384 -4.073 1.00 40.51 H new ATOM 0 HA VAL A 37 -11.458 0.438 -2.909 1.00 42.03 H new ATOM 0 HB VAL A 37 -11.526 2.973 -3.572 1.00 43.12 H new ATOM 0 HG11 VAL A 37 -10.897 3.621 -1.283 1.00 2.50 H new ATOM 0 HG12 VAL A 37 -11.877 2.135 -1.304 1.00 2.50 H new ATOM 0 HG13 VAL A 37 -10.118 2.037 -1.053 1.00 2.50 H new ATOM 0 HG21 VAL A 37 -9.404 4.158 -3.178 1.00 20.02 H new ATOM 0 HG22 VAL A 37 -8.564 2.596 -3.026 1.00 20.02 H new ATOM 0 HG23 VAL A 37 -9.299 3.064 -4.578 1.00 20.02 H new ATOM 615 N VAL A 38 -12.330 1.367 -5.288 1.00 24.34 N ATOM 616 CA VAL A 38 -12.830 1.351 -6.657 1.00 33.42 C ATOM 617 C VAL A 38 -12.871 2.757 -7.244 1.00 12.25 C ATOM 618 O VAL A 38 -13.147 3.726 -6.538 1.00 15.44 O ATOM 619 CB VAL A 38 -14.240 0.734 -6.732 1.00 24.31 C ATOM 620 CG1 VAL A 38 -15.111 1.252 -5.597 1.00 65.35 C ATOM 621 CG2 VAL A 38 -14.878 1.027 -8.081 1.00 63.54 C ATOM 0 H VAL A 38 -12.978 1.762 -4.607 1.00 24.34 H new ATOM 0 HA VAL A 38 -12.141 0.738 -7.238 1.00 33.42 H new ATOM 0 HB VAL A 38 -14.151 -0.347 -6.625 1.00 24.31 H new ATOM 0 HG11 VAL A 38 -16.103 0.805 -5.666 1.00 65.35 H new ATOM 0 HG12 VAL A 38 -14.659 0.986 -4.641 1.00 65.35 H new ATOM 0 HG13 VAL A 38 -15.196 2.336 -5.669 1.00 65.35 H new ATOM 0 HG21 VAL A 38 -15.873 0.584 -8.117 1.00 63.54 H new ATOM 0 HG22 VAL A 38 -14.956 2.105 -8.220 1.00 63.54 H new ATOM 0 HG23 VAL A 38 -14.263 0.602 -8.874 1.00 63.54 H new ATOM 631 N GLU A 39 -12.595 2.860 -8.540 1.00 3.12 N ATOM 632 CA GLU A 39 -12.600 4.149 -9.221 1.00 42.32 C ATOM 633 C GLU A 39 -13.725 4.216 -10.250 1.00 43.31 C ATOM 634 O GLU A 39 -14.442 5.213 -10.339 1.00 71.10 O ATOM 635 CB GLU A 39 -11.253 4.395 -9.905 1.00 12.22 C ATOM 636 CG GLU A 39 -10.220 5.044 -8.999 1.00 30.43 C ATOM 637 CD GLU A 39 -10.201 6.555 -9.123 1.00 70.35 C ATOM 638 OE1 GLU A 39 -10.444 7.062 -10.238 1.00 61.34 O ATOM 639 OE2 GLU A 39 -9.943 7.230 -8.105 1.00 52.21 O ATOM 0 H GLU A 39 -12.365 2.067 -9.139 1.00 3.12 H new ATOM 0 HA GLU A 39 -12.767 4.925 -8.474 1.00 42.32 H new ATOM 0 HB2 GLU A 39 -10.860 3.445 -10.268 1.00 12.22 H new ATOM 0 HB3 GLU A 39 -11.409 5.030 -10.778 1.00 12.22 H new ATOM 0 HG2 GLU A 39 -10.427 4.771 -7.964 1.00 30.43 H new ATOM 0 HG3 GLU A 39 -9.232 4.651 -9.241 1.00 30.43 H new ATOM 646 N LYS A 40 -13.872 3.148 -11.027 1.00 15.43 N ATOM 647 CA LYS A 40 -14.909 3.083 -12.050 1.00 14.23 C ATOM 648 C LYS A 40 -15.825 1.885 -11.821 1.00 64.43 C ATOM 649 O LYS A 40 -15.584 1.069 -10.931 1.00 60.43 O ATOM 650 CB LYS A 40 -14.277 2.998 -13.441 1.00 34.01 C ATOM 651 CG LYS A 40 -14.130 4.346 -14.125 1.00 64.25 C ATOM 652 CD LYS A 40 -13.150 5.242 -13.386 1.00 54.23 C ATOM 653 CE LYS A 40 -11.782 4.589 -13.261 1.00 15.22 C ATOM 654 NZ LYS A 40 -10.700 5.598 -13.089 1.00 72.52 N ATOM 0 H LYS A 40 -13.286 2.315 -10.968 1.00 15.43 H new ATOM 0 HA LYS A 40 -15.507 3.992 -11.985 1.00 14.23 H new ATOM 0 HB2 LYS A 40 -13.295 2.534 -13.357 1.00 34.01 H new ATOM 0 HB3 LYS A 40 -14.885 2.346 -14.068 1.00 34.01 H new ATOM 0 HG2 LYS A 40 -13.789 4.200 -15.150 1.00 64.25 H new ATOM 0 HG3 LYS A 40 -15.102 4.836 -14.179 1.00 64.25 H new ATOM 0 HD2 LYS A 40 -13.054 6.191 -13.913 1.00 54.23 H new ATOM 0 HD3 LYS A 40 -13.539 5.467 -12.393 1.00 54.23 H new ATOM 0 HE2 LYS A 40 -11.781 3.907 -12.411 1.00 15.22 H new ATOM 0 HE3 LYS A 40 -11.583 3.990 -14.150 1.00 15.22 H new ATOM 0 HZ1 LYS A 40 -9.774 5.130 -13.160 1.00 72.52 H new ATOM 0 HZ2 LYS A 40 -10.780 6.322 -13.831 1.00 72.52 H new ATOM 0 HZ3 LYS A 40 -10.790 6.047 -12.155 1.00 72.52 H new ATOM 668 N ASP A 41 -16.873 1.784 -12.631 1.00 32.04 N ATOM 669 CA ASP A 41 -17.823 0.683 -12.518 1.00 50.22 C ATOM 670 C ASP A 41 -18.988 0.870 -13.485 1.00 61.44 C ATOM 671 O ASP A 41 -19.180 1.950 -14.041 1.00 44.23 O ATOM 672 CB ASP A 41 -18.346 0.577 -11.085 1.00 11.12 C ATOM 673 CG ASP A 41 -18.577 1.935 -10.451 1.00 21.22 C ATOM 674 OD1 ASP A 41 -19.490 2.655 -10.907 1.00 24.51 O ATOM 675 OD2 ASP A 41 -17.844 2.278 -9.499 1.00 73.11 O ATOM 0 H ASP A 41 -17.086 2.451 -13.373 1.00 32.04 H new ATOM 0 HA ASP A 41 -17.304 -0.240 -12.776 1.00 50.22 H new ATOM 0 HB2 ASP A 41 -19.280 0.015 -11.083 1.00 11.12 H new ATOM 0 HB3 ASP A 41 -17.633 0.014 -10.482 1.00 11.12 H new ATOM 680 N GLY A 42 -19.763 -0.193 -13.682 1.00 51.43 N ATOM 681 CA GLY A 42 -20.899 -0.126 -14.584 1.00 5.54 C ATOM 682 C GLY A 42 -20.671 -0.907 -15.862 1.00 62.12 C ATOM 683 O GLY A 42 -21.174 -2.020 -16.017 1.00 22.22 O ATOM 0 H GLY A 42 -19.625 -1.099 -13.233 1.00 51.43 H new ATOM 0 HA2 GLY A 42 -21.784 -0.513 -14.078 1.00 5.54 H new ATOM 0 HA3 GLY A 42 -21.103 0.916 -14.830 1.00 5.54 H new ATOM 687 N LYS A 43 -19.911 -0.323 -16.783 1.00 75.52 N ATOM 688 CA LYS A 43 -19.618 -0.971 -18.056 1.00 63.20 C ATOM 689 C LYS A 43 -18.721 -0.090 -18.921 1.00 34.53 C ATOM 690 O LYS A 43 -18.668 1.125 -18.739 1.00 51.12 O ATOM 691 CB LYS A 43 -20.916 -1.286 -18.803 1.00 44.33 C ATOM 692 CG LYS A 43 -21.067 -2.752 -19.168 1.00 73.24 C ATOM 693 CD LYS A 43 -22.526 -3.130 -19.364 1.00 61.13 C ATOM 694 CE LYS A 43 -22.786 -4.574 -18.964 1.00 71.33 C ATOM 695 NZ LYS A 43 -22.755 -5.489 -20.139 1.00 35.43 N ATOM 0 H LYS A 43 -19.487 0.598 -16.671 1.00 75.52 H new ATOM 0 HA LYS A 43 -19.091 -1.902 -17.848 1.00 63.20 H new ATOM 0 HB2 LYS A 43 -21.763 -0.985 -18.186 1.00 44.33 H new ATOM 0 HB3 LYS A 43 -20.956 -0.688 -19.713 1.00 44.33 H new ATOM 0 HG2 LYS A 43 -20.510 -2.960 -20.082 1.00 73.24 H new ATOM 0 HG3 LYS A 43 -20.632 -3.370 -18.383 1.00 73.24 H new ATOM 0 HD2 LYS A 43 -23.157 -2.468 -18.771 1.00 61.13 H new ATOM 0 HD3 LYS A 43 -22.803 -2.985 -20.408 1.00 61.13 H new ATOM 0 HE2 LYS A 43 -22.037 -4.890 -18.238 1.00 71.33 H new ATOM 0 HE3 LYS A 43 -23.757 -4.646 -18.473 1.00 71.33 H new ATOM 0 HZ1 LYS A 43 -22.937 -6.464 -19.825 1.00 35.43 H new ATOM 0 HZ2 LYS A 43 -23.486 -5.203 -20.821 1.00 35.43 H new ATOM 0 HZ3 LYS A 43 -21.820 -5.440 -20.593 1.00 35.43 H new ATOM 709 N GLY A 44 -18.019 -0.713 -19.863 1.00 53.41 N ATOM 710 CA GLY A 44 -17.136 0.031 -20.743 1.00 31.25 C ATOM 711 C GLY A 44 -15.883 -0.745 -21.097 1.00 30.04 C ATOM 712 O GLY A 44 -14.876 -0.665 -20.394 1.00 34.30 O ATOM 0 H GLY A 44 -18.046 -1.718 -20.032 1.00 53.41 H new ATOM 0 HA2 GLY A 44 -17.671 0.288 -21.657 1.00 31.25 H new ATOM 0 HA3 GLY A 44 -16.856 0.969 -20.263 1.00 31.25 H new ATOM 716 N ASN A 45 -15.945 -1.499 -22.189 1.00 61.41 N ATOM 717 CA ASN A 45 -14.807 -2.295 -22.634 1.00 25.21 C ATOM 718 C ASN A 45 -13.607 -1.404 -22.941 1.00 24.24 C ATOM 719 O ASN A 45 -13.535 -0.263 -22.485 1.00 74.22 O ATOM 720 CB ASN A 45 -15.181 -3.110 -23.873 1.00 63.35 C ATOM 721 CG ASN A 45 -15.245 -2.259 -25.127 1.00 73.51 C ATOM 722 OD1 ASN A 45 -14.302 -2.227 -25.918 1.00 13.32 O ATOM 723 ND2 ASN A 45 -16.362 -1.565 -25.314 1.00 21.40 N ATOM 0 H ASN A 45 -16.771 -1.576 -22.782 1.00 61.41 H new ATOM 0 HA ASN A 45 -14.535 -2.976 -21.828 1.00 25.21 H new ATOM 0 HB2 ASN A 45 -14.451 -3.907 -24.015 1.00 63.35 H new ATOM 0 HB3 ASN A 45 -16.147 -3.588 -23.712 1.00 63.35 H new ATOM 0 HD21 ASN A 45 -16.464 -0.975 -26.140 1.00 21.40 H new ATOM 0 HD22 ASN A 45 -17.118 -1.622 -24.632 1.00 21.40 H new ATOM 730 N ALA A 46 -12.666 -1.934 -23.716 1.00 52.21 N ATOM 731 CA ALA A 46 -11.471 -1.186 -24.086 1.00 62.21 C ATOM 732 C ALA A 46 -11.819 0.244 -24.484 1.00 50.02 C ATOM 733 O ALA A 46 -11.061 1.176 -24.213 1.00 74.22 O ATOM 734 CB ALA A 46 -10.739 -1.889 -25.220 1.00 51.43 C ATOM 0 H ALA A 46 -12.708 -2.878 -24.099 1.00 52.21 H new ATOM 0 HA ALA A 46 -10.815 -1.143 -23.216 1.00 62.21 H new ATOM 0 HB1 ALA A 46 -9.849 -1.320 -25.486 1.00 51.43 H new ATOM 0 HB2 ALA A 46 -10.448 -2.889 -24.900 1.00 51.43 H new ATOM 0 HB3 ALA A 46 -11.396 -1.962 -26.087 1.00 51.43 H new ATOM 740 N ASP A 47 -12.969 0.410 -25.129 1.00 5.41 N ATOM 741 CA ASP A 47 -13.417 1.728 -25.564 1.00 73.12 C ATOM 742 C ASP A 47 -13.341 2.734 -24.420 1.00 32.53 C ATOM 743 O ASP A 47 -12.870 3.856 -24.598 1.00 40.12 O ATOM 744 CB ASP A 47 -14.848 1.652 -26.099 1.00 33.14 C ATOM 745 CG ASP A 47 -14.960 2.145 -27.528 1.00 4.12 C ATOM 746 OD1 ASP A 47 -14.392 1.490 -28.427 1.00 0.52 O ATOM 747 OD2 ASP A 47 -15.614 3.186 -27.747 1.00 43.43 O ATOM 0 H ASP A 47 -13.607 -0.351 -25.362 1.00 5.41 H new ATOM 0 HA ASP A 47 -12.756 2.064 -26.363 1.00 73.12 H new ATOM 0 HB2 ASP A 47 -15.198 0.621 -26.045 1.00 33.14 H new ATOM 0 HB3 ASP A 47 -15.503 2.245 -25.461 1.00 33.14 H new ATOM 752 N GLU A 48 -13.809 2.322 -23.245 1.00 51.42 N ATOM 753 CA GLU A 48 -13.795 3.189 -22.073 1.00 33.15 C ATOM 754 C GLU A 48 -12.459 3.094 -21.341 1.00 73.33 C ATOM 755 O GLU A 48 -11.910 4.101 -20.896 1.00 3.25 O ATOM 756 CB GLU A 48 -14.936 2.818 -21.123 1.00 74.41 C ATOM 757 CG GLU A 48 -16.289 3.359 -21.555 1.00 44.25 C ATOM 758 CD GLU A 48 -16.352 4.874 -21.510 1.00 71.40 C ATOM 759 OE1 GLU A 48 -15.555 5.478 -20.762 1.00 34.12 O ATOM 760 OE2 GLU A 48 -17.198 5.454 -22.222 1.00 1.12 O ATOM 0 H GLU A 48 -14.202 1.395 -23.080 1.00 51.42 H new ATOM 0 HA GLU A 48 -13.932 4.216 -22.412 1.00 33.15 H new ATOM 0 HB2 GLU A 48 -14.996 1.732 -21.047 1.00 74.41 H new ATOM 0 HB3 GLU A 48 -14.705 3.195 -20.127 1.00 74.41 H new ATOM 0 HG2 GLU A 48 -16.505 3.020 -22.568 1.00 44.25 H new ATOM 0 HG3 GLU A 48 -17.064 2.947 -20.909 1.00 44.25 H new ATOM 767 N PHE A 49 -11.943 1.875 -21.222 1.00 4.24 N ATOM 768 CA PHE A 49 -10.672 1.647 -20.543 1.00 71.14 C ATOM 769 C PHE A 49 -9.556 2.462 -21.191 1.00 20.45 C ATOM 770 O PHE A 49 -8.546 2.764 -20.556 1.00 4.34 O ATOM 771 CB PHE A 49 -10.315 0.159 -20.571 1.00 41.33 C ATOM 772 CG PHE A 49 -8.918 -0.131 -20.103 1.00 4.42 C ATOM 773 CD1 PHE A 49 -8.515 0.218 -18.824 1.00 33.14 C ATOM 774 CD2 PHE A 49 -8.006 -0.751 -20.942 1.00 32.20 C ATOM 775 CE1 PHE A 49 -7.230 -0.048 -18.389 1.00 53.21 C ATOM 776 CE2 PHE A 49 -6.720 -1.020 -20.513 1.00 12.30 C ATOM 777 CZ PHE A 49 -6.331 -0.667 -19.235 1.00 53.55 C ATOM 0 H PHE A 49 -12.385 1.031 -21.586 1.00 4.24 H new ATOM 0 HA PHE A 49 -10.778 1.969 -19.507 1.00 71.14 H new ATOM 0 HB2 PHE A 49 -11.020 -0.387 -19.945 1.00 41.33 H new ATOM 0 HB3 PHE A 49 -10.434 -0.216 -21.587 1.00 41.33 H new ATOM 0 HD1 PHE A 49 -9.213 0.704 -18.159 1.00 33.14 H new ATOM 0 HD2 PHE A 49 -8.304 -1.027 -21.943 1.00 32.20 H new ATOM 0 HE1 PHE A 49 -6.930 0.228 -17.389 1.00 53.21 H new ATOM 0 HE2 PHE A 49 -6.020 -1.506 -21.176 1.00 12.30 H new ATOM 0 HZ PHE A 49 -5.326 -0.875 -18.898 1.00 53.55 H new ATOM 787 N ARG A 50 -9.747 2.813 -22.458 1.00 65.21 N ATOM 788 CA ARG A 50 -8.756 3.591 -23.193 1.00 30.45 C ATOM 789 C ARG A 50 -8.967 5.086 -22.973 1.00 30.22 C ATOM 790 O ARG A 50 -8.054 5.887 -23.168 1.00 54.24 O ATOM 791 CB ARG A 50 -8.829 3.269 -24.686 1.00 62.53 C ATOM 792 CG ARG A 50 -10.094 3.777 -25.358 1.00 42.31 C ATOM 793 CD ARG A 50 -9.773 4.646 -26.565 1.00 31.35 C ATOM 794 NE ARG A 50 -9.558 6.042 -26.193 1.00 31.44 N ATOM 795 CZ ARG A 50 -9.024 6.945 -27.007 1.00 13.32 C ATOM 796 NH1 ARG A 50 -8.654 6.601 -28.232 1.00 42.35 N ATOM 797 NH2 ARG A 50 -8.861 8.196 -26.596 1.00 2.24 N ATOM 0 H ARG A 50 -10.578 2.571 -22.997 1.00 65.21 H new ATOM 0 HA ARG A 50 -7.768 3.322 -22.818 1.00 30.45 H new ATOM 0 HB2 ARG A 50 -7.963 3.703 -25.185 1.00 62.53 H new ATOM 0 HB3 ARG A 50 -8.765 2.189 -24.820 1.00 62.53 H new ATOM 0 HG2 ARG A 50 -10.707 2.931 -25.670 1.00 42.31 H new ATOM 0 HG3 ARG A 50 -10.683 4.350 -24.642 1.00 42.31 H new ATOM 0 HD2 ARG A 50 -8.882 4.262 -27.061 1.00 31.35 H new ATOM 0 HD3 ARG A 50 -10.590 4.584 -27.284 1.00 31.35 H new ATOM 0 HE ARG A 50 -9.833 6.339 -25.257 1.00 31.44 H new ATOM 0 HH11 ARG A 50 -8.779 5.641 -28.552 1.00 42.35 H new ATOM 0 HH12 ARG A 50 -8.244 7.297 -28.855 1.00 42.35 H new ATOM 0 HH21 ARG A 50 -9.146 8.465 -25.654 1.00 2.24 H new ATOM 0 HH22 ARG A 50 -8.451 8.889 -27.222 1.00 2.24 H new ATOM 811 N GLY A 51 -10.178 5.454 -22.565 1.00 60.12 N ATOM 812 CA GLY A 51 -10.487 6.852 -22.326 1.00 72.54 C ATOM 813 C GLY A 51 -10.949 7.109 -20.906 1.00 22.34 C ATOM 814 O GLY A 51 -11.574 8.131 -20.624 1.00 71.54 O ATOM 0 H GLY A 51 -10.950 4.809 -22.396 1.00 60.12 H new ATOM 0 HA2 GLY A 51 -9.604 7.457 -22.532 1.00 72.54 H new ATOM 0 HA3 GLY A 51 -11.263 7.173 -23.021 1.00 72.54 H new ATOM 818 N ALA A 52 -10.642 6.178 -20.008 1.00 5.32 N ATOM 819 CA ALA A 52 -11.029 6.309 -18.609 1.00 2.43 C ATOM 820 C ALA A 52 -9.803 6.384 -17.704 1.00 71.15 C ATOM 821 O ALA A 52 -9.709 7.256 -16.840 1.00 1.13 O ATOM 822 CB ALA A 52 -11.921 5.148 -18.197 1.00 21.31 C ATOM 0 H ALA A 52 -10.126 5.325 -20.225 1.00 5.32 H new ATOM 0 HA ALA A 52 -11.587 7.239 -18.498 1.00 2.43 H new ATOM 0 HB1 ALA A 52 -12.202 5.259 -17.150 1.00 21.31 H new ATOM 0 HB2 ALA A 52 -12.819 5.142 -18.815 1.00 21.31 H new ATOM 0 HB3 ALA A 52 -11.382 4.210 -18.330 1.00 21.31 H new ATOM 828 N LEU A 53 -8.866 5.464 -17.909 1.00 14.43 N ATOM 829 CA LEU A 53 -7.646 5.426 -17.111 1.00 24.51 C ATOM 830 C LEU A 53 -7.010 6.809 -17.020 1.00 41.15 C ATOM 831 O LEU A 53 -6.999 7.578 -17.982 1.00 3.11 O ATOM 832 CB LEU A 53 -6.650 4.433 -17.714 1.00 32.20 C ATOM 833 CG LEU A 53 -6.677 3.019 -17.133 1.00 20.31 C ATOM 834 CD1 LEU A 53 -5.782 2.929 -15.907 1.00 31.45 C ATOM 835 CD2 LEU A 53 -8.102 2.611 -16.787 1.00 3.12 C ATOM 0 H LEU A 53 -8.928 4.736 -18.620 1.00 14.43 H new ATOM 0 HA LEU A 53 -7.910 5.102 -16.104 1.00 24.51 H new ATOM 0 HB2 LEU A 53 -6.837 4.367 -18.786 1.00 32.20 H new ATOM 0 HB3 LEU A 53 -5.645 4.836 -17.590 1.00 32.20 H new ATOM 0 HG LEU A 53 -6.296 2.330 -17.887 1.00 20.31 H new ATOM 0 HD11 LEU A 53 -5.814 1.916 -15.507 1.00 31.45 H new ATOM 0 HD12 LEU A 53 -4.758 3.177 -16.185 1.00 31.45 H new ATOM 0 HD13 LEU A 53 -6.132 3.629 -15.149 1.00 31.45 H new ATOM 0 HD21 LEU A 53 -8.102 1.602 -16.375 1.00 3.12 H new ATOM 0 HD22 LEU A 53 -8.510 3.304 -16.051 1.00 3.12 H new ATOM 0 HD23 LEU A 53 -8.716 2.635 -17.687 1.00 3.12 H new ATOM 847 N PRO A 54 -6.466 7.134 -15.839 1.00 5.34 N ATOM 848 CA PRO A 54 -5.815 8.425 -15.595 1.00 50.31 C ATOM 849 C PRO A 54 -4.497 8.562 -16.350 1.00 54.14 C ATOM 850 O PRO A 54 -3.764 7.588 -16.519 1.00 40.52 O ATOM 851 CB PRO A 54 -5.567 8.418 -14.085 1.00 12.34 C ATOM 852 CG PRO A 54 -5.498 6.976 -13.719 1.00 23.23 C ATOM 853 CD PRO A 54 -6.443 6.267 -14.649 1.00 64.30 C ATOM 0 HA PRO A 54 -6.427 9.260 -15.937 1.00 50.31 H new ATOM 0 HB2 PRO A 54 -4.641 8.935 -13.834 1.00 12.34 H new ATOM 0 HB3 PRO A 54 -6.370 8.924 -13.550 1.00 12.34 H new ATOM 0 HG2 PRO A 54 -4.483 6.594 -13.828 1.00 23.23 H new ATOM 0 HG3 PRO A 54 -5.786 6.823 -12.679 1.00 23.23 H new ATOM 0 HD2 PRO A 54 -6.092 5.263 -14.890 1.00 64.30 H new ATOM 0 HD3 PRO A 54 -7.435 6.161 -14.210 1.00 64.30 H new ATOM 861 N ALA A 55 -4.203 9.777 -16.802 1.00 72.34 N ATOM 862 CA ALA A 55 -2.973 10.041 -17.537 1.00 65.25 C ATOM 863 C ALA A 55 -1.799 10.251 -16.586 1.00 54.43 C ATOM 864 O ALA A 55 -0.643 10.064 -16.961 1.00 61.24 O ATOM 865 CB ALA A 55 -3.147 11.253 -18.440 1.00 42.22 C ATOM 0 H ALA A 55 -4.800 10.594 -16.672 1.00 72.34 H new ATOM 0 HA ALA A 55 -2.755 9.170 -18.155 1.00 65.25 H new ATOM 0 HB1 ALA A 55 -2.220 11.438 -18.983 1.00 42.22 H new ATOM 0 HB2 ALA A 55 -3.952 11.065 -19.150 1.00 42.22 H new ATOM 0 HB3 ALA A 55 -3.394 12.125 -17.835 1.00 42.22 H new ATOM 871 N ASN A 56 -2.106 10.643 -15.354 1.00 2.02 N ATOM 872 CA ASN A 56 -1.076 10.880 -14.349 1.00 2.50 C ATOM 873 C ASN A 56 -1.265 9.960 -13.147 1.00 74.33 C ATOM 874 O ASN A 56 -1.061 10.366 -12.003 1.00 74.51 O ATOM 875 CB ASN A 56 -1.103 12.342 -13.896 1.00 34.55 C ATOM 876 CG ASN A 56 -1.176 13.308 -15.062 1.00 70.31 C ATOM 877 OD1 ASN A 56 -0.359 13.251 -15.981 1.00 42.11 O ATOM 878 ND2 ASN A 56 -2.158 14.201 -15.030 1.00 2.32 N ATOM 0 H ASN A 56 -3.059 10.803 -15.028 1.00 2.02 H new ATOM 0 HA ASN A 56 -0.108 10.664 -14.800 1.00 2.50 H new ATOM 0 HB2 ASN A 56 -1.960 12.501 -13.242 1.00 34.55 H new ATOM 0 HB3 ASN A 56 -0.210 12.554 -13.308 1.00 34.55 H new ATOM 0 HD21 ASN A 56 -2.258 14.877 -15.788 1.00 2.32 H new ATOM 0 HD22 ASN A 56 -2.813 14.211 -14.248 1.00 2.32 H new ATOM 885 N ASP A 57 -1.656 8.719 -13.416 1.00 33.11 N ATOM 886 CA ASP A 57 -1.872 7.739 -12.357 1.00 50.24 C ATOM 887 C ASP A 57 -2.070 6.344 -12.941 1.00 20.43 C ATOM 888 O ASP A 57 -2.262 6.186 -14.147 1.00 20.20 O ATOM 889 CB ASP A 57 -3.086 8.129 -11.512 1.00 44.00 C ATOM 890 CG ASP A 57 -2.755 8.229 -10.036 1.00 2.51 C ATOM 891 OD1 ASP A 57 -2.414 7.191 -9.433 1.00 34.34 O ATOM 892 OD2 ASP A 57 -2.837 9.347 -9.484 1.00 32.22 O ATOM 0 H ASP A 57 -1.830 8.368 -14.358 1.00 33.11 H new ATOM 0 HA ASP A 57 -0.986 7.725 -11.722 1.00 50.24 H new ATOM 0 HB2 ASP A 57 -3.475 9.086 -11.860 1.00 44.00 H new ATOM 0 HB3 ASP A 57 -3.877 7.392 -11.655 1.00 44.00 H new ATOM 897 N CYS A 58 -2.021 5.335 -12.078 1.00 2.03 N ATOM 898 CA CYS A 58 -2.193 3.952 -12.508 1.00 22.24 C ATOM 899 C CYS A 58 -3.470 3.356 -11.925 1.00 12.22 C ATOM 900 O CYS A 58 -3.955 3.799 -10.883 1.00 43.44 O ATOM 901 CB CYS A 58 -0.986 3.112 -12.088 1.00 30.55 C ATOM 902 SG CYS A 58 -0.459 1.905 -13.327 1.00 32.01 S ATOM 0 H CYS A 58 -1.864 5.449 -11.077 1.00 2.03 H new ATOM 0 HA CYS A 58 -2.273 3.943 -13.595 1.00 22.24 H new ATOM 0 HB2 CYS A 58 -0.152 3.778 -11.868 1.00 30.55 H new ATOM 0 HB3 CYS A 58 -1.227 2.587 -11.164 1.00 30.55 H new ATOM 0 HG CYS A 58 0.569 1.246 -12.881 1.00 32.01 H new ATOM 908 N ARG A 59 -4.012 2.351 -12.604 1.00 63.45 N ATOM 909 CA ARG A 59 -5.235 1.696 -12.156 1.00 2.23 C ATOM 910 C ARG A 59 -5.407 0.341 -12.835 1.00 60.13 C ATOM 911 O ARG A 59 -4.967 0.142 -13.968 1.00 53.31 O ATOM 912 CB ARG A 59 -6.448 2.582 -12.445 1.00 71.33 C ATOM 913 CG ARG A 59 -7.100 3.150 -11.195 1.00 64.02 C ATOM 914 CD ARG A 59 -7.797 4.471 -11.482 1.00 30.44 C ATOM 915 NE ARG A 59 -7.370 5.525 -10.566 1.00 43.11 N ATOM 916 CZ ARG A 59 -7.569 6.819 -10.791 1.00 42.02 C ATOM 917 NH1 ARG A 59 -8.186 7.216 -11.896 1.00 22.14 N ATOM 918 NH2 ARG A 59 -7.151 7.719 -9.910 1.00 62.03 N ATOM 0 H ARG A 59 -3.623 1.972 -13.467 1.00 63.45 H new ATOM 0 HA ARG A 59 -5.159 1.536 -11.081 1.00 2.23 H new ATOM 0 HB2 ARG A 59 -6.140 3.405 -13.090 1.00 71.33 H new ATOM 0 HB3 ARG A 59 -7.187 2.002 -12.998 1.00 71.33 H new ATOM 0 HG2 ARG A 59 -7.822 2.434 -10.802 1.00 64.02 H new ATOM 0 HG3 ARG A 59 -6.344 3.296 -10.423 1.00 64.02 H new ATOM 0 HD2 ARG A 59 -7.589 4.776 -12.508 1.00 30.44 H new ATOM 0 HD3 ARG A 59 -8.876 4.337 -11.402 1.00 30.44 H new ATOM 0 HE ARG A 59 -6.893 5.253 -9.707 1.00 43.11 H new ATOM 0 HH11 ARG A 59 -8.509 6.527 -12.575 1.00 22.14 H new ATOM 0 HH12 ARG A 59 -8.338 8.210 -12.066 1.00 22.14 H new ATOM 0 HH21 ARG A 59 -6.676 7.417 -9.059 1.00 62.03 H new ATOM 0 HH22 ARG A 59 -7.304 8.712 -10.084 1.00 62.03 H new ATOM 932 N PHE A 60 -6.049 -0.589 -12.136 1.00 0.34 N ATOM 933 CA PHE A 60 -6.278 -1.926 -12.670 1.00 51.14 C ATOM 934 C PHE A 60 -7.769 -2.184 -12.869 1.00 63.14 C ATOM 935 O PHE A 60 -8.579 -1.922 -11.982 1.00 13.31 O ATOM 936 CB PHE A 60 -5.687 -2.981 -11.733 1.00 62.24 C ATOM 937 CG PHE A 60 -4.683 -2.427 -10.764 1.00 5.21 C ATOM 938 CD1 PHE A 60 -3.367 -2.225 -11.149 1.00 22.14 C ATOM 939 CD2 PHE A 60 -5.054 -2.107 -9.468 1.00 52.11 C ATOM 940 CE1 PHE A 60 -2.441 -1.716 -10.258 1.00 44.12 C ATOM 941 CE2 PHE A 60 -4.132 -1.597 -8.573 1.00 54.12 C ATOM 942 CZ PHE A 60 -2.824 -1.400 -8.969 1.00 71.23 C ATOM 0 H PHE A 60 -6.420 -0.441 -11.198 1.00 0.34 H new ATOM 0 HA PHE A 60 -5.783 -1.993 -13.639 1.00 51.14 H new ATOM 0 HB2 PHE A 60 -6.495 -3.454 -11.175 1.00 62.24 H new ATOM 0 HB3 PHE A 60 -5.213 -3.760 -12.329 1.00 62.24 H new ATOM 0 HD1 PHE A 60 -3.062 -2.468 -12.156 1.00 22.14 H new ATOM 0 HD2 PHE A 60 -6.076 -2.258 -9.153 1.00 52.11 H new ATOM 0 HE1 PHE A 60 -1.418 -1.565 -10.570 1.00 44.12 H new ATOM 0 HE2 PHE A 60 -4.434 -1.353 -7.565 1.00 54.12 H new ATOM 0 HZ PHE A 60 -2.102 -1.000 -8.273 1.00 71.23 H new ATOM 952 N GLY A 61 -8.123 -2.700 -14.043 1.00 24.23 N ATOM 953 CA GLY A 61 -9.515 -2.985 -14.338 1.00 44.23 C ATOM 954 C GLY A 61 -9.760 -4.455 -14.616 1.00 5.30 C ATOM 955 O GLY A 61 -8.981 -5.099 -15.319 1.00 31.43 O ATOM 0 H GLY A 61 -7.471 -2.925 -14.794 1.00 24.23 H new ATOM 0 HA2 GLY A 61 -10.133 -2.669 -13.498 1.00 44.23 H new ATOM 0 HA3 GLY A 61 -9.828 -2.398 -15.202 1.00 44.23 H new ATOM 959 N VAL A 62 -10.844 -4.987 -14.062 1.00 20.44 N ATOM 960 CA VAL A 62 -11.189 -6.391 -14.253 1.00 13.03 C ATOM 961 C VAL A 62 -12.537 -6.535 -14.950 1.00 72.32 C ATOM 962 O VAL A 62 -13.534 -5.951 -14.525 1.00 21.04 O ATOM 963 CB VAL A 62 -11.235 -7.145 -12.911 1.00 23.53 C ATOM 964 CG1 VAL A 62 -9.828 -7.389 -12.387 1.00 65.20 C ATOM 965 CG2 VAL A 62 -12.065 -6.375 -11.895 1.00 25.23 C ATOM 0 H VAL A 62 -11.499 -4.467 -13.477 1.00 20.44 H new ATOM 0 HA VAL A 62 -10.410 -6.826 -14.879 1.00 13.03 H new ATOM 0 HB VAL A 62 -11.709 -8.113 -13.074 1.00 23.53 H new ATOM 0 HG11 VAL A 62 -9.881 -7.923 -11.438 1.00 65.20 H new ATOM 0 HG12 VAL A 62 -9.269 -7.985 -13.108 1.00 65.20 H new ATOM 0 HG13 VAL A 62 -9.324 -6.434 -12.238 1.00 65.20 H new ATOM 0 HG21 VAL A 62 -12.087 -6.923 -10.953 1.00 25.23 H new ATOM 0 HG22 VAL A 62 -11.622 -5.392 -11.733 1.00 25.23 H new ATOM 0 HG23 VAL A 62 -13.082 -6.258 -12.270 1.00 25.23 H new ATOM 975 N TYR A 63 -12.561 -7.317 -16.024 1.00 23.34 N ATOM 976 CA TYR A 63 -13.786 -7.537 -16.782 1.00 72.42 C ATOM 977 C TYR A 63 -13.892 -8.990 -17.236 1.00 75.12 C ATOM 978 O TYR A 63 -13.015 -9.500 -17.933 1.00 23.45 O ATOM 979 CB TYR A 63 -13.834 -6.607 -17.996 1.00 22.43 C ATOM 980 CG TYR A 63 -12.553 -6.595 -18.800 1.00 13.04 C ATOM 981 CD1 TYR A 63 -11.521 -5.721 -18.485 1.00 5.51 C ATOM 982 CD2 TYR A 63 -12.376 -7.459 -19.874 1.00 1.35 C ATOM 983 CE1 TYR A 63 -10.349 -5.705 -19.217 1.00 74.33 C ATOM 984 CE2 TYR A 63 -11.207 -7.452 -20.611 1.00 15.54 C ATOM 985 CZ TYR A 63 -10.197 -6.573 -20.279 1.00 15.21 C ATOM 986 OH TYR A 63 -9.032 -6.562 -21.010 1.00 3.30 O ATOM 0 H TYR A 63 -11.745 -7.809 -16.389 1.00 23.34 H new ATOM 0 HA TYR A 63 -14.631 -7.316 -16.130 1.00 72.42 H new ATOM 0 HB2 TYR A 63 -14.657 -6.910 -18.643 1.00 22.43 H new ATOM 0 HB3 TYR A 63 -14.051 -5.594 -17.659 1.00 22.43 H new ATOM 0 HD1 TYR A 63 -11.636 -5.042 -17.653 1.00 5.51 H new ATOM 0 HD2 TYR A 63 -13.165 -8.148 -20.137 1.00 1.35 H new ATOM 0 HE1 TYR A 63 -9.557 -5.017 -18.960 1.00 74.33 H new ATOM 0 HE2 TYR A 63 -11.085 -8.131 -21.442 1.00 15.54 H new ATOM 0 HH TYR A 63 -8.283 -6.828 -20.436 1.00 3.30 H new ATOM 996 N ASP A 64 -14.974 -9.650 -16.837 1.00 50.01 N ATOM 997 CA ASP A 64 -15.198 -11.044 -17.203 1.00 40.33 C ATOM 998 C ASP A 64 -15.076 -11.235 -18.712 1.00 33.31 C ATOM 999 O ASP A 64 -15.992 -10.903 -19.466 1.00 30.24 O ATOM 1000 CB ASP A 64 -16.577 -11.503 -16.728 1.00 12.10 C ATOM 1001 CG ASP A 64 -17.033 -12.775 -17.416 1.00 40.40 C ATOM 1002 OD1 ASP A 64 -17.631 -12.676 -18.508 1.00 32.44 O ATOM 1003 OD2 ASP A 64 -16.792 -13.868 -16.863 1.00 32.15 O ATOM 0 H ASP A 64 -15.710 -9.242 -16.260 1.00 50.01 H new ATOM 0 HA ASP A 64 -14.435 -11.650 -16.715 1.00 40.33 H new ATOM 0 HB2 ASP A 64 -16.551 -11.665 -15.650 1.00 12.10 H new ATOM 0 HB3 ASP A 64 -17.304 -10.712 -16.914 1.00 12.10 H new ATOM 1008 N CYS A 65 -13.941 -11.771 -19.145 1.00 61.51 N ATOM 1009 CA CYS A 65 -13.698 -12.006 -20.564 1.00 55.43 C ATOM 1010 C CYS A 65 -14.304 -13.333 -21.007 1.00 71.45 C ATOM 1011 O CYS A 65 -14.351 -13.639 -22.198 1.00 72.31 O ATOM 1012 CB CYS A 65 -12.197 -11.994 -20.855 1.00 51.53 C ATOM 1013 SG CYS A 65 -11.785 -11.731 -22.596 1.00 43.40 S ATOM 0 H CYS A 65 -13.174 -12.051 -18.534 1.00 61.51 H new ATOM 0 HA CYS A 65 -14.176 -11.204 -21.127 1.00 55.43 H new ATOM 0 HB2 CYS A 65 -11.729 -11.210 -20.259 1.00 51.53 H new ATOM 0 HB3 CYS A 65 -11.767 -12.941 -20.530 1.00 51.53 H new ATOM 0 HG CYS A 65 -10.493 -11.735 -22.742 1.00 43.40 H new ATOM 1019 N GLY A 66 -14.765 -14.120 -20.040 1.00 33.12 N ATOM 1020 CA GLY A 66 -15.360 -15.407 -20.350 1.00 50.01 C ATOM 1021 C GLY A 66 -14.415 -16.562 -20.083 1.00 12.20 C ATOM 1022 O GLY A 66 -14.844 -17.643 -19.681 1.00 42.32 O ATOM 0 H GLY A 66 -14.737 -13.889 -19.047 1.00 33.12 H new ATOM 0 HA2 GLY A 66 -16.265 -15.538 -19.757 1.00 50.01 H new ATOM 0 HA3 GLY A 66 -15.660 -15.422 -21.398 1.00 50.01 H new ATOM 1026 N ASN A 67 -13.125 -16.333 -20.308 1.00 75.43 N ATOM 1027 CA ASN A 67 -12.117 -17.365 -20.091 1.00 53.24 C ATOM 1028 C ASN A 67 -11.152 -16.957 -18.982 1.00 72.42 C ATOM 1029 O ASN A 67 -10.492 -17.802 -18.377 1.00 31.12 O ATOM 1030 CB ASN A 67 -11.343 -17.631 -21.384 1.00 53.51 C ATOM 1031 CG ASN A 67 -11.887 -18.822 -22.149 1.00 41.10 C ATOM 1032 OD1 ASN A 67 -11.971 -19.929 -21.617 1.00 63.15 O ATOM 1033 ND2 ASN A 67 -12.259 -18.599 -23.404 1.00 72.11 N ATOM 0 H ASN A 67 -12.753 -15.443 -20.640 1.00 75.43 H new ATOM 0 HA ASN A 67 -12.627 -18.279 -19.787 1.00 53.24 H new ATOM 0 HB2 ASN A 67 -11.385 -16.745 -22.018 1.00 53.51 H new ATOM 0 HB3 ASN A 67 -10.293 -17.804 -21.147 1.00 53.51 H new ATOM 0 HD21 ASN A 67 -12.632 -19.362 -23.968 1.00 72.11 H new ATOM 0 HD22 ASN A 67 -12.171 -17.665 -23.804 1.00 72.11 H new ATOM 1040 N LYS A 68 -11.076 -15.657 -18.720 1.00 63.12 N ATOM 1041 CA LYS A 68 -10.193 -15.136 -17.683 1.00 15.30 C ATOM 1042 C LYS A 68 -10.393 -13.634 -17.503 1.00 32.20 C ATOM 1043 O LYS A 68 -11.180 -13.013 -18.218 1.00 61.34 O ATOM 1044 CB LYS A 68 -8.733 -15.428 -18.033 1.00 24.34 C ATOM 1045 CG LYS A 68 -8.256 -14.727 -19.293 1.00 14.54 C ATOM 1046 CD LYS A 68 -8.630 -15.508 -20.541 1.00 53.32 C ATOM 1047 CE LYS A 68 -9.653 -14.759 -21.382 1.00 0.22 C ATOM 1048 NZ LYS A 68 -9.510 -15.065 -22.832 1.00 71.11 N ATOM 0 H LYS A 68 -11.615 -14.944 -19.212 1.00 63.12 H new ATOM 0 HA LYS A 68 -10.442 -15.633 -16.746 1.00 15.30 H new ATOM 0 HB2 LYS A 68 -8.101 -15.126 -17.198 1.00 24.34 H new ATOM 0 HB3 LYS A 68 -8.606 -16.504 -18.156 1.00 24.34 H new ATOM 0 HG2 LYS A 68 -8.692 -13.729 -19.343 1.00 14.54 H new ATOM 0 HG3 LYS A 68 -7.174 -14.600 -19.253 1.00 14.54 H new ATOM 0 HD2 LYS A 68 -7.736 -15.696 -21.136 1.00 53.32 H new ATOM 0 HD3 LYS A 68 -9.033 -16.480 -20.256 1.00 53.32 H new ATOM 0 HE2 LYS A 68 -10.658 -15.024 -21.052 1.00 0.22 H new ATOM 0 HE3 LYS A 68 -9.538 -13.687 -21.224 1.00 0.22 H new ATOM 0 HZ1 LYS A 68 -10.277 -14.603 -23.362 1.00 71.11 H new ATOM 0 HZ2 LYS A 68 -8.593 -14.713 -23.172 1.00 71.11 H new ATOM 0 HZ3 LYS A 68 -9.561 -16.094 -22.976 1.00 71.11 H new ATOM 1062 N ILE A 69 -9.676 -13.057 -16.545 1.00 64.21 N ATOM 1063 CA ILE A 69 -9.773 -11.628 -16.274 1.00 61.30 C ATOM 1064 C ILE A 69 -8.503 -10.900 -16.702 1.00 54.12 C ATOM 1065 O ILE A 69 -7.541 -10.812 -15.941 1.00 25.11 O ATOM 1066 CB ILE A 69 -10.029 -11.355 -14.780 1.00 52.23 C ATOM 1067 CG1 ILE A 69 -11.142 -12.265 -14.256 1.00 52.34 C ATOM 1068 CG2 ILE A 69 -10.387 -9.892 -14.563 1.00 73.25 C ATOM 1069 CD1 ILE A 69 -12.364 -12.300 -15.148 1.00 43.00 C ATOM 0 H ILE A 69 -9.021 -13.557 -15.943 1.00 64.21 H new ATOM 0 HA ILE A 69 -10.617 -11.253 -16.853 1.00 61.30 H new ATOM 0 HB ILE A 69 -9.117 -11.572 -14.224 1.00 52.23 H new ATOM 0 HG12 ILE A 69 -10.752 -13.277 -14.148 1.00 52.34 H new ATOM 0 HG13 ILE A 69 -11.437 -11.929 -13.262 1.00 52.34 H new ATOM 0 HG21 ILE A 69 -10.565 -9.714 -13.502 1.00 73.25 H new ATOM 0 HG22 ILE A 69 -9.565 -9.262 -14.903 1.00 73.25 H new ATOM 0 HG23 ILE A 69 -11.287 -9.650 -15.128 1.00 73.25 H new ATOM 0 HD11 ILE A 69 -13.112 -12.965 -14.715 1.00 43.00 H new ATOM 0 HD12 ILE A 69 -12.779 -11.296 -15.237 1.00 43.00 H new ATOM 0 HD13 ILE A 69 -12.083 -12.665 -16.136 1.00 43.00 H new ATOM 1081 N GLN A 70 -8.511 -10.378 -17.925 1.00 21.15 N ATOM 1082 CA GLN A 70 -7.360 -9.656 -18.453 1.00 42.13 C ATOM 1083 C GLN A 70 -7.352 -8.211 -17.964 1.00 70.33 C ATOM 1084 O GLN A 70 -8.123 -7.379 -18.442 1.00 72.13 O ATOM 1085 CB GLN A 70 -7.369 -9.689 -19.983 1.00 23.15 C ATOM 1086 CG GLN A 70 -6.025 -9.349 -20.606 1.00 40.53 C ATOM 1087 CD GLN A 70 -5.827 -10.003 -21.960 1.00 12.44 C ATOM 1088 OE1 GLN A 70 -6.374 -11.072 -22.231 1.00 51.10 O ATOM 1089 NE2 GLN A 70 -5.042 -9.362 -22.818 1.00 31.11 N ATOM 0 H GLN A 70 -9.301 -10.442 -18.567 1.00 21.15 H new ATOM 0 HA GLN A 70 -6.457 -10.148 -18.091 1.00 42.13 H new ATOM 0 HB2 GLN A 70 -7.673 -10.682 -20.315 1.00 23.15 H new ATOM 0 HB3 GLN A 70 -8.118 -8.987 -20.349 1.00 23.15 H new ATOM 0 HG2 GLN A 70 -5.942 -8.268 -20.714 1.00 40.53 H new ATOM 0 HG3 GLN A 70 -5.227 -9.665 -19.934 1.00 40.53 H new ATOM 0 HE21 GLN A 70 -4.609 -8.478 -22.551 1.00 31.11 H new ATOM 0 HE22 GLN A 70 -4.872 -9.754 -23.744 1.00 31.11 H new ATOM 1098 N PHE A 71 -6.476 -7.920 -17.009 1.00 22.04 N ATOM 1099 CA PHE A 71 -6.369 -6.576 -16.454 1.00 5.24 C ATOM 1100 C PHE A 71 -5.018 -5.953 -16.795 1.00 11.32 C ATOM 1101 O PHE A 71 -3.969 -6.555 -16.569 1.00 23.42 O ATOM 1102 CB PHE A 71 -6.558 -6.611 -14.936 1.00 23.23 C ATOM 1103 CG PHE A 71 -5.392 -7.209 -14.200 1.00 75.12 C ATOM 1104 CD1 PHE A 71 -5.142 -8.571 -14.262 1.00 12.52 C ATOM 1105 CD2 PHE A 71 -4.547 -6.410 -13.448 1.00 12.23 C ATOM 1106 CE1 PHE A 71 -4.071 -9.123 -13.585 1.00 72.24 C ATOM 1107 CE2 PHE A 71 -3.474 -6.957 -12.769 1.00 53.24 C ATOM 1108 CZ PHE A 71 -3.236 -8.315 -12.839 1.00 65.23 C ATOM 0 H PHE A 71 -5.830 -8.597 -16.603 1.00 22.04 H new ATOM 0 HA PHE A 71 -7.155 -5.964 -16.897 1.00 5.24 H new ATOM 0 HB2 PHE A 71 -6.723 -5.596 -14.575 1.00 23.23 H new ATOM 0 HB3 PHE A 71 -7.456 -7.183 -14.703 1.00 23.23 H new ATOM 0 HD1 PHE A 71 -5.791 -9.207 -14.845 1.00 12.52 H new ATOM 0 HD2 PHE A 71 -4.728 -5.347 -13.391 1.00 12.23 H new ATOM 0 HE1 PHE A 71 -3.887 -10.186 -13.639 1.00 72.24 H new ATOM 0 HE2 PHE A 71 -2.823 -6.323 -12.185 1.00 53.24 H new ATOM 0 HZ PHE A 71 -2.398 -8.745 -12.311 1.00 65.23 H new ATOM 1118 N VAL A 72 -5.053 -4.741 -17.341 1.00 70.41 N ATOM 1119 CA VAL A 72 -3.833 -4.035 -17.714 1.00 30.24 C ATOM 1120 C VAL A 72 -3.695 -2.730 -16.938 1.00 21.12 C ATOM 1121 O VAL A 72 -4.683 -2.044 -16.675 1.00 13.41 O ATOM 1122 CB VAL A 72 -3.800 -3.729 -19.223 1.00 15.54 C ATOM 1123 CG1 VAL A 72 -2.658 -2.779 -19.550 1.00 60.33 C ATOM 1124 CG2 VAL A 72 -3.682 -5.016 -20.025 1.00 10.50 C ATOM 0 H VAL A 72 -5.913 -4.228 -17.535 1.00 70.41 H new ATOM 0 HA VAL A 72 -2.999 -4.692 -17.467 1.00 30.24 H new ATOM 0 HB VAL A 72 -4.735 -3.242 -19.498 1.00 15.54 H new ATOM 0 HG11 VAL A 72 -2.650 -2.574 -20.621 1.00 60.33 H new ATOM 0 HG12 VAL A 72 -2.793 -1.846 -19.003 1.00 60.33 H new ATOM 0 HG13 VAL A 72 -1.711 -3.235 -19.261 1.00 60.33 H new ATOM 0 HG21 VAL A 72 -3.660 -4.781 -21.089 1.00 10.50 H new ATOM 0 HG22 VAL A 72 -2.764 -5.534 -19.749 1.00 10.50 H new ATOM 0 HG23 VAL A 72 -4.538 -5.657 -19.813 1.00 10.50 H new ATOM 1134 N LEU A 73 -2.463 -2.392 -16.574 1.00 22.41 N ATOM 1135 CA LEU A 73 -2.194 -1.168 -15.828 1.00 1.12 C ATOM 1136 C LEU A 73 -1.128 -0.329 -16.525 1.00 5.24 C ATOM 1137 O LEU A 73 0.022 -0.750 -16.652 1.00 2.20 O ATOM 1138 CB LEU A 73 -1.746 -1.503 -14.404 1.00 42.21 C ATOM 1139 CG LEU A 73 -1.438 -2.974 -14.126 1.00 65.41 C ATOM 1140 CD1 LEU A 73 -2.677 -3.829 -14.340 1.00 31.12 C ATOM 1141 CD2 LEU A 73 -0.296 -3.456 -15.010 1.00 33.41 C ATOM 0 H LEU A 73 -1.634 -2.949 -16.783 1.00 22.41 H new ATOM 0 HA LEU A 73 -3.116 -0.588 -15.785 1.00 1.12 H new ATOM 0 HB2 LEU A 73 -0.855 -0.917 -14.177 1.00 42.21 H new ATOM 0 HB3 LEU A 73 -2.525 -1.179 -13.714 1.00 42.21 H new ATOM 0 HG LEU A 73 -1.131 -3.070 -13.085 1.00 65.41 H new ATOM 0 HD11 LEU A 73 -2.438 -4.873 -14.137 1.00 31.12 H new ATOM 0 HD12 LEU A 73 -3.467 -3.500 -13.665 1.00 31.12 H new ATOM 0 HD13 LEU A 73 -3.015 -3.728 -15.371 1.00 31.12 H new ATOM 0 HD21 LEU A 73 -0.090 -4.505 -14.799 1.00 33.41 H new ATOM 0 HD22 LEU A 73 -0.575 -3.345 -16.058 1.00 33.41 H new ATOM 0 HD23 LEU A 73 0.596 -2.863 -14.807 1.00 33.41 H new ATOM 1153 N TRP A 74 -1.516 0.860 -16.971 1.00 74.24 N ATOM 1154 CA TRP A 74 -0.593 1.759 -17.653 1.00 43.33 C ATOM 1155 C TRP A 74 0.197 2.592 -16.650 1.00 21.15 C ATOM 1156 O TRP A 74 -0.356 3.469 -15.985 1.00 72.00 O ATOM 1157 CB TRP A 74 -1.356 2.678 -18.609 1.00 4.42 C ATOM 1158 CG TRP A 74 -0.492 3.730 -19.237 1.00 52.04 C ATOM 1159 CD1 TRP A 74 0.333 3.577 -20.314 1.00 64.53 C ATOM 1160 CD2 TRP A 74 -0.368 5.096 -18.826 1.00 34.32 C ATOM 1161 NE1 TRP A 74 0.963 4.765 -20.597 1.00 22.40 N ATOM 1162 CE2 TRP A 74 0.549 5.712 -19.699 1.00 0.41 C ATOM 1163 CE3 TRP A 74 -0.945 5.858 -17.806 1.00 45.23 C ATOM 1164 CZ2 TRP A 74 0.902 7.054 -19.581 1.00 24.14 C ATOM 1165 CZ3 TRP A 74 -0.593 7.189 -17.690 1.00 4.41 C ATOM 1166 CH2 TRP A 74 0.323 7.777 -18.573 1.00 61.42 C ATOM 0 H TRP A 74 -2.464 1.224 -16.873 1.00 74.24 H new ATOM 0 HA TRP A 74 0.109 1.153 -18.226 1.00 43.33 H new ATOM 0 HB2 TRP A 74 -1.812 2.075 -19.395 1.00 4.42 H new ATOM 0 HB3 TRP A 74 -2.168 3.161 -18.066 1.00 4.42 H new ATOM 0 HD1 TRP A 74 0.470 2.657 -20.863 1.00 64.53 H new ATOM 0 HE1 TRP A 74 1.631 4.917 -21.353 1.00 22.40 H new ATOM 0 HE3 TRP A 74 -1.653 5.415 -17.121 1.00 45.23 H new ATOM 0 HZ2 TRP A 74 1.608 7.508 -20.261 1.00 24.14 H new ATOM 0 HZ3 TRP A 74 -1.032 7.787 -16.905 1.00 4.41 H new ATOM 0 HH2 TRP A 74 0.577 8.820 -18.456 1.00 61.42 H new ATOM 1177 N CYS A 75 1.491 2.313 -16.544 1.00 65.44 N ATOM 1178 CA CYS A 75 2.357 3.036 -15.620 1.00 43.43 C ATOM 1179 C CYS A 75 2.349 4.531 -15.925 1.00 65.22 C ATOM 1180 O CYS A 75 2.632 4.963 -17.043 1.00 74.21 O ATOM 1181 CB CYS A 75 3.786 2.495 -15.697 1.00 53.40 C ATOM 1182 SG CYS A 75 4.321 1.613 -14.213 1.00 24.42 S ATOM 0 H CYS A 75 1.964 1.591 -17.087 1.00 65.44 H new ATOM 0 HA CYS A 75 1.974 2.887 -14.610 1.00 43.43 H new ATOM 0 HB2 CYS A 75 3.864 1.825 -16.553 1.00 53.40 H new ATOM 0 HB3 CYS A 75 4.468 3.325 -15.879 1.00 53.40 H new ATOM 0 HG CYS A 75 5.540 1.192 -14.374 1.00 24.42 H new ATOM 1188 N PRO A 76 2.017 5.341 -14.909 1.00 22.41 N ATOM 1189 CA PRO A 76 1.963 6.799 -15.044 1.00 42.31 C ATOM 1190 C PRO A 76 3.347 7.417 -15.213 1.00 51.41 C ATOM 1191 O PRO A 76 4.294 7.042 -14.521 1.00 55.11 O ATOM 1192 CB PRO A 76 1.331 7.255 -13.726 1.00 65.43 C ATOM 1193 CG PRO A 76 1.657 6.172 -12.756 1.00 44.11 C ATOM 1194 CD PRO A 76 1.669 4.895 -13.549 1.00 61.34 C ATOM 0 HA PRO A 76 1.405 7.106 -15.928 1.00 42.31 H new ATOM 0 HB2 PRO A 76 1.738 8.213 -13.402 1.00 65.43 H new ATOM 0 HB3 PRO A 76 0.254 7.385 -13.827 1.00 65.43 H new ATOM 0 HG2 PRO A 76 2.624 6.348 -12.285 1.00 44.11 H new ATOM 0 HG3 PRO A 76 0.917 6.128 -11.957 1.00 44.11 H new ATOM 0 HD2 PRO A 76 2.400 4.187 -13.159 1.00 61.34 H new ATOM 0 HD3 PRO A 76 0.699 4.398 -13.525 1.00 61.34 H new ATOM 1202 N ASP A 77 3.457 8.366 -16.136 1.00 41.32 N ATOM 1203 CA ASP A 77 4.725 9.038 -16.395 1.00 25.12 C ATOM 1204 C ASP A 77 4.887 10.260 -15.496 1.00 33.32 C ATOM 1205 O ASP A 77 5.880 10.980 -15.583 1.00 23.31 O ATOM 1206 CB ASP A 77 4.816 9.454 -17.864 1.00 3.44 C ATOM 1207 CG ASP A 77 6.194 9.215 -18.449 1.00 71.23 C ATOM 1208 OD1 ASP A 77 6.812 8.184 -18.110 1.00 61.21 O ATOM 1209 OD2 ASP A 77 6.654 10.058 -19.248 1.00 34.34 O ATOM 0 H ASP A 77 2.683 8.687 -16.718 1.00 41.32 H new ATOM 0 HA ASP A 77 5.530 8.338 -16.173 1.00 25.12 H new ATOM 0 HB2 ASP A 77 4.078 8.899 -18.442 1.00 3.44 H new ATOM 0 HB3 ASP A 77 4.564 10.510 -17.956 1.00 3.44 H new ATOM 1214 N ASN A 78 3.902 10.487 -14.633 1.00 55.41 N ATOM 1215 CA ASN A 78 3.933 11.623 -13.719 1.00 44.40 C ATOM 1216 C ASN A 78 4.628 11.251 -12.413 1.00 4.21 C ATOM 1217 O ASN A 78 5.243 12.096 -11.762 1.00 53.12 O ATOM 1218 CB ASN A 78 2.513 12.114 -13.432 1.00 73.31 C ATOM 1219 CG ASN A 78 2.462 13.601 -13.140 1.00 63.03 C ATOM 1220 OD1 ASN A 78 2.399 14.423 -14.055 1.00 31.50 O ATOM 1221 ND2 ASN A 78 2.491 13.954 -11.860 1.00 74.14 N ATOM 0 H ASN A 78 3.073 9.899 -14.547 1.00 55.41 H new ATOM 0 HA ASN A 78 4.497 12.425 -14.195 1.00 44.40 H new ATOM 0 HB2 ASN A 78 1.875 11.893 -14.288 1.00 73.31 H new ATOM 0 HB3 ASN A 78 2.107 11.566 -12.582 1.00 73.31 H new ATOM 0 HD21 ASN A 78 2.461 14.940 -11.602 1.00 74.14 H new ATOM 0 HD22 ASN A 78 2.543 13.239 -11.135 1.00 74.14 H new ATOM 1228 N ALA A 79 4.527 9.981 -12.036 1.00 61.21 N ATOM 1229 CA ALA A 79 5.148 9.496 -10.810 1.00 32.13 C ATOM 1230 C ALA A 79 4.878 8.009 -10.609 1.00 31.43 C ATOM 1231 O ALA A 79 4.120 7.604 -9.727 1.00 54.20 O ATOM 1232 CB ALA A 79 4.646 10.292 -9.614 1.00 21.42 C ATOM 0 H ALA A 79 4.021 9.269 -12.562 1.00 61.21 H new ATOM 0 HA ALA A 79 6.226 9.634 -10.898 1.00 32.13 H new ATOM 0 HB1 ALA A 79 5.118 9.919 -8.705 1.00 21.42 H new ATOM 0 HB2 ALA A 79 4.895 11.345 -9.747 1.00 21.42 H new ATOM 0 HB3 ALA A 79 3.565 10.183 -9.532 1.00 21.42 H new ATOM 1238 N PRO A 80 5.512 7.173 -11.445 1.00 55.11 N ATOM 1239 CA PRO A 80 5.355 5.717 -11.379 1.00 11.03 C ATOM 1240 C PRO A 80 6.004 5.120 -10.135 1.00 12.35 C ATOM 1241 O PRO A 80 5.596 4.062 -9.656 1.00 14.10 O ATOM 1242 CB PRO A 80 6.067 5.226 -12.641 1.00 64.23 C ATOM 1243 CG PRO A 80 7.060 6.291 -12.955 1.00 41.30 C ATOM 1244 CD PRO A 80 6.430 7.585 -12.520 1.00 0.44 C ATOM 0 HA PRO A 80 4.307 5.422 -11.322 1.00 11.03 H new ATOM 0 HB2 PRO A 80 6.556 4.267 -12.472 1.00 64.23 H new ATOM 0 HB3 PRO A 80 5.364 5.085 -13.462 1.00 64.23 H new ATOM 0 HG2 PRO A 80 7.998 6.117 -12.428 1.00 41.30 H new ATOM 0 HG3 PRO A 80 7.291 6.308 -14.020 1.00 41.30 H new ATOM 0 HD2 PRO A 80 7.176 8.295 -12.162 1.00 0.44 H new ATOM 0 HD3 PRO A 80 5.898 8.068 -13.339 1.00 0.44 H new ATOM 1252 N VAL A 81 7.017 5.806 -9.614 1.00 71.03 N ATOM 1253 CA VAL A 81 7.721 5.344 -8.424 1.00 44.23 C ATOM 1254 C VAL A 81 6.745 5.008 -7.303 1.00 53.11 C ATOM 1255 O VAL A 81 7.051 4.213 -6.415 1.00 25.14 O ATOM 1256 CB VAL A 81 8.722 6.401 -7.919 1.00 71.31 C ATOM 1257 CG1 VAL A 81 8.018 7.725 -7.667 1.00 1.32 C ATOM 1258 CG2 VAL A 81 9.422 5.912 -6.660 1.00 64.44 C ATOM 0 H VAL A 81 7.368 6.683 -9.998 1.00 71.03 H new ATOM 0 HA VAL A 81 8.266 4.444 -8.708 1.00 44.23 H new ATOM 0 HB VAL A 81 9.477 6.559 -8.689 1.00 71.31 H new ATOM 0 HG11 VAL A 81 8.741 8.459 -7.311 1.00 1.32 H new ATOM 0 HG12 VAL A 81 7.567 8.080 -8.594 1.00 1.32 H new ATOM 0 HG13 VAL A 81 7.241 7.587 -6.915 1.00 1.32 H new ATOM 0 HG21 VAL A 81 10.125 6.671 -6.317 1.00 64.44 H new ATOM 0 HG22 VAL A 81 8.682 5.725 -5.882 1.00 64.44 H new ATOM 0 HG23 VAL A 81 9.961 4.990 -6.878 1.00 64.44 H new ATOM 1268 N LYS A 82 5.565 5.619 -7.350 1.00 65.44 N ATOM 1269 CA LYS A 82 4.541 5.384 -6.340 1.00 73.21 C ATOM 1270 C LYS A 82 3.796 4.081 -6.613 1.00 21.21 C ATOM 1271 O LYS A 82 3.866 3.124 -5.841 1.00 2.42 O ATOM 1272 CB LYS A 82 3.552 6.551 -6.306 1.00 52.23 C ATOM 1273 CG LYS A 82 3.724 7.460 -5.101 1.00 61.43 C ATOM 1274 CD LYS A 82 2.633 7.229 -4.069 1.00 3.32 C ATOM 1275 CE LYS A 82 2.254 8.521 -3.361 1.00 23.03 C ATOM 1276 NZ LYS A 82 2.855 8.605 -2.001 1.00 31.34 N ATOM 0 H LYS A 82 5.295 6.281 -8.078 1.00 65.44 H new ATOM 0 HA LYS A 82 5.034 5.304 -5.371 1.00 73.21 H new ATOM 0 HB2 LYS A 82 3.668 7.141 -7.215 1.00 52.23 H new ATOM 0 HB3 LYS A 82 2.536 6.156 -6.310 1.00 52.23 H new ATOM 0 HG2 LYS A 82 4.699 7.283 -4.647 1.00 61.43 H new ATOM 0 HG3 LYS A 82 3.707 8.501 -5.424 1.00 61.43 H new ATOM 0 HD2 LYS A 82 1.753 6.808 -4.556 1.00 3.32 H new ATOM 0 HD3 LYS A 82 2.973 6.497 -3.336 1.00 3.32 H new ATOM 0 HE2 LYS A 82 2.584 9.372 -3.957 1.00 23.03 H new ATOM 0 HE3 LYS A 82 1.169 8.588 -3.283 1.00 23.03 H new ATOM 0 HZ1 LYS A 82 2.777 9.580 -1.647 1.00 31.34 H new ATOM 0 HZ2 LYS A 82 2.351 7.962 -1.358 1.00 31.34 H new ATOM 0 HZ3 LYS A 82 3.858 8.332 -2.047 1.00 31.34 H new ATOM 1290 N PRO A 83 3.067 4.039 -7.738 1.00 15.43 N ATOM 1291 CA PRO A 83 2.297 2.858 -8.139 1.00 12.10 C ATOM 1292 C PRO A 83 3.192 1.698 -8.561 1.00 5.41 C ATOM 1293 O PRO A 83 3.055 0.582 -8.061 1.00 22.04 O ATOM 1294 CB PRO A 83 1.474 3.358 -9.329 1.00 13.43 C ATOM 1295 CG PRO A 83 2.260 4.496 -9.882 1.00 2.44 C ATOM 1296 CD PRO A 83 2.937 5.142 -8.705 1.00 3.43 C ATOM 0 HA PRO A 83 1.694 2.468 -7.319 1.00 12.10 H new ATOM 0 HB2 PRO A 83 1.337 2.573 -10.073 1.00 13.43 H new ATOM 0 HB3 PRO A 83 0.480 3.678 -9.016 1.00 13.43 H new ATOM 0 HG2 PRO A 83 2.992 4.147 -10.610 1.00 2.44 H new ATOM 0 HG3 PRO A 83 1.611 5.205 -10.397 1.00 2.44 H new ATOM 0 HD2 PRO A 83 3.909 5.554 -8.977 1.00 3.43 H new ATOM 0 HD3 PRO A 83 2.344 5.963 -8.301 1.00 3.43 H new ATOM 1304 N ARG A 84 4.110 1.970 -9.484 1.00 15.45 N ATOM 1305 CA ARG A 84 5.027 0.949 -9.973 1.00 23.31 C ATOM 1306 C ARG A 84 5.670 0.194 -8.813 1.00 14.14 C ATOM 1307 O ARG A 84 6.039 -0.972 -8.947 1.00 4.03 O ATOM 1308 CB ARG A 84 6.112 1.583 -10.845 1.00 50.15 C ATOM 1309 CG ARG A 84 6.962 0.569 -11.594 1.00 0.24 C ATOM 1310 CD ARG A 84 8.251 0.264 -10.847 1.00 44.44 C ATOM 1311 NE ARG A 84 9.039 -0.768 -11.515 1.00 22.30 N ATOM 1312 CZ ARG A 84 10.336 -0.957 -11.300 1.00 23.44 C ATOM 1313 NH1 ARG A 84 10.988 -0.188 -10.439 1.00 12.22 N ATOM 1314 NH2 ARG A 84 10.984 -1.918 -11.946 1.00 22.44 N ATOM 0 H ARG A 84 4.238 2.889 -9.907 1.00 15.45 H new ATOM 0 HA ARG A 84 4.455 0.241 -10.573 1.00 23.31 H new ATOM 0 HB2 ARG A 84 5.642 2.253 -11.565 1.00 50.15 H new ATOM 0 HB3 ARG A 84 6.760 2.194 -10.217 1.00 50.15 H new ATOM 0 HG2 ARG A 84 6.394 -0.351 -11.734 1.00 0.24 H new ATOM 0 HG3 ARG A 84 7.197 0.952 -12.587 1.00 0.24 H new ATOM 0 HD2 ARG A 84 8.844 1.174 -10.761 1.00 44.44 H new ATOM 0 HD3 ARG A 84 8.015 -0.060 -9.833 1.00 44.44 H new ATOM 0 HE ARG A 84 8.567 -1.377 -12.183 1.00 22.30 H new ATOM 0 HH11 ARG A 84 10.494 0.551 -9.940 1.00 12.22 H new ATOM 0 HH12 ARG A 84 11.984 -0.336 -10.276 1.00 12.22 H new ATOM 0 HH21 ARG A 84 10.486 -2.513 -12.609 1.00 22.44 H new ATOM 0 HH22 ARG A 84 11.980 -2.062 -11.780 1.00 22.44 H new ATOM 1328 N MET A 85 5.799 0.868 -7.675 1.00 2.14 N ATOM 1329 CA MET A 85 6.396 0.261 -6.491 1.00 23.32 C ATOM 1330 C MET A 85 5.337 -0.441 -5.647 1.00 60.41 C ATOM 1331 O MET A 85 5.484 -1.612 -5.295 1.00 23.23 O ATOM 1332 CB MET A 85 7.112 1.322 -5.653 1.00 33.14 C ATOM 1333 CG MET A 85 8.464 1.730 -6.214 1.00 51.13 C ATOM 1334 SD MET A 85 9.759 0.531 -5.847 1.00 62.44 S ATOM 1335 CE MET A 85 10.737 1.443 -4.656 1.00 24.51 C ATOM 0 H MET A 85 5.498 1.834 -7.548 1.00 2.14 H new ATOM 0 HA MET A 85 7.122 -0.481 -6.822 1.00 23.32 H new ATOM 0 HB2 MET A 85 6.477 2.205 -5.580 1.00 33.14 H new ATOM 0 HB3 MET A 85 7.248 0.942 -4.640 1.00 33.14 H new ATOM 0 HG2 MET A 85 8.383 1.852 -7.294 1.00 51.13 H new ATOM 0 HG3 MET A 85 8.745 2.700 -5.804 1.00 51.13 H new ATOM 0 HE1 MET A 85 11.579 0.832 -4.333 1.00 24.51 H new ATOM 0 HE2 MET A 85 11.109 2.359 -5.115 1.00 24.51 H new ATOM 0 HE3 MET A 85 10.119 1.694 -3.794 1.00 24.51 H new ATOM 1345 N THR A 86 4.268 0.281 -5.325 1.00 43.04 N ATOM 1346 CA THR A 86 3.185 -0.272 -4.522 1.00 25.10 C ATOM 1347 C THR A 86 2.521 -1.447 -5.230 1.00 32.34 C ATOM 1348 O THR A 86 2.546 -2.576 -4.738 1.00 2.34 O ATOM 1349 CB THR A 86 2.118 0.793 -4.208 1.00 4.35 C ATOM 1350 OG1 THR A 86 2.740 1.966 -3.671 1.00 4.12 O ATOM 1351 CG2 THR A 86 1.094 0.258 -3.218 1.00 5.21 C ATOM 0 H THR A 86 4.129 1.251 -5.609 1.00 43.04 H new ATOM 0 HA THR A 86 3.628 -0.617 -3.588 1.00 25.10 H new ATOM 0 HB THR A 86 1.605 1.046 -5.136 1.00 4.35 H new ATOM 0 HG1 THR A 86 2.155 2.366 -2.995 1.00 4.12 H new ATOM 0 HG21 THR A 86 0.351 1.028 -3.012 1.00 5.21 H new ATOM 0 HG22 THR A 86 0.602 -0.618 -3.641 1.00 5.21 H new ATOM 0 HG23 THR A 86 1.595 -0.020 -2.291 1.00 5.21 H new ATOM 1359 N TYR A 87 1.927 -1.176 -6.386 1.00 61.05 N ATOM 1360 CA TYR A 87 1.254 -2.212 -7.161 1.00 53.53 C ATOM 1361 C TYR A 87 2.183 -3.396 -7.411 1.00 54.43 C ATOM 1362 O TYR A 87 1.730 -4.523 -7.605 1.00 63.54 O ATOM 1363 CB TYR A 87 0.764 -1.643 -8.494 1.00 73.12 C ATOM 1364 CG TYR A 87 1.416 -2.280 -9.700 1.00 41.14 C ATOM 1365 CD1 TYR A 87 2.702 -1.923 -10.089 1.00 33.14 C ATOM 1366 CD2 TYR A 87 0.747 -3.237 -10.452 1.00 71.45 C ATOM 1367 CE1 TYR A 87 3.302 -2.502 -11.190 1.00 54.44 C ATOM 1368 CE2 TYR A 87 1.339 -3.822 -11.555 1.00 25.33 C ATOM 1369 CZ TYR A 87 2.617 -3.451 -11.920 1.00 13.02 C ATOM 1370 OH TYR A 87 3.210 -4.030 -13.018 1.00 71.21 O ATOM 0 H TYR A 87 1.898 -0.248 -6.808 1.00 61.05 H new ATOM 0 HA TYR A 87 0.397 -2.562 -6.585 1.00 53.53 H new ATOM 0 HB2 TYR A 87 -0.316 -1.777 -8.562 1.00 73.12 H new ATOM 0 HB3 TYR A 87 0.954 -0.570 -8.513 1.00 73.12 H new ATOM 0 HD1 TYR A 87 3.241 -1.180 -9.520 1.00 33.14 H new ATOM 0 HD2 TYR A 87 -0.254 -3.529 -10.170 1.00 71.45 H new ATOM 0 HE1 TYR A 87 4.302 -2.213 -11.478 1.00 54.44 H new ATOM 0 HE2 TYR A 87 0.805 -4.565 -12.128 1.00 25.33 H new ATOM 0 HH TYR A 87 3.419 -4.967 -12.821 1.00 71.21 H new ATOM 1380 N ALA A 88 3.485 -3.130 -7.404 1.00 53.52 N ATOM 1381 CA ALA A 88 4.479 -4.172 -7.627 1.00 73.12 C ATOM 1382 C ALA A 88 4.411 -5.237 -6.538 1.00 71.31 C ATOM 1383 O ALA A 88 4.170 -6.411 -6.819 1.00 31.31 O ATOM 1384 CB ALA A 88 5.873 -3.567 -7.690 1.00 42.12 C ATOM 0 H ALA A 88 3.876 -2.201 -7.246 1.00 53.52 H new ATOM 0 HA ALA A 88 4.260 -4.651 -8.581 1.00 73.12 H new ATOM 0 HB1 ALA A 88 6.605 -4.357 -7.857 1.00 42.12 H new ATOM 0 HB2 ALA A 88 5.921 -2.849 -8.508 1.00 42.12 H new ATOM 0 HB3 ALA A 88 6.093 -3.061 -6.750 1.00 42.12 H new ATOM 1390 N SER A 89 4.626 -4.820 -5.294 1.00 54.05 N ATOM 1391 CA SER A 89 4.593 -5.740 -4.163 1.00 43.43 C ATOM 1392 C SER A 89 3.170 -5.909 -3.642 1.00 34.43 C ATOM 1393 O SER A 89 2.941 -6.583 -2.637 1.00 71.44 O ATOM 1394 CB SER A 89 5.503 -5.234 -3.042 1.00 34.04 C ATOM 1395 OG SER A 89 6.780 -5.845 -3.106 1.00 52.42 O ATOM 0 H SER A 89 4.825 -3.851 -5.044 1.00 54.05 H new ATOM 0 HA SER A 89 4.953 -6.711 -4.504 1.00 43.43 H new ATOM 0 HB2 SER A 89 5.610 -4.152 -3.117 1.00 34.04 H new ATOM 0 HB3 SER A 89 5.045 -5.443 -2.075 1.00 34.04 H new ATOM 0 HG SER A 89 7.343 -5.503 -2.380 1.00 52.42 H new ATOM 1401 N SER A 90 2.216 -5.293 -4.332 1.00 12.51 N ATOM 1402 CA SER A 90 0.814 -5.371 -3.937 1.00 62.23 C ATOM 1403 C SER A 90 0.022 -6.232 -4.916 1.00 73.15 C ATOM 1404 O SER A 90 -1.101 -6.648 -4.629 1.00 2.14 O ATOM 1405 CB SER A 90 0.204 -3.970 -3.863 1.00 31.31 C ATOM 1406 OG SER A 90 0.802 -3.208 -2.829 1.00 1.20 O ATOM 0 H SER A 90 2.388 -4.734 -5.168 1.00 12.51 H new ATOM 0 HA SER A 90 0.765 -5.833 -2.951 1.00 62.23 H new ATOM 0 HB2 SER A 90 0.337 -3.461 -4.818 1.00 31.31 H new ATOM 0 HB3 SER A 90 -0.869 -4.046 -3.689 1.00 31.31 H new ATOM 0 HG SER A 90 1.588 -2.740 -3.180 1.00 1.20 H new ATOM 1412 N LYS A 91 0.614 -6.496 -6.076 1.00 43.11 N ATOM 1413 CA LYS A 91 -0.033 -7.308 -7.099 1.00 53.14 C ATOM 1414 C LYS A 91 -0.426 -8.673 -6.543 1.00 42.12 C ATOM 1415 O LYS A 91 -1.294 -9.351 -7.092 1.00 71.24 O ATOM 1416 CB LYS A 91 0.895 -7.484 -8.303 1.00 42.32 C ATOM 1417 CG LYS A 91 1.572 -8.842 -8.356 1.00 22.41 C ATOM 1418 CD LYS A 91 2.581 -9.007 -7.232 1.00 3.53 C ATOM 1419 CE LYS A 91 3.962 -9.352 -7.768 1.00 71.51 C ATOM 1420 NZ LYS A 91 4.427 -8.365 -8.781 1.00 1.53 N ATOM 0 H LYS A 91 1.542 -6.159 -6.331 1.00 43.11 H new ATOM 0 HA LYS A 91 -0.938 -6.791 -7.418 1.00 53.14 H new ATOM 0 HB2 LYS A 91 0.321 -7.338 -9.218 1.00 42.32 H new ATOM 0 HB3 LYS A 91 1.659 -6.707 -8.279 1.00 42.32 H new ATOM 0 HG2 LYS A 91 0.819 -9.628 -8.289 1.00 22.41 H new ATOM 0 HG3 LYS A 91 2.073 -8.962 -9.316 1.00 22.41 H new ATOM 0 HD2 LYS A 91 2.635 -8.086 -6.652 1.00 3.53 H new ATOM 0 HD3 LYS A 91 2.246 -9.792 -6.554 1.00 3.53 H new ATOM 0 HE2 LYS A 91 4.673 -9.388 -6.943 1.00 71.51 H new ATOM 0 HE3 LYS A 91 3.940 -10.347 -8.213 1.00 71.51 H new ATOM 0 HZ1 LYS A 91 5.457 -8.445 -8.897 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 3.961 -8.555 -9.691 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 4.188 -7.404 -8.464 1.00 1.53 H new ATOM 1434 N ASP A 92 0.218 -9.069 -5.451 1.00 11.34 N ATOM 1435 CA ASP A 92 -0.066 -10.352 -4.818 1.00 51.25 C ATOM 1436 C ASP A 92 -1.476 -10.371 -4.237 1.00 53.12 C ATOM 1437 O ASP A 92 -2.094 -11.428 -4.116 1.00 70.41 O ATOM 1438 CB ASP A 92 0.956 -10.640 -3.718 1.00 45.21 C ATOM 1439 CG ASP A 92 1.704 -11.938 -3.948 1.00 63.31 C ATOM 1440 OD1 ASP A 92 2.561 -11.977 -4.856 1.00 60.22 O ATOM 1441 OD2 ASP A 92 1.433 -12.915 -3.220 1.00 25.55 O ATOM 0 H ASP A 92 0.941 -8.520 -4.985 1.00 11.34 H new ATOM 0 HA ASP A 92 0.004 -11.128 -5.580 1.00 51.25 H new ATOM 0 HB2 ASP A 92 1.669 -9.818 -3.665 1.00 45.21 H new ATOM 0 HB3 ASP A 92 0.447 -10.683 -2.755 1.00 45.21 H new ATOM 1446 N ALA A 93 -1.979 -9.194 -3.878 1.00 61.22 N ATOM 1447 CA ALA A 93 -3.316 -9.076 -3.310 1.00 52.25 C ATOM 1448 C ALA A 93 -4.347 -8.769 -4.392 1.00 64.51 C ATOM 1449 O ALA A 93 -5.352 -9.469 -4.522 1.00 60.23 O ATOM 1450 CB ALA A 93 -3.340 -7.999 -2.236 1.00 40.20 C ATOM 0 H ALA A 93 -1.480 -8.309 -3.971 1.00 61.22 H new ATOM 0 HA ALA A 93 -3.577 -10.032 -2.856 1.00 52.25 H new ATOM 0 HB1 ALA A 93 -4.345 -7.922 -1.821 1.00 40.20 H new ATOM 0 HB2 ALA A 93 -2.639 -8.260 -1.443 1.00 40.20 H new ATOM 0 HB3 ALA A 93 -3.054 -7.043 -2.673 1.00 40.20 H new ATOM 1456 N LEU A 94 -4.091 -7.720 -5.165 1.00 73.05 N ATOM 1457 CA LEU A 94 -4.998 -7.320 -6.236 1.00 63.34 C ATOM 1458 C LEU A 94 -5.415 -8.525 -7.074 1.00 53.43 C ATOM 1459 O LEU A 94 -6.604 -8.812 -7.219 1.00 14.23 O ATOM 1460 CB LEU A 94 -4.333 -6.270 -7.128 1.00 72.02 C ATOM 1461 CG LEU A 94 -4.235 -4.860 -6.545 1.00 43.12 C ATOM 1462 CD1 LEU A 94 -5.545 -4.463 -5.883 1.00 30.30 C ATOM 1463 CD2 LEU A 94 -3.085 -4.772 -5.552 1.00 31.50 C ATOM 0 H LEU A 94 -3.264 -7.131 -5.071 1.00 73.05 H new ATOM 0 HA LEU A 94 -5.891 -6.890 -5.782 1.00 63.34 H new ATOM 0 HB2 LEU A 94 -3.327 -6.612 -7.370 1.00 72.02 H new ATOM 0 HB3 LEU A 94 -4.886 -6.216 -8.066 1.00 72.02 H new ATOM 0 HG LEU A 94 -4.039 -4.164 -7.360 1.00 43.12 H new ATOM 0 HD11 LEU A 94 -5.456 -3.457 -5.474 1.00 30.30 H new ATOM 0 HD12 LEU A 94 -6.347 -4.485 -6.621 1.00 30.30 H new ATOM 0 HD13 LEU A 94 -5.773 -5.163 -5.079 1.00 30.30 H new ATOM 0 HD21 LEU A 94 -3.030 -3.761 -5.147 1.00 31.50 H new ATOM 0 HD22 LEU A 94 -3.251 -5.480 -4.740 1.00 31.50 H new ATOM 0 HD23 LEU A 94 -2.149 -5.012 -6.057 1.00 31.50 H new ATOM 1475 N LEU A 95 -4.430 -9.227 -7.623 1.00 33.12 N ATOM 1476 CA LEU A 95 -4.695 -10.403 -8.445 1.00 1.12 C ATOM 1477 C LEU A 95 -5.428 -11.474 -7.643 1.00 43.04 C ATOM 1478 O LEU A 95 -6.237 -12.227 -8.186 1.00 45.14 O ATOM 1479 CB LEU A 95 -3.385 -10.969 -8.996 1.00 72.23 C ATOM 1480 CG LEU A 95 -2.968 -10.471 -10.380 1.00 54.44 C ATOM 1481 CD1 LEU A 95 -1.455 -10.358 -10.474 1.00 23.13 C ATOM 1482 CD2 LEU A 95 -3.504 -11.395 -11.464 1.00 31.11 C ATOM 0 H LEU A 95 -3.441 -9.003 -7.514 1.00 33.12 H new ATOM 0 HA LEU A 95 -5.331 -10.100 -9.277 1.00 1.12 H new ATOM 0 HB2 LEU A 95 -2.587 -10.735 -8.292 1.00 72.23 H new ATOM 0 HB3 LEU A 95 -3.469 -12.055 -9.033 1.00 72.23 H new ATOM 0 HG LEU A 95 -3.396 -9.480 -10.531 1.00 54.44 H new ATOM 0 HD11 LEU A 95 -1.178 -10.002 -11.466 1.00 23.13 H new ATOM 0 HD12 LEU A 95 -1.095 -9.655 -9.723 1.00 23.13 H new ATOM 0 HD13 LEU A 95 -1.006 -11.336 -10.301 1.00 23.13 H new ATOM 0 HD21 LEU A 95 -3.197 -11.025 -12.442 1.00 31.11 H new ATOM 0 HD22 LEU A 95 -3.107 -12.399 -11.315 1.00 31.11 H new ATOM 0 HD23 LEU A 95 -4.592 -11.424 -11.412 1.00 31.11 H new ATOM 1494 N LYS A 96 -5.141 -11.536 -6.347 1.00 51.54 N ATOM 1495 CA LYS A 96 -5.775 -12.511 -5.469 1.00 23.43 C ATOM 1496 C LYS A 96 -7.184 -12.068 -5.089 1.00 42.31 C ATOM 1497 O LYS A 96 -7.953 -12.835 -4.510 1.00 22.12 O ATOM 1498 CB LYS A 96 -4.934 -12.712 -4.206 1.00 32.44 C ATOM 1499 CG LYS A 96 -3.950 -13.865 -4.307 1.00 2.40 C ATOM 1500 CD LYS A 96 -3.063 -13.734 -5.534 1.00 71.20 C ATOM 1501 CE LYS A 96 -3.611 -14.535 -6.705 1.00 52.24 C ATOM 1502 NZ LYS A 96 -2.549 -15.336 -7.375 1.00 34.34 N ATOM 0 H LYS A 96 -4.473 -10.922 -5.882 1.00 51.54 H new ATOM 0 HA LYS A 96 -5.844 -13.456 -6.007 1.00 23.43 H new ATOM 0 HB2 LYS A 96 -4.385 -11.794 -3.995 1.00 32.44 H new ATOM 0 HB3 LYS A 96 -5.599 -12.886 -3.361 1.00 32.44 H new ATOM 0 HG2 LYS A 96 -3.331 -13.896 -3.411 1.00 2.40 H new ATOM 0 HG3 LYS A 96 -4.496 -14.808 -4.350 1.00 2.40 H new ATOM 0 HD2 LYS A 96 -2.982 -12.684 -5.816 1.00 71.20 H new ATOM 0 HD3 LYS A 96 -2.057 -14.078 -5.295 1.00 71.20 H new ATOM 0 HE2 LYS A 96 -4.400 -15.200 -6.353 1.00 52.24 H new ATOM 0 HE3 LYS A 96 -4.065 -13.857 -7.428 1.00 52.24 H new ATOM 0 HZ1 LYS A 96 -2.963 -15.867 -8.167 1.00 34.34 H new ATOM 0 HZ2 LYS A 96 -1.809 -14.700 -7.734 1.00 34.34 H new ATOM 0 HZ3 LYS A 96 -2.133 -16.001 -6.692 1.00 34.34 H new ATOM 1516 N LYS A 97 -7.517 -10.825 -5.420 1.00 52.14 N ATOM 1517 CA LYS A 97 -8.835 -10.279 -5.117 1.00 42.12 C ATOM 1518 C LYS A 97 -9.763 -10.397 -6.322 1.00 1.31 C ATOM 1519 O LYS A 97 -10.780 -9.707 -6.404 1.00 72.25 O ATOM 1520 CB LYS A 97 -8.717 -8.814 -4.692 1.00 41.52 C ATOM 1521 CG LYS A 97 -8.150 -8.629 -3.295 1.00 74.10 C ATOM 1522 CD LYS A 97 -8.984 -9.358 -2.255 1.00 13.24 C ATOM 1523 CE LYS A 97 -8.201 -10.488 -1.605 1.00 32.23 C ATOM 1524 NZ LYS A 97 -8.623 -10.716 -0.195 1.00 33.31 N ATOM 0 H LYS A 97 -6.892 -10.176 -5.898 1.00 52.14 H new ATOM 0 HA LYS A 97 -9.260 -10.856 -4.296 1.00 42.12 H new ATOM 0 HB2 LYS A 97 -8.082 -8.288 -5.405 1.00 41.52 H new ATOM 0 HB3 LYS A 97 -9.702 -8.350 -4.739 1.00 41.52 H new ATOM 0 HG2 LYS A 97 -7.125 -8.999 -3.265 1.00 74.10 H new ATOM 0 HG3 LYS A 97 -8.113 -7.567 -3.054 1.00 74.10 H new ATOM 0 HD2 LYS A 97 -9.311 -8.653 -1.490 1.00 13.24 H new ATOM 0 HD3 LYS A 97 -9.883 -9.759 -2.724 1.00 13.24 H new ATOM 0 HE2 LYS A 97 -8.342 -11.404 -2.179 1.00 32.23 H new ATOM 0 HE3 LYS A 97 -7.137 -10.255 -1.632 1.00 32.23 H new ATOM 0 HZ1 LYS A 97 -7.805 -11.027 0.366 1.00 33.31 H new ATOM 0 HZ2 LYS A 97 -9.000 -9.832 0.202 1.00 33.31 H new ATOM 0 HZ3 LYS A 97 -9.360 -11.449 -0.167 1.00 33.31 H new ATOM 1538 N LEU A 98 -9.407 -11.275 -7.253 1.00 52.32 N ATOM 1539 CA LEU A 98 -10.210 -11.484 -8.453 1.00 65.25 C ATOM 1540 C LEU A 98 -10.470 -12.970 -8.682 1.00 43.42 C ATOM 1541 O LEU A 98 -10.025 -13.815 -7.905 1.00 44.25 O ATOM 1542 CB LEU A 98 -9.506 -10.884 -9.672 1.00 61.42 C ATOM 1543 CG LEU A 98 -8.715 -9.599 -9.425 1.00 64.54 C ATOM 1544 CD1 LEU A 98 -7.888 -9.238 -10.650 1.00 22.33 C ATOM 1545 CD2 LEU A 98 -9.652 -8.458 -9.057 1.00 23.50 C ATOM 0 H LEU A 98 -8.568 -11.853 -7.200 1.00 52.32 H new ATOM 0 HA LEU A 98 -11.168 -10.984 -8.311 1.00 65.25 H new ATOM 0 HB2 LEU A 98 -8.826 -11.633 -10.079 1.00 61.42 H new ATOM 0 HB3 LEU A 98 -10.256 -10.684 -10.438 1.00 61.42 H new ATOM 0 HG LEU A 98 -8.036 -9.768 -8.590 1.00 64.54 H new ATOM 0 HD11 LEU A 98 -7.332 -8.321 -10.456 1.00 22.33 H new ATOM 0 HD12 LEU A 98 -7.190 -10.046 -10.869 1.00 22.33 H new ATOM 0 HD13 LEU A 98 -8.549 -9.088 -11.504 1.00 22.33 H new ATOM 0 HD21 LEU A 98 -9.072 -7.552 -8.885 1.00 23.50 H new ATOM 0 HD22 LEU A 98 -10.356 -8.289 -9.871 1.00 23.50 H new ATOM 0 HD23 LEU A 98 -10.200 -8.715 -8.151 1.00 23.50 H new ATOM 1557 N ASP A 99 -11.191 -13.280 -9.754 1.00 30.45 N ATOM 1558 CA ASP A 99 -11.508 -14.664 -10.087 1.00 22.31 C ATOM 1559 C ASP A 99 -11.211 -14.951 -11.556 1.00 31.04 C ATOM 1560 O ASP A 99 -11.970 -14.558 -12.441 1.00 23.22 O ATOM 1561 CB ASP A 99 -12.977 -14.961 -9.783 1.00 52.02 C ATOM 1562 CG ASP A 99 -13.427 -16.295 -10.346 1.00 23.01 C ATOM 1563 OD1 ASP A 99 -12.902 -17.336 -9.897 1.00 42.22 O ATOM 1564 OD2 ASP A 99 -14.304 -16.298 -11.234 1.00 71.43 O ATOM 0 H ASP A 99 -11.567 -12.592 -10.407 1.00 30.45 H new ATOM 0 HA ASP A 99 -10.881 -15.312 -9.475 1.00 22.31 H new ATOM 0 HB2 ASP A 99 -13.130 -14.955 -8.704 1.00 52.02 H new ATOM 0 HB3 ASP A 99 -13.598 -14.167 -10.197 1.00 52.02 H new ATOM 1569 N GLY A 100 -10.101 -15.638 -11.807 1.00 23.12 N ATOM 1570 CA GLY A 100 -9.723 -15.965 -13.169 1.00 44.53 C ATOM 1571 C GLY A 100 -8.681 -15.014 -13.725 1.00 65.43 C ATOM 1572 O GLY A 100 -8.338 -15.080 -14.905 1.00 41.14 O ATOM 0 H GLY A 100 -9.457 -15.974 -11.091 1.00 23.12 H new ATOM 0 HA2 GLY A 100 -9.335 -16.983 -13.201 1.00 44.53 H new ATOM 0 HA3 GLY A 100 -10.608 -15.941 -13.804 1.00 44.53 H new ATOM 1576 N ALA A 101 -8.176 -14.127 -12.874 1.00 34.54 N ATOM 1577 CA ALA A 101 -7.167 -13.160 -13.286 1.00 73.04 C ATOM 1578 C ALA A 101 -5.817 -13.834 -13.504 1.00 21.31 C ATOM 1579 O ALA A 101 -4.910 -13.713 -12.679 1.00 73.51 O ATOM 1580 CB ALA A 101 -7.045 -12.051 -12.252 1.00 51.10 C ATOM 0 H ALA A 101 -8.450 -14.058 -11.894 1.00 34.54 H new ATOM 0 HA ALA A 101 -7.483 -12.724 -14.234 1.00 73.04 H new ATOM 0 HB1 ALA A 101 -6.288 -11.336 -12.573 1.00 51.10 H new ATOM 0 HB2 ALA A 101 -8.004 -11.543 -12.149 1.00 51.10 H new ATOM 0 HB3 ALA A 101 -6.756 -12.479 -11.292 1.00 51.10 H new ATOM 1586 N THR A 102 -5.689 -14.546 -14.619 1.00 43.05 N ATOM 1587 CA THR A 102 -4.450 -15.241 -14.944 1.00 63.14 C ATOM 1588 C THR A 102 -3.289 -14.262 -15.078 1.00 23.33 C ATOM 1589 O THR A 102 -3.406 -13.093 -14.713 1.00 43.23 O ATOM 1590 CB THR A 102 -4.582 -16.044 -16.252 1.00 52.24 C ATOM 1591 OG1 THR A 102 -4.553 -15.157 -17.376 1.00 63.14 O ATOM 1592 CG2 THR A 102 -5.875 -16.846 -16.267 1.00 2.25 C ATOM 0 H THR A 102 -6.429 -14.656 -15.312 1.00 43.05 H new ATOM 0 HA THR A 102 -4.249 -15.929 -14.123 1.00 63.14 H new ATOM 0 HB THR A 102 -3.742 -16.736 -16.313 1.00 52.24 H new ATOM 0 HG1 THR A 102 -4.636 -15.675 -18.204 1.00 63.14 H new ATOM 0 HG21 THR A 102 -5.946 -17.405 -17.200 1.00 2.25 H new ATOM 0 HG22 THR A 102 -5.882 -17.541 -15.427 1.00 2.25 H new ATOM 0 HG23 THR A 102 -6.725 -16.168 -16.185 1.00 2.25 H new ATOM 1600 N ALA A 103 -2.169 -14.748 -15.603 1.00 24.13 N ATOM 1601 CA ALA A 103 -0.987 -13.915 -15.786 1.00 40.45 C ATOM 1602 C ALA A 103 -1.015 -13.213 -17.140 1.00 13.20 C ATOM 1603 O ALA A 103 0.003 -12.703 -17.608 1.00 31.02 O ATOM 1604 CB ALA A 103 0.276 -14.752 -15.650 1.00 60.15 C ATOM 0 H ALA A 103 -2.056 -15.714 -15.909 1.00 24.13 H new ATOM 0 HA ALA A 103 -0.988 -13.151 -15.009 1.00 40.45 H new ATOM 0 HB1 ALA A 103 1.150 -14.116 -15.789 1.00 60.15 H new ATOM 0 HB2 ALA A 103 0.309 -15.202 -14.658 1.00 60.15 H new ATOM 0 HB3 ALA A 103 0.275 -15.538 -16.405 1.00 60.15 H new ATOM 1610 N VAL A 104 -2.188 -13.191 -17.765 1.00 51.45 N ATOM 1611 CA VAL A 104 -2.349 -12.551 -19.066 1.00 10.33 C ATOM 1612 C VAL A 104 -2.322 -11.032 -18.938 1.00 12.22 C ATOM 1613 O VAL A 104 -2.424 -10.313 -19.932 1.00 20.24 O ATOM 1614 CB VAL A 104 -3.667 -12.975 -19.741 1.00 0.14 C ATOM 1615 CG1 VAL A 104 -4.859 -12.379 -19.007 1.00 43.31 C ATOM 1616 CG2 VAL A 104 -3.672 -12.563 -21.205 1.00 65.51 C ATOM 0 H VAL A 104 -3.041 -13.609 -17.392 1.00 51.45 H new ATOM 0 HA VAL A 104 -1.512 -12.876 -19.684 1.00 10.33 H new ATOM 0 HB VAL A 104 -3.747 -14.061 -19.692 1.00 0.14 H new ATOM 0 HG11 VAL A 104 -5.781 -12.689 -19.498 1.00 43.31 H new ATOM 0 HG12 VAL A 104 -4.862 -12.729 -17.975 1.00 43.31 H new ATOM 0 HG13 VAL A 104 -4.789 -11.291 -19.022 1.00 43.31 H new ATOM 0 HG21 VAL A 104 -4.611 -12.870 -21.666 1.00 65.51 H new ATOM 0 HG22 VAL A 104 -3.569 -11.480 -21.279 1.00 65.51 H new ATOM 0 HG23 VAL A 104 -2.840 -13.043 -21.721 1.00 65.51 H new ATOM 1626 N ALA A 105 -2.184 -10.549 -17.707 1.00 61.52 N ATOM 1627 CA ALA A 105 -2.141 -9.116 -17.449 1.00 42.41 C ATOM 1628 C ALA A 105 -1.020 -8.449 -18.239 1.00 51.14 C ATOM 1629 O ALA A 105 -0.112 -9.118 -18.734 1.00 23.24 O ATOM 1630 CB ALA A 105 -1.968 -8.852 -15.960 1.00 75.25 C ATOM 0 H ALA A 105 -2.100 -11.130 -16.873 1.00 61.52 H new ATOM 0 HA ALA A 105 -3.087 -8.685 -17.776 1.00 42.41 H new ATOM 0 HB1 ALA A 105 -1.938 -7.777 -15.782 1.00 75.25 H new ATOM 0 HB2 ALA A 105 -2.805 -9.287 -15.414 1.00 75.25 H new ATOM 0 HB3 ALA A 105 -1.037 -9.303 -15.616 1.00 75.25 H new ATOM 1636 N LEU A 106 -1.090 -7.127 -18.356 1.00 61.40 N ATOM 1637 CA LEU A 106 -0.081 -6.370 -19.088 1.00 3.54 C ATOM 1638 C LEU A 106 0.279 -5.085 -18.347 1.00 72.32 C ATOM 1639 O LEU A 106 -0.584 -4.437 -17.756 1.00 42.21 O ATOM 1640 CB LEU A 106 -0.584 -6.037 -20.494 1.00 22.35 C ATOM 1641 CG LEU A 106 0.452 -6.126 -21.615 1.00 75.33 C ATOM 1642 CD1 LEU A 106 1.554 -5.099 -21.407 1.00 74.13 C ATOM 1643 CD2 LEU A 106 1.035 -7.529 -21.692 1.00 63.52 C ATOM 0 H LEU A 106 -1.835 -6.558 -17.953 1.00 61.40 H new ATOM 0 HA LEU A 106 0.814 -6.987 -19.166 1.00 3.54 H new ATOM 0 HB2 LEU A 106 -1.407 -6.710 -20.733 1.00 22.35 H new ATOM 0 HB3 LEU A 106 -0.992 -5.026 -20.483 1.00 22.35 H new ATOM 0 HG LEU A 106 -0.045 -5.908 -22.561 1.00 75.33 H new ATOM 0 HD11 LEU A 106 2.282 -5.178 -22.215 1.00 74.13 H new ATOM 0 HD12 LEU A 106 1.123 -4.098 -21.404 1.00 74.13 H new ATOM 0 HD13 LEU A 106 2.049 -5.284 -20.454 1.00 74.13 H new ATOM 0 HD21 LEU A 106 1.770 -7.574 -22.495 1.00 63.52 H new ATOM 0 HD22 LEU A 106 1.516 -7.776 -20.745 1.00 63.52 H new ATOM 0 HD23 LEU A 106 0.237 -8.244 -21.891 1.00 63.52 H new ATOM 1655 N GLU A 107 1.558 -4.724 -18.386 1.00 55.12 N ATOM 1656 CA GLU A 107 2.030 -3.516 -17.720 1.00 31.03 C ATOM 1657 C GLU A 107 3.076 -2.800 -18.569 1.00 4.04 C ATOM 1658 O GLU A 107 4.257 -3.146 -18.539 1.00 41.51 O ATOM 1659 CB GLU A 107 2.617 -3.860 -16.349 1.00 42.41 C ATOM 1660 CG GLU A 107 2.203 -5.228 -15.835 1.00 73.11 C ATOM 1661 CD GLU A 107 3.014 -6.352 -16.449 1.00 62.21 C ATOM 1662 OE1 GLU A 107 4.247 -6.372 -16.248 1.00 13.22 O ATOM 1663 OE2 GLU A 107 2.418 -7.212 -17.131 1.00 14.33 O ATOM 0 H GLU A 107 2.285 -5.250 -18.871 1.00 55.12 H new ATOM 0 HA GLU A 107 1.179 -2.849 -17.586 1.00 31.03 H new ATOM 0 HB2 GLU A 107 3.705 -3.817 -16.408 1.00 42.41 H new ATOM 0 HB3 GLU A 107 2.307 -3.102 -15.630 1.00 42.41 H new ATOM 0 HG2 GLU A 107 2.316 -5.254 -14.751 1.00 73.11 H new ATOM 0 HG3 GLU A 107 1.146 -5.388 -16.050 1.00 73.11 H new ATOM 1670 N ALA A 108 2.634 -1.801 -19.325 1.00 15.12 N ATOM 1671 CA ALA A 108 3.531 -1.035 -20.181 1.00 12.01 C ATOM 1672 C ALA A 108 3.118 0.432 -20.236 1.00 72.12 C ATOM 1673 O ALA A 108 1.932 0.757 -20.162 1.00 63.31 O ATOM 1674 CB ALA A 108 3.560 -1.630 -21.581 1.00 24.11 C ATOM 0 H ALA A 108 1.659 -1.503 -19.362 1.00 15.12 H new ATOM 0 HA ALA A 108 4.533 -1.087 -19.755 1.00 12.01 H new ATOM 0 HB1 ALA A 108 4.234 -1.048 -22.210 1.00 24.11 H new ATOM 0 HB2 ALA A 108 3.910 -2.661 -21.531 1.00 24.11 H new ATOM 0 HB3 ALA A 108 2.557 -1.608 -22.007 1.00 24.11 H new ATOM 1680 N HIS A 109 4.103 1.315 -20.366 1.00 70.11 N ATOM 1681 CA HIS A 109 3.841 2.748 -20.431 1.00 42.31 C ATOM 1682 C HIS A 109 4.007 3.267 -21.856 1.00 60.25 C ATOM 1683 O HIS A 109 5.125 3.499 -22.316 1.00 33.13 O ATOM 1684 CB HIS A 109 4.780 3.503 -19.489 1.00 71.22 C ATOM 1685 CG HIS A 109 4.924 4.955 -19.824 1.00 43.43 C ATOM 1686 ND1 HIS A 109 5.998 5.463 -20.524 1.00 43.14 N ATOM 1687 CD2 HIS A 109 4.121 6.011 -19.553 1.00 23.32 C ATOM 1688 CE1 HIS A 109 5.851 6.768 -20.667 1.00 53.05 C ATOM 1689 NE2 HIS A 109 4.719 7.125 -20.087 1.00 42.41 N ATOM 0 H HIS A 109 5.089 1.063 -20.428 1.00 70.11 H new ATOM 0 HA HIS A 109 2.811 2.918 -20.119 1.00 42.31 H new ATOM 0 HB2 HIS A 109 4.410 3.409 -18.468 1.00 71.22 H new ATOM 0 HB3 HIS A 109 5.763 3.033 -19.516 1.00 71.22 H new ATOM 0 HD1 HIS A 109 6.784 4.916 -20.876 1.00 43.14 H new ATOM 0 HD2 HIS A 109 3.184 5.982 -19.016 1.00 23.32 H new ATOM 0 HE1 HIS A 109 6.539 7.430 -21.172 1.00 53.05 H new ATOM 1697 N GLU A 110 2.887 3.445 -22.550 1.00 62.14 N ATOM 1698 CA GLU A 110 2.910 3.934 -23.924 1.00 1.22 C ATOM 1699 C GLU A 110 1.533 4.440 -24.344 1.00 60.23 C ATOM 1700 O GLU A 110 0.517 4.057 -23.766 1.00 34.21 O ATOM 1701 CB GLU A 110 3.372 2.828 -24.875 1.00 52.21 C ATOM 1702 CG GLU A 110 2.771 1.468 -24.564 1.00 74.23 C ATOM 1703 CD GLU A 110 2.801 0.531 -25.756 1.00 20.51 C ATOM 1704 OE1 GLU A 110 3.415 0.893 -26.781 1.00 22.21 O ATOM 1705 OE2 GLU A 110 2.210 -0.566 -25.663 1.00 4.04 O ATOM 0 H GLU A 110 1.953 3.258 -22.184 1.00 62.14 H new ATOM 0 HA GLU A 110 3.614 4.764 -23.976 1.00 1.22 H new ATOM 0 HB2 GLU A 110 3.111 3.106 -25.896 1.00 52.21 H new ATOM 0 HB3 GLU A 110 4.459 2.754 -24.832 1.00 52.21 H new ATOM 0 HG2 GLU A 110 3.316 1.015 -23.736 1.00 74.23 H new ATOM 0 HG3 GLU A 110 1.740 1.597 -24.234 1.00 74.23 H new ATOM 1712 N MET A 111 1.509 5.303 -25.355 1.00 22.23 N ATOM 1713 CA MET A 111 0.258 5.861 -25.853 1.00 75.33 C ATOM 1714 C MET A 111 -0.412 4.903 -26.834 1.00 32.04 C ATOM 1715 O MET A 111 -1.638 4.826 -26.902 1.00 12.41 O ATOM 1716 CB MET A 111 0.509 7.209 -26.531 1.00 65.00 C ATOM 1717 CG MET A 111 -0.689 7.733 -27.305 1.00 40.24 C ATOM 1718 SD MET A 111 -0.780 9.534 -27.309 1.00 0.03 S ATOM 1719 CE MET A 111 -1.621 9.833 -25.756 1.00 53.41 C ATOM 0 H MET A 111 2.342 5.631 -25.845 1.00 22.23 H new ATOM 0 HA MET A 111 -0.408 6.009 -25.003 1.00 75.33 H new ATOM 0 HB2 MET A 111 0.790 7.941 -25.773 1.00 65.00 H new ATOM 0 HB3 MET A 111 1.356 7.112 -27.210 1.00 65.00 H new ATOM 0 HG2 MET A 111 -0.638 7.373 -28.333 1.00 40.24 H new ATOM 0 HG3 MET A 111 -1.603 7.328 -26.870 1.00 40.24 H new ATOM 0 HE1 MET A 111 -1.752 10.906 -25.614 1.00 53.41 H new ATOM 0 HE2 MET A 111 -2.597 9.347 -25.771 1.00 53.41 H new ATOM 0 HE3 MET A 111 -1.027 9.428 -24.937 1.00 53.41 H new ATOM 1729 N GLY A 112 0.401 4.174 -27.592 1.00 24.14 N ATOM 1730 CA GLY A 112 -0.131 3.231 -28.558 1.00 52.41 C ATOM 1731 C GLY A 112 -0.868 2.081 -27.901 1.00 14.40 C ATOM 1732 O GLY A 112 -1.576 1.327 -28.568 1.00 61.52 O ATOM 0 H GLY A 112 1.419 4.220 -27.554 1.00 24.14 H new ATOM 0 HA2 GLY A 112 -0.808 3.752 -29.235 1.00 52.41 H new ATOM 0 HA3 GLY A 112 0.685 2.837 -29.164 1.00 52.41 H new ATOM 1736 N ASP A 113 -0.702 1.946 -26.590 1.00 42.20 N ATOM 1737 CA ASP A 113 -1.357 0.879 -25.842 1.00 45.11 C ATOM 1738 C ASP A 113 -2.869 1.076 -25.826 1.00 12.24 C ATOM 1739 O ASP A 113 -3.632 0.109 -25.835 1.00 51.21 O ATOM 1740 CB ASP A 113 -0.821 0.828 -24.410 1.00 62.24 C ATOM 1741 CG ASP A 113 -1.706 0.011 -23.490 1.00 12.01 C ATOM 1742 OD1 ASP A 113 -1.908 -1.189 -23.772 1.00 4.44 O ATOM 1743 OD2 ASP A 113 -2.198 0.572 -22.488 1.00 75.32 O ATOM 0 H ASP A 113 -0.119 2.562 -26.023 1.00 42.20 H new ATOM 0 HA ASP A 113 -1.137 -0.067 -26.338 1.00 45.11 H new ATOM 0 HB2 ASP A 113 0.183 0.403 -24.416 1.00 62.24 H new ATOM 0 HB3 ASP A 113 -0.735 1.843 -24.021 1.00 62.24 H new ATOM 1748 N LEU A 114 -3.296 2.334 -25.800 1.00 34.32 N ATOM 1749 CA LEU A 114 -4.719 2.658 -25.781 1.00 5.42 C ATOM 1750 C LEU A 114 -5.200 3.075 -27.167 1.00 14.54 C ATOM 1751 O LEU A 114 -6.348 3.485 -27.338 1.00 72.33 O ATOM 1752 CB LEU A 114 -4.993 3.778 -24.775 1.00 21.53 C ATOM 1753 CG LEU A 114 -4.188 3.724 -23.476 1.00 12.34 C ATOM 1754 CD1 LEU A 114 -2.978 4.641 -23.560 1.00 2.35 C ATOM 1755 CD2 LEU A 114 -5.064 4.102 -22.290 1.00 32.52 C ATOM 0 H LEU A 114 -2.678 3.146 -25.792 1.00 34.32 H new ATOM 0 HA LEU A 114 -5.267 1.765 -25.480 1.00 5.42 H new ATOM 0 HB2 LEU A 114 -4.796 4.733 -25.262 1.00 21.53 H new ATOM 0 HB3 LEU A 114 -6.053 3.762 -24.523 1.00 21.53 H new ATOM 0 HG LEU A 114 -3.835 2.703 -23.331 1.00 12.34 H new ATOM 0 HD11 LEU A 114 -2.417 4.590 -22.627 1.00 2.35 H new ATOM 0 HD12 LEU A 114 -2.339 4.326 -24.385 1.00 2.35 H new ATOM 0 HD13 LEU A 114 -3.309 5.666 -23.728 1.00 2.35 H new ATOM 0 HD21 LEU A 114 -4.475 4.058 -21.374 1.00 32.52 H new ATOM 0 HD22 LEU A 114 -5.446 5.113 -22.428 1.00 32.52 H new ATOM 0 HD23 LEU A 114 -5.899 3.405 -22.218 1.00 32.52 H new ATOM 1767 N ALA A 115 -4.316 2.967 -28.153 1.00 21.34 N ATOM 1768 CA ALA A 115 -4.652 3.328 -29.524 1.00 12.41 C ATOM 1769 C ALA A 115 -5.705 2.386 -30.098 1.00 25.31 C ATOM 1770 O ALA A 115 -6.809 2.794 -30.456 1.00 54.22 O ATOM 1771 CB ALA A 115 -3.403 3.321 -30.393 1.00 75.42 C ATOM 0 H ALA A 115 -3.361 2.632 -28.027 1.00 21.34 H new ATOM 0 HA ALA A 115 -5.070 4.335 -29.516 1.00 12.41 H new ATOM 0 HB1 ALA A 115 -3.669 3.592 -31.415 1.00 75.42 H new ATOM 0 HB2 ALA A 115 -2.684 4.040 -30.002 1.00 75.42 H new ATOM 0 HB3 ALA A 115 -2.960 2.325 -30.386 1.00 75.42 H new ATOM 1777 N PRO A 116 -5.356 1.094 -30.189 1.00 71.31 N ATOM 1778 CA PRO A 116 -6.257 0.066 -30.720 1.00 12.35 C ATOM 1779 C PRO A 116 -7.430 -0.214 -29.786 1.00 24.52 C ATOM 1780 O PRO A 116 -8.323 -0.998 -30.112 1.00 5.11 O ATOM 1781 CB PRO A 116 -5.359 -1.168 -30.836 1.00 1.41 C ATOM 1782 CG PRO A 116 -4.283 -0.949 -29.829 1.00 32.43 C ATOM 1783 CD PRO A 116 -4.056 0.536 -29.781 1.00 43.20 C ATOM 0 HA PRO A 116 -6.711 0.369 -31.664 1.00 12.35 H new ATOM 0 HB2 PRO A 116 -5.914 -2.083 -30.629 1.00 1.41 H new ATOM 0 HB3 PRO A 116 -4.947 -1.265 -31.841 1.00 1.41 H new ATOM 0 HG2 PRO A 116 -4.580 -1.330 -28.852 1.00 32.43 H new ATOM 0 HG3 PRO A 116 -3.371 -1.474 -30.112 1.00 32.43 H new ATOM 0 HD2 PRO A 116 -3.773 0.867 -28.782 1.00 43.20 H new ATOM 0 HD3 PRO A 116 -3.257 0.842 -30.457 1.00 43.20 H new ATOM 1791 N LEU A 117 -7.422 0.429 -28.624 1.00 2.51 N ATOM 1792 CA LEU A 117 -8.486 0.249 -27.642 1.00 42.42 C ATOM 1793 C LEU A 117 -9.085 -1.150 -27.739 1.00 61.01 C ATOM 1794 O LEU A 117 -8.558 -2.103 -27.166 1.00 2.34 O ATOM 1795 CB LEU A 117 -9.579 1.300 -27.847 1.00 22.20 C ATOM 1796 CG LEU A 117 -9.756 1.814 -29.276 1.00 73.21 C ATOM 1797 CD1 LEU A 117 -11.213 1.715 -29.702 1.00 0.12 C ATOM 1798 CD2 LEU A 117 -9.261 3.248 -29.392 1.00 62.14 C ATOM 0 H LEU A 117 -6.691 1.080 -28.338 1.00 2.51 H new ATOM 0 HA LEU A 117 -8.055 0.371 -26.648 1.00 42.42 H new ATOM 0 HB2 LEU A 117 -10.527 0.879 -27.514 1.00 22.20 H new ATOM 0 HB3 LEU A 117 -9.363 2.151 -27.200 1.00 22.20 H new ATOM 0 HG LEU A 117 -9.161 1.190 -29.943 1.00 73.21 H new ATOM 0 HD11 LEU A 117 -11.320 2.085 -30.722 1.00 0.12 H new ATOM 0 HD12 LEU A 117 -11.535 0.675 -29.658 1.00 0.12 H new ATOM 0 HD13 LEU A 117 -11.830 2.314 -29.032 1.00 0.12 H new ATOM 0 HD21 LEU A 117 -9.395 3.597 -30.416 1.00 62.14 H new ATOM 0 HD22 LEU A 117 -9.829 3.885 -28.714 1.00 62.14 H new ATOM 0 HD23 LEU A 117 -8.204 3.290 -29.129 1.00 62.14 H new ATOM 1810 N ALA A 118 -10.188 -1.266 -28.470 1.00 75.34 N ATOM 1811 CA ALA A 118 -10.857 -2.550 -28.646 1.00 42.32 C ATOM 1812 C ALA A 118 -10.206 -3.359 -29.762 1.00 64.43 C ATOM 1813 O ALA A 118 -9.538 -4.362 -29.506 1.00 72.43 O ATOM 1814 CB ALA A 118 -12.335 -2.339 -28.938 1.00 32.34 C ATOM 0 H ALA A 118 -10.638 -0.487 -28.950 1.00 75.34 H new ATOM 0 HA ALA A 118 -10.758 -3.114 -27.718 1.00 42.32 H new ATOM 0 HB1 ALA A 118 -12.822 -3.306 -29.067 1.00 32.34 H new ATOM 0 HB2 ALA A 118 -12.798 -1.808 -28.106 1.00 32.34 H new ATOM 0 HB3 ALA A 118 -12.446 -1.752 -29.850 1.00 32.34 H new TER 1820 ALA A 118