USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 19 ASN : amide:sc= 0.458 K(o=1.1,f=-0.43) USER MOD Set 1.2: A 53 THR OG1 : rot -39:sc= 0.625 USER MOD Set 2.1: A 2 ASN : amide:sc= 0.787 K(o=1.7,f=-1.6) USER MOD Set 2.2: A 11 THR OG1 : rot -97:sc= 0.958 USER MOD Single : A 1 MET CE :methyl -173:sc= -2.26! (180deg=-2.3!) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.06 (180deg=1.05) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -3.58! K(o=-3.6!,f=-2.4) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0602) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 40:sc= 0.488 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00429 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0569 (180deg=-0.301) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 92:sc= 0.74 USER MOD Single : A 40 ASN : amide:sc= 0.785 K(o=0.78,f=-0.25) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.391 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 147:sc= -1.34 (180deg=-4.71!) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 1.19 (180deg=-0.903) USER MOD Single : A 73 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.67) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 77 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.2) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.953 -10.809 -2.789 1.00 54.04 N ATOM 2 CA MET A 1 -2.135 -10.231 -1.685 1.00 50.34 C ATOM 3 C MET A 1 -2.737 -8.912 -1.162 1.00 42.45 C ATOM 4 O MET A 1 -3.372 -8.168 -1.914 1.00 31.33 O ATOM 5 CB MET A 1 -0.695 -9.988 -2.160 1.00 75.11 C ATOM 6 CG MET A 1 -0.588 -8.975 -3.291 1.00 3.12 C ATOM 7 SD MET A 1 1.109 -8.506 -3.678 1.00 64.21 S ATOM 8 CE MET A 1 1.744 -10.030 -4.366 1.00 51.34 C ATOM 0 H1 MET A 1 -2.396 -11.528 -3.294 1.00 54.04 H new ATOM 0 H2 MET A 1 -3.809 -11.248 -2.394 1.00 54.04 H new ATOM 0 H3 MET A 1 -3.225 -10.055 -3.451 1.00 54.04 H new ATOM 0 HA MET A 1 -2.133 -10.952 -0.867 1.00 50.34 H new ATOM 0 HB2 MET A 1 -0.097 -9.643 -1.317 1.00 75.11 H new ATOM 0 HB3 MET A 1 -0.266 -10.934 -2.489 1.00 75.11 H new ATOM 0 HG2 MET A 1 -1.055 -9.389 -4.185 1.00 3.12 H new ATOM 0 HG3 MET A 1 -1.151 -8.081 -3.022 1.00 3.12 H new ATOM 0 HE1 MET A 1 2.816 -9.933 -4.537 1.00 51.34 H new ATOM 0 HE2 MET A 1 1.560 -10.848 -3.670 1.00 51.34 H new ATOM 0 HE3 MET A 1 1.243 -10.239 -5.311 1.00 51.34 H new ATOM 20 N ASN A 2 -2.537 -8.639 0.129 1.00 70.43 N ATOM 21 CA ASN A 2 -2.983 -7.382 0.750 1.00 4.43 C ATOM 22 C ASN A 2 -1.818 -6.380 0.867 1.00 52.41 C ATOM 23 O ASN A 2 -0.776 -6.696 1.448 1.00 50.31 O ATOM 24 CB ASN A 2 -3.549 -7.657 2.149 1.00 3.51 C ATOM 25 CG ASN A 2 -4.661 -8.692 2.150 1.00 45.54 C ATOM 26 OD1 ASN A 2 -5.407 -8.829 1.187 1.00 71.12 O ATOM 27 ND2 ASN A 2 -4.781 -9.431 3.231 1.00 5.40 N ATOM 0 H ASN A 2 -2.066 -9.275 0.772 1.00 70.43 H new ATOM 0 HA ASN A 2 -3.757 -6.952 0.115 1.00 4.43 H new ATOM 0 HB2 ASN A 2 -2.743 -7.998 2.800 1.00 3.51 H new ATOM 0 HB3 ASN A 2 -3.927 -6.726 2.571 1.00 3.51 H new ATOM 0 HD21 ASN A 2 -5.510 -10.142 3.284 1.00 5.40 H new ATOM 0 HD22 ASN A 2 -4.145 -9.293 4.016 1.00 5.40 H new ATOM 34 N LEU A 3 -1.992 -5.178 0.311 1.00 33.33 N ATOM 35 CA LEU A 3 -0.967 -4.123 0.391 1.00 75.51 C ATOM 36 C LEU A 3 -1.508 -2.878 1.109 1.00 72.22 C ATOM 37 O LEU A 3 -2.570 -2.358 0.756 1.00 24.15 O ATOM 38 CB LEU A 3 -0.472 -3.698 -1.007 1.00 4.35 C ATOM 39 CG LEU A 3 0.090 -4.807 -1.917 1.00 1.23 C ATOM 40 CD1 LEU A 3 1.069 -5.704 -1.160 1.00 23.34 C ATOM 41 CD2 LEU A 3 -1.037 -5.618 -2.544 1.00 43.43 C ATOM 0 H LEU A 3 -2.832 -4.907 -0.200 1.00 33.33 H new ATOM 0 HA LEU A 3 -0.135 -4.546 0.955 1.00 75.51 H new ATOM 0 HB2 LEU A 3 -1.301 -3.219 -1.529 1.00 4.35 H new ATOM 0 HB3 LEU A 3 0.302 -2.942 -0.877 1.00 4.35 H new ATOM 0 HG LEU A 3 0.645 -4.329 -2.724 1.00 1.23 H new ATOM 0 HD11 LEU A 3 1.448 -6.476 -1.830 1.00 23.34 H new ATOM 0 HD12 LEU A 3 1.901 -5.104 -0.791 1.00 23.34 H new ATOM 0 HD13 LEU A 3 0.558 -6.172 -0.319 1.00 23.34 H new ATOM 0 HD21 LEU A 3 -0.615 -6.395 -3.182 1.00 43.43 H new ATOM 0 HD22 LEU A 3 -1.634 -6.079 -1.758 1.00 43.43 H new ATOM 0 HD23 LEU A 3 -1.669 -4.961 -3.142 1.00 43.43 H new ATOM 53 N THR A 4 -0.774 -2.390 2.105 1.00 52.01 N ATOM 54 CA THR A 4 -1.132 -1.137 2.780 1.00 13.14 C ATOM 55 C THR A 4 -0.705 0.069 1.923 1.00 75.34 C ATOM 56 O THR A 4 0.271 0.761 2.227 1.00 24.53 O ATOM 57 CB THR A 4 -0.478 -1.035 4.186 1.00 24.13 C ATOM 58 OG1 THR A 4 -0.712 -2.239 4.936 1.00 62.14 O ATOM 59 CG2 THR A 4 -1.031 0.151 4.966 1.00 41.45 C ATOM 0 H THR A 4 0.069 -2.837 2.464 1.00 52.01 H new ATOM 0 HA THR A 4 -2.214 -1.131 2.908 1.00 13.14 H new ATOM 0 HB THR A 4 0.593 -0.894 4.040 1.00 24.13 H new ATOM 0 HG1 THR A 4 -0.293 -2.161 5.819 1.00 62.14 H new ATOM 0 HG21 THR A 4 -0.555 0.196 5.945 1.00 41.45 H new ATOM 0 HG22 THR A 4 -0.827 1.072 4.420 1.00 41.45 H new ATOM 0 HG23 THR A 4 -2.107 0.034 5.091 1.00 41.45 H new ATOM 67 N VAL A 5 -1.434 0.301 0.833 1.00 60.22 N ATOM 68 CA VAL A 5 -1.074 1.330 -0.148 1.00 64.34 C ATOM 69 C VAL A 5 -1.286 2.758 0.403 1.00 2.12 C ATOM 70 O VAL A 5 -2.413 3.198 0.622 1.00 75.42 O ATOM 71 CB VAL A 5 -1.864 1.129 -1.475 1.00 5.00 C ATOM 72 CG1 VAL A 5 -3.376 1.175 -1.246 1.00 15.32 C ATOM 73 CG2 VAL A 5 -1.438 2.153 -2.523 1.00 4.21 C ATOM 0 H VAL A 5 -2.285 -0.213 0.603 1.00 60.22 H new ATOM 0 HA VAL A 5 -0.010 1.218 -0.355 1.00 64.34 H new ATOM 0 HB VAL A 5 -1.622 0.135 -1.852 1.00 5.00 H new ATOM 0 HG11 VAL A 5 -3.892 1.031 -2.195 1.00 15.32 H new ATOM 0 HG12 VAL A 5 -3.663 0.384 -0.553 1.00 15.32 H new ATOM 0 HG13 VAL A 5 -3.651 2.143 -0.827 1.00 15.32 H new ATOM 0 HG21 VAL A 5 -2.004 1.992 -3.440 1.00 4.21 H new ATOM 0 HG22 VAL A 5 -1.632 3.158 -2.149 1.00 4.21 H new ATOM 0 HG23 VAL A 5 -0.373 2.041 -2.729 1.00 4.21 H new ATOM 83 N ASN A 6 -0.177 3.468 0.643 1.00 4.43 N ATOM 84 CA ASN A 6 -0.208 4.831 1.214 1.00 14.40 C ATOM 85 C ASN A 6 -0.882 4.858 2.599 1.00 22.01 C ATOM 86 O ASN A 6 -1.344 5.906 3.057 1.00 23.23 O ATOM 87 CB ASN A 6 -0.928 5.815 0.280 1.00 54.25 C ATOM 88 CG ASN A 6 -0.302 5.888 -1.098 1.00 10.53 C ATOM 89 OD1 ASN A 6 0.684 6.582 -1.309 1.00 41.41 O ATOM 90 ND2 ASN A 6 -0.889 5.204 -2.053 1.00 1.15 N ATOM 0 H ASN A 6 0.763 3.122 0.451 1.00 4.43 H new ATOM 0 HA ASN A 6 0.831 5.141 1.326 1.00 14.40 H new ATOM 0 HB2 ASN A 6 -1.972 5.518 0.183 1.00 54.25 H new ATOM 0 HB3 ASN A 6 -0.919 6.808 0.730 1.00 54.25 H new ATOM 0 HD21 ASN A 6 -0.525 5.241 -3.005 1.00 1.15 H new ATOM 0 HD22 ASN A 6 -1.709 4.635 -1.843 1.00 1.15 H new ATOM 97 N GLY A 7 -0.928 3.709 3.265 1.00 75.41 N ATOM 98 CA GLY A 7 -1.611 3.616 4.552 1.00 4.51 C ATOM 99 C GLY A 7 -3.036 3.078 4.435 1.00 74.34 C ATOM 100 O GLY A 7 -3.713 2.875 5.444 1.00 70.02 O ATOM 0 H GLY A 7 -0.506 2.839 2.941 1.00 75.41 H new ATOM 0 HA2 GLY A 7 -1.038 2.968 5.215 1.00 4.51 H new ATOM 0 HA3 GLY A 7 -1.638 4.603 5.015 1.00 4.51 H new ATOM 104 N LYS A 8 -3.491 2.855 3.201 1.00 71.44 N ATOM 105 CA LYS A 8 -4.831 2.311 2.943 1.00 41.03 C ATOM 106 C LYS A 8 -4.751 0.814 2.583 1.00 65.41 C ATOM 107 O LYS A 8 -3.891 0.401 1.806 1.00 51.32 O ATOM 108 CB LYS A 8 -5.525 3.076 1.796 1.00 51.53 C ATOM 109 CG LYS A 8 -5.729 4.573 2.049 1.00 3.21 C ATOM 110 CD LYS A 8 -4.439 5.373 1.869 1.00 2.55 C ATOM 111 CE LYS A 8 -4.646 6.864 2.118 1.00 11.22 C ATOM 112 NZ LYS A 8 -5.001 7.155 3.533 1.00 14.33 N ATOM 0 H LYS A 8 -2.949 3.043 2.358 1.00 71.44 H new ATOM 0 HA LYS A 8 -5.416 2.431 3.855 1.00 41.03 H new ATOM 0 HB2 LYS A 8 -4.935 2.953 0.888 1.00 51.53 H new ATOM 0 HB3 LYS A 8 -6.496 2.618 1.609 1.00 51.53 H new ATOM 0 HG2 LYS A 8 -6.489 4.954 1.367 1.00 3.21 H new ATOM 0 HG3 LYS A 8 -6.107 4.720 3.061 1.00 3.21 H new ATOM 0 HD2 LYS A 8 -3.680 4.994 2.553 1.00 2.55 H new ATOM 0 HD3 LYS A 8 -4.059 5.224 0.858 1.00 2.55 H new ATOM 0 HE2 LYS A 8 -3.736 7.404 1.855 1.00 11.22 H new ATOM 0 HE3 LYS A 8 -5.436 7.233 1.464 1.00 11.22 H new ATOM 0 HZ1 LYS A 8 -4.999 8.184 3.687 1.00 14.33 H new ATOM 0 HZ2 LYS A 8 -5.947 6.776 3.738 1.00 14.33 H new ATOM 0 HZ3 LYS A 8 -4.305 6.709 4.164 1.00 14.33 H new ATOM 126 N PRO A 9 -5.643 -0.023 3.135 1.00 1.24 N ATOM 127 CA PRO A 9 -5.642 -1.466 2.856 1.00 63.31 C ATOM 128 C PRO A 9 -6.297 -1.824 1.505 1.00 53.13 C ATOM 129 O PRO A 9 -7.520 -1.780 1.355 1.00 62.33 O ATOM 130 CB PRO A 9 -6.445 -2.034 4.029 1.00 21.20 C ATOM 131 CG PRO A 9 -7.404 -0.945 4.398 1.00 72.52 C ATOM 132 CD PRO A 9 -6.717 0.360 4.077 1.00 32.23 C ATOM 0 HA PRO A 9 -4.633 -1.869 2.770 1.00 63.31 H new ATOM 0 HB2 PRO A 9 -6.971 -2.945 3.744 1.00 21.20 H new ATOM 0 HB3 PRO A 9 -5.796 -2.290 4.866 1.00 21.20 H new ATOM 0 HG2 PRO A 9 -8.334 -1.041 3.838 1.00 72.52 H new ATOM 0 HG3 PRO A 9 -7.662 -0.997 5.456 1.00 72.52 H new ATOM 0 HD2 PRO A 9 -7.407 1.074 3.627 1.00 32.23 H new ATOM 0 HD3 PRO A 9 -6.313 0.829 4.974 1.00 32.23 H new ATOM 140 N SER A 10 -5.473 -2.150 0.512 1.00 63.15 N ATOM 141 CA SER A 10 -5.971 -2.601 -0.798 1.00 11.40 C ATOM 142 C SER A 10 -5.589 -4.063 -1.047 1.00 31.33 C ATOM 143 O SER A 10 -4.594 -4.555 -0.511 1.00 55.41 O ATOM 144 CB SER A 10 -5.425 -1.720 -1.930 1.00 53.11 C ATOM 145 OG SER A 10 -5.951 -2.116 -3.188 1.00 71.54 O ATOM 0 H SER A 10 -4.456 -2.112 0.583 1.00 63.15 H new ATOM 0 HA SER A 10 -7.058 -2.515 -0.786 1.00 11.40 H new ATOM 0 HB2 SER A 10 -5.680 -0.678 -1.738 1.00 53.11 H new ATOM 0 HB3 SER A 10 -4.337 -1.784 -1.951 1.00 53.11 H new ATOM 0 HG SER A 10 -5.588 -1.537 -3.891 1.00 71.54 H new ATOM 151 N THR A 11 -6.372 -4.759 -1.862 1.00 53.04 N ATOM 152 CA THR A 11 -6.157 -6.194 -2.087 1.00 13.21 C ATOM 153 C THR A 11 -6.257 -6.566 -3.569 1.00 35.22 C ATOM 154 O THR A 11 -7.325 -6.455 -4.181 1.00 4.31 O ATOM 155 CB THR A 11 -7.179 -7.049 -1.293 1.00 30.44 C ATOM 156 OG1 THR A 11 -7.058 -6.785 0.115 1.00 33.13 O ATOM 157 CG2 THR A 11 -6.979 -8.542 -1.553 1.00 62.10 C ATOM 0 H THR A 11 -7.158 -4.362 -2.377 1.00 53.04 H new ATOM 0 HA THR A 11 -5.147 -6.406 -1.736 1.00 13.21 H new ATOM 0 HB THR A 11 -8.177 -6.773 -1.633 1.00 30.44 H new ATOM 0 HG1 THR A 11 -6.494 -7.471 0.529 1.00 33.13 H new ATOM 0 HG21 THR A 11 -7.711 -9.112 -0.981 1.00 62.10 H new ATOM 0 HG22 THR A 11 -7.109 -8.747 -2.616 1.00 62.10 H new ATOM 0 HG23 THR A 11 -5.974 -8.833 -1.248 1.00 62.10 H new ATOM 165 N VAL A 12 -5.139 -7.001 -4.143 1.00 53.34 N ATOM 166 CA VAL A 12 -5.139 -7.568 -5.494 1.00 21.44 C ATOM 167 C VAL A 12 -5.275 -9.099 -5.425 1.00 42.14 C ATOM 168 O VAL A 12 -4.382 -9.806 -4.944 1.00 1.40 O ATOM 169 CB VAL A 12 -3.873 -7.164 -6.301 1.00 71.05 C ATOM 170 CG1 VAL A 12 -3.876 -5.662 -6.580 1.00 71.25 C ATOM 171 CG2 VAL A 12 -2.592 -7.568 -5.574 1.00 23.11 C ATOM 0 H VAL A 12 -4.222 -6.973 -3.697 1.00 53.34 H new ATOM 0 HA VAL A 12 -5.998 -7.156 -6.024 1.00 21.44 H new ATOM 0 HB VAL A 12 -3.899 -7.700 -7.250 1.00 71.05 H new ATOM 0 HG11 VAL A 12 -2.983 -5.395 -7.146 1.00 71.25 H new ATOM 0 HG12 VAL A 12 -4.763 -5.401 -7.157 1.00 71.25 H new ATOM 0 HG13 VAL A 12 -3.884 -5.117 -5.636 1.00 71.25 H new ATOM 0 HG21 VAL A 12 -1.728 -7.270 -6.167 1.00 23.11 H new ATOM 0 HG22 VAL A 12 -2.553 -7.074 -4.603 1.00 23.11 H new ATOM 0 HG23 VAL A 12 -2.580 -8.649 -5.432 1.00 23.11 H new ATOM 181 N ASP A 13 -6.416 -9.596 -5.889 1.00 4.24 N ATOM 182 CA ASP A 13 -6.770 -11.012 -5.760 1.00 71.43 C ATOM 183 C ASP A 13 -5.878 -11.923 -6.633 1.00 31.35 C ATOM 184 O ASP A 13 -5.408 -11.518 -7.700 1.00 70.45 O ATOM 185 CB ASP A 13 -8.248 -11.190 -6.128 1.00 4.31 C ATOM 186 CG ASP A 13 -8.725 -12.621 -5.971 1.00 22.35 C ATOM 187 OD1 ASP A 13 -8.947 -13.051 -4.822 1.00 55.04 O ATOM 188 OD2 ASP A 13 -8.870 -13.320 -6.993 1.00 44.33 O ATOM 0 H ASP A 13 -7.122 -9.034 -6.364 1.00 4.24 H new ATOM 0 HA ASP A 13 -6.602 -11.314 -4.726 1.00 71.43 H new ATOM 0 HB2 ASP A 13 -8.855 -10.539 -5.499 1.00 4.31 H new ATOM 0 HB3 ASP A 13 -8.402 -10.872 -7.159 1.00 4.31 H new ATOM 193 N GLY A 14 -5.640 -13.149 -6.163 1.00 63.53 N ATOM 194 CA GLY A 14 -4.846 -14.116 -6.919 1.00 45.13 C ATOM 195 C GLY A 14 -3.342 -13.968 -6.703 1.00 41.54 C ATOM 196 O GLY A 14 -2.675 -14.907 -6.265 1.00 55.10 O ATOM 0 H GLY A 14 -5.984 -13.493 -5.267 1.00 63.53 H new ATOM 0 HA2 GLY A 14 -5.149 -15.124 -6.635 1.00 45.13 H new ATOM 0 HA3 GLY A 14 -5.066 -14.004 -7.981 1.00 45.13 H new ATOM 200 N ALA A 15 -2.811 -12.784 -7.007 1.00 13.44 N ATOM 201 CA ALA A 15 -1.375 -12.507 -6.864 1.00 11.14 C ATOM 202 C ALA A 15 -0.878 -12.742 -5.425 1.00 72.33 C ATOM 203 O ALA A 15 -1.231 -11.997 -4.506 1.00 34.10 O ATOM 204 CB ALA A 15 -1.079 -11.075 -7.298 1.00 41.01 C ATOM 0 H ALA A 15 -3.354 -11.995 -7.356 1.00 13.44 H new ATOM 0 HA ALA A 15 -0.838 -13.204 -7.508 1.00 11.14 H new ATOM 0 HB1 ALA A 15 -0.013 -10.875 -7.190 1.00 41.01 H new ATOM 0 HB2 ALA A 15 -1.369 -10.943 -8.340 1.00 41.01 H new ATOM 0 HB3 ALA A 15 -1.643 -10.382 -6.674 1.00 41.01 H new ATOM 210 N GLU A 16 -0.068 -13.787 -5.240 1.00 50.30 N ATOM 211 CA GLU A 16 0.529 -14.092 -3.930 1.00 53.34 C ATOM 212 C GLU A 16 1.930 -13.477 -3.793 1.00 74.54 C ATOM 213 O GLU A 16 2.203 -12.727 -2.857 1.00 70.00 O ATOM 214 CB GLU A 16 0.628 -15.613 -3.716 1.00 74.35 C ATOM 215 CG GLU A 16 -0.711 -16.340 -3.705 1.00 44.42 C ATOM 216 CD GLU A 16 -0.555 -17.824 -3.411 1.00 63.11 C ATOM 217 OE1 GLU A 16 -0.486 -18.196 -2.218 1.00 72.12 O ATOM 218 OE2 GLU A 16 -0.475 -18.622 -4.366 1.00 73.34 O ATOM 0 H GLU A 16 0.192 -14.439 -5.980 1.00 50.30 H new ATOM 0 HA GLU A 16 -0.124 -13.657 -3.173 1.00 53.34 H new ATOM 0 HB2 GLU A 16 1.251 -16.038 -4.503 1.00 74.35 H new ATOM 0 HB3 GLU A 16 1.137 -15.801 -2.771 1.00 74.35 H new ATOM 0 HG2 GLU A 16 -1.361 -15.889 -2.956 1.00 44.42 H new ATOM 0 HG3 GLU A 16 -1.200 -16.212 -4.671 1.00 44.42 H new ATOM 225 N SER A 17 2.814 -13.802 -4.735 1.00 31.32 N ATOM 226 CA SER A 17 4.202 -13.318 -4.700 1.00 3.32 C ATOM 227 C SER A 17 4.725 -13.013 -6.109 1.00 42.22 C ATOM 228 O SER A 17 4.856 -13.911 -6.942 1.00 22.12 O ATOM 229 CB SER A 17 5.115 -14.352 -4.031 1.00 5.24 C ATOM 230 OG SER A 17 5.056 -15.608 -4.699 1.00 61.44 O ATOM 0 H SER A 17 2.598 -14.398 -5.534 1.00 31.32 H new ATOM 0 HA SER A 17 4.210 -12.395 -4.120 1.00 3.32 H new ATOM 0 HB2 SER A 17 6.142 -13.986 -4.031 1.00 5.24 H new ATOM 0 HB3 SER A 17 4.821 -14.478 -2.989 1.00 5.24 H new ATOM 0 HG SER A 17 5.017 -15.462 -5.667 1.00 61.44 H new ATOM 236 N LEU A 18 5.030 -11.744 -6.364 1.00 24.21 N ATOM 237 CA LEU A 18 5.534 -11.312 -7.674 1.00 74.33 C ATOM 238 C LEU A 18 6.312 -9.992 -7.580 1.00 63.31 C ATOM 239 O LEU A 18 6.232 -9.284 -6.581 1.00 2.10 O ATOM 240 CB LEU A 18 4.379 -11.188 -8.687 1.00 72.43 C ATOM 241 CG LEU A 18 3.039 -10.644 -8.147 1.00 60.12 C ATOM 242 CD1 LEU A 18 3.192 -9.236 -7.583 1.00 21.05 C ATOM 243 CD2 LEU A 18 1.976 -10.670 -9.246 1.00 23.01 C ATOM 0 H LEU A 18 4.938 -10.991 -5.682 1.00 24.21 H new ATOM 0 HA LEU A 18 6.227 -12.077 -8.024 1.00 74.33 H new ATOM 0 HB2 LEU A 18 4.707 -10.539 -9.499 1.00 72.43 H new ATOM 0 HB3 LEU A 18 4.198 -12.172 -9.118 1.00 72.43 H new ATOM 0 HG LEU A 18 2.720 -11.292 -7.331 1.00 60.12 H new ATOM 0 HD11 LEU A 18 2.229 -8.886 -7.212 1.00 21.05 H new ATOM 0 HD12 LEU A 18 3.913 -9.248 -6.766 1.00 21.05 H new ATOM 0 HD13 LEU A 18 3.544 -8.566 -8.367 1.00 21.05 H new ATOM 0 HD21 LEU A 18 1.036 -10.284 -8.852 1.00 23.01 H new ATOM 0 HD22 LEU A 18 2.301 -10.050 -10.082 1.00 23.01 H new ATOM 0 HD23 LEU A 18 1.832 -11.695 -9.589 1.00 23.01 H new ATOM 255 N ASN A 19 7.060 -9.664 -8.629 1.00 40.41 N ATOM 256 CA ASN A 19 7.824 -8.412 -8.671 1.00 61.34 C ATOM 257 C ASN A 19 6.894 -7.194 -8.707 1.00 41.12 C ATOM 258 O ASN A 19 5.721 -7.311 -9.064 1.00 35.12 O ATOM 259 CB ASN A 19 8.729 -8.386 -9.905 1.00 42.20 C ATOM 260 CG ASN A 19 9.596 -9.620 -10.016 1.00 44.50 C ATOM 261 OD1 ASN A 19 9.962 -10.238 -9.018 1.00 31.13 O ATOM 262 ND2 ASN A 19 9.941 -9.986 -11.232 1.00 24.45 N ATOM 0 H ASN A 19 7.156 -10.244 -9.463 1.00 40.41 H new ATOM 0 HA ASN A 19 8.430 -8.365 -7.766 1.00 61.34 H new ATOM 0 HB2 ASN A 19 8.114 -8.297 -10.800 1.00 42.20 H new ATOM 0 HB3 ASN A 19 9.365 -7.502 -9.866 1.00 42.20 H new ATOM 0 HD21 ASN A 19 10.531 -10.807 -11.370 1.00 24.45 H new ATOM 0 HD22 ASN A 19 9.619 -9.449 -12.037 1.00 24.45 H new ATOM 269 N VAL A 20 7.421 -6.021 -8.358 1.00 53.15 N ATOM 270 CA VAL A 20 6.639 -4.780 -8.430 1.00 54.11 C ATOM 271 C VAL A 20 6.090 -4.568 -9.851 1.00 2.24 C ATOM 272 O VAL A 20 4.933 -4.192 -10.034 1.00 4.24 O ATOM 273 CB VAL A 20 7.476 -3.545 -8.011 1.00 3.15 C ATOM 274 CG1 VAL A 20 6.628 -2.275 -8.048 1.00 71.24 C ATOM 275 CG2 VAL A 20 8.090 -3.750 -6.626 1.00 43.54 C ATOM 0 H VAL A 20 8.377 -5.900 -8.025 1.00 53.15 H new ATOM 0 HA VAL A 20 5.810 -4.884 -7.730 1.00 54.11 H new ATOM 0 HB VAL A 20 8.289 -3.428 -8.728 1.00 3.15 H new ATOM 0 HG11 VAL A 20 7.237 -1.422 -7.750 1.00 71.24 H new ATOM 0 HG12 VAL A 20 6.253 -2.117 -9.059 1.00 71.24 H new ATOM 0 HG13 VAL A 20 5.788 -2.378 -7.361 1.00 71.24 H new ATOM 0 HG21 VAL A 20 8.673 -2.871 -6.353 1.00 43.54 H new ATOM 0 HG22 VAL A 20 7.296 -3.901 -5.895 1.00 43.54 H new ATOM 0 HG23 VAL A 20 8.739 -4.625 -6.642 1.00 43.54 H new ATOM 285 N THR A 21 6.926 -4.839 -10.854 1.00 21.43 N ATOM 286 CA THR A 21 6.510 -4.773 -12.263 1.00 21.11 C ATOM 287 C THR A 21 5.342 -5.731 -12.547 1.00 1.34 C ATOM 288 O THR A 21 4.346 -5.354 -13.170 1.00 0.35 O ATOM 289 CB THR A 21 7.679 -5.115 -13.220 1.00 20.41 C ATOM 290 OG1 THR A 21 8.783 -4.230 -12.983 1.00 30.03 O ATOM 291 CG2 THR A 21 7.249 -5.008 -14.681 1.00 74.04 C ATOM 0 H THR A 21 7.901 -5.108 -10.720 1.00 21.43 H new ATOM 0 HA THR A 21 6.189 -3.747 -12.443 1.00 21.11 H new ATOM 0 HB THR A 21 7.981 -6.144 -13.023 1.00 20.41 H new ATOM 0 HG1 THR A 21 9.518 -4.454 -13.591 1.00 30.03 H new ATOM 0 HG21 THR A 21 8.092 -5.254 -15.327 1.00 74.04 H new ATOM 0 HG22 THR A 21 6.431 -5.703 -14.871 1.00 74.04 H new ATOM 0 HG23 THR A 21 6.917 -3.991 -14.889 1.00 74.04 H new ATOM 299 N GLU A 22 5.468 -6.973 -12.078 1.00 61.44 N ATOM 300 CA GLU A 22 4.414 -7.977 -12.260 1.00 70.11 C ATOM 301 C GLU A 22 3.137 -7.588 -11.487 1.00 21.14 C ATOM 302 O GLU A 22 2.020 -7.885 -11.917 1.00 74.41 O ATOM 303 CB GLU A 22 4.916 -9.365 -11.822 1.00 60.03 C ATOM 304 CG GLU A 22 6.138 -9.852 -12.604 1.00 4.23 C ATOM 305 CD GLU A 22 6.591 -11.251 -12.197 1.00 11.32 C ATOM 306 OE1 GLU A 22 7.037 -11.422 -11.045 1.00 14.22 O ATOM 307 OE2 GLU A 22 6.518 -12.178 -13.033 1.00 5.15 O ATOM 0 H GLU A 22 6.286 -7.309 -11.570 1.00 61.44 H new ATOM 0 HA GLU A 22 4.162 -8.018 -13.320 1.00 70.11 H new ATOM 0 HB2 GLU A 22 5.163 -9.334 -10.761 1.00 60.03 H new ATOM 0 HB3 GLU A 22 4.108 -10.088 -11.940 1.00 60.03 H new ATOM 0 HG2 GLU A 22 5.906 -9.847 -13.669 1.00 4.23 H new ATOM 0 HG3 GLU A 22 6.960 -9.152 -12.454 1.00 4.23 H new ATOM 314 N LEU A 23 3.313 -6.903 -10.355 1.00 54.23 N ATOM 315 CA LEU A 23 2.188 -6.369 -9.575 1.00 23.24 C ATOM 316 C LEU A 23 1.460 -5.286 -10.384 1.00 35.25 C ATOM 317 O LEU A 23 0.233 -5.286 -10.479 1.00 44.23 O ATOM 318 CB LEU A 23 2.704 -5.806 -8.233 1.00 40.32 C ATOM 319 CG LEU A 23 1.639 -5.496 -7.153 1.00 62.54 C ATOM 320 CD1 LEU A 23 2.296 -5.355 -5.779 1.00 72.21 C ATOM 321 CD2 LEU A 23 0.849 -4.228 -7.485 1.00 4.31 C ATOM 0 H LEU A 23 4.229 -6.703 -9.954 1.00 54.23 H new ATOM 0 HA LEU A 23 1.479 -7.169 -9.361 1.00 23.24 H new ATOM 0 HB2 LEU A 23 3.414 -6.520 -7.815 1.00 40.32 H new ATOM 0 HB3 LEU A 23 3.257 -4.889 -8.439 1.00 40.32 H new ATOM 0 HG LEU A 23 0.941 -6.333 -7.134 1.00 62.54 H new ATOM 0 HD11 LEU A 23 1.533 -5.137 -5.032 1.00 72.21 H new ATOM 0 HD12 LEU A 23 2.802 -6.285 -5.521 1.00 72.21 H new ATOM 0 HD13 LEU A 23 3.022 -4.542 -5.804 1.00 72.21 H new ATOM 0 HD21 LEU A 23 0.111 -4.044 -6.704 1.00 4.31 H new ATOM 0 HD22 LEU A 23 1.531 -3.380 -7.547 1.00 4.31 H new ATOM 0 HD23 LEU A 23 0.341 -4.356 -8.441 1.00 4.31 H new ATOM 333 N LEU A 24 2.233 -4.372 -10.972 1.00 14.23 N ATOM 334 CA LEU A 24 1.683 -3.327 -11.841 1.00 63.34 C ATOM 335 C LEU A 24 0.882 -3.940 -13.004 1.00 43.22 C ATOM 336 O LEU A 24 -0.146 -3.401 -13.423 1.00 0.44 O ATOM 337 CB LEU A 24 2.815 -2.444 -12.385 1.00 12.43 C ATOM 338 CG LEU A 24 3.606 -1.654 -11.326 1.00 14.43 C ATOM 339 CD1 LEU A 24 4.708 -0.823 -11.978 1.00 31.42 C ATOM 340 CD2 LEU A 24 2.673 -0.764 -10.506 1.00 4.33 C ATOM 0 H LEU A 24 3.246 -4.333 -10.862 1.00 14.23 H new ATOM 0 HA LEU A 24 1.005 -2.713 -11.249 1.00 63.34 H new ATOM 0 HB2 LEU A 24 3.511 -3.075 -12.937 1.00 12.43 H new ATOM 0 HB3 LEU A 24 2.390 -1.737 -13.098 1.00 12.43 H new ATOM 0 HG LEU A 24 4.075 -2.370 -10.651 1.00 14.43 H new ATOM 0 HD11 LEU A 24 5.253 -0.274 -11.210 1.00 31.42 H new ATOM 0 HD12 LEU A 24 5.395 -1.482 -12.509 1.00 31.42 H new ATOM 0 HD13 LEU A 24 4.264 -0.119 -12.682 1.00 31.42 H new ATOM 0 HD21 LEU A 24 3.253 -0.215 -9.764 1.00 4.33 H new ATOM 0 HD22 LEU A 24 2.169 -0.059 -11.167 1.00 4.33 H new ATOM 0 HD23 LEU A 24 1.931 -1.382 -10.001 1.00 4.33 H new ATOM 352 N SER A 25 1.361 -5.081 -13.509 1.00 12.32 N ATOM 353 CA SER A 25 0.654 -5.832 -14.562 1.00 34.44 C ATOM 354 C SER A 25 -0.699 -6.361 -14.059 1.00 31.24 C ATOM 355 O SER A 25 -1.747 -6.069 -14.641 1.00 10.54 O ATOM 356 CB SER A 25 1.515 -7.004 -15.066 1.00 71.14 C ATOM 357 OG SER A 25 0.829 -7.779 -16.044 1.00 42.12 O ATOM 0 H SER A 25 2.237 -5.509 -13.208 1.00 12.32 H new ATOM 0 HA SER A 25 0.470 -5.144 -15.387 1.00 34.44 H new ATOM 0 HB2 SER A 25 2.441 -6.618 -15.492 1.00 71.14 H new ATOM 0 HB3 SER A 25 1.791 -7.641 -14.225 1.00 71.14 H new ATOM 0 HG SER A 25 1.405 -8.513 -16.343 1.00 42.12 H new ATOM 363 N ALA A 26 -0.667 -7.122 -12.963 1.00 30.24 N ATOM 364 CA ALA A 26 -1.881 -7.713 -12.375 1.00 64.24 C ATOM 365 C ALA A 26 -2.906 -6.645 -11.949 1.00 21.43 C ATOM 366 O ALA A 26 -4.114 -6.845 -12.073 1.00 43.14 O ATOM 367 CB ALA A 26 -1.509 -8.591 -11.183 1.00 24.40 C ATOM 0 H ALA A 26 0.190 -7.347 -12.459 1.00 30.24 H new ATOM 0 HA ALA A 26 -2.353 -8.322 -13.146 1.00 64.24 H new ATOM 0 HB1 ALA A 26 -2.413 -9.024 -10.754 1.00 24.40 H new ATOM 0 HB2 ALA A 26 -0.845 -9.390 -11.513 1.00 24.40 H new ATOM 0 HB3 ALA A 26 -1.003 -7.987 -10.430 1.00 24.40 H new ATOM 373 N LEU A 27 -2.413 -5.518 -11.439 1.00 31.24 N ATOM 374 CA LEU A 27 -3.274 -4.402 -11.025 1.00 24.24 C ATOM 375 C LEU A 27 -3.725 -3.562 -12.233 1.00 12.21 C ATOM 376 O LEU A 27 -4.748 -2.872 -12.178 1.00 34.44 O ATOM 377 CB LEU A 27 -2.521 -3.509 -10.021 1.00 12.12 C ATOM 378 CG LEU A 27 -3.283 -2.264 -9.522 1.00 42.11 C ATOM 379 CD1 LEU A 27 -4.555 -2.660 -8.774 1.00 52.42 C ATOM 380 CD2 LEU A 27 -2.384 -1.399 -8.640 1.00 60.24 C ATOM 0 H LEU A 27 -1.417 -5.349 -11.300 1.00 31.24 H new ATOM 0 HA LEU A 27 -4.164 -4.818 -10.553 1.00 24.24 H new ATOM 0 HB2 LEU A 27 -2.250 -4.116 -9.157 1.00 12.12 H new ATOM 0 HB3 LEU A 27 -1.591 -3.180 -10.484 1.00 12.12 H new ATOM 0 HG LEU A 27 -3.576 -1.678 -10.393 1.00 42.11 H new ATOM 0 HD11 LEU A 27 -5.071 -1.762 -8.434 1.00 52.42 H new ATOM 0 HD12 LEU A 27 -5.208 -3.224 -9.440 1.00 52.42 H new ATOM 0 HD13 LEU A 27 -4.294 -3.276 -7.914 1.00 52.42 H new ATOM 0 HD21 LEU A 27 -2.940 -0.526 -8.299 1.00 60.24 H new ATOM 0 HD22 LEU A 27 -2.054 -1.979 -7.778 1.00 60.24 H new ATOM 0 HD23 LEU A 27 -1.516 -1.074 -9.213 1.00 60.24 H new ATOM 392 N LYS A 28 -2.955 -3.633 -13.322 1.00 31.21 N ATOM 393 CA LYS A 28 -3.198 -2.822 -14.520 1.00 21.30 C ATOM 394 C LYS A 28 -3.044 -1.329 -14.177 1.00 21.10 C ATOM 395 O LYS A 28 -4.024 -0.629 -13.901 1.00 53.43 O ATOM 396 CB LYS A 28 -4.590 -3.137 -15.121 1.00 4.12 C ATOM 397 CG LYS A 28 -4.762 -2.755 -16.594 1.00 72.02 C ATOM 398 CD LYS A 28 -4.890 -1.249 -16.806 1.00 73.42 C ATOM 399 CE LYS A 28 -5.194 -0.909 -18.259 1.00 73.13 C ATOM 400 NZ LYS A 28 -6.500 -1.468 -18.702 1.00 44.24 N ATOM 0 H LYS A 28 -2.148 -4.252 -13.399 1.00 31.21 H new ATOM 0 HA LYS A 28 -2.458 -3.071 -15.281 1.00 21.30 H new ATOM 0 HB2 LYS A 28 -4.782 -4.205 -15.014 1.00 4.12 H new ATOM 0 HB3 LYS A 28 -5.348 -2.616 -14.536 1.00 4.12 H new ATOM 0 HG2 LYS A 28 -3.909 -3.126 -17.162 1.00 72.02 H new ATOM 0 HG3 LYS A 28 -5.649 -3.249 -16.991 1.00 72.02 H new ATOM 0 HD2 LYS A 28 -5.682 -0.858 -16.167 1.00 73.42 H new ATOM 0 HD3 LYS A 28 -3.965 -0.759 -16.503 1.00 73.42 H new ATOM 0 HE2 LYS A 28 -5.202 0.174 -18.384 1.00 73.13 H new ATOM 0 HE3 LYS A 28 -4.399 -1.297 -18.896 1.00 73.13 H new ATOM 0 HZ1 LYS A 28 -6.797 -1.001 -19.583 1.00 44.24 H new ATOM 0 HZ2 LYS A 28 -6.402 -2.490 -18.868 1.00 44.24 H new ATOM 0 HZ3 LYS A 28 -7.216 -1.304 -17.965 1.00 44.24 H new ATOM 414 N VAL A 29 -1.799 -0.862 -14.154 1.00 25.14 N ATOM 415 CA VAL A 29 -1.492 0.519 -13.763 1.00 14.53 C ATOM 416 C VAL A 29 -1.415 1.452 -14.982 1.00 21.44 C ATOM 417 O VAL A 29 -1.080 1.023 -16.088 1.00 0.12 O ATOM 418 CB VAL A 29 -0.153 0.583 -12.983 1.00 25.42 C ATOM 419 CG1 VAL A 29 1.019 0.198 -13.883 1.00 5.05 C ATOM 420 CG2 VAL A 29 0.058 1.963 -12.358 1.00 33.51 C ATOM 0 H VAL A 29 -0.981 -1.418 -14.402 1.00 25.14 H new ATOM 0 HA VAL A 29 -2.305 0.857 -13.120 1.00 14.53 H new ATOM 0 HB VAL A 29 -0.203 -0.141 -12.170 1.00 25.42 H new ATOM 0 HG11 VAL A 29 1.947 0.250 -13.314 1.00 5.05 H new ATOM 0 HG12 VAL A 29 0.876 -0.818 -14.252 1.00 5.05 H new ATOM 0 HG13 VAL A 29 1.071 0.886 -14.727 1.00 5.05 H new ATOM 0 HG21 VAL A 29 1.005 1.977 -11.818 1.00 33.51 H new ATOM 0 HG22 VAL A 29 0.077 2.719 -13.143 1.00 33.51 H new ATOM 0 HG23 VAL A 29 -0.757 2.178 -11.667 1.00 33.51 H new ATOM 430 N ALA A 30 -1.728 2.729 -14.772 1.00 13.21 N ATOM 431 CA ALA A 30 -1.652 3.736 -15.837 1.00 12.42 C ATOM 432 C ALA A 30 -0.196 4.077 -16.206 1.00 12.01 C ATOM 433 O ALA A 30 0.110 4.344 -17.369 1.00 24.21 O ATOM 434 CB ALA A 30 -2.397 4.998 -15.416 1.00 52.13 C ATOM 0 H ALA A 30 -2.038 3.095 -13.872 1.00 13.21 H new ATOM 0 HA ALA A 30 -2.123 3.313 -16.724 1.00 12.42 H new ATOM 0 HB1 ALA A 30 -2.335 5.740 -16.212 1.00 52.13 H new ATOM 0 HB2 ALA A 30 -3.443 4.757 -15.225 1.00 52.13 H new ATOM 0 HB3 ALA A 30 -1.946 5.401 -14.509 1.00 52.13 H new ATOM 440 N GLN A 31 0.691 4.079 -15.205 1.00 11.02 N ATOM 441 CA GLN A 31 2.115 4.399 -15.414 1.00 52.21 C ATOM 442 C GLN A 31 3.012 3.288 -14.839 1.00 20.44 C ATOM 443 O GLN A 31 2.799 2.831 -13.717 1.00 12.34 O ATOM 444 CB GLN A 31 2.472 5.742 -14.743 1.00 11.34 C ATOM 445 CG GLN A 31 1.509 6.885 -15.063 1.00 52.04 C ATOM 446 CD GLN A 31 1.388 7.177 -16.549 1.00 14.22 C ATOM 447 OE1 GLN A 31 2.325 6.983 -17.319 1.00 44.25 O ATOM 448 NE2 GLN A 31 0.233 7.655 -16.962 1.00 44.12 N ATOM 0 H GLN A 31 0.451 3.862 -14.238 1.00 11.02 H new ATOM 0 HA GLN A 31 2.286 4.476 -16.488 1.00 52.21 H new ATOM 0 HB2 GLN A 31 2.499 5.598 -13.663 1.00 11.34 H new ATOM 0 HB3 GLN A 31 3.476 6.032 -15.052 1.00 11.34 H new ATOM 0 HG2 GLN A 31 0.523 6.641 -14.667 1.00 52.04 H new ATOM 0 HG3 GLN A 31 1.844 7.786 -14.550 1.00 52.04 H new ATOM 0 HE21 GLN A 31 -0.525 7.804 -16.296 1.00 44.12 H new ATOM 0 HE22 GLN A 31 0.096 7.876 -17.948 1.00 44.12 H new ATOM 457 N ALA A 32 4.025 2.875 -15.598 1.00 43.05 N ATOM 458 CA ALA A 32 4.939 1.796 -15.166 1.00 14.10 C ATOM 459 C ALA A 32 6.402 2.262 -15.173 1.00 63.12 C ATOM 460 O ALA A 32 7.330 1.469 -14.994 1.00 44.40 O ATOM 461 CB ALA A 32 4.768 0.574 -16.063 1.00 30.54 C ATOM 0 H ALA A 32 4.241 3.265 -16.516 1.00 43.05 H new ATOM 0 HA ALA A 32 4.681 1.527 -14.142 1.00 14.10 H new ATOM 0 HB1 ALA A 32 5.446 -0.215 -15.736 1.00 30.54 H new ATOM 0 HB2 ALA A 32 3.740 0.218 -16.001 1.00 30.54 H new ATOM 0 HB3 ALA A 32 4.996 0.845 -17.094 1.00 30.54 H new ATOM 467 N GLU A 33 6.587 3.561 -15.365 1.00 62.34 N ATOM 468 CA GLU A 33 7.917 4.162 -15.487 1.00 45.44 C ATOM 469 C GLU A 33 7.984 5.524 -14.769 1.00 74.32 C ATOM 470 O GLU A 33 9.033 5.913 -14.254 1.00 21.41 O ATOM 471 CB GLU A 33 8.300 4.313 -16.976 1.00 13.53 C ATOM 472 CG GLU A 33 7.379 5.229 -17.791 1.00 61.14 C ATOM 473 CD GLU A 33 5.936 4.733 -17.871 1.00 23.15 C ATOM 474 OE1 GLU A 33 5.607 3.972 -18.804 1.00 53.51 O ATOM 475 OE2 GLU A 33 5.128 5.097 -16.989 1.00 53.41 O ATOM 0 H GLU A 33 5.822 4.232 -15.441 1.00 62.34 H new ATOM 0 HA GLU A 33 8.634 3.498 -15.005 1.00 45.44 H new ATOM 0 HB2 GLU A 33 9.318 4.699 -17.037 1.00 13.53 H new ATOM 0 HB3 GLU A 33 8.305 3.325 -17.437 1.00 13.53 H new ATOM 0 HG2 GLU A 33 7.388 6.225 -17.349 1.00 61.14 H new ATOM 0 HG3 GLU A 33 7.778 5.325 -18.801 1.00 61.14 H new ATOM 482 N TYR A 34 6.866 6.257 -14.752 1.00 34.40 N ATOM 483 CA TYR A 34 6.770 7.511 -13.984 1.00 2.44 C ATOM 484 C TYR A 34 6.354 7.250 -12.526 1.00 71.43 C ATOM 485 O TYR A 34 6.571 8.086 -11.650 1.00 33.32 O ATOM 486 CB TYR A 34 5.757 8.467 -14.631 1.00 4.23 C ATOM 487 CG TYR A 34 6.113 8.896 -16.041 1.00 33.34 C ATOM 488 CD1 TYR A 34 5.694 8.154 -17.136 1.00 61.14 C ATOM 489 CD2 TYR A 34 6.864 10.043 -16.276 1.00 33.34 C ATOM 490 CE1 TYR A 34 6.010 8.536 -18.423 1.00 72.03 C ATOM 491 CE2 TYR A 34 7.183 10.435 -17.562 1.00 62.22 C ATOM 492 CZ TYR A 34 6.754 9.679 -18.633 1.00 1.21 C ATOM 493 OH TYR A 34 7.072 10.065 -19.918 1.00 23.01 O ATOM 0 H TYR A 34 6.016 6.008 -15.258 1.00 34.40 H new ATOM 0 HA TYR A 34 7.760 7.967 -13.990 1.00 2.44 H new ATOM 0 HB2 TYR A 34 4.780 7.985 -14.647 1.00 4.23 H new ATOM 0 HB3 TYR A 34 5.664 9.355 -14.006 1.00 4.23 H new ATOM 0 HD1 TYR A 34 5.109 7.260 -16.977 1.00 61.14 H new ATOM 0 HD2 TYR A 34 7.203 10.637 -15.440 1.00 33.34 H new ATOM 0 HE1 TYR A 34 5.677 7.944 -19.262 1.00 72.03 H new ATOM 0 HE2 TYR A 34 7.766 11.329 -17.728 1.00 62.22 H new ATOM 0 HH TYR A 34 7.599 10.891 -19.891 1.00 23.01 H new ATOM 503 N VAL A 35 5.765 6.083 -12.274 1.00 72.03 N ATOM 504 CA VAL A 35 5.201 5.761 -10.958 1.00 53.11 C ATOM 505 C VAL A 35 6.281 5.590 -9.871 1.00 1.14 C ATOM 506 O VAL A 35 7.222 4.810 -10.019 1.00 2.44 O ATOM 507 CB VAL A 35 4.326 4.481 -11.020 1.00 31.14 C ATOM 508 CG1 VAL A 35 5.132 3.281 -11.520 1.00 70.31 C ATOM 509 CG2 VAL A 35 3.694 4.195 -9.658 1.00 11.10 C ATOM 0 H VAL A 35 5.664 5.339 -12.965 1.00 72.03 H new ATOM 0 HA VAL A 35 4.581 6.614 -10.682 1.00 53.11 H new ATOM 0 HB VAL A 35 3.523 4.655 -11.736 1.00 31.14 H new ATOM 0 HG11 VAL A 35 4.491 2.400 -11.552 1.00 70.31 H new ATOM 0 HG12 VAL A 35 5.513 3.489 -12.520 1.00 70.31 H new ATOM 0 HG13 VAL A 35 5.968 3.097 -10.845 1.00 70.31 H new ATOM 0 HG21 VAL A 35 3.084 3.294 -9.722 1.00 11.10 H new ATOM 0 HG22 VAL A 35 4.479 4.050 -8.916 1.00 11.10 H new ATOM 0 HG23 VAL A 35 3.067 5.037 -9.364 1.00 11.10 H new ATOM 519 N THR A 36 6.133 6.332 -8.773 1.00 41.12 N ATOM 520 CA THR A 36 7.018 6.179 -7.614 1.00 52.31 C ATOM 521 C THR A 36 6.323 5.383 -6.502 1.00 74.31 C ATOM 522 O THR A 36 5.504 5.921 -5.754 1.00 11.32 O ATOM 523 CB THR A 36 7.481 7.544 -7.035 1.00 64.51 C ATOM 524 OG1 THR A 36 8.169 8.310 -8.036 1.00 43.55 O ATOM 525 CG2 THR A 36 8.403 7.350 -5.831 1.00 53.50 C ATOM 0 H THR A 36 5.411 7.044 -8.660 1.00 41.12 H new ATOM 0 HA THR A 36 7.897 5.641 -7.970 1.00 52.31 H new ATOM 0 HB THR A 36 6.589 8.081 -6.714 1.00 64.51 H new ATOM 0 HG1 THR A 36 7.530 8.888 -8.503 1.00 43.55 H new ATOM 0 HG21 THR A 36 8.710 8.323 -5.448 1.00 53.50 H new ATOM 0 HG22 THR A 36 7.873 6.804 -5.051 1.00 53.50 H new ATOM 0 HG23 THR A 36 9.284 6.785 -6.135 1.00 53.50 H new ATOM 533 N VAL A 37 6.624 4.089 -6.420 1.00 20.42 N ATOM 534 CA VAL A 37 6.092 3.237 -5.350 1.00 72.32 C ATOM 535 C VAL A 37 7.159 2.956 -4.277 1.00 3.11 C ATOM 536 O VAL A 37 7.992 2.060 -4.418 1.00 54.40 O ATOM 537 CB VAL A 37 5.534 1.899 -5.907 1.00 14.01 C ATOM 538 CG1 VAL A 37 4.244 2.133 -6.687 1.00 61.54 C ATOM 539 CG2 VAL A 37 6.565 1.204 -6.795 1.00 72.23 C ATOM 0 H VAL A 37 7.233 3.604 -7.079 1.00 20.42 H new ATOM 0 HA VAL A 37 5.270 3.784 -4.889 1.00 72.32 H new ATOM 0 HB VAL A 37 5.316 1.251 -5.058 1.00 14.01 H new ATOM 0 HG11 VAL A 37 3.871 1.182 -7.068 1.00 61.54 H new ATOM 0 HG12 VAL A 37 3.497 2.578 -6.030 1.00 61.54 H new ATOM 0 HG13 VAL A 37 4.440 2.806 -7.522 1.00 61.54 H new ATOM 0 HG21 VAL A 37 6.149 0.270 -7.172 1.00 72.23 H new ATOM 0 HG22 VAL A 37 6.819 1.853 -7.633 1.00 72.23 H new ATOM 0 HG23 VAL A 37 7.463 0.993 -6.214 1.00 72.23 H new ATOM 549 N GLU A 38 7.143 3.745 -3.207 1.00 45.30 N ATOM 550 CA GLU A 38 8.116 3.583 -2.125 1.00 21.45 C ATOM 551 C GLU A 38 7.549 2.718 -0.989 1.00 5.35 C ATOM 552 O GLU A 38 6.851 3.202 -0.101 1.00 73.11 O ATOM 553 CB GLU A 38 8.590 4.954 -1.603 1.00 24.35 C ATOM 554 CG GLU A 38 7.471 5.911 -1.199 1.00 22.03 C ATOM 555 CD GLU A 38 8.003 7.255 -0.721 1.00 52.54 C ATOM 556 OE1 GLU A 38 8.436 8.062 -1.569 1.00 42.10 O ATOM 557 OE2 GLU A 38 8.002 7.511 0.503 1.00 73.44 O ATOM 0 H GLU A 38 6.472 4.500 -3.064 1.00 45.30 H new ATOM 0 HA GLU A 38 8.983 3.061 -2.530 1.00 21.45 H new ATOM 0 HB2 GLU A 38 9.239 4.794 -0.742 1.00 24.35 H new ATOM 0 HB3 GLU A 38 9.195 5.431 -2.374 1.00 24.35 H new ATOM 0 HG2 GLU A 38 6.806 6.068 -2.048 1.00 22.03 H new ATOM 0 HG3 GLU A 38 6.876 5.456 -0.407 1.00 22.03 H new ATOM 564 N LEU A 39 7.836 1.421 -1.038 1.00 14.14 N ATOM 565 CA LEU A 39 7.345 0.486 -0.018 1.00 1.31 C ATOM 566 C LEU A 39 8.004 0.729 1.354 1.00 13.42 C ATOM 567 O LEU A 39 9.212 0.566 1.522 1.00 51.24 O ATOM 568 CB LEU A 39 7.511 -0.982 -0.484 1.00 43.21 C ATOM 569 CG LEU A 39 8.712 -1.288 -1.408 1.00 0.45 C ATOM 570 CD1 LEU A 39 10.043 -1.163 -0.671 1.00 64.14 C ATOM 571 CD2 LEU A 39 8.571 -2.678 -2.032 1.00 35.11 C ATOM 0 H LEU A 39 8.403 0.990 -1.768 1.00 14.14 H new ATOM 0 HA LEU A 39 6.279 0.674 0.111 1.00 1.31 H new ATOM 0 HB2 LEU A 39 7.594 -1.612 0.401 1.00 43.21 H new ATOM 0 HB3 LEU A 39 6.599 -1.279 -1.002 1.00 43.21 H new ATOM 0 HG LEU A 39 8.709 -0.544 -2.204 1.00 0.45 H new ATOM 0 HD11 LEU A 39 10.861 -1.386 -1.356 1.00 64.14 H new ATOM 0 HD12 LEU A 39 10.155 -0.147 -0.291 1.00 64.14 H new ATOM 0 HD13 LEU A 39 10.065 -1.866 0.162 1.00 64.14 H new ATOM 0 HD21 LEU A 39 9.426 -2.875 -2.679 1.00 35.11 H new ATOM 0 HD22 LEU A 39 8.533 -3.429 -1.243 1.00 35.11 H new ATOM 0 HD23 LEU A 39 7.654 -2.722 -2.619 1.00 35.11 H new ATOM 583 N ASN A 40 7.187 1.140 2.330 1.00 13.13 N ATOM 584 CA ASN A 40 7.659 1.435 3.690 1.00 33.41 C ATOM 585 C ASN A 40 8.730 2.544 3.695 1.00 11.44 C ATOM 586 O ASN A 40 9.694 2.491 4.465 1.00 3.13 O ATOM 587 CB ASN A 40 8.209 0.160 4.350 1.00 3.50 C ATOM 588 CG ASN A 40 7.185 -0.959 4.389 1.00 50.51 C ATOM 589 OD1 ASN A 40 6.411 -1.085 5.334 1.00 34.30 O ATOM 590 ND2 ASN A 40 7.176 -1.788 3.366 1.00 50.40 N ATOM 0 H ASN A 40 6.184 1.277 2.202 1.00 13.13 H new ATOM 0 HA ASN A 40 6.807 1.797 4.265 1.00 33.41 H new ATOM 0 HB2 ASN A 40 9.091 -0.177 3.805 1.00 3.50 H new ATOM 0 HB3 ASN A 40 8.531 0.390 5.366 1.00 3.50 H new ATOM 0 HD21 ASN A 40 6.513 -2.563 3.343 1.00 50.40 H new ATOM 0 HD22 ASN A 40 7.832 -1.656 2.597 1.00 50.40 H new ATOM 597 N GLY A 41 8.539 3.563 2.856 1.00 74.13 N ATOM 598 CA GLY A 41 9.513 4.646 2.753 1.00 75.02 C ATOM 599 C GLY A 41 10.823 4.216 2.099 1.00 63.35 C ATOM 600 O GLY A 41 11.908 4.491 2.615 1.00 22.23 O ATOM 0 H GLY A 41 7.728 3.660 2.245 1.00 74.13 H new ATOM 0 HA2 GLY A 41 9.078 5.463 2.178 1.00 75.02 H new ATOM 0 HA3 GLY A 41 9.722 5.034 3.750 1.00 75.02 H new ATOM 604 N GLU A 42 10.718 3.540 0.961 1.00 60.05 N ATOM 605 CA GLU A 42 11.892 3.052 0.231 1.00 11.44 C ATOM 606 C GLU A 42 11.600 2.975 -1.276 1.00 34.55 C ATOM 607 O GLU A 42 10.829 2.127 -1.730 1.00 41.32 O ATOM 608 CB GLU A 42 12.308 1.682 0.779 1.00 62.42 C ATOM 609 CG GLU A 42 13.519 1.066 0.090 1.00 14.52 C ATOM 610 CD GLU A 42 13.984 -0.201 0.785 1.00 31.22 C ATOM 611 OE1 GLU A 42 13.325 -1.250 0.623 1.00 54.43 O ATOM 612 OE2 GLU A 42 14.993 -0.145 1.522 1.00 60.35 O ATOM 0 H GLU A 42 9.828 3.314 0.518 1.00 60.05 H new ATOM 0 HA GLU A 42 12.716 3.751 0.374 1.00 11.44 H new ATOM 0 HB2 GLU A 42 12.523 1.781 1.843 1.00 62.42 H new ATOM 0 HB3 GLU A 42 11.466 0.997 0.686 1.00 62.42 H new ATOM 0 HG2 GLU A 42 13.271 0.841 -0.947 1.00 14.52 H new ATOM 0 HG3 GLU A 42 14.334 1.790 0.072 1.00 14.52 H new ATOM 619 N VAL A 43 12.204 3.880 -2.043 1.00 54.25 N ATOM 620 CA VAL A 43 11.915 4.009 -3.475 1.00 54.11 C ATOM 621 C VAL A 43 12.757 3.052 -4.336 1.00 23.01 C ATOM 622 O VAL A 43 13.961 2.888 -4.122 1.00 1.14 O ATOM 623 CB VAL A 43 12.131 5.468 -3.958 1.00 22.43 C ATOM 624 CG1 VAL A 43 13.571 5.920 -3.718 1.00 32.15 C ATOM 625 CG2 VAL A 43 11.750 5.618 -5.433 1.00 23.02 C ATOM 0 H VAL A 43 12.901 4.540 -1.697 1.00 54.25 H new ATOM 0 HA VAL A 43 10.867 3.736 -3.600 1.00 54.11 H new ATOM 0 HB VAL A 43 11.476 6.114 -3.373 1.00 22.43 H new ATOM 0 HG11 VAL A 43 13.693 6.946 -4.066 1.00 32.15 H new ATOM 0 HG12 VAL A 43 13.796 5.869 -2.653 1.00 32.15 H new ATOM 0 HG13 VAL A 43 14.253 5.268 -4.264 1.00 32.15 H new ATOM 0 HG21 VAL A 43 11.910 6.649 -5.747 1.00 23.02 H new ATOM 0 HG22 VAL A 43 12.368 4.954 -6.038 1.00 23.02 H new ATOM 0 HG23 VAL A 43 10.700 5.357 -5.566 1.00 23.02 H new ATOM 635 N LEU A 44 12.108 2.419 -5.311 1.00 1.14 N ATOM 636 CA LEU A 44 12.791 1.521 -6.248 1.00 64.50 C ATOM 637 C LEU A 44 13.032 2.219 -7.597 1.00 74.13 C ATOM 638 O LEU A 44 12.297 3.132 -7.978 1.00 43.12 O ATOM 639 CB LEU A 44 11.970 0.235 -6.475 1.00 41.03 C ATOM 640 CG LEU A 44 11.742 -0.662 -5.242 1.00 0.33 C ATOM 641 CD1 LEU A 44 13.060 -0.959 -4.531 1.00 21.14 C ATOM 642 CD2 LEU A 44 10.731 -0.035 -4.282 1.00 23.51 C ATOM 0 H LEU A 44 11.105 2.510 -5.475 1.00 1.14 H new ATOM 0 HA LEU A 44 13.752 1.255 -5.808 1.00 64.50 H new ATOM 0 HB2 LEU A 44 10.997 0.518 -6.876 1.00 41.03 H new ATOM 0 HB3 LEU A 44 12.470 -0.358 -7.241 1.00 41.03 H new ATOM 0 HG LEU A 44 11.327 -1.608 -5.591 1.00 0.33 H new ATOM 0 HD11 LEU A 44 12.871 -1.593 -3.665 1.00 21.14 H new ATOM 0 HD12 LEU A 44 13.735 -1.472 -5.216 1.00 21.14 H new ATOM 0 HD13 LEU A 44 13.516 -0.024 -4.204 1.00 21.14 H new ATOM 0 HD21 LEU A 44 10.591 -0.690 -3.422 1.00 23.51 H new ATOM 0 HD22 LEU A 44 11.102 0.933 -3.944 1.00 23.51 H new ATOM 0 HD23 LEU A 44 9.778 0.100 -4.794 1.00 23.51 H new ATOM 654 N GLU A 45 14.078 1.795 -8.303 1.00 65.24 N ATOM 655 CA GLU A 45 14.367 2.303 -9.651 1.00 53.13 C ATOM 656 C GLU A 45 13.316 1.845 -10.676 1.00 13.30 C ATOM 657 O GLU A 45 12.502 0.960 -10.406 1.00 52.25 O ATOM 658 CB GLU A 45 15.733 1.808 -10.131 1.00 4.12 C ATOM 659 CG GLU A 45 16.918 2.255 -9.294 1.00 74.54 C ATOM 660 CD GLU A 45 18.220 1.704 -9.851 1.00 35.24 C ATOM 661 OE1 GLU A 45 18.673 2.196 -10.904 1.00 63.11 O ATOM 662 OE2 GLU A 45 18.772 0.756 -9.263 1.00 23.31 O ATOM 0 H GLU A 45 14.744 1.099 -7.967 1.00 65.24 H new ATOM 0 HA GLU A 45 14.353 3.391 -9.580 1.00 53.13 H new ATOM 0 HB2 GLU A 45 15.718 0.718 -10.156 1.00 4.12 H new ATOM 0 HB3 GLU A 45 15.884 2.148 -11.155 1.00 4.12 H new ATOM 0 HG2 GLU A 45 16.961 3.344 -9.271 1.00 74.54 H new ATOM 0 HG3 GLU A 45 16.788 1.919 -8.265 1.00 74.54 H new ATOM 669 N ARG A 46 13.373 2.433 -11.868 1.00 3.11 N ATOM 670 CA ARG A 46 12.542 2.002 -12.997 1.00 54.52 C ATOM 671 C ARG A 46 12.814 0.521 -13.332 1.00 61.11 C ATOM 672 O ARG A 46 11.909 -0.224 -13.716 1.00 31.24 O ATOM 673 CB ARG A 46 12.833 2.897 -14.215 1.00 3.00 C ATOM 674 CG ARG A 46 11.935 2.635 -15.424 1.00 13.25 C ATOM 675 CD ARG A 46 12.229 3.602 -16.570 1.00 41.32 C ATOM 676 NE ARG A 46 12.039 4.998 -16.171 1.00 24.00 N ATOM 677 CZ ARG A 46 11.563 5.937 -16.946 1.00 30.34 C ATOM 678 NH1 ARG A 46 11.241 5.683 -18.175 1.00 72.15 N ATOM 679 NH2 ARG A 46 11.427 7.138 -16.495 1.00 53.00 N ATOM 0 H ARG A 46 13.991 3.216 -12.081 1.00 3.11 H new ATOM 0 HA ARG A 46 11.490 2.098 -12.728 1.00 54.52 H new ATOM 0 HB2 ARG A 46 12.725 3.940 -13.917 1.00 3.00 H new ATOM 0 HB3 ARG A 46 13.872 2.757 -14.513 1.00 3.00 H new ATOM 0 HG2 ARG A 46 12.078 1.610 -15.767 1.00 13.25 H new ATOM 0 HG3 ARG A 46 10.890 2.729 -15.128 1.00 13.25 H new ATOM 0 HD2 ARG A 46 13.254 3.459 -16.912 1.00 41.32 H new ATOM 0 HD3 ARG A 46 11.577 3.374 -17.413 1.00 41.32 H new ATOM 0 HE ARG A 46 12.297 5.257 -15.219 1.00 24.00 H new ATOM 0 HH11 ARG A 46 11.358 4.741 -18.549 1.00 72.15 H new ATOM 0 HH12 ARG A 46 10.871 6.425 -18.769 1.00 72.15 H new ATOM 0 HH21 ARG A 46 11.691 7.355 -15.534 1.00 53.00 H new ATOM 0 HH22 ARG A 46 11.056 7.871 -17.100 1.00 53.00 H new ATOM 693 N GLU A 47 14.075 0.114 -13.181 1.00 2.33 N ATOM 694 CA GLU A 47 14.488 -1.288 -13.357 1.00 74.40 C ATOM 695 C GLU A 47 14.180 -2.128 -12.101 1.00 13.52 C ATOM 696 O GLU A 47 13.693 -3.259 -12.193 1.00 64.02 O ATOM 697 CB GLU A 47 15.996 -1.340 -13.659 1.00 53.34 C ATOM 698 CG GLU A 47 16.568 -2.747 -13.833 1.00 72.25 C ATOM 699 CD GLU A 47 16.010 -3.471 -15.046 1.00 41.20 C ATOM 700 OE1 GLU A 47 16.306 -3.050 -16.183 1.00 24.34 O ATOM 701 OE2 GLU A 47 15.272 -4.466 -14.871 1.00 63.41 O ATOM 0 H GLU A 47 14.840 0.741 -12.934 1.00 2.33 H new ATOM 0 HA GLU A 47 13.924 -1.710 -14.189 1.00 74.40 H new ATOM 0 HB2 GLU A 47 16.190 -0.770 -14.567 1.00 53.34 H new ATOM 0 HB3 GLU A 47 16.531 -0.843 -12.850 1.00 53.34 H new ATOM 0 HG2 GLU A 47 17.652 -2.683 -13.922 1.00 72.25 H new ATOM 0 HG3 GLU A 47 16.356 -3.332 -12.938 1.00 72.25 H new ATOM 708 N ALA A 48 14.451 -1.552 -10.927 1.00 20.23 N ATOM 709 CA ALA A 48 14.299 -2.255 -9.642 1.00 43.30 C ATOM 710 C ALA A 48 12.881 -2.803 -9.419 1.00 63.32 C ATOM 711 O ALA A 48 12.686 -3.712 -8.609 1.00 45.14 O ATOM 712 CB ALA A 48 14.690 -1.334 -8.496 1.00 43.43 C ATOM 0 H ALA A 48 14.780 -0.591 -10.836 1.00 20.23 H new ATOM 0 HA ALA A 48 14.966 -3.116 -9.673 1.00 43.30 H new ATOM 0 HB1 ALA A 48 14.575 -1.862 -7.549 1.00 43.43 H new ATOM 0 HB2 ALA A 48 15.729 -1.026 -8.615 1.00 43.43 H new ATOM 0 HB3 ALA A 48 14.047 -0.454 -8.501 1.00 43.43 H new ATOM 718 N PHE A 49 11.893 -2.254 -10.126 1.00 51.41 N ATOM 719 CA PHE A 49 10.519 -2.770 -10.051 1.00 41.04 C ATOM 720 C PHE A 49 10.469 -4.271 -10.400 1.00 25.45 C ATOM 721 O PHE A 49 9.670 -5.027 -9.843 1.00 15.11 O ATOM 722 CB PHE A 49 9.592 -1.979 -10.986 1.00 31.11 C ATOM 723 CG PHE A 49 9.479 -0.511 -10.646 1.00 5.15 C ATOM 724 CD1 PHE A 49 9.418 -0.089 -9.325 1.00 24.40 C ATOM 725 CD2 PHE A 49 9.419 0.446 -11.651 1.00 63.21 C ATOM 726 CE1 PHE A 49 9.303 1.253 -9.014 1.00 53.04 C ATOM 727 CE2 PHE A 49 9.305 1.790 -11.344 1.00 44.15 C ATOM 728 CZ PHE A 49 9.246 2.193 -10.024 1.00 25.14 C ATOM 0 H PHE A 49 12.013 -1.459 -10.753 1.00 51.41 H new ATOM 0 HA PHE A 49 10.173 -2.646 -9.025 1.00 41.04 H new ATOM 0 HB2 PHE A 49 9.956 -2.077 -12.009 1.00 31.11 H new ATOM 0 HB3 PHE A 49 8.598 -2.425 -10.957 1.00 31.11 H new ATOM 0 HD1 PHE A 49 9.461 -0.819 -8.530 1.00 24.40 H new ATOM 0 HD2 PHE A 49 9.462 0.137 -12.685 1.00 63.21 H new ATOM 0 HE1 PHE A 49 9.258 1.566 -7.981 1.00 53.04 H new ATOM 0 HE2 PHE A 49 9.262 2.524 -12.136 1.00 44.15 H new ATOM 0 HZ PHE A 49 9.155 3.242 -9.782 1.00 25.14 H new ATOM 738 N ASP A 50 11.333 -4.693 -11.321 1.00 71.12 N ATOM 739 CA ASP A 50 11.462 -6.111 -11.678 1.00 43.33 C ATOM 740 C ASP A 50 12.354 -6.860 -10.669 1.00 55.35 C ATOM 741 O ASP A 50 12.135 -8.036 -10.384 1.00 60.33 O ATOM 742 CB ASP A 50 12.034 -6.238 -13.098 1.00 21.14 C ATOM 743 CG ASP A 50 12.368 -7.673 -13.471 1.00 63.23 C ATOM 744 OD1 ASP A 50 11.449 -8.430 -13.849 1.00 12.51 O ATOM 745 OD2 ASP A 50 13.551 -8.056 -13.379 1.00 73.03 O ATOM 0 H ASP A 50 11.958 -4.074 -11.837 1.00 71.12 H new ATOM 0 HA ASP A 50 10.472 -6.566 -11.648 1.00 43.33 H new ATOM 0 HB2 ASP A 50 11.313 -5.840 -13.812 1.00 21.14 H new ATOM 0 HB3 ASP A 50 12.933 -5.627 -13.179 1.00 21.14 H new ATOM 750 N ALA A 51 13.342 -6.163 -10.121 1.00 45.52 N ATOM 751 CA ALA A 51 14.309 -6.772 -9.193 1.00 21.21 C ATOM 752 C ALA A 51 13.756 -6.900 -7.760 1.00 75.41 C ATOM 753 O ALA A 51 14.370 -7.540 -6.905 1.00 71.23 O ATOM 754 CB ALA A 51 15.597 -5.955 -9.191 1.00 74.42 C ATOM 0 H ALA A 51 13.502 -5.171 -10.299 1.00 45.52 H new ATOM 0 HA ALA A 51 14.509 -7.784 -9.544 1.00 21.21 H new ATOM 0 HB1 ALA A 51 16.313 -6.406 -8.504 1.00 74.42 H new ATOM 0 HB2 ALA A 51 16.019 -5.939 -10.196 1.00 74.42 H new ATOM 0 HB3 ALA A 51 15.381 -4.935 -8.872 1.00 74.42 H new ATOM 760 N THR A 52 12.600 -6.290 -7.502 1.00 75.21 N ATOM 761 CA THR A 52 11.991 -6.311 -6.159 1.00 41.53 C ATOM 762 C THR A 52 10.676 -7.111 -6.140 1.00 44.01 C ATOM 763 O THR A 52 9.718 -6.765 -6.833 1.00 5.11 O ATOM 764 CB THR A 52 11.714 -4.873 -5.645 1.00 1.13 C ATOM 765 OG1 THR A 52 12.923 -4.095 -5.677 1.00 32.43 O ATOM 766 CG2 THR A 52 11.155 -4.892 -4.221 1.00 74.40 C ATOM 0 H THR A 52 12.062 -5.775 -8.199 1.00 75.21 H new ATOM 0 HA THR A 52 12.710 -6.799 -5.501 1.00 41.53 H new ATOM 0 HB THR A 52 10.971 -4.421 -6.301 1.00 1.13 H new ATOM 0 HG1 THR A 52 13.115 -3.826 -6.600 1.00 32.43 H new ATOM 0 HG21 THR A 52 10.971 -3.870 -3.889 1.00 74.40 H new ATOM 0 HG22 THR A 52 10.220 -5.453 -4.204 1.00 74.40 H new ATOM 0 HG23 THR A 52 11.875 -5.367 -3.554 1.00 74.40 H new ATOM 774 N THR A 53 10.634 -8.177 -5.337 1.00 13.43 N ATOM 775 CA THR A 53 9.434 -9.027 -5.224 1.00 71.34 C ATOM 776 C THR A 53 8.556 -8.640 -4.026 1.00 23.11 C ATOM 777 O THR A 53 9.013 -8.600 -2.884 1.00 71.22 O ATOM 778 CB THR A 53 9.806 -10.526 -5.105 1.00 4.12 C ATOM 779 OG1 THR A 53 10.488 -10.958 -6.293 1.00 62.52 O ATOM 780 CG2 THR A 53 8.571 -11.398 -4.885 1.00 3.11 C ATOM 0 H THR A 53 11.415 -8.477 -4.753 1.00 13.43 H new ATOM 0 HA THR A 53 8.868 -8.863 -6.141 1.00 71.34 H new ATOM 0 HB THR A 53 10.459 -10.636 -4.239 1.00 4.12 H new ATOM 0 HG1 THR A 53 10.076 -10.539 -7.077 1.00 62.52 H new ATOM 0 HG21 THR A 53 8.872 -12.443 -4.806 1.00 3.11 H new ATOM 0 HG22 THR A 53 8.071 -11.095 -3.965 1.00 3.11 H new ATOM 0 HG23 THR A 53 7.888 -11.280 -5.726 1.00 3.11 H new ATOM 788 N VAL A 54 7.288 -8.360 -4.303 1.00 41.41 N ATOM 789 CA VAL A 54 6.295 -8.049 -3.270 1.00 74.43 C ATOM 790 C VAL A 54 5.394 -9.270 -2.987 1.00 22.12 C ATOM 791 O VAL A 54 5.178 -10.110 -3.864 1.00 2.22 O ATOM 792 CB VAL A 54 5.408 -6.852 -3.708 1.00 30.03 C ATOM 793 CG1 VAL A 54 4.406 -6.472 -2.616 1.00 64.32 C ATOM 794 CG2 VAL A 54 6.272 -5.650 -4.092 1.00 1.31 C ATOM 0 H VAL A 54 6.914 -8.341 -5.252 1.00 41.41 H new ATOM 0 HA VAL A 54 6.836 -7.786 -2.361 1.00 74.43 H new ATOM 0 HB VAL A 54 4.841 -7.163 -4.586 1.00 30.03 H new ATOM 0 HG11 VAL A 54 3.801 -5.631 -2.954 1.00 64.32 H new ATOM 0 HG12 VAL A 54 3.759 -7.323 -2.404 1.00 64.32 H new ATOM 0 HG13 VAL A 54 4.944 -6.191 -1.711 1.00 64.32 H new ATOM 0 HG21 VAL A 54 5.630 -4.823 -4.396 1.00 1.31 H new ATOM 0 HG22 VAL A 54 6.874 -5.347 -3.236 1.00 1.31 H new ATOM 0 HG23 VAL A 54 6.928 -5.923 -4.919 1.00 1.31 H new ATOM 804 N LYS A 55 4.873 -9.368 -1.762 1.00 30.32 N ATOM 805 CA LYS A 55 3.954 -10.455 -1.395 1.00 74.35 C ATOM 806 C LYS A 55 2.921 -9.996 -0.353 1.00 15.25 C ATOM 807 O LYS A 55 2.901 -8.830 0.047 1.00 40.13 O ATOM 808 CB LYS A 55 4.737 -11.683 -0.896 1.00 45.33 C ATOM 809 CG LYS A 55 5.703 -11.401 0.251 1.00 12.24 C ATOM 810 CD LYS A 55 6.411 -12.676 0.715 1.00 32.13 C ATOM 811 CE LYS A 55 7.141 -13.374 -0.432 1.00 2.20 C ATOM 812 NZ LYS A 55 7.756 -14.660 -0.009 1.00 1.13 N ATOM 0 H LYS A 55 5.069 -8.711 -1.007 1.00 30.32 H new ATOM 0 HA LYS A 55 3.404 -10.741 -2.291 1.00 74.35 H new ATOM 0 HB2 LYS A 55 4.026 -12.444 -0.575 1.00 45.33 H new ATOM 0 HB3 LYS A 55 5.298 -12.103 -1.731 1.00 45.33 H new ATOM 0 HG2 LYS A 55 6.444 -10.668 -0.068 1.00 12.24 H new ATOM 0 HG3 LYS A 55 5.159 -10.961 1.087 1.00 12.24 H new ATOM 0 HD2 LYS A 55 7.124 -12.429 1.502 1.00 32.13 H new ATOM 0 HD3 LYS A 55 5.681 -13.359 1.149 1.00 32.13 H new ATOM 0 HE2 LYS A 55 6.441 -13.559 -1.246 1.00 2.20 H new ATOM 0 HE3 LYS A 55 7.916 -12.714 -0.822 1.00 2.20 H new ATOM 0 HZ1 LYS A 55 8.240 -15.097 -0.820 1.00 1.13 H new ATOM 0 HZ2 LYS A 55 8.444 -14.483 0.750 1.00 1.13 H new ATOM 0 HZ3 LYS A 55 7.015 -15.301 0.339 1.00 1.13 H new ATOM 826 N ASP A 56 2.059 -10.918 0.079 1.00 12.01 N ATOM 827 CA ASP A 56 0.954 -10.594 0.987 1.00 41.10 C ATOM 828 C ASP A 56 1.444 -9.976 2.308 1.00 15.55 C ATOM 829 O ASP A 56 2.192 -10.602 3.069 1.00 1.24 O ATOM 830 CB ASP A 56 0.127 -11.854 1.267 1.00 53.30 C ATOM 831 CG ASP A 56 -1.123 -11.563 2.076 1.00 72.51 C ATOM 832 OD1 ASP A 56 -2.111 -11.078 1.491 1.00 73.30 O ATOM 833 OD2 ASP A 56 -1.122 -11.805 3.303 1.00 34.34 O ATOM 0 H ASP A 56 2.105 -11.902 -0.187 1.00 12.01 H new ATOM 0 HA ASP A 56 0.333 -9.846 0.495 1.00 41.10 H new ATOM 0 HB2 ASP A 56 -0.156 -12.316 0.321 1.00 53.30 H new ATOM 0 HB3 ASP A 56 0.742 -12.576 1.803 1.00 53.30 H new ATOM 838 N GLY A 57 1.017 -8.745 2.574 1.00 62.24 N ATOM 839 CA GLY A 57 1.350 -8.081 3.828 1.00 43.32 C ATOM 840 C GLY A 57 2.512 -7.098 3.711 1.00 24.51 C ATOM 841 O GLY A 57 3.485 -7.188 4.467 1.00 61.04 O ATOM 0 H GLY A 57 0.442 -8.190 1.940 1.00 62.24 H new ATOM 0 HA2 GLY A 57 0.471 -7.549 4.192 1.00 43.32 H new ATOM 0 HA3 GLY A 57 1.598 -8.836 4.574 1.00 43.32 H new ATOM 845 N ASP A 58 2.409 -6.151 2.778 1.00 62.14 N ATOM 846 CA ASP A 58 3.446 -5.123 2.600 1.00 12.03 C ATOM 847 C ASP A 58 2.817 -3.744 2.336 1.00 54.15 C ATOM 848 O ASP A 58 1.693 -3.648 1.848 1.00 44.54 O ATOM 849 CB ASP A 58 4.390 -5.515 1.453 1.00 64.34 C ATOM 850 CG ASP A 58 5.549 -4.546 1.291 1.00 41.45 C ATOM 851 OD1 ASP A 58 6.110 -4.108 2.319 1.00 52.02 O ATOM 852 OD2 ASP A 58 5.899 -4.213 0.143 1.00 2.55 O ATOM 0 H ASP A 58 1.622 -6.071 2.134 1.00 62.14 H new ATOM 0 HA ASP A 58 4.024 -5.056 3.522 1.00 12.03 H new ATOM 0 HB2 ASP A 58 4.781 -6.516 1.636 1.00 64.34 H new ATOM 0 HB3 ASP A 58 3.825 -5.559 0.522 1.00 64.34 H new ATOM 857 N ALA A 59 3.544 -2.678 2.663 1.00 62.32 N ATOM 858 CA ALA A 59 3.021 -1.313 2.525 1.00 24.41 C ATOM 859 C ALA A 59 3.686 -0.547 1.372 1.00 1.30 C ATOM 860 O ALA A 59 4.642 0.205 1.578 1.00 15.32 O ATOM 861 CB ALA A 59 3.188 -0.547 3.835 1.00 45.15 C ATOM 0 H ALA A 59 4.496 -2.729 3.025 1.00 62.32 H new ATOM 0 HA ALA A 59 1.960 -1.397 2.287 1.00 24.41 H new ATOM 0 HB1 ALA A 59 2.796 0.463 3.718 1.00 45.15 H new ATOM 0 HB2 ALA A 59 2.642 -1.059 4.628 1.00 45.15 H new ATOM 0 HB3 ALA A 59 4.245 -0.498 4.096 1.00 45.15 H new ATOM 867 N VAL A 60 3.185 -0.745 0.156 1.00 64.34 N ATOM 868 CA VAL A 60 3.679 -0.001 -1.008 1.00 32.33 C ATOM 869 C VAL A 60 3.021 1.391 -1.100 1.00 51.04 C ATOM 870 O VAL A 60 1.832 1.523 -1.404 1.00 23.34 O ATOM 871 CB VAL A 60 3.465 -0.789 -2.335 1.00 41.42 C ATOM 872 CG1 VAL A 60 4.267 -2.091 -2.323 1.00 72.41 C ATOM 873 CG2 VAL A 60 1.982 -1.077 -2.587 1.00 50.53 C ATOM 0 H VAL A 60 2.441 -1.410 -0.053 1.00 64.34 H new ATOM 0 HA VAL A 60 4.752 0.130 -0.868 1.00 32.33 H new ATOM 0 HB VAL A 60 3.825 -0.162 -3.151 1.00 41.42 H new ATOM 0 HG11 VAL A 60 4.104 -2.627 -3.258 1.00 72.41 H new ATOM 0 HG12 VAL A 60 5.328 -1.864 -2.214 1.00 72.41 H new ATOM 0 HG13 VAL A 60 3.941 -2.711 -1.488 1.00 72.41 H new ATOM 0 HG21 VAL A 60 1.872 -1.628 -3.521 1.00 50.53 H new ATOM 0 HG22 VAL A 60 1.582 -1.672 -1.766 1.00 50.53 H new ATOM 0 HG23 VAL A 60 1.435 -0.137 -2.654 1.00 50.53 H new ATOM 883 N GLU A 61 3.792 2.435 -0.806 1.00 22.14 N ATOM 884 CA GLU A 61 3.277 3.806 -0.882 1.00 32.54 C ATOM 885 C GLU A 61 3.213 4.285 -2.341 1.00 45.11 C ATOM 886 O GLU A 61 4.198 4.761 -2.906 1.00 60.25 O ATOM 887 CB GLU A 61 4.127 4.751 -0.017 1.00 22.51 C ATOM 888 CG GLU A 61 4.106 4.387 1.467 1.00 62.01 C ATOM 889 CD GLU A 61 4.941 5.322 2.330 1.00 73.13 C ATOM 890 OE1 GLU A 61 4.462 6.431 2.653 1.00 64.41 O ATOM 891 OE2 GLU A 61 6.068 4.944 2.710 1.00 11.11 O ATOM 0 H GLU A 61 4.767 2.363 -0.515 1.00 22.14 H new ATOM 0 HA GLU A 61 2.261 3.816 -0.488 1.00 32.54 H new ATOM 0 HB2 GLU A 61 5.157 4.734 -0.375 1.00 22.51 H new ATOM 0 HB3 GLU A 61 3.764 5.771 -0.140 1.00 22.51 H new ATOM 0 HG2 GLU A 61 3.076 4.400 1.822 1.00 62.01 H new ATOM 0 HG3 GLU A 61 4.472 3.368 1.589 1.00 62.01 H new ATOM 898 N PHE A 62 2.046 4.099 -2.951 1.00 53.02 N ATOM 899 CA PHE A 62 1.808 4.484 -4.346 1.00 20.12 C ATOM 900 C PHE A 62 1.526 5.993 -4.446 1.00 52.11 C ATOM 901 O PHE A 62 0.383 6.429 -4.301 1.00 41.32 O ATOM 902 CB PHE A 62 0.621 3.674 -4.893 1.00 52.10 C ATOM 903 CG PHE A 62 0.489 3.666 -6.397 1.00 10.32 C ATOM 904 CD1 PHE A 62 0.028 4.783 -7.083 1.00 35.11 C ATOM 905 CD2 PHE A 62 0.818 2.529 -7.124 1.00 4.11 C ATOM 906 CE1 PHE A 62 -0.095 4.766 -8.459 1.00 60.00 C ATOM 907 CE2 PHE A 62 0.694 2.507 -8.498 1.00 21.04 C ATOM 908 CZ PHE A 62 0.237 3.627 -9.167 1.00 73.50 C ATOM 0 H PHE A 62 1.236 3.678 -2.496 1.00 53.02 H new ATOM 0 HA PHE A 62 2.696 4.269 -4.940 1.00 20.12 H new ATOM 0 HB2 PHE A 62 0.713 2.645 -4.547 1.00 52.10 H new ATOM 0 HB3 PHE A 62 -0.299 4.073 -4.465 1.00 52.10 H new ATOM 0 HD1 PHE A 62 -0.237 5.675 -6.534 1.00 35.11 H new ATOM 0 HD2 PHE A 62 1.176 1.651 -6.607 1.00 4.11 H new ATOM 0 HE1 PHE A 62 -0.450 5.642 -8.981 1.00 60.00 H new ATOM 0 HE2 PHE A 62 0.954 1.616 -9.050 1.00 21.04 H new ATOM 0 HZ PHE A 62 0.140 3.612 -10.242 1.00 73.50 H new ATOM 918 N LEU A 63 2.574 6.781 -4.669 1.00 22.11 N ATOM 919 CA LEU A 63 2.449 8.243 -4.704 1.00 40.34 C ATOM 920 C LEU A 63 1.623 8.729 -5.912 1.00 14.01 C ATOM 921 O LEU A 63 1.915 8.393 -7.061 1.00 15.54 O ATOM 922 CB LEU A 63 3.837 8.894 -4.721 1.00 71.33 C ATOM 923 CG LEU A 63 4.745 8.538 -3.533 1.00 65.04 C ATOM 924 CD1 LEU A 63 6.059 9.309 -3.608 1.00 22.02 C ATOM 925 CD2 LEU A 63 4.038 8.801 -2.205 1.00 42.52 C ATOM 0 H LEU A 63 3.521 6.436 -4.829 1.00 22.11 H new ATOM 0 HA LEU A 63 1.916 8.543 -3.802 1.00 40.34 H new ATOM 0 HB2 LEU A 63 4.343 8.607 -5.643 1.00 71.33 H new ATOM 0 HB3 LEU A 63 3.712 9.976 -4.750 1.00 71.33 H new ATOM 0 HG LEU A 63 4.970 7.473 -3.589 1.00 65.04 H new ATOM 0 HD11 LEU A 63 6.687 9.042 -2.758 1.00 22.02 H new ATOM 0 HD12 LEU A 63 6.576 9.057 -4.534 1.00 22.02 H new ATOM 0 HD13 LEU A 63 5.855 10.379 -3.586 1.00 22.02 H new ATOM 0 HD21 LEU A 63 4.703 8.541 -1.381 1.00 42.52 H new ATOM 0 HD22 LEU A 63 3.772 9.856 -2.137 1.00 42.52 H new ATOM 0 HD23 LEU A 63 3.134 8.194 -2.148 1.00 42.52 H new ATOM 937 N TYR A 64 0.609 9.552 -5.638 1.00 41.33 N ATOM 938 CA TYR A 64 -0.296 10.068 -6.679 1.00 11.34 C ATOM 939 C TYR A 64 0.199 11.409 -7.254 1.00 13.05 C ATOM 940 O TYR A 64 -0.563 12.145 -7.888 1.00 13.42 O ATOM 941 CB TYR A 64 -1.715 10.233 -6.100 1.00 43.44 C ATOM 942 CG TYR A 64 -1.790 11.153 -4.889 1.00 13.44 C ATOM 943 CD1 TYR A 64 -1.999 12.523 -5.036 1.00 72.31 C ATOM 944 CD2 TYR A 64 -1.644 10.651 -3.598 1.00 64.10 C ATOM 945 CE1 TYR A 64 -2.061 13.359 -3.938 1.00 74.04 C ATOM 946 CE2 TYR A 64 -1.705 11.483 -2.497 1.00 2.42 C ATOM 947 CZ TYR A 64 -1.913 12.834 -2.671 1.00 64.43 C ATOM 948 OH TYR A 64 -1.969 13.664 -1.573 1.00 73.54 O ATOM 0 H TYR A 64 0.389 9.880 -4.698 1.00 41.33 H new ATOM 0 HA TYR A 64 -0.314 9.346 -7.496 1.00 11.34 H new ATOM 0 HB2 TYR A 64 -2.371 10.622 -6.879 1.00 43.44 H new ATOM 0 HB3 TYR A 64 -2.098 9.251 -5.821 1.00 43.44 H new ATOM 0 HD1 TYR A 64 -2.115 12.939 -6.026 1.00 72.31 H new ATOM 0 HD2 TYR A 64 -1.480 9.593 -3.455 1.00 64.10 H new ATOM 0 HE1 TYR A 64 -2.225 14.418 -4.071 1.00 74.04 H new ATOM 0 HE2 TYR A 64 -1.590 11.076 -1.503 1.00 2.42 H new ATOM 0 HH TYR A 64 -1.847 13.135 -0.757 1.00 73.54 H new ATOM 958 N PHE A 65 1.488 11.694 -7.060 1.00 32.31 N ATOM 959 CA PHE A 65 2.100 12.974 -7.474 1.00 50.53 C ATOM 960 C PHE A 65 1.890 13.292 -8.970 1.00 42.44 C ATOM 961 O PHE A 65 2.061 14.433 -9.399 1.00 10.15 O ATOM 962 CB PHE A 65 3.602 12.965 -7.151 1.00 61.21 C ATOM 963 CG PHE A 65 4.401 11.974 -7.968 1.00 24.23 C ATOM 964 CD1 PHE A 65 4.295 10.610 -7.736 1.00 32.41 C ATOM 965 CD2 PHE A 65 5.257 12.409 -8.969 1.00 53.50 C ATOM 966 CE1 PHE A 65 5.021 9.706 -8.485 1.00 71.41 C ATOM 967 CE2 PHE A 65 5.988 11.508 -9.719 1.00 43.32 C ATOM 968 CZ PHE A 65 5.869 10.156 -9.478 1.00 41.22 C ATOM 0 H PHE A 65 2.142 11.051 -6.613 1.00 32.31 H new ATOM 0 HA PHE A 65 1.596 13.759 -6.910 1.00 50.53 H new ATOM 0 HB2 PHE A 65 4.005 13.964 -7.316 1.00 61.21 H new ATOM 0 HB3 PHE A 65 3.734 12.738 -6.093 1.00 61.21 H new ATOM 0 HD1 PHE A 65 3.636 10.251 -6.959 1.00 32.41 H new ATOM 0 HD2 PHE A 65 5.353 13.467 -9.165 1.00 53.50 H new ATOM 0 HE1 PHE A 65 4.926 8.647 -8.295 1.00 71.41 H new ATOM 0 HE2 PHE A 65 6.652 11.863 -10.493 1.00 43.32 H new ATOM 0 HZ PHE A 65 6.438 9.450 -10.065 1.00 41.22 H new ATOM 978 N MET A 66 1.530 12.282 -9.759 1.00 50.11 N ATOM 979 CA MET A 66 1.247 12.474 -11.190 1.00 64.25 C ATOM 980 C MET A 66 0.019 13.380 -11.403 1.00 22.31 C ATOM 981 O MET A 66 -0.065 14.115 -12.388 1.00 55.32 O ATOM 982 CB MET A 66 1.019 11.114 -11.871 1.00 63.23 C ATOM 983 CG MET A 66 2.245 10.198 -11.886 1.00 52.14 C ATOM 984 SD MET A 66 3.366 10.506 -13.277 1.00 32.34 S ATOM 985 CE MET A 66 4.135 12.060 -12.816 1.00 45.40 C ATOM 0 H MET A 66 1.426 11.320 -9.437 1.00 50.11 H new ATOM 0 HA MET A 66 2.111 12.964 -11.639 1.00 64.25 H new ATOM 0 HB2 MET A 66 0.203 10.600 -11.363 1.00 63.23 H new ATOM 0 HB3 MET A 66 0.697 11.286 -12.898 1.00 63.23 H new ATOM 0 HG2 MET A 66 2.794 10.325 -10.953 1.00 52.14 H new ATOM 0 HG3 MET A 66 1.912 9.161 -11.921 1.00 52.14 H new ATOM 0 HE1 MET A 66 5.161 12.081 -13.183 1.00 45.40 H new ATOM 0 HE2 MET A 66 3.576 12.887 -13.254 1.00 45.40 H new ATOM 0 HE3 MET A 66 4.136 12.157 -11.730 1.00 45.40 H new ATOM 995 N GLY A 67 -0.931 13.321 -10.466 1.00 22.12 N ATOM 996 CA GLY A 67 -2.151 14.120 -10.559 1.00 22.24 C ATOM 997 C GLY A 67 -3.405 13.256 -10.594 1.00 62.32 C ATOM 998 O GLY A 67 -4.183 13.304 -11.550 1.00 3.54 O ATOM 0 H GLY A 67 -0.877 12.729 -9.637 1.00 22.12 H new ATOM 0 HA2 GLY A 67 -2.204 14.799 -9.708 1.00 22.24 H new ATOM 0 HA3 GLY A 67 -2.112 14.736 -11.457 1.00 22.24 H new ATOM 1002 N GLY A 68 -3.600 12.458 -9.549 1.00 0.12 N ATOM 1003 CA GLY A 68 -4.727 11.537 -9.504 1.00 75.42 C ATOM 1004 C GLY A 68 -5.345 11.423 -8.115 1.00 3.24 C ATOM 1005 O GLY A 68 -4.667 11.631 -7.108 1.00 24.33 O ATOM 0 H GLY A 68 -2.996 12.431 -8.728 1.00 0.12 H new ATOM 0 HA2 GLY A 68 -5.489 11.869 -10.209 1.00 75.42 H new ATOM 0 HA3 GLY A 68 -4.397 10.551 -9.831 1.00 75.42 H new ATOM 1009 N GLY A 69 -6.635 11.095 -8.054 1.00 34.42 N ATOM 1010 CA GLY A 69 -7.314 10.951 -6.764 1.00 52.54 C ATOM 1011 C GLY A 69 -8.704 11.582 -6.726 1.00 53.01 C ATOM 1012 O GLY A 69 -9.240 11.844 -5.647 1.00 50.25 O ATOM 0 H GLY A 69 -7.225 10.926 -8.869 1.00 34.42 H new ATOM 0 HA2 GLY A 69 -7.400 9.891 -6.525 1.00 52.54 H new ATOM 0 HA3 GLY A 69 -6.698 11.404 -5.987 1.00 52.54 H new ATOM 1016 N LYS A 70 -9.293 11.832 -7.896 1.00 52.14 N ATOM 1017 CA LYS A 70 -10.657 12.373 -7.971 1.00 53.20 C ATOM 1018 C LYS A 70 -11.664 11.327 -7.462 1.00 62.22 C ATOM 1019 O LYS A 70 -12.103 10.451 -8.210 1.00 74.34 O ATOM 1020 CB LYS A 70 -10.980 12.796 -9.422 1.00 3.11 C ATOM 1021 CG LYS A 70 -12.199 13.719 -9.586 1.00 43.45 C ATOM 1022 CD LYS A 70 -13.527 13.003 -9.331 1.00 42.23 C ATOM 1023 CE LYS A 70 -14.724 13.932 -9.509 1.00 25.45 C ATOM 1024 NZ LYS A 70 -14.636 15.137 -8.642 1.00 15.52 N ATOM 0 H LYS A 70 -8.853 11.671 -8.802 1.00 52.14 H new ATOM 0 HA LYS A 70 -10.731 13.256 -7.336 1.00 53.20 H new ATOM 0 HB2 LYS A 70 -10.107 13.298 -9.839 1.00 3.11 H new ATOM 0 HB3 LYS A 70 -11.144 11.897 -10.016 1.00 3.11 H new ATOM 0 HG2 LYS A 70 -12.107 14.559 -8.898 1.00 43.45 H new ATOM 0 HG3 LYS A 70 -12.203 14.132 -10.595 1.00 43.45 H new ATOM 0 HD2 LYS A 70 -13.620 12.158 -10.014 1.00 42.23 H new ATOM 0 HD3 LYS A 70 -13.531 12.597 -8.319 1.00 42.23 H new ATOM 0 HE2 LYS A 70 -14.789 14.241 -10.552 1.00 25.45 H new ATOM 0 HE3 LYS A 70 -15.641 13.388 -9.280 1.00 25.45 H new ATOM 0 HZ1 LYS A 70 -15.587 15.396 -8.311 1.00 15.52 H new ATOM 0 HZ2 LYS A 70 -14.028 14.932 -7.823 1.00 15.52 H new ATOM 0 HZ3 LYS A 70 -14.231 15.926 -9.185 1.00 15.52 H new ATOM 1038 N LEU A 71 -12.018 11.415 -6.182 1.00 4.35 N ATOM 1039 CA LEU A 71 -12.899 10.424 -5.552 1.00 22.42 C ATOM 1040 C LEU A 71 -14.099 11.085 -4.854 1.00 64.20 C ATOM 1041 O LEU A 71 -13.951 11.763 -3.839 1.00 53.24 O ATOM 1042 CB LEU A 71 -12.106 9.580 -4.536 1.00 31.33 C ATOM 1043 CG LEU A 71 -10.939 8.763 -5.121 1.00 23.40 C ATOM 1044 CD1 LEU A 71 -10.176 8.036 -4.014 1.00 64.23 C ATOM 1045 CD2 LEU A 71 -11.443 7.770 -6.170 1.00 32.44 C ATOM 0 H LEU A 71 -11.711 12.161 -5.558 1.00 4.35 H new ATOM 0 HA LEU A 71 -13.285 9.780 -6.342 1.00 22.42 H new ATOM 0 HB2 LEU A 71 -11.712 10.244 -3.767 1.00 31.33 H new ATOM 0 HB3 LEU A 71 -12.795 8.895 -4.043 1.00 31.33 H new ATOM 0 HG LEU A 71 -10.253 9.456 -5.609 1.00 23.40 H new ATOM 0 HD11 LEU A 71 -9.356 7.466 -4.451 1.00 64.23 H new ATOM 0 HD12 LEU A 71 -9.776 8.765 -3.309 1.00 64.23 H new ATOM 0 HD13 LEU A 71 -10.851 7.359 -3.491 1.00 64.23 H new ATOM 0 HD21 LEU A 71 -10.601 7.204 -6.569 1.00 32.44 H new ATOM 0 HD22 LEU A 71 -12.155 7.085 -5.710 1.00 32.44 H new ATOM 0 HD23 LEU A 71 -11.932 8.312 -6.979 1.00 32.44 H new ATOM 1057 N GLU A 72 -15.289 10.880 -5.412 1.00 35.14 N ATOM 1058 CA GLU A 72 -16.541 11.331 -4.786 1.00 25.51 C ATOM 1059 C GLU A 72 -17.533 10.171 -4.673 1.00 34.35 C ATOM 1060 O GLU A 72 -17.248 9.049 -5.096 1.00 44.50 O ATOM 1061 CB GLU A 72 -17.194 12.461 -5.597 1.00 54.30 C ATOM 1062 CG GLU A 72 -16.397 13.756 -5.645 1.00 54.05 C ATOM 1063 CD GLU A 72 -17.148 14.867 -6.366 1.00 13.23 C ATOM 1064 OE1 GLU A 72 -17.081 14.929 -7.609 1.00 51.14 O ATOM 1065 OE2 GLU A 72 -17.812 15.680 -5.694 1.00 72.40 O ATOM 0 H GLU A 72 -15.419 10.401 -6.303 1.00 35.14 H new ATOM 0 HA GLU A 72 -16.290 11.703 -3.792 1.00 25.51 H new ATOM 0 HB2 GLU A 72 -17.354 12.111 -6.617 1.00 54.30 H new ATOM 0 HB3 GLU A 72 -18.177 12.671 -5.175 1.00 54.30 H new ATOM 0 HG2 GLU A 72 -16.166 14.076 -4.629 1.00 54.05 H new ATOM 0 HG3 GLU A 72 -15.446 13.577 -6.147 1.00 54.05 H new ATOM 1072 N HIS A 73 -18.697 10.447 -4.093 1.00 70.31 N ATOM 1073 CA HIS A 73 -19.808 9.496 -4.108 1.00 42.34 C ATOM 1074 C HIS A 73 -20.169 9.116 -5.555 1.00 32.12 C ATOM 1075 O HIS A 73 -20.398 9.989 -6.395 1.00 32.34 O ATOM 1076 CB HIS A 73 -21.020 10.094 -3.379 1.00 12.44 C ATOM 1077 CG HIS A 73 -21.336 11.506 -3.781 1.00 21.52 C ATOM 1078 ND1 HIS A 73 -20.858 12.606 -3.099 1.00 74.45 N ATOM 1079 CD2 HIS A 73 -22.076 11.999 -4.805 1.00 40.12 C ATOM 1080 CE1 HIS A 73 -21.288 13.707 -3.680 1.00 33.15 C ATOM 1081 NE2 HIS A 73 -22.029 13.368 -4.715 1.00 60.33 N ATOM 0 H HIS A 73 -18.897 11.321 -3.606 1.00 70.31 H new ATOM 0 HA HIS A 73 -19.505 8.588 -3.587 1.00 42.34 H new ATOM 0 HB2 HIS A 73 -21.892 9.468 -3.570 1.00 12.44 H new ATOM 0 HB3 HIS A 73 -20.836 10.065 -2.305 1.00 12.44 H new ATOM 0 HD2 HIS A 73 -22.603 11.423 -5.551 1.00 40.12 H new ATOM 0 HE1 HIS A 73 -21.070 14.716 -3.362 1.00 33.15 H new ATOM 0 HE2 HIS A 73 -22.494 14.019 -5.348 1.00 60.33 H new ATOM 1090 N HIS A 74 -20.194 7.816 -5.842 1.00 53.35 N ATOM 1091 CA HIS A 74 -20.438 7.317 -7.203 1.00 61.41 C ATOM 1092 C HIS A 74 -21.848 7.705 -7.695 1.00 24.10 C ATOM 1093 O HIS A 74 -22.795 6.937 -7.548 1.00 0.12 O ATOM 1094 CB HIS A 74 -20.243 5.792 -7.231 1.00 5.23 C ATOM 1095 CG HIS A 74 -20.040 5.217 -8.600 1.00 73.23 C ATOM 1096 ND1 HIS A 74 -18.792 4.958 -9.124 1.00 15.22 N ATOM 1097 CD2 HIS A 74 -20.929 4.837 -9.551 1.00 40.13 C ATOM 1098 CE1 HIS A 74 -18.920 4.449 -10.332 1.00 3.10 C ATOM 1099 NE2 HIS A 74 -20.204 4.363 -10.614 1.00 54.32 N ATOM 0 H HIS A 74 -20.048 7.082 -5.149 1.00 53.35 H new ATOM 0 HA HIS A 74 -19.722 7.779 -7.882 1.00 61.41 H new ATOM 0 HB2 HIS A 74 -19.383 5.537 -6.612 1.00 5.23 H new ATOM 0 HB3 HIS A 74 -21.114 5.319 -6.777 1.00 5.23 H new ATOM 0 HD2 HIS A 74 -22.005 4.896 -9.484 1.00 40.13 H new ATOM 0 HE1 HIS A 74 -18.110 4.152 -10.981 1.00 3.10 H new ATOM 0 HE2 HIS A 74 -20.596 4.002 -11.484 1.00 54.32 H new ATOM 1108 N HIS A 75 -21.958 8.911 -8.274 1.00 13.05 N ATOM 1109 CA HIS A 75 -23.249 9.515 -8.666 1.00 2.25 C ATOM 1110 C HIS A 75 -24.053 9.990 -7.445 1.00 53.31 C ATOM 1111 O HIS A 75 -23.788 9.592 -6.311 1.00 15.43 O ATOM 1112 CB HIS A 75 -24.111 8.559 -9.511 1.00 50.35 C ATOM 1113 CG HIS A 75 -23.607 8.354 -10.904 1.00 43.10 C ATOM 1114 ND1 HIS A 75 -24.085 7.367 -11.735 1.00 40.13 N ATOM 1115 CD2 HIS A 75 -22.684 9.031 -11.625 1.00 1.12 C ATOM 1116 CE1 HIS A 75 -23.481 7.444 -12.899 1.00 3.22 C ATOM 1117 NE2 HIS A 75 -22.626 8.443 -12.862 1.00 41.04 N ATOM 0 H HIS A 75 -21.153 9.500 -8.486 1.00 13.05 H new ATOM 0 HA HIS A 75 -22.997 10.380 -9.279 1.00 2.25 H new ATOM 0 HB2 HIS A 75 -24.162 7.593 -9.009 1.00 50.35 H new ATOM 0 HB3 HIS A 75 -25.128 8.949 -9.557 1.00 50.35 H new ATOM 0 HD2 HIS A 75 -22.102 9.876 -11.289 1.00 1.12 H new ATOM 0 HE1 HIS A 75 -23.657 6.796 -13.745 1.00 3.22 H new ATOM 0 HE2 HIS A 75 -22.019 8.733 -13.629 1.00 41.04 H new ATOM 1126 N HIS A 76 -25.031 10.857 -7.686 1.00 31.30 N ATOM 1127 CA HIS A 76 -25.886 11.376 -6.615 1.00 14.12 C ATOM 1128 C HIS A 76 -26.884 10.316 -6.110 1.00 72.45 C ATOM 1129 O HIS A 76 -27.862 9.995 -6.786 1.00 43.42 O ATOM 1130 CB HIS A 76 -26.645 12.623 -7.098 1.00 55.52 C ATOM 1131 CG HIS A 76 -27.623 13.161 -6.097 1.00 15.25 C ATOM 1132 ND1 HIS A 76 -28.978 13.245 -6.341 1.00 63.31 N ATOM 1133 CD2 HIS A 76 -27.444 13.631 -4.840 1.00 23.13 C ATOM 1134 CE1 HIS A 76 -29.584 13.738 -5.283 1.00 0.23 C ATOM 1135 NE2 HIS A 76 -28.677 13.981 -4.360 1.00 40.35 N ATOM 0 H HIS A 76 -25.254 11.218 -8.614 1.00 31.30 H new ATOM 0 HA HIS A 76 -25.237 11.645 -5.781 1.00 14.12 H new ATOM 0 HB2 HIS A 76 -25.924 13.403 -7.344 1.00 55.52 H new ATOM 0 HB3 HIS A 76 -27.177 12.380 -8.018 1.00 55.52 H new ATOM 0 HD2 HIS A 76 -26.504 13.714 -4.314 1.00 23.13 H new ATOM 0 HE1 HIS A 76 -30.645 13.914 -5.187 1.00 0.23 H new ATOM 0 HE2 HIS A 76 -28.863 14.368 -3.435 1.00 40.35 H new ATOM 1144 N HIS A 77 -26.617 9.774 -4.924 1.00 30.25 N ATOM 1145 CA HIS A 77 -27.526 8.829 -4.259 1.00 42.02 C ATOM 1146 C HIS A 77 -27.959 9.379 -2.890 1.00 43.44 C ATOM 1147 O HIS A 77 -27.889 10.586 -2.637 1.00 45.03 O ATOM 1148 CB HIS A 77 -26.833 7.471 -4.061 1.00 23.34 C ATOM 1149 CG HIS A 77 -26.386 6.812 -5.330 1.00 43.35 C ATOM 1150 ND1 HIS A 77 -27.134 5.863 -5.996 1.00 2.34 N ATOM 1151 CD2 HIS A 77 -25.247 6.950 -6.044 1.00 60.12 C ATOM 1152 CE1 HIS A 77 -26.476 5.450 -7.058 1.00 15.12 C ATOM 1153 NE2 HIS A 77 -25.331 6.093 -7.111 1.00 45.31 N ATOM 0 H HIS A 77 -25.769 9.973 -4.394 1.00 30.25 H new ATOM 0 HA HIS A 77 -28.404 8.698 -4.891 1.00 42.02 H new ATOM 0 HB2 HIS A 77 -25.967 7.610 -3.414 1.00 23.34 H new ATOM 0 HB3 HIS A 77 -27.516 6.801 -3.539 1.00 23.34 H new ATOM 0 HD2 HIS A 77 -24.424 7.612 -5.817 1.00 60.12 H new ATOM 0 HE1 HIS A 77 -26.818 4.709 -7.765 1.00 15.12 H new ATOM 0 HE2 HIS A 77 -24.618 5.974 -7.831 1.00 45.31 H new ATOM 1162 N HIS A 78 -28.428 8.492 -2.017 1.00 51.13 N ATOM 1163 CA HIS A 78 -28.679 8.845 -0.616 1.00 33.13 C ATOM 1164 C HIS A 78 -27.618 8.191 0.295 1.00 74.40 C ATOM 1165 O HIS A 78 -27.743 6.979 0.590 1.00 37.94 O ATOM 1166 CB HIS A 78 -30.093 8.419 -0.194 1.00 11.32 C ATOM 1167 CG HIS A 78 -30.453 8.856 1.194 1.00 71.11 C ATOM 1168 ND1 HIS A 78 -30.262 8.065 2.306 1.00 11.50 N ATOM 1169 CD2 HIS A 78 -30.980 10.018 1.652 1.00 1.34 C ATOM 1170 CE1 HIS A 78 -30.648 8.718 3.382 1.00 51.34 C ATOM 1171 NE2 HIS A 78 -31.087 9.905 3.016 1.00 32.44 N ATOM 1172 OXT HIS A 78 -26.660 8.889 0.697 1.00 37.94 O ATOM 0 H HIS A 78 -28.643 7.523 -2.251 1.00 51.13 H new ATOM 0 HA HIS A 78 -28.607 9.928 -0.512 1.00 33.13 H new ATOM 0 HB2 HIS A 78 -30.815 8.834 -0.897 1.00 11.32 H new ATOM 0 HB3 HIS A 78 -30.173 7.334 -0.258 1.00 11.32 H new ATOM 0 HD2 HIS A 78 -31.263 10.873 1.055 1.00 1.34 H new ATOM 0 HE1 HIS A 78 -30.611 8.344 4.394 1.00 51.34 H new ATOM 0 HE2 HIS A 78 -31.448 10.623 3.644 1.00 32.44 H new TER 1181 HIS A 78