USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1049 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 104 MET CE :methyl 168:sc= -0.247 (180deg=-0.714) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0215 K(o=-0.27,f=-1.4) USER MOD Set 2.1: A 107 TYR OH : rot -171:sc= 0.479 USER MOD Set 2.2: A 127 CYS SG : rot -15:sc= -1.44! USER MOD Set 3.1: A 67 GLN :FLIP amide:sc= -0.112 F(o=-1.4,f=-0.43) USER MOD Set 3.2: A 97 MET CE :methyl -146:sc= -0.319 (180deg=-2.37!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0335 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.381 K(o=0.38,f=-1.4) USER MOD Single : A 6 HIS : no HE2:sc= 0.413 K(o=0.41,f=-1.4!) USER MOD Single : A 7 HIS : no HE2:sc= -0.0658 X(o=-0.066,f=-0.066) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.0575 X(o=0.057,f=-0.25) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.0483 (180deg=-0.336) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -160:sc= 0 (180deg=-0.0404) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.156) USER MOD Single : A 21 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.6) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.0244 (180deg=-0.146) USER MOD Single : A 24 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.0097) USER MOD Single : A 26 CYS SG : rot 62:sc= 1.11 USER MOD Single : A 28 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 36 MET CE :methyl 157:sc= -0.218 (180deg=-0.773) USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= -1.44 (180deg=-2.36!) USER MOD Single : A 38 HIS : no HD1:sc= 0.0825 K(o=0.083,f=-0.96) USER MOD Single : A 39 TYR OH : rot 180:sc= -3.2! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.048) USER MOD Single : A 46 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0183) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0379) USER MOD Single : A 53 TYR OH : rot 41:sc= 0.307 USER MOD Single : A 54 SER OG : rot -130:sc= -0.0721 USER MOD Single : A 55 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.36) USER MOD Single : A 59 CYS SG : rot 67:sc= 0.853 USER MOD Single : A 60 TYR OH : rot 44:sc= 1.34 USER MOD Single : A 61 THR OG1 : rot -76:sc= 0.952 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 34:sc= -0.612 USER MOD Single : A 76 CYS SG : rot 84:sc= -3.56! USER MOD Single : A 78 GLN : amide:sc= 0.0427 X(o=0.043,f=-0.2) USER MOD Single : A 82 THR OG1 : rot -16:sc= 0.435 USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0.72 (180deg=0.677) USER MOD Single : A 87 TYR OH : rot 126:sc= 0.68 USER MOD Single : A 88 THR OG1 : rot 68:sc= 0.382 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.945 (180deg=0.938) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0284 (180deg=-0.219) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.075 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.0078) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -44:sc= -6.79! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -108:sc= 0.00515 USER MOD Single : A 125 GLN : amide:sc= -0.889 X(o=-0.89,f=-1.1) USER MOD Single : A 128 MET CE :methyl -156:sc= -0.16 (180deg=-0.71) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.393 -0.356 17.380 1.00 24.33 N ATOM 2 CA MET A 1 11.932 -0.503 17.221 1.00 42.33 C ATOM 3 C MET A 1 11.227 0.765 17.733 1.00 41.03 C ATOM 4 O MET A 1 11.672 1.376 18.713 1.00 51.15 O ATOM 5 CB MET A 1 11.418 -1.775 17.958 1.00 73.00 C ATOM 6 CG MET A 1 11.595 -1.769 19.487 1.00 22.30 C ATOM 7 SD MET A 1 10.872 -3.222 20.283 1.00 65.21 S ATOM 8 CE MET A 1 11.052 -2.805 22.022 1.00 70.33 C ATOM 0 H1 MET A 1 13.784 -1.218 17.811 1.00 24.33 H new ATOM 0 H2 MET A 1 13.830 -0.206 16.448 1.00 24.33 H new ATOM 0 H3 MET A 1 13.595 0.459 17.993 1.00 24.33 H new ATOM 0 HA MET A 1 11.699 -0.627 16.163 1.00 42.33 H new ATOM 0 HB2 MET A 1 10.359 -1.902 17.732 1.00 73.00 H new ATOM 0 HB3 MET A 1 11.937 -2.644 17.553 1.00 73.00 H new ATOM 0 HG2 MET A 1 12.658 -1.722 19.725 1.00 22.30 H new ATOM 0 HG3 MET A 1 11.136 -0.870 19.898 1.00 22.30 H new ATOM 0 HE1 MET A 1 10.648 -3.612 22.633 1.00 70.33 H new ATOM 0 HE2 MET A 1 12.108 -2.666 22.256 1.00 70.33 H new ATOM 0 HE3 MET A 1 10.510 -1.883 22.233 1.00 70.33 H new ATOM 20 N GLY A 2 10.148 1.162 17.040 1.00 12.23 N ATOM 21 CA GLY A 2 9.315 2.298 17.437 1.00 55.00 C ATOM 22 C GLY A 2 9.993 3.657 17.281 1.00 5.31 C ATOM 23 O GLY A 2 9.981 4.233 16.185 1.00 75.14 O ATOM 0 H GLY A 2 9.832 0.700 16.187 1.00 12.23 H new ATOM 0 HA2 GLY A 2 8.402 2.290 16.842 1.00 55.00 H new ATOM 0 HA3 GLY A 2 9.018 2.170 18.478 1.00 55.00 H new ATOM 27 N HIS A 3 10.611 4.159 18.372 1.00 72.22 N ATOM 28 CA HIS A 3 11.093 5.552 18.438 1.00 22.31 C ATOM 29 C HIS A 3 12.503 5.719 17.817 1.00 73.44 C ATOM 30 O HIS A 3 13.426 4.944 18.098 1.00 43.20 O ATOM 31 CB HIS A 3 11.041 6.099 19.901 1.00 30.53 C ATOM 32 CG HIS A 3 11.993 5.477 20.902 1.00 21.34 C ATOM 33 ND1 HIS A 3 11.602 4.533 21.828 1.00 54.24 N ATOM 34 CD2 HIS A 3 13.304 5.725 21.168 1.00 43.21 C ATOM 35 CE1 HIS A 3 12.619 4.235 22.613 1.00 63.45 C ATOM 36 NE2 HIS A 3 13.663 4.938 22.232 1.00 45.32 N ATOM 0 H HIS A 3 10.787 3.618 19.219 1.00 72.22 H new ATOM 0 HA HIS A 3 10.414 6.152 17.832 1.00 22.31 H new ATOM 0 HB2 HIS A 3 11.236 7.171 19.869 1.00 30.53 H new ATOM 0 HB3 HIS A 3 10.025 5.971 20.275 1.00 30.53 H new ATOM 0 HD2 HIS A 3 13.944 6.415 20.638 1.00 43.21 H new ATOM 0 HE1 HIS A 3 12.598 3.531 23.432 1.00 63.45 H new ATOM 0 HE2 HIS A 3 14.589 4.903 22.658 1.00 45.32 H new ATOM 45 N HIS A 4 12.607 6.717 16.929 1.00 1.10 N ATOM 46 CA HIS A 4 13.859 7.275 16.389 1.00 73.24 C ATOM 47 C HIS A 4 13.578 8.756 16.089 1.00 22.34 C ATOM 48 O HIS A 4 12.547 9.065 15.473 1.00 21.21 O ATOM 49 CB HIS A 4 14.331 6.549 15.094 1.00 1.41 C ATOM 50 CG HIS A 4 15.137 5.286 15.304 1.00 52.24 C ATOM 51 ND1 HIS A 4 14.730 4.044 14.871 1.00 4.23 N ATOM 52 CD2 HIS A 4 16.362 5.099 15.851 1.00 10.55 C ATOM 53 CE1 HIS A 4 15.672 3.158 15.129 1.00 50.10 C ATOM 54 NE2 HIS A 4 16.670 3.768 15.726 1.00 22.31 N ATOM 0 H HIS A 4 11.782 7.181 16.548 1.00 1.10 H new ATOM 0 HA HIS A 4 14.662 7.144 17.115 1.00 73.24 H new ATOM 0 HB2 HIS A 4 13.453 6.302 14.498 1.00 1.41 H new ATOM 0 HB3 HIS A 4 14.929 7.246 14.507 1.00 1.41 H new ATOM 0 HD2 HIS A 4 16.983 5.859 16.303 1.00 10.55 H new ATOM 0 HE1 HIS A 4 15.630 2.106 14.889 1.00 50.10 H new ATOM 0 HE2 HIS A 4 17.532 3.325 16.044 1.00 22.31 H new ATOM 63 N HIS A 5 14.472 9.664 16.524 1.00 23.04 N ATOM 64 CA HIS A 5 14.282 11.116 16.318 1.00 44.21 C ATOM 65 C HIS A 5 14.413 11.472 14.820 1.00 0.41 C ATOM 66 O HIS A 5 15.135 10.797 14.074 1.00 61.14 O ATOM 67 CB HIS A 5 15.263 11.961 17.180 1.00 1.25 C ATOM 68 CG HIS A 5 16.711 11.948 16.743 1.00 50.54 C ATOM 69 ND1 HIS A 5 17.233 12.855 15.846 1.00 31.50 N ATOM 70 CD2 HIS A 5 17.750 11.153 17.101 1.00 43.31 C ATOM 71 CE1 HIS A 5 18.516 12.618 15.670 1.00 52.41 C ATOM 72 NE2 HIS A 5 18.859 11.589 16.417 1.00 50.33 N ATOM 0 H HIS A 5 15.330 9.421 17.019 1.00 23.04 H new ATOM 0 HA HIS A 5 13.273 11.365 16.648 1.00 44.21 H new ATOM 0 HB2 HIS A 5 14.915 12.994 17.184 1.00 1.25 H new ATOM 0 HB3 HIS A 5 15.211 11.604 18.208 1.00 1.25 H new ATOM 0 HD1 HIS A 5 16.705 13.598 15.388 1.00 31.50 H new ATOM 0 HD2 HIS A 5 17.712 10.328 17.797 1.00 43.31 H new ATOM 0 HE1 HIS A 5 19.177 13.174 15.022 1.00 52.41 H new ATOM 81 N HIS A 6 13.689 12.520 14.395 1.00 44.22 N ATOM 82 CA HIS A 6 13.704 13.006 13.002 1.00 43.20 C ATOM 83 C HIS A 6 15.064 13.641 12.643 1.00 44.00 C ATOM 84 O HIS A 6 15.882 13.915 13.528 1.00 15.00 O ATOM 85 CB HIS A 6 12.546 14.014 12.764 1.00 25.10 C ATOM 86 CG HIS A 6 12.570 15.245 13.644 1.00 43.14 C ATOM 87 ND1 HIS A 6 13.246 16.398 13.316 1.00 42.03 N ATOM 88 CD2 HIS A 6 11.977 15.495 14.844 1.00 50.51 C ATOM 89 CE1 HIS A 6 13.071 17.295 14.267 1.00 60.41 C ATOM 90 NE2 HIS A 6 12.308 16.777 15.205 1.00 75.44 N ATOM 0 H HIS A 6 13.075 13.057 15.008 1.00 44.22 H new ATOM 0 HA HIS A 6 13.556 12.148 12.346 1.00 43.20 H new ATOM 0 HB2 HIS A 6 12.571 14.332 11.722 1.00 25.10 H new ATOM 0 HB3 HIS A 6 11.599 13.497 12.917 1.00 25.10 H new ATOM 0 HD1 HIS A 6 13.797 16.537 12.469 1.00 42.03 H new ATOM 0 HD2 HIS A 6 11.360 14.811 15.408 1.00 50.51 H new ATOM 0 HE1 HIS A 6 13.486 18.292 14.274 1.00 60.41 H new ATOM 99 N HIS A 7 15.280 13.876 11.333 1.00 53.02 N ATOM 100 CA HIS A 7 16.511 14.510 10.811 1.00 60.34 C ATOM 101 C HIS A 7 16.706 15.926 11.400 1.00 53.41 C ATOM 102 O HIS A 7 15.731 16.571 11.817 1.00 5.12 O ATOM 103 CB HIS A 7 16.490 14.543 9.253 1.00 30.24 C ATOM 104 CG HIS A 7 15.293 15.234 8.619 1.00 71.35 C ATOM 105 ND1 HIS A 7 14.446 14.604 7.731 1.00 0.21 N ATOM 106 CD2 HIS A 7 14.834 16.512 8.710 1.00 42.51 C ATOM 107 CE1 HIS A 7 13.533 15.457 7.309 1.00 22.20 C ATOM 108 NE2 HIS A 7 13.747 16.617 7.884 1.00 52.23 N ATOM 0 H HIS A 7 14.607 13.632 10.606 1.00 53.02 H new ATOM 0 HA HIS A 7 17.363 13.907 11.126 1.00 60.34 H new ATOM 0 HB2 HIS A 7 17.397 15.039 8.907 1.00 30.24 H new ATOM 0 HB3 HIS A 7 16.529 13.517 8.887 1.00 30.24 H new ATOM 0 HD1 HIS A 7 14.515 13.628 7.445 1.00 0.21 H new ATOM 0 HD2 HIS A 7 15.251 17.299 9.321 1.00 42.51 H new ATOM 0 HE1 HIS A 7 12.742 15.238 6.608 1.00 22.20 H new ATOM 117 N HIS A 8 17.965 16.399 11.417 1.00 72.34 N ATOM 118 CA HIS A 8 18.313 17.736 11.940 1.00 44.30 C ATOM 119 C HIS A 8 17.735 18.852 11.048 1.00 1.10 C ATOM 120 O HIS A 8 17.533 18.664 9.835 1.00 12.04 O ATOM 121 CB HIS A 8 19.846 17.883 12.125 1.00 72.44 C ATOM 122 CG HIS A 8 20.376 17.149 13.330 1.00 1.10 C ATOM 123 ND1 HIS A 8 20.590 17.765 14.542 1.00 64.54 N ATOM 124 CD2 HIS A 8 20.704 15.845 13.516 1.00 25.34 C ATOM 125 CE1 HIS A 8 21.024 16.883 15.414 1.00 24.21 C ATOM 126 NE2 HIS A 8 21.106 15.710 14.820 1.00 22.10 N ATOM 0 H HIS A 8 18.766 15.871 11.072 1.00 72.34 H new ATOM 0 HA HIS A 8 17.856 17.840 12.924 1.00 44.30 H new ATOM 0 HB2 HIS A 8 20.350 17.512 11.232 1.00 72.44 H new ATOM 0 HB3 HIS A 8 20.094 18.941 12.215 1.00 72.44 H new ATOM 0 HD2 HIS A 8 20.657 15.060 12.775 1.00 25.34 H new ATOM 0 HE1 HIS A 8 21.272 17.086 16.445 1.00 24.21 H new ATOM 0 HE2 HIS A 8 21.418 14.843 15.258 1.00 22.10 H new ATOM 135 N SER A 9 17.502 20.008 11.688 1.00 14.12 N ATOM 136 CA SER A 9 16.687 21.114 11.162 1.00 74.45 C ATOM 137 C SER A 9 17.241 21.694 9.844 1.00 32.53 C ATOM 138 O SER A 9 18.445 21.926 9.716 1.00 3.21 O ATOM 139 CB SER A 9 16.591 22.227 12.235 1.00 72.41 C ATOM 140 OG SER A 9 15.694 23.258 11.851 1.00 32.54 O ATOM 0 H SER A 9 17.886 20.205 12.612 1.00 14.12 H new ATOM 0 HA SER A 9 15.698 20.716 10.934 1.00 74.45 H new ATOM 0 HB2 SER A 9 16.262 21.793 13.179 1.00 72.41 H new ATOM 0 HB3 SER A 9 17.580 22.652 12.407 1.00 72.41 H new ATOM 0 HG SER A 9 15.659 23.940 12.554 1.00 32.54 H new ATOM 146 N HIS A 10 16.336 21.906 8.870 1.00 72.43 N ATOM 147 CA HIS A 10 16.622 22.590 7.596 1.00 22.35 C ATOM 148 C HIS A 10 15.417 23.456 7.208 1.00 12.21 C ATOM 149 O HIS A 10 14.282 23.165 7.604 1.00 70.14 O ATOM 150 CB HIS A 10 16.958 21.571 6.467 1.00 42.45 C ATOM 151 CG HIS A 10 18.349 20.994 6.548 1.00 20.31 C ATOM 152 ND1 HIS A 10 18.641 19.814 7.193 1.00 52.51 N ATOM 153 CD2 HIS A 10 19.532 21.451 6.067 1.00 23.10 C ATOM 154 CE1 HIS A 10 19.929 19.566 7.093 1.00 51.13 C ATOM 155 NE2 HIS A 10 20.494 20.542 6.416 1.00 53.42 N ATOM 0 H HIS A 10 15.366 21.600 8.949 1.00 72.43 H new ATOM 0 HA HIS A 10 17.498 23.225 7.726 1.00 22.35 H new ATOM 0 HB2 HIS A 10 16.236 20.755 6.503 1.00 42.45 H new ATOM 0 HB3 HIS A 10 16.836 22.062 5.502 1.00 42.45 H new ATOM 0 HD1 HIS A 10 17.963 19.223 7.674 1.00 52.51 H new ATOM 0 HD2 HIS A 10 19.686 22.364 5.511 1.00 23.10 H new ATOM 0 HE1 HIS A 10 20.438 18.704 7.499 1.00 51.13 H new ATOM 164 N MET A 11 15.703 24.528 6.446 1.00 5.25 N ATOM 165 CA MET A 11 14.702 25.500 5.960 1.00 13.53 C ATOM 166 C MET A 11 13.644 24.782 5.112 1.00 32.40 C ATOM 167 O MET A 11 12.450 24.812 5.424 1.00 51.35 O ATOM 168 CB MET A 11 15.402 26.619 5.134 1.00 14.12 C ATOM 169 CG MET A 11 16.482 27.397 5.896 1.00 0.02 C ATOM 170 SD MET A 11 17.335 28.626 4.875 1.00 34.04 S ATOM 171 CE MET A 11 18.181 27.598 3.667 1.00 24.12 C ATOM 0 H MET A 11 16.652 24.748 6.145 1.00 5.25 H new ATOM 0 HA MET A 11 14.206 25.961 6.814 1.00 13.53 H new ATOM 0 HB2 MET A 11 15.853 26.170 4.249 1.00 14.12 H new ATOM 0 HB3 MET A 11 14.645 27.322 4.785 1.00 14.12 H new ATOM 0 HG2 MET A 11 16.025 27.898 6.749 1.00 0.02 H new ATOM 0 HG3 MET A 11 17.214 26.694 6.294 1.00 0.02 H new ATOM 0 HE1 MET A 11 18.953 28.184 3.168 1.00 24.12 H new ATOM 0 HE2 MET A 11 18.640 26.747 4.171 1.00 24.12 H new ATOM 0 HE3 MET A 11 17.464 27.239 2.929 1.00 24.12 H new ATOM 181 N ASN A 12 14.111 24.128 4.033 1.00 63.22 N ATOM 182 CA ASN A 12 13.308 23.193 3.235 1.00 72.24 C ATOM 183 C ASN A 12 14.154 21.932 3.012 1.00 42.30 C ATOM 184 O ASN A 12 15.009 21.931 2.121 1.00 12.32 O ATOM 185 CB ASN A 12 12.882 23.793 1.857 1.00 75.20 C ATOM 186 CG ASN A 12 12.245 25.173 1.983 1.00 34.23 C ATOM 187 OD1 ASN A 12 12.921 26.191 1.844 1.00 51.22 O ATOM 188 ND2 ASN A 12 10.964 25.223 2.300 1.00 60.35 N ATOM 0 H ASN A 12 15.065 24.237 3.690 1.00 63.22 H new ATOM 0 HA ASN A 12 12.387 22.971 3.775 1.00 72.24 H new ATOM 0 HB2 ASN A 12 13.756 23.859 1.209 1.00 75.20 H new ATOM 0 HB3 ASN A 12 12.178 23.116 1.373 1.00 75.20 H new ATOM 0 HD21 ASN A 12 10.507 26.125 2.437 1.00 60.35 H new ATOM 0 HD22 ASN A 12 10.431 24.360 2.408 1.00 60.35 H new ATOM 195 N PRO A 13 13.985 20.854 3.844 1.00 23.01 N ATOM 196 CA PRO A 13 14.690 19.568 3.627 1.00 13.23 C ATOM 197 C PRO A 13 14.249 18.918 2.297 1.00 3.05 C ATOM 198 O PRO A 13 15.067 18.346 1.566 1.00 51.30 O ATOM 199 CB PRO A 13 14.280 18.696 4.859 1.00 74.44 C ATOM 200 CG PRO A 13 13.703 19.661 5.858 1.00 42.45 C ATOM 201 CD PRO A 13 13.109 20.790 5.044 1.00 62.31 C ATOM 0 HA PRO A 13 15.771 19.685 3.550 1.00 13.23 H new ATOM 0 HB2 PRO A 13 13.549 17.938 4.578 1.00 74.44 H new ATOM 0 HB3 PRO A 13 15.141 18.171 5.272 1.00 74.44 H new ATOM 0 HG2 PRO A 13 12.942 19.180 6.473 1.00 42.45 H new ATOM 0 HG3 PRO A 13 14.473 20.030 6.535 1.00 42.45 H new ATOM 0 HD2 PRO A 13 12.073 20.587 4.774 1.00 62.31 H new ATOM 0 HD3 PRO A 13 13.116 21.730 5.596 1.00 62.31 H new ATOM 209 N ASP A 14 12.939 19.067 1.996 1.00 25.13 N ATOM 210 CA ASP A 14 12.288 18.452 0.833 1.00 74.13 C ATOM 211 C ASP A 14 10.845 18.988 0.708 1.00 13.23 C ATOM 212 O ASP A 14 10.017 18.718 1.570 1.00 14.44 O ATOM 213 CB ASP A 14 12.311 16.902 0.993 1.00 75.30 C ATOM 214 CG ASP A 14 11.688 16.126 -0.170 1.00 40.43 C ATOM 215 OD1 ASP A 14 12.121 16.320 -1.332 1.00 4.41 O ATOM 216 OD2 ASP A 14 10.799 15.293 0.081 1.00 2.21 O ATOM 0 H ASP A 14 12.303 19.626 2.565 1.00 25.13 H new ATOM 0 HA ASP A 14 12.823 18.709 -0.081 1.00 74.13 H new ATOM 0 HB2 ASP A 14 13.345 16.579 1.114 1.00 75.30 H new ATOM 0 HB3 ASP A 14 11.785 16.638 1.910 1.00 75.30 H new ATOM 221 N LEU A 15 10.556 19.757 -0.366 1.00 4.31 N ATOM 222 CA LEU A 15 9.206 20.319 -0.628 1.00 42.24 C ATOM 223 C LEU A 15 8.177 19.185 -0.797 1.00 22.24 C ATOM 224 O LEU A 15 7.013 19.312 -0.391 1.00 61.51 O ATOM 225 CB LEU A 15 9.195 21.223 -1.895 1.00 22.40 C ATOM 226 CG LEU A 15 10.114 22.499 -1.869 1.00 42.03 C ATOM 227 CD1 LEU A 15 11.607 22.172 -2.118 1.00 31.23 C ATOM 228 CD2 LEU A 15 9.594 23.573 -2.862 1.00 70.11 C ATOM 0 H LEU A 15 11.247 20.006 -1.074 1.00 4.31 H new ATOM 0 HA LEU A 15 8.937 20.933 0.232 1.00 42.24 H new ATOM 0 HB2 LEU A 15 9.487 20.612 -2.749 1.00 22.40 H new ATOM 0 HB3 LEU A 15 8.169 21.548 -2.071 1.00 22.40 H new ATOM 0 HG LEU A 15 10.059 22.907 -0.860 1.00 42.03 H new ATOM 0 HD11 LEU A 15 12.191 23.092 -2.088 1.00 31.23 H new ATOM 0 HD12 LEU A 15 11.964 21.491 -1.346 1.00 31.23 H new ATOM 0 HD13 LEU A 15 11.719 21.703 -3.096 1.00 31.23 H new ATOM 0 HD21 LEU A 15 10.245 24.447 -2.827 1.00 70.11 H new ATOM 0 HD22 LEU A 15 9.590 23.163 -3.872 1.00 70.11 H new ATOM 0 HD23 LEU A 15 8.581 23.864 -2.585 1.00 70.11 H new ATOM 240 N ALA A 16 8.658 18.067 -1.362 1.00 23.31 N ATOM 241 CA ALA A 16 7.871 16.844 -1.546 1.00 12.50 C ATOM 242 C ALA A 16 7.383 16.271 -0.204 1.00 25.50 C ATOM 243 O ALA A 16 6.338 15.613 -0.154 1.00 62.31 O ATOM 244 CB ALA A 16 8.688 15.807 -2.318 1.00 14.35 C ATOM 0 H ALA A 16 9.615 17.989 -1.707 1.00 23.31 H new ATOM 0 HA ALA A 16 6.984 17.098 -2.126 1.00 12.50 H new ATOM 0 HB1 ALA A 16 8.095 14.902 -2.450 1.00 14.35 H new ATOM 0 HB2 ALA A 16 8.958 16.210 -3.294 1.00 14.35 H new ATOM 0 HB3 ALA A 16 9.594 15.569 -1.761 1.00 14.35 H new ATOM 250 N LEU A 17 8.135 16.545 0.889 1.00 74.51 N ATOM 251 CA LEU A 17 7.740 16.103 2.234 1.00 3.23 C ATOM 252 C LEU A 17 6.596 16.992 2.750 1.00 24.32 C ATOM 253 O LEU A 17 5.763 16.531 3.526 1.00 4.23 O ATOM 254 CB LEU A 17 8.979 16.037 3.211 1.00 41.13 C ATOM 255 CG LEU A 17 9.258 17.242 4.207 1.00 13.41 C ATOM 256 CD1 LEU A 17 8.392 17.180 5.493 1.00 43.42 C ATOM 257 CD2 LEU A 17 10.763 17.344 4.576 1.00 52.10 C ATOM 0 H LEU A 17 9.011 17.067 0.859 1.00 74.51 H new ATOM 0 HA LEU A 17 7.362 15.082 2.186 1.00 3.23 H new ATOM 0 HB2 LEU A 17 8.872 15.135 3.813 1.00 41.13 H new ATOM 0 HB3 LEU A 17 9.871 15.907 2.598 1.00 41.13 H new ATOM 0 HG LEU A 17 8.969 18.143 3.667 1.00 13.41 H new ATOM 0 HD11 LEU A 17 8.629 18.030 6.133 1.00 43.42 H new ATOM 0 HD12 LEU A 17 7.337 17.212 5.223 1.00 43.42 H new ATOM 0 HD13 LEU A 17 8.601 16.254 6.028 1.00 43.42 H new ATOM 0 HD21 LEU A 17 10.914 18.180 5.259 1.00 52.10 H new ATOM 0 HD22 LEU A 17 11.083 16.420 5.057 1.00 52.10 H new ATOM 0 HD23 LEU A 17 11.349 17.504 3.671 1.00 52.10 H new ATOM 269 N MET A 18 6.543 18.258 2.283 1.00 24.55 N ATOM 270 CA MET A 18 5.537 19.233 2.745 1.00 32.42 C ATOM 271 C MET A 18 4.164 18.888 2.141 1.00 54.40 C ATOM 272 O MET A 18 3.160 18.830 2.857 1.00 11.23 O ATOM 273 CB MET A 18 5.967 20.687 2.379 1.00 11.13 C ATOM 274 CG MET A 18 7.355 21.078 2.910 1.00 42.13 C ATOM 275 SD MET A 18 7.480 20.920 4.707 1.00 23.40 S ATOM 276 CE MET A 18 9.218 21.264 4.992 1.00 34.23 C ATOM 0 H MET A 18 7.188 18.627 1.584 1.00 24.55 H new ATOM 0 HA MET A 18 5.461 19.179 3.831 1.00 32.42 H new ATOM 0 HB2 MET A 18 5.960 20.795 1.294 1.00 11.13 H new ATOM 0 HB3 MET A 18 5.228 21.384 2.774 1.00 11.13 H new ATOM 0 HG2 MET A 18 8.111 20.449 2.440 1.00 42.13 H new ATOM 0 HG3 MET A 18 7.574 22.107 2.623 1.00 42.13 H new ATOM 0 HE1 MET A 18 9.513 20.866 5.963 1.00 34.23 H new ATOM 0 HE2 MET A 18 9.815 20.794 4.210 1.00 34.23 H new ATOM 0 HE3 MET A 18 9.383 22.341 4.976 1.00 34.23 H new ATOM 286 N VAL A 19 4.155 18.600 0.818 1.00 55.45 N ATOM 287 CA VAL A 19 2.915 18.329 0.047 1.00 13.11 C ATOM 288 C VAL A 19 2.282 16.965 0.426 1.00 2.22 C ATOM 289 O VAL A 19 1.049 16.815 0.393 1.00 12.00 O ATOM 290 CB VAL A 19 3.171 18.404 -1.519 1.00 40.32 C ATOM 291 CG1 VAL A 19 4.122 17.285 -2.005 1.00 43.00 C ATOM 292 CG2 VAL A 19 1.837 18.399 -2.324 1.00 74.32 C ATOM 0 H VAL A 19 5.004 18.549 0.255 1.00 55.45 H new ATOM 0 HA VAL A 19 2.206 19.113 0.315 1.00 13.11 H new ATOM 0 HB VAL A 19 3.666 19.356 -1.710 1.00 40.32 H new ATOM 0 HG11 VAL A 19 4.269 17.374 -3.081 1.00 43.00 H new ATOM 0 HG12 VAL A 19 5.083 17.378 -1.499 1.00 43.00 H new ATOM 0 HG13 VAL A 19 3.685 16.312 -1.778 1.00 43.00 H new ATOM 0 HG21 VAL A 19 2.055 18.451 -3.391 1.00 74.32 H new ATOM 0 HG22 VAL A 19 1.287 17.482 -2.111 1.00 74.32 H new ATOM 0 HG23 VAL A 19 1.234 19.260 -2.034 1.00 74.32 H new ATOM 302 N LYS A 20 3.128 15.987 0.817 1.00 61.14 N ATOM 303 CA LYS A 20 2.678 14.602 1.082 1.00 72.53 C ATOM 304 C LYS A 20 1.868 14.503 2.395 1.00 41.00 C ATOM 305 O LYS A 20 0.933 13.700 2.483 1.00 23.15 O ATOM 306 CB LYS A 20 3.886 13.611 1.136 1.00 62.45 C ATOM 307 CG LYS A 20 4.773 13.728 2.401 1.00 64.52 C ATOM 308 CD LYS A 20 5.814 12.600 2.565 1.00 24.43 C ATOM 309 CE LYS A 20 6.882 12.567 1.470 1.00 34.34 C ATOM 310 NZ LYS A 20 7.909 11.542 1.768 1.00 24.33 N ATOM 0 H LYS A 20 4.128 16.131 0.956 1.00 61.14 H new ATOM 0 HA LYS A 20 2.028 14.322 0.253 1.00 72.53 H new ATOM 0 HB2 LYS A 20 3.504 12.592 1.072 1.00 62.45 H new ATOM 0 HB3 LYS A 20 4.510 13.774 0.257 1.00 62.45 H new ATOM 0 HG2 LYS A 20 5.295 14.685 2.375 1.00 64.52 H new ATOM 0 HG3 LYS A 20 4.129 13.740 3.280 1.00 64.52 H new ATOM 0 HD2 LYS A 20 6.305 12.712 3.532 1.00 24.43 H new ATOM 0 HD3 LYS A 20 5.295 11.642 2.580 1.00 24.43 H new ATOM 0 HE2 LYS A 20 6.416 12.353 0.508 1.00 34.34 H new ATOM 0 HE3 LYS A 20 7.353 13.546 1.385 1.00 34.34 H new ATOM 0 HZ1 LYS A 20 8.225 11.099 0.882 1.00 24.33 H new ATOM 0 HZ2 LYS A 20 8.720 11.990 2.240 1.00 24.33 H new ATOM 0 HZ3 LYS A 20 7.504 10.816 2.392 1.00 24.33 H new ATOM 324 N ASN A 21 2.238 15.345 3.392 1.00 22.13 N ATOM 325 CA ASN A 21 1.735 15.253 4.782 1.00 14.34 C ATOM 326 C ASN A 21 0.220 15.508 4.846 1.00 34.44 C ATOM 327 O ASN A 21 -0.523 14.764 5.503 1.00 34.11 O ATOM 328 CB ASN A 21 2.497 16.241 5.715 1.00 11.42 C ATOM 329 CG ASN A 21 3.974 15.886 5.929 1.00 44.12 C ATOM 330 OD1 ASN A 21 4.360 14.717 5.910 1.00 45.02 O ATOM 331 ND2 ASN A 21 4.812 16.894 6.140 1.00 53.32 N ATOM 0 H ASN A 21 2.897 16.110 3.251 1.00 22.13 H new ATOM 0 HA ASN A 21 1.919 14.238 5.133 1.00 14.34 H new ATOM 0 HB2 ASN A 21 2.433 17.244 5.294 1.00 11.42 H new ATOM 0 HB3 ASN A 21 1.997 16.269 6.683 1.00 11.42 H new ATOM 0 HD21 ASN A 21 5.804 16.710 6.292 1.00 53.32 H new ATOM 0 HD22 ASN A 21 4.464 17.853 6.150 1.00 53.32 H new ATOM 338 N LYS A 22 -0.226 16.565 4.153 1.00 43.24 N ATOM 339 CA LYS A 22 -1.660 16.880 4.040 1.00 63.14 C ATOM 340 C LYS A 22 -2.356 15.917 3.060 1.00 24.54 C ATOM 341 O LYS A 22 -3.554 15.661 3.195 1.00 50.14 O ATOM 342 CB LYS A 22 -1.906 18.358 3.623 1.00 1.03 C ATOM 343 CG LYS A 22 -1.289 18.793 2.263 1.00 70.43 C ATOM 344 CD LYS A 22 0.129 19.395 2.370 1.00 11.23 C ATOM 345 CE LYS A 22 0.173 20.694 3.193 1.00 42.21 C ATOM 346 NZ LYS A 22 -0.774 21.717 2.683 1.00 32.43 N ATOM 0 H LYS A 22 0.385 17.218 3.661 1.00 43.24 H new ATOM 0 HA LYS A 22 -2.095 16.747 5.030 1.00 63.14 H new ATOM 0 HB2 LYS A 22 -2.982 18.530 3.583 1.00 1.03 H new ATOM 0 HB3 LYS A 22 -1.509 19.006 4.404 1.00 1.03 H new ATOM 0 HG2 LYS A 22 -1.254 17.928 1.600 1.00 70.43 H new ATOM 0 HG3 LYS A 22 -1.948 19.526 1.797 1.00 70.43 H new ATOM 0 HD2 LYS A 22 0.795 18.662 2.824 1.00 11.23 H new ATOM 0 HD3 LYS A 22 0.509 19.594 1.368 1.00 11.23 H new ATOM 0 HE2 LYS A 22 -0.063 20.470 4.233 1.00 42.21 H new ATOM 0 HE3 LYS A 22 1.185 21.098 3.176 1.00 42.21 H new ATOM 0 HZ1 LYS A 22 -0.603 22.621 3.168 1.00 32.43 H new ATOM 0 HZ2 LYS A 22 -0.634 21.841 1.660 1.00 32.43 H new ATOM 0 HZ3 LYS A 22 -1.750 21.407 2.864 1.00 32.43 H new ATOM 360 N GLY A 23 -1.576 15.365 2.101 1.00 61.22 N ATOM 361 CA GLY A 23 -2.099 14.442 1.087 1.00 51.01 C ATOM 362 C GLY A 23 -2.713 13.186 1.685 1.00 51.22 C ATOM 363 O GLY A 23 -3.852 12.825 1.359 1.00 34.42 O ATOM 0 H GLY A 23 -0.577 15.550 2.015 1.00 61.22 H new ATOM 0 HA2 GLY A 23 -2.850 14.957 0.488 1.00 51.01 H new ATOM 0 HA3 GLY A 23 -1.292 14.159 0.411 1.00 51.01 H new ATOM 367 N ASN A 24 -1.945 12.524 2.565 1.00 41.04 N ATOM 368 CA ASN A 24 -2.404 11.312 3.268 1.00 64.23 C ATOM 369 C ASN A 24 -3.478 11.625 4.316 1.00 4.43 C ATOM 370 O ASN A 24 -4.389 10.809 4.531 1.00 13.54 O ATOM 371 CB ASN A 24 -1.213 10.527 3.901 1.00 45.34 C ATOM 372 CG ASN A 24 -0.469 11.295 4.998 1.00 4.30 C ATOM 373 OD1 ASN A 24 -0.840 11.243 6.172 1.00 24.11 O ATOM 374 ND2 ASN A 24 0.595 11.987 4.636 1.00 42.44 N ATOM 0 H ASN A 24 -0.997 12.809 2.809 1.00 41.04 H new ATOM 0 HA ASN A 24 -2.863 10.670 2.516 1.00 64.23 H new ATOM 0 HB2 ASN A 24 -1.589 9.593 4.318 1.00 45.34 H new ATOM 0 HB3 ASN A 24 -0.506 10.264 3.114 1.00 45.34 H new ATOM 0 HD21 ASN A 24 1.134 12.497 5.336 1.00 42.44 H new ATOM 0 HD22 ASN A 24 0.878 12.012 3.656 1.00 42.44 H new ATOM 381 N GLU A 25 -3.389 12.813 4.962 1.00 74.21 N ATOM 382 CA GLU A 25 -4.331 13.172 6.034 1.00 13.11 C ATOM 383 C GLU A 25 -5.714 13.504 5.448 1.00 31.10 C ATOM 384 O GLU A 25 -6.706 13.288 6.124 1.00 3.25 O ATOM 385 CB GLU A 25 -3.799 14.320 6.946 1.00 25.22 C ATOM 386 CG GLU A 25 -4.164 15.753 6.506 1.00 30.21 C ATOM 387 CD GLU A 25 -3.665 16.829 7.474 1.00 54.31 C ATOM 388 OE1 GLU A 25 -2.502 17.269 7.352 1.00 62.52 O ATOM 389 OE2 GLU A 25 -4.431 17.233 8.377 1.00 2.21 O ATOM 0 H GLU A 25 -2.685 13.523 4.760 1.00 74.21 H new ATOM 0 HA GLU A 25 -4.432 12.300 6.680 1.00 13.11 H new ATOM 0 HB2 GLU A 25 -4.180 14.162 7.955 1.00 25.22 H new ATOM 0 HB3 GLU A 25 -2.713 14.242 6.999 1.00 25.22 H new ATOM 0 HG2 GLU A 25 -3.744 15.940 5.518 1.00 30.21 H new ATOM 0 HG3 GLU A 25 -5.247 15.832 6.412 1.00 30.21 H new ATOM 396 N CYS A 26 -5.766 14.018 4.188 1.00 12.00 N ATOM 397 CA CYS A 26 -7.038 14.347 3.486 1.00 65.32 C ATOM 398 C CYS A 26 -8.028 13.165 3.479 1.00 21.53 C ATOM 399 O CYS A 26 -9.216 13.328 3.788 1.00 23.53 O ATOM 400 CB CYS A 26 -6.767 14.834 2.050 1.00 20.13 C ATOM 401 SG CYS A 26 -5.997 16.454 1.988 1.00 10.22 S ATOM 0 H CYS A 26 -4.933 14.215 3.634 1.00 12.00 H new ATOM 0 HA CYS A 26 -7.505 15.156 4.047 1.00 65.32 H new ATOM 0 HB2 CYS A 26 -6.124 14.114 1.544 1.00 20.13 H new ATOM 0 HB3 CYS A 26 -7.707 14.864 1.500 1.00 20.13 H new ATOM 0 HG CYS A 26 -4.840 16.407 2.579 1.00 10.22 H new ATOM 407 N PHE A 27 -7.491 11.975 3.188 1.00 50.34 N ATOM 408 CA PHE A 27 -8.218 10.693 3.246 1.00 25.12 C ATOM 409 C PHE A 27 -8.845 10.496 4.652 1.00 33.23 C ATOM 410 O PHE A 27 -10.037 10.173 4.785 1.00 44.22 O ATOM 411 CB PHE A 27 -7.210 9.567 2.886 1.00 34.12 C ATOM 412 CG PHE A 27 -7.740 8.146 2.996 1.00 12.52 C ATOM 413 CD1 PHE A 27 -8.620 7.633 2.049 1.00 21.04 C ATOM 414 CD2 PHE A 27 -7.379 7.345 4.067 1.00 71.31 C ATOM 415 CE1 PHE A 27 -9.097 6.342 2.162 1.00 44.11 C ATOM 416 CE2 PHE A 27 -7.857 6.058 4.184 1.00 11.51 C ATOM 417 CZ PHE A 27 -8.725 5.562 3.239 1.00 11.01 C ATOM 0 H PHE A 27 -6.519 11.869 2.899 1.00 50.34 H new ATOM 0 HA PHE A 27 -9.044 10.673 2.535 1.00 25.12 H new ATOM 0 HB2 PHE A 27 -6.864 9.728 1.865 1.00 34.12 H new ATOM 0 HB3 PHE A 27 -6.340 9.662 3.536 1.00 34.12 H new ATOM 0 HD1 PHE A 27 -8.933 8.249 1.219 1.00 21.04 H new ATOM 0 HD2 PHE A 27 -6.713 7.735 4.822 1.00 71.31 H new ATOM 0 HE1 PHE A 27 -9.760 5.943 1.409 1.00 44.11 H new ATOM 0 HE2 PHE A 27 -7.551 5.440 5.015 1.00 11.51 H new ATOM 0 HZ PHE A 27 -9.116 4.560 3.340 1.00 11.01 H new ATOM 427 N GLN A 28 -8.031 10.784 5.678 1.00 75.23 N ATOM 428 CA GLN A 28 -8.432 10.699 7.099 1.00 4.11 C ATOM 429 C GLN A 28 -9.424 11.830 7.483 1.00 23.43 C ATOM 430 O GLN A 28 -10.109 11.733 8.506 1.00 61.11 O ATOM 431 CB GLN A 28 -7.152 10.728 7.992 1.00 24.23 C ATOM 432 CG GLN A 28 -7.389 10.663 9.519 1.00 64.34 C ATOM 433 CD GLN A 28 -8.143 9.408 10.009 1.00 23.54 C ATOM 434 OE1 GLN A 28 -8.898 9.468 10.978 1.00 64.22 O ATOM 435 NE2 GLN A 28 -7.928 8.259 9.382 1.00 21.31 N ATOM 0 H GLN A 28 -7.065 11.086 5.548 1.00 75.23 H new ATOM 0 HA GLN A 28 -8.960 9.760 7.264 1.00 4.11 H new ATOM 0 HB2 GLN A 28 -6.515 9.890 7.707 1.00 24.23 H new ATOM 0 HB3 GLN A 28 -6.598 11.640 7.769 1.00 24.23 H new ATOM 0 HG2 GLN A 28 -6.424 10.709 10.024 1.00 64.34 H new ATOM 0 HG3 GLN A 28 -7.950 11.547 9.823 1.00 64.34 H new ATOM 0 HE21 GLN A 28 -7.299 8.226 8.580 1.00 21.31 H new ATOM 0 HE22 GLN A 28 -8.392 7.409 9.702 1.00 21.31 H new ATOM 444 N LYS A 29 -9.519 12.898 6.655 1.00 32.25 N ATOM 445 CA LYS A 29 -10.514 13.983 6.872 1.00 31.44 C ATOM 446 C LYS A 29 -11.868 13.580 6.230 1.00 5.13 C ATOM 447 O LYS A 29 -12.842 14.342 6.288 1.00 14.03 O ATOM 448 CB LYS A 29 -10.028 15.353 6.279 1.00 42.15 C ATOM 449 CG LYS A 29 -8.543 15.722 6.517 1.00 52.13 C ATOM 450 CD LYS A 29 -8.102 15.758 7.993 1.00 43.40 C ATOM 451 CE LYS A 29 -8.775 16.879 8.787 1.00 63.13 C ATOM 452 NZ LYS A 29 -8.227 16.981 10.165 1.00 2.51 N ATOM 0 H LYS A 29 -8.925 13.034 5.837 1.00 32.25 H new ATOM 0 HA LYS A 29 -10.635 14.116 7.947 1.00 31.44 H new ATOM 0 HB2 LYS A 29 -10.209 15.343 5.204 1.00 42.15 H new ATOM 0 HB3 LYS A 29 -10.648 16.145 6.699 1.00 42.15 H new ATOM 0 HG2 LYS A 29 -7.918 15.005 5.986 1.00 52.13 H new ATOM 0 HG3 LYS A 29 -8.353 16.700 6.074 1.00 52.13 H new ATOM 0 HD2 LYS A 29 -8.332 14.800 8.459 1.00 43.40 H new ATOM 0 HD3 LYS A 29 -7.020 15.884 8.041 1.00 43.40 H new ATOM 0 HE2 LYS A 29 -8.635 17.827 8.268 1.00 63.13 H new ATOM 0 HE3 LYS A 29 -9.849 16.697 8.835 1.00 63.13 H new ATOM 0 HZ1 LYS A 29 -8.707 17.751 10.673 1.00 2.51 H new ATOM 0 HZ2 LYS A 29 -8.383 16.084 10.668 1.00 2.51 H new ATOM 0 HZ3 LYS A 29 -7.207 17.179 10.119 1.00 2.51 H new ATOM 466 N GLY A 30 -11.907 12.376 5.602 1.00 61.45 N ATOM 467 CA GLY A 30 -13.101 11.871 4.923 1.00 32.13 C ATOM 468 C GLY A 30 -13.050 12.120 3.418 1.00 41.30 C ATOM 469 O GLY A 30 -13.912 11.641 2.678 1.00 62.03 O ATOM 0 H GLY A 30 -11.110 11.741 5.559 1.00 61.45 H new ATOM 0 HA2 GLY A 30 -13.200 10.802 5.111 1.00 32.13 H new ATOM 0 HA3 GLY A 30 -13.986 12.351 5.340 1.00 32.13 H new ATOM 473 N ASP A 31 -12.024 12.862 2.958 1.00 22.04 N ATOM 474 CA ASP A 31 -11.839 13.196 1.537 1.00 23.42 C ATOM 475 C ASP A 31 -10.971 12.131 0.853 1.00 25.22 C ATOM 476 O ASP A 31 -9.769 12.333 0.635 1.00 63.02 O ATOM 477 CB ASP A 31 -11.202 14.596 1.384 1.00 62.43 C ATOM 478 CG ASP A 31 -12.063 15.711 1.983 1.00 13.41 C ATOM 479 OD1 ASP A 31 -13.019 16.168 1.313 1.00 11.33 O ATOM 480 OD2 ASP A 31 -11.811 16.116 3.137 1.00 75.52 O ATOM 0 H ASP A 31 -11.300 13.246 3.565 1.00 22.04 H new ATOM 0 HA ASP A 31 -12.816 13.213 1.054 1.00 23.42 H new ATOM 0 HB2 ASP A 31 -10.225 14.600 1.867 1.00 62.43 H new ATOM 0 HB3 ASP A 31 -11.036 14.800 0.326 1.00 62.43 H new ATOM 485 N TYR A 32 -11.596 10.978 0.560 1.00 31.41 N ATOM 486 CA TYR A 32 -10.945 9.843 -0.135 1.00 31.02 C ATOM 487 C TYR A 32 -10.442 10.248 -1.559 1.00 71.32 C ATOM 488 O TYR A 32 -9.264 10.010 -1.865 1.00 32.51 O ATOM 489 CB TYR A 32 -11.901 8.602 -0.223 1.00 35.14 C ATOM 490 CG TYR A 32 -12.365 7.981 1.117 1.00 63.44 C ATOM 491 CD1 TYR A 32 -12.073 8.555 2.368 1.00 4.41 C ATOM 492 CD2 TYR A 32 -13.107 6.798 1.114 1.00 14.15 C ATOM 493 CE1 TYR A 32 -12.501 7.965 3.544 1.00 30.02 C ATOM 494 CE2 TYR A 32 -13.532 6.214 2.287 1.00 0.23 C ATOM 495 CZ TYR A 32 -13.230 6.798 3.497 1.00 44.22 C ATOM 496 OH TYR A 32 -13.668 6.211 4.663 1.00 75.45 O ATOM 0 H TYR A 32 -12.572 10.802 0.798 1.00 31.41 H new ATOM 0 HA TYR A 32 -10.076 9.563 0.460 1.00 31.02 H new ATOM 0 HB2 TYR A 32 -12.787 8.895 -0.786 1.00 35.14 H new ATOM 0 HB3 TYR A 32 -11.398 7.826 -0.801 1.00 35.14 H new ATOM 0 HD1 TYR A 32 -11.505 9.472 2.411 1.00 4.41 H new ATOM 0 HD2 TYR A 32 -13.353 6.331 0.172 1.00 14.15 H new ATOM 0 HE1 TYR A 32 -12.264 8.418 4.495 1.00 30.02 H new ATOM 0 HE2 TYR A 32 -14.102 5.297 2.258 1.00 0.23 H new ATOM 0 HH TYR A 32 -14.168 5.395 4.451 1.00 75.45 H new ATOM 506 N PRO A 33 -11.299 10.872 -2.464 1.00 1.23 N ATOM 507 CA PRO A 33 -10.847 11.250 -3.816 1.00 31.31 C ATOM 508 C PRO A 33 -9.856 12.429 -3.806 1.00 25.05 C ATOM 509 O PRO A 33 -8.859 12.382 -4.513 1.00 32.15 O ATOM 510 CB PRO A 33 -12.153 11.600 -4.556 1.00 52.23 C ATOM 511 CG PRO A 33 -13.095 12.053 -3.486 1.00 1.34 C ATOM 512 CD PRO A 33 -12.748 11.223 -2.271 1.00 43.34 C ATOM 0 HA PRO A 33 -10.290 10.447 -4.299 1.00 31.31 H new ATOM 0 HB2 PRO A 33 -11.990 12.384 -5.296 1.00 52.23 H new ATOM 0 HB3 PRO A 33 -12.548 10.736 -5.090 1.00 52.23 H new ATOM 0 HG2 PRO A 33 -12.976 13.117 -3.282 1.00 1.34 H new ATOM 0 HG3 PRO A 33 -14.132 11.899 -3.784 1.00 1.34 H new ATOM 0 HD2 PRO A 33 -12.902 11.783 -1.349 1.00 43.34 H new ATOM 0 HD3 PRO A 33 -13.369 10.329 -2.209 1.00 43.34 H new ATOM 520 N GLN A 34 -10.115 13.453 -2.960 1.00 55.23 N ATOM 521 CA GLN A 34 -9.263 14.665 -2.855 1.00 30.51 C ATOM 522 C GLN A 34 -7.837 14.298 -2.416 1.00 13.50 C ATOM 523 O GLN A 34 -6.867 14.899 -2.886 1.00 50.13 O ATOM 524 CB GLN A 34 -9.886 15.675 -1.861 1.00 53.35 C ATOM 525 CG GLN A 34 -11.295 16.177 -2.244 1.00 33.40 C ATOM 526 CD GLN A 34 -11.296 17.210 -3.373 1.00 64.33 C ATOM 527 OE1 GLN A 34 -11.261 18.419 -3.130 1.00 34.24 O ATOM 528 NE2 GLN A 34 -11.317 16.752 -4.611 1.00 71.13 N ATOM 0 H GLN A 34 -10.918 13.464 -2.331 1.00 55.23 H new ATOM 0 HA GLN A 34 -9.208 15.128 -3.840 1.00 30.51 H new ATOM 0 HB2 GLN A 34 -9.937 15.210 -0.877 1.00 53.35 H new ATOM 0 HB3 GLN A 34 -9.221 16.534 -1.774 1.00 53.35 H new ATOM 0 HG2 GLN A 34 -11.905 15.325 -2.543 1.00 33.40 H new ATOM 0 HG3 GLN A 34 -11.767 16.614 -1.364 1.00 33.40 H new ATOM 0 HE21 GLN A 34 -11.346 15.747 -4.783 1.00 71.13 H new ATOM 0 HE22 GLN A 34 -11.304 17.403 -5.396 1.00 71.13 H new ATOM 537 N ALA A 35 -7.738 13.284 -1.531 1.00 41.54 N ATOM 538 CA ALA A 35 -6.453 12.682 -1.127 1.00 65.01 C ATOM 539 C ALA A 35 -5.715 12.115 -2.349 1.00 73.34 C ATOM 540 O ALA A 35 -4.517 12.332 -2.505 1.00 3.41 O ATOM 541 CB ALA A 35 -6.674 11.573 -0.083 1.00 22.35 C ATOM 0 H ALA A 35 -8.547 12.861 -1.077 1.00 41.54 H new ATOM 0 HA ALA A 35 -5.840 13.464 -0.678 1.00 65.01 H new ATOM 0 HB1 ALA A 35 -5.713 11.143 0.200 1.00 22.35 H new ATOM 0 HB2 ALA A 35 -7.157 11.994 0.799 1.00 22.35 H new ATOM 0 HB3 ALA A 35 -7.308 10.795 -0.507 1.00 22.35 H new ATOM 547 N MET A 36 -6.483 11.447 -3.237 1.00 32.11 N ATOM 548 CA MET A 36 -5.950 10.719 -4.407 1.00 13.55 C ATOM 549 C MET A 36 -5.484 11.713 -5.491 1.00 74.31 C ATOM 550 O MET A 36 -4.464 11.497 -6.164 1.00 34.34 O ATOM 551 CB MET A 36 -7.050 9.774 -4.952 1.00 74.51 C ATOM 552 CG MET A 36 -6.642 8.910 -6.140 1.00 72.32 C ATOM 553 SD MET A 36 -8.028 7.969 -6.802 1.00 25.14 S ATOM 554 CE MET A 36 -9.121 9.273 -7.369 1.00 65.24 C ATOM 0 H MET A 36 -7.499 11.398 -3.160 1.00 32.11 H new ATOM 0 HA MET A 36 -5.085 10.126 -4.111 1.00 13.55 H new ATOM 0 HB2 MET A 36 -7.376 9.119 -4.144 1.00 74.51 H new ATOM 0 HB3 MET A 36 -7.911 10.376 -5.241 1.00 74.51 H new ATOM 0 HG2 MET A 36 -6.228 9.544 -6.924 1.00 72.32 H new ATOM 0 HG3 MET A 36 -5.852 8.224 -5.834 1.00 72.32 H new ATOM 0 HE1 MET A 36 -9.788 8.881 -8.137 1.00 65.24 H new ATOM 0 HE2 MET A 36 -9.711 9.644 -6.531 1.00 65.24 H new ATOM 0 HE3 MET A 36 -8.529 10.088 -7.785 1.00 65.24 H new ATOM 564 N LYS A 37 -6.237 12.817 -5.620 1.00 34.05 N ATOM 565 CA LYS A 37 -5.920 13.921 -6.536 1.00 32.40 C ATOM 566 C LYS A 37 -4.713 14.708 -6.015 1.00 64.24 C ATOM 567 O LYS A 37 -3.919 15.249 -6.797 1.00 64.45 O ATOM 568 CB LYS A 37 -7.156 14.851 -6.685 1.00 61.30 C ATOM 569 CG LYS A 37 -8.412 14.140 -7.230 1.00 42.53 C ATOM 570 CD LYS A 37 -9.643 15.071 -7.368 1.00 22.51 C ATOM 571 CE LYS A 37 -10.812 14.398 -8.111 1.00 60.14 C ATOM 572 NZ LYS A 37 -11.334 13.208 -7.398 1.00 13.31 N ATOM 0 H LYS A 37 -7.092 12.968 -5.085 1.00 34.05 H new ATOM 0 HA LYS A 37 -5.668 13.514 -7.515 1.00 32.40 H new ATOM 0 HB2 LYS A 37 -7.390 15.286 -5.713 1.00 61.30 H new ATOM 0 HB3 LYS A 37 -6.900 15.675 -7.350 1.00 61.30 H new ATOM 0 HG2 LYS A 37 -8.181 13.710 -8.205 1.00 42.53 H new ATOM 0 HG3 LYS A 37 -8.666 13.312 -6.568 1.00 42.53 H new ATOM 0 HD2 LYS A 37 -9.976 15.377 -6.376 1.00 22.51 H new ATOM 0 HD3 LYS A 37 -9.352 15.976 -7.900 1.00 22.51 H new ATOM 0 HE2 LYS A 37 -11.618 15.120 -8.242 1.00 60.14 H new ATOM 0 HE3 LYS A 37 -10.482 14.104 -9.107 1.00 60.14 H new ATOM 0 HZ1 LYS A 37 -11.316 12.386 -8.035 1.00 13.31 H new ATOM 0 HZ2 LYS A 37 -10.741 13.014 -6.566 1.00 13.31 H new ATOM 0 HZ3 LYS A 37 -12.312 13.388 -7.092 1.00 13.31 H new ATOM 586 N HIS A 38 -4.600 14.779 -4.678 1.00 71.11 N ATOM 587 CA HIS A 38 -3.471 15.430 -4.009 1.00 71.54 C ATOM 588 C HIS A 38 -2.228 14.527 -4.062 1.00 10.20 C ATOM 589 O HIS A 38 -1.100 15.018 -3.975 1.00 3.41 O ATOM 590 CB HIS A 38 -3.827 15.804 -2.548 1.00 61.14 C ATOM 591 CG HIS A 38 -2.906 16.835 -1.950 1.00 12.14 C ATOM 592 ND1 HIS A 38 -3.229 18.169 -1.849 1.00 40.44 N ATOM 593 CD2 HIS A 38 -1.657 16.722 -1.459 1.00 44.20 C ATOM 594 CE1 HIS A 38 -2.216 18.824 -1.319 1.00 4.03 C ATOM 595 NE2 HIS A 38 -1.253 17.966 -1.066 1.00 52.23 N ATOM 0 H HIS A 38 -5.289 14.387 -4.036 1.00 71.11 H new ATOM 0 HA HIS A 38 -3.246 16.356 -4.538 1.00 71.54 H new ATOM 0 HB2 HIS A 38 -4.850 16.180 -2.517 1.00 61.14 H new ATOM 0 HB3 HIS A 38 -3.799 14.904 -1.934 1.00 61.14 H new ATOM 0 HD2 HIS A 38 -1.079 15.812 -1.389 1.00 44.20 H new ATOM 0 HE1 HIS A 38 -2.183 19.886 -1.125 1.00 4.03 H new ATOM 0 HE2 HIS A 38 -0.352 18.192 -0.645 1.00 52.23 H new ATOM 604 N TYR A 39 -2.433 13.205 -4.189 1.00 72.12 N ATOM 605 CA TYR A 39 -1.320 12.276 -4.425 1.00 64.52 C ATOM 606 C TYR A 39 -0.726 12.515 -5.808 1.00 11.34 C ATOM 607 O TYR A 39 0.478 12.502 -5.942 1.00 73.21 O ATOM 608 CB TYR A 39 -1.718 10.789 -4.250 1.00 32.23 C ATOM 609 CG TYR A 39 -1.961 10.374 -2.793 1.00 31.21 C ATOM 610 CD1 TYR A 39 -1.073 10.739 -1.768 1.00 4.10 C ATOM 611 CD2 TYR A 39 -3.072 9.610 -2.439 1.00 71.31 C ATOM 612 CE1 TYR A 39 -1.307 10.354 -0.461 1.00 74.51 C ATOM 613 CE2 TYR A 39 -3.292 9.231 -1.137 1.00 1.21 C ATOM 614 CZ TYR A 39 -2.420 9.600 -0.164 1.00 61.04 C ATOM 615 OH TYR A 39 -2.655 9.187 1.122 1.00 14.15 O ATOM 0 H TYR A 39 -3.350 12.761 -4.133 1.00 72.12 H new ATOM 0 HA TYR A 39 -0.568 12.481 -3.663 1.00 64.52 H new ATOM 0 HB2 TYR A 39 -2.622 10.595 -4.827 1.00 32.23 H new ATOM 0 HB3 TYR A 39 -0.931 10.162 -4.669 1.00 32.23 H new ATOM 0 HD1 TYR A 39 -0.198 11.327 -2.003 1.00 4.10 H new ATOM 0 HD2 TYR A 39 -3.774 9.310 -3.203 1.00 71.31 H new ATOM 0 HE1 TYR A 39 -0.621 10.643 0.322 1.00 74.51 H new ATOM 0 HE2 TYR A 39 -4.160 8.639 -0.887 1.00 1.21 H new ATOM 0 HH TYR A 39 -3.484 8.666 1.152 1.00 14.15 H new ATOM 625 N THR A 40 -1.570 12.783 -6.817 1.00 12.54 N ATOM 626 CA THR A 40 -1.100 13.013 -8.196 1.00 44.31 C ATOM 627 C THR A 40 -0.085 14.190 -8.257 1.00 24.23 C ATOM 628 O THR A 40 0.991 14.057 -8.856 1.00 43.31 O ATOM 629 CB THR A 40 -2.292 13.292 -9.160 1.00 25.14 C ATOM 630 OG1 THR A 40 -3.310 12.287 -8.987 1.00 43.04 O ATOM 631 CG2 THR A 40 -1.837 13.314 -10.631 1.00 41.41 C ATOM 0 H THR A 40 -2.582 12.846 -6.706 1.00 12.54 H new ATOM 0 HA THR A 40 -0.596 12.102 -8.520 1.00 44.31 H new ATOM 0 HB THR A 40 -2.695 14.274 -8.913 1.00 25.14 H new ATOM 0 HG1 THR A 40 -4.057 12.470 -9.595 1.00 43.04 H new ATOM 0 HG21 THR A 40 -2.695 13.511 -11.274 1.00 41.41 H new ATOM 0 HG22 THR A 40 -1.092 14.097 -10.770 1.00 41.41 H new ATOM 0 HG23 THR A 40 -1.402 12.349 -10.892 1.00 41.41 H new ATOM 639 N GLU A 41 -0.426 15.315 -7.591 1.00 65.03 N ATOM 640 CA GLU A 41 0.458 16.508 -7.512 1.00 75.43 C ATOM 641 C GLU A 41 1.666 16.257 -6.578 1.00 53.43 C ATOM 642 O GLU A 41 2.723 16.878 -6.753 1.00 31.53 O ATOM 643 CB GLU A 41 -0.344 17.756 -7.044 1.00 31.01 C ATOM 644 CG GLU A 41 -0.974 17.617 -5.651 1.00 14.10 C ATOM 645 CD GLU A 41 -1.784 18.836 -5.201 1.00 34.42 C ATOM 646 OE1 GLU A 41 -2.884 19.061 -5.738 1.00 0.14 O ATOM 647 OE2 GLU A 41 -1.337 19.567 -4.294 1.00 12.42 O ATOM 0 H GLU A 41 -1.311 15.426 -7.097 1.00 65.03 H new ATOM 0 HA GLU A 41 0.845 16.699 -8.513 1.00 75.43 H new ATOM 0 HB2 GLU A 41 0.319 18.621 -7.045 1.00 31.01 H new ATOM 0 HB3 GLU A 41 -1.133 17.959 -7.768 1.00 31.01 H new ATOM 0 HG2 GLU A 41 -1.623 16.742 -5.645 1.00 14.10 H new ATOM 0 HG3 GLU A 41 -0.183 17.433 -4.924 1.00 14.10 H new ATOM 654 N ALA A 42 1.491 15.348 -5.588 1.00 32.53 N ATOM 655 CA ALA A 42 2.577 14.922 -4.680 1.00 21.34 C ATOM 656 C ALA A 42 3.638 14.116 -5.455 1.00 1.41 C ATOM 657 O ALA A 42 4.820 14.353 -5.287 1.00 44.42 O ATOM 658 CB ALA A 42 2.029 14.105 -3.489 1.00 0.41 C ATOM 0 H ALA A 42 0.598 14.894 -5.399 1.00 32.53 H new ATOM 0 HA ALA A 42 3.047 15.818 -4.274 1.00 21.34 H new ATOM 0 HB1 ALA A 42 2.854 13.808 -2.841 1.00 0.41 H new ATOM 0 HB2 ALA A 42 1.325 14.715 -2.923 1.00 0.41 H new ATOM 0 HB3 ALA A 42 1.521 13.215 -3.861 1.00 0.41 H new ATOM 664 N ILE A 43 3.181 13.200 -6.345 1.00 34.22 N ATOM 665 CA ILE A 43 4.050 12.315 -7.170 1.00 10.23 C ATOM 666 C ILE A 43 4.975 13.149 -8.100 1.00 21.12 C ATOM 667 O ILE A 43 6.101 12.736 -8.409 1.00 52.41 O ATOM 668 CB ILE A 43 3.172 11.253 -7.997 1.00 24.22 C ATOM 669 CG1 ILE A 43 2.924 9.924 -7.187 1.00 3.42 C ATOM 670 CG2 ILE A 43 3.771 10.906 -9.393 1.00 5.42 C ATOM 671 CD1 ILE A 43 2.077 10.024 -5.934 1.00 15.03 C ATOM 0 H ILE A 43 2.186 13.051 -6.514 1.00 34.22 H new ATOM 0 HA ILE A 43 4.694 11.749 -6.497 1.00 10.23 H new ATOM 0 HB ILE A 43 2.217 11.753 -8.161 1.00 24.22 H new ATOM 0 HG12 ILE A 43 2.454 9.203 -7.856 1.00 3.42 H new ATOM 0 HG13 ILE A 43 3.894 9.513 -6.907 1.00 3.42 H new ATOM 0 HG21 ILE A 43 3.127 10.184 -9.896 1.00 5.42 H new ATOM 0 HG22 ILE A 43 3.839 11.812 -9.995 1.00 5.42 H new ATOM 0 HG23 ILE A 43 4.766 10.479 -9.266 1.00 5.42 H new ATOM 0 HD11 ILE A 43 1.987 9.039 -5.476 1.00 15.03 H new ATOM 0 HD12 ILE A 43 2.548 10.710 -5.230 1.00 15.03 H new ATOM 0 HD13 ILE A 43 1.086 10.395 -6.194 1.00 15.03 H new ATOM 683 N LYS A 44 4.492 14.339 -8.514 1.00 0.22 N ATOM 684 CA LYS A 44 5.273 15.279 -9.352 1.00 53.43 C ATOM 685 C LYS A 44 6.531 15.755 -8.585 1.00 10.12 C ATOM 686 O LYS A 44 7.606 15.953 -9.171 1.00 74.32 O ATOM 687 CB LYS A 44 4.407 16.508 -9.757 1.00 73.41 C ATOM 688 CG LYS A 44 3.010 16.176 -10.339 1.00 75.33 C ATOM 689 CD LYS A 44 3.056 15.264 -11.588 1.00 74.41 C ATOM 690 CE LYS A 44 1.654 14.916 -12.119 1.00 2.31 C ATOM 691 NZ LYS A 44 0.908 16.119 -12.561 1.00 12.44 N ATOM 0 H LYS A 44 3.558 14.675 -8.280 1.00 0.22 H new ATOM 0 HA LYS A 44 5.579 14.756 -10.258 1.00 53.43 H new ATOM 0 HB2 LYS A 44 4.275 17.142 -8.880 1.00 73.41 H new ATOM 0 HB3 LYS A 44 4.959 17.093 -10.493 1.00 73.41 H new ATOM 0 HG2 LYS A 44 2.411 15.691 -9.568 1.00 75.33 H new ATOM 0 HG3 LYS A 44 2.504 17.106 -10.598 1.00 75.33 H new ATOM 0 HD2 LYS A 44 3.626 15.759 -12.374 1.00 74.41 H new ATOM 0 HD3 LYS A 44 3.586 14.344 -11.342 1.00 74.41 H new ATOM 0 HE2 LYS A 44 1.746 14.221 -12.953 1.00 2.31 H new ATOM 0 HE3 LYS A 44 1.088 14.406 -11.339 1.00 2.31 H new ATOM 0 HZ1 LYS A 44 0.021 15.828 -13.019 1.00 12.44 H new ATOM 0 HZ2 LYS A 44 0.693 16.716 -11.737 1.00 12.44 H new ATOM 0 HZ3 LYS A 44 1.486 16.657 -13.237 1.00 12.44 H new ATOM 705 N ARG A 45 6.352 15.926 -7.264 1.00 14.22 N ATOM 706 CA ARG A 45 7.409 16.352 -6.327 1.00 43.33 C ATOM 707 C ARG A 45 8.273 15.143 -5.907 1.00 13.12 C ATOM 708 O ARG A 45 9.503 15.238 -5.833 1.00 31.23 O ATOM 709 CB ARG A 45 6.758 16.998 -5.073 1.00 60.54 C ATOM 710 CG ARG A 45 5.970 18.300 -5.334 1.00 31.15 C ATOM 711 CD ARG A 45 6.879 19.481 -5.718 1.00 41.25 C ATOM 712 NE ARG A 45 6.107 20.707 -5.973 1.00 44.01 N ATOM 713 CZ ARG A 45 6.616 21.950 -6.037 1.00 14.42 C ATOM 714 NH1 ARG A 45 7.924 22.173 -5.860 1.00 73.01 N ATOM 715 NH2 ARG A 45 5.807 22.967 -6.282 1.00 21.40 N ATOM 0 H ARG A 45 5.453 15.770 -6.808 1.00 14.22 H new ATOM 0 HA ARG A 45 8.050 17.082 -6.821 1.00 43.33 H new ATOM 0 HB2 ARG A 45 6.085 16.271 -4.618 1.00 60.54 H new ATOM 0 HB3 ARG A 45 7.541 17.207 -4.344 1.00 60.54 H new ATOM 0 HG2 ARG A 45 5.248 18.128 -6.133 1.00 31.15 H new ATOM 0 HG3 ARG A 45 5.402 18.560 -4.441 1.00 31.15 H new ATOM 0 HD2 ARG A 45 7.595 19.663 -4.917 1.00 41.25 H new ATOM 0 HD3 ARG A 45 7.454 19.222 -6.607 1.00 41.25 H new ATOM 0 HE ARG A 45 5.102 20.606 -6.113 1.00 44.01 H new ATOM 0 HH11 ARG A 45 8.554 21.393 -5.673 1.00 73.01 H new ATOM 0 HH12 ARG A 45 8.291 23.123 -5.912 1.00 73.01 H new ATOM 0 HH21 ARG A 45 4.810 22.804 -6.420 1.00 21.40 H new ATOM 0 HH22 ARG A 45 6.180 23.915 -6.333 1.00 21.40 H new ATOM 729 N ASN A 46 7.608 14.003 -5.645 1.00 11.24 N ATOM 730 CA ASN A 46 8.242 12.776 -5.132 1.00 74.34 C ATOM 731 C ASN A 46 7.910 11.561 -6.035 1.00 14.13 C ATOM 732 O ASN A 46 6.985 10.793 -5.746 1.00 2.53 O ATOM 733 CB ASN A 46 7.860 12.516 -3.631 1.00 63.12 C ATOM 734 CG ASN A 46 6.378 12.722 -3.280 1.00 71.22 C ATOM 735 OD1 ASN A 46 5.987 13.772 -2.771 1.00 54.43 O ATOM 736 ND2 ASN A 46 5.540 11.742 -3.567 1.00 13.40 N ATOM 0 H ASN A 46 6.602 13.908 -5.786 1.00 11.24 H new ATOM 0 HA ASN A 46 9.322 12.918 -5.162 1.00 74.34 H new ATOM 0 HB2 ASN A 46 8.137 11.493 -3.376 1.00 63.12 H new ATOM 0 HB3 ASN A 46 8.459 13.175 -3.002 1.00 63.12 H new ATOM 0 HD21 ASN A 46 4.545 11.847 -3.367 1.00 13.40 H new ATOM 0 HD22 ASN A 46 5.888 10.881 -3.989 1.00 13.40 H new ATOM 743 N PRO A 47 8.655 11.383 -7.178 1.00 42.31 N ATOM 744 CA PRO A 47 8.467 10.221 -8.075 1.00 2.53 C ATOM 745 C PRO A 47 9.083 8.919 -7.501 1.00 21.34 C ATOM 746 O PRO A 47 8.772 7.831 -7.975 1.00 63.53 O ATOM 747 CB PRO A 47 9.174 10.671 -9.376 1.00 61.51 C ATOM 748 CG PRO A 47 10.272 11.576 -8.911 1.00 63.41 C ATOM 749 CD PRO A 47 9.716 12.305 -7.703 1.00 34.44 C ATOM 0 HA PRO A 47 7.417 9.968 -8.220 1.00 2.53 H new ATOM 0 HB2 PRO A 47 9.569 9.819 -9.928 1.00 61.51 H new ATOM 0 HB3 PRO A 47 8.486 11.191 -10.042 1.00 61.51 H new ATOM 0 HG2 PRO A 47 11.164 11.007 -8.649 1.00 63.41 H new ATOM 0 HG3 PRO A 47 10.560 12.278 -9.694 1.00 63.41 H new ATOM 0 HD2 PRO A 47 10.489 12.489 -6.957 1.00 34.44 H new ATOM 0 HD3 PRO A 47 9.301 13.275 -7.978 1.00 34.44 H new ATOM 757 N LYS A 48 9.963 9.046 -6.479 1.00 11.23 N ATOM 758 CA LYS A 48 10.675 7.900 -5.875 1.00 23.50 C ATOM 759 C LYS A 48 9.966 7.359 -4.629 1.00 42.51 C ATOM 760 O LYS A 48 10.212 6.212 -4.231 1.00 33.11 O ATOM 761 CB LYS A 48 12.134 8.304 -5.523 1.00 74.24 C ATOM 762 CG LYS A 48 12.923 8.950 -6.685 1.00 23.24 C ATOM 763 CD LYS A 48 12.952 8.069 -7.958 1.00 51.54 C ATOM 764 CE LYS A 48 13.590 6.687 -7.726 1.00 50.34 C ATOM 765 NZ LYS A 48 14.998 6.792 -7.264 1.00 23.11 N ATOM 0 H LYS A 48 10.197 9.943 -6.053 1.00 11.23 H new ATOM 0 HA LYS A 48 10.682 7.100 -6.615 1.00 23.50 H new ATOM 0 HB2 LYS A 48 12.112 9.001 -4.685 1.00 74.24 H new ATOM 0 HB3 LYS A 48 12.671 7.417 -5.186 1.00 74.24 H new ATOM 0 HG2 LYS A 48 12.478 9.915 -6.927 1.00 23.24 H new ATOM 0 HG3 LYS A 48 13.945 9.143 -6.360 1.00 23.24 H new ATOM 0 HD2 LYS A 48 11.933 7.935 -8.322 1.00 51.54 H new ATOM 0 HD3 LYS A 48 13.504 8.590 -8.740 1.00 51.54 H new ATOM 0 HE2 LYS A 48 13.006 6.138 -6.987 1.00 50.34 H new ATOM 0 HE3 LYS A 48 13.554 6.112 -8.651 1.00 50.34 H new ATOM 0 HZ1 LYS A 48 15.410 5.840 -7.186 1.00 23.11 H new ATOM 0 HZ2 LYS A 48 15.547 7.351 -7.948 1.00 23.11 H new ATOM 0 HZ3 LYS A 48 15.025 7.258 -6.335 1.00 23.11 H new ATOM 779 N ASP A 49 9.103 8.187 -4.010 1.00 52.21 N ATOM 780 CA ASP A 49 8.369 7.811 -2.788 1.00 53.13 C ATOM 781 C ASP A 49 7.224 6.850 -3.124 1.00 50.02 C ATOM 782 O ASP A 49 6.067 7.258 -3.240 1.00 31.32 O ATOM 783 CB ASP A 49 7.848 9.073 -2.042 1.00 2.35 C ATOM 784 CG ASP A 49 8.966 9.858 -1.338 1.00 62.22 C ATOM 785 OD1 ASP A 49 9.804 10.472 -2.028 1.00 75.42 O ATOM 786 OD2 ASP A 49 9.031 9.833 -0.090 1.00 5.33 O ATOM 0 H ASP A 49 8.896 9.129 -4.341 1.00 52.21 H new ATOM 0 HA ASP A 49 9.057 7.294 -2.119 1.00 53.13 H new ATOM 0 HB2 ASP A 49 7.345 9.727 -2.754 1.00 2.35 H new ATOM 0 HB3 ASP A 49 7.104 8.771 -1.305 1.00 2.35 H new ATOM 791 N ALA A 50 7.586 5.560 -3.278 1.00 3.00 N ATOM 792 CA ALA A 50 6.658 4.465 -3.625 1.00 24.21 C ATOM 793 C ALA A 50 5.597 4.232 -2.541 1.00 33.12 C ATOM 794 O ALA A 50 4.572 3.609 -2.807 1.00 30.44 O ATOM 795 CB ALA A 50 7.433 3.178 -3.920 1.00 51.33 C ATOM 0 H ALA A 50 8.549 5.245 -3.162 1.00 3.00 H new ATOM 0 HA ALA A 50 6.124 4.767 -4.526 1.00 24.21 H new ATOM 0 HB1 ALA A 50 6.733 2.382 -4.174 1.00 51.33 H new ATOM 0 HB2 ALA A 50 8.111 3.345 -4.757 1.00 51.33 H new ATOM 0 HB3 ALA A 50 8.007 2.889 -3.040 1.00 51.33 H new ATOM 801 N LYS A 51 5.865 4.721 -1.314 1.00 20.03 N ATOM 802 CA LYS A 51 4.905 4.651 -0.201 1.00 54.01 C ATOM 803 C LYS A 51 3.731 5.644 -0.417 1.00 62.22 C ATOM 804 O LYS A 51 2.630 5.385 0.059 1.00 13.11 O ATOM 805 CB LYS A 51 5.635 4.861 1.167 1.00 21.45 C ATOM 806 CG LYS A 51 6.162 6.298 1.473 1.00 43.11 C ATOM 807 CD LYS A 51 5.132 7.212 2.200 1.00 3.33 C ATOM 808 CE LYS A 51 4.714 6.679 3.576 1.00 44.43 C ATOM 809 NZ LYS A 51 5.862 6.621 4.509 1.00 14.02 N ATOM 0 H LYS A 51 6.747 5.172 -1.070 1.00 20.03 H new ATOM 0 HA LYS A 51 4.465 3.654 -0.175 1.00 54.01 H new ATOM 0 HB2 LYS A 51 4.950 4.574 1.965 1.00 21.45 H new ATOM 0 HB3 LYS A 51 6.480 4.174 1.210 1.00 21.45 H new ATOM 0 HG2 LYS A 51 7.060 6.221 2.086 1.00 43.11 H new ATOM 0 HG3 LYS A 51 6.455 6.773 0.537 1.00 43.11 H new ATOM 0 HD2 LYS A 51 5.560 8.208 2.318 1.00 3.33 H new ATOM 0 HD3 LYS A 51 4.246 7.318 1.574 1.00 3.33 H new ATOM 0 HE2 LYS A 51 3.937 7.319 3.994 1.00 44.43 H new ATOM 0 HE3 LYS A 51 4.283 5.684 3.466 1.00 44.43 H new ATOM 0 HZ1 LYS A 51 5.526 6.354 5.456 1.00 14.02 H new ATOM 0 HZ2 LYS A 51 6.547 5.915 4.173 1.00 14.02 H new ATOM 0 HZ3 LYS A 51 6.320 7.554 4.554 1.00 14.02 H new ATOM 823 N LEU A 52 3.991 6.780 -1.129 1.00 33.11 N ATOM 824 CA LEU A 52 2.929 7.762 -1.530 1.00 42.33 C ATOM 825 C LEU A 52 1.954 7.112 -2.518 1.00 1.14 C ATOM 826 O LEU A 52 0.731 7.303 -2.432 1.00 31.52 O ATOM 827 CB LEU A 52 3.543 9.069 -2.154 1.00 74.11 C ATOM 828 CG LEU A 52 3.717 10.279 -1.182 1.00 42.25 C ATOM 829 CD1 LEU A 52 2.355 10.726 -0.600 1.00 73.42 C ATOM 830 CD2 LEU A 52 4.737 9.975 -0.065 1.00 3.34 C ATOM 0 H LEU A 52 4.927 7.041 -1.439 1.00 33.11 H new ATOM 0 HA LEU A 52 2.391 8.051 -0.627 1.00 42.33 H new ATOM 0 HB2 LEU A 52 4.518 8.823 -2.574 1.00 74.11 H new ATOM 0 HB3 LEU A 52 2.909 9.384 -2.983 1.00 74.11 H new ATOM 0 HG LEU A 52 4.119 11.109 -1.763 1.00 42.25 H new ATOM 0 HD11 LEU A 52 2.506 11.570 0.073 1.00 73.42 H new ATOM 0 HD12 LEU A 52 1.692 11.024 -1.412 1.00 73.42 H new ATOM 0 HD13 LEU A 52 1.905 9.899 -0.050 1.00 73.42 H new ATOM 0 HD21 LEU A 52 4.829 10.842 0.589 1.00 3.34 H new ATOM 0 HD22 LEU A 52 4.397 9.117 0.515 1.00 3.34 H new ATOM 0 HD23 LEU A 52 5.707 9.751 -0.509 1.00 3.34 H new ATOM 842 N TYR A 53 2.537 6.360 -3.457 1.00 21.11 N ATOM 843 CA TYR A 53 1.796 5.527 -4.410 1.00 53.51 C ATOM 844 C TYR A 53 0.968 4.473 -3.646 1.00 22.20 C ATOM 845 O TYR A 53 -0.215 4.278 -3.925 1.00 65.52 O ATOM 846 CB TYR A 53 2.775 4.818 -5.366 1.00 23.12 C ATOM 847 CG TYR A 53 3.592 5.729 -6.300 1.00 10.25 C ATOM 848 CD1 TYR A 53 4.749 6.351 -5.852 1.00 1.44 C ATOM 849 CD2 TYR A 53 3.225 5.942 -7.626 1.00 2.24 C ATOM 850 CE1 TYR A 53 5.511 7.148 -6.673 1.00 62.31 C ATOM 851 CE2 TYR A 53 3.984 6.736 -8.459 1.00 75.22 C ATOM 852 CZ TYR A 53 5.130 7.338 -7.977 1.00 34.12 C ATOM 853 OH TYR A 53 5.891 8.129 -8.800 1.00 13.00 O ATOM 0 H TYR A 53 3.549 6.312 -3.578 1.00 21.11 H new ATOM 0 HA TYR A 53 1.128 6.163 -4.990 1.00 53.51 H new ATOM 0 HB2 TYR A 53 3.470 4.228 -4.769 1.00 23.12 H new ATOM 0 HB3 TYR A 53 2.208 4.118 -5.980 1.00 23.12 H new ATOM 0 HD1 TYR A 53 5.060 6.205 -4.828 1.00 1.44 H new ATOM 0 HD2 TYR A 53 2.329 5.476 -8.009 1.00 2.24 H new ATOM 0 HE1 TYR A 53 6.404 7.622 -6.294 1.00 62.31 H new ATOM 0 HE2 TYR A 53 3.684 6.887 -9.485 1.00 75.22 H new ATOM 0 HH TYR A 53 6.841 7.953 -8.636 1.00 13.00 H new ATOM 863 N SER A 54 1.627 3.820 -2.663 1.00 20.41 N ATOM 864 CA SER A 54 1.027 2.768 -1.812 1.00 25.20 C ATOM 865 C SER A 54 -0.124 3.318 -0.939 1.00 74.33 C ATOM 866 O SER A 54 -1.044 2.569 -0.583 1.00 15.12 O ATOM 867 CB SER A 54 2.111 2.127 -0.909 1.00 42.54 C ATOM 868 OG SER A 54 1.562 1.167 -0.017 1.00 44.42 O ATOM 0 H SER A 54 2.603 4.011 -2.435 1.00 20.41 H new ATOM 0 HA SER A 54 0.609 2.011 -2.476 1.00 25.20 H new ATOM 0 HB2 SER A 54 2.867 1.651 -1.533 1.00 42.54 H new ATOM 0 HB3 SER A 54 2.614 2.907 -0.337 1.00 42.54 H new ATOM 0 HG SER A 54 1.875 1.350 0.893 1.00 44.42 H new ATOM 874 N ASN A 55 -0.047 4.617 -0.578 1.00 74.11 N ATOM 875 CA ASN A 55 -1.121 5.311 0.171 1.00 73.54 C ATOM 876 C ASN A 55 -2.364 5.471 -0.718 1.00 23.32 C ATOM 877 O ASN A 55 -3.498 5.317 -0.256 1.00 73.33 O ATOM 878 CB ASN A 55 -0.674 6.718 0.661 1.00 51.13 C ATOM 879 CG ASN A 55 0.422 6.738 1.724 1.00 51.45 C ATOM 880 OD1 ASN A 55 0.559 5.815 2.522 1.00 60.32 O ATOM 881 ND2 ASN A 55 1.182 7.828 1.765 1.00 63.35 N ATOM 0 H ASN A 55 0.753 5.211 -0.794 1.00 74.11 H new ATOM 0 HA ASN A 55 -1.351 4.698 1.043 1.00 73.54 H new ATOM 0 HB2 ASN A 55 -0.327 7.288 -0.201 1.00 51.13 H new ATOM 0 HB3 ASN A 55 -1.547 7.237 1.057 1.00 51.13 H new ATOM 0 HD21 ASN A 55 1.908 7.917 2.476 1.00 63.35 H new ATOM 0 HD22 ASN A 55 1.039 8.575 1.085 1.00 63.35 H new ATOM 888 N ARG A 56 -2.119 5.799 -1.996 1.00 24.23 N ATOM 889 CA ARG A 56 -3.167 5.937 -3.019 1.00 24.33 C ATOM 890 C ARG A 56 -3.825 4.567 -3.300 1.00 14.43 C ATOM 891 O ARG A 56 -5.049 4.469 -3.453 1.00 23.35 O ATOM 892 CB ARG A 56 -2.539 6.542 -4.299 1.00 61.53 C ATOM 893 CG ARG A 56 -3.523 6.816 -5.455 1.00 70.34 C ATOM 894 CD ARG A 56 -2.836 7.474 -6.671 1.00 12.01 C ATOM 895 NE ARG A 56 -3.666 7.435 -7.890 1.00 3.51 N ATOM 896 CZ ARG A 56 -3.196 7.264 -9.147 1.00 22.24 C ATOM 897 NH1 ARG A 56 -1.889 7.129 -9.379 1.00 52.55 N ATOM 898 NH2 ARG A 56 -4.043 7.213 -10.165 1.00 31.45 N ATOM 0 H ARG A 56 -1.180 5.977 -2.351 1.00 24.23 H new ATOM 0 HA ARG A 56 -3.952 6.605 -2.664 1.00 24.33 H new ATOM 0 HB2 ARG A 56 -2.047 7.478 -4.034 1.00 61.53 H new ATOM 0 HB3 ARG A 56 -1.764 5.865 -4.658 1.00 61.53 H new ATOM 0 HG2 ARG A 56 -3.984 5.878 -5.765 1.00 70.34 H new ATOM 0 HG3 ARG A 56 -4.325 7.464 -5.100 1.00 70.34 H new ATOM 0 HD2 ARG A 56 -2.600 8.511 -6.431 1.00 12.01 H new ATOM 0 HD3 ARG A 56 -1.890 6.968 -6.865 1.00 12.01 H new ATOM 0 HE ARG A 56 -4.674 7.546 -7.776 1.00 3.51 H new ATOM 0 HH11 ARG A 56 -1.228 7.154 -8.603 1.00 52.55 H new ATOM 0 HH12 ARG A 56 -1.551 7.001 -10.333 1.00 52.55 H new ATOM 0 HH21 ARG A 56 -5.045 7.303 -9.999 1.00 31.45 H new ATOM 0 HH22 ARG A 56 -3.692 7.084 -11.114 1.00 31.45 H new ATOM 912 N ALA A 57 -2.984 3.515 -3.321 1.00 21.13 N ATOM 913 CA ALA A 57 -3.421 2.113 -3.460 1.00 15.53 C ATOM 914 C ALA A 57 -4.264 1.678 -2.234 1.00 31.01 C ATOM 915 O ALA A 57 -5.219 0.901 -2.361 1.00 52.54 O ATOM 916 CB ALA A 57 -2.190 1.203 -3.637 1.00 23.21 C ATOM 0 H ALA A 57 -1.972 3.616 -3.241 1.00 21.13 H new ATOM 0 HA ALA A 57 -4.053 2.022 -4.343 1.00 15.53 H new ATOM 0 HB1 ALA A 57 -2.515 0.168 -3.740 1.00 23.21 H new ATOM 0 HB2 ALA A 57 -1.642 1.502 -4.531 1.00 23.21 H new ATOM 0 HB3 ALA A 57 -1.541 1.295 -2.766 1.00 23.21 H new ATOM 922 N ALA A 58 -3.891 2.216 -1.049 1.00 73.34 N ATOM 923 CA ALA A 58 -4.613 1.993 0.228 1.00 1.12 C ATOM 924 C ALA A 58 -5.954 2.754 0.260 1.00 24.02 C ATOM 925 O ALA A 58 -6.848 2.408 1.041 1.00 51.12 O ATOM 926 CB ALA A 58 -3.730 2.399 1.424 1.00 31.33 C ATOM 0 H ALA A 58 -3.076 2.821 -0.951 1.00 73.34 H new ATOM 0 HA ALA A 58 -4.836 0.929 0.303 1.00 1.12 H new ATOM 0 HB1 ALA A 58 -4.275 2.229 2.353 1.00 31.33 H new ATOM 0 HB2 ALA A 58 -2.819 1.801 1.423 1.00 31.33 H new ATOM 0 HB3 ALA A 58 -3.471 3.455 1.343 1.00 31.33 H new ATOM 932 N CYS A 59 -6.067 3.813 -0.563 1.00 40.02 N ATOM 933 CA CYS A 59 -7.343 4.520 -0.785 1.00 64.20 C ATOM 934 C CYS A 59 -8.234 3.689 -1.733 1.00 43.55 C ATOM 935 O CYS A 59 -9.442 3.539 -1.492 1.00 73.23 O ATOM 936 CB CYS A 59 -7.086 5.939 -1.348 1.00 14.15 C ATOM 937 SG CYS A 59 -6.021 6.958 -0.301 1.00 70.24 S ATOM 0 H CYS A 59 -5.284 4.200 -1.089 1.00 40.02 H new ATOM 0 HA CYS A 59 -7.864 4.636 0.165 1.00 64.20 H new ATOM 0 HB2 CYS A 59 -6.632 5.851 -2.335 1.00 14.15 H new ATOM 0 HB3 CYS A 59 -8.042 6.446 -1.480 1.00 14.15 H new ATOM 0 HG CYS A 59 -4.820 6.462 -0.291 1.00 70.24 H new ATOM 943 N TYR A 60 -7.610 3.105 -2.783 1.00 43.10 N ATOM 944 CA TYR A 60 -8.307 2.254 -3.780 1.00 31.02 C ATOM 945 C TYR A 60 -8.976 1.010 -3.172 1.00 23.34 C ATOM 946 O TYR A 60 -9.879 0.447 -3.794 1.00 53.42 O ATOM 947 CB TYR A 60 -7.344 1.834 -4.923 1.00 41.41 C ATOM 948 CG TYR A 60 -6.999 2.978 -5.888 1.00 65.22 C ATOM 949 CD1 TYR A 60 -8.007 3.814 -6.380 1.00 62.35 C ATOM 950 CD2 TYR A 60 -5.689 3.222 -6.317 1.00 20.04 C ATOM 951 CE1 TYR A 60 -7.721 4.843 -7.242 1.00 4.21 C ATOM 952 CE2 TYR A 60 -5.407 4.255 -7.185 1.00 75.12 C ATOM 953 CZ TYR A 60 -6.426 5.058 -7.642 1.00 2.54 C ATOM 954 OH TYR A 60 -6.154 6.096 -8.498 1.00 43.30 O ATOM 0 H TYR A 60 -6.612 3.209 -2.964 1.00 43.10 H new ATOM 0 HA TYR A 60 -9.108 2.873 -4.184 1.00 31.02 H new ATOM 0 HB2 TYR A 60 -6.423 1.447 -4.487 1.00 41.41 H new ATOM 0 HB3 TYR A 60 -7.797 1.018 -5.487 1.00 41.41 H new ATOM 0 HD1 TYR A 60 -9.030 3.647 -6.076 1.00 62.35 H new ATOM 0 HD2 TYR A 60 -4.887 2.591 -5.963 1.00 20.04 H new ATOM 0 HE1 TYR A 60 -8.513 5.482 -7.604 1.00 4.21 H new ATOM 0 HE2 TYR A 60 -4.391 4.433 -7.505 1.00 75.12 H new ATOM 0 HH TYR A 60 -6.640 6.896 -8.207 1.00 43.30 H new ATOM 964 N THR A 61 -8.537 0.579 -1.978 1.00 34.30 N ATOM 965 CA THR A 61 -9.214 -0.503 -1.240 1.00 70.24 C ATOM 966 C THR A 61 -10.627 -0.032 -0.821 1.00 64.22 C ATOM 967 O THR A 61 -11.620 -0.746 -1.015 1.00 13.24 O ATOM 968 CB THR A 61 -8.396 -0.953 0.017 1.00 60.43 C ATOM 969 OG1 THR A 61 -8.338 0.113 0.979 1.00 44.23 O ATOM 970 CG2 THR A 61 -6.960 -1.393 -0.360 1.00 30.25 C ATOM 0 H THR A 61 -7.719 0.961 -1.503 1.00 34.30 H new ATOM 0 HA THR A 61 -9.293 -1.367 -1.900 1.00 70.24 H new ATOM 0 HB THR A 61 -8.909 -1.811 0.451 1.00 60.43 H new ATOM 0 HG1 THR A 61 -7.688 0.784 0.685 1.00 44.23 H new ATOM 0 HG21 THR A 61 -6.425 -1.698 0.539 1.00 30.25 H new ATOM 0 HG22 THR A 61 -7.007 -2.231 -1.056 1.00 30.25 H new ATOM 0 HG23 THR A 61 -6.436 -0.561 -0.829 1.00 30.25 H new ATOM 978 N LYS A 62 -10.700 1.234 -0.352 1.00 33.33 N ATOM 979 CA LYS A 62 -11.947 1.865 0.144 1.00 13.04 C ATOM 980 C LYS A 62 -12.860 2.268 -1.021 1.00 75.10 C ATOM 981 O LYS A 62 -14.066 2.472 -0.840 1.00 73.24 O ATOM 982 CB LYS A 62 -11.591 3.105 1.005 1.00 31.32 C ATOM 983 CG LYS A 62 -10.701 2.785 2.225 1.00 40.30 C ATOM 984 CD LYS A 62 -11.405 1.903 3.277 1.00 31.21 C ATOM 985 CE LYS A 62 -12.595 2.612 3.944 1.00 3.12 C ATOM 986 NZ LYS A 62 -13.314 1.713 4.881 1.00 35.52 N ATOM 0 H LYS A 62 -9.890 1.852 -0.306 1.00 33.33 H new ATOM 0 HA LYS A 62 -12.487 1.142 0.756 1.00 13.04 H new ATOM 0 HB2 LYS A 62 -11.081 3.836 0.378 1.00 31.32 H new ATOM 0 HB3 LYS A 62 -12.513 3.571 1.353 1.00 31.32 H new ATOM 0 HG2 LYS A 62 -9.797 2.281 1.884 1.00 40.30 H new ATOM 0 HG3 LYS A 62 -10.389 3.718 2.693 1.00 40.30 H new ATOM 0 HD2 LYS A 62 -11.753 0.986 2.802 1.00 31.21 H new ATOM 0 HD3 LYS A 62 -10.685 1.612 4.042 1.00 31.21 H new ATOM 0 HE2 LYS A 62 -12.240 3.490 4.483 1.00 3.12 H new ATOM 0 HE3 LYS A 62 -13.284 2.965 3.177 1.00 3.12 H new ATOM 0 HZ1 LYS A 62 -14.110 2.225 5.312 1.00 35.52 H new ATOM 0 HZ2 LYS A 62 -13.674 0.887 4.362 1.00 35.52 H new ATOM 0 HZ3 LYS A 62 -12.662 1.396 5.627 1.00 35.52 H new ATOM 1000 N LEU A 63 -12.246 2.395 -2.205 1.00 41.45 N ATOM 1001 CA LEU A 63 -12.943 2.649 -3.473 1.00 14.13 C ATOM 1002 C LEU A 63 -13.242 1.321 -4.206 1.00 32.13 C ATOM 1003 O LEU A 63 -13.826 1.338 -5.292 1.00 20.04 O ATOM 1004 CB LEU A 63 -12.074 3.603 -4.341 1.00 74.13 C ATOM 1005 CG LEU A 63 -11.684 4.965 -3.660 1.00 63.34 C ATOM 1006 CD1 LEU A 63 -10.769 5.821 -4.571 1.00 34.33 C ATOM 1007 CD2 LEU A 63 -12.945 5.750 -3.202 1.00 45.34 C ATOM 0 H LEU A 63 -11.234 2.323 -2.310 1.00 41.45 H new ATOM 0 HA LEU A 63 -13.903 3.127 -3.280 1.00 14.13 H new ATOM 0 HB2 LEU A 63 -11.159 3.081 -4.620 1.00 74.13 H new ATOM 0 HB3 LEU A 63 -12.612 3.819 -5.264 1.00 74.13 H new ATOM 0 HG LEU A 63 -11.107 4.730 -2.766 1.00 63.34 H new ATOM 0 HD11 LEU A 63 -10.522 6.754 -4.065 1.00 34.33 H new ATOM 0 HD12 LEU A 63 -9.853 5.271 -4.786 1.00 34.33 H new ATOM 0 HD13 LEU A 63 -11.288 6.041 -5.504 1.00 34.33 H new ATOM 0 HD21 LEU A 63 -12.641 6.687 -2.735 1.00 45.34 H new ATOM 0 HD22 LEU A 63 -13.575 5.963 -4.066 1.00 45.34 H new ATOM 0 HD23 LEU A 63 -13.505 5.152 -2.483 1.00 45.34 H new ATOM 1019 N LEU A 64 -12.818 0.180 -3.587 1.00 14.45 N ATOM 1020 CA LEU A 64 -13.046 -1.207 -4.095 1.00 2.12 C ATOM 1021 C LEU A 64 -12.333 -1.478 -5.450 1.00 33.24 C ATOM 1022 O LEU A 64 -12.557 -2.516 -6.087 1.00 53.11 O ATOM 1023 CB LEU A 64 -14.574 -1.560 -4.156 1.00 44.23 C ATOM 1024 CG LEU A 64 -15.303 -1.828 -2.789 1.00 0.12 C ATOM 1025 CD1 LEU A 64 -14.648 -2.995 -2.013 1.00 55.34 C ATOM 1026 CD2 LEU A 64 -15.391 -0.558 -1.912 1.00 51.33 C ATOM 0 H LEU A 64 -12.301 0.199 -2.708 1.00 14.45 H new ATOM 0 HA LEU A 64 -12.586 -1.879 -3.370 1.00 2.12 H new ATOM 0 HB2 LEU A 64 -15.090 -0.743 -4.660 1.00 44.23 H new ATOM 0 HB3 LEU A 64 -14.692 -2.445 -4.781 1.00 44.23 H new ATOM 0 HG LEU A 64 -16.324 -2.120 -3.034 1.00 0.12 H new ATOM 0 HD11 LEU A 64 -15.179 -3.151 -1.074 1.00 55.34 H new ATOM 0 HD12 LEU A 64 -14.697 -3.904 -2.613 1.00 55.34 H new ATOM 0 HD13 LEU A 64 -13.606 -2.754 -1.805 1.00 55.34 H new ATOM 0 HD21 LEU A 64 -15.903 -0.795 -0.979 1.00 51.33 H new ATOM 0 HD22 LEU A 64 -14.386 -0.197 -1.693 1.00 51.33 H new ATOM 0 HD23 LEU A 64 -15.946 0.214 -2.445 1.00 51.33 H new ATOM 1038 N GLU A 65 -11.426 -0.563 -5.838 1.00 62.21 N ATOM 1039 CA GLU A 65 -10.617 -0.664 -7.064 1.00 63.20 C ATOM 1040 C GLU A 65 -9.266 -1.323 -6.744 1.00 3.43 C ATOM 1041 O GLU A 65 -8.194 -0.760 -7.021 1.00 61.24 O ATOM 1042 CB GLU A 65 -10.419 0.748 -7.668 1.00 75.42 C ATOM 1043 CG GLU A 65 -11.724 1.451 -8.051 1.00 33.33 C ATOM 1044 CD GLU A 65 -11.490 2.854 -8.605 1.00 73.12 C ATOM 1045 OE1 GLU A 65 -11.340 3.798 -7.798 1.00 14.42 O ATOM 1046 OE2 GLU A 65 -11.441 3.020 -9.844 1.00 11.44 O ATOM 0 H GLU A 65 -11.232 0.281 -5.299 1.00 62.21 H new ATOM 0 HA GLU A 65 -11.132 -1.285 -7.797 1.00 63.20 H new ATOM 0 HB2 GLU A 65 -9.882 1.367 -6.949 1.00 75.42 H new ATOM 0 HB3 GLU A 65 -9.788 0.668 -8.553 1.00 75.42 H new ATOM 0 HG2 GLU A 65 -12.251 0.853 -8.795 1.00 33.33 H new ATOM 0 HG3 GLU A 65 -12.371 1.512 -7.176 1.00 33.33 H new ATOM 1053 N PHE A 66 -9.341 -2.540 -6.173 1.00 23.31 N ATOM 1054 CA PHE A 66 -8.158 -3.362 -5.845 1.00 12.44 C ATOM 1055 C PHE A 66 -7.307 -3.630 -7.100 1.00 3.14 C ATOM 1056 O PHE A 66 -6.103 -3.816 -6.992 1.00 61.14 O ATOM 1057 CB PHE A 66 -8.583 -4.697 -5.182 1.00 21.30 C ATOM 1058 CG PHE A 66 -9.219 -4.547 -3.789 1.00 5.34 C ATOM 1059 CD1 PHE A 66 -10.566 -4.211 -3.638 1.00 45.32 C ATOM 1060 CD2 PHE A 66 -8.460 -4.731 -2.632 1.00 2.25 C ATOM 1061 CE1 PHE A 66 -11.133 -4.081 -2.377 1.00 60.23 C ATOM 1062 CE2 PHE A 66 -9.026 -4.601 -1.375 1.00 75.01 C ATOM 1063 CZ PHE A 66 -10.361 -4.268 -1.246 1.00 64.30 C ATOM 0 H PHE A 66 -10.226 -2.983 -5.925 1.00 23.31 H new ATOM 0 HA PHE A 66 -7.549 -2.803 -5.134 1.00 12.44 H new ATOM 0 HB2 PHE A 66 -9.291 -5.204 -5.838 1.00 21.30 H new ATOM 0 HB3 PHE A 66 -7.708 -5.341 -5.100 1.00 21.30 H new ATOM 0 HD1 PHE A 66 -11.176 -4.050 -4.515 1.00 45.32 H new ATOM 0 HD2 PHE A 66 -7.413 -4.979 -2.719 1.00 2.25 H new ATOM 0 HE1 PHE A 66 -12.180 -3.833 -2.280 1.00 60.23 H new ATOM 0 HE2 PHE A 66 -8.423 -4.760 -0.493 1.00 75.01 H new ATOM 0 HZ PHE A 66 -10.799 -4.154 -0.265 1.00 64.30 H new ATOM 1073 N GLN A 67 -7.966 -3.611 -8.280 1.00 4.34 N ATOM 1074 CA GLN A 67 -7.307 -3.703 -9.603 1.00 34.30 C ATOM 1075 C GLN A 67 -6.169 -2.675 -9.738 1.00 43.04 C ATOM 1076 O GLN A 67 -5.075 -2.995 -10.226 1.00 35.20 O ATOM 1077 CB GLN A 67 -8.349 -3.463 -10.733 1.00 61.12 C ATOM 1078 CG GLN A 67 -9.487 -4.499 -10.792 1.00 61.25 C ATOM 1079 CD GLN A 67 -8.989 -5.923 -11.054 1.00 43.42 C ATOM 1080 OE1 GLN A 67 -8.704 -6.664 -9.993 1.00 11.01 O flip ATOM 1081 NE2 GLN A 67 -8.862 -6.350 -12.201 1.00 0.44 N flip ATOM 0 H GLN A 67 -8.981 -3.531 -8.342 1.00 4.34 H new ATOM 0 HA GLN A 67 -6.882 -4.703 -9.693 1.00 34.30 H new ATOM 0 HB2 GLN A 67 -8.785 -2.472 -10.602 1.00 61.12 H new ATOM 0 HB3 GLN A 67 -7.830 -3.459 -11.692 1.00 61.12 H new ATOM 0 HG2 GLN A 67 -10.037 -4.480 -9.851 1.00 61.25 H new ATOM 0 HG3 GLN A 67 -10.188 -4.215 -11.577 1.00 61.25 H new ATOM 0 HE21 GLN A 67 -9.090 -5.753 -12.996 1.00 0.44 H new ATOM 0 HE22 GLN A 67 -8.528 -7.301 -12.357 1.00 0.44 H new ATOM 1090 N LEU A 68 -6.450 -1.443 -9.273 1.00 60.21 N ATOM 1091 CA LEU A 68 -5.512 -0.316 -9.349 1.00 52.54 C ATOM 1092 C LEU A 68 -4.434 -0.456 -8.272 1.00 31.10 C ATOM 1093 O LEU A 68 -3.275 -0.134 -8.512 1.00 44.33 O ATOM 1094 CB LEU A 68 -6.270 1.030 -9.213 1.00 61.24 C ATOM 1095 CG LEU A 68 -7.446 1.252 -10.219 1.00 34.32 C ATOM 1096 CD1 LEU A 68 -8.004 2.691 -10.133 1.00 62.42 C ATOM 1097 CD2 LEU A 68 -7.036 0.891 -11.662 1.00 3.22 C ATOM 0 H LEU A 68 -7.339 -1.204 -8.833 1.00 60.21 H new ATOM 0 HA LEU A 68 -5.023 -0.326 -10.323 1.00 52.54 H new ATOM 0 HB2 LEU A 68 -6.665 1.102 -8.200 1.00 61.24 H new ATOM 0 HB3 LEU A 68 -5.554 1.843 -9.335 1.00 61.24 H new ATOM 0 HG LEU A 68 -8.249 0.574 -9.930 1.00 34.32 H new ATOM 0 HD11 LEU A 68 -8.820 2.808 -10.846 1.00 62.42 H new ATOM 0 HD12 LEU A 68 -8.374 2.878 -9.125 1.00 62.42 H new ATOM 0 HD13 LEU A 68 -7.212 3.403 -10.367 1.00 62.42 H new ATOM 0 HD21 LEU A 68 -7.879 1.058 -12.332 1.00 3.22 H new ATOM 0 HD22 LEU A 68 -6.198 1.517 -11.970 1.00 3.22 H new ATOM 0 HD23 LEU A 68 -6.741 -0.157 -11.705 1.00 3.22 H new ATOM 1109 N ALA A 69 -4.839 -0.969 -7.096 1.00 30.21 N ATOM 1110 CA ALA A 69 -3.926 -1.225 -5.957 1.00 61.02 C ATOM 1111 C ALA A 69 -2.847 -2.284 -6.305 1.00 50.44 C ATOM 1112 O ALA A 69 -1.703 -2.197 -5.837 1.00 71.43 O ATOM 1113 CB ALA A 69 -4.734 -1.657 -4.716 1.00 10.00 C ATOM 0 H ALA A 69 -5.809 -1.219 -6.904 1.00 30.21 H new ATOM 0 HA ALA A 69 -3.403 -0.295 -5.735 1.00 61.02 H new ATOM 0 HB1 ALA A 69 -4.053 -1.843 -3.885 1.00 10.00 H new ATOM 0 HB2 ALA A 69 -5.433 -0.866 -4.443 1.00 10.00 H new ATOM 0 HB3 ALA A 69 -5.288 -2.568 -4.942 1.00 10.00 H new ATOM 1119 N LEU A 70 -3.241 -3.284 -7.122 1.00 32.43 N ATOM 1120 CA LEU A 70 -2.339 -4.355 -7.602 1.00 42.32 C ATOM 1121 C LEU A 70 -1.266 -3.778 -8.557 1.00 2.11 C ATOM 1122 O LEU A 70 -0.061 -3.854 -8.284 1.00 72.44 O ATOM 1123 CB LEU A 70 -3.164 -5.457 -8.334 1.00 23.41 C ATOM 1124 CG LEU A 70 -4.242 -6.210 -7.488 1.00 54.24 C ATOM 1125 CD1 LEU A 70 -5.200 -7.018 -8.390 1.00 51.54 C ATOM 1126 CD2 LEU A 70 -3.603 -7.104 -6.405 1.00 25.14 C ATOM 0 H LEU A 70 -4.196 -3.372 -7.469 1.00 32.43 H new ATOM 0 HA LEU A 70 -1.836 -4.795 -6.741 1.00 42.32 H new ATOM 0 HB2 LEU A 70 -3.662 -4.997 -9.188 1.00 23.41 H new ATOM 0 HB3 LEU A 70 -2.467 -6.195 -8.731 1.00 23.41 H new ATOM 0 HG LEU A 70 -4.831 -5.452 -6.972 1.00 54.24 H new ATOM 0 HD11 LEU A 70 -5.937 -7.530 -7.771 1.00 51.54 H new ATOM 0 HD12 LEU A 70 -5.709 -6.342 -9.077 1.00 51.54 H new ATOM 0 HD13 LEU A 70 -4.631 -7.753 -8.959 1.00 51.54 H new ATOM 0 HD21 LEU A 70 -4.387 -7.609 -5.841 1.00 25.14 H new ATOM 0 HD22 LEU A 70 -2.961 -7.847 -6.879 1.00 25.14 H new ATOM 0 HD23 LEU A 70 -3.008 -6.489 -5.730 1.00 25.14 H new ATOM 1138 N LYS A 71 -1.735 -3.178 -9.672 1.00 34.04 N ATOM 1139 CA LYS A 71 -0.859 -2.673 -10.753 1.00 23.11 C ATOM 1140 C LYS A 71 0.025 -1.507 -10.271 1.00 14.24 C ATOM 1141 O LYS A 71 1.160 -1.348 -10.751 1.00 5.02 O ATOM 1142 CB LYS A 71 -1.697 -2.253 -11.994 1.00 23.14 C ATOM 1143 CG LYS A 71 -2.668 -1.073 -11.756 1.00 64.42 C ATOM 1144 CD LYS A 71 -3.434 -0.652 -13.029 1.00 44.42 C ATOM 1145 CE LYS A 71 -2.511 -0.134 -14.147 1.00 44.00 C ATOM 1146 NZ LYS A 71 -3.272 0.190 -15.380 1.00 41.23 N ATOM 0 H LYS A 71 -2.729 -3.030 -9.849 1.00 34.04 H new ATOM 0 HA LYS A 71 -0.197 -3.488 -11.045 1.00 23.11 H new ATOM 0 HB2 LYS A 71 -1.015 -1.986 -12.801 1.00 23.14 H new ATOM 0 HB3 LYS A 71 -2.272 -3.114 -12.334 1.00 23.14 H new ATOM 0 HG2 LYS A 71 -3.385 -1.350 -10.983 1.00 64.42 H new ATOM 0 HG3 LYS A 71 -2.106 -0.219 -11.378 1.00 64.42 H new ATOM 0 HD2 LYS A 71 -4.003 -1.504 -13.402 1.00 44.42 H new ATOM 0 HD3 LYS A 71 -4.154 0.125 -12.772 1.00 44.42 H new ATOM 0 HE2 LYS A 71 -1.983 0.755 -13.801 1.00 44.00 H new ATOM 0 HE3 LYS A 71 -1.755 -0.886 -14.373 1.00 44.00 H new ATOM 0 HZ1 LYS A 71 -2.618 0.536 -16.111 1.00 41.23 H new ATOM 0 HZ2 LYS A 71 -3.756 -0.664 -15.724 1.00 41.23 H new ATOM 0 HZ3 LYS A 71 -3.976 0.926 -15.170 1.00 41.23 H new ATOM 1160 N ASP A 72 -0.507 -0.709 -9.317 1.00 24.14 N ATOM 1161 CA ASP A 72 0.252 0.358 -8.641 1.00 2.51 C ATOM 1162 C ASP A 72 1.424 -0.264 -7.870 1.00 41.30 C ATOM 1163 O ASP A 72 2.552 0.185 -7.992 1.00 24.34 O ATOM 1164 CB ASP A 72 -0.661 1.179 -7.692 1.00 62.13 C ATOM 1165 CG ASP A 72 0.075 2.304 -6.942 1.00 42.34 C ATOM 1166 OD1 ASP A 72 0.231 3.413 -7.506 1.00 4.03 O ATOM 1167 OD2 ASP A 72 0.529 2.065 -5.802 1.00 4.12 O ATOM 0 H ASP A 72 -1.472 -0.790 -8.998 1.00 24.14 H new ATOM 0 HA ASP A 72 0.641 1.046 -9.392 1.00 2.51 H new ATOM 0 HB2 ASP A 72 -1.475 1.614 -8.272 1.00 62.13 H new ATOM 0 HB3 ASP A 72 -1.113 0.505 -6.964 1.00 62.13 H new ATOM 1172 N CYS A 73 1.151 -1.346 -7.120 1.00 55.33 N ATOM 1173 CA CYS A 73 2.196 -2.081 -6.375 1.00 71.22 C ATOM 1174 C CYS A 73 3.254 -2.679 -7.336 1.00 64.21 C ATOM 1175 O CYS A 73 4.437 -2.727 -6.999 1.00 31.35 O ATOM 1176 CB CYS A 73 1.568 -3.185 -5.496 1.00 64.11 C ATOM 1177 SG CYS A 73 2.753 -4.138 -4.510 1.00 14.44 S ATOM 0 H CYS A 73 0.214 -1.734 -7.012 1.00 55.33 H new ATOM 0 HA CYS A 73 2.702 -1.370 -5.722 1.00 71.22 H new ATOM 0 HB2 CYS A 73 0.843 -2.726 -4.823 1.00 64.11 H new ATOM 0 HB3 CYS A 73 1.016 -3.871 -6.138 1.00 64.11 H new ATOM 0 HG CYS A 73 3.728 -3.364 -4.136 1.00 14.44 H new ATOM 1183 N GLU A 74 2.815 -3.103 -8.543 1.00 63.42 N ATOM 1184 CA GLU A 74 3.714 -3.713 -9.562 1.00 41.45 C ATOM 1185 C GLU A 74 4.690 -2.702 -10.206 1.00 41.10 C ATOM 1186 O GLU A 74 5.781 -3.097 -10.635 1.00 50.13 O ATOM 1187 CB GLU A 74 2.884 -4.431 -10.661 1.00 43.22 C ATOM 1188 CG GLU A 74 1.940 -5.532 -10.136 1.00 51.42 C ATOM 1189 CD GLU A 74 2.654 -6.622 -9.318 1.00 63.12 C ATOM 1190 OE1 GLU A 74 2.824 -6.459 -8.090 1.00 33.33 O ATOM 1191 OE2 GLU A 74 3.059 -7.649 -9.894 1.00 24.43 O ATOM 0 H GLU A 74 1.842 -3.036 -8.840 1.00 63.42 H new ATOM 0 HA GLU A 74 4.327 -4.440 -9.030 1.00 41.45 H new ATOM 0 HB2 GLU A 74 2.292 -3.687 -11.195 1.00 43.22 H new ATOM 0 HB3 GLU A 74 3.569 -4.873 -11.385 1.00 43.22 H new ATOM 0 HG2 GLU A 74 1.169 -5.072 -9.517 1.00 51.42 H new ATOM 0 HG3 GLU A 74 1.434 -5.998 -10.982 1.00 51.42 H new ATOM 1198 N GLU A 75 4.297 -1.422 -10.311 1.00 3.13 N ATOM 1199 CA GLU A 75 5.203 -0.364 -10.830 1.00 61.42 C ATOM 1200 C GLU A 75 6.060 0.223 -9.687 1.00 24.41 C ATOM 1201 O GLU A 75 7.260 0.460 -9.846 1.00 43.42 O ATOM 1202 CB GLU A 75 4.407 0.743 -11.585 1.00 31.02 C ATOM 1203 CG GLU A 75 3.258 1.387 -10.783 1.00 23.43 C ATOM 1204 CD GLU A 75 2.641 2.611 -11.473 1.00 11.42 C ATOM 1205 OE1 GLU A 75 3.165 3.733 -11.280 1.00 0.41 O ATOM 1206 OE2 GLU A 75 1.641 2.470 -12.213 1.00 62.11 O ATOM 0 H GLU A 75 3.369 -1.089 -10.048 1.00 3.13 H new ATOM 0 HA GLU A 75 5.880 -0.817 -11.554 1.00 61.42 H new ATOM 0 HB2 GLU A 75 5.102 1.527 -11.887 1.00 31.02 H new ATOM 0 HB3 GLU A 75 3.995 0.313 -12.498 1.00 31.02 H new ATOM 0 HG2 GLU A 75 2.479 0.642 -10.617 1.00 23.43 H new ATOM 0 HG3 GLU A 75 3.631 1.682 -9.802 1.00 23.43 H new ATOM 1213 N CYS A 76 5.438 0.398 -8.515 1.00 31.20 N ATOM 1214 CA CYS A 76 6.074 1.003 -7.326 1.00 30.34 C ATOM 1215 C CYS A 76 7.133 0.088 -6.710 1.00 20.12 C ATOM 1216 O CYS A 76 8.046 0.567 -6.034 1.00 73.54 O ATOM 1217 CB CYS A 76 4.995 1.374 -6.310 1.00 15.01 C ATOM 1218 SG CYS A 76 3.738 2.443 -7.003 1.00 33.14 S ATOM 0 H CYS A 76 4.469 0.122 -8.358 1.00 31.20 H new ATOM 0 HA CYS A 76 6.598 1.906 -7.637 1.00 30.34 H new ATOM 0 HB2 CYS A 76 4.527 0.464 -5.934 1.00 15.01 H new ATOM 0 HB3 CYS A 76 5.459 1.870 -5.457 1.00 15.01 H new ATOM 0 HG CYS A 76 2.849 1.724 -7.621 1.00 33.14 H new ATOM 1224 N ILE A 77 7.002 -1.226 -6.958 1.00 1.01 N ATOM 1225 CA ILE A 77 8.012 -2.228 -6.554 1.00 31.31 C ATOM 1226 C ILE A 77 9.322 -1.982 -7.343 1.00 54.41 C ATOM 1227 O ILE A 77 10.411 -2.241 -6.831 1.00 53.42 O ATOM 1228 CB ILE A 77 7.445 -3.713 -6.743 1.00 74.35 C ATOM 1229 CG1 ILE A 77 8.039 -4.754 -5.718 1.00 63.00 C ATOM 1230 CG2 ILE A 77 7.595 -4.231 -8.193 1.00 22.35 C ATOM 1231 CD1 ILE A 77 9.454 -5.249 -5.987 1.00 0.43 C ATOM 0 H ILE A 77 6.198 -1.626 -7.442 1.00 1.01 H new ATOM 0 HA ILE A 77 8.237 -2.120 -5.493 1.00 31.31 H new ATOM 0 HB ILE A 77 6.380 -3.627 -6.525 1.00 74.35 H new ATOM 0 HG12 ILE A 77 8.019 -4.303 -4.726 1.00 63.00 H new ATOM 0 HG13 ILE A 77 7.376 -5.619 -5.689 1.00 63.00 H new ATOM 0 HG21 ILE A 77 7.194 -5.242 -8.261 1.00 22.35 H new ATOM 0 HG22 ILE A 77 7.048 -3.577 -8.872 1.00 22.35 H new ATOM 0 HG23 ILE A 77 8.649 -4.240 -8.469 1.00 22.35 H new ATOM 0 HD11 ILE A 77 9.745 -5.958 -5.212 1.00 0.43 H new ATOM 0 HD12 ILE A 77 9.489 -5.739 -6.960 1.00 0.43 H new ATOM 0 HD13 ILE A 77 10.142 -4.404 -5.982 1.00 0.43 H new ATOM 1243 N GLN A 78 9.203 -1.411 -8.569 1.00 24.12 N ATOM 1244 CA GLN A 78 10.368 -1.164 -9.447 1.00 31.12 C ATOM 1245 C GLN A 78 11.187 0.044 -8.929 1.00 71.32 C ATOM 1246 O GLN A 78 12.408 0.109 -9.124 1.00 63.43 O ATOM 1247 CB GLN A 78 9.913 -0.935 -10.919 1.00 31.34 C ATOM 1248 CG GLN A 78 8.971 -2.023 -11.498 1.00 1.14 C ATOM 1249 CD GLN A 78 9.533 -3.449 -11.446 1.00 1.43 C ATOM 1250 OE1 GLN A 78 10.742 -3.665 -11.500 1.00 42.40 O ATOM 1251 NE2 GLN A 78 8.652 -4.436 -11.361 1.00 33.53 N ATOM 0 H GLN A 78 8.312 -1.115 -8.968 1.00 24.12 H new ATOM 0 HA GLN A 78 11.007 -2.047 -9.427 1.00 31.12 H new ATOM 0 HB2 GLN A 78 9.408 0.029 -10.980 1.00 31.34 H new ATOM 0 HB3 GLN A 78 10.799 -0.872 -11.550 1.00 31.34 H new ATOM 0 HG2 GLN A 78 8.029 -1.998 -10.950 1.00 1.14 H new ATOM 0 HG3 GLN A 78 8.744 -1.774 -12.535 1.00 1.14 H new ATOM 0 HE21 GLN A 78 7.655 -4.227 -11.318 1.00 33.53 H new ATOM 0 HE22 GLN A 78 8.972 -5.404 -11.339 1.00 33.53 H new ATOM 1260 N LEU A 79 10.494 0.982 -8.255 1.00 64.10 N ATOM 1261 CA LEU A 79 11.107 2.181 -7.641 1.00 51.52 C ATOM 1262 C LEU A 79 11.700 1.828 -6.271 1.00 41.42 C ATOM 1263 O LEU A 79 12.894 2.038 -6.010 1.00 61.13 O ATOM 1264 CB LEU A 79 10.035 3.296 -7.492 1.00 12.40 C ATOM 1265 CG LEU A 79 9.386 3.775 -8.824 1.00 52.24 C ATOM 1266 CD1 LEU A 79 8.262 4.803 -8.565 1.00 3.52 C ATOM 1267 CD2 LEU A 79 10.460 4.336 -9.787 1.00 32.31 C ATOM 0 H LEU A 79 9.484 0.931 -8.119 1.00 64.10 H new ATOM 0 HA LEU A 79 11.910 2.542 -8.284 1.00 51.52 H new ATOM 0 HB2 LEU A 79 9.247 2.934 -6.832 1.00 12.40 H new ATOM 0 HB3 LEU A 79 10.493 4.154 -7.000 1.00 12.40 H new ATOM 0 HG LEU A 79 8.926 2.911 -9.305 1.00 52.24 H new ATOM 0 HD11 LEU A 79 7.830 5.117 -9.515 1.00 3.52 H new ATOM 0 HD12 LEU A 79 7.488 4.348 -7.947 1.00 3.52 H new ATOM 0 HD13 LEU A 79 8.674 5.671 -8.050 1.00 3.52 H new ATOM 0 HD21 LEU A 79 9.984 4.665 -10.711 1.00 32.31 H new ATOM 0 HD22 LEU A 79 10.964 5.181 -9.318 1.00 32.31 H new ATOM 0 HD23 LEU A 79 11.190 3.558 -10.011 1.00 32.31 H new ATOM 1279 N GLU A 80 10.835 1.297 -5.405 1.00 53.55 N ATOM 1280 CA GLU A 80 11.193 0.844 -4.061 1.00 33.21 C ATOM 1281 C GLU A 80 10.715 -0.609 -3.883 1.00 55.35 C ATOM 1282 O GLU A 80 9.511 -0.842 -3.726 1.00 25.44 O ATOM 1283 CB GLU A 80 10.585 1.788 -2.984 1.00 21.35 C ATOM 1284 CG GLU A 80 10.933 1.413 -1.529 1.00 44.44 C ATOM 1285 CD GLU A 80 12.440 1.195 -1.312 1.00 13.21 C ATOM 1286 OE1 GLU A 80 13.215 2.168 -1.410 1.00 72.34 O ATOM 1287 OE2 GLU A 80 12.862 0.045 -1.070 1.00 14.23 O ATOM 0 H GLU A 80 9.847 1.168 -5.623 1.00 53.55 H new ATOM 0 HA GLU A 80 12.275 0.875 -3.934 1.00 33.21 H new ATOM 0 HB2 GLU A 80 10.929 2.804 -3.175 1.00 21.35 H new ATOM 0 HB3 GLU A 80 9.501 1.792 -3.094 1.00 21.35 H new ATOM 0 HG2 GLU A 80 10.585 2.202 -0.862 1.00 44.44 H new ATOM 0 HG3 GLU A 80 10.396 0.505 -1.255 1.00 44.44 H new ATOM 1294 N PRO A 81 11.649 -1.614 -3.963 1.00 64.42 N ATOM 1295 CA PRO A 81 11.296 -3.040 -3.840 1.00 52.45 C ATOM 1296 C PRO A 81 10.787 -3.409 -2.443 1.00 35.34 C ATOM 1297 O PRO A 81 9.739 -4.032 -2.304 1.00 20.03 O ATOM 1298 CB PRO A 81 12.616 -3.797 -4.176 1.00 55.21 C ATOM 1299 CG PRO A 81 13.507 -2.777 -4.817 1.00 21.22 C ATOM 1300 CD PRO A 81 13.107 -1.449 -4.209 1.00 72.13 C ATOM 0 HA PRO A 81 10.475 -3.302 -4.507 1.00 52.45 H new ATOM 0 HB2 PRO A 81 13.073 -4.208 -3.276 1.00 55.21 H new ATOM 0 HB3 PRO A 81 12.429 -4.634 -4.849 1.00 55.21 H new ATOM 0 HG2 PRO A 81 14.557 -2.997 -4.624 1.00 21.22 H new ATOM 0 HG3 PRO A 81 13.377 -2.768 -5.899 1.00 21.22 H new ATOM 0 HD2 PRO A 81 13.651 -1.248 -3.286 1.00 72.13 H new ATOM 0 HD3 PRO A 81 13.310 -0.619 -4.886 1.00 72.13 H new ATOM 1308 N THR A 82 11.520 -2.961 -1.415 1.00 52.44 N ATOM 1309 CA THR A 82 11.354 -3.438 -0.033 1.00 34.41 C ATOM 1310 C THR A 82 10.295 -2.646 0.757 1.00 63.25 C ATOM 1311 O THR A 82 10.278 -2.707 1.996 1.00 21.42 O ATOM 1312 CB THR A 82 12.735 -3.432 0.707 1.00 11.33 C ATOM 1313 OG1 THR A 82 13.300 -2.111 0.729 1.00 50.12 O ATOM 1314 CG2 THR A 82 13.732 -4.388 0.030 1.00 73.43 C ATOM 0 H THR A 82 12.248 -2.254 -1.518 1.00 52.44 H new ATOM 0 HA THR A 82 10.981 -4.461 -0.089 1.00 34.41 H new ATOM 0 HB THR A 82 12.553 -3.767 1.728 1.00 11.33 H new ATOM 0 HG1 THR A 82 12.839 -1.547 0.073 1.00 50.12 H new ATOM 0 HG21 THR A 82 14.681 -4.363 0.565 1.00 73.43 H new ATOM 0 HG22 THR A 82 13.333 -5.402 0.047 1.00 73.43 H new ATOM 0 HG23 THR A 82 13.890 -4.078 -1.003 1.00 73.43 H new ATOM 1322 N PHE A 83 9.412 -1.913 0.044 1.00 14.04 N ATOM 1323 CA PHE A 83 8.302 -1.171 0.668 1.00 40.10 C ATOM 1324 C PHE A 83 7.295 -2.149 1.346 1.00 35.52 C ATOM 1325 O PHE A 83 6.367 -2.660 0.720 1.00 12.22 O ATOM 1326 CB PHE A 83 7.602 -0.185 -0.359 1.00 31.22 C ATOM 1327 CG PHE A 83 6.860 -0.792 -1.582 1.00 64.14 C ATOM 1328 CD1 PHE A 83 7.060 -2.113 -1.992 1.00 21.44 C ATOM 1329 CD2 PHE A 83 5.947 -0.023 -2.306 1.00 44.22 C ATOM 1330 CE1 PHE A 83 6.382 -2.646 -3.076 1.00 10.41 C ATOM 1331 CE2 PHE A 83 5.273 -0.556 -3.392 1.00 42.03 C ATOM 1332 CZ PHE A 83 5.488 -1.865 -3.776 1.00 12.12 C ATOM 0 H PHE A 83 9.450 -1.821 -0.971 1.00 14.04 H new ATOM 0 HA PHE A 83 8.716 -0.540 1.455 1.00 40.10 H new ATOM 0 HB2 PHE A 83 6.885 0.419 0.197 1.00 31.22 H new ATOM 0 HB3 PHE A 83 8.365 0.495 -0.738 1.00 31.22 H new ATOM 0 HD1 PHE A 83 7.760 -2.733 -1.451 1.00 21.44 H new ATOM 0 HD2 PHE A 83 5.764 1.001 -2.015 1.00 44.22 H new ATOM 0 HE1 PHE A 83 6.553 -3.670 -3.372 1.00 10.41 H new ATOM 0 HE2 PHE A 83 4.574 0.056 -3.943 1.00 42.03 H new ATOM 0 HZ PHE A 83 4.957 -2.275 -4.622 1.00 12.12 H new ATOM 1342 N ILE A 84 7.518 -2.434 2.640 1.00 74.22 N ATOM 1343 CA ILE A 84 6.606 -3.270 3.462 1.00 40.02 C ATOM 1344 C ILE A 84 5.154 -2.739 3.424 1.00 0.54 C ATOM 1345 O ILE A 84 4.190 -3.506 3.510 1.00 21.12 O ATOM 1346 CB ILE A 84 7.127 -3.350 4.946 1.00 50.01 C ATOM 1347 CG1 ILE A 84 8.479 -4.135 4.998 1.00 2.52 C ATOM 1348 CG2 ILE A 84 6.071 -3.960 5.911 1.00 45.22 C ATOM 1349 CD1 ILE A 84 9.039 -4.324 6.386 1.00 43.10 C ATOM 0 H ILE A 84 8.333 -2.095 3.152 1.00 74.22 H new ATOM 0 HA ILE A 84 6.599 -4.273 3.035 1.00 40.02 H new ATOM 0 HB ILE A 84 7.303 -2.332 5.294 1.00 50.01 H new ATOM 0 HG12 ILE A 84 8.334 -5.114 4.542 1.00 2.52 H new ATOM 0 HG13 ILE A 84 9.215 -3.607 4.392 1.00 2.52 H new ATOM 0 HG21 ILE A 84 6.478 -3.994 6.922 1.00 45.22 H new ATOM 0 HG22 ILE A 84 5.172 -3.344 5.902 1.00 45.22 H new ATOM 0 HG23 ILE A 84 5.822 -4.970 5.586 1.00 45.22 H new ATOM 0 HD11 ILE A 84 9.976 -4.878 6.328 1.00 43.10 H new ATOM 0 HD12 ILE A 84 9.220 -3.350 6.841 1.00 43.10 H new ATOM 0 HD13 ILE A 84 8.326 -4.881 6.993 1.00 43.10 H new ATOM 1361 N LYS A 85 5.033 -1.432 3.205 1.00 11.32 N ATOM 1362 CA LYS A 85 3.749 -0.719 3.217 1.00 64.31 C ATOM 1363 C LYS A 85 2.975 -1.014 1.919 1.00 73.25 C ATOM 1364 O LYS A 85 1.734 -1.060 1.922 1.00 53.43 O ATOM 1365 CB LYS A 85 3.987 0.807 3.436 1.00 44.21 C ATOM 1366 CG LYS A 85 4.233 1.238 4.916 1.00 63.32 C ATOM 1367 CD LYS A 85 5.378 0.463 5.620 1.00 5.43 C ATOM 1368 CE LYS A 85 5.663 0.969 7.046 1.00 53.32 C ATOM 1369 NZ LYS A 85 4.477 0.882 7.926 1.00 25.01 N ATOM 0 H LYS A 85 5.831 -0.827 3.011 1.00 11.32 H new ATOM 0 HA LYS A 85 3.137 -1.071 4.047 1.00 64.31 H new ATOM 0 HB2 LYS A 85 4.845 1.114 2.838 1.00 44.21 H new ATOM 0 HB3 LYS A 85 3.123 1.351 3.055 1.00 44.21 H new ATOM 0 HG2 LYS A 85 4.462 2.303 4.940 1.00 63.32 H new ATOM 0 HG3 LYS A 85 3.312 1.097 5.482 1.00 63.32 H new ATOM 0 HD2 LYS A 85 5.120 -0.595 5.661 1.00 5.43 H new ATOM 0 HD3 LYS A 85 6.286 0.547 5.023 1.00 5.43 H new ATOM 0 HE2 LYS A 85 6.476 0.386 7.479 1.00 53.32 H new ATOM 0 HE3 LYS A 85 6.002 2.004 7.000 1.00 53.32 H new ATOM 0 HZ1 LYS A 85 4.750 1.121 8.901 1.00 25.01 H new ATOM 0 HZ2 LYS A 85 3.750 1.549 7.596 1.00 25.01 H new ATOM 0 HZ3 LYS A 85 4.096 -0.085 7.901 1.00 25.01 H new ATOM 1383 N GLY A 86 3.730 -1.240 0.827 1.00 32.34 N ATOM 1384 CA GLY A 86 3.158 -1.705 -0.437 1.00 72.23 C ATOM 1385 C GLY A 86 2.781 -3.173 -0.362 1.00 2.43 C ATOM 1386 O GLY A 86 1.737 -3.577 -0.875 1.00 13.25 O ATOM 0 H GLY A 86 4.741 -1.105 0.802 1.00 32.34 H new ATOM 0 HA2 GLY A 86 2.276 -1.112 -0.680 1.00 72.23 H new ATOM 0 HA3 GLY A 86 3.876 -1.552 -1.242 1.00 72.23 H new ATOM 1390 N TYR A 87 3.640 -3.960 0.316 1.00 22.12 N ATOM 1391 CA TYR A 87 3.453 -5.414 0.497 1.00 3.44 C ATOM 1392 C TYR A 87 2.201 -5.763 1.332 1.00 32.42 C ATOM 1393 O TYR A 87 1.454 -6.680 0.976 1.00 65.05 O ATOM 1394 CB TYR A 87 4.717 -6.055 1.141 1.00 73.44 C ATOM 1395 CG TYR A 87 5.906 -6.228 0.177 1.00 41.13 C ATOM 1396 CD1 TYR A 87 5.738 -6.864 -1.062 1.00 71.31 C ATOM 1397 CD2 TYR A 87 7.185 -5.790 0.509 1.00 12.14 C ATOM 1398 CE1 TYR A 87 6.797 -7.046 -1.923 1.00 15.03 C ATOM 1399 CE2 TYR A 87 8.245 -5.976 -0.354 1.00 22.24 C ATOM 1400 CZ TYR A 87 8.045 -6.606 -1.566 1.00 42.53 C ATOM 1401 OH TYR A 87 9.106 -6.805 -2.420 1.00 64.12 O ATOM 0 H TYR A 87 4.488 -3.603 0.756 1.00 22.12 H new ATOM 0 HA TYR A 87 3.300 -5.829 -0.499 1.00 3.44 H new ATOM 0 HB2 TYR A 87 5.034 -5.438 1.982 1.00 73.44 H new ATOM 0 HB3 TYR A 87 4.448 -7.031 1.545 1.00 73.44 H new ATOM 0 HD1 TYR A 87 4.758 -7.218 -1.346 1.00 71.31 H new ATOM 0 HD2 TYR A 87 7.350 -5.297 1.456 1.00 12.14 H new ATOM 0 HE1 TYR A 87 6.645 -7.533 -2.875 1.00 15.03 H new ATOM 0 HE2 TYR A 87 9.231 -5.629 -0.082 1.00 22.24 H new ATOM 0 HH TYR A 87 9.549 -5.949 -2.596 1.00 64.12 H new ATOM 1411 N THR A 88 1.986 -5.036 2.439 1.00 51.12 N ATOM 1412 CA THR A 88 0.849 -5.280 3.353 1.00 42.11 C ATOM 1413 C THR A 88 -0.492 -5.044 2.613 1.00 15.33 C ATOM 1414 O THR A 88 -1.446 -5.822 2.760 1.00 12.02 O ATOM 1415 CB THR A 88 0.937 -4.367 4.626 1.00 51.11 C ATOM 1416 OG1 THR A 88 2.223 -4.510 5.261 1.00 5.33 O ATOM 1417 CG2 THR A 88 -0.168 -4.684 5.658 1.00 54.24 C ATOM 0 H THR A 88 2.589 -4.266 2.729 1.00 51.12 H new ATOM 0 HA THR A 88 0.896 -6.318 3.681 1.00 42.11 H new ATOM 0 HB THR A 88 0.797 -3.342 4.282 1.00 51.11 H new ATOM 0 HG1 THR A 88 2.918 -4.138 4.679 1.00 5.33 H new ATOM 0 HG21 THR A 88 -0.062 -4.024 6.519 1.00 54.24 H new ATOM 0 HG22 THR A 88 -1.146 -4.531 5.202 1.00 54.24 H new ATOM 0 HG23 THR A 88 -0.077 -5.721 5.982 1.00 54.24 H new ATOM 1425 N ARG A 89 -0.512 -3.982 1.777 1.00 13.32 N ATOM 1426 CA ARG A 89 -1.681 -3.608 0.946 1.00 72.21 C ATOM 1427 C ARG A 89 -1.875 -4.600 -0.221 1.00 71.00 C ATOM 1428 O ARG A 89 -3.015 -4.924 -0.576 1.00 51.43 O ATOM 1429 CB ARG A 89 -1.520 -2.132 0.427 1.00 13.11 C ATOM 1430 CG ARG A 89 -2.420 -1.097 1.142 1.00 73.35 C ATOM 1431 CD ARG A 89 -2.295 -1.127 2.673 1.00 15.44 C ATOM 1432 NE ARG A 89 -0.925 -0.833 3.140 1.00 20.21 N ATOM 1433 CZ ARG A 89 -0.480 -1.006 4.396 1.00 71.32 C ATOM 1434 NH1 ARG A 89 -1.265 -1.482 5.357 1.00 64.02 N ATOM 1435 NH2 ARG A 89 0.777 -0.721 4.696 1.00 4.22 N ATOM 0 H ARG A 89 0.285 -3.357 1.658 1.00 13.32 H new ATOM 0 HA ARG A 89 -2.579 -3.659 1.562 1.00 72.21 H new ATOM 0 HB2 ARG A 89 -0.479 -1.831 0.544 1.00 13.11 H new ATOM 0 HB3 ARG A 89 -1.740 -2.110 -0.640 1.00 13.11 H new ATOM 0 HG2 ARG A 89 -2.166 -0.099 0.785 1.00 73.35 H new ATOM 0 HG3 ARG A 89 -3.459 -1.280 0.867 1.00 73.35 H new ATOM 0 HD2 ARG A 89 -2.985 -0.401 3.104 1.00 15.44 H new ATOM 0 HD3 ARG A 89 -2.596 -2.109 3.039 1.00 15.44 H new ATOM 0 HE ARG A 89 -0.264 -0.469 2.454 1.00 20.21 H new ATOM 0 HH11 ARG A 89 -2.233 -1.727 5.150 1.00 64.02 H new ATOM 0 HH12 ARG A 89 -0.899 -1.603 6.301 1.00 64.02 H new ATOM 0 HH21 ARG A 89 1.407 -0.370 3.974 1.00 4.22 H new ATOM 0 HH22 ARG A 89 1.116 -0.852 5.649 1.00 4.22 H new ATOM 1449 N LYS A 90 -0.747 -5.069 -0.801 1.00 24.25 N ATOM 1450 CA LYS A 90 -0.747 -6.011 -1.934 1.00 73.52 C ATOM 1451 C LYS A 90 -1.379 -7.352 -1.522 1.00 41.15 C ATOM 1452 O LYS A 90 -2.260 -7.866 -2.209 1.00 11.02 O ATOM 1453 CB LYS A 90 0.703 -6.240 -2.462 1.00 65.32 C ATOM 1454 CG LYS A 90 0.801 -7.221 -3.652 1.00 34.34 C ATOM 1455 CD LYS A 90 -0.042 -6.761 -4.869 1.00 14.33 C ATOM 1456 CE LYS A 90 -0.105 -7.820 -5.973 1.00 73.52 C ATOM 1457 NZ LYS A 90 1.228 -8.154 -6.500 1.00 25.30 N ATOM 0 H LYS A 90 0.188 -4.802 -0.493 1.00 24.25 H new ATOM 0 HA LYS A 90 -1.343 -5.576 -2.736 1.00 73.52 H new ATOM 0 HB2 LYS A 90 1.123 -5.280 -2.762 1.00 65.32 H new ATOM 0 HB3 LYS A 90 1.319 -6.616 -1.645 1.00 65.32 H new ATOM 0 HG2 LYS A 90 1.844 -7.320 -3.953 1.00 34.34 H new ATOM 0 HG3 LYS A 90 0.466 -8.208 -3.334 1.00 34.34 H new ATOM 0 HD2 LYS A 90 -1.053 -6.525 -4.538 1.00 14.33 H new ATOM 0 HD3 LYS A 90 0.383 -5.843 -5.275 1.00 14.33 H new ATOM 0 HE2 LYS A 90 -0.576 -8.722 -5.582 1.00 73.52 H new ATOM 0 HE3 LYS A 90 -0.735 -7.458 -6.786 1.00 73.52 H new ATOM 0 HZ1 LYS A 90 1.142 -8.910 -7.208 1.00 25.30 H new ATOM 0 HZ2 LYS A 90 1.647 -7.311 -6.942 1.00 25.30 H new ATOM 0 HZ3 LYS A 90 1.838 -8.476 -5.722 1.00 25.30 H new ATOM 1471 N ALA A 91 -0.920 -7.881 -0.380 1.00 50.11 N ATOM 1472 CA ALA A 91 -1.366 -9.173 0.157 1.00 61.41 C ATOM 1473 C ALA A 91 -2.812 -9.097 0.694 1.00 41.20 C ATOM 1474 O ALA A 91 -3.553 -10.084 0.633 1.00 45.33 O ATOM 1475 CB ALA A 91 -0.392 -9.631 1.241 1.00 62.41 C ATOM 0 H ALA A 91 -0.222 -7.419 0.203 1.00 50.11 H new ATOM 0 HA ALA A 91 -1.372 -9.906 -0.649 1.00 61.41 H new ATOM 0 HB1 ALA A 91 -0.719 -10.590 1.643 1.00 62.41 H new ATOM 0 HB2 ALA A 91 0.605 -9.738 0.813 1.00 62.41 H new ATOM 0 HB3 ALA A 91 -0.365 -8.892 2.042 1.00 62.41 H new ATOM 1481 N ALA A 92 -3.198 -7.907 1.212 1.00 53.13 N ATOM 1482 CA ALA A 92 -4.593 -7.621 1.634 1.00 24.43 C ATOM 1483 C ALA A 92 -5.544 -7.632 0.417 1.00 2.42 C ATOM 1484 O ALA A 92 -6.711 -8.028 0.527 1.00 13.11 O ATOM 1485 CB ALA A 92 -4.663 -6.272 2.367 1.00 32.13 C ATOM 0 H ALA A 92 -2.559 -7.124 1.349 1.00 53.13 H new ATOM 0 HA ALA A 92 -4.914 -8.404 2.321 1.00 24.43 H new ATOM 0 HB1 ALA A 92 -5.691 -6.076 2.670 1.00 32.13 H new ATOM 0 HB2 ALA A 92 -4.024 -6.304 3.250 1.00 32.13 H new ATOM 0 HB3 ALA A 92 -4.323 -5.478 1.702 1.00 32.13 H new ATOM 1491 N ALA A 93 -5.017 -7.185 -0.739 1.00 32.34 N ATOM 1492 CA ALA A 93 -5.732 -7.232 -2.025 1.00 71.54 C ATOM 1493 C ALA A 93 -5.844 -8.691 -2.515 1.00 2.11 C ATOM 1494 O ALA A 93 -6.930 -9.138 -2.899 1.00 34.42 O ATOM 1495 CB ALA A 93 -5.033 -6.336 -3.065 1.00 1.02 C ATOM 0 H ALA A 93 -4.083 -6.781 -0.806 1.00 32.34 H new ATOM 0 HA ALA A 93 -6.742 -6.845 -1.886 1.00 71.54 H new ATOM 0 HB1 ALA A 93 -5.575 -6.383 -4.009 1.00 1.02 H new ATOM 0 HB2 ALA A 93 -5.017 -5.307 -2.707 1.00 1.02 H new ATOM 0 HB3 ALA A 93 -4.011 -6.683 -3.216 1.00 1.02 H new ATOM 1501 N LEU A 94 -4.713 -9.437 -2.441 1.00 32.12 N ATOM 1502 CA LEU A 94 -4.638 -10.868 -2.826 1.00 64.52 C ATOM 1503 C LEU A 94 -5.633 -11.712 -2.018 1.00 75.00 C ATOM 1504 O LEU A 94 -6.236 -12.642 -2.553 1.00 41.15 O ATOM 1505 CB LEU A 94 -3.194 -11.415 -2.644 1.00 22.24 C ATOM 1506 CG LEU A 94 -2.114 -10.812 -3.599 1.00 30.24 C ATOM 1507 CD1 LEU A 94 -0.694 -11.315 -3.240 1.00 51.54 C ATOM 1508 CD2 LEU A 94 -2.469 -11.096 -5.080 1.00 23.24 C ATOM 0 H LEU A 94 -3.824 -9.061 -2.111 1.00 32.12 H new ATOM 0 HA LEU A 94 -4.906 -10.941 -3.880 1.00 64.52 H new ATOM 0 HB2 LEU A 94 -2.884 -11.234 -1.615 1.00 22.24 H new ATOM 0 HB3 LEU A 94 -3.214 -12.496 -2.785 1.00 22.24 H new ATOM 0 HG LEU A 94 -2.110 -9.731 -3.462 1.00 30.24 H new ATOM 0 HD11 LEU A 94 0.032 -10.875 -3.924 1.00 51.54 H new ATOM 0 HD12 LEU A 94 -0.452 -11.023 -2.218 1.00 51.54 H new ATOM 0 HD13 LEU A 94 -0.661 -12.401 -3.324 1.00 51.54 H new ATOM 0 HD21 LEU A 94 -1.703 -10.667 -5.726 1.00 23.24 H new ATOM 0 HD22 LEU A 94 -2.519 -12.173 -5.242 1.00 23.24 H new ATOM 0 HD23 LEU A 94 -3.435 -10.648 -5.315 1.00 23.24 H new ATOM 1520 N GLU A 95 -5.819 -11.342 -0.741 1.00 12.02 N ATOM 1521 CA GLU A 95 -6.832 -11.943 0.144 1.00 13.14 C ATOM 1522 C GLU A 95 -8.247 -11.843 -0.488 1.00 1.44 C ATOM 1523 O GLU A 95 -9.025 -12.817 -0.484 1.00 74.11 O ATOM 1524 CB GLU A 95 -6.802 -11.235 1.514 1.00 3.44 C ATOM 1525 CG GLU A 95 -7.824 -11.780 2.524 1.00 23.24 C ATOM 1526 CD GLU A 95 -7.899 -10.945 3.794 1.00 52.44 C ATOM 1527 OE1 GLU A 95 -8.700 -9.985 3.834 1.00 13.33 O ATOM 1528 OE2 GLU A 95 -7.145 -11.216 4.747 1.00 24.32 O ATOM 0 H GLU A 95 -5.267 -10.612 -0.290 1.00 12.02 H new ATOM 0 HA GLU A 95 -6.600 -12.999 0.279 1.00 13.14 H new ATOM 0 HB2 GLU A 95 -5.802 -11.329 1.938 1.00 3.44 H new ATOM 0 HB3 GLU A 95 -6.986 -10.171 1.365 1.00 3.44 H new ATOM 0 HG2 GLU A 95 -8.808 -11.812 2.057 1.00 23.24 H new ATOM 0 HG3 GLU A 95 -7.561 -12.805 2.784 1.00 23.24 H new ATOM 1535 N ALA A 96 -8.536 -10.671 -1.096 1.00 14.21 N ATOM 1536 CA ALA A 96 -9.830 -10.395 -1.753 1.00 52.13 C ATOM 1537 C ALA A 96 -9.892 -11.092 -3.132 1.00 11.22 C ATOM 1538 O ALA A 96 -10.971 -11.241 -3.709 1.00 74.13 O ATOM 1539 CB ALA A 96 -10.053 -8.873 -1.881 1.00 30.40 C ATOM 0 H ALA A 96 -7.879 -9.892 -1.144 1.00 14.21 H new ATOM 0 HA ALA A 96 -10.633 -10.800 -1.137 1.00 52.13 H new ATOM 0 HB1 ALA A 96 -11.010 -8.685 -2.367 1.00 30.40 H new ATOM 0 HB2 ALA A 96 -10.055 -8.421 -0.889 1.00 30.40 H new ATOM 0 HB3 ALA A 96 -9.252 -8.437 -2.477 1.00 30.40 H new ATOM 1545 N MET A 97 -8.717 -11.538 -3.638 1.00 31.23 N ATOM 1546 CA MET A 97 -8.601 -12.264 -4.919 1.00 53.11 C ATOM 1547 C MET A 97 -8.529 -13.776 -4.664 1.00 22.44 C ATOM 1548 O MET A 97 -8.424 -14.553 -5.615 1.00 0.14 O ATOM 1549 CB MET A 97 -7.347 -11.777 -5.699 1.00 42.21 C ATOM 1550 CG MET A 97 -7.336 -10.269 -5.972 1.00 70.42 C ATOM 1551 SD MET A 97 -8.814 -9.731 -6.860 1.00 34.34 S ATOM 1552 CE MET A 97 -8.600 -7.957 -6.884 1.00 14.45 C ATOM 0 H MET A 97 -7.823 -11.402 -3.166 1.00 31.23 H new ATOM 0 HA MET A 97 -9.484 -12.059 -5.525 1.00 53.11 H new ATOM 0 HB2 MET A 97 -6.453 -12.041 -5.133 1.00 42.21 H new ATOM 0 HB3 MET A 97 -7.292 -12.309 -6.649 1.00 42.21 H new ATOM 0 HG2 MET A 97 -7.265 -9.730 -5.027 1.00 70.42 H new ATOM 0 HG3 MET A 97 -6.450 -10.012 -6.553 1.00 70.42 H new ATOM 0 HE1 MET A 97 -9.574 -7.472 -6.816 1.00 14.45 H new ATOM 0 HE2 MET A 97 -7.984 -7.653 -6.038 1.00 14.45 H new ATOM 0 HE3 MET A 97 -8.111 -7.662 -7.813 1.00 14.45 H new ATOM 1562 N LYS A 98 -8.590 -14.167 -3.356 1.00 54.22 N ATOM 1563 CA LYS A 98 -8.597 -15.576 -2.876 1.00 13.33 C ATOM 1564 C LYS A 98 -7.221 -16.261 -3.030 1.00 54.03 C ATOM 1565 O LYS A 98 -7.120 -17.488 -2.945 1.00 63.31 O ATOM 1566 CB LYS A 98 -9.735 -16.403 -3.558 1.00 3.43 C ATOM 1567 CG LYS A 98 -11.158 -15.828 -3.339 1.00 40.24 C ATOM 1568 CD LYS A 98 -11.632 -15.897 -1.868 1.00 3.34 C ATOM 1569 CE LYS A 98 -11.861 -17.343 -1.392 1.00 32.51 C ATOM 1570 NZ LYS A 98 -12.914 -18.029 -2.190 1.00 34.54 N ATOM 0 H LYS A 98 -8.637 -13.493 -2.592 1.00 54.22 H new ATOM 0 HA LYS A 98 -8.806 -15.544 -1.807 1.00 13.33 H new ATOM 0 HB2 LYS A 98 -9.538 -16.457 -4.629 1.00 3.43 H new ATOM 0 HB3 LYS A 98 -9.705 -17.424 -3.177 1.00 3.43 H new ATOM 0 HG2 LYS A 98 -11.177 -14.790 -3.670 1.00 40.24 H new ATOM 0 HG3 LYS A 98 -11.863 -16.375 -3.965 1.00 40.24 H new ATOM 0 HD2 LYS A 98 -10.890 -15.420 -1.227 1.00 3.34 H new ATOM 0 HD3 LYS A 98 -12.557 -15.331 -1.760 1.00 3.34 H new ATOM 0 HE2 LYS A 98 -10.928 -17.902 -1.465 1.00 32.51 H new ATOM 0 HE3 LYS A 98 -12.148 -17.338 -0.340 1.00 32.51 H new ATOM 0 HZ1 LYS A 98 -13.195 -18.908 -1.711 1.00 34.54 H new ATOM 0 HZ2 LYS A 98 -13.741 -17.405 -2.282 1.00 34.54 H new ATOM 0 HZ3 LYS A 98 -12.542 -18.253 -3.135 1.00 34.54 H new ATOM 1584 N ASP A 99 -6.163 -15.460 -3.213 1.00 21.25 N ATOM 1585 CA ASP A 99 -4.772 -15.949 -3.316 1.00 24.10 C ATOM 1586 C ASP A 99 -4.081 -15.894 -1.947 1.00 11.11 C ATOM 1587 O ASP A 99 -3.004 -15.308 -1.822 1.00 41.20 O ATOM 1588 CB ASP A 99 -3.984 -15.096 -4.355 1.00 33.20 C ATOM 1589 CG ASP A 99 -4.526 -15.234 -5.774 1.00 61.41 C ATOM 1590 OD1 ASP A 99 -5.474 -14.517 -6.124 1.00 54.14 O ATOM 1591 OD2 ASP A 99 -4.032 -16.089 -6.537 1.00 72.10 O ATOM 0 H ASP A 99 -6.244 -14.446 -3.295 1.00 21.25 H new ATOM 0 HA ASP A 99 -4.789 -16.986 -3.651 1.00 24.10 H new ATOM 0 HB2 ASP A 99 -4.020 -14.048 -4.059 1.00 33.20 H new ATOM 0 HB3 ASP A 99 -2.936 -15.395 -4.342 1.00 33.20 H new ATOM 1596 N TYR A 100 -4.702 -16.522 -0.926 1.00 35.52 N ATOM 1597 CA TYR A 100 -4.138 -16.618 0.450 1.00 70.43 C ATOM 1598 C TYR A 100 -2.717 -17.211 0.460 1.00 62.25 C ATOM 1599 O TYR A 100 -1.885 -16.841 1.293 1.00 31.05 O ATOM 1600 CB TYR A 100 -5.083 -17.458 1.355 1.00 12.04 C ATOM 1601 CG TYR A 100 -6.537 -16.962 1.336 1.00 73.35 C ATOM 1602 CD1 TYR A 100 -6.819 -15.612 1.500 1.00 11.02 C ATOM 1603 CD2 TYR A 100 -7.614 -17.827 1.132 1.00 42.01 C ATOM 1604 CE1 TYR A 100 -8.106 -15.153 1.456 1.00 64.04 C ATOM 1605 CE2 TYR A 100 -8.912 -17.360 1.095 1.00 22.50 C ATOM 1606 CZ TYR A 100 -9.147 -16.018 1.258 1.00 53.11 C ATOM 1607 OH TYR A 100 -10.426 -15.524 1.209 1.00 73.03 O ATOM 0 H TYR A 100 -5.609 -16.979 -1.026 1.00 35.52 H new ATOM 0 HA TYR A 100 -4.063 -15.605 0.844 1.00 70.43 H new ATOM 0 HB2 TYR A 100 -5.056 -18.498 1.031 1.00 12.04 H new ATOM 0 HB3 TYR A 100 -4.711 -17.434 2.379 1.00 12.04 H new ATOM 0 HD1 TYR A 100 -6.010 -14.915 1.665 1.00 11.02 H new ATOM 0 HD2 TYR A 100 -7.427 -18.883 1.001 1.00 42.01 H new ATOM 0 HE1 TYR A 100 -8.303 -14.098 1.579 1.00 64.04 H new ATOM 0 HE2 TYR A 100 -9.734 -18.043 0.939 1.00 22.50 H new ATOM 0 HH TYR A 100 -10.410 -14.609 0.858 1.00 73.03 H new ATOM 1617 N THR A 101 -2.466 -18.113 -0.498 1.00 50.32 N ATOM 1618 CA THR A 101 -1.148 -18.734 -0.731 1.00 63.12 C ATOM 1619 C THR A 101 -0.090 -17.673 -1.107 1.00 73.30 C ATOM 1620 O THR A 101 1.055 -17.729 -0.645 1.00 4.32 O ATOM 1621 CB THR A 101 -1.250 -19.777 -1.886 1.00 13.54 C ATOM 1622 OG1 THR A 101 -1.731 -19.129 -3.076 1.00 11.24 O ATOM 1623 CG2 THR A 101 -2.187 -20.944 -1.527 1.00 30.24 C ATOM 0 H THR A 101 -3.183 -18.440 -1.146 1.00 50.32 H new ATOM 0 HA THR A 101 -0.842 -19.225 0.193 1.00 63.12 H new ATOM 0 HB THR A 101 -0.254 -20.187 -2.052 1.00 13.54 H new ATOM 0 HG1 THR A 101 -1.794 -19.784 -3.802 1.00 11.24 H new ATOM 0 HG21 THR A 101 -2.229 -21.647 -2.359 1.00 30.24 H new ATOM 0 HG22 THR A 101 -1.810 -21.454 -0.640 1.00 30.24 H new ATOM 0 HG23 THR A 101 -3.187 -20.559 -1.327 1.00 30.24 H new ATOM 1631 N LYS A 102 -0.495 -16.702 -1.948 1.00 14.11 N ATOM 1632 CA LYS A 102 0.399 -15.643 -2.450 1.00 13.33 C ATOM 1633 C LYS A 102 0.457 -14.480 -1.457 1.00 4.03 C ATOM 1634 O LYS A 102 1.472 -13.802 -1.363 1.00 12.02 O ATOM 1635 CB LYS A 102 -0.072 -15.158 -3.845 1.00 41.25 C ATOM 1636 CG LYS A 102 -0.129 -16.249 -4.952 1.00 53.52 C ATOM 1637 CD LYS A 102 1.257 -16.869 -5.337 1.00 23.31 C ATOM 1638 CE LYS A 102 1.670 -18.091 -4.479 1.00 24.23 C ATOM 1639 NZ LYS A 102 3.019 -18.602 -4.846 1.00 55.01 N ATOM 0 H LYS A 102 -1.451 -16.630 -2.298 1.00 14.11 H new ATOM 0 HA LYS A 102 1.404 -16.051 -2.553 1.00 13.33 H new ATOM 0 HB2 LYS A 102 -1.064 -14.719 -3.741 1.00 41.25 H new ATOM 0 HB3 LYS A 102 0.595 -14.363 -4.178 1.00 41.25 H new ATOM 0 HG2 LYS A 102 -0.789 -17.050 -4.619 1.00 53.52 H new ATOM 0 HG3 LYS A 102 -0.578 -15.816 -5.846 1.00 53.52 H new ATOM 0 HD2 LYS A 102 1.229 -17.168 -6.385 1.00 23.31 H new ATOM 0 HD3 LYS A 102 2.024 -16.100 -5.245 1.00 23.31 H new ATOM 0 HE2 LYS A 102 1.662 -17.813 -3.425 1.00 24.23 H new ATOM 0 HE3 LYS A 102 0.935 -18.886 -4.604 1.00 24.23 H new ATOM 0 HZ1 LYS A 102 3.255 -19.419 -4.248 1.00 55.01 H new ATOM 0 HZ2 LYS A 102 3.020 -18.892 -5.845 1.00 55.01 H new ATOM 0 HZ3 LYS A 102 3.725 -17.852 -4.702 1.00 55.01 H new ATOM 1653 N ALA A 103 -0.645 -14.276 -0.720 1.00 62.45 N ATOM 1654 CA ALA A 103 -0.746 -13.240 0.307 1.00 42.00 C ATOM 1655 C ALA A 103 0.253 -13.532 1.431 1.00 53.30 C ATOM 1656 O ALA A 103 1.117 -12.703 1.735 1.00 23.13 O ATOM 1657 CB ALA A 103 -2.188 -13.146 0.841 1.00 24.25 C ATOM 0 H ALA A 103 -1.494 -14.831 -0.824 1.00 62.45 H new ATOM 0 HA ALA A 103 -0.498 -12.272 -0.129 1.00 42.00 H new ATOM 0 HB1 ALA A 103 -2.243 -12.370 1.604 1.00 24.25 H new ATOM 0 HB2 ALA A 103 -2.864 -12.899 0.022 1.00 24.25 H new ATOM 0 HB3 ALA A 103 -2.478 -14.103 1.275 1.00 24.25 H new ATOM 1663 N MET A 104 0.171 -14.763 1.979 1.00 74.32 N ATOM 1664 CA MET A 104 1.044 -15.215 3.088 1.00 21.43 C ATOM 1665 C MET A 104 2.531 -15.223 2.687 1.00 2.13 C ATOM 1666 O MET A 104 3.406 -15.083 3.546 1.00 71.54 O ATOM 1667 CB MET A 104 0.627 -16.615 3.596 1.00 5.05 C ATOM 1668 CG MET A 104 0.877 -17.783 2.637 1.00 51.43 C ATOM 1669 SD MET A 104 0.441 -19.383 3.356 1.00 42.10 S ATOM 1670 CE MET A 104 -1.265 -19.125 3.830 1.00 44.33 C ATOM 0 H MET A 104 -0.497 -15.469 1.669 1.00 74.32 H new ATOM 0 HA MET A 104 0.917 -14.495 3.897 1.00 21.43 H new ATOM 0 HB2 MET A 104 1.159 -16.815 4.526 1.00 5.05 H new ATOM 0 HB3 MET A 104 -0.436 -16.590 3.836 1.00 5.05 H new ATOM 0 HG2 MET A 104 0.299 -17.629 1.726 1.00 51.43 H new ATOM 0 HG3 MET A 104 1.928 -17.793 2.350 1.00 51.43 H new ATOM 0 HE1 MET A 104 -1.720 -20.082 4.087 1.00 44.33 H new ATOM 0 HE2 MET A 104 -1.306 -18.460 4.693 1.00 44.33 H new ATOM 0 HE3 MET A 104 -1.809 -18.676 3.000 1.00 44.33 H new ATOM 1680 N ASP A 105 2.783 -15.405 1.374 1.00 23.51 N ATOM 1681 CA ASP A 105 4.131 -15.315 0.782 1.00 11.34 C ATOM 1682 C ASP A 105 4.673 -13.889 0.945 1.00 1.42 C ATOM 1683 O ASP A 105 5.823 -13.686 1.348 1.00 63.22 O ATOM 1684 CB ASP A 105 4.076 -15.705 -0.719 1.00 24.03 C ATOM 1685 CG ASP A 105 5.461 -15.778 -1.388 1.00 11.04 C ATOM 1686 OD1 ASP A 105 6.102 -16.846 -1.337 1.00 63.22 O ATOM 1687 OD2 ASP A 105 5.920 -14.762 -1.957 1.00 2.23 O ATOM 0 H ASP A 105 2.054 -15.619 0.694 1.00 23.51 H new ATOM 0 HA ASP A 105 4.798 -16.006 1.297 1.00 11.34 H new ATOM 0 HB2 ASP A 105 3.583 -16.672 -0.817 1.00 24.03 H new ATOM 0 HB3 ASP A 105 3.462 -14.979 -1.252 1.00 24.03 H new ATOM 1692 N VAL A 106 3.793 -12.913 0.684 1.00 55.22 N ATOM 1693 CA VAL A 106 4.137 -11.487 0.697 1.00 42.10 C ATOM 1694 C VAL A 106 4.327 -11.010 2.153 1.00 70.33 C ATOM 1695 O VAL A 106 5.233 -10.216 2.442 1.00 54.41 O ATOM 1696 CB VAL A 106 3.023 -10.660 -0.049 1.00 3.24 C ATOM 1697 CG1 VAL A 106 3.245 -9.148 0.064 1.00 50.14 C ATOM 1698 CG2 VAL A 106 2.925 -11.080 -1.533 1.00 74.20 C ATOM 0 H VAL A 106 2.815 -13.094 0.456 1.00 55.22 H new ATOM 0 HA VAL A 106 5.077 -11.328 0.168 1.00 42.10 H new ATOM 0 HB VAL A 106 2.079 -10.887 0.445 1.00 3.24 H new ATOM 0 HG11 VAL A 106 2.451 -8.623 -0.467 1.00 50.14 H new ATOM 0 HG12 VAL A 106 3.234 -8.856 1.114 1.00 50.14 H new ATOM 0 HG13 VAL A 106 4.208 -8.888 -0.375 1.00 50.14 H new ATOM 0 HG21 VAL A 106 2.149 -10.495 -2.026 1.00 74.20 H new ATOM 0 HG22 VAL A 106 3.881 -10.903 -2.025 1.00 74.20 H new ATOM 0 HG23 VAL A 106 2.676 -12.139 -1.596 1.00 74.20 H new ATOM 1708 N TYR A 107 3.481 -11.545 3.060 1.00 15.31 N ATOM 1709 CA TYR A 107 3.569 -11.281 4.508 1.00 71.30 C ATOM 1710 C TYR A 107 4.887 -11.814 5.086 1.00 52.11 C ATOM 1711 O TYR A 107 5.524 -11.146 5.897 1.00 51.20 O ATOM 1712 CB TYR A 107 2.368 -11.919 5.259 1.00 42.21 C ATOM 1713 CG TYR A 107 1.003 -11.270 4.960 1.00 51.15 C ATOM 1714 CD1 TYR A 107 0.849 -9.885 4.985 1.00 55.33 C ATOM 1715 CD2 TYR A 107 -0.129 -12.034 4.695 1.00 53.45 C ATOM 1716 CE1 TYR A 107 -0.375 -9.288 4.769 1.00 55.11 C ATOM 1717 CE2 TYR A 107 -1.354 -11.440 4.468 1.00 14.15 C ATOM 1718 CZ TYR A 107 -1.472 -10.068 4.505 1.00 53.34 C ATOM 1719 OH TYR A 107 -2.691 -9.474 4.278 1.00 43.34 O ATOM 0 H TYR A 107 2.718 -12.172 2.806 1.00 15.31 H new ATOM 0 HA TYR A 107 3.539 -10.201 4.649 1.00 71.30 H new ATOM 0 HB2 TYR A 107 2.316 -12.977 5.001 1.00 42.21 H new ATOM 0 HB3 TYR A 107 2.555 -11.861 6.331 1.00 42.21 H new ATOM 0 HD1 TYR A 107 1.711 -9.263 5.179 1.00 55.33 H new ATOM 0 HD2 TYR A 107 -0.048 -13.111 4.666 1.00 53.45 H new ATOM 0 HE1 TYR A 107 -0.469 -8.213 4.807 1.00 55.11 H new ATOM 0 HE2 TYR A 107 -2.220 -12.051 4.261 1.00 14.15 H new ATOM 0 HH TYR A 107 -3.389 -10.161 4.245 1.00 43.34 H new ATOM 1729 N GLN A 108 5.276 -13.027 4.644 1.00 25.22 N ATOM 1730 CA GLN A 108 6.507 -13.708 5.094 1.00 53.44 C ATOM 1731 C GLN A 108 7.733 -12.851 4.717 1.00 35.21 C ATOM 1732 O GLN A 108 8.575 -12.534 5.570 1.00 44.33 O ATOM 1733 CB GLN A 108 6.584 -15.143 4.455 1.00 72.11 C ATOM 1734 CG GLN A 108 7.503 -16.175 5.169 1.00 15.21 C ATOM 1735 CD GLN A 108 8.997 -15.973 4.913 1.00 31.22 C ATOM 1736 OE1 GLN A 108 9.563 -16.534 3.974 1.00 11.31 O ATOM 1737 NE2 GLN A 108 9.632 -15.149 5.723 1.00 60.24 N ATOM 0 H GLN A 108 4.742 -13.565 3.961 1.00 25.22 H new ATOM 0 HA GLN A 108 6.495 -13.826 6.178 1.00 53.44 H new ATOM 0 HB2 GLN A 108 5.575 -15.554 4.418 1.00 72.11 H new ATOM 0 HB3 GLN A 108 6.924 -15.039 3.425 1.00 72.11 H new ATOM 0 HG2 GLN A 108 7.321 -16.124 6.242 1.00 15.21 H new ATOM 0 HG3 GLN A 108 7.223 -17.178 4.845 1.00 15.21 H new ATOM 0 HE21 GLN A 108 9.131 -14.702 6.491 1.00 60.24 H new ATOM 0 HE22 GLN A 108 10.624 -14.959 5.582 1.00 60.24 H new ATOM 1746 N LYS A 109 7.780 -12.445 3.433 1.00 21.13 N ATOM 1747 CA LYS A 109 8.905 -11.679 2.867 1.00 52.42 C ATOM 1748 C LYS A 109 8.985 -10.270 3.477 1.00 14.42 C ATOM 1749 O LYS A 109 10.080 -9.769 3.707 1.00 54.40 O ATOM 1750 CB LYS A 109 8.792 -11.610 1.317 1.00 22.44 C ATOM 1751 CG LYS A 109 8.816 -12.994 0.617 1.00 74.31 C ATOM 1752 CD LYS A 109 10.088 -13.822 0.910 1.00 41.02 C ATOM 1753 CE LYS A 109 11.361 -13.173 0.359 1.00 4.32 C ATOM 1754 NZ LYS A 109 12.563 -14.007 0.619 1.00 71.23 N ATOM 0 H LYS A 109 7.039 -12.639 2.760 1.00 21.13 H new ATOM 0 HA LYS A 109 9.829 -12.199 3.121 1.00 52.42 H new ATOM 0 HB2 LYS A 109 7.867 -11.098 1.054 1.00 22.44 H new ATOM 0 HB3 LYS A 109 9.612 -11.005 0.930 1.00 22.44 H new ATOM 0 HG2 LYS A 109 7.942 -13.565 0.932 1.00 74.31 H new ATOM 0 HG3 LYS A 109 8.730 -12.847 -0.460 1.00 74.31 H new ATOM 0 HD2 LYS A 109 10.190 -13.953 1.987 1.00 41.02 H new ATOM 0 HD3 LYS A 109 9.976 -14.816 0.477 1.00 41.02 H new ATOM 0 HE2 LYS A 109 11.253 -13.015 -0.714 1.00 4.32 H new ATOM 0 HE3 LYS A 109 11.495 -12.191 0.814 1.00 4.32 H new ATOM 0 HZ1 LYS A 109 13.404 -13.534 0.231 1.00 71.23 H new ATOM 0 HZ2 LYS A 109 12.680 -14.137 1.644 1.00 71.23 H new ATOM 0 HZ3 LYS A 109 12.447 -14.935 0.164 1.00 71.23 H new ATOM 1768 N ALA A 110 7.816 -9.657 3.759 1.00 34.12 N ATOM 1769 CA ALA A 110 7.744 -8.333 4.414 1.00 3.44 C ATOM 1770 C ALA A 110 8.272 -8.413 5.870 1.00 14.23 C ATOM 1771 O ALA A 110 9.024 -7.536 6.311 1.00 1.42 O ATOM 1772 CB ALA A 110 6.307 -7.782 4.359 1.00 32.20 C ATOM 0 H ALA A 110 6.905 -10.060 3.542 1.00 34.12 H new ATOM 0 HA ALA A 110 8.385 -7.639 3.871 1.00 3.44 H new ATOM 0 HB1 ALA A 110 6.272 -6.807 4.846 1.00 32.20 H new ATOM 0 HB2 ALA A 110 5.996 -7.680 3.319 1.00 32.20 H new ATOM 0 HB3 ALA A 110 5.634 -8.468 4.873 1.00 32.20 H new ATOM 1778 N LEU A 111 7.880 -9.487 6.599 1.00 43.54 N ATOM 1779 CA LEU A 111 8.382 -9.776 7.974 1.00 63.11 C ATOM 1780 C LEU A 111 9.904 -9.986 7.977 1.00 15.41 C ATOM 1781 O LEU A 111 10.598 -9.585 8.927 1.00 71.04 O ATOM 1782 CB LEU A 111 7.684 -11.030 8.577 1.00 22.43 C ATOM 1783 CG LEU A 111 6.189 -10.861 8.997 1.00 55.11 C ATOM 1784 CD1 LEU A 111 5.561 -12.220 9.398 1.00 72.02 C ATOM 1785 CD2 LEU A 111 6.048 -9.818 10.130 1.00 33.02 C ATOM 0 H LEU A 111 7.211 -10.176 6.257 1.00 43.54 H new ATOM 0 HA LEU A 111 8.144 -8.909 8.590 1.00 63.11 H new ATOM 0 HB2 LEU A 111 7.744 -11.838 7.848 1.00 22.43 H new ATOM 0 HB3 LEU A 111 8.250 -11.348 9.452 1.00 22.43 H new ATOM 0 HG LEU A 111 5.638 -10.490 8.133 1.00 55.11 H new ATOM 0 HD11 LEU A 111 4.520 -12.069 9.685 1.00 72.02 H new ATOM 0 HD12 LEU A 111 5.608 -12.906 8.553 1.00 72.02 H new ATOM 0 HD13 LEU A 111 6.112 -12.641 10.239 1.00 72.02 H new ATOM 0 HD21 LEU A 111 4.998 -9.719 10.404 1.00 33.02 H new ATOM 0 HD22 LEU A 111 6.621 -10.144 10.998 1.00 33.02 H new ATOM 0 HD23 LEU A 111 6.426 -8.855 9.787 1.00 33.02 H new ATOM 1797 N ASP A 112 10.391 -10.636 6.907 1.00 21.01 N ATOM 1798 CA ASP A 112 11.822 -10.891 6.686 1.00 64.02 C ATOM 1799 C ASP A 112 12.604 -9.569 6.587 1.00 1.21 C ATOM 1800 O ASP A 112 13.713 -9.453 7.131 1.00 4.53 O ATOM 1801 CB ASP A 112 12.011 -11.765 5.413 1.00 22.51 C ATOM 1802 CG ASP A 112 13.482 -11.934 5.006 1.00 14.54 C ATOM 1803 OD1 ASP A 112 14.211 -12.671 5.695 1.00 62.33 O ATOM 1804 OD2 ASP A 112 13.916 -11.302 4.017 1.00 1.00 O ATOM 0 H ASP A 112 9.795 -11.002 6.164 1.00 21.01 H new ATOM 0 HA ASP A 112 12.222 -11.439 7.539 1.00 64.02 H new ATOM 0 HB2 ASP A 112 11.574 -12.748 5.587 1.00 22.51 H new ATOM 0 HB3 ASP A 112 11.462 -11.314 4.586 1.00 22.51 H new ATOM 1809 N LEU A 113 11.999 -8.576 5.913 1.00 70.23 N ATOM 1810 CA LEU A 113 12.608 -7.253 5.714 1.00 35.25 C ATOM 1811 C LEU A 113 12.780 -6.513 7.060 1.00 62.32 C ATOM 1812 O LEU A 113 13.913 -6.234 7.467 1.00 60.22 O ATOM 1813 CB LEU A 113 11.771 -6.405 4.710 1.00 13.42 C ATOM 1814 CG LEU A 113 11.550 -7.038 3.295 1.00 13.22 C ATOM 1815 CD1 LEU A 113 10.638 -6.155 2.417 1.00 60.23 C ATOM 1816 CD2 LEU A 113 12.894 -7.368 2.593 1.00 72.24 C ATOM 0 H LEU A 113 11.075 -8.669 5.492 1.00 70.23 H new ATOM 0 HA LEU A 113 13.600 -7.398 5.287 1.00 35.25 H new ATOM 0 HB2 LEU A 113 10.795 -6.209 5.155 1.00 13.42 H new ATOM 0 HB3 LEU A 113 12.262 -5.440 4.582 1.00 13.42 H new ATOM 0 HG LEU A 113 11.033 -7.986 3.441 1.00 13.22 H new ATOM 0 HD11 LEU A 113 10.506 -6.625 1.442 1.00 60.23 H new ATOM 0 HD12 LEU A 113 9.667 -6.042 2.900 1.00 60.23 H new ATOM 0 HD13 LEU A 113 11.096 -5.174 2.288 1.00 60.23 H new ATOM 0 HD21 LEU A 113 12.696 -7.805 1.614 1.00 72.24 H new ATOM 0 HD22 LEU A 113 13.475 -6.454 2.471 1.00 72.24 H new ATOM 0 HD23 LEU A 113 13.457 -8.077 3.200 1.00 72.24 H new ATOM 1828 N ASP A 114 11.659 -6.205 7.748 1.00 44.13 N ATOM 1829 CA ASP A 114 11.678 -5.483 9.048 1.00 53.33 C ATOM 1830 C ASP A 114 10.538 -5.964 9.963 1.00 63.22 C ATOM 1831 O ASP A 114 9.438 -6.297 9.489 1.00 45.40 O ATOM 1832 CB ASP A 114 11.520 -3.941 8.874 1.00 63.21 C ATOM 1833 CG ASP A 114 12.589 -3.282 7.989 1.00 54.55 C ATOM 1834 OD1 ASP A 114 13.653 -2.890 8.512 1.00 22.10 O ATOM 1835 OD2 ASP A 114 12.362 -3.146 6.764 1.00 65.13 O ATOM 0 H ASP A 114 10.722 -6.445 7.425 1.00 44.13 H new ATOM 0 HA ASP A 114 12.649 -5.700 9.492 1.00 53.33 H new ATOM 0 HB2 ASP A 114 10.538 -3.736 8.448 1.00 63.21 H new ATOM 0 HB3 ASP A 114 11.544 -3.474 9.858 1.00 63.21 H new ATOM 1840 N SER A 115 10.787 -5.871 11.287 1.00 43.23 N ATOM 1841 CA SER A 115 9.781 -6.132 12.339 1.00 0.21 C ATOM 1842 C SER A 115 8.625 -5.105 12.266 1.00 14.41 C ATOM 1843 O SER A 115 7.527 -5.361 12.761 1.00 31.03 O ATOM 1844 CB SER A 115 10.454 -6.087 13.730 1.00 13.10 C ATOM 1845 OG SER A 115 11.550 -6.995 13.815 1.00 30.43 O ATOM 0 H SER A 115 11.700 -5.610 11.659 1.00 43.23 H new ATOM 0 HA SER A 115 9.360 -7.124 12.178 1.00 0.21 H new ATOM 0 HB2 SER A 115 10.804 -5.075 13.933 1.00 13.10 H new ATOM 0 HB3 SER A 115 9.719 -6.330 14.498 1.00 13.10 H new ATOM 0 HG SER A 115 11.953 -6.939 14.707 1.00 30.43 H new ATOM 1851 N SER A 116 8.881 -3.967 11.586 1.00 2.23 N ATOM 1852 CA SER A 116 7.875 -2.924 11.284 1.00 1.44 C ATOM 1853 C SER A 116 6.667 -3.500 10.488 1.00 31.32 C ATOM 1854 O SER A 116 5.603 -2.864 10.401 1.00 30.12 O ATOM 1855 CB SER A 116 8.561 -1.772 10.504 1.00 45.40 C ATOM 1856 OG SER A 116 7.694 -0.662 10.301 1.00 23.24 O ATOM 0 H SER A 116 9.808 -3.743 11.225 1.00 2.23 H new ATOM 0 HA SER A 116 7.474 -2.540 12.222 1.00 1.44 H new ATOM 0 HB2 SER A 116 9.445 -1.444 11.050 1.00 45.40 H new ATOM 0 HB3 SER A 116 8.903 -2.144 9.538 1.00 45.40 H new ATOM 0 HG SER A 116 8.170 0.039 9.808 1.00 23.24 H new ATOM 1862 N CYS A 117 6.847 -4.726 9.948 1.00 12.52 N ATOM 1863 CA CYS A 117 5.795 -5.502 9.280 1.00 73.02 C ATOM 1864 C CYS A 117 4.807 -6.184 10.269 1.00 20.21 C ATOM 1865 O CYS A 117 4.013 -7.017 9.830 1.00 22.21 O ATOM 1866 CB CYS A 117 6.476 -6.558 8.385 1.00 53.34 C ATOM 1867 SG CYS A 117 5.366 -7.594 7.410 1.00 73.11 S ATOM 0 H CYS A 117 7.746 -5.207 9.968 1.00 12.52 H new ATOM 0 HA CYS A 117 5.190 -4.814 8.689 1.00 73.02 H new ATOM 0 HB2 CYS A 117 7.156 -6.046 7.704 1.00 53.34 H new ATOM 0 HB3 CYS A 117 7.085 -7.205 9.017 1.00 53.34 H new ATOM 0 HG CYS A 117 4.373 -7.985 8.153 1.00 73.11 H new ATOM 1873 N LYS A 118 4.847 -5.851 11.595 1.00 33.14 N ATOM 1874 CA LYS A 118 3.858 -6.386 12.586 1.00 53.31 C ATOM 1875 C LYS A 118 2.387 -6.211 12.131 1.00 75.13 C ATOM 1876 O LYS A 118 1.571 -7.118 12.328 1.00 51.40 O ATOM 1877 CB LYS A 118 4.056 -5.767 14.006 1.00 72.20 C ATOM 1878 CG LYS A 118 5.317 -6.255 14.764 1.00 22.52 C ATOM 1879 CD LYS A 118 5.410 -7.798 14.867 1.00 40.12 C ATOM 1880 CE LYS A 118 4.287 -8.409 15.726 1.00 3.23 C ATOM 1881 NZ LYS A 118 4.406 -9.891 15.815 1.00 60.14 N ATOM 0 H LYS A 118 5.543 -5.224 11.999 1.00 33.14 H new ATOM 0 HA LYS A 118 4.059 -7.456 12.642 1.00 53.31 H new ATOM 0 HB2 LYS A 118 4.106 -4.682 13.909 1.00 72.20 H new ATOM 0 HB3 LYS A 118 3.177 -5.993 14.610 1.00 72.20 H new ATOM 0 HG2 LYS A 118 6.206 -5.877 14.258 1.00 22.52 H new ATOM 0 HG3 LYS A 118 5.317 -5.830 15.768 1.00 22.52 H new ATOM 0 HD2 LYS A 118 5.369 -8.227 13.866 1.00 40.12 H new ATOM 0 HD3 LYS A 118 6.376 -8.071 15.292 1.00 40.12 H new ATOM 0 HE2 LYS A 118 4.321 -7.980 16.728 1.00 3.23 H new ATOM 0 HE3 LYS A 118 3.319 -8.147 15.300 1.00 3.23 H new ATOM 0 HZ1 LYS A 118 3.633 -10.267 16.401 1.00 60.14 H new ATOM 0 HZ2 LYS A 118 4.349 -10.302 14.861 1.00 60.14 H new ATOM 0 HZ3 LYS A 118 5.319 -10.141 16.245 1.00 60.14 H new ATOM 1895 N GLU A 119 2.082 -5.073 11.486 1.00 21.12 N ATOM 1896 CA GLU A 119 0.745 -4.802 10.890 1.00 12.13 C ATOM 1897 C GLU A 119 0.314 -5.939 9.928 1.00 42.32 C ATOM 1898 O GLU A 119 -0.857 -6.339 9.891 1.00 13.40 O ATOM 1899 CB GLU A 119 0.779 -3.446 10.130 1.00 62.43 C ATOM 1900 CG GLU A 119 1.833 -3.360 9.001 1.00 71.24 C ATOM 1901 CD GLU A 119 1.852 -1.998 8.305 1.00 52.14 C ATOM 1902 OE1 GLU A 119 1.018 -1.764 7.405 1.00 54.43 O ATOM 1903 OE2 GLU A 119 2.673 -1.138 8.676 1.00 62.15 O ATOM 0 H GLU A 119 2.748 -4.311 11.358 1.00 21.12 H new ATOM 0 HA GLU A 119 0.014 -4.753 11.697 1.00 12.13 H new ATOM 0 HB2 GLU A 119 -0.206 -3.261 9.702 1.00 62.43 H new ATOM 0 HB3 GLU A 119 0.970 -2.648 10.848 1.00 62.43 H new ATOM 0 HG2 GLU A 119 2.820 -3.564 9.416 1.00 71.24 H new ATOM 0 HG3 GLU A 119 1.631 -4.136 8.263 1.00 71.24 H new ATOM 1910 N ALA A 120 1.303 -6.468 9.194 1.00 63.22 N ATOM 1911 CA ALA A 120 1.125 -7.530 8.200 1.00 62.41 C ATOM 1912 C ALA A 120 1.267 -8.918 8.846 1.00 20.33 C ATOM 1913 O ALA A 120 0.846 -9.923 8.257 1.00 45.04 O ATOM 1914 CB ALA A 120 2.145 -7.331 7.079 1.00 10.32 C ATOM 0 H ALA A 120 2.272 -6.160 9.279 1.00 63.22 H new ATOM 0 HA ALA A 120 0.119 -7.475 7.783 1.00 62.41 H new ATOM 0 HB1 ALA A 120 2.023 -8.116 6.332 1.00 10.32 H new ATOM 0 HB2 ALA A 120 1.988 -6.358 6.612 1.00 10.32 H new ATOM 0 HB3 ALA A 120 3.153 -7.377 7.492 1.00 10.32 H new ATOM 1920 N ALA A 121 1.847 -8.965 10.073 1.00 2.00 N ATOM 1921 CA ALA A 121 1.978 -10.219 10.836 1.00 24.53 C ATOM 1922 C ALA A 121 0.587 -10.642 11.299 1.00 71.50 C ATOM 1923 O ALA A 121 0.188 -11.793 11.151 1.00 10.34 O ATOM 1924 CB ALA A 121 2.925 -10.051 12.039 1.00 52.12 C ATOM 0 H ALA A 121 2.228 -8.147 10.548 1.00 2.00 H new ATOM 0 HA ALA A 121 2.412 -10.988 10.197 1.00 24.53 H new ATOM 0 HB1 ALA A 121 2.998 -10.995 12.579 1.00 52.12 H new ATOM 0 HB2 ALA A 121 3.913 -9.757 11.686 1.00 52.12 H new ATOM 0 HB3 ALA A 121 2.534 -9.281 12.705 1.00 52.12 H new ATOM 1930 N ASP A 122 -0.152 -9.647 11.813 1.00 3.51 N ATOM 1931 CA ASP A 122 -1.561 -9.789 12.200 1.00 30.41 C ATOM 1932 C ASP A 122 -2.408 -10.147 10.959 1.00 3.25 C ATOM 1933 O ASP A 122 -3.251 -11.059 11.002 1.00 40.42 O ATOM 1934 CB ASP A 122 -2.046 -8.466 12.851 1.00 72.24 C ATOM 1935 CG ASP A 122 -3.443 -8.573 13.483 1.00 15.02 C ATOM 1936 OD1 ASP A 122 -4.451 -8.360 12.777 1.00 41.02 O ATOM 1937 OD2 ASP A 122 -3.540 -8.892 14.689 1.00 1.23 O ATOM 0 H ASP A 122 0.218 -8.710 11.973 1.00 3.51 H new ATOM 0 HA ASP A 122 -1.672 -10.594 12.927 1.00 30.41 H new ATOM 0 HB2 ASP A 122 -1.331 -8.163 13.616 1.00 72.24 H new ATOM 0 HB3 ASP A 122 -2.056 -7.680 12.095 1.00 72.24 H new ATOM 1942 N GLY A 123 -2.124 -9.438 9.841 1.00 64.24 N ATOM 1943 CA GLY A 123 -2.786 -9.688 8.550 1.00 54.44 C ATOM 1944 C GLY A 123 -2.579 -11.113 8.025 1.00 21.42 C ATOM 1945 O GLY A 123 -3.464 -11.659 7.351 1.00 42.15 O ATOM 0 H GLY A 123 -1.436 -8.685 9.813 1.00 64.24 H new ATOM 0 HA2 GLY A 123 -3.854 -9.499 8.656 1.00 54.44 H new ATOM 0 HA3 GLY A 123 -2.408 -8.979 7.813 1.00 54.44 H new ATOM 1949 N TYR A 124 -1.401 -11.706 8.337 1.00 33.20 N ATOM 1950 CA TYR A 124 -1.096 -13.111 8.006 1.00 33.13 C ATOM 1951 C TYR A 124 -2.122 -14.064 8.655 1.00 54.12 C ATOM 1952 O TYR A 124 -2.755 -14.845 7.938 1.00 51.33 O ATOM 1953 CB TYR A 124 0.358 -13.490 8.413 1.00 63.24 C ATOM 1954 CG TYR A 124 0.666 -15.002 8.301 1.00 24.34 C ATOM 1955 CD1 TYR A 124 0.472 -15.691 7.098 1.00 35.43 C ATOM 1956 CD2 TYR A 124 1.092 -15.747 9.404 1.00 41.41 C ATOM 1957 CE1 TYR A 124 0.690 -17.050 7.013 1.00 61.21 C ATOM 1958 CE2 TYR A 124 1.321 -17.109 9.308 1.00 61.14 C ATOM 1959 CZ TYR A 124 1.110 -17.751 8.112 1.00 25.34 C ATOM 1960 OH TYR A 124 1.303 -19.108 8.017 1.00 40.40 O ATOM 0 H TYR A 124 -0.644 -11.224 8.822 1.00 33.20 H new ATOM 0 HA TYR A 124 -1.171 -13.220 6.924 1.00 33.13 H new ATOM 0 HB2 TYR A 124 1.057 -12.939 7.783 1.00 63.24 H new ATOM 0 HB3 TYR A 124 0.533 -13.169 9.440 1.00 63.24 H new ATOM 0 HD1 TYR A 124 0.146 -15.149 6.222 1.00 35.43 H new ATOM 0 HD2 TYR A 124 1.246 -15.250 10.351 1.00 41.41 H new ATOM 0 HE1 TYR A 124 0.529 -17.563 6.077 1.00 61.21 H new ATOM 0 HE2 TYR A 124 1.664 -17.664 10.169 1.00 61.14 H new ATOM 0 HH TYR A 124 0.589 -19.575 8.499 1.00 40.40 H new ATOM 1970 N GLN A 125 -2.283 -13.971 10.002 1.00 74.23 N ATOM 1971 CA GLN A 125 -3.256 -14.795 10.787 1.00 60.41 C ATOM 1972 C GLN A 125 -4.652 -14.806 10.133 1.00 30.22 C ATOM 1973 O GLN A 125 -5.324 -15.837 10.089 1.00 54.11 O ATOM 1974 CB GLN A 125 -3.348 -14.269 12.261 1.00 44.12 C ATOM 1975 CG GLN A 125 -2.312 -14.855 13.251 1.00 64.23 C ATOM 1976 CD GLN A 125 -0.863 -14.754 12.776 1.00 31.41 C ATOM 1977 OE1 GLN A 125 -0.335 -15.674 12.157 1.00 22.43 O ATOM 1978 NE2 GLN A 125 -0.230 -13.627 13.035 1.00 13.11 N ATOM 0 H GLN A 125 -1.745 -13.324 10.579 1.00 74.23 H new ATOM 0 HA GLN A 125 -2.889 -15.821 10.797 1.00 60.41 H new ATOM 0 HB2 GLN A 125 -3.237 -13.185 12.248 1.00 44.12 H new ATOM 0 HB3 GLN A 125 -4.347 -14.482 12.641 1.00 44.12 H new ATOM 0 HG2 GLN A 125 -2.406 -14.338 14.206 1.00 64.23 H new ATOM 0 HG3 GLN A 125 -2.551 -15.903 13.431 1.00 64.23 H new ATOM 0 HE21 GLN A 125 -0.701 -12.885 13.552 1.00 13.11 H new ATOM 0 HE22 GLN A 125 0.731 -13.497 12.718 1.00 13.11 H new ATOM 1987 N ARG A 126 -5.035 -13.647 9.597 1.00 74.01 N ATOM 1988 CA ARG A 126 -6.325 -13.434 8.925 1.00 61.43 C ATOM 1989 C ARG A 126 -6.403 -14.177 7.560 1.00 72.53 C ATOM 1990 O ARG A 126 -7.446 -14.756 7.227 1.00 2.00 O ATOM 1991 CB ARG A 126 -6.525 -11.903 8.768 1.00 53.33 C ATOM 1992 CG ARG A 126 -7.775 -11.464 7.988 1.00 14.35 C ATOM 1993 CD ARG A 126 -7.926 -9.929 7.923 1.00 20.34 C ATOM 1994 NE ARG A 126 -8.757 -9.511 6.783 1.00 4.20 N ATOM 1995 CZ ARG A 126 -9.834 -8.712 6.821 1.00 43.10 C ATOM 1996 NH1 ARG A 126 -10.277 -8.205 7.968 1.00 13.53 N ATOM 1997 NH2 ARG A 126 -10.441 -8.402 5.686 1.00 4.52 N ATOM 0 H ARG A 126 -4.449 -12.812 9.616 1.00 74.01 H new ATOM 0 HA ARG A 126 -7.131 -13.854 9.526 1.00 61.43 H new ATOM 0 HB2 ARG A 126 -6.566 -11.458 9.762 1.00 53.33 H new ATOM 0 HB3 ARG A 126 -5.647 -11.491 8.271 1.00 53.33 H new ATOM 0 HG2 ARG A 126 -7.726 -11.864 6.975 1.00 14.35 H new ATOM 0 HG3 ARG A 126 -8.661 -11.893 8.457 1.00 14.35 H new ATOM 0 HD2 ARG A 126 -8.372 -9.568 8.850 1.00 20.34 H new ATOM 0 HD3 ARG A 126 -6.941 -9.470 7.843 1.00 20.34 H new ATOM 0 HE ARG A 126 -8.485 -9.867 5.866 1.00 4.20 H new ATOM 0 HH11 ARG A 126 -9.796 -8.422 8.841 1.00 13.53 H new ATOM 0 HH12 ARG A 126 -11.098 -7.600 7.975 1.00 13.53 H new ATOM 0 HH21 ARG A 126 -10.088 -8.769 4.802 1.00 4.52 H new ATOM 0 HH22 ARG A 126 -11.261 -7.796 5.695 1.00 4.52 H new ATOM 2011 N CYS A 127 -5.288 -14.195 6.797 1.00 20.42 N ATOM 2012 CA CYS A 127 -5.261 -14.776 5.428 1.00 31.22 C ATOM 2013 C CYS A 127 -5.125 -16.310 5.464 1.00 33.30 C ATOM 2014 O CYS A 127 -5.782 -17.016 4.684 1.00 31.22 O ATOM 2015 CB CYS A 127 -4.125 -14.147 4.595 1.00 23.44 C ATOM 2016 SG CYS A 127 -4.376 -12.396 4.261 1.00 74.44 S ATOM 0 H CYS A 127 -4.392 -13.815 7.102 1.00 20.42 H new ATOM 0 HA CYS A 127 -6.213 -14.543 4.951 1.00 31.22 H new ATOM 0 HB2 CYS A 127 -3.181 -14.278 5.123 1.00 23.44 H new ATOM 0 HB3 CYS A 127 -4.038 -14.682 3.649 1.00 23.44 H new ATOM 0 HG CYS A 127 -5.609 -12.077 4.522 1.00 74.44 H new ATOM 2022 N MET A 128 -4.264 -16.829 6.366 1.00 51.33 N ATOM 2023 CA MET A 128 -4.051 -18.284 6.511 1.00 14.22 C ATOM 2024 C MET A 128 -5.329 -18.962 7.033 1.00 75.43 C ATOM 2025 O MET A 128 -5.772 -19.973 6.471 1.00 53.30 O ATOM 2026 CB MET A 128 -2.825 -18.619 7.422 1.00 20.42 C ATOM 2027 CG MET A 128 -2.883 -18.073 8.860 1.00 2.34 C ATOM 2028 SD MET A 128 -1.638 -18.810 9.947 1.00 63.01 S ATOM 2029 CE MET A 128 -2.197 -20.515 10.015 1.00 20.33 C ATOM 0 H MET A 128 -3.706 -16.262 7.004 1.00 51.33 H new ATOM 0 HA MET A 128 -3.822 -18.680 5.522 1.00 14.22 H new ATOM 0 HB2 MET A 128 -2.719 -19.703 7.470 1.00 20.42 H new ATOM 0 HB3 MET A 128 -1.926 -18.232 6.944 1.00 20.42 H new ATOM 0 HG2 MET A 128 -2.744 -16.992 8.838 1.00 2.34 H new ATOM 0 HG3 MET A 128 -3.874 -18.259 9.274 1.00 2.34 H new ATOM 0 HE1 MET A 128 -1.830 -20.982 10.929 1.00 20.33 H new ATOM 0 HE2 MET A 128 -3.287 -20.541 10.006 1.00 20.33 H new ATOM 0 HE3 MET A 128 -1.814 -21.058 9.151 1.00 20.33 H new ATOM 2039 N MET A 129 -5.957 -18.356 8.069 1.00 54.45 N ATOM 2040 CA MET A 129 -7.181 -18.907 8.681 1.00 44.43 C ATOM 2041 C MET A 129 -8.345 -18.901 7.676 1.00 0.34 C ATOM 2042 O MET A 129 -9.215 -19.749 7.762 1.00 71.35 O ATOM 2043 CB MET A 129 -7.604 -18.136 9.976 1.00 70.43 C ATOM 2044 CG MET A 129 -8.366 -16.822 9.737 1.00 2.24 C ATOM 2045 SD MET A 129 -9.039 -16.090 11.240 1.00 32.31 S ATOM 2046 CE MET A 129 -10.115 -14.836 10.541 1.00 43.11 C ATOM 0 H MET A 129 -5.634 -17.487 8.495 1.00 54.45 H new ATOM 0 HA MET A 129 -6.948 -19.933 8.965 1.00 44.43 H new ATOM 0 HB2 MET A 129 -8.227 -18.793 10.583 1.00 70.43 H new ATOM 0 HB3 MET A 129 -6.709 -17.917 10.558 1.00 70.43 H new ATOM 0 HG2 MET A 129 -7.696 -16.105 9.263 1.00 2.24 H new ATOM 0 HG3 MET A 129 -9.181 -17.007 9.037 1.00 2.24 H new ATOM 0 HE1 MET A 129 -10.609 -14.291 11.345 1.00 43.11 H new ATOM 0 HE2 MET A 129 -9.525 -14.143 9.942 1.00 43.11 H new ATOM 0 HE3 MET A 129 -10.866 -15.312 9.910 1.00 43.11 H new ATOM 2056 N ALA A 130 -8.324 -17.941 6.726 1.00 25.23 N ATOM 2057 CA ALA A 130 -9.420 -17.725 5.760 1.00 13.43 C ATOM 2058 C ALA A 130 -9.689 -18.972 4.898 1.00 23.02 C ATOM 2059 O ALA A 130 -10.849 -19.314 4.627 1.00 12.52 O ATOM 2060 CB ALA A 130 -9.119 -16.504 4.882 1.00 25.21 C ATOM 0 H ALA A 130 -7.545 -17.294 6.608 1.00 25.23 H new ATOM 0 HA ALA A 130 -10.330 -17.534 6.330 1.00 13.43 H new ATOM 0 HB1 ALA A 130 -9.934 -16.355 4.174 1.00 25.21 H new ATOM 0 HB2 ALA A 130 -9.019 -15.619 5.511 1.00 25.21 H new ATOM 0 HB3 ALA A 130 -8.190 -16.668 4.336 1.00 25.21 H new ATOM 2066 N GLN A 131 -8.608 -19.647 4.474 1.00 54.32 N ATOM 2067 CA GLN A 131 -8.706 -20.918 3.717 1.00 41.34 C ATOM 2068 C GLN A 131 -8.796 -22.132 4.659 1.00 11.23 C ATOM 2069 O GLN A 131 -9.337 -23.172 4.276 1.00 31.44 O ATOM 2070 CB GLN A 131 -7.529 -21.087 2.721 1.00 10.15 C ATOM 2071 CG GLN A 131 -6.130 -20.885 3.312 1.00 42.13 C ATOM 2072 CD GLN A 131 -5.002 -21.207 2.330 1.00 10.52 C ATOM 2073 OE1 GLN A 131 -5.156 -22.011 1.413 1.00 1.01 O ATOM 2074 NE2 GLN A 131 -3.847 -20.620 2.539 1.00 2.52 N ATOM 0 H GLN A 131 -7.651 -19.337 4.641 1.00 54.32 H new ATOM 0 HA GLN A 131 -9.629 -20.869 3.139 1.00 41.34 H new ATOM 0 HB2 GLN A 131 -7.581 -22.087 2.290 1.00 10.15 H new ATOM 0 HB3 GLN A 131 -7.664 -20.380 1.903 1.00 10.15 H new ATOM 0 HG2 GLN A 131 -6.029 -19.851 3.643 1.00 42.13 H new ATOM 0 HG3 GLN A 131 -6.023 -21.514 4.196 1.00 42.13 H new ATOM 0 HE21 GLN A 131 -3.744 -19.956 3.307 1.00 2.52 H new ATOM 0 HE22 GLN A 131 -3.053 -20.828 1.934 1.00 2.52 H new ATOM 2083 N TYR A 132 -8.276 -22.005 5.898 1.00 12.31 N ATOM 2084 CA TYR A 132 -8.308 -23.108 6.896 1.00 44.14 C ATOM 2085 C TYR A 132 -9.433 -22.844 7.929 1.00 1.04 C ATOM 2086 O TYR A 132 -9.272 -23.116 9.127 1.00 53.22 O ATOM 2087 CB TYR A 132 -6.919 -23.247 7.615 1.00 5.00 C ATOM 2088 CG TYR A 132 -5.681 -23.280 6.699 1.00 24.04 C ATOM 2089 CD1 TYR A 132 -5.728 -23.837 5.417 1.00 22.20 C ATOM 2090 CD2 TYR A 132 -4.470 -22.715 7.115 1.00 11.24 C ATOM 2091 CE1 TYR A 132 -4.617 -23.833 4.598 1.00 23.42 C ATOM 2092 CE2 TYR A 132 -3.362 -22.715 6.296 1.00 21.34 C ATOM 2093 CZ TYR A 132 -3.442 -23.269 5.041 1.00 0.01 C ATOM 2094 OH TYR A 132 -2.339 -23.258 4.222 1.00 71.25 O ATOM 0 H TYR A 132 -7.828 -21.153 6.236 1.00 12.31 H new ATOM 0 HA TYR A 132 -8.513 -24.046 6.379 1.00 44.14 H new ATOM 0 HB2 TYR A 132 -6.808 -22.415 8.311 1.00 5.00 H new ATOM 0 HB3 TYR A 132 -6.930 -24.161 8.209 1.00 5.00 H new ATOM 0 HD1 TYR A 132 -6.648 -24.277 5.062 1.00 22.20 H new ATOM 0 HD2 TYR A 132 -4.403 -22.270 8.097 1.00 11.24 H new ATOM 0 HE1 TYR A 132 -4.669 -24.271 3.612 1.00 23.42 H new ATOM 0 HE2 TYR A 132 -2.434 -22.281 6.639 1.00 21.34 H new ATOM 0 HH TYR A 132 -1.593 -22.822 4.684 1.00 71.25 H new ATOM 2104 N ASN A 133 -10.587 -22.335 7.444 1.00 31.41 N ATOM 2105 CA ASN A 133 -11.708 -21.901 8.303 1.00 4.53 C ATOM 2106 C ASN A 133 -12.842 -22.951 8.225 1.00 41.43 C ATOM 2107 O ASN A 133 -13.001 -23.745 9.170 1.00 23.15 O ATOM 2108 CB ASN A 133 -12.215 -20.480 7.865 1.00 32.43 C ATOM 2109 CG ASN A 133 -12.535 -19.575 9.052 1.00 43.32 C ATOM 2110 OD1 ASN A 133 -13.650 -19.559 9.570 1.00 61.24 O ATOM 2111 ND2 ASN A 133 -11.546 -18.816 9.492 1.00 24.42 N ATOM 2112 OXT ASN A 133 -13.542 -23.011 7.186 1.00 37.69 O ATOM 0 H ASN A 133 -10.766 -22.214 6.447 1.00 31.41 H new ATOM 0 HA ASN A 133 -11.371 -21.824 9.337 1.00 4.53 H new ATOM 0 HB2 ASN A 133 -11.456 -20.003 7.245 1.00 32.43 H new ATOM 0 HB3 ASN A 133 -13.107 -20.591 7.248 1.00 32.43 H new ATOM 0 HD21 ASN A 133 -11.696 -18.192 10.285 1.00 24.42 H new ATOM 0 HD22 ASN A 133 -10.633 -18.854 9.039 1.00 24.42 H new TER 2119 ASN A 133