USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 974 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 33 SER OG : rot 84:sc= 0.237 USER MOD Set 1.2: A 49 THR OG1 : rot 120:sc= -0.358 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.99 K(o=0.11,f=-4.3!) USER MOD Set 2.2: A 19 SER OG : rot -93:sc= 1.1 USER MOD Set 3.1: A 7 TYR OH : rot 13:sc= 0.697 USER MOD Set 3.2: A 27 ASN : amide:sc=-0.00832 X(o=0.69,f=0.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -115:sc= -0.0359 (180deg=-0.43) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 16 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0728) USER MOD Single : A 26 THR OG1 : rot -57:sc= 0.206 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 43 SER OG : rot 68:sc= 0.146 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.138) USER MOD Single : A 46 SER OG : rot 6:sc= 0.925 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0511) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.553 (180deg=0.419) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.203) USER MOD Single : A 61 ASN : amide:sc= -0.63 K(o=-0.63,f=-4.1!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0857) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -114:sc= 0.337 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.105) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00757 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -127:sc= 1.29 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0786) USER MOD Single : A 89 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.93!) USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.16) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -179:sc= -1.33 (180deg=-1.33) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0465) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc=-0.00783 K(o=-0.0078,f=-0.94) USER MOD Single : A 120 LYS NZ :NH3+ 146:sc= 0.752 (180deg=0.0969) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 118.002 19.064 2.745 1.00 0.00 N ATOM 2 CA GLY A -3 119.234 18.226 2.696 1.00 0.00 C ATOM 3 C GLY A -3 118.881 16.777 3.035 1.00 0.00 C ATOM 4 O GLY A -3 118.874 16.386 4.188 1.00 0.00 O ATOM 0 H1 GLY A -3 118.243 20.049 2.514 1.00 0.00 H new ATOM 0 H2 GLY A -3 117.311 18.706 2.055 1.00 0.00 H new ATOM 0 H3 GLY A -3 117.592 19.022 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A -3 119.683 18.279 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A -3 119.973 18.606 3.402 1.00 0.00 H new ATOM 10 N ALA A -2 118.587 15.979 2.036 1.00 0.00 N ATOM 11 CA ALA A -2 118.230 14.550 2.286 1.00 0.00 C ATOM 12 C ALA A -2 119.402 13.639 1.906 1.00 0.00 C ATOM 13 O ALA A -2 120.176 13.949 1.019 1.00 0.00 O ATOM 14 CB ALA A -2 117.027 14.278 1.384 1.00 0.00 C ATOM 0 H ALA A -2 118.580 16.259 1.055 1.00 0.00 H new ATOM 0 HA ALA A -2 118.004 14.358 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A -2 116.704 13.245 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A -2 116.211 14.949 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A -2 117.307 14.446 0.344 1.00 0.00 H new ATOM 20 N MET A -1 119.535 12.517 2.575 1.00 0.00 N ATOM 21 CA MET A -1 120.660 11.574 2.266 1.00 0.00 C ATOM 22 C MET A -1 120.504 11.003 0.852 1.00 0.00 C ATOM 23 O MET A -1 121.477 10.775 0.157 1.00 0.00 O ATOM 24 CB MET A -1 120.554 10.457 3.309 1.00 0.00 C ATOM 25 CG MET A -1 121.793 9.564 3.231 1.00 0.00 C ATOM 26 SD MET A -1 121.594 8.155 4.350 1.00 0.00 S ATOM 27 CE MET A -1 120.485 7.184 3.300 1.00 0.00 C ATOM 0 H MET A -1 118.912 12.213 3.323 1.00 0.00 H new ATOM 0 HA MET A -1 121.629 12.072 2.303 1.00 0.00 H new ATOM 0 HB2 MET A -1 120.464 10.885 4.307 1.00 0.00 H new ATOM 0 HB3 MET A -1 119.655 9.866 3.133 1.00 0.00 H new ATOM 0 HG2 MET A -1 121.937 9.213 2.209 1.00 0.00 H new ATOM 0 HG3 MET A -1 122.682 10.134 3.501 1.00 0.00 H new ATOM 0 HE1 MET A -1 119.513 7.093 3.784 1.00 0.00 H new ATOM 0 HE2 MET A -1 120.366 7.682 2.338 1.00 0.00 H new ATOM 0 HE3 MET A -1 120.907 6.191 3.145 1.00 0.00 H new ATOM 37 N GLY A 0 119.285 10.772 0.426 1.00 0.00 N ATOM 38 CA GLY A 0 119.052 10.208 -0.936 1.00 0.00 C ATOM 39 C GLY A 0 117.601 9.738 -1.055 1.00 0.00 C ATOM 40 O GLY A 0 116.748 10.138 -0.284 1.00 0.00 O ATOM 0 H GLY A 0 118.440 10.952 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.264 10.962 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 0 119.731 9.375 -1.117 1.00 0.00 H new ATOM 44 N MET A 1 117.320 8.892 -2.017 1.00 0.00 N ATOM 45 CA MET A 1 115.924 8.383 -2.194 1.00 0.00 C ATOM 46 C MET A 1 115.726 7.099 -1.385 1.00 0.00 C ATOM 47 O MET A 1 116.650 6.328 -1.196 1.00 0.00 O ATOM 48 CB MET A 1 115.786 8.101 -3.692 1.00 0.00 C ATOM 49 CG MET A 1 115.840 9.419 -4.468 1.00 0.00 C ATOM 50 SD MET A 1 115.560 9.096 -6.227 1.00 0.00 S ATOM 51 CE MET A 1 115.895 10.772 -6.821 1.00 0.00 C ATOM 0 H MET A 1 117.999 8.532 -2.688 1.00 0.00 H new ATOM 0 HA MET A 1 115.178 9.098 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.586 7.439 -4.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.845 7.588 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.085 10.108 -4.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.809 9.898 -4.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.778 10.804 -7.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.195 11.468 -6.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.914 11.054 -6.557 1.00 0.00 H new ATOM 61 N SER A 2 114.527 6.866 -0.906 1.00 0.00 N ATOM 62 CA SER A 2 114.263 5.651 -0.075 1.00 0.00 C ATOM 63 C SER A 2 113.228 4.751 -0.758 1.00 0.00 C ATOM 64 O SER A 2 112.368 5.220 -1.480 1.00 0.00 O ATOM 65 CB SER A 2 113.714 6.189 1.246 1.00 0.00 C ATOM 66 OG SER A 2 114.668 7.068 1.828 1.00 0.00 O ATOM 0 H SER A 2 113.718 7.468 -1.056 1.00 0.00 H new ATOM 0 HA SER A 2 115.160 5.048 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.775 6.715 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 113.499 5.365 1.926 1.00 0.00 H new ATOM 0 HG SER A 2 114.318 7.416 2.675 1.00 0.00 H new ATOM 72 N VAL A 3 113.312 3.462 -0.533 1.00 0.00 N ATOM 73 CA VAL A 3 112.327 2.513 -1.153 1.00 0.00 C ATOM 74 C VAL A 3 110.929 2.741 -0.558 1.00 0.00 C ATOM 75 O VAL A 3 109.928 2.534 -1.218 1.00 0.00 O ATOM 76 CB VAL A 3 112.840 1.101 -0.816 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.906 0.046 -1.422 1.00 0.00 C ATOM 78 CG2 VAL A 3 114.246 0.910 -1.395 1.00 0.00 C ATOM 0 H VAL A 3 114.021 3.023 0.054 1.00 0.00 H new ATOM 0 HA VAL A 3 112.243 2.658 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 3 112.867 0.987 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 3 112.276 -0.950 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.903 0.170 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.874 0.167 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 3 114.606 -0.090 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 3 114.214 1.033 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.920 1.651 -0.965 1.00 0.00 H new ATOM 88 N ALA A 4 110.857 3.168 0.683 1.00 0.00 N ATOM 89 CA ALA A 4 109.524 3.374 1.345 1.00 0.00 C ATOM 90 C ALA A 4 108.696 4.419 0.586 1.00 0.00 C ATOM 91 O ALA A 4 107.479 4.381 0.597 1.00 0.00 O ATOM 92 CB ALA A 4 109.844 3.872 2.757 1.00 0.00 C ATOM 0 H ALA A 4 111.665 3.383 1.267 1.00 0.00 H new ATOM 0 HA ALA A 4 108.936 2.456 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 4 108.915 4.044 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 4 110.438 3.123 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 4 110.407 4.803 2.695 1.00 0.00 H new ATOM 98 N ASP A 5 109.349 5.349 -0.072 1.00 0.00 N ATOM 99 CA ASP A 5 108.604 6.385 -0.864 1.00 0.00 C ATOM 100 C ASP A 5 107.824 5.724 -2.005 1.00 0.00 C ATOM 101 O ASP A 5 106.711 6.113 -2.313 1.00 0.00 O ATOM 102 CB ASP A 5 109.679 7.323 -1.425 1.00 0.00 C ATOM 103 CG ASP A 5 110.363 8.070 -0.277 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.664 8.500 0.626 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.575 8.201 -0.321 1.00 0.00 O ATOM 0 H ASP A 5 110.365 5.437 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 5 107.880 6.921 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.416 6.751 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.229 8.034 -2.117 1.00 0.00 H new ATOM 110 N PHE A 6 108.402 4.727 -2.632 1.00 0.00 N ATOM 111 CA PHE A 6 107.681 3.997 -3.724 1.00 0.00 C ATOM 112 C PHE A 6 106.521 3.185 -3.138 1.00 0.00 C ATOM 113 O PHE A 6 105.494 3.014 -3.769 1.00 0.00 O ATOM 114 CB PHE A 6 108.723 3.070 -4.355 1.00 0.00 C ATOM 115 CG PHE A 6 109.846 3.809 -5.043 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.009 4.163 -4.316 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.737 4.146 -6.414 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.063 4.855 -4.961 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.792 4.839 -7.059 1.00 0.00 C ATOM 120 CZ PHE A 6 111.954 5.192 -6.333 1.00 0.00 C ATOM 0 H PHE A 6 109.343 4.387 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 6 107.255 4.679 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.142 2.427 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.230 2.420 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.092 3.905 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.850 3.875 -6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.950 5.126 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.709 5.097 -8.104 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.758 5.719 -6.825 1.00 0.00 H new ATOM 130 N TYR A 7 106.682 2.685 -1.936 1.00 0.00 N ATOM 131 CA TYR A 7 105.571 1.926 -1.267 1.00 0.00 C ATOM 132 C TYR A 7 104.364 2.849 -1.043 1.00 0.00 C ATOM 133 O TYR A 7 104.484 3.904 -0.447 1.00 0.00 O ATOM 134 CB TYR A 7 106.154 1.466 0.076 1.00 0.00 C ATOM 135 CG TYR A 7 105.505 0.224 0.656 1.00 0.00 C ATOM 136 CD1 TYR A 7 104.096 0.059 0.618 1.00 0.00 C ATOM 137 CD2 TYR A 7 106.313 -0.771 1.262 1.00 0.00 C ATOM 138 CE1 TYR A 7 103.500 -1.093 1.186 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.715 -1.926 1.824 1.00 0.00 C ATOM 140 CZ TYR A 7 104.312 -2.085 1.789 1.00 0.00 C ATOM 141 OH TYR A 7 103.735 -3.207 2.350 1.00 0.00 O ATOM 0 H TYR A 7 107.537 2.769 -1.386 1.00 0.00 H new ATOM 0 HA TYR A 7 105.223 1.085 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 7 107.220 1.277 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 7 106.059 2.279 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 7 103.477 0.813 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 7 107.386 -0.648 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 7 102.427 -1.215 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.333 -2.686 2.280 1.00 0.00 H new ATOM 0 HH TYR A 7 102.797 -3.266 2.072 1.00 0.00 H new ATOM 151 N GLY A 8 103.208 2.456 -1.519 1.00 0.00 N ATOM 152 CA GLY A 8 101.996 3.325 -1.397 1.00 0.00 C ATOM 153 C GLY A 8 101.954 4.365 -2.530 1.00 0.00 C ATOM 154 O GLY A 8 101.048 5.177 -2.587 1.00 0.00 O ATOM 0 H GLY A 8 103.051 1.565 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 8 101.097 2.710 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.002 3.832 -0.432 1.00 0.00 H new ATOM 158 N SER A 9 102.917 4.355 -3.427 1.00 0.00 N ATOM 159 CA SER A 9 102.881 5.302 -4.585 1.00 0.00 C ATOM 160 C SER A 9 102.079 4.691 -5.737 1.00 0.00 C ATOM 161 O SER A 9 102.056 3.486 -5.914 1.00 0.00 O ATOM 162 CB SER A 9 104.342 5.498 -4.992 1.00 0.00 C ATOM 163 OG SER A 9 104.414 6.473 -6.024 1.00 0.00 O ATOM 0 H SER A 9 103.724 3.731 -3.404 1.00 0.00 H new ATOM 0 HA SER A 9 102.404 6.248 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.932 5.817 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.765 4.555 -5.337 1.00 0.00 H new ATOM 0 HG SER A 9 105.349 6.603 -6.287 1.00 0.00 H new ATOM 169 N ASN A 10 101.422 5.512 -6.520 1.00 0.00 N ATOM 170 CA ASN A 10 100.652 4.987 -7.690 1.00 0.00 C ATOM 171 C ASN A 10 101.523 5.021 -8.947 1.00 0.00 C ATOM 172 O ASN A 10 101.904 6.074 -9.424 1.00 0.00 O ATOM 173 CB ASN A 10 99.457 5.930 -7.839 1.00 0.00 C ATOM 174 CG ASN A 10 98.442 5.326 -8.814 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.812 4.669 -9.767 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.168 5.523 -8.614 1.00 0.00 N ATOM 0 H ASN A 10 101.386 6.524 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 10 100.336 3.954 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.989 6.096 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.791 6.902 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.483 5.126 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.857 6.074 -7.814 1.00 0.00 H new ATOM 183 N VAL A 11 101.833 3.868 -9.482 1.00 0.00 N ATOM 184 CA VAL A 11 102.657 3.802 -10.728 1.00 0.00 C ATOM 185 C VAL A 11 101.999 2.847 -11.728 1.00 0.00 C ATOM 186 O VAL A 11 101.143 2.060 -11.367 1.00 0.00 O ATOM 187 CB VAL A 11 104.035 3.274 -10.291 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.692 4.278 -9.343 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.890 1.923 -9.574 1.00 0.00 C ATOM 0 H VAL A 11 101.549 2.963 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 11 102.747 4.772 -11.216 1.00 0.00 H new ATOM 0 HB VAL A 11 104.654 3.141 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.668 3.902 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.816 5.233 -9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.415 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.874 1.564 -9.272 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.261 2.045 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.432 1.200 -10.249 1.00 0.00 H new ATOM 199 N GLU A 12 102.389 2.910 -12.978 1.00 0.00 N ATOM 200 CA GLU A 12 101.891 1.912 -13.969 1.00 0.00 C ATOM 201 C GLU A 12 103.072 1.119 -14.540 1.00 0.00 C ATOM 202 O GLU A 12 104.158 1.638 -14.700 1.00 0.00 O ATOM 203 CB GLU A 12 101.209 2.743 -15.063 1.00 0.00 C ATOM 204 CG GLU A 12 100.610 1.816 -16.129 1.00 0.00 C ATOM 205 CD GLU A 12 99.942 2.657 -17.218 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.000 3.365 -16.900 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.383 2.578 -18.353 1.00 0.00 O ATOM 0 H GLU A 12 103.030 3.610 -13.352 1.00 0.00 H new ATOM 0 HA GLU A 12 101.203 1.189 -13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.426 3.362 -14.626 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.931 3.419 -15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.391 1.192 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.881 1.145 -15.675 1.00 0.00 H new ATOM 214 N VAL A 13 102.860 -0.136 -14.841 1.00 0.00 N ATOM 215 CA VAL A 13 103.961 -0.974 -15.403 1.00 0.00 C ATOM 216 C VAL A 13 103.458 -1.735 -16.632 1.00 0.00 C ATOM 217 O VAL A 13 102.324 -2.176 -16.669 1.00 0.00 O ATOM 218 CB VAL A 13 104.347 -1.948 -14.271 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.193 -2.915 -13.967 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.577 -2.757 -14.691 1.00 0.00 C ATOM 0 H VAL A 13 101.969 -0.618 -14.721 1.00 0.00 H new ATOM 0 HA VAL A 13 104.816 -0.379 -15.725 1.00 0.00 H new ATOM 0 HB VAL A 13 104.566 -1.366 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.488 -3.593 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.315 -2.348 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 13 102.956 -3.492 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.850 -3.445 -13.891 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.349 -3.322 -15.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.408 -2.080 -14.887 1.00 0.00 H new ATOM 230 N LEU A 14 104.286 -1.890 -17.634 1.00 0.00 N ATOM 231 CA LEU A 14 103.951 -2.875 -18.703 1.00 0.00 C ATOM 232 C LEU A 14 104.604 -4.209 -18.381 1.00 0.00 C ATOM 233 O LEU A 14 105.755 -4.264 -17.988 1.00 0.00 O ATOM 234 CB LEU A 14 104.519 -2.344 -20.027 1.00 0.00 C ATOM 235 CG LEU A 14 104.019 -0.923 -20.365 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.965 -0.780 -21.886 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.615 -0.672 -19.806 1.00 0.00 C ATOM 0 H LEU A 14 105.164 -1.386 -17.757 1.00 0.00 H new ATOM 0 HA LEU A 14 102.872 -3.010 -18.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.608 -2.338 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.243 -3.023 -20.834 1.00 0.00 H new ATOM 0 HG LEU A 14 104.702 -0.201 -19.918 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.614 0.219 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.961 -0.933 -22.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.282 -1.523 -22.297 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.296 0.338 -20.063 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.919 -1.393 -20.235 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.630 -0.782 -18.722 1.00 0.00 H new ATOM 249 N LEU A 15 103.881 -5.281 -18.539 1.00 0.00 N ATOM 250 CA LEU A 15 104.500 -6.623 -18.352 1.00 0.00 C ATOM 251 C LEU A 15 105.158 -7.079 -19.656 1.00 0.00 C ATOM 252 O LEU A 15 105.040 -6.430 -20.679 1.00 0.00 O ATOM 253 CB LEU A 15 103.351 -7.560 -17.964 1.00 0.00 C ATOM 254 CG LEU A 15 102.764 -7.132 -16.617 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.462 -7.892 -16.362 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.762 -7.448 -15.500 1.00 0.00 C ATOM 0 H LEU A 15 102.892 -5.287 -18.789 1.00 0.00 H new ATOM 0 HA LEU A 15 105.276 -6.614 -17.587 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.577 -7.538 -18.731 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.712 -8.587 -17.904 1.00 0.00 H new ATOM 0 HG LEU A 15 102.564 -6.061 -16.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.044 -7.587 -15.403 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.749 -7.669 -17.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.663 -8.963 -16.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.343 -7.143 -14.541 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.963 -8.519 -15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.691 -6.907 -15.679 1.00 0.00 H new ATOM 268 N ASN A 16 105.851 -8.191 -19.622 1.00 0.00 N ATOM 269 CA ASN A 16 106.601 -8.672 -20.836 1.00 0.00 C ATOM 270 C ASN A 16 105.662 -8.869 -22.039 1.00 0.00 C ATOM 271 O ASN A 16 106.099 -8.877 -23.175 1.00 0.00 O ATOM 272 CB ASN A 16 107.241 -10.010 -20.423 1.00 0.00 C ATOM 273 CG ASN A 16 106.162 -11.007 -19.979 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.267 -11.330 -20.735 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.212 -11.508 -18.774 1.00 0.00 N ATOM 0 H ASN A 16 105.933 -8.793 -18.803 1.00 0.00 H new ATOM 0 HA ASN A 16 107.347 -7.942 -21.151 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.805 -10.424 -21.259 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.949 -9.846 -19.611 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.500 -12.171 -18.467 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.963 -11.237 -18.140 1.00 0.00 H new ATOM 282 N ASN A 17 104.383 -9.025 -21.796 1.00 0.00 N ATOM 283 CA ASN A 17 103.426 -9.279 -22.919 1.00 0.00 C ATOM 284 C ASN A 17 102.743 -7.974 -23.369 1.00 0.00 C ATOM 285 O ASN A 17 101.651 -7.999 -23.907 1.00 0.00 O ATOM 286 CB ASN A 17 102.399 -10.281 -22.363 1.00 0.00 C ATOM 287 CG ASN A 17 101.647 -9.680 -21.169 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.980 -8.676 -21.303 1.00 0.00 O ATOM 289 ND2 ASN A 17 101.731 -10.260 -20.003 1.00 0.00 N ATOM 0 H ASN A 17 103.960 -8.987 -20.868 1.00 0.00 H new ATOM 0 HA ASN A 17 103.933 -9.672 -23.800 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.691 -10.555 -23.145 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.905 -11.196 -22.057 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.235 -9.869 -19.202 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.293 -11.104 -19.893 1.00 0.00 H new ATOM 296 N ASP A 18 103.376 -6.832 -23.152 1.00 0.00 N ATOM 297 CA ASP A 18 102.865 -5.534 -23.718 1.00 0.00 C ATOM 298 C ASP A 18 101.450 -5.231 -23.207 1.00 0.00 C ATOM 299 O ASP A 18 100.683 -4.550 -23.863 1.00 0.00 O ATOM 300 CB ASP A 18 102.859 -5.702 -25.246 1.00 0.00 C ATOM 301 CG ASP A 18 104.290 -5.919 -25.746 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.704 -7.064 -25.815 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.946 -4.937 -26.050 1.00 0.00 O ATOM 0 H ASP A 18 104.231 -6.747 -22.602 1.00 0.00 H new ATOM 0 HA ASP A 18 103.497 -4.700 -23.411 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.233 -6.549 -25.526 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.429 -4.818 -25.717 1.00 0.00 H new ATOM 308 N SER A 19 101.097 -5.734 -22.045 1.00 0.00 N ATOM 309 CA SER A 19 99.836 -5.284 -21.384 1.00 0.00 C ATOM 310 C SER A 19 100.175 -4.295 -20.270 1.00 0.00 C ATOM 311 O SER A 19 101.157 -4.460 -19.568 1.00 0.00 O ATOM 312 CB SER A 19 99.202 -6.552 -20.810 1.00 0.00 C ATOM 313 OG SER A 19 99.970 -7.007 -19.702 1.00 0.00 O ATOM 0 H SER A 19 101.629 -6.435 -21.530 1.00 0.00 H new ATOM 0 HA SER A 19 99.157 -4.781 -22.073 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.178 -6.350 -20.497 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.155 -7.326 -21.576 1.00 0.00 H new ATOM 0 HG SER A 19 100.628 -7.666 -20.008 1.00 0.00 H new ATOM 319 N LYS A 20 99.376 -3.272 -20.100 1.00 0.00 N ATOM 320 CA LYS A 20 99.709 -2.221 -19.092 1.00 0.00 C ATOM 321 C LYS A 20 98.744 -2.281 -17.901 1.00 0.00 C ATOM 322 O LYS A 20 97.554 -2.473 -18.063 1.00 0.00 O ATOM 323 CB LYS A 20 99.581 -0.880 -19.839 1.00 0.00 C ATOM 324 CG LYS A 20 98.140 -0.645 -20.312 1.00 0.00 C ATOM 325 CD LYS A 20 98.057 0.711 -21.010 1.00 0.00 C ATOM 326 CE LYS A 20 96.610 0.985 -21.421 1.00 0.00 C ATOM 327 NZ LYS A 20 95.956 1.520 -20.194 1.00 0.00 N ATOM 0 H LYS A 20 98.509 -3.120 -20.615 1.00 0.00 H new ATOM 0 HA LYS A 20 100.710 -2.358 -18.682 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.889 -0.065 -19.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.254 -0.872 -20.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.834 -1.438 -20.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.456 -0.673 -19.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.412 1.497 -20.344 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.704 0.721 -21.887 1.00 0.00 H new ATOM 0 HE2 LYS A 20 96.561 1.703 -22.239 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.118 0.075 -21.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.010 1.100 -20.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.531 1.280 -19.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.870 2.554 -20.269 1.00 0.00 H new ATOM 341 N ALA A 21 99.261 -2.116 -16.708 1.00 0.00 N ATOM 342 CA ALA A 21 98.383 -2.053 -15.500 1.00 0.00 C ATOM 343 C ALA A 21 98.925 -1.016 -14.513 1.00 0.00 C ATOM 344 O ALA A 21 100.116 -0.769 -14.461 1.00 0.00 O ATOM 345 CB ALA A 21 98.442 -3.455 -14.892 1.00 0.00 C ATOM 0 H ALA A 21 100.259 -2.022 -16.519 1.00 0.00 H new ATOM 0 HA ALA A 21 97.362 -1.760 -15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.820 -3.490 -13.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.076 -4.182 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.472 -3.694 -14.628 1.00 0.00 H new ATOM 351 N ARG A 22 98.063 -0.407 -13.732 1.00 0.00 N ATOM 352 CA ARG A 22 98.527 0.629 -12.758 1.00 0.00 C ATOM 353 C ARG A 22 97.817 0.457 -11.415 1.00 0.00 C ATOM 354 O ARG A 22 96.737 -0.100 -11.344 1.00 0.00 O ATOM 355 CB ARG A 22 98.177 1.984 -13.397 1.00 0.00 C ATOM 356 CG ARG A 22 96.664 2.090 -13.640 1.00 0.00 C ATOM 357 CD ARG A 22 96.368 3.344 -14.468 1.00 0.00 C ATOM 358 NE ARG A 22 94.872 3.434 -14.531 1.00 0.00 N ATOM 359 CZ ARG A 22 94.266 4.197 -15.421 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.942 4.917 -16.287 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.961 4.240 -15.439 1.00 0.00 N ATOM 0 H ARG A 22 97.058 -0.584 -13.728 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.548 -12.557 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.504 2.795 -12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.711 2.097 -14.340 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.305 1.203 -14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.134 2.136 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.796 4.232 -14.003 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.800 3.267 -15.466 1.00 0.00 H new ATOM 0 HE ARG A 22 94.311 2.894 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.962 4.895 -16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.447 5.498 -16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.423 3.688 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.479 4.825 -16.121 1.00 0.00 H new ATOM 375 N GLY A 23 98.423 0.930 -10.353 1.00 0.00 N ATOM 376 CA GLY A 23 97.761 0.867 -9.018 1.00 0.00 C ATOM 377 C GLY A 23 98.693 1.453 -7.957 1.00 0.00 C ATOM 378 O GLY A 23 99.796 1.875 -8.256 1.00 0.00 O ATOM 0 H GLY A 23 99.349 1.357 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.823 1.422 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.515 -0.166 -8.771 1.00 0.00 H new ATOM 382 N VAL A 24 98.256 1.481 -6.723 1.00 0.00 N ATOM 383 CA VAL A 24 99.128 1.992 -5.620 1.00 0.00 C ATOM 384 C VAL A 24 99.881 0.819 -4.986 1.00 0.00 C ATOM 385 O VAL A 24 99.297 -0.199 -4.666 1.00 0.00 O ATOM 386 CB VAL A 24 98.176 2.644 -4.603 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.983 3.277 -3.464 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.349 3.738 -5.291 1.00 0.00 C ATOM 0 H VAL A 24 97.329 1.171 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 24 99.871 2.707 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 24 97.513 1.877 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.302 3.737 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.571 2.508 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.650 4.037 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.677 4.196 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.017 4.498 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.765 3.298 -6.100 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 0.958 -4.802 1.00 0.00 N ATOM 399 CA ILE A 25 101.984 -0.176 -4.256 1.00 0.00 C ATOM 400 C ILE A 25 101.560 -0.489 -2.812 1.00 0.00 C ATOM 401 O ILE A 25 101.379 0.399 -2.000 1.00 0.00 O ATOM 402 CB ILE A 25 103.445 0.306 -4.324 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.887 0.356 -5.789 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.367 -0.648 -3.549 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.126 1.245 -5.924 1.00 0.00 C ATOM 0 H ILE A 25 101.696 1.808 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 25 101.846 -1.098 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 25 103.511 1.297 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.108 -0.650 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.079 0.744 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.395 -0.290 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.057 -0.686 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.305 -1.646 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.438 1.278 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.889 2.253 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.934 0.837 -5.317 1.00 0.00 H new ATOM 417 N THR A 26 101.405 -1.754 -2.502 1.00 0.00 N ATOM 418 CA THR A 26 100.953 -2.156 -1.136 1.00 0.00 C ATOM 419 C THR A 26 101.928 -3.150 -0.485 1.00 0.00 C ATOM 420 O THR A 26 101.858 -3.377 0.708 1.00 0.00 O ATOM 421 CB THR A 26 99.586 -2.810 -1.347 1.00 0.00 C ATOM 422 OG1 THR A 26 99.695 -3.823 -2.337 1.00 0.00 O ATOM 423 CG2 THR A 26 98.574 -1.755 -1.799 1.00 0.00 C ATOM 0 H THR A 26 101.574 -2.529 -3.143 1.00 0.00 H new ATOM 0 HA THR A 26 100.907 -1.298 -0.466 1.00 0.00 H new ATOM 0 HB THR A 26 99.247 -3.253 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.044 -3.434 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.602 -2.224 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.490 -0.981 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.908 -1.307 -2.735 1.00 0.00 H new ATOM 431 N ASN A 27 102.830 -3.752 -1.239 1.00 0.00 N ATOM 432 CA ASN A 27 103.866 -4.623 -0.597 1.00 0.00 C ATOM 433 C ASN A 27 105.091 -4.779 -1.501 1.00 0.00 C ATOM 434 O ASN A 27 104.996 -4.705 -2.711 1.00 0.00 O ATOM 435 CB ASN A 27 103.174 -5.972 -0.394 1.00 0.00 C ATOM 436 CG ASN A 27 104.049 -6.870 0.484 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.670 -7.794 -0.001 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.123 -6.635 1.766 1.00 0.00 N ATOM 0 H ASN A 27 102.889 -3.677 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 27 104.229 -4.198 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.200 -5.826 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 27 102.996 -6.450 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.703 -7.228 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.601 -5.859 2.173 1.00 0.00 H new ATOM 445 N PHE A 28 106.242 -4.991 -0.907 1.00 0.00 N ATOM 446 CA PHE A 28 107.477 -5.261 -1.702 1.00 0.00 C ATOM 447 C PHE A 28 108.410 -6.179 -0.908 1.00 0.00 C ATOM 448 O PHE A 28 108.647 -5.968 0.267 1.00 0.00 O ATOM 449 CB PHE A 28 108.121 -3.891 -1.917 1.00 0.00 C ATOM 450 CG PHE A 28 109.298 -3.923 -2.865 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.087 -4.159 -4.246 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.609 -3.715 -2.374 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.189 -4.187 -5.135 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.711 -3.744 -3.263 1.00 0.00 C ATOM 455 CZ PHE A 28 111.501 -3.980 -4.644 1.00 0.00 C ATOM 0 H PHE A 28 106.377 -4.988 0.104 1.00 0.00 H new ATOM 0 HA PHE A 28 107.265 -5.757 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.371 -3.202 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.449 -3.497 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.086 -4.317 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.769 -3.534 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.029 -4.366 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.711 -3.586 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.341 -4.002 -5.322 1.00 0.00 H new ATOM 465 N ASP A 29 108.936 -7.193 -1.545 1.00 0.00 N ATOM 466 CA ASP A 29 109.803 -8.177 -0.827 1.00 0.00 C ATOM 467 C ASP A 29 111.184 -8.237 -1.487 1.00 0.00 C ATOM 468 O ASP A 29 111.305 -8.571 -2.650 1.00 0.00 O ATOM 469 CB ASP A 29 109.078 -9.517 -0.969 1.00 0.00 C ATOM 470 CG ASP A 29 109.758 -10.564 -0.086 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.486 -10.575 1.103 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.539 -11.337 -0.615 1.00 0.00 O ATOM 0 H ASP A 29 108.802 -7.383 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 29 109.961 -7.910 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.032 -9.408 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -9.841 -2.010 1.00 0.00 H new ATOM 477 N SER A 30 112.217 -7.914 -0.749 1.00 0.00 N ATOM 478 CA SER A 30 113.597 -7.909 -1.333 1.00 0.00 C ATOM 479 C SER A 30 114.051 -9.336 -1.664 1.00 0.00 C ATOM 480 O SER A 30 114.808 -9.551 -2.593 1.00 0.00 O ATOM 481 CB SER A 30 114.495 -7.301 -0.253 1.00 0.00 C ATOM 482 OG SER A 30 115.803 -7.116 -0.780 1.00 0.00 O ATOM 0 H SER A 30 112.165 -7.653 0.236 1.00 0.00 H new ATOM 0 HA SER A 30 113.637 -7.342 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.087 -6.347 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.530 -7.955 0.618 1.00 0.00 H new ATOM 0 HG SER A 30 116.381 -6.725 -0.092 1.00 0.00 H new ATOM 488 N SER A 31 113.596 -10.311 -0.909 1.00 0.00 N ATOM 489 CA SER A 31 114.081 -11.719 -1.109 1.00 0.00 C ATOM 490 C SER A 31 113.739 -12.220 -2.518 1.00 0.00 C ATOM 491 O SER A 31 114.583 -12.754 -3.214 1.00 0.00 O ATOM 492 CB SER A 31 113.352 -12.555 -0.055 1.00 0.00 C ATOM 493 OG SER A 31 114.033 -13.791 0.115 1.00 0.00 O ATOM 0 H SER A 31 112.910 -10.194 -0.163 1.00 0.00 H new ATOM 0 HA SER A 31 115.164 -11.787 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.312 -12.015 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.322 -12.733 -0.364 1.00 0.00 H new ATOM 0 HG SER A 31 113.570 -14.329 0.791 1.00 0.00 H new ATOM 499 N ASN A 32 112.507 -12.053 -2.940 1.00 0.00 N ATOM 500 CA ASN A 32 112.100 -12.528 -4.301 1.00 0.00 C ATOM 501 C ASN A 32 111.505 -11.382 -5.137 1.00 0.00 C ATOM 502 O ASN A 32 110.879 -11.622 -6.151 1.00 0.00 O ATOM 503 CB ASN A 32 111.042 -13.602 -4.043 1.00 0.00 C ATOM 504 CG ASN A 32 111.689 -14.811 -3.364 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.813 -15.162 -3.661 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.020 -15.468 -2.456 1.00 0.00 N ATOM 0 H ASN A 32 111.765 -11.608 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 32 112.952 -12.908 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.248 -13.200 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.580 -13.905 -4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.441 -16.275 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.076 -15.174 -2.206 1.00 0.00 H new ATOM 513 N SER A 33 111.698 -10.143 -4.720 1.00 0.00 N ATOM 514 CA SER A 33 111.162 -8.959 -5.480 1.00 0.00 C ATOM 515 C SER A 33 109.688 -9.162 -5.883 1.00 0.00 C ATOM 516 O SER A 33 109.360 -9.281 -7.051 1.00 0.00 O ATOM 517 CB SER A 33 112.070 -8.828 -6.711 1.00 0.00 C ATOM 518 OG SER A 33 111.733 -9.821 -7.671 1.00 0.00 O ATOM 0 H SER A 33 112.212 -9.902 -3.873 1.00 0.00 H new ATOM 0 HA SER A 33 111.172 -8.054 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.962 -7.836 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.114 -8.935 -6.416 1.00 0.00 H new ATOM 0 HG SER A 33 110.984 -9.506 -8.219 1.00 0.00 H new ATOM 524 N ILE A 34 108.802 -9.197 -4.916 1.00 0.00 N ATOM 525 CA ILE A 34 107.350 -9.408 -5.222 1.00 0.00 C ATOM 526 C ILE A 34 106.562 -8.146 -4.856 1.00 0.00 C ATOM 527 O ILE A 34 106.704 -7.610 -3.774 1.00 0.00 O ATOM 528 CB ILE A 34 106.909 -10.599 -4.351 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.817 -11.825 -4.604 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.453 -10.963 -4.667 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.734 -12.291 -6.069 1.00 0.00 C ATOM 0 H ILE A 34 109.022 -9.088 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 34 107.174 -9.608 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 34 106.994 -10.311 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.849 -11.573 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.522 -12.641 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.146 -11.806 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.811 -10.107 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.366 -11.235 -5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.384 -13.154 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.706 -12.567 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.053 -11.482 -6.727 1.00 0.00 H new ATOM 543 N LEU A 35 105.732 -7.673 -5.753 1.00 0.00 N ATOM 544 CA LEU A 35 105.039 -6.365 -5.536 1.00 0.00 C ATOM 545 C LEU A 35 103.523 -6.544 -5.624 1.00 0.00 C ATOM 546 O LEU A 35 103.001 -7.035 -6.608 1.00 0.00 O ATOM 547 CB LEU A 35 105.543 -5.474 -6.675 1.00 0.00 C ATOM 548 CG LEU A 35 105.021 -4.047 -6.494 1.00 0.00 C ATOM 549 CD1 LEU A 35 105.928 -3.288 -5.523 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.013 -3.337 -7.849 1.00 0.00 C ATOM 0 H LEU A 35 105.504 -8.139 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 35 105.246 -5.940 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.633 -5.472 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.211 -5.873 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 35 104.009 -4.077 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.555 -2.272 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.935 -3.796 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.942 -3.255 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.642 -2.320 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.026 -3.307 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.365 -3.878 -8.539 1.00 0.00 H new ATOM 562 N GLN A 36 102.818 -6.147 -4.595 1.00 0.00 N ATOM 563 CA GLN A 36 101.329 -6.120 -4.664 1.00 0.00 C ATOM 564 C GLN A 36 100.859 -4.709 -5.011 1.00 0.00 C ATOM 565 O GLN A 36 101.232 -3.754 -4.359 1.00 0.00 O ATOM 566 CB GLN A 36 100.856 -6.515 -3.265 1.00 0.00 C ATOM 567 CG GLN A 36 101.148 -7.998 -3.028 1.00 0.00 C ATOM 568 CD GLN A 36 100.680 -8.394 -1.626 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.656 -7.932 -1.160 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.391 -9.237 -0.929 1.00 0.00 N ATOM 0 H GLN A 36 103.214 -5.839 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 36 100.933 -6.792 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.362 -5.909 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.788 -6.323 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.639 -8.604 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.216 -8.191 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.250 -9.625 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.088 -9.508 0.006 1.00 0.00 H new ATOM 579 N LEU A 37 100.047 -4.573 -6.031 1.00 0.00 N ATOM 580 CA LEU A 37 99.535 -3.222 -6.414 1.00 0.00 C ATOM 581 C LEU A 37 98.036 -3.126 -6.122 1.00 0.00 C ATOM 582 O LEU A 37 97.257 -3.949 -6.563 1.00 0.00 O ATOM 583 CB LEU A 37 99.793 -3.105 -7.918 1.00 0.00 C ATOM 584 CG LEU A 37 101.299 -3.065 -8.185 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.561 -3.347 -9.666 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.847 -1.679 -7.829 1.00 0.00 C ATOM 0 H LEU A 37 99.717 -5.341 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 37 100.024 -2.424 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.344 -3.950 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.321 -2.203 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 37 101.794 -3.820 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.634 -3.319 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.172 -4.332 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.064 -2.591 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.920 -1.652 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.351 -0.924 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.661 -1.474 -6.775 1.00 0.00 H new ATOM 598 N ARG A 38 97.633 -2.123 -5.382 1.00 0.00 N ATOM 599 CA ARG A 38 96.175 -1.926 -5.103 1.00 0.00 C ATOM 600 C ARG A 38 95.672 -0.659 -5.805 1.00 0.00 C ATOM 601 O ARG A 38 96.143 0.432 -5.544 1.00 0.00 O ATOM 602 CB ARG A 38 96.075 -1.781 -3.584 1.00 0.00 C ATOM 603 CG ARG A 38 94.603 -1.750 -3.165 1.00 0.00 C ATOM 604 CD ARG A 38 94.507 -1.561 -1.648 1.00 0.00 C ATOM 605 NE ARG A 38 93.047 -1.665 -1.335 1.00 0.00 N ATOM 606 CZ ARG A 38 92.426 -2.829 -1.309 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.055 -3.952 -1.572 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.154 -2.867 -1.019 1.00 0.00 N ATOM 0 H ARG A 38 98.251 -1.431 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 38 95.567 -2.753 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.585 -2.611 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.574 -0.867 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.085 -0.939 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.111 -2.677 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.079 -2.323 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.907 -0.594 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 38 92.519 -0.815 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.048 -3.938 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.550 -4.838 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.651 -2.003 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.663 -3.761 -0.996 1.00 0.00 H new ATOM 622 N LEU A 39 94.717 -0.805 -6.690 1.00 0.00 N ATOM 623 CA LEU A 39 94.261 0.354 -7.516 1.00 0.00 C ATOM 624 C LEU A 39 92.939 0.919 -6.971 1.00 0.00 C ATOM 625 O LEU A 39 92.195 0.239 -6.284 1.00 0.00 O ATOM 626 CB LEU A 39 94.088 -0.228 -8.926 1.00 0.00 C ATOM 627 CG LEU A 39 93.579 0.838 -9.911 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.603 1.968 -10.061 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.364 0.183 -11.274 1.00 0.00 C ATOM 0 H LEU A 39 94.231 -1.683 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 39 94.966 1.185 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 39 95.040 -0.626 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.387 -1.062 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 39 92.647 1.256 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.224 2.712 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.773 2.436 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.542 1.561 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 39 93.003 0.928 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.307 -0.231 -11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.629 -0.616 -11.182 1.00 0.00 H new ATOM 641 N ALA A 40 92.650 2.162 -7.291 1.00 0.00 N ATOM 642 CA ALA A 40 91.484 2.872 -6.664 1.00 0.00 C ATOM 643 C ALA A 40 90.138 2.256 -7.086 1.00 0.00 C ATOM 644 O ALA A 40 89.097 2.666 -6.606 1.00 0.00 O ATOM 645 CB ALA A 40 91.579 4.317 -7.161 1.00 0.00 C ATOM 0 H ALA A 40 93.176 2.719 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 40 91.523 2.796 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.758 4.900 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.528 4.749 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.519 4.332 -8.249 1.00 0.00 H new ATOM 651 N ASN A 41 90.141 1.284 -7.972 1.00 0.00 N ATOM 652 CA ASN A 41 88.871 0.560 -8.306 1.00 0.00 C ATOM 653 C ASN A 41 88.633 -0.606 -7.329 1.00 0.00 C ATOM 654 O ASN A 41 88.034 -1.600 -7.691 1.00 0.00 O ATOM 655 CB ASN A 41 89.081 0.025 -9.727 1.00 0.00 C ATOM 656 CG ASN A 41 89.175 1.194 -10.710 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.493 2.189 -10.559 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.997 1.116 -11.720 1.00 0.00 N ATOM 0 H ASN A 41 90.967 0.962 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 41 88.002 1.214 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.991 -0.573 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.256 -0.631 -10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.067 1.889 -12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.570 0.282 -11.848 1.00 0.00 H new ATOM 665 N ASP A 42 89.099 -0.498 -6.091 1.00 0.00 N ATOM 666 CA ASP A 42 88.851 -1.570 -5.064 1.00 0.00 C ATOM 667 C ASP A 42 89.398 -2.916 -5.557 1.00 0.00 C ATOM 668 O ASP A 42 88.885 -3.963 -5.203 1.00 0.00 O ATOM 669 CB ASP A 42 87.326 -1.642 -4.877 1.00 0.00 C ATOM 670 CG ASP A 42 86.810 -0.312 -4.320 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.460 0.236 -3.444 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.771 0.136 -4.779 1.00 0.00 O ATOM 0 H ASP A 42 89.644 0.295 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 42 89.353 -1.344 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.843 -1.860 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.071 -2.455 -4.197 1.00 0.00 H new ATOM 677 N SER A 43 90.435 -2.897 -6.370 1.00 0.00 N ATOM 678 CA SER A 43 91.033 -4.178 -6.855 1.00 0.00 C ATOM 679 C SER A 43 92.524 -4.228 -6.509 1.00 0.00 C ATOM 680 O SER A 43 93.234 -3.249 -6.649 1.00 0.00 O ATOM 681 CB SER A 43 90.831 -4.162 -8.370 1.00 0.00 C ATOM 682 OG SER A 43 89.444 -4.272 -8.659 1.00 0.00 O ATOM 0 H SER A 43 90.888 -2.050 -6.714 1.00 0.00 H new ATOM 0 HA SER A 43 90.571 -5.051 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.230 -3.240 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.377 -4.986 -8.830 1.00 0.00 H new ATOM 0 HG SER A 43 88.983 -3.458 -8.367 1.00 0.00 H new ATOM 688 N THR A 44 92.998 -5.364 -6.059 1.00 0.00 N ATOM 689 CA THR A 44 94.445 -5.500 -5.709 1.00 0.00 C ATOM 690 C THR A 44 95.032 -6.754 -6.364 1.00 0.00 C ATOM 691 O THR A 44 94.344 -7.741 -6.556 1.00 0.00 O ATOM 692 CB THR A 44 94.486 -5.604 -4.174 1.00 0.00 C ATOM 693 OG1 THR A 44 95.836 -5.731 -3.750 1.00 0.00 O ATOM 694 CG2 THR A 44 93.685 -6.821 -3.694 1.00 0.00 C ATOM 0 H THR A 44 92.441 -6.207 -5.919 1.00 0.00 H new ATOM 0 HA THR A 44 95.037 -4.657 -6.065 1.00 0.00 H new ATOM 0 HB THR A 44 94.043 -4.704 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.867 -5.796 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.726 -6.878 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.648 -6.723 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.112 -7.729 -4.121 1.00 0.00 H new ATOM 702 N LYS A 45 96.297 -6.720 -6.707 1.00 0.00 N ATOM 703 CA LYS A 45 96.924 -7.889 -7.394 1.00 0.00 C ATOM 704 C LYS A 45 98.368 -8.080 -6.926 1.00 0.00 C ATOM 705 O LYS A 45 99.088 -7.124 -6.704 1.00 0.00 O ATOM 706 CB LYS A 45 96.885 -7.543 -8.882 1.00 0.00 C ATOM 707 CG LYS A 45 95.460 -7.723 -9.407 1.00 0.00 C ATOM 708 CD LYS A 45 95.458 -7.618 -10.933 1.00 0.00 C ATOM 709 CE LYS A 45 95.674 -6.161 -11.349 1.00 0.00 C ATOM 710 NZ LYS A 45 94.332 -5.525 -11.235 1.00 0.00 N ATOM 0 H LYS A 45 96.922 -5.931 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 45 96.399 -8.819 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.214 -6.516 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.572 -8.185 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.068 -8.692 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.805 -6.964 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.244 -8.246 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 45 94.512 -7.984 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.400 -5.669 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.057 -6.094 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 94.028 -5.186 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.647 -6.222 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.383 -4.723 -10.575 1.00 0.00 H new ATOM 724 N SER A 46 98.788 -9.312 -6.775 1.00 0.00 N ATOM 725 CA SER A 46 100.205 -9.588 -6.393 1.00 0.00 C ATOM 726 C SER A 46 100.993 -10.054 -7.619 1.00 0.00 C ATOM 727 O SER A 46 100.733 -11.109 -8.166 1.00 0.00 O ATOM 728 CB SER A 46 100.124 -10.702 -5.350 1.00 0.00 C ATOM 729 OG SER A 46 99.651 -11.892 -5.969 1.00 0.00 O ATOM 0 H SER A 46 98.207 -10.141 -6.901 1.00 0.00 H new ATOM 0 HA SER A 46 100.712 -8.705 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.105 -10.874 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.456 -10.410 -4.540 1.00 0.00 H new ATOM 0 HG SER A 46 99.571 -11.749 -6.935 1.00 0.00 H new ATOM 735 N ILE A 47 101.953 -9.272 -8.052 1.00 0.00 N ATOM 736 CA ILE A 47 102.730 -9.635 -9.278 1.00 0.00 C ATOM 737 C ILE A 47 104.229 -9.556 -8.976 1.00 0.00 C ATOM 738 O ILE A 47 104.702 -8.587 -8.411 1.00 0.00 O ATOM 739 CB ILE A 47 102.327 -8.598 -10.341 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.814 -8.671 -10.594 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.065 -8.886 -11.655 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.372 -7.464 -11.425 1.00 0.00 C ATOM 0 H ILE A 47 102.232 -8.397 -7.608 1.00 0.00 H new ATOM 0 HA ILE A 47 102.523 -10.649 -9.619 1.00 0.00 H new ATOM 0 HB ILE A 47 102.592 -7.604 -9.980 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.567 -9.595 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.277 -8.688 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.776 -8.149 -12.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.141 -8.831 -11.488 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.804 -9.884 -12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.298 -7.518 -11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.604 -6.546 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.899 -7.467 -12.379 1.00 0.00 H new ATOM 754 N VAL A 48 104.973 -10.567 -9.349 1.00 0.00 N ATOM 755 CA VAL A 48 106.451 -10.539 -9.107 1.00 0.00 C ATOM 756 C VAL A 48 107.101 -9.528 -10.056 1.00 0.00 C ATOM 757 O VAL A 48 106.774 -9.465 -11.223 1.00 0.00 O ATOM 758 CB VAL A 48 106.961 -11.964 -9.390 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.451 -12.060 -9.033 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.161 -12.993 -8.569 1.00 0.00 C ATOM 0 H VAL A 48 104.624 -11.408 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 48 106.695 -10.239 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 48 106.827 -12.182 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.809 -13.070 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 109.016 -11.348 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.587 -11.831 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.533 -13.995 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.276 -12.779 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.107 -12.933 -8.839 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -8.738 -9.558 1.00 0.00 N ATOM 771 CA THR A 49 108.601 -7.631 -10.385 1.00 0.00 C ATOM 772 C THR A 49 109.350 -8.180 -11.605 1.00 0.00 C ATOM 773 O THR A 49 109.503 -7.497 -12.601 1.00 0.00 O ATOM 774 CB THR A 49 109.564 -6.882 -9.456 1.00 0.00 C ATOM 775 OG1 THR A 49 110.526 -7.792 -8.945 1.00 0.00 O ATOM 776 CG2 THR A 49 108.785 -6.254 -8.298 1.00 0.00 C ATOM 0 H THR A 49 108.393 -8.811 -8.612 1.00 0.00 H new ATOM 0 HA THR A 49 107.819 -6.978 -10.773 1.00 0.00 H new ATOM 0 HB THR A 49 110.067 -6.094 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 49 111.424 -7.503 -9.212 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.474 -5.723 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.048 -5.554 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.277 -7.037 -7.734 1.00 0.00 H new ATOM 784 N LYS A 50 109.818 -9.403 -11.541 1.00 0.00 N ATOM 785 CA LYS A 50 110.641 -9.960 -12.667 1.00 0.00 C ATOM 786 C LYS A 50 109.856 -9.937 -13.984 1.00 0.00 C ATOM 787 O LYS A 50 110.437 -9.901 -15.054 1.00 0.00 O ATOM 788 CB LYS A 50 110.975 -11.400 -12.265 1.00 0.00 C ATOM 789 CG LYS A 50 111.876 -11.395 -11.027 1.00 0.00 C ATOM 790 CD LYS A 50 113.274 -10.900 -11.412 1.00 0.00 C ATOM 791 CE LYS A 50 114.221 -11.071 -10.224 1.00 0.00 C ATOM 792 NZ LYS A 50 114.682 -12.486 -10.302 1.00 0.00 N ATOM 0 H LYS A 50 109.667 -10.041 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 50 111.541 -9.368 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.058 -11.952 -12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.475 -11.911 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.450 -10.751 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.938 -12.398 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.646 -11.459 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.231 -9.852 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 50 115.060 -10.378 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.712 -10.873 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.773 -12.875 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.991 -13.047 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.605 -12.525 -10.780 1.00 0.00 H new ATOM 806 N ASP A 51 108.546 -9.959 -13.916 1.00 0.00 N ATOM 807 CA ASP A 51 107.733 -9.845 -15.168 1.00 0.00 C ATOM 808 C ASP A 51 107.450 -8.372 -15.519 1.00 0.00 C ATOM 809 O ASP A 51 106.640 -8.090 -16.384 1.00 0.00 O ATOM 810 CB ASP A 51 106.429 -10.618 -14.902 1.00 0.00 C ATOM 811 CG ASP A 51 105.664 -10.026 -13.710 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.434 -8.828 -13.707 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.317 -10.786 -12.822 1.00 0.00 O ATOM 0 H ASP A 51 108.008 -10.050 -13.054 1.00 0.00 H new ATOM 0 HA ASP A 51 108.267 -10.259 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.799 -10.590 -15.791 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.658 -11.666 -14.706 1.00 0.00 H new ATOM 818 N ILE A 52 108.103 -7.433 -14.862 1.00 0.00 N ATOM 819 CA ILE A 52 107.971 -5.998 -15.282 1.00 0.00 C ATOM 820 C ILE A 52 108.781 -5.756 -16.559 1.00 0.00 C ATOM 821 O ILE A 52 109.997 -5.823 -16.552 1.00 0.00 O ATOM 822 CB ILE A 52 108.535 -5.165 -14.114 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.650 -5.353 -12.873 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.574 -3.673 -14.500 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.315 -4.695 -11.658 1.00 0.00 C ATOM 0 H ILE A 52 108.714 -7.598 -14.062 1.00 0.00 H new ATOM 0 HA ILE A 52 106.937 -5.727 -15.496 1.00 0.00 H new ATOM 0 HB ILE A 52 109.548 -5.502 -13.893 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.668 -4.912 -13.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.494 -6.415 -12.683 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.974 -3.092 -13.669 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.211 -3.540 -15.375 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.565 -3.330 -14.730 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.684 -4.831 -10.780 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.287 -5.156 -11.481 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.448 -3.630 -11.848 1.00 0.00 H new ATOM 837 N LYS A 53 108.113 -5.477 -17.651 1.00 0.00 N ATOM 838 CA LYS A 53 108.843 -5.044 -18.884 1.00 0.00 C ATOM 839 C LYS A 53 109.206 -3.562 -18.782 1.00 0.00 C ATOM 840 O LYS A 53 110.279 -3.151 -19.184 1.00 0.00 O ATOM 841 CB LYS A 53 107.875 -5.279 -20.046 1.00 0.00 C ATOM 842 CG LYS A 53 108.597 -5.032 -21.373 1.00 0.00 C ATOM 843 CD LYS A 53 107.616 -5.207 -22.533 1.00 0.00 C ATOM 844 CE LYS A 53 108.367 -5.076 -23.860 1.00 0.00 C ATOM 845 NZ LYS A 53 107.468 -5.693 -24.874 1.00 0.00 N ATOM 0 H LYS A 53 107.098 -5.530 -17.743 1.00 0.00 H new ATOM 0 HA LYS A 53 109.772 -5.598 -19.022 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.492 -6.299 -20.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.017 -4.613 -19.958 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.017 -4.026 -21.388 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.430 -5.727 -21.480 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.133 -6.182 -22.471 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.828 -4.456 -22.473 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.571 -4.032 -24.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.329 -5.588 -23.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 107.998 -5.858 -25.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.107 -6.599 -24.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.670 -5.054 -25.065 1.00 0.00 H new ATOM 859 N ASP A 54 108.319 -2.759 -18.245 1.00 0.00 N ATOM 860 CA ASP A 54 108.571 -1.277 -18.199 1.00 0.00 C ATOM 861 C ASP A 54 107.826 -0.636 -17.027 1.00 0.00 C ATOM 862 O ASP A 54 106.837 -1.161 -16.554 1.00 0.00 O ATOM 863 CB ASP A 54 108.037 -0.728 -19.525 1.00 0.00 C ATOM 864 CG ASP A 54 108.945 -1.174 -20.672 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.147 -1.006 -20.550 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.423 -1.676 -21.654 1.00 0.00 O ATOM 0 H ASP A 54 107.434 -3.061 -17.837 1.00 0.00 H new ATOM 0 HA ASP A 54 109.630 -1.058 -18.062 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.021 -1.084 -19.694 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.991 0.360 -19.487 1.00 0.00 H new ATOM 871 N LEU A 55 108.296 0.498 -16.558 1.00 0.00 N ATOM 872 CA LEU A 55 107.662 1.146 -15.368 1.00 0.00 C ATOM 873 C LEU A 55 107.499 2.654 -15.586 1.00 0.00 C ATOM 874 O LEU A 55 108.332 3.296 -16.200 1.00 0.00 O ATOM 875 CB LEU A 55 108.629 0.887 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.422 -0.528 -13.677 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.693 -0.998 -12.968 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.255 -0.533 -12.686 1.00 0.00 C ATOM 0 H LEU A 55 109.092 1.001 -16.950 1.00 0.00 H new ATOM 0 HA LEU A 55 106.666 0.746 -15.177 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.657 1.011 -14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.465 1.615 -13.418 1.00 0.00 H new ATOM 0 HG LEU A 55 108.199 -1.200 -14.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.544 -2.008 -12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.525 -0.995 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 55 109.917 -0.326 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.107 -1.543 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.478 0.140 -11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.348 -0.200 -13.190 1.00 0.00 H new ATOM 890 N ARG A 56 106.427 3.217 -15.084 1.00 0.00 N ATOM 891 CA ARG A 56 106.261 4.702 -15.106 1.00 0.00 C ATOM 892 C ARG A 56 105.445 5.148 -13.884 1.00 0.00 C ATOM 893 O ARG A 56 104.731 4.361 -13.292 1.00 0.00 O ATOM 894 CB ARG A 56 105.519 5.006 -16.420 1.00 0.00 C ATOM 895 CG ARG A 56 104.081 4.460 -16.369 1.00 0.00 C ATOM 896 CD ARG A 56 103.646 3.986 -17.760 1.00 0.00 C ATOM 897 NE ARG A 56 103.676 5.206 -18.631 1.00 0.00 N ATOM 898 CZ ARG A 56 103.685 5.112 -19.948 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.660 3.947 -20.556 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.717 6.202 -20.663 1.00 0.00 N ATOM 0 H ARG A 56 105.654 2.706 -14.657 1.00 0.00 H new ATOM 0 HA ARG A 56 107.211 5.234 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.499 6.082 -16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.054 4.559 -17.258 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.023 3.634 -15.660 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.402 5.235 -16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.319 3.217 -18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.647 3.550 -17.731 1.00 0.00 H new ATOM 0 HE ARG A 56 103.690 6.129 -18.197 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.633 3.087 -20.009 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.668 3.903 -21.575 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.735 7.113 -20.204 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.724 6.144 -21.681 1.00 0.00 H new ATOM 914 N ILE A 57 105.546 6.398 -13.507 1.00 0.00 N ATOM 915 CA ILE A 57 104.706 6.914 -12.380 1.00 0.00 C ATOM 916 C ILE A 57 103.627 7.851 -12.935 1.00 0.00 C ATOM 917 O ILE A 57 103.914 8.755 -13.698 1.00 0.00 O ATOM 918 CB ILE A 57 105.671 7.671 -11.452 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.776 6.721 -10.963 1.00 0.00 C ATOM 920 CG2 ILE A 57 104.900 8.205 -10.239 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.871 7.523 -10.256 1.00 0.00 C ATOM 0 H ILE A 57 106.172 7.083 -13.929 1.00 0.00 H new ATOM 0 HA ILE A 57 104.196 6.115 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 57 106.118 8.499 -12.002 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.357 5.981 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.199 6.175 -11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.583 8.742 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.115 8.882 -10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.453 7.372 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.652 6.846 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.298 8.246 -10.951 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.443 8.049 -9.402 1.00 0.00 H new ATOM 933 N LEU A 58 102.389 7.639 -12.555 1.00 0.00 N ATOM 934 CA LEU A 58 101.272 8.451 -13.133 1.00 0.00 C ATOM 935 C LEU A 58 101.212 9.828 -12.454 1.00 0.00 C ATOM 936 O LEU A 58 101.763 10.005 -11.385 1.00 0.00 O ATOM 937 CB LEU A 58 99.994 7.653 -12.850 1.00 0.00 C ATOM 938 CG LEU A 58 100.036 6.325 -13.608 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.008 5.362 -13.013 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.714 6.564 -15.085 1.00 0.00 C ATOM 0 H LEU A 58 102.105 6.939 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 58 101.405 8.627 -14.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.898 7.469 -11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.120 8.229 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 58 101.033 5.893 -13.520 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.039 4.416 -13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.239 5.187 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.012 5.796 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.745 5.616 -15.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.719 7.000 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.449 7.247 -15.512 1.00 0.00 H new ATOM 952 N PRO A 59 100.541 10.769 -13.097 1.00 0.00 N ATOM 953 CA PRO A 59 100.465 12.156 -12.555 1.00 0.00 C ATOM 954 C PRO A 59 99.779 12.167 -11.182 1.00 0.00 C ATOM 955 O PRO A 59 98.750 11.545 -10.989 1.00 0.00 O ATOM 956 CB PRO A 59 99.628 12.919 -13.588 1.00 0.00 C ATOM 957 CG PRO A 59 99.614 12.061 -14.814 1.00 0.00 C ATOM 958 CD PRO A 59 99.806 10.641 -14.363 1.00 0.00 C ATOM 0 HA PRO A 59 101.449 12.600 -12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 59 98.617 13.093 -13.221 1.00 0.00 H new ATOM 0 HB3 PRO A 59 100.063 13.896 -13.799 1.00 0.00 H new ATOM 0 HG2 PRO A 59 98.671 12.171 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 59 100.407 12.357 -15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 59 98.851 10.134 -14.221 1.00 0.00 H new ATOM 0 HD3 PRO A 59 100.369 10.062 -15.095 1.00 0.00 H new ATOM 966 N LYS A 60 100.346 12.874 -10.235 1.00 0.00 N ATOM 967 CA LYS A 60 99.719 12.975 -8.882 1.00 0.00 C ATOM 968 C LYS A 60 99.998 14.356 -8.278 1.00 0.00 C ATOM 969 O LYS A 60 99.086 15.109 -7.991 1.00 0.00 O ATOM 970 CB LYS A 60 100.386 11.876 -8.052 1.00 0.00 C ATOM 971 CG LYS A 60 99.671 11.746 -6.706 1.00 0.00 C ATOM 972 CD LYS A 60 100.390 10.706 -5.843 1.00 0.00 C ATOM 973 CE LYS A 60 99.601 10.479 -4.552 1.00 0.00 C ATOM 974 NZ LYS A 60 99.908 11.661 -3.699 1.00 0.00 N ATOM 0 H LYS A 60 101.221 13.388 -10.343 1.00 0.00 H new ATOM 0 HA LYS A 60 98.636 12.855 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 60 100.349 10.928 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 60 101.438 12.112 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 99.656 12.709 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 60 98.633 11.451 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.488 9.769 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 60 101.399 11.046 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 60 98.532 10.403 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 60 99.901 9.552 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 100.211 11.340 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 100.670 12.217 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.057 12.252 -3.606 1.00 0.00 H new ATOM 988 N ASN A 61 101.252 14.686 -8.088 1.00 0.00 N ATOM 989 CA ASN A 61 101.610 16.032 -7.540 1.00 0.00 C ATOM 990 C ASN A 61 102.952 16.511 -8.115 1.00 0.00 C ATOM 991 O ASN A 61 103.660 17.279 -7.490 1.00 0.00 O ATOM 992 CB ASN A 61 101.697 15.844 -6.016 1.00 0.00 C ATOM 993 CG ASN A 61 102.765 14.798 -5.663 1.00 0.00 C ATOM 994 OD1 ASN A 61 102.702 13.671 -6.113 1.00 0.00 O ATOM 995 ND2 ASN A 61 103.747 15.129 -4.870 1.00 0.00 N ATOM 0 H ASN A 61 102.046 14.079 -8.290 1.00 0.00 H new ATOM 0 HA ASN A 61 100.873 16.789 -7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 61 101.939 16.794 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 61 100.729 15.529 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 61 104.461 14.442 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 61 103.801 16.075 -4.492 1.00 0.00 H new ATOM 1002 N GLU A 62 103.301 16.062 -9.298 1.00 0.00 N ATOM 1003 CA GLU A 62 104.604 16.469 -9.909 1.00 0.00 C ATOM 1004 C GLU A 62 104.410 17.695 -10.806 1.00 0.00 C ATOM 1005 O GLU A 62 105.211 18.613 -10.796 1.00 0.00 O ATOM 1006 CB GLU A 62 105.053 15.264 -10.739 1.00 0.00 C ATOM 1007 CG GLU A 62 105.380 14.093 -9.809 1.00 0.00 C ATOM 1008 CD GLU A 62 105.905 12.917 -10.633 1.00 0.00 C ATOM 1009 OE1 GLU A 62 105.100 12.262 -11.274 1.00 0.00 O ATOM 1010 OE2 GLU A 62 107.105 12.692 -10.612 1.00 0.00 O ATOM 0 H GLU A 62 102.737 15.430 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 62 105.343 16.740 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 62 104.267 14.978 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 62 105.929 15.525 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 62 106.125 14.396 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 62 104.489 13.794 -9.256 1.00 0.00 H new ATOM 1017 N ILE A 63 103.351 17.713 -11.579 1.00 0.00 N ATOM 1018 CA ILE A 63 103.102 18.865 -12.502 1.00 0.00 C ATOM 1019 C ILE A 63 101.807 19.582 -12.096 1.00 0.00 C ATOM 1020 O ILE A 63 100.803 18.954 -11.818 1.00 0.00 O ATOM 1021 CB ILE A 63 102.968 18.245 -13.904 1.00 0.00 C ATOM 1022 CG1 ILE A 63 104.260 17.499 -14.269 1.00 0.00 C ATOM 1023 CG2 ILE A 63 102.721 19.349 -14.939 1.00 0.00 C ATOM 1024 CD1 ILE A 63 104.026 16.647 -15.519 1.00 0.00 C ATOM 0 H ILE A 63 102.646 16.977 -11.610 1.00 0.00 H new ATOM 0 HA ILE A 63 103.903 19.604 -12.471 1.00 0.00 H new ATOM 0 HB ILE A 63 102.130 17.549 -13.902 1.00 0.00 H new ATOM 0 HG12 ILE A 63 105.065 18.212 -14.448 1.00 0.00 H new ATOM 0 HG13 ILE A 63 104.573 16.866 -13.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 102.627 18.904 -15.930 1.00 0.00 H new ATOM 0 HG22 ILE A 63 101.802 19.881 -14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 63 103.558 20.047 -14.933 1.00 0.00 H new ATOM 0 HD11 ILE A 63 104.944 16.119 -15.776 1.00 0.00 H new ATOM 0 HD12 ILE A 63 103.234 15.924 -15.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 103.733 17.291 -16.349 1.00 0.00 H new ATOM 1036 N MET A 64 101.832 20.893 -12.063 1.00 0.00 N ATOM 1037 CA MET A 64 100.609 21.666 -11.687 1.00 0.00 C ATOM 1038 C MET A 64 99.889 22.162 -12.955 1.00 0.00 C ATOM 1039 O MET A 64 100.540 22.605 -13.883 1.00 0.00 O ATOM 1040 CB MET A 64 101.129 22.848 -10.867 1.00 0.00 C ATOM 1041 CG MET A 64 99.965 23.515 -10.132 1.00 0.00 C ATOM 1042 SD MET A 64 99.466 22.486 -8.729 1.00 0.00 S ATOM 1043 CE MET A 64 98.989 23.832 -7.619 1.00 0.00 C ATOM 0 H MET A 64 102.650 21.462 -12.281 1.00 0.00 H new ATOM 0 HA MET A 64 99.892 21.066 -11.127 1.00 0.00 H new ATOM 0 HB2 MET A 64 101.876 22.506 -10.151 1.00 0.00 H new ATOM 0 HB3 MET A 64 101.620 23.569 -11.521 1.00 0.00 H new ATOM 0 HG2 MET A 64 100.261 24.505 -9.784 1.00 0.00 H new ATOM 0 HG3 MET A 64 99.124 23.654 -10.811 1.00 0.00 H new ATOM 0 HE1 MET A 64 98.642 23.417 -6.673 1.00 0.00 H new ATOM 0 HE2 MET A 64 99.849 24.477 -7.439 1.00 0.00 H new ATOM 0 HE3 MET A 64 98.188 24.414 -8.076 1.00 0.00 H new ATOM 1053 N PRO A 65 98.567 22.080 -12.965 1.00 0.00 N ATOM 1054 CA PRO A 65 97.792 22.545 -14.148 1.00 0.00 C ATOM 1055 C PRO A 65 97.935 24.062 -14.319 1.00 0.00 C ATOM 1056 O PRO A 65 98.126 24.787 -13.359 1.00 0.00 O ATOM 1057 CB PRO A 65 96.346 22.166 -13.821 1.00 0.00 C ATOM 1058 CG PRO A 65 96.307 21.985 -12.338 1.00 0.00 C ATOM 1059 CD PRO A 65 97.684 21.559 -11.907 1.00 0.00 C ATOM 0 HA PRO A 65 98.136 22.098 -15.081 1.00 0.00 H new ATOM 0 HB2 PRO A 65 95.654 22.946 -14.140 1.00 0.00 H new ATOM 0 HB3 PRO A 65 96.054 21.251 -14.336 1.00 0.00 H new ATOM 0 HG2 PRO A 65 96.019 22.913 -11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 65 95.567 21.234 -12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 65 97.943 21.972 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 97.758 20.475 -11.823 1.00 0.00 H new ATOM 1067 N LYS A 66 97.844 24.542 -15.536 1.00 0.00 N ATOM 1068 CA LYS A 66 97.985 26.011 -15.785 1.00 0.00 C ATOM 1069 C LYS A 66 96.634 26.710 -15.608 1.00 0.00 C ATOM 1070 O LYS A 66 95.642 26.314 -16.192 1.00 0.00 O ATOM 1071 CB LYS A 66 98.466 26.130 -17.233 1.00 0.00 C ATOM 1072 CG LYS A 66 99.096 27.507 -17.453 1.00 0.00 C ATOM 1073 CD LYS A 66 97.994 28.545 -17.677 1.00 0.00 C ATOM 1074 CE LYS A 66 98.592 29.789 -18.337 1.00 0.00 C ATOM 1075 NZ LYS A 66 98.635 29.469 -19.790 1.00 0.00 N ATOM 0 H LYS A 66 97.678 23.978 -16.369 1.00 0.00 H new ATOM 0 HA LYS A 66 98.680 26.480 -15.088 1.00 0.00 H new ATOM 0 HB2 LYS A 66 99.193 25.347 -17.451 1.00 0.00 H new ATOM 0 HB3 LYS A 66 97.630 25.988 -17.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 99.700 27.784 -16.589 1.00 0.00 H new ATOM 0 HG3 LYS A 66 99.764 27.479 -18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 66 97.209 28.127 -18.308 1.00 0.00 H new ATOM 0 HD3 LYS A 66 97.532 28.811 -16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 66 97.981 30.671 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 66 99.588 30.001 -17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 99.513 29.843 -20.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 98.604 28.438 -19.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 97.818 29.902 -20.265 1.00 0.00 H new ATOM 1089 N ASN A 67 96.593 27.745 -14.805 1.00 0.00 N ATOM 1090 CA ASN A 67 95.312 28.481 -14.577 1.00 0.00 C ATOM 1091 C ASN A 67 95.369 29.860 -15.242 1.00 0.00 C ATOM 1092 O ASN A 67 96.411 30.485 -15.302 1.00 0.00 O ATOM 1093 CB ASN A 67 95.198 28.624 -13.057 1.00 0.00 C ATOM 1094 CG ASN A 67 95.006 27.244 -12.424 1.00 0.00 C ATOM 1095 OD1 ASN A 67 94.327 26.399 -12.972 1.00 0.00 O ATOM 1096 ND2 ASN A 67 95.581 26.979 -11.282 1.00 0.00 N ATOM 0 H ASN A 67 97.396 28.113 -14.295 1.00 0.00 H new ATOM 0 HA ASN A 67 94.455 27.957 -15.002 1.00 0.00 H new ATOM 0 HB2 ASN A 67 96.095 29.097 -12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 67 94.358 29.271 -12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 67 95.460 26.063 -10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 67 96.151 27.688 -10.821 1.00 0.00 H new ATOM 1103 N GLY A 68 94.252 30.333 -15.743 1.00 0.00 N ATOM 1104 CA GLY A 68 94.219 31.676 -16.402 1.00 0.00 C ATOM 1105 C GLY A 68 94.515 32.770 -15.371 1.00 0.00 C ATOM 1106 O GLY A 68 95.129 33.775 -15.683 1.00 0.00 O ATOM 0 H GLY A 68 93.358 29.843 -15.723 1.00 0.00 H new ATOM 0 HA2 GLY A 68 94.953 31.714 -17.207 1.00 0.00 H new ATOM 0 HA3 GLY A 68 93.242 31.845 -16.854 1.00 0.00 H new ATOM 1110 N THR A 69 94.083 32.579 -14.148 1.00 0.00 N ATOM 1111 CA THR A 69 94.344 33.593 -13.081 1.00 0.00 C ATOM 1112 C THR A 69 95.337 33.034 -12.058 1.00 0.00 C ATOM 1113 O THR A 69 95.311 31.862 -11.734 1.00 0.00 O ATOM 1114 CB THR A 69 92.982 33.841 -12.429 1.00 0.00 C ATOM 1115 OG1 THR A 69 92.023 34.127 -13.437 1.00 0.00 O ATOM 1116 CG2 THR A 69 93.082 35.026 -11.468 1.00 0.00 C ATOM 0 H THR A 69 93.558 31.760 -13.842 1.00 0.00 H new ATOM 0 HA THR A 69 94.778 34.511 -13.477 1.00 0.00 H new ATOM 0 HB THR A 69 92.676 32.953 -11.876 1.00 0.00 H new ATOM 0 HG1 THR A 69 91.149 34.285 -13.022 1.00 0.00 H new ATOM 0 HG21 THR A 69 92.111 35.201 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 69 93.819 34.807 -10.695 1.00 0.00 H new ATOM 0 HG23 THR A 69 93.387 35.916 -12.018 1.00 0.00 H new ATOM 1124 N LYS A 70 96.211 33.869 -11.551 1.00 0.00 N ATOM 1125 CA LYS A 70 97.226 33.392 -10.559 1.00 0.00 C ATOM 1126 C LYS A 70 96.678 33.525 -9.136 1.00 0.00 C ATOM 1127 O LYS A 70 96.334 34.606 -8.694 1.00 0.00 O ATOM 1128 CB LYS A 70 98.439 34.306 -10.754 1.00 0.00 C ATOM 1129 CG LYS A 70 99.057 34.054 -12.131 1.00 0.00 C ATOM 1130 CD LYS A 70 100.321 34.901 -12.287 1.00 0.00 C ATOM 1131 CE LYS A 70 100.872 34.745 -13.706 1.00 0.00 C ATOM 1132 NZ LYS A 70 101.729 33.528 -13.654 1.00 0.00 N ATOM 0 H LYS A 70 96.266 34.861 -11.781 1.00 0.00 H new ATOM 0 HA LYS A 70 97.481 32.342 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 70 98.138 35.350 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 70 99.177 34.119 -9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 70 99.299 32.997 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 70 98.341 34.303 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 70 100.096 35.949 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 70 101.071 34.591 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 70 100.067 34.630 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 70 101.448 35.621 -14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 102.143 33.355 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 102.490 33.669 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 101.152 32.709 -13.374 1.00 0.00 H new ATOM 1146 N SER A 71 96.596 32.429 -8.420 1.00 0.00 N ATOM 1147 CA SER A 71 96.095 32.477 -7.012 1.00 0.00 C ATOM 1148 C SER A 71 97.070 31.735 -6.079 1.00 0.00 C ATOM 1149 O SER A 71 96.826 30.602 -5.708 1.00 0.00 O ATOM 1150 CB SER A 71 94.734 31.776 -7.054 1.00 0.00 C ATOM 1151 OG SER A 71 94.025 32.056 -5.854 1.00 0.00 O ATOM 0 H SER A 71 96.856 31.500 -8.753 1.00 0.00 H new ATOM 0 HA SER A 71 96.012 33.495 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 94.162 32.118 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 71 94.869 30.700 -7.168 1.00 0.00 H new ATOM 0 HG SER A 71 93.153 31.610 -5.878 1.00 0.00 H new ATOM 1157 N PRO A 72 98.155 32.401 -5.726 1.00 0.00 N ATOM 1158 CA PRO A 72 99.177 31.772 -4.846 1.00 0.00 C ATOM 1159 C PRO A 72 98.602 31.533 -3.445 1.00 0.00 C ATOM 1160 O PRO A 72 97.840 32.332 -2.934 1.00 0.00 O ATOM 1161 CB PRO A 72 100.313 32.796 -4.803 1.00 0.00 C ATOM 1162 CG PRO A 72 99.693 34.096 -5.206 1.00 0.00 C ATOM 1163 CD PRO A 72 98.528 33.774 -6.103 1.00 0.00 C ATOM 0 HA PRO A 72 99.509 30.800 -5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 72 100.746 32.860 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.118 32.518 -5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 72 99.361 34.652 -4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 100.417 34.723 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 72 97.702 34.468 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 72 98.805 33.837 -7.155 1.00 0.00 H new ATOM 1171 N SER A 73 98.968 30.436 -2.825 1.00 0.00 N ATOM 1172 CA SER A 73 98.460 30.133 -1.452 1.00 0.00 C ATOM 1173 C SER A 73 99.624 29.772 -0.525 1.00 0.00 C ATOM 1174 O SER A 73 99.748 30.302 0.563 1.00 0.00 O ATOM 1175 CB SER A 73 97.525 28.938 -1.630 1.00 0.00 C ATOM 1176 OG SER A 73 96.564 28.934 -0.583 1.00 0.00 O ATOM 0 H SER A 73 99.599 29.736 -3.214 1.00 0.00 H new ATOM 0 HA SER A 73 97.950 30.985 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 73 97.026 28.993 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 73 98.096 28.010 -1.619 1.00 0.00 H new ATOM 0 HG SER A 73 95.961 28.169 -0.695 1.00 0.00 H new ATOM 1182 N THR A 74 100.476 28.871 -0.953 1.00 0.00 N ATOM 1183 CA THR A 74 101.645 28.467 -0.109 1.00 0.00 C ATOM 1184 C THR A 74 102.922 28.411 -0.958 1.00 0.00 C ATOM 1185 O THR A 74 102.876 28.132 -2.142 1.00 0.00 O ATOM 1186 CB THR A 74 101.286 27.078 0.445 1.00 0.00 C ATOM 1187 OG1 THR A 74 102.343 26.619 1.275 1.00 0.00 O ATOM 1188 CG2 THR A 74 101.064 26.080 -0.699 1.00 0.00 C ATOM 0 H THR A 74 100.412 28.397 -1.854 1.00 0.00 H new ATOM 0 HA THR A 74 101.838 29.178 0.694 1.00 0.00 H new ATOM 0 HB THR A 74 100.364 27.156 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 74 102.764 25.835 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 74 100.811 25.103 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 74 100.248 26.428 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 74 101.975 25.998 -1.292 1.00 0.00 H new ATOM 1196 N ASN A 75 104.057 28.673 -0.355 1.00 0.00 N ATOM 1197 CA ASN A 75 105.347 28.637 -1.118 1.00 0.00 C ATOM 1198 C ASN A 75 105.680 27.200 -1.531 1.00 0.00 C ATOM 1199 O ASN A 75 106.172 26.959 -2.619 1.00 0.00 O ATOM 1200 CB ASN A 75 106.410 29.175 -0.153 1.00 0.00 C ATOM 1201 CG ASN A 75 106.130 30.648 0.152 1.00 0.00 C ATOM 1202 OD1 ASN A 75 105.711 31.391 -0.712 1.00 0.00 O ATOM 1203 ND2 ASN A 75 106.345 31.105 1.356 1.00 0.00 N ATOM 0 H ASN A 75 104.147 28.910 0.633 1.00 0.00 H new ATOM 0 HA ASN A 75 105.294 29.229 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 75 106.404 28.595 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 75 107.402 29.066 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 75 106.161 32.085 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 75 106.697 30.482 2.083 1.00 0.00 H new ATOM 1210 N SER A 76 105.414 26.248 -0.669 1.00 0.00 N ATOM 1211 CA SER A 76 105.722 24.822 -0.994 1.00 0.00 C ATOM 1212 C SER A 76 104.853 23.887 -0.148 1.00 0.00 C ATOM 1213 O SER A 76 104.187 24.315 0.777 1.00 0.00 O ATOM 1214 CB SER A 76 107.199 24.647 -0.640 1.00 0.00 C ATOM 1215 OG SER A 76 107.653 23.392 -1.132 1.00 0.00 O ATOM 0 H SER A 76 104.995 26.399 0.249 1.00 0.00 H new ATOM 0 HA SER A 76 105.521 24.583 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 76 107.787 25.455 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 76 107.335 24.698 0.440 1.00 0.00 H new ATOM 0 HG SER A 76 108.600 23.276 -0.909 1.00 0.00 H new ATOM 1221 N THR A 77 104.857 22.612 -0.462 1.00 0.00 N ATOM 1222 CA THR A 77 104.034 21.636 0.318 1.00 0.00 C ATOM 1223 C THR A 77 104.935 20.574 0.956 1.00 0.00 C ATOM 1224 O THR A 77 105.997 20.266 0.448 1.00 0.00 O ATOM 1225 CB THR A 77 103.099 20.995 -0.710 1.00 0.00 C ATOM 1226 OG1 THR A 77 103.866 20.478 -1.788 1.00 0.00 O ATOM 1227 CG2 THR A 77 102.115 22.042 -1.237 1.00 0.00 C ATOM 0 H THR A 77 105.396 22.206 -1.227 1.00 0.00 H new ATOM 0 HA THR A 77 103.484 22.115 1.128 1.00 0.00 H new ATOM 0 HB THR A 77 102.543 20.186 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 77 103.269 20.066 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 77 101.451 21.582 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 77 101.525 22.436 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 77 102.667 22.855 -1.709 1.00 0.00 H new ATOM 1235 N LYS A 78 104.514 20.018 2.067 1.00 0.00 N ATOM 1236 CA LYS A 78 105.331 18.966 2.747 1.00 0.00 C ATOM 1237 C LYS A 78 104.417 17.896 3.351 1.00 0.00 C ATOM 1238 O LYS A 78 103.366 18.199 3.886 1.00 0.00 O ATOM 1239 CB LYS A 78 106.093 19.707 3.847 1.00 0.00 C ATOM 1240 CG LYS A 78 107.127 18.769 4.476 1.00 0.00 C ATOM 1241 CD LYS A 78 107.908 19.518 5.558 1.00 0.00 C ATOM 1242 CE LYS A 78 107.008 19.741 6.775 1.00 0.00 C ATOM 1243 NZ LYS A 78 107.887 20.391 7.788 1.00 0.00 N ATOM 0 H LYS A 78 103.636 20.249 2.533 1.00 0.00 H new ATOM 0 HA LYS A 78 106.005 18.455 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 78 106.588 20.585 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 78 105.399 20.062 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 78 106.630 17.900 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 78 107.810 18.398 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 108.791 18.947 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 78 108.259 20.475 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 78 106.157 20.374 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 78 106.606 18.799 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 107.341 20.576 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 108.685 19.762 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 108.249 21.289 7.408 1.00 0.00 H new ATOM 1257 N LEU A 79 104.813 16.649 3.268 1.00 0.00 N ATOM 1258 CA LEU A 79 103.983 15.550 3.855 1.00 0.00 C ATOM 1259 C LEU A 79 104.453 15.236 5.278 1.00 0.00 C ATOM 1260 O LEU A 79 105.639 15.135 5.538 1.00 0.00 O ATOM 1261 CB LEU A 79 104.204 14.342 2.938 1.00 0.00 C ATOM 1262 CG LEU A 79 103.640 14.640 1.545 1.00 0.00 C ATOM 1263 CD1 LEU A 79 104.094 13.551 0.570 1.00 0.00 C ATOM 1264 CD2 LEU A 79 102.110 14.660 1.605 1.00 0.00 C ATOM 0 H LEU A 79 105.676 16.344 2.818 1.00 0.00 H new ATOM 0 HA LEU A 79 102.929 15.822 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 79 105.268 14.116 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 79 103.717 13.461 3.357 1.00 0.00 H new ATOM 0 HG LEU A 79 104.003 15.610 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 103.694 13.761 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 79 105.183 13.533 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 79 103.729 12.582 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 79 101.710 14.872 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 79 101.746 13.690 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 101.783 15.433 2.301 1.00 0.00 H new ATOM 1276 N LYS A 80 103.531 15.083 6.198 1.00 0.00 N ATOM 1277 CA LYS A 80 103.912 14.803 7.616 1.00 0.00 C ATOM 1278 C LYS A 80 103.835 13.300 7.901 1.00 0.00 C ATOM 1279 O LYS A 80 104.631 12.763 8.649 1.00 0.00 O ATOM 1280 CB LYS A 80 102.885 15.563 8.458 1.00 0.00 C ATOM 1281 CG LYS A 80 103.312 15.544 9.927 1.00 0.00 C ATOM 1282 CD LYS A 80 102.253 16.251 10.776 1.00 0.00 C ATOM 1283 CE LYS A 80 102.756 16.384 12.214 1.00 0.00 C ATOM 1284 NZ LYS A 80 103.634 17.588 12.204 1.00 0.00 N ATOM 0 H LYS A 80 102.527 15.140 6.026 1.00 0.00 H new ATOM 0 HA LYS A 80 104.933 15.114 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 80 102.801 16.591 8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 80 101.901 15.107 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 80 103.439 14.516 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 80 104.276 16.039 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 80 102.038 17.236 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 80 101.320 15.687 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 80 101.928 16.505 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 80 103.307 15.496 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 104.488 17.399 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 103.906 17.811 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 103.121 18.395 12.613 1.00 0.00 H new ATOM 1298 N SER A 81 102.882 12.622 7.307 1.00 0.00 N ATOM 1299 CA SER A 81 102.720 11.151 7.564 1.00 0.00 C ATOM 1300 C SER A 81 103.952 10.381 7.075 1.00 0.00 C ATOM 1301 O SER A 81 104.346 9.391 7.665 1.00 0.00 O ATOM 1302 CB SER A 81 101.482 10.733 6.769 1.00 0.00 C ATOM 1303 OG SER A 81 100.380 11.547 7.153 1.00 0.00 O ATOM 0 H SER A 81 102.208 13.022 6.654 1.00 0.00 H new ATOM 0 HA SER A 81 102.612 10.936 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 81 101.670 10.836 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 81 101.255 9.683 6.953 1.00 0.00 H new ATOM 0 HG SER A 81 99.585 11.283 6.644 1.00 0.00 H new ATOM 1309 N ALA A 82 104.558 10.832 6.003 1.00 0.00 N ATOM 1310 CA ALA A 82 105.768 10.128 5.464 1.00 0.00 C ATOM 1311 C ALA A 82 106.945 10.267 6.436 1.00 0.00 C ATOM 1312 O ALA A 82 107.775 9.382 6.545 1.00 0.00 O ATOM 1313 CB ALA A 82 106.087 10.824 4.138 1.00 0.00 C ATOM 0 H ALA A 82 104.268 11.657 5.477 1.00 0.00 H new ATOM 0 HA ALA A 82 105.590 9.061 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 82 106.964 10.360 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 82 105.237 10.728 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 82 106.288 11.880 4.320 1.00 0.00 H new ATOM 1319 N GLU A 83 107.020 11.371 7.142 1.00 0.00 N ATOM 1320 CA GLU A 83 108.157 11.589 8.096 1.00 0.00 C ATOM 1321 C GLU A 83 108.100 10.570 9.241 1.00 0.00 C ATOM 1322 O GLU A 83 109.121 10.152 9.758 1.00 0.00 O ATOM 1323 CB GLU A 83 107.969 13.011 8.636 1.00 0.00 C ATOM 1324 CG GLU A 83 109.195 13.416 9.458 1.00 0.00 C ATOM 1325 CD GLU A 83 108.954 14.782 10.105 1.00 0.00 C ATOM 1326 OE1 GLU A 83 107.863 14.994 10.609 1.00 0.00 O ATOM 1327 OE2 GLU A 83 109.865 15.594 10.085 1.00 0.00 O ATOM 0 H GLU A 83 106.342 12.132 7.099 1.00 0.00 H new ATOM 0 HA GLU A 83 109.124 11.465 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 83 107.826 13.708 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 83 107.072 13.060 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 83 109.393 12.669 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 83 110.077 13.456 8.818 1.00 0.00 H new ATOM 1334 N THR A 84 106.916 10.170 9.636 1.00 0.00 N ATOM 1335 CA THR A 84 106.779 9.195 10.762 1.00 0.00 C ATOM 1336 C THR A 84 106.211 7.869 10.249 1.00 0.00 C ATOM 1337 O THR A 84 105.657 7.800 9.168 1.00 0.00 O ATOM 1338 CB THR A 84 105.806 9.851 11.743 1.00 0.00 C ATOM 1339 OG1 THR A 84 104.616 10.212 11.056 1.00 0.00 O ATOM 1340 CG2 THR A 84 106.448 11.101 12.349 1.00 0.00 C ATOM 0 H THR A 84 106.035 10.478 9.225 1.00 0.00 H new ATOM 0 HA THR A 84 107.738 8.970 11.230 1.00 0.00 H new ATOM 0 HB THR A 84 105.567 9.148 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 84 103.990 10.631 11.683 1.00 0.00 H new ATOM 0 HG21 THR A 84 105.752 11.566 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 84 107.360 10.822 12.877 1.00 0.00 H new ATOM 0 HG23 THR A 84 106.690 11.807 11.555 1.00 0.00 H new ATOM 1348 N TYR A 85 106.346 6.818 11.022 1.00 0.00 N ATOM 1349 CA TYR A 85 105.817 5.486 10.593 1.00 0.00 C ATOM 1350 C TYR A 85 104.641 5.065 11.484 1.00 0.00 C ATOM 1351 O TYR A 85 103.717 4.414 11.034 1.00 0.00 O ATOM 1352 CB TYR A 85 106.993 4.514 10.745 1.00 0.00 C ATOM 1353 CG TYR A 85 107.509 4.381 12.163 1.00 0.00 C ATOM 1354 CD1 TYR A 85 108.537 5.237 12.629 1.00 0.00 C ATOM 1355 CD2 TYR A 85 106.962 3.398 13.023 1.00 0.00 C ATOM 1356 CE1 TYR A 85 109.017 5.111 13.955 1.00 0.00 C ATOM 1357 CE2 TYR A 85 107.443 3.272 14.350 1.00 0.00 C ATOM 1358 CZ TYR A 85 108.469 4.128 14.816 1.00 0.00 C ATOM 1359 OH TYR A 85 108.938 4.005 16.109 1.00 0.00 O ATOM 0 H TYR A 85 106.802 6.826 11.935 1.00 0.00 H new ATOM 0 HA TYR A 85 105.442 5.505 9.570 1.00 0.00 H new ATOM 0 HB2 TYR A 85 106.686 3.531 10.388 1.00 0.00 H new ATOM 0 HB3 TYR A 85 107.809 4.845 10.103 1.00 0.00 H new ATOM 0 HD1 TYR A 85 108.955 5.986 11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 85 106.179 2.745 12.668 1.00 0.00 H new ATOM 0 HE1 TYR A 85 109.801 5.764 14.310 1.00 0.00 H new ATOM 0 HE2 TYR A 85 107.026 2.522 15.006 1.00 0.00 H new ATOM 0 HH TYR A 85 108.455 3.284 16.565 1.00 0.00 H new ATOM 1369 N SER A 86 104.675 5.437 12.741 1.00 0.00 N ATOM 1370 CA SER A 86 103.566 5.064 13.673 1.00 0.00 C ATOM 1371 C SER A 86 103.116 6.288 14.476 1.00 0.00 C ATOM 1372 O SER A 86 103.838 7.261 14.595 1.00 0.00 O ATOM 1373 CB SER A 86 104.167 4.007 14.600 1.00 0.00 C ATOM 1374 OG SER A 86 105.173 4.607 15.405 1.00 0.00 O ATOM 0 H SER A 86 105.426 5.984 13.162 1.00 0.00 H new ATOM 0 HA SER A 86 102.689 4.691 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 86 103.390 3.575 15.231 1.00 0.00 H new ATOM 0 HB3 SER A 86 104.592 3.192 14.014 1.00 0.00 H new ATOM 0 HG SER A 86 106.005 4.095 15.325 1.00 0.00 H new ATOM 1380 N SER A 87 101.926 6.242 15.026 1.00 0.00 N ATOM 1381 CA SER A 87 101.412 7.396 15.825 1.00 0.00 C ATOM 1382 C SER A 87 101.203 6.980 17.283 1.00 0.00 C ATOM 1383 O SER A 87 100.936 5.827 17.573 1.00 0.00 O ATOM 1384 CB SER A 87 100.077 7.762 15.176 1.00 0.00 C ATOM 1385 OG SER A 87 100.291 8.070 13.804 1.00 0.00 O ATOM 0 H SER A 87 101.287 5.450 14.955 1.00 0.00 H new ATOM 0 HA SER A 87 102.107 8.236 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 87 99.375 6.934 15.270 1.00 0.00 H new ATOM 0 HB3 SER A 87 99.633 8.616 15.687 1.00 0.00 H new ATOM 0 HG SER A 87 99.437 8.304 13.384 1.00 0.00 H new ATOM 1391 N LYS A 88 101.324 7.909 18.199 1.00 0.00 N ATOM 1392 CA LYS A 88 101.153 7.575 19.647 1.00 0.00 C ATOM 1393 C LYS A 88 99.693 7.764 20.066 1.00 0.00 C ATOM 1394 O LYS A 88 99.105 8.804 19.839 1.00 0.00 O ATOM 1395 CB LYS A 88 102.057 8.557 20.397 1.00 0.00 C ATOM 1396 CG LYS A 88 103.522 8.259 20.068 1.00 0.00 C ATOM 1397 CD LYS A 88 104.427 9.172 20.899 1.00 0.00 C ATOM 1398 CE LYS A 88 105.884 8.970 20.475 1.00 0.00 C ATOM 1399 NZ LYS A 88 106.316 7.722 21.167 1.00 0.00 N ATOM 0 H LYS A 88 101.535 8.888 18.005 1.00 0.00 H new ATOM 0 HA LYS A 88 101.414 6.539 19.861 1.00 0.00 H new ATOM 0 HB2 LYS A 88 101.811 9.581 20.115 1.00 0.00 H new ATOM 0 HB3 LYS A 88 101.890 8.473 21.471 1.00 0.00 H new ATOM 0 HG2 LYS A 88 103.748 7.214 20.280 1.00 0.00 H new ATOM 0 HG3 LYS A 88 103.706 8.416 19.005 1.00 0.00 H new ATOM 0 HD2 LYS A 88 104.138 10.214 20.759 1.00 0.00 H new ATOM 0 HD3 LYS A 88 104.311 8.949 21.960 1.00 0.00 H new ATOM 0 HE2 LYS A 88 105.970 8.872 19.393 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.502 9.819 20.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 107.151 7.922 21.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 105.543 7.374 21.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 106.556 6.998 20.460 1.00 0.00 H new ATOM 1413 N ASN A 89 99.105 6.759 20.681 1.00 0.00 N ATOM 1414 CA ASN A 89 97.669 6.843 21.126 1.00 0.00 C ATOM 1415 C ASN A 89 96.750 7.229 19.957 1.00 0.00 C ATOM 1416 O ASN A 89 95.740 7.882 20.145 1.00 0.00 O ATOM 1417 CB ASN A 89 97.638 7.921 22.216 1.00 0.00 C ATOM 1418 CG ASN A 89 96.382 7.752 23.077 1.00 0.00 C ATOM 1419 OD1 ASN A 89 95.357 7.300 22.602 1.00 0.00 O ATOM 1420 ND2 ASN A 89 96.418 8.100 24.334 1.00 0.00 N ATOM 0 H ASN A 89 99.564 5.874 20.896 1.00 0.00 H new ATOM 0 HA ASN A 89 97.311 5.882 21.496 1.00 0.00 H new ATOM 0 HB2 ASN A 89 98.530 7.847 22.839 1.00 0.00 H new ATOM 0 HB3 ASN A 89 97.648 8.912 21.761 1.00 0.00 H new ATOM 0 HD21 ASN A 89 95.588 7.993 24.917 1.00 0.00 H new ATOM 0 HD22 ASN A 89 97.276 8.479 24.734 1.00 0.00 H new ATOM 1427 N LYS A 90 97.098 6.831 18.757 1.00 0.00 N ATOM 1428 CA LYS A 90 96.226 7.122 17.576 1.00 0.00 C ATOM 1429 C LYS A 90 96.094 5.872 16.700 1.00 0.00 C ATOM 1430 O LYS A 90 96.947 5.590 15.877 1.00 0.00 O ATOM 1431 CB LYS A 90 96.942 8.237 16.810 1.00 0.00 C ATOM 1432 CG LYS A 90 96.913 9.533 17.625 1.00 0.00 C ATOM 1433 CD LYS A 90 95.488 10.094 17.652 1.00 0.00 C ATOM 1434 CE LYS A 90 95.496 11.480 18.302 1.00 0.00 C ATOM 1435 NZ LYS A 90 94.358 12.207 17.672 1.00 0.00 N ATOM 0 H LYS A 90 97.952 6.315 18.544 1.00 0.00 H new ATOM 0 HA LYS A 90 95.219 7.416 17.872 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.973 7.947 16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 90 96.461 8.394 15.845 1.00 0.00 H new ATOM 0 HG2 LYS A 90 97.259 9.343 18.641 1.00 0.00 H new ATOM 0 HG3 LYS A 90 97.594 10.264 17.188 1.00 0.00 H new ATOM 0 HD2 LYS A 90 95.092 10.158 16.638 1.00 0.00 H new ATOM 0 HD3 LYS A 90 94.833 9.424 18.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 95.370 11.410 19.382 1.00 0.00 H new ATOM 0 HE3 LYS A 90 96.440 11.994 18.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 94.059 12.987 18.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 94.657 12.590 16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 93.562 11.552 17.532 1.00 0.00 H new ATOM 1449 N TRP A 91 95.030 5.124 16.871 1.00 0.00 N ATOM 1450 CA TRP A 91 94.827 3.894 16.045 1.00 0.00 C ATOM 1451 C TRP A 91 93.361 3.454 16.099 1.00 0.00 C ATOM 1452 O TRP A 91 92.685 3.398 15.088 1.00 0.00 O ATOM 1453 CB TRP A 91 95.730 2.834 16.679 1.00 0.00 C ATOM 1454 CG TRP A 91 95.954 1.641 15.806 1.00 0.00 C ATOM 1455 CD1 TRP A 91 96.752 1.618 14.711 1.00 0.00 C ATOM 1456 CD2 TRP A 91 95.391 0.304 15.932 1.00 0.00 C ATOM 1457 NE1 TRP A 91 96.718 0.350 14.153 1.00 0.00 N ATOM 1458 CE2 TRP A 91 95.895 -0.500 14.864 1.00 0.00 C ATOM 1459 CE3 TRP A 91 94.496 -0.296 16.860 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 95.526 -1.855 14.720 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 94.121 -1.659 16.720 1.00 0.00 C ATOM 1462 CH2 TRP A 91 94.636 -2.436 15.651 1.00 0.00 C ATOM 0 H TRP A 91 94.292 5.314 17.549 1.00 0.00 H new ATOM 0 HA TRP A 91 95.069 4.059 14.995 1.00 0.00 H new ATOM 0 HB2 TRP A 91 96.693 3.285 16.919 1.00 0.00 H new ATOM 0 HB3 TRP A 91 95.288 2.508 17.620 1.00 0.00 H new ATOM 0 HD1 TRP A 91 97.323 2.454 14.334 1.00 0.00 H new ATOM 0 HE1 TRP A 91 97.238 0.078 13.319 1.00 0.00 H new ATOM 0 HE3 TRP A 91 94.099 0.288 17.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 95.921 -2.443 13.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 93.441 -2.105 17.430 1.00 0.00 H new ATOM 0 HH2 TRP A 91 94.348 -3.472 15.549 1.00 0.00 H new ATOM 1473 N SER A 92 92.867 3.140 17.274 1.00 0.00 N ATOM 1474 CA SER A 92 91.451 2.678 17.402 1.00 0.00 C ATOM 1475 C SER A 92 90.546 3.841 17.819 1.00 0.00 C ATOM 1476 O SER A 92 89.417 3.946 17.377 1.00 0.00 O ATOM 1477 CB SER A 92 91.481 1.607 18.491 1.00 0.00 C ATOM 1478 OG SER A 92 90.201 0.998 18.586 1.00 0.00 O ATOM 0 H SER A 92 93.386 3.185 18.151 1.00 0.00 H new ATOM 0 HA SER A 92 91.058 2.294 16.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 92.237 0.857 18.259 1.00 0.00 H new ATOM 0 HB3 SER A 92 91.757 2.052 19.447 1.00 0.00 H new ATOM 0 HG SER A 92 90.217 0.309 19.283 1.00 0.00 H new ATOM 1484 N MET A 93 91.037 4.713 18.667 1.00 0.00 N ATOM 1485 CA MET A 93 90.200 5.863 19.142 1.00 0.00 C ATOM 1486 C MET A 93 89.916 6.828 17.986 1.00 0.00 C ATOM 1487 O MET A 93 88.811 7.314 17.834 1.00 0.00 O ATOM 1488 CB MET A 93 91.034 6.554 20.227 1.00 0.00 C ATOM 1489 CG MET A 93 90.105 7.257 21.219 1.00 0.00 C ATOM 1490 SD MET A 93 89.557 8.836 20.524 1.00 0.00 S ATOM 1491 CE MET A 93 91.138 9.706 20.665 1.00 0.00 C ATOM 0 H MET A 93 91.981 4.679 19.051 1.00 0.00 H new ATOM 0 HA MET A 93 89.234 5.533 19.525 1.00 0.00 H new ATOM 0 HB2 MET A 93 91.651 5.821 20.747 1.00 0.00 H new ATOM 0 HB3 MET A 93 91.712 7.277 19.773 1.00 0.00 H new ATOM 0 HG2 MET A 93 89.244 6.625 21.436 1.00 0.00 H new ATOM 0 HG3 MET A 93 90.624 7.424 22.163 1.00 0.00 H new ATOM 0 HE1 MET A 93 91.025 10.728 20.302 1.00 0.00 H new ATOM 0 HE2 MET A 93 91.451 9.724 21.709 1.00 0.00 H new ATOM 0 HE3 MET A 93 91.891 9.191 20.069 1.00 0.00 H new ATOM 1501 N ASP A 94 90.907 7.105 17.174 1.00 0.00 N ATOM 1502 CA ASP A 94 90.704 8.019 16.008 1.00 0.00 C ATOM 1503 C ASP A 94 90.766 7.228 14.699 1.00 0.00 C ATOM 1504 O ASP A 94 91.473 6.243 14.595 1.00 0.00 O ATOM 1505 CB ASP A 94 91.856 9.024 16.084 1.00 0.00 C ATOM 1506 CG ASP A 94 91.691 9.908 17.324 1.00 0.00 C ATOM 1507 OD1 ASP A 94 90.572 10.314 17.596 1.00 0.00 O ATOM 1508 OD2 ASP A 94 92.687 10.164 17.980 1.00 0.00 O ATOM 0 H ASP A 94 91.853 6.735 17.270 1.00 0.00 H new ATOM 0 HA ASP A 94 89.732 8.512 16.035 1.00 0.00 H new ATOM 0 HB2 ASP A 94 92.809 8.497 16.126 1.00 0.00 H new ATOM 0 HB3 ASP A 94 91.873 9.641 15.186 1.00 0.00 H new ATOM 1513 N CYS A 95 90.026 7.657 13.696 1.00 0.00 N ATOM 1514 CA CYS A 95 90.015 6.943 12.371 1.00 0.00 C ATOM 1515 C CYS A 95 89.712 5.449 12.553 1.00 0.00 C ATOM 1516 O CYS A 95 90.601 4.654 12.804 1.00 0.00 O ATOM 1517 CB CYS A 95 91.417 7.140 11.784 1.00 0.00 C ATOM 1518 SG CYS A 95 91.418 6.645 10.043 1.00 0.00 S ATOM 0 H CYS A 95 89.424 8.479 13.740 1.00 0.00 H new ATOM 0 HA CYS A 95 89.241 7.338 11.713 1.00 0.00 H new ATOM 0 HB2 CYS A 95 91.718 8.183 11.877 1.00 0.00 H new ATOM 0 HB3 CYS A 95 92.143 6.548 12.342 1.00 0.00 H new ATOM 0 HG CYS A 95 92.607 6.814 9.544 1.00 0.00 H new ATOM 1524 N ASP A 96 88.465 5.068 12.428 1.00 0.00 N ATOM 1525 CA ASP A 96 88.092 3.626 12.596 1.00 0.00 C ATOM 1526 C ASP A 96 88.594 2.804 11.403 1.00 0.00 C ATOM 1527 O ASP A 96 89.122 3.344 10.447 1.00 0.00 O ATOM 1528 CB ASP A 96 86.555 3.594 12.679 1.00 0.00 C ATOM 1529 CG ASP A 96 85.934 4.182 11.404 1.00 0.00 C ATOM 1530 OD1 ASP A 96 85.596 5.354 11.420 1.00 0.00 O ATOM 1531 OD2 ASP A 96 85.809 3.449 10.438 1.00 0.00 O ATOM 0 H ASP A 96 87.687 5.693 12.217 1.00 0.00 H new ATOM 0 HA ASP A 96 88.543 3.193 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 96 86.214 2.568 12.817 1.00 0.00 H new ATOM 0 HB3 ASP A 96 86.220 4.160 13.548 1.00 0.00 H new ATOM 1536 N GLU A 97 88.433 1.505 11.456 1.00 0.00 N ATOM 1537 CA GLU A 97 88.900 0.635 10.333 1.00 0.00 C ATOM 1538 C GLU A 97 87.711 0.197 9.474 1.00 0.00 C ATOM 1539 O GLU A 97 86.623 -0.019 9.973 1.00 0.00 O ATOM 1540 CB GLU A 97 89.548 -0.575 11.008 1.00 0.00 C ATOM 1541 CG GLU A 97 90.811 -0.134 11.753 1.00 0.00 C ATOM 1542 CD GLU A 97 91.497 -1.355 12.373 1.00 0.00 C ATOM 1543 OE1 GLU A 97 91.558 -2.379 11.712 1.00 0.00 O ATOM 1544 OE2 GLU A 97 91.951 -1.244 13.500 1.00 0.00 O ATOM 0 H GLU A 97 87.996 1.008 12.232 1.00 0.00 H new ATOM 0 HA GLU A 97 89.596 1.153 9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 97 88.846 -1.035 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 97 89.799 -1.329 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 97 91.493 0.369 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 97 90.554 0.585 12.531 1.00 0.00 H new ATOM 1551 N GLU A 98 87.915 0.065 8.179 1.00 0.00 N ATOM 1552 CA GLU A 98 86.809 -0.357 7.249 1.00 0.00 C ATOM 1553 C GLU A 98 85.565 0.523 7.436 1.00 0.00 C ATOM 1554 O GLU A 98 85.592 1.502 8.160 1.00 0.00 O ATOM 1555 CB GLU A 98 86.497 -1.813 7.614 1.00 0.00 C ATOM 1556 CG GLU A 98 87.700 -2.696 7.272 1.00 0.00 C ATOM 1557 CD GLU A 98 87.359 -4.166 7.540 1.00 0.00 C ATOM 1558 OE1 GLU A 98 86.659 -4.430 8.504 1.00 0.00 O ATOM 1559 OE2 GLU A 98 87.806 -5.004 6.774 1.00 0.00 O ATOM 0 H GLU A 98 88.811 0.234 7.722 1.00 0.00 H new ATOM 0 HA GLU A 98 87.107 -0.254 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 98 86.266 -1.891 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 98 85.616 -2.154 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 98 87.975 -2.562 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 98 88.562 -2.399 7.869 1.00 0.00 H new ATOM 1566 N PHE A 99 84.479 0.177 6.786 1.00 0.00 N ATOM 1567 CA PHE A 99 83.225 0.980 6.920 1.00 0.00 C ATOM 1568 C PHE A 99 82.108 0.118 7.518 1.00 0.00 C ATOM 1569 O PHE A 99 82.081 -1.085 7.336 1.00 0.00 O ATOM 1570 CB PHE A 99 82.871 1.401 5.494 1.00 0.00 C ATOM 1571 CG PHE A 99 83.911 2.288 4.851 1.00 0.00 C ATOM 1572 CD1 PHE A 99 84.912 1.722 4.024 1.00 0.00 C ATOM 1573 CD2 PHE A 99 83.887 3.686 5.077 1.00 0.00 C ATOM 1574 CE1 PHE A 99 85.888 2.552 3.422 1.00 0.00 C ATOM 1575 CE2 PHE A 99 84.863 4.517 4.474 1.00 0.00 C ATOM 1576 CZ PHE A 99 85.863 3.951 3.647 1.00 0.00 C ATOM 0 H PHE A 99 84.409 -0.630 6.167 1.00 0.00 H new ATOM 0 HA PHE A 99 83.352 1.839 7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 99 82.738 0.508 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 99 81.915 1.925 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 99 84.931 0.656 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 99 83.125 4.118 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 99 86.651 2.119 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.844 5.583 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.607 4.585 3.188 1.00 0.00 H new ATOM 1586 N ASP A 100 81.192 0.729 8.229 1.00 0.00 N ATOM 1587 CA ASP A 100 80.070 -0.046 8.847 1.00 0.00 C ATOM 1588 C ASP A 100 78.950 -0.258 7.825 1.00 0.00 C ATOM 1589 O ASP A 100 78.561 0.658 7.123 1.00 0.00 O ATOM 1590 CB ASP A 100 79.576 0.811 10.015 1.00 0.00 C ATOM 1591 CG ASP A 100 80.668 0.906 11.085 1.00 0.00 C ATOM 1592 OD1 ASP A 100 81.294 -0.105 11.359 1.00 0.00 O ATOM 1593 OD2 ASP A 100 80.861 1.990 11.611 1.00 0.00 O ATOM 0 H ASP A 100 81.173 1.733 8.409 1.00 0.00 H new ATOM 0 HA ASP A 100 80.390 -1.033 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 100 79.313 1.808 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 100 78.673 0.375 10.442 1.00 0.00 H new ATOM 1598 N PHE A 101 78.431 -1.459 7.740 1.00 0.00 N ATOM 1599 CA PHE A 101 77.330 -1.744 6.770 1.00 0.00 C ATOM 1600 C PHE A 101 75.991 -1.842 7.505 1.00 0.00 C ATOM 1601 O PHE A 101 75.895 -2.444 8.557 1.00 0.00 O ATOM 1602 CB PHE A 101 77.696 -3.088 6.140 1.00 0.00 C ATOM 1603 CG PHE A 101 76.768 -3.501 5.024 1.00 0.00 C ATOM 1604 CD1 PHE A 101 76.994 -3.037 3.705 1.00 0.00 C ATOM 1605 CD2 PHE A 101 75.670 -4.353 5.296 1.00 0.00 C ATOM 1606 CE1 PHE A 101 76.122 -3.424 2.658 1.00 0.00 C ATOM 1607 CE2 PHE A 101 74.798 -4.741 4.248 1.00 0.00 C ATOM 1608 CZ PHE A 101 75.024 -4.277 2.930 1.00 0.00 C ATOM 0 H PHE A 101 78.725 -2.257 8.304 1.00 0.00 H new ATOM 0 HA PHE A 101 77.224 -0.959 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 101 78.714 -3.035 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 101 77.688 -3.857 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 101 77.832 -2.388 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 101 75.497 -4.707 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 101 76.294 -3.069 1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 101 73.961 -5.391 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 101 74.360 -4.573 2.132 1.00 0.00 H new ATOM 1618 N ALA A 102 74.952 -1.250 6.951 1.00 0.00 N ATOM 1619 CA ALA A 102 73.592 -1.291 7.594 1.00 0.00 C ATOM 1620 C ALA A 102 73.659 -0.820 9.055 1.00 0.00 C ATOM 1621 O ALA A 102 72.915 -1.284 9.899 1.00 0.00 O ATOM 1622 CB ALA A 102 73.142 -2.756 7.520 1.00 0.00 C ATOM 0 H ALA A 102 74.989 -0.735 6.071 1.00 0.00 H new ATOM 0 HA ALA A 102 72.893 -0.627 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 102 72.155 -2.857 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 102 73.097 -3.071 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 102 73.853 -3.383 8.058 1.00 0.00 H new ATOM 1628 N ALA A 103 74.547 0.099 9.348 1.00 0.00 N ATOM 1629 CA ALA A 103 74.672 0.613 10.745 1.00 0.00 C ATOM 1630 C ALA A 103 73.930 1.946 10.886 1.00 0.00 C ATOM 1631 O ALA A 103 73.836 2.713 9.946 1.00 0.00 O ATOM 1632 CB ALA A 103 76.172 0.810 10.962 1.00 0.00 C ATOM 0 H ALA A 103 75.192 0.516 8.676 1.00 0.00 H new ATOM 0 HA ALA A 103 74.241 -0.070 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 76.347 1.187 11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 103 76.686 -0.143 10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 103 76.554 1.526 10.235 1.00 0.00 H new ATOM 1638 N ASN A 104 73.403 2.221 12.055 1.00 0.00 N ATOM 1639 CA ASN A 104 72.655 3.497 12.267 1.00 0.00 C ATOM 1640 C ASN A 104 73.576 4.556 12.879 1.00 0.00 C ATOM 1641 O ASN A 104 73.891 4.510 14.055 1.00 0.00 O ATOM 1642 CB ASN A 104 71.528 3.141 13.238 1.00 0.00 C ATOM 1643 CG ASN A 104 70.525 4.293 13.302 1.00 0.00 C ATOM 1644 OD1 ASN A 104 69.937 4.658 12.303 1.00 0.00 O ATOM 1645 ND2 ASN A 104 70.301 4.885 14.443 1.00 0.00 N ATOM 0 H ASN A 104 73.460 1.614 12.873 1.00 0.00 H new ATOM 0 HA ASN A 104 72.273 3.910 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 104 71.029 2.228 12.913 1.00 0.00 H new ATOM 0 HB3 ASN A 104 71.936 2.945 14.229 1.00 0.00 H new ATOM 0 HD21 ASN A 104 69.633 5.654 14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 104 70.794 4.579 15.282 1.00 0.00 H new ATOM 1652 N LEU A 105 74.008 5.508 12.088 1.00 0.00 N ATOM 1653 CA LEU A 105 74.904 6.584 12.611 1.00 0.00 C ATOM 1654 C LEU A 105 74.120 7.888 12.783 1.00 0.00 C ATOM 1655 O LEU A 105 73.295 8.237 11.957 1.00 0.00 O ATOM 1656 CB LEU A 105 75.994 6.751 11.550 1.00 0.00 C ATOM 1657 CG LEU A 105 76.830 5.470 11.460 1.00 0.00 C ATOM 1658 CD1 LEU A 105 77.730 5.533 10.224 1.00 0.00 C ATOM 1659 CD2 LEU A 105 77.699 5.338 12.713 1.00 0.00 C ATOM 0 H LEU A 105 73.777 5.585 11.098 1.00 0.00 H new ATOM 0 HA LEU A 105 75.322 6.332 13.586 1.00 0.00 H new ATOM 0 HB2 LEU A 105 75.542 6.970 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 105 76.634 7.597 11.802 1.00 0.00 H new ATOM 0 HG LEU A 105 76.166 4.609 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 105 78.325 4.622 10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 105 77.114 5.628 9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 105 78.393 6.394 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 105 78.294 4.427 12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 105 78.362 6.200 12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 105 77.061 5.293 13.595 1.00 0.00 H new ATOM 1671 N GLU A 106 74.373 8.607 13.849 1.00 0.00 N ATOM 1672 CA GLU A 106 73.653 9.896 14.083 1.00 0.00 C ATOM 1673 C GLU A 106 74.580 11.079 13.783 1.00 0.00 C ATOM 1674 O GLU A 106 75.726 11.095 14.191 1.00 0.00 O ATOM 1675 CB GLU A 106 73.272 9.872 15.565 1.00 0.00 C ATOM 1676 CG GLU A 106 72.350 11.055 15.878 1.00 0.00 C ATOM 1677 CD GLU A 106 72.074 11.107 17.383 1.00 0.00 C ATOM 1678 OE1 GLU A 106 70.932 11.333 17.747 1.00 0.00 O ATOM 1679 OE2 GLU A 106 73.010 10.924 18.145 1.00 0.00 O ATOM 0 H GLU A 106 75.050 8.355 14.569 1.00 0.00 H new ATOM 0 HA GLU A 106 72.780 10.007 13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 106 72.772 8.934 15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 106 74.169 9.924 16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 106 72.813 11.986 15.551 1.00 0.00 H new ATOM 0 HG3 GLU A 106 71.413 10.954 15.330 1.00 0.00 H new ATOM 1686 N LYS A 107 74.087 12.064 13.072 1.00 0.00 N ATOM 1687 CA LYS A 107 74.928 13.256 12.742 1.00 0.00 C ATOM 1688 C LYS A 107 74.486 14.461 13.578 1.00 0.00 C ATOM 1689 O LYS A 107 73.309 14.744 13.697 1.00 0.00 O ATOM 1690 CB LYS A 107 74.683 13.517 11.254 1.00 0.00 C ATOM 1691 CG LYS A 107 75.267 12.367 10.429 1.00 0.00 C ATOM 1692 CD LYS A 107 75.124 12.685 8.939 1.00 0.00 C ATOM 1693 CE LYS A 107 75.612 11.492 8.114 1.00 0.00 C ATOM 1694 NZ LYS A 107 74.449 10.564 8.054 1.00 0.00 N ATOM 0 H LYS A 107 73.136 12.093 12.705 1.00 0.00 H new ATOM 0 HA LYS A 107 75.983 13.089 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 107 73.614 13.610 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 107 75.143 14.460 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 107 76.317 12.221 10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 107 74.750 11.437 10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 107 74.083 12.904 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 107 75.702 13.575 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 107 75.921 11.802 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 107 76.474 11.015 8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 74.783 9.583 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 73.795 10.776 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 73.955 10.684 7.147 1.00 0.00 H new ATOM 1708 N PHE A 108 75.427 15.169 14.155 1.00 0.00 N ATOM 1709 CA PHE A 108 75.072 16.368 14.979 1.00 0.00 C ATOM 1710 C PHE A 108 74.653 17.530 14.073 1.00 0.00 C ATOM 1711 O PHE A 108 73.602 18.117 14.250 1.00 0.00 O ATOM 1712 CB PHE A 108 76.347 16.723 15.750 1.00 0.00 C ATOM 1713 CG PHE A 108 76.167 17.867 16.721 1.00 0.00 C ATOM 1714 CD1 PHE A 108 75.649 17.622 18.016 1.00 0.00 C ATOM 1715 CD2 PHE A 108 76.516 19.185 16.335 1.00 0.00 C ATOM 1716 CE1 PHE A 108 75.480 18.695 18.926 1.00 0.00 C ATOM 1717 CE2 PHE A 108 76.348 20.257 17.246 1.00 0.00 C ATOM 1718 CZ PHE A 108 75.830 20.012 18.541 1.00 0.00 C ATOM 0 H PHE A 108 76.425 14.969 14.091 1.00 0.00 H new ATOM 0 HA PHE A 108 74.236 16.169 15.649 1.00 0.00 H new ATOM 0 HB2 PHE A 108 76.688 15.844 16.296 1.00 0.00 H new ATOM 0 HB3 PHE A 108 77.132 16.981 15.039 1.00 0.00 H new ATOM 0 HD1 PHE A 108 75.383 16.617 18.310 1.00 0.00 H new ATOM 0 HD2 PHE A 108 76.910 19.372 15.347 1.00 0.00 H new ATOM 0 HE1 PHE A 108 75.084 18.508 19.913 1.00 0.00 H new ATOM 0 HE2 PHE A 108 76.615 21.261 16.953 1.00 0.00 H new ATOM 0 HZ PHE A 108 75.702 20.830 19.235 1.00 0.00 H new ATOM 1728 N ASP A 109 75.472 17.860 13.102 1.00 0.00 N ATOM 1729 CA ASP A 109 75.145 19.003 12.189 1.00 0.00 C ATOM 1730 C ASP A 109 73.933 18.661 11.317 1.00 0.00 C ATOM 1731 O ASP A 109 73.099 19.506 11.043 1.00 0.00 O ATOM 1732 CB ASP A 109 76.389 19.200 11.317 1.00 0.00 C ATOM 1733 CG ASP A 109 77.562 19.664 12.187 1.00 0.00 C ATOM 1734 OD1 ASP A 109 78.659 19.173 11.976 1.00 0.00 O ATOM 1735 OD2 ASP A 109 77.344 20.502 13.046 1.00 0.00 O ATOM 0 H ASP A 109 76.353 17.387 12.902 1.00 0.00 H new ATOM 0 HA ASP A 109 74.893 19.905 12.746 1.00 0.00 H new ATOM 0 HB2 ASP A 109 76.644 18.267 10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 109 76.187 19.937 10.539 1.00 0.00 H new ATOM 1740 N LYS A 110 73.831 17.428 10.881 1.00 0.00 N ATOM 1741 CA LYS A 110 72.698 17.030 9.992 1.00 0.00 C ATOM 1742 C LYS A 110 71.625 16.287 10.794 1.00 0.00 C ATOM 1743 O LYS A 110 71.926 15.545 11.710 1.00 0.00 O ATOM 1744 CB LYS A 110 73.321 16.102 8.946 1.00 0.00 C ATOM 1745 CG LYS A 110 74.273 16.903 8.053 1.00 0.00 C ATOM 1746 CD LYS A 110 74.799 16.004 6.933 1.00 0.00 C ATOM 1747 CE LYS A 110 75.834 16.771 6.106 1.00 0.00 C ATOM 1748 NZ LYS A 110 76.315 15.794 5.090 1.00 0.00 N ATOM 0 H LYS A 110 74.487 16.679 11.104 1.00 0.00 H new ATOM 0 HA LYS A 110 72.212 17.893 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 110 73.861 15.293 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 110 72.539 15.642 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 110 73.754 17.763 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 110 75.103 17.290 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 110 75.249 15.105 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 110 73.976 15.680 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 110 75.391 17.647 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 110 76.653 17.127 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 77.029 16.247 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 76.738 14.974 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 75.515 15.478 4.506 1.00 0.00 H new ATOM 1762 N LYS A 111 70.375 16.488 10.451 1.00 0.00 N ATOM 1763 CA LYS A 111 69.268 15.782 11.165 1.00 0.00 C ATOM 1764 C LYS A 111 68.328 15.122 10.151 1.00 0.00 C ATOM 1765 O LYS A 111 67.997 15.704 9.135 1.00 0.00 O ATOM 1766 CB LYS A 111 68.537 16.877 11.944 1.00 0.00 C ATOM 1767 CG LYS A 111 67.529 16.239 12.901 1.00 0.00 C ATOM 1768 CD LYS A 111 66.772 17.337 13.653 1.00 0.00 C ATOM 1769 CE LYS A 111 65.886 16.703 14.727 1.00 0.00 C ATOM 1770 NZ LYS A 111 64.804 17.697 14.969 1.00 0.00 N ATOM 0 H LYS A 111 70.074 17.114 9.704 1.00 0.00 H new ATOM 0 HA LYS A 111 69.633 14.993 11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 111 69.253 17.480 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 111 68.025 17.548 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 111 66.829 15.615 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 111 68.044 15.588 13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 111 67.477 18.031 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 111 66.162 17.914 12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 111 65.478 15.750 14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 111 66.451 16.504 15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 64.154 17.333 15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 65.221 18.592 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 64.279 17.861 14.086 1.00 0.00 H new ATOM 1784 N GLN A 112 67.895 13.909 10.424 1.00 0.00 N ATOM 1785 CA GLN A 112 66.998 13.164 9.470 1.00 0.00 C ATOM 1786 C GLN A 112 67.601 13.142 8.057 1.00 0.00 C ATOM 1787 O GLN A 112 67.344 14.018 7.250 1.00 0.00 O ATOM 1788 CB GLN A 112 65.664 13.919 9.480 1.00 0.00 C ATOM 1789 CG GLN A 112 65.002 13.770 10.851 1.00 0.00 C ATOM 1790 CD GLN A 112 63.716 14.599 10.895 1.00 0.00 C ATOM 1791 OE1 GLN A 112 63.640 15.660 10.307 1.00 0.00 O ATOM 1792 NE2 GLN A 112 62.693 14.157 11.576 1.00 0.00 N ATOM 0 H GLN A 112 68.127 13.397 11.275 1.00 0.00 H new ATOM 0 HA GLN A 112 66.872 12.124 9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 112 65.829 14.973 9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 112 65.007 13.528 8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 112 64.777 12.721 11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 112 65.686 14.099 11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 112 62.755 13.267 12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 112 61.832 14.702 11.614 1.00 0.00 H new ATOM 1801 N VAL A 113 68.399 12.145 7.759 1.00 0.00 N ATOM 1802 CA VAL A 113 69.060 12.074 6.417 1.00 0.00 C ATOM 1803 C VAL A 113 68.449 10.931 5.596 1.00 0.00 C ATOM 1804 O VAL A 113 68.211 9.851 6.104 1.00 0.00 O ATOM 1805 CB VAL A 113 70.546 11.804 6.709 1.00 0.00 C ATOM 1806 CG1 VAL A 113 71.333 11.744 5.396 1.00 0.00 C ATOM 1807 CG2 VAL A 113 71.117 12.929 7.579 1.00 0.00 C ATOM 0 H VAL A 113 68.622 11.375 8.389 1.00 0.00 H new ATOM 0 HA VAL A 113 68.928 12.989 5.840 1.00 0.00 H new ATOM 0 HB VAL A 113 70.633 10.852 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 113 72.384 11.553 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 113 70.938 10.943 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 113 71.237 12.694 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 113 72.170 12.733 7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 113 71.020 13.880 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 113 70.568 12.976 8.519 1.00 0.00 H new ATOM 1817 N PHE A 114 68.195 11.169 4.332 1.00 0.00 N ATOM 1818 CA PHE A 114 67.619 10.102 3.458 1.00 0.00 C ATOM 1819 C PHE A 114 68.691 9.572 2.500 1.00 0.00 C ATOM 1820 O PHE A 114 69.450 10.332 1.928 1.00 0.00 O ATOM 1821 CB PHE A 114 66.497 10.789 2.680 1.00 0.00 C ATOM 1822 CG PHE A 114 65.390 11.321 3.559 1.00 0.00 C ATOM 1823 CD1 PHE A 114 65.393 12.680 3.957 1.00 0.00 C ATOM 1824 CD2 PHE A 114 64.349 10.460 3.986 1.00 0.00 C ATOM 1825 CE1 PHE A 114 64.355 13.179 4.782 1.00 0.00 C ATOM 1826 CE2 PHE A 114 63.311 10.959 4.811 1.00 0.00 C ATOM 1827 CZ PHE A 114 63.314 12.318 5.208 1.00 0.00 C ATOM 0 H PHE A 114 68.363 12.061 3.867 1.00 0.00 H new ATOM 0 HA PHE A 114 67.253 9.250 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 114 66.918 11.612 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 114 66.075 10.081 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 114 66.187 13.336 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 114 64.347 9.423 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 114 64.357 14.215 5.086 1.00 0.00 H new ATOM 0 HE2 PHE A 114 62.518 10.303 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 114 62.522 12.698 5.836 1.00 0.00 H new ATOM 1837 N ALA A 115 68.754 8.274 2.324 1.00 0.00 N ATOM 1838 CA ALA A 115 69.788 7.682 1.422 1.00 0.00 C ATOM 1839 C ALA A 115 69.354 6.289 0.955 1.00 0.00 C ATOM 1840 O ALA A 115 69.456 5.960 -0.213 1.00 0.00 O ATOM 1841 CB ALA A 115 71.052 7.590 2.277 1.00 0.00 C ATOM 0 H ALA A 115 68.132 7.599 2.768 1.00 0.00 H new ATOM 0 HA ALA A 115 69.943 8.281 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 115 71.862 7.163 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 115 71.336 8.587 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 115 70.861 6.954 3.142 1.00 0.00 H new ATOM 1847 N GLU A 116 68.870 5.472 1.860 1.00 0.00 N ATOM 1848 CA GLU A 116 68.431 4.088 1.480 1.00 0.00 C ATOM 1849 C GLU A 116 67.237 4.149 0.521 1.00 0.00 C ATOM 1850 O GLU A 116 67.084 3.306 -0.344 1.00 0.00 O ATOM 1851 CB GLU A 116 68.023 3.412 2.793 1.00 0.00 C ATOM 1852 CG GLU A 116 69.256 3.232 3.682 1.00 0.00 C ATOM 1853 CD GLU A 116 68.860 2.490 4.960 1.00 0.00 C ATOM 1854 OE1 GLU A 116 68.255 3.111 5.819 1.00 0.00 O ATOM 1855 OE2 GLU A 116 69.169 1.315 5.058 1.00 0.00 O ATOM 0 H GLU A 116 68.759 5.703 2.847 1.00 0.00 H new ATOM 0 HA GLU A 116 69.223 3.540 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 116 67.276 4.016 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 116 67.565 2.444 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 116 70.024 2.673 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 116 69.683 4.204 3.930 1.00 0.00 H new ATOM 1862 N PHE A 117 66.394 5.144 0.671 1.00 0.00 N ATOM 1863 CA PHE A 117 65.204 5.271 -0.224 1.00 0.00 C ATOM 1864 C PHE A 117 65.420 6.404 -1.232 1.00 0.00 C ATOM 1865 O PHE A 117 65.767 7.511 -0.864 1.00 0.00 O ATOM 1866 CB PHE A 117 64.041 5.600 0.712 1.00 0.00 C ATOM 1867 CG PHE A 117 63.752 4.512 1.720 1.00 0.00 C ATOM 1868 CD1 PHE A 117 64.381 4.538 2.989 1.00 0.00 C ATOM 1869 CD2 PHE A 117 62.852 3.468 1.398 1.00 0.00 C ATOM 1870 CE1 PHE A 117 64.111 3.519 3.934 1.00 0.00 C ATOM 1871 CE2 PHE A 117 62.581 2.449 2.344 1.00 0.00 C ATOM 1872 CZ PHE A 117 63.211 2.475 3.612 1.00 0.00 C ATOM 0 H PHE A 117 66.481 5.875 1.377 1.00 0.00 H new ATOM 0 HA PHE A 117 65.020 4.364 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 117 64.263 6.526 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 117 63.146 5.780 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 117 65.067 5.335 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 117 62.372 3.448 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 117 64.592 3.538 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 117 61.894 1.653 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 117 63.005 1.698 4.333 1.00 0.00 H new ATOM 1882 N ARG A 118 65.217 6.132 -2.498 1.00 0.00 N ATOM 1883 CA ARG A 118 65.393 7.190 -3.539 1.00 0.00 C ATOM 1884 C ARG A 118 64.042 7.834 -3.869 1.00 0.00 C ATOM 1885 O ARG A 118 63.841 9.015 -3.647 1.00 0.00 O ATOM 1886 CB ARG A 118 65.960 6.460 -4.759 1.00 0.00 C ATOM 1887 CG ARG A 118 66.363 7.478 -5.829 1.00 0.00 C ATOM 1888 CD ARG A 118 67.667 8.168 -5.416 1.00 0.00 C ATOM 1889 NE ARG A 118 67.915 9.210 -6.465 1.00 0.00 N ATOM 1890 CZ ARG A 118 69.103 9.764 -6.617 1.00 0.00 C ATOM 1891 NH1 ARG A 118 70.122 9.434 -5.855 1.00 0.00 N ATOM 1892 NH2 ARG A 118 69.271 10.664 -7.547 1.00 0.00 N ATOM 0 H ARG A 118 64.936 5.219 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 118 66.053 7.992 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 118 66.824 5.863 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 118 65.217 5.771 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 118 66.492 6.979 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 118 65.573 8.218 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 118 67.577 8.619 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 118 68.490 7.455 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 118 67.149 9.497 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 118 70.006 8.733 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 118 71.029 9.879 -5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 118 68.489 10.931 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 118 70.184 11.100 -7.675 1.00 0.00 H new ATOM 1906 N GLU A 119 63.119 7.066 -4.397 1.00 0.00 N ATOM 1907 CA GLU A 119 61.771 7.620 -4.734 1.00 0.00 C ATOM 1908 C GLU A 119 60.710 7.053 -3.783 1.00 0.00 C ATOM 1909 O GLU A 119 59.560 6.894 -4.152 1.00 0.00 O ATOM 1910 CB GLU A 119 61.505 7.166 -6.170 1.00 0.00 C ATOM 1911 CG GLU A 119 60.402 8.030 -6.787 1.00 0.00 C ATOM 1912 CD GLU A 119 60.936 9.440 -7.060 1.00 0.00 C ATOM 1913 OE1 GLU A 119 60.182 10.381 -6.879 1.00 0.00 O ATOM 1914 OE2 GLU A 119 62.087 9.555 -7.451 1.00 0.00 O ATOM 0 H GLU A 119 63.243 6.076 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 119 61.734 8.705 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 119 62.417 7.246 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 119 61.208 6.117 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 119 60.051 7.579 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 119 59.547 8.080 -6.113 1.00 0.00 H new ATOM 1921 N LYS A 120 61.089 6.747 -2.565 1.00 0.00 N ATOM 1922 CA LYS A 120 60.115 6.171 -1.587 1.00 0.00 C ATOM 1923 C LYS A 120 60.073 7.025 -0.317 1.00 0.00 C ATOM 1924 O LYS A 120 61.081 7.545 0.122 1.00 0.00 O ATOM 1925 CB LYS A 120 60.647 4.771 -1.275 1.00 0.00 C ATOM 1926 CG LYS A 120 60.538 3.891 -2.522 1.00 0.00 C ATOM 1927 CD LYS A 120 60.898 2.448 -2.163 1.00 0.00 C ATOM 1928 CE LYS A 120 62.410 2.330 -1.959 1.00 0.00 C ATOM 1929 NZ LYS A 120 62.582 1.226 -0.975 1.00 0.00 N ATOM 0 H LYS A 120 62.035 6.872 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 120 59.100 6.142 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 120 61.685 4.830 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 120 60.080 4.330 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 120 59.526 3.935 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 120 61.206 4.261 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 120 60.374 2.147 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 120 60.574 1.774 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 120 62.918 2.105 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 120 62.831 3.262 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 63.456 0.704 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 62.641 1.622 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 61.769 0.580 -1.033 1.00 0.00 H new ATOM 1943 N ASP A 121 58.906 7.171 0.276 1.00 0.00 N ATOM 1944 CA ASP A 121 58.761 7.993 1.529 1.00 0.00 C ATOM 1945 C ASP A 121 59.361 9.394 1.343 1.00 0.00 C ATOM 1946 O ASP A 121 59.621 9.757 0.207 1.00 0.00 O ATOM 1947 CB ASP A 121 59.520 7.224 2.619 1.00 0.00 C ATOM 1948 CG ASP A 121 58.825 5.886 2.887 1.00 0.00 C ATOM 1949 OD1 ASP A 121 57.606 5.872 2.938 1.00 0.00 O ATOM 1950 OD2 ASP A 121 59.525 4.899 3.036 1.00 0.00 O ATOM 1951 OXT ASP A 121 59.547 10.075 2.337 1.00 0.00 O ATOM 0 H ASP A 121 58.038 6.751 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 121 57.712 8.137 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 121 60.550 7.053 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 121 59.558 7.815 3.534 1.00 0.00 H new TER 1956 ASP A 121