USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1009 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 98 HIS : no HD1:sc= -2.3 K(o=-2.4,f=-4.9!) USER MOD Set 1.2: A 100 MET CE :methyl -171:sc= -0.0171 (180deg=-0.169) USER MOD Set 1.3: A 112 MET CE :methyl 134:sc= -0.0388 (180deg=-0.0362) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.167 K(o=0.34,f=-2.3) USER MOD Set 2.2: A 69 LYS NZ :NH3+ -161:sc= 0.176 (180deg=0) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0849 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0775) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc=-0.00183 (180deg=-0.115) USER MOD Single : A 13 SER OG : rot 78:sc= 1.23 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.62 F(o=-3.7!,f=-1.6) USER MOD Single : A 23 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.6!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= -0.0642 (180deg=-0.663) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 0.658 (180deg=0.279) USER MOD Single : A 44 THR OG1 : rot 73:sc= 0.641 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 3:sc= 0.333 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0119 (180deg=-0.143) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.248 F(o=-0.8,f=-0.25) USER MOD Single : A 77 THR OG1 : rot -174:sc= -0.239 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= 0.563 (180deg=0.416) USER MOD Single : A 81 GLN : amide:sc= 0.386 K(o=0.39,f=-0.15) USER MOD Single : A 84 MET CE :methyl 159:sc= -0.33 (180deg=-1.81) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.545 (180deg=0.504) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= -0.499 (180deg=-1.62!) USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= -0.261 (180deg=-1.99!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -25:sc= 0.393 USER MOD Single : A 107 MET CE :methyl -162:sc= 0 (180deg=-0.132) USER MOD Single : A 113 THR OG1 : rot -160:sc= -0.37 USER MOD Single : A 116 SER OG : rot 15:sc= -0.175 USER MOD Single : A 117 LYS NZ :NH3+ 146:sc= -1.3 (180deg=-2.97!) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.128 -1.699 -5.143 1.00 0.00 N ATOM 2 CA MET A 1 -14.679 -1.539 -3.788 1.00 0.00 C ATOM 3 C MET A 1 -14.314 -0.144 -3.245 1.00 0.00 C ATOM 4 O MET A 1 -15.183 0.728 -3.137 1.00 0.00 O ATOM 5 CB MET A 1 -14.146 -2.662 -2.863 1.00 0.00 C ATOM 6 CG MET A 1 -14.737 -2.654 -1.449 1.00 0.00 C ATOM 7 SD MET A 1 -16.530 -2.896 -1.431 1.00 0.00 S ATOM 8 CE MET A 1 -16.694 -4.527 -2.163 1.00 0.00 C ATOM 0 H1 MET A 1 -14.375 -2.641 -5.509 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.526 -0.969 -5.768 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.093 -1.600 -5.111 1.00 0.00 H new ATOM 0 HA MET A 1 -15.765 -1.621 -3.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.356 -3.626 -3.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.062 -2.572 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.264 -3.439 -0.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.499 -1.706 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.690 -4.919 -1.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.545 -4.459 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.946 -5.195 -1.735 1.00 0.00 H new ATOM 18 N LYS A 2 -12.999 0.050 -2.957 1.00 0.00 N ATOM 19 CA LYS A 2 -12.434 1.276 -2.342 1.00 0.00 C ATOM 20 C LYS A 2 -12.978 1.492 -0.909 1.00 0.00 C ATOM 21 O LYS A 2 -14.134 1.902 -0.726 1.00 0.00 O ATOM 22 CB LYS A 2 -12.654 2.535 -3.234 1.00 0.00 C ATOM 23 CG LYS A 2 -12.014 2.449 -4.639 1.00 0.00 C ATOM 24 CD LYS A 2 -10.496 2.158 -4.587 1.00 0.00 C ATOM 25 CE LYS A 2 -9.845 2.147 -5.980 1.00 0.00 C ATOM 26 NZ LYS A 2 -9.909 3.472 -6.645 1.00 0.00 N ATOM 0 H LYS A 2 -12.290 -0.657 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.357 1.127 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.725 2.701 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.249 3.405 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.510 1.666 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.182 3.387 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.007 2.910 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.331 1.194 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.803 1.839 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.343 1.406 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.342 3.451 -7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.897 3.695 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.532 4.200 -6.005 1.00 0.00 H new ATOM 40 N GLU A 3 -12.133 1.203 0.096 1.00 0.00 N ATOM 41 CA GLU A 3 -12.488 1.302 1.528 1.00 0.00 C ATOM 42 C GLU A 3 -11.789 2.501 2.193 1.00 0.00 C ATOM 43 O GLU A 3 -11.107 3.292 1.534 1.00 0.00 O ATOM 44 CB GLU A 3 -12.087 -0.025 2.238 1.00 0.00 C ATOM 45 CG GLU A 3 -12.841 -1.277 1.746 1.00 0.00 C ATOM 46 CD GLU A 3 -14.333 -1.293 2.135 1.00 0.00 C ATOM 47 OE1 GLU A 3 -15.161 -0.685 1.429 1.00 0.00 O ATOM 48 OE2 GLU A 3 -14.684 -1.922 3.155 1.00 0.00 O ATOM 0 H GLU A 3 -11.175 0.891 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.563 1.460 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.018 -0.185 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.257 0.087 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.757 -1.338 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.358 -2.165 2.154 1.00 0.00 H new ATOM 55 N VAL A 4 -11.955 2.612 3.523 1.00 0.00 N ATOM 56 CA VAL A 4 -11.280 3.632 4.352 1.00 0.00 C ATOM 57 C VAL A 4 -9.880 3.137 4.815 1.00 0.00 C ATOM 58 O VAL A 4 -9.333 3.666 5.764 1.00 0.00 O ATOM 59 CB VAL A 4 -12.178 4.032 5.588 1.00 0.00 C ATOM 60 CG1 VAL A 4 -13.484 4.711 5.128 1.00 0.00 C ATOM 61 CG2 VAL A 4 -12.486 2.813 6.488 1.00 0.00 C ATOM 0 H VAL A 4 -12.565 1.994 4.058 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.132 4.522 3.740 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.610 4.748 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.083 4.976 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.246 5.613 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.047 4.025 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.106 3.128 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.017 2.058 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.553 2.393 6.863 1.00 0.00 H new ATOM 71 N GLU A 5 -9.332 2.110 4.132 1.00 0.00 N ATOM 72 CA GLU A 5 -7.949 1.587 4.359 1.00 0.00 C ATOM 73 C GLU A 5 -6.898 2.729 4.443 1.00 0.00 C ATOM 74 O GLU A 5 -6.069 2.769 5.353 1.00 0.00 O ATOM 75 CB GLU A 5 -7.574 0.572 3.218 1.00 0.00 C ATOM 76 CG GLU A 5 -7.137 -0.824 3.696 1.00 0.00 C ATOM 77 CD GLU A 5 -8.245 -1.540 4.485 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.199 -2.050 3.855 1.00 0.00 O ATOM 79 OE2 GLU A 5 -8.188 -1.562 5.733 1.00 0.00 O ATOM 0 H GLU A 5 -9.834 1.609 3.399 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.937 1.074 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.434 0.459 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.769 1.002 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.857 -1.430 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.250 -0.731 4.322 1.00 0.00 H new ATOM 86 N LYS A 6 -6.928 3.585 3.413 1.00 0.00 N ATOM 87 CA LYS A 6 -6.094 4.823 3.376 1.00 0.00 C ATOM 88 C LYS A 6 -6.228 5.663 4.687 1.00 0.00 C ATOM 89 O LYS A 6 -5.246 6.209 5.191 1.00 0.00 O ATOM 90 CB LYS A 6 -6.498 5.713 2.174 1.00 0.00 C ATOM 91 CG LYS A 6 -6.484 4.992 0.812 1.00 0.00 C ATOM 92 CD LYS A 6 -6.793 5.951 -0.356 1.00 0.00 C ATOM 93 CE LYS A 6 -8.159 6.649 -0.226 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.324 7.717 -1.238 1.00 0.00 N ATOM 0 H LYS A 6 -7.515 3.455 2.589 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.058 4.499 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.498 6.109 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.821 6.566 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.508 4.533 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.217 4.185 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.010 6.707 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.765 5.393 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.956 5.914 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.257 7.075 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.255 8.165 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.578 8.431 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.255 7.306 -2.191 1.00 0.00 H new ATOM 108 N ASN A 7 -7.472 5.731 5.196 1.00 0.00 N ATOM 109 CA ASN A 7 -7.794 6.474 6.444 1.00 0.00 C ATOM 110 C ASN A 7 -7.217 5.748 7.693 1.00 0.00 C ATOM 111 O ASN A 7 -6.884 6.399 8.684 1.00 0.00 O ATOM 112 CB ASN A 7 -9.330 6.626 6.570 1.00 0.00 C ATOM 113 CG ASN A 7 -9.809 7.502 7.728 1.00 0.00 C ATOM 114 OD1 ASN A 7 -9.137 8.454 8.135 1.00 0.00 O ATOM 115 ND2 ASN A 7 -10.981 7.184 8.261 1.00 0.00 N ATOM 0 H ASN A 7 -8.279 5.280 4.765 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.334 7.461 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.715 7.042 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.768 5.634 6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.356 7.734 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.508 6.390 7.898 1.00 0.00 H new ATOM 122 N GLU A 8 -7.139 4.396 7.625 1.00 0.00 N ATOM 123 CA GLU A 8 -6.440 3.578 8.650 1.00 0.00 C ATOM 124 C GLU A 8 -4.932 3.898 8.685 1.00 0.00 C ATOM 125 O GLU A 8 -4.363 4.088 9.772 1.00 0.00 O ATOM 126 CB GLU A 8 -6.648 2.040 8.430 1.00 0.00 C ATOM 127 CG GLU A 8 -7.930 1.436 9.035 1.00 0.00 C ATOM 128 CD GLU A 8 -9.223 1.859 8.328 1.00 0.00 C ATOM 129 OE1 GLU A 8 -9.807 2.913 8.685 1.00 0.00 O ATOM 130 OE2 GLU A 8 -9.679 1.121 7.427 1.00 0.00 O ATOM 0 H GLU A 8 -7.552 3.848 6.870 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.885 3.843 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.649 1.844 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.790 1.514 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.854 0.349 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.993 1.724 10.084 1.00 0.00 H new ATOM 137 N ILE A 9 -4.278 3.923 7.505 1.00 0.00 N ATOM 138 CA ILE A 9 -2.844 4.263 7.392 1.00 0.00 C ATOM 139 C ILE A 9 -2.579 5.703 7.879 1.00 0.00 C ATOM 140 O ILE A 9 -1.610 5.951 8.584 1.00 0.00 O ATOM 141 CB ILE A 9 -2.329 4.062 5.907 1.00 0.00 C ATOM 142 CG1 ILE A 9 -2.536 2.570 5.442 1.00 0.00 C ATOM 143 CG2 ILE A 9 -0.845 4.503 5.744 1.00 0.00 C ATOM 144 CD1 ILE A 9 -1.788 1.517 6.267 1.00 0.00 C ATOM 0 H ILE A 9 -4.723 3.710 6.612 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.285 3.583 8.035 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.926 4.706 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.601 2.342 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.221 2.484 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.531 4.349 4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.749 5.558 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.214 3.911 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.997 0.525 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.716 1.710 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.118 1.566 7.305 1.00 0.00 H new ATOM 156 N LYS A 10 -3.484 6.623 7.519 1.00 0.00 N ATOM 157 CA LYS A 10 -3.426 8.045 7.935 1.00 0.00 C ATOM 158 C LYS A 10 -3.498 8.127 9.478 1.00 0.00 C ATOM 159 O LYS A 10 -2.768 8.891 10.106 1.00 0.00 O ATOM 160 CB LYS A 10 -4.603 8.816 7.244 1.00 0.00 C ATOM 161 CG LYS A 10 -4.567 10.372 7.301 1.00 0.00 C ATOM 162 CD LYS A 10 -4.984 10.978 8.663 1.00 0.00 C ATOM 163 CE LYS A 10 -5.082 12.515 8.636 1.00 0.00 C ATOM 164 NZ LYS A 10 -6.161 12.989 7.732 1.00 0.00 N ATOM 0 H LYS A 10 -4.286 6.407 6.927 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.489 8.509 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.633 8.517 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.537 8.483 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.558 10.708 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.225 10.766 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.948 10.564 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.262 10.679 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.266 12.884 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.129 12.933 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.318 14.006 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.883 12.823 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.039 12.470 7.937 1.00 0.00 H new ATOM 178 N ARG A 11 -4.430 7.341 10.032 1.00 0.00 N ATOM 179 CA ARG A 11 -4.641 7.200 11.485 1.00 0.00 C ATOM 180 C ARG A 11 -3.337 6.826 12.242 1.00 0.00 C ATOM 181 O ARG A 11 -2.928 7.556 13.149 1.00 0.00 O ATOM 182 CB ARG A 11 -5.766 6.166 11.746 1.00 0.00 C ATOM 183 CG ARG A 11 -6.135 5.949 13.230 1.00 0.00 C ATOM 184 CD ARG A 11 -7.365 5.037 13.407 1.00 0.00 C ATOM 185 NE ARG A 11 -8.550 5.556 12.676 1.00 0.00 N ATOM 186 CZ ARG A 11 -9.183 4.922 11.673 1.00 0.00 C ATOM 187 NH1 ARG A 11 -8.810 3.712 11.310 1.00 0.00 N ATOM 188 NH2 ARG A 11 -10.198 5.497 11.056 1.00 0.00 N ATOM 0 H ARG A 11 -5.071 6.774 9.477 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.947 8.169 11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.660 6.484 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.463 5.209 11.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.284 5.511 13.752 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.333 6.914 13.696 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.128 4.035 13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.602 4.949 14.467 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.913 6.467 12.958 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.037 3.251 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.294 3.236 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.506 6.427 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.674 5.011 10.296 1.00 0.00 H new ATOM 202 N LEU A 12 -2.690 5.701 11.858 1.00 0.00 N ATOM 203 CA LEU A 12 -1.448 5.227 12.532 1.00 0.00 C ATOM 204 C LEU A 12 -0.247 6.188 12.303 1.00 0.00 C ATOM 205 O LEU A 12 0.601 6.336 13.187 1.00 0.00 O ATOM 206 CB LEU A 12 -1.123 3.754 12.125 1.00 0.00 C ATOM 207 CG LEU A 12 -0.969 3.436 10.589 1.00 0.00 C ATOM 208 CD1 LEU A 12 0.483 3.631 10.078 1.00 0.00 C ATOM 209 CD2 LEU A 12 -1.503 2.026 10.242 1.00 0.00 C ATOM 0 H LEU A 12 -3.001 5.105 11.091 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.632 5.236 13.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.197 3.465 12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.911 3.114 12.523 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.585 4.166 10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.529 3.398 9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.789 4.665 10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.153 2.967 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.380 1.843 9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.946 1.277 10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.560 1.963 10.501 1.00 0.00 H new ATOM 221 N SER A 13 -0.157 6.764 11.088 1.00 0.00 N ATOM 222 CA SER A 13 0.772 7.885 10.788 1.00 0.00 C ATOM 223 C SER A 13 0.646 9.033 11.817 1.00 0.00 C ATOM 224 O SER A 13 1.645 9.476 12.380 1.00 0.00 O ATOM 225 CB SER A 13 0.521 8.420 9.363 1.00 0.00 C ATOM 226 OG SER A 13 0.718 7.408 8.396 1.00 0.00 O ATOM 0 H SER A 13 -0.719 6.472 10.289 1.00 0.00 H new ATOM 0 HA SER A 13 1.787 7.494 10.854 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.497 8.804 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.192 9.255 9.162 1.00 0.00 H new ATOM 0 HG SER A 13 -0.064 6.817 8.377 1.00 0.00 H new ATOM 232 N ASP A 14 -0.599 9.506 12.006 1.00 0.00 N ATOM 233 CA ASP A 14 -0.930 10.574 12.996 1.00 0.00 C ATOM 234 C ASP A 14 -0.536 10.133 14.437 1.00 0.00 C ATOM 235 O ASP A 14 -0.108 10.945 15.249 1.00 0.00 O ATOM 236 CB ASP A 14 -2.456 10.910 12.926 1.00 0.00 C ATOM 237 CG ASP A 14 -2.867 12.188 13.705 1.00 0.00 C ATOM 238 OD1 ASP A 14 -2.852 12.183 14.953 1.00 0.00 O ATOM 239 OD2 ASP A 14 -3.255 13.196 13.068 1.00 0.00 O ATOM 0 H ASP A 14 -1.408 9.168 11.485 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.358 11.468 12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.742 11.028 11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.020 10.063 13.317 1.00 0.00 H new ATOM 244 N ARG A 15 -0.739 8.831 14.705 1.00 0.00 N ATOM 245 CA ARG A 15 -0.380 8.202 16.001 1.00 0.00 C ATOM 246 C ARG A 15 1.134 8.348 16.311 1.00 0.00 C ATOM 247 O ARG A 15 1.516 8.906 17.352 1.00 0.00 O ATOM 248 CB ARG A 15 -0.823 6.712 16.030 1.00 0.00 C ATOM 249 CG ARG A 15 -0.601 5.980 17.375 1.00 0.00 C ATOM 250 CD ARG A 15 -1.213 6.739 18.572 1.00 0.00 C ATOM 251 NE ARG A 15 -2.638 7.074 18.370 1.00 0.00 N ATOM 252 CZ ARG A 15 -3.382 7.824 19.203 1.00 0.00 C ATOM 253 NH1 ARG A 15 -2.889 8.281 20.347 1.00 0.00 N ATOM 254 NH2 ARG A 15 -4.628 8.118 18.877 1.00 0.00 N ATOM 0 H ARG A 15 -1.154 8.182 14.036 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.919 8.731 16.787 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.882 6.660 15.778 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.283 6.175 15.250 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.039 4.984 17.319 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.468 5.849 17.541 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.111 6.132 19.472 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.649 7.656 18.741 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.093 6.708 17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.927 8.065 20.610 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.472 8.848 20.963 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.020 7.777 17.999 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.199 8.686 19.503 1.00 0.00 H new ATOM 268 N LEU A 16 1.983 7.876 15.377 1.00 0.00 N ATOM 269 CA LEU A 16 3.452 7.955 15.534 1.00 0.00 C ATOM 270 C LEU A 16 3.906 9.430 15.508 1.00 0.00 C ATOM 271 O LEU A 16 4.810 9.804 16.240 1.00 0.00 O ATOM 272 CB LEU A 16 4.152 7.095 14.422 1.00 0.00 C ATOM 273 CG LEU A 16 5.698 6.775 14.576 1.00 0.00 C ATOM 274 CD1 LEU A 16 6.614 7.958 14.170 1.00 0.00 C ATOM 275 CD2 LEU A 16 6.037 6.278 16.008 1.00 0.00 C ATOM 0 H LEU A 16 1.680 7.437 14.508 1.00 0.00 H new ATOM 0 HA LEU A 16 3.746 7.543 16.499 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.622 6.145 14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.012 7.607 13.470 1.00 0.00 H new ATOM 0 HG LEU A 16 5.905 5.969 13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.658 7.671 14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.435 8.215 13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.394 8.821 14.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.104 6.068 16.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.771 7.047 16.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.474 5.369 16.220 1.00 0.00 H new ATOM 287 N ASP A 17 3.283 10.224 14.624 1.00 0.00 N ATOM 288 CA ASP A 17 3.551 11.680 14.523 1.00 0.00 C ATOM 289 C ASP A 17 3.343 12.396 15.884 1.00 0.00 C ATOM 290 O ASP A 17 4.154 13.236 16.282 1.00 0.00 O ATOM 291 CB ASP A 17 2.674 12.325 13.425 1.00 0.00 C ATOM 292 CG ASP A 17 2.969 13.822 13.224 1.00 0.00 C ATOM 293 OD1 ASP A 17 4.104 14.153 12.816 1.00 0.00 O ATOM 294 OD2 ASP A 17 2.080 14.667 13.469 1.00 0.00 O ATOM 0 H ASP A 17 2.585 9.886 13.962 1.00 0.00 H new ATOM 0 HA ASP A 17 4.598 11.802 14.244 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.834 11.799 12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.623 12.199 13.686 1.00 0.00 H new ATOM 299 N ALA A 18 2.217 12.093 16.546 1.00 0.00 N ATOM 300 CA ALA A 18 1.936 12.496 17.934 1.00 0.00 C ATOM 301 C ALA A 18 3.020 12.012 18.924 1.00 0.00 C ATOM 302 O ALA A 18 3.351 12.730 19.867 1.00 0.00 O ATOM 303 CB ALA A 18 0.550 11.988 18.357 1.00 0.00 C ATOM 0 H ALA A 18 1.462 11.551 16.125 1.00 0.00 H new ATOM 0 HA ALA A 18 1.948 13.585 17.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.350 12.290 19.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.209 12.412 17.700 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.524 10.901 18.287 1.00 0.00 H new ATOM 309 N ILE A 19 3.566 10.799 18.692 1.00 0.00 N ATOM 310 CA ILE A 19 4.604 10.211 19.571 1.00 0.00 C ATOM 311 C ILE A 19 5.977 10.912 19.397 1.00 0.00 C ATOM 312 O ILE A 19 6.617 11.256 20.392 1.00 0.00 O ATOM 313 CB ILE A 19 4.714 8.636 19.431 1.00 0.00 C ATOM 314 CG1 ILE A 19 3.397 7.970 19.980 1.00 0.00 C ATOM 315 CG2 ILE A 19 5.972 8.064 20.149 1.00 0.00 C ATOM 316 CD1 ILE A 19 3.446 6.462 20.171 1.00 0.00 C ATOM 0 H ILE A 19 3.306 10.206 17.904 1.00 0.00 H new ATOM 0 HA ILE A 19 4.277 10.398 20.594 1.00 0.00 H new ATOM 0 HB ILE A 19 4.829 8.397 18.374 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.152 8.430 20.937 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.582 8.204 19.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.002 6.982 20.024 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.870 8.504 19.715 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.926 8.305 21.211 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.487 6.112 20.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.654 5.981 19.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.233 6.211 20.883 1.00 0.00 H new ATOM 328 N ARG A 20 6.450 11.143 18.156 1.00 0.00 N ATOM 329 CA ARG A 20 7.687 11.910 17.905 1.00 0.00 C ATOM 330 C ARG A 20 7.557 13.380 18.346 1.00 0.00 C ATOM 331 O ARG A 20 8.551 13.973 18.744 1.00 0.00 O ATOM 332 CB ARG A 20 8.124 11.821 16.413 1.00 0.00 C ATOM 333 CG ARG A 20 7.028 12.226 15.385 1.00 0.00 C ATOM 334 CD ARG A 20 7.533 13.116 14.235 1.00 0.00 C ATOM 335 NE ARG A 20 8.050 14.404 14.737 1.00 0.00 N ATOM 336 CZ ARG A 20 7.337 15.528 14.906 1.00 0.00 C ATOM 337 NH1 ARG A 20 6.049 15.588 14.572 1.00 0.00 N ATOM 338 NH2 ARG A 20 7.931 16.599 15.415 1.00 0.00 N ATOM 0 H ARG A 20 5.992 10.808 17.309 1.00 0.00 H new ATOM 0 HA ARG A 20 8.466 11.451 18.514 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.994 12.461 16.265 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.440 10.799 16.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.591 11.321 14.963 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.230 12.750 15.911 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.319 12.595 13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.721 13.298 13.530 1.00 0.00 H new ATOM 0 HE ARG A 20 9.040 14.443 14.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.585 14.769 14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.526 16.453 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.917 16.561 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.402 17.460 15.549 1.00 0.00 H new ATOM 352 N HIS A 21 6.346 13.973 18.261 1.00 0.00 N ATOM 353 CA HIS A 21 6.072 15.333 18.776 1.00 0.00 C ATOM 354 C HIS A 21 6.159 15.387 20.300 1.00 0.00 C ATOM 355 O HIS A 21 6.818 16.257 20.861 1.00 0.00 O ATOM 356 CB HIS A 21 4.657 15.775 18.335 1.00 0.00 C ATOM 357 CG HIS A 21 4.264 17.161 18.787 1.00 0.00 C ATOM 358 ND1 HIS A 21 3.509 17.404 19.916 1.00 0.00 N ATOM 359 CD2 HIS A 21 4.510 18.372 18.241 1.00 0.00 C ATOM 360 CE1 HIS A 21 3.307 18.698 20.037 1.00 0.00 C ATOM 361 NE2 HIS A 21 3.903 19.311 19.034 1.00 0.00 N ATOM 0 H HIS A 21 5.534 13.525 17.836 1.00 0.00 H new ATOM 0 HA HIS A 21 6.827 16.004 18.367 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.599 15.731 17.247 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.930 15.061 18.722 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.080 18.565 17.344 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.747 19.178 20.826 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.911 20.318 18.874 1.00 0.00 H new ATOM 370 N GLN A 22 5.466 14.437 20.935 1.00 0.00 N ATOM 371 CA GLN A 22 5.384 14.381 22.409 1.00 0.00 C ATOM 372 C GLN A 22 6.789 14.191 23.002 1.00 0.00 C ATOM 373 O GLN A 22 7.103 14.760 24.041 1.00 0.00 O ATOM 374 CB GLN A 22 4.386 13.297 22.924 1.00 0.00 C ATOM 375 CG GLN A 22 4.898 11.846 22.900 1.00 0.00 C ATOM 376 CD GLN A 22 3.901 10.816 23.413 1.00 0.00 C ATOM 377 OE1 GLN A 22 4.009 9.589 22.930 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 3.059 11.110 24.255 1.00 0.00 N flip ATOM 0 H GLN A 22 4.953 13.695 20.459 1.00 0.00 H new ATOM 0 HA GLN A 22 4.981 15.333 22.753 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.106 13.546 23.948 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.478 13.352 22.323 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.174 11.588 21.877 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.806 11.784 23.500 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.002 12.066 24.607 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.416 10.399 24.603 1.00 0.00 H new ATOM 387 N GLN A 23 7.646 13.432 22.294 1.00 0.00 N ATOM 388 CA GLN A 23 9.039 13.198 22.699 1.00 0.00 C ATOM 389 C GLN A 23 10.007 14.255 22.129 1.00 0.00 C ATOM 390 O GLN A 23 11.171 14.261 22.483 1.00 0.00 O ATOM 391 CB GLN A 23 9.467 11.794 22.251 1.00 0.00 C ATOM 392 CG GLN A 23 8.647 10.668 22.887 1.00 0.00 C ATOM 393 CD GLN A 23 9.195 9.287 22.563 1.00 0.00 C ATOM 394 OE1 GLN A 23 8.832 8.680 21.563 1.00 0.00 O ATOM 395 NE2 GLN A 23 10.054 8.769 23.424 1.00 0.00 N ATOM 0 H GLN A 23 7.389 12.965 21.425 1.00 0.00 H new ATOM 0 HA GLN A 23 9.087 13.280 23.785 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.381 11.726 21.167 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.519 11.649 22.497 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.630 10.803 23.968 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.616 10.735 22.541 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.335 9.302 24.247 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.436 7.836 23.265 1.00 0.00 H new ATOM 404 N ALA A 24 9.549 15.058 21.160 1.00 0.00 N ATOM 405 CA ALA A 24 10.244 16.320 20.793 1.00 0.00 C ATOM 406 C ALA A 24 10.242 17.288 21.989 1.00 0.00 C ATOM 407 O ALA A 24 11.284 17.837 22.366 1.00 0.00 O ATOM 408 CB ALA A 24 9.615 16.974 19.547 1.00 0.00 C ATOM 0 H ALA A 24 8.708 14.868 20.614 1.00 0.00 H new ATOM 0 HA ALA A 24 11.276 16.079 20.539 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.150 17.894 19.310 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.682 16.287 18.703 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.568 17.204 19.746 1.00 0.00 H new ATOM 414 N ASP A 25 9.042 17.486 22.557 1.00 0.00 N ATOM 415 CA ASP A 25 8.873 18.312 23.773 1.00 0.00 C ATOM 416 C ASP A 25 9.472 17.629 25.033 1.00 0.00 C ATOM 417 O ASP A 25 9.720 18.294 26.038 1.00 0.00 O ATOM 418 CB ASP A 25 7.372 18.614 23.988 1.00 0.00 C ATOM 419 CG ASP A 25 6.739 19.377 22.810 1.00 0.00 C ATOM 420 OD1 ASP A 25 6.903 20.612 22.730 1.00 0.00 O ATOM 421 OD2 ASP A 25 6.085 18.752 21.948 1.00 0.00 O ATOM 0 H ASP A 25 8.174 17.089 22.198 1.00 0.00 H new ATOM 0 HA ASP A 25 9.420 19.243 23.624 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.836 17.677 24.137 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.251 19.199 24.900 1.00 0.00 H new ATOM 426 N LEU A 26 9.698 16.298 24.955 1.00 0.00 N ATOM 427 CA LEU A 26 10.292 15.545 26.105 1.00 0.00 C ATOM 428 C LEU A 26 11.720 15.056 25.811 1.00 0.00 C ATOM 429 O LEU A 26 12.171 15.043 24.679 1.00 0.00 O ATOM 430 CB LEU A 26 9.404 14.354 26.555 1.00 0.00 C ATOM 431 CG LEU A 26 7.952 14.708 27.023 1.00 0.00 C ATOM 432 CD1 LEU A 26 7.257 13.492 27.660 1.00 0.00 C ATOM 433 CD2 LEU A 26 7.918 15.928 27.970 1.00 0.00 C ATOM 0 H LEU A 26 9.488 15.728 24.136 1.00 0.00 H new ATOM 0 HA LEU A 26 10.341 16.260 26.926 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.334 13.648 25.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.910 13.839 27.371 1.00 0.00 H new ATOM 0 HG LEU A 26 7.395 14.986 26.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.251 13.771 27.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.198 12.683 26.931 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.828 13.159 28.526 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.888 16.131 28.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.515 15.717 28.857 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.327 16.798 27.457 1.00 0.00 H new ATOM 445 N SER A 27 12.435 14.720 26.882 1.00 0.00 N ATOM 446 CA SER A 27 13.792 14.144 26.795 1.00 0.00 C ATOM 447 C SER A 27 13.991 13.097 27.902 1.00 0.00 C ATOM 448 O SER A 27 13.248 13.073 28.888 1.00 0.00 O ATOM 449 CB SER A 27 14.854 15.262 26.888 1.00 0.00 C ATOM 450 OG SER A 27 16.177 14.740 26.907 1.00 0.00 O ATOM 0 H SER A 27 12.098 14.836 27.838 1.00 0.00 H new ATOM 0 HA SER A 27 13.909 13.648 25.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.743 15.939 26.041 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.683 15.850 27.790 1.00 0.00 H new ATOM 0 HG SER A 27 16.819 15.478 26.965 1.00 0.00 H new ATOM 456 N LEU A 28 14.989 12.217 27.706 1.00 0.00 N ATOM 457 CA LEU A 28 15.354 11.167 28.685 1.00 0.00 C ATOM 458 C LEU A 28 15.947 11.772 29.973 1.00 0.00 C ATOM 459 O LEU A 28 15.824 11.186 31.052 1.00 0.00 O ATOM 460 CB LEU A 28 16.283 10.071 28.024 1.00 0.00 C ATOM 461 CG LEU A 28 17.785 10.392 27.634 1.00 0.00 C ATOM 462 CD1 LEU A 28 17.959 11.724 26.881 1.00 0.00 C ATOM 463 CD2 LEU A 28 18.731 10.291 28.844 1.00 0.00 C ATOM 0 H LEU A 28 15.568 12.210 26.866 1.00 0.00 H new ATOM 0 HA LEU A 28 14.442 10.654 28.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.306 9.221 28.706 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.783 9.737 27.115 1.00 0.00 H new ATOM 0 HG LEU A 28 18.072 9.614 26.926 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.013 11.875 26.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.383 11.697 25.956 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.604 12.544 27.505 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.749 10.519 28.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.420 11.002 29.609 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.695 9.280 29.251 1.00 0.00 H new ATOM 475 N VAL A 29 16.578 12.954 29.839 1.00 0.00 N ATOM 476 CA VAL A 29 17.234 13.654 30.963 1.00 0.00 C ATOM 477 C VAL A 29 16.178 14.289 31.896 1.00 0.00 C ATOM 478 O VAL A 29 16.296 14.203 33.123 1.00 0.00 O ATOM 479 CB VAL A 29 18.238 14.754 30.445 1.00 0.00 C ATOM 480 CG1 VAL A 29 18.988 15.444 31.611 1.00 0.00 C ATOM 481 CG2 VAL A 29 19.233 14.157 29.425 1.00 0.00 C ATOM 0 H VAL A 29 16.648 13.451 28.951 1.00 0.00 H new ATOM 0 HA VAL A 29 17.804 12.916 31.527 1.00 0.00 H new ATOM 0 HB VAL A 29 17.649 15.519 29.940 1.00 0.00 H new ATOM 0 HG11 VAL A 29 19.670 16.195 31.211 1.00 0.00 H new ATOM 0 HG12 VAL A 29 18.268 15.924 32.274 1.00 0.00 H new ATOM 0 HG13 VAL A 29 19.555 14.700 32.170 1.00 0.00 H new ATOM 0 HG21 VAL A 29 19.915 14.936 29.083 1.00 0.00 H new ATOM 0 HG22 VAL A 29 19.803 13.358 29.898 1.00 0.00 H new ATOM 0 HG23 VAL A 29 18.684 13.756 28.573 1.00 0.00 H new ATOM 491 N GLU A 30 15.146 14.911 31.296 1.00 0.00 N ATOM 492 CA GLU A 30 14.068 15.575 32.072 1.00 0.00 C ATOM 493 C GLU A 30 13.050 14.541 32.590 1.00 0.00 C ATOM 494 O GLU A 30 12.520 14.675 33.695 1.00 0.00 O ATOM 495 CB GLU A 30 13.344 16.661 31.214 1.00 0.00 C ATOM 496 CG GLU A 30 12.623 16.109 29.970 1.00 0.00 C ATOM 497 CD GLU A 30 11.922 17.176 29.120 1.00 0.00 C ATOM 498 OE1 GLU A 30 12.559 17.735 28.206 1.00 0.00 O ATOM 499 OE2 GLU A 30 10.728 17.450 29.358 1.00 0.00 O ATOM 0 H GLU A 30 15.031 14.971 30.284 1.00 0.00 H new ATOM 0 HA GLU A 30 14.531 16.067 32.927 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.618 17.178 31.841 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.076 17.403 30.896 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.348 15.584 29.348 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.885 15.373 30.289 1.00 0.00 H new ATOM 506 N ALA A 31 12.799 13.505 31.778 1.00 0.00 N ATOM 507 CA ALA A 31 11.732 12.529 32.021 1.00 0.00 C ATOM 508 C ALA A 31 12.251 11.109 31.743 1.00 0.00 C ATOM 509 O ALA A 31 12.089 10.588 30.650 1.00 0.00 O ATOM 510 CB ALA A 31 10.512 12.889 31.148 1.00 0.00 C ATOM 0 H ALA A 31 13.335 13.321 30.930 1.00 0.00 H new ATOM 0 HA ALA A 31 11.418 12.557 33.064 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.714 12.168 31.323 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.161 13.888 31.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.798 12.866 30.096 1.00 0.00 H new ATOM 516 N ALA A 32 12.928 10.521 32.743 1.00 0.00 N ATOM 517 CA ALA A 32 13.575 9.201 32.612 1.00 0.00 C ATOM 518 C ALA A 32 12.561 8.080 32.285 1.00 0.00 C ATOM 519 O ALA A 32 12.671 7.440 31.244 1.00 0.00 O ATOM 520 CB ALA A 32 14.395 8.878 33.876 1.00 0.00 C ATOM 0 H ALA A 32 13.043 10.944 33.664 1.00 0.00 H new ATOM 0 HA ALA A 32 14.258 9.250 31.764 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.866 7.901 33.764 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.164 9.638 34.015 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.736 8.866 34.744 1.00 0.00 H new ATOM 526 N ASP A 33 11.573 7.861 33.168 1.00 0.00 N ATOM 527 CA ASP A 33 10.545 6.801 33.002 1.00 0.00 C ATOM 528 C ASP A 33 9.564 7.156 31.864 1.00 0.00 C ATOM 529 O ASP A 33 9.271 6.333 31.004 1.00 0.00 O ATOM 530 CB ASP A 33 9.767 6.609 34.334 1.00 0.00 C ATOM 531 CG ASP A 33 8.645 5.552 34.256 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.929 4.351 34.438 1.00 0.00 O ATOM 533 OD2 ASP A 33 7.479 5.917 34.005 1.00 0.00 O ATOM 0 H ASP A 33 11.458 8.410 34.020 1.00 0.00 H new ATOM 0 HA ASP A 33 11.049 5.871 32.739 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.470 6.321 35.116 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.333 7.564 34.631 1.00 0.00 H new ATOM 538 N LYS A 34 9.072 8.400 31.934 1.00 0.00 N ATOM 539 CA LYS A 34 8.045 8.930 31.006 1.00 0.00 C ATOM 540 C LYS A 34 8.489 8.755 29.524 1.00 0.00 C ATOM 541 O LYS A 34 7.842 8.040 28.752 1.00 0.00 O ATOM 542 CB LYS A 34 7.736 10.414 31.339 1.00 0.00 C ATOM 543 CG LYS A 34 6.652 11.075 30.458 1.00 0.00 C ATOM 544 CD LYS A 34 5.282 10.381 30.586 1.00 0.00 C ATOM 545 CE LYS A 34 4.231 10.944 29.613 1.00 0.00 C ATOM 546 NZ LYS A 34 2.943 10.214 29.715 1.00 0.00 N ATOM 0 H LYS A 34 9.372 9.076 32.637 1.00 0.00 H new ATOM 0 HA LYS A 34 7.127 8.357 31.137 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.423 10.478 32.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.657 10.990 31.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.552 12.124 30.737 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.971 11.052 29.416 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.403 9.313 30.404 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.919 10.491 31.608 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.068 12.001 29.825 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.607 10.878 28.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.259 10.621 29.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.094 9.210 29.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.572 10.299 30.683 1.00 0.00 H new ATOM 560 N TYR A 35 9.647 9.353 29.198 1.00 0.00 N ATOM 561 CA TYR A 35 10.238 9.304 27.837 1.00 0.00 C ATOM 562 C TYR A 35 10.599 7.850 27.448 1.00 0.00 C ATOM 563 O TYR A 35 10.575 7.516 26.272 1.00 0.00 O ATOM 564 CB TYR A 35 11.486 10.215 27.769 1.00 0.00 C ATOM 565 CG TYR A 35 12.168 10.359 26.391 1.00 0.00 C ATOM 566 CD1 TYR A 35 11.727 11.297 25.458 1.00 0.00 C ATOM 567 CD2 TYR A 35 13.290 9.596 26.053 1.00 0.00 C ATOM 568 CE1 TYR A 35 12.373 11.450 24.249 1.00 0.00 C ATOM 569 CE2 TYR A 35 13.935 9.756 24.852 1.00 0.00 C ATOM 570 CZ TYR A 35 13.475 10.684 23.956 1.00 0.00 C ATOM 571 OH TYR A 35 14.114 10.846 22.752 1.00 0.00 O ATOM 0 H TYR A 35 10.205 9.886 29.866 1.00 0.00 H new ATOM 0 HA TYR A 35 9.500 9.669 27.123 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.200 11.209 28.112 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.224 9.834 28.475 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.868 11.912 25.685 1.00 0.00 H new ATOM 0 HD2 TYR A 35 13.658 8.862 26.755 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.012 12.173 23.532 1.00 0.00 H new ATOM 0 HE2 TYR A 35 14.800 9.154 24.615 1.00 0.00 H new ATOM 0 HH TYR A 35 14.875 10.231 22.700 1.00 0.00 H new ATOM 581 N ALA A 36 10.937 7.026 28.468 1.00 0.00 N ATOM 582 CA ALA A 36 11.303 5.602 28.252 1.00 0.00 C ATOM 583 C ALA A 36 10.100 4.773 27.770 1.00 0.00 C ATOM 584 O ALA A 36 10.216 4.007 26.808 1.00 0.00 O ATOM 585 CB ALA A 36 11.909 4.979 29.513 1.00 0.00 C ATOM 0 H ALA A 36 10.964 7.319 29.445 1.00 0.00 H new ATOM 0 HA ALA A 36 12.060 5.587 27.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.164 3.938 29.318 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.809 5.527 29.793 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.186 5.029 30.327 1.00 0.00 H new ATOM 591 N GLU A 37 8.937 4.936 28.423 1.00 0.00 N ATOM 592 CA GLU A 37 7.679 4.276 28.051 1.00 0.00 C ATOM 593 C GLU A 37 7.180 4.770 26.693 1.00 0.00 C ATOM 594 O GLU A 37 6.550 4.038 25.978 1.00 0.00 O ATOM 595 CB GLU A 37 6.604 4.547 29.134 1.00 0.00 C ATOM 596 CG GLU A 37 6.982 4.078 30.550 1.00 0.00 C ATOM 597 CD GLU A 37 7.176 2.560 30.665 1.00 0.00 C ATOM 598 OE1 GLU A 37 6.198 1.806 30.459 1.00 0.00 O ATOM 599 OE2 GLU A 37 8.309 2.109 30.947 1.00 0.00 O ATOM 0 H GLU A 37 8.846 5.542 29.239 1.00 0.00 H new ATOM 0 HA GLU A 37 7.864 3.204 27.979 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.400 5.617 29.163 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.678 4.054 28.838 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.902 4.577 30.855 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.204 4.390 31.246 1.00 0.00 H new ATOM 606 N LEU A 38 7.453 6.041 26.410 1.00 0.00 N ATOM 607 CA LEU A 38 7.114 6.646 25.105 1.00 0.00 C ATOM 608 C LEU A 38 8.002 6.069 23.965 1.00 0.00 C ATOM 609 O LEU A 38 7.529 5.857 22.851 1.00 0.00 O ATOM 610 CB LEU A 38 7.200 8.178 25.187 1.00 0.00 C ATOM 611 CG LEU A 38 6.232 8.851 26.209 1.00 0.00 C ATOM 612 CD1 LEU A 38 6.387 10.379 26.203 1.00 0.00 C ATOM 613 CD2 LEU A 38 4.763 8.426 25.980 1.00 0.00 C ATOM 0 H LEU A 38 7.908 6.680 27.061 1.00 0.00 H new ATOM 0 HA LEU A 38 6.084 6.385 24.860 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.222 8.454 25.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.999 8.589 24.198 1.00 0.00 H new ATOM 0 HG LEU A 38 6.513 8.496 27.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.699 10.817 26.926 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.410 10.642 26.471 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.162 10.764 25.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.123 8.918 26.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.453 8.715 24.976 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.676 7.345 26.089 1.00 0.00 H new ATOM 625 N GLU A 39 9.298 5.885 24.273 1.00 0.00 N ATOM 626 CA GLU A 39 10.264 5.104 23.443 1.00 0.00 C ATOM 627 C GLU A 39 9.803 3.643 23.213 1.00 0.00 C ATOM 628 O GLU A 39 10.111 3.052 22.182 1.00 0.00 O ATOM 629 CB GLU A 39 11.677 5.114 24.103 1.00 0.00 C ATOM 630 CG GLU A 39 12.468 6.427 23.936 1.00 0.00 C ATOM 631 CD GLU A 39 12.823 6.744 22.472 1.00 0.00 C ATOM 632 OE1 GLU A 39 13.829 6.209 21.973 1.00 0.00 O ATOM 633 OE2 GLU A 39 12.102 7.516 21.816 1.00 0.00 O ATOM 0 H GLU A 39 9.721 6.276 25.115 1.00 0.00 H new ATOM 0 HA GLU A 39 10.309 5.590 22.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.565 4.908 25.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.264 4.298 23.681 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.883 7.250 24.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.386 6.366 24.520 1.00 0.00 H new ATOM 640 N LYS A 40 9.095 3.071 24.203 1.00 0.00 N ATOM 641 CA LYS A 40 8.561 1.688 24.103 1.00 0.00 C ATOM 642 C LYS A 40 7.226 1.644 23.314 1.00 0.00 C ATOM 643 O LYS A 40 6.968 0.686 22.588 1.00 0.00 O ATOM 644 CB LYS A 40 8.418 1.024 25.494 1.00 0.00 C ATOM 645 CG LYS A 40 9.766 0.792 26.216 1.00 0.00 C ATOM 646 CD LYS A 40 9.726 -0.302 27.317 1.00 0.00 C ATOM 647 CE LYS A 40 8.900 0.069 28.562 1.00 0.00 C ATOM 648 NZ LYS A 40 7.430 0.046 28.353 1.00 0.00 N ATOM 0 H LYS A 40 8.876 3.539 25.083 1.00 0.00 H new ATOM 0 HA LYS A 40 9.291 1.106 23.541 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.783 1.650 26.121 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.909 0.067 25.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.518 0.518 25.476 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.089 1.731 26.666 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.319 -1.217 26.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.747 -0.523 27.628 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.151 -0.621 29.368 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.192 1.066 28.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.958 -0.233 29.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.105 0.993 28.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.196 -0.637 27.605 1.00 0.00 H new ATOM 662 N GLU A 41 6.361 2.639 23.561 1.00 0.00 N ATOM 663 CA GLU A 41 5.154 2.890 22.725 1.00 0.00 C ATOM 664 C GLU A 41 5.544 3.024 21.243 1.00 0.00 C ATOM 665 O GLU A 41 4.874 2.480 20.357 1.00 0.00 O ATOM 666 CB GLU A 41 4.392 4.167 23.197 1.00 0.00 C ATOM 667 CG GLU A 41 3.746 4.052 24.589 1.00 0.00 C ATOM 668 CD GLU A 41 2.772 2.870 24.704 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.695 2.912 24.073 1.00 0.00 O ATOM 670 OE2 GLU A 41 3.076 1.894 25.423 1.00 0.00 O ATOM 0 H GLU A 41 6.467 3.293 24.336 1.00 0.00 H new ATOM 0 HA GLU A 41 4.487 2.036 22.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.087 5.007 23.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.615 4.400 22.469 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.530 3.944 25.339 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.214 4.977 24.814 1.00 0.00 H new ATOM 677 N LYS A 42 6.641 3.756 21.018 1.00 0.00 N ATOM 678 CA LYS A 42 7.253 3.898 19.698 1.00 0.00 C ATOM 679 C LYS A 42 7.749 2.521 19.201 1.00 0.00 C ATOM 680 O LYS A 42 7.417 2.123 18.107 1.00 0.00 O ATOM 681 CB LYS A 42 8.425 4.907 19.740 1.00 0.00 C ATOM 682 CG LYS A 42 9.119 5.116 18.373 1.00 0.00 C ATOM 683 CD LYS A 42 10.399 5.960 18.473 1.00 0.00 C ATOM 684 CE LYS A 42 10.133 7.401 18.905 1.00 0.00 C ATOM 685 NZ LYS A 42 11.395 8.161 19.009 1.00 0.00 N ATOM 0 H LYS A 42 7.129 4.268 21.753 1.00 0.00 H new ATOM 0 HA LYS A 42 6.503 4.280 19.006 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.053 5.867 20.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.164 4.561 20.463 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.363 4.144 17.943 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.423 5.601 17.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.080 5.493 19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.901 5.964 17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.471 7.884 18.186 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.619 7.408 19.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.206 9.171 18.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.801 8.032 19.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.068 7.816 18.295 1.00 0.00 H new ATOM 699 N ALA A 43 8.555 1.832 20.042 1.00 0.00 N ATOM 700 CA ALA A 43 9.132 0.492 19.769 1.00 0.00 C ATOM 701 C ALA A 43 8.063 -0.518 19.271 1.00 0.00 C ATOM 702 O ALA A 43 8.265 -1.190 18.249 1.00 0.00 O ATOM 703 CB ALA A 43 9.848 -0.060 21.016 1.00 0.00 C ATOM 0 H ALA A 43 8.830 2.201 20.952 1.00 0.00 H new ATOM 0 HA ALA A 43 9.861 0.618 18.968 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.263 -1.043 20.792 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.653 0.617 21.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.136 -0.145 21.837 1.00 0.00 H new ATOM 709 N THR A 44 6.922 -0.594 19.987 1.00 0.00 N ATOM 710 CA THR A 44 5.757 -1.439 19.662 1.00 0.00 C ATOM 711 C THR A 44 5.120 -0.996 18.330 1.00 0.00 C ATOM 712 O THR A 44 4.715 -1.829 17.525 1.00 0.00 O ATOM 713 CB THR A 44 4.686 -1.353 20.805 1.00 0.00 C ATOM 714 OG1 THR A 44 5.288 -1.659 22.072 1.00 0.00 O ATOM 715 CG2 THR A 44 3.497 -2.305 20.569 1.00 0.00 C ATOM 0 H THR A 44 6.783 -0.049 20.838 1.00 0.00 H new ATOM 0 HA THR A 44 6.102 -2.469 19.567 1.00 0.00 H new ATOM 0 HB THR A 44 4.305 -0.332 20.804 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.856 -0.911 22.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.784 -2.207 21.388 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.007 -2.049 19.629 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.857 -3.333 20.523 1.00 0.00 H new ATOM 723 N LEU A 45 5.001 0.333 18.182 1.00 0.00 N ATOM 724 CA LEU A 45 4.540 0.895 16.893 1.00 0.00 C ATOM 725 C LEU A 45 5.434 0.389 15.741 1.00 0.00 C ATOM 726 O LEU A 45 4.935 -0.282 14.872 1.00 0.00 O ATOM 727 CB LEU A 45 4.385 2.435 16.861 1.00 0.00 C ATOM 728 CG LEU A 45 3.101 3.012 17.550 1.00 0.00 C ATOM 729 CD1 LEU A 45 2.962 4.518 17.264 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.824 2.253 17.106 1.00 0.00 C ATOM 0 H LEU A 45 5.208 1.020 18.907 1.00 0.00 H new ATOM 0 HA LEU A 45 3.523 0.526 16.759 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.259 2.878 17.338 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.391 2.759 15.820 1.00 0.00 H new ATOM 0 HG LEU A 45 3.213 2.870 18.625 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.065 4.900 17.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.835 5.044 17.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.887 4.679 16.189 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.954 2.681 17.604 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.704 2.343 16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.914 1.201 17.375 1.00 0.00 H new ATOM 742 N GLU A 46 6.758 0.631 15.781 1.00 0.00 N ATOM 743 CA GLU A 46 7.739 0.208 14.754 1.00 0.00 C ATOM 744 C GLU A 46 7.746 -1.327 14.542 1.00 0.00 C ATOM 745 O GLU A 46 7.976 -1.798 13.424 1.00 0.00 O ATOM 746 CB GLU A 46 9.152 0.701 15.158 1.00 0.00 C ATOM 747 CG GLU A 46 9.219 2.209 15.454 1.00 0.00 C ATOM 748 CD GLU A 46 10.618 2.691 15.872 1.00 0.00 C ATOM 749 OE1 GLU A 46 11.029 2.419 17.023 1.00 0.00 O ATOM 750 OE2 GLU A 46 11.307 3.341 15.057 1.00 0.00 O ATOM 0 H GLU A 46 7.191 1.141 16.551 1.00 0.00 H new ATOM 0 HA GLU A 46 7.444 0.657 13.806 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.480 0.152 16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.852 0.465 14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.904 2.759 14.568 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.510 2.447 16.246 1.00 0.00 H new ATOM 757 N ALA A 47 7.354 -2.076 15.596 1.00 0.00 N ATOM 758 CA ALA A 47 7.357 -3.544 15.644 1.00 0.00 C ATOM 759 C ALA A 47 6.161 -4.072 14.857 1.00 0.00 C ATOM 760 O ALA A 47 6.330 -4.816 13.900 1.00 0.00 O ATOM 761 CB ALA A 47 7.349 -4.050 17.097 1.00 0.00 C ATOM 0 H ALA A 47 7.017 -1.656 16.462 1.00 0.00 H new ATOM 0 HA ALA A 47 8.272 -3.919 15.186 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.351 -5.140 17.103 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.235 -3.682 17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.455 -3.687 17.604 1.00 0.00 H new ATOM 767 N GLU A 48 4.964 -3.625 15.274 1.00 0.00 N ATOM 768 CA GLU A 48 3.658 -3.876 14.637 1.00 0.00 C ATOM 769 C GLU A 48 3.672 -3.424 13.166 1.00 0.00 C ATOM 770 O GLU A 48 3.520 -4.227 12.269 1.00 0.00 O ATOM 771 CB GLU A 48 2.567 -3.083 15.435 1.00 0.00 C ATOM 772 CG GLU A 48 1.179 -2.947 14.762 1.00 0.00 C ATOM 773 CD GLU A 48 0.300 -4.212 14.846 1.00 0.00 C ATOM 774 OE1 GLU A 48 0.609 -5.222 14.183 1.00 0.00 O ATOM 775 OE2 GLU A 48 -0.714 -4.199 15.579 1.00 0.00 O ATOM 0 H GLU A 48 4.876 -3.047 16.110 1.00 0.00 H new ATOM 0 HA GLU A 48 3.439 -4.944 14.653 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.431 -3.569 16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.950 -2.082 15.633 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.645 -2.117 15.225 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.322 -2.688 13.713 1.00 0.00 H new ATOM 782 N ILE A 49 3.924 -2.120 13.001 1.00 0.00 N ATOM 783 CA ILE A 49 3.752 -1.465 11.685 1.00 0.00 C ATOM 784 C ILE A 49 4.696 -2.094 10.631 1.00 0.00 C ATOM 785 O ILE A 49 4.224 -2.467 9.552 1.00 0.00 O ATOM 786 CB ILE A 49 3.836 0.118 11.694 1.00 0.00 C ATOM 787 CG1 ILE A 49 5.298 0.637 11.917 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.841 0.708 12.740 1.00 0.00 C ATOM 789 CD1 ILE A 49 5.429 2.144 12.041 1.00 0.00 C ATOM 0 H ILE A 49 4.243 -1.500 13.745 1.00 0.00 H new ATOM 0 HA ILE A 49 2.719 -1.664 11.401 1.00 0.00 H new ATOM 0 HB ILE A 49 3.540 0.472 10.706 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.698 0.177 12.821 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.918 0.300 11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.910 1.796 12.735 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.825 0.408 12.485 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.092 0.333 13.732 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.476 2.407 12.193 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.065 2.617 11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.841 2.492 12.890 1.00 0.00 H new ATOM 801 N ALA A 50 6.021 -2.254 10.910 1.00 0.00 N ATOM 802 CA ALA A 50 6.962 -2.935 10.010 1.00 0.00 C ATOM 803 C ALA A 50 6.735 -4.464 9.913 1.00 0.00 C ATOM 804 O ALA A 50 7.156 -5.060 8.938 1.00 0.00 O ATOM 805 CB ALA A 50 8.399 -2.626 10.439 1.00 0.00 C ATOM 0 H ALA A 50 6.454 -1.910 11.767 1.00 0.00 H new ATOM 0 HA ALA A 50 6.779 -2.546 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.095 -3.132 9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.569 -1.550 10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.557 -2.975 11.459 1.00 0.00 H new ATOM 811 N ARG A 51 6.136 -5.094 10.949 1.00 0.00 N ATOM 812 CA ARG A 51 5.708 -6.525 10.894 1.00 0.00 C ATOM 813 C ARG A 51 4.633 -6.702 9.811 1.00 0.00 C ATOM 814 O ARG A 51 4.728 -7.575 8.948 1.00 0.00 O ATOM 815 CB ARG A 51 5.184 -7.031 12.265 1.00 0.00 C ATOM 816 CG ARG A 51 4.853 -8.539 12.324 1.00 0.00 C ATOM 817 CD ARG A 51 6.088 -9.418 12.067 1.00 0.00 C ATOM 818 NE ARG A 51 5.792 -10.857 12.195 1.00 0.00 N ATOM 819 CZ ARG A 51 6.581 -11.854 11.758 1.00 0.00 C ATOM 820 NH1 ARG A 51 7.702 -11.603 11.093 1.00 0.00 N ATOM 821 NH2 ARG A 51 6.245 -13.109 11.999 1.00 0.00 N ATOM 0 H ARG A 51 5.934 -4.639 11.839 1.00 0.00 H new ATOM 0 HA ARG A 51 6.582 -7.126 10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.931 -6.809 13.027 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.288 -6.468 12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.436 -8.779 13.302 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.086 -8.769 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.472 -9.217 11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.875 -9.148 12.771 1.00 0.00 H new ATOM 0 HE ARG A 51 4.918 -11.117 12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.979 -10.639 10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.287 -12.374 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.390 -13.318 12.515 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.841 -13.869 11.669 1.00 0.00 H new ATOM 835 N LEU A 52 3.618 -5.853 9.926 1.00 0.00 N ATOM 836 CA LEU A 52 2.559 -5.696 8.923 1.00 0.00 C ATOM 837 C LEU A 52 3.171 -5.481 7.528 1.00 0.00 C ATOM 838 O LEU A 52 2.742 -6.111 6.561 1.00 0.00 O ATOM 839 CB LEU A 52 1.601 -4.531 9.291 1.00 0.00 C ATOM 840 CG LEU A 52 0.883 -4.661 10.672 1.00 0.00 C ATOM 841 CD1 LEU A 52 -0.138 -3.524 10.898 1.00 0.00 C ATOM 842 CD2 LEU A 52 0.250 -6.061 10.851 1.00 0.00 C ATOM 0 H LEU A 52 3.502 -5.240 10.733 1.00 0.00 H new ATOM 0 HA LEU A 52 1.970 -6.613 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.169 -3.601 9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.842 -4.448 8.513 1.00 0.00 H new ATOM 0 HG LEU A 52 1.643 -4.554 11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.615 -3.651 11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.375 -2.563 10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.896 -3.554 10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.241 -6.117 11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.484 -6.232 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.028 -6.822 10.794 1.00 0.00 H new ATOM 854 N ARG A 53 4.212 -4.628 7.439 1.00 0.00 N ATOM 855 CA ARG A 53 4.886 -4.262 6.187 1.00 0.00 C ATOM 856 C ARG A 53 6.096 -5.174 5.836 1.00 0.00 C ATOM 857 O ARG A 53 6.764 -4.911 4.842 1.00 0.00 O ATOM 858 CB ARG A 53 5.354 -2.787 6.286 1.00 0.00 C ATOM 859 CG ARG A 53 4.223 -1.741 6.426 1.00 0.00 C ATOM 860 CD ARG A 53 4.776 -0.316 6.579 1.00 0.00 C ATOM 861 NE ARG A 53 5.634 0.062 5.435 1.00 0.00 N ATOM 862 CZ ARG A 53 6.970 0.204 5.473 1.00 0.00 C ATOM 863 NH1 ARG A 53 7.638 0.055 6.608 1.00 0.00 N ATOM 864 NH2 ARG A 53 7.629 0.491 4.369 1.00 0.00 N ATOM 0 H ARG A 53 4.612 -4.167 8.256 1.00 0.00 H new ATOM 0 HA ARG A 53 4.163 -4.397 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.022 -2.692 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.939 -2.548 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.576 -1.787 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.607 -1.986 7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.949 0.389 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.349 -0.245 7.503 1.00 0.00 H new ATOM 0 HE ARG A 53 5.172 0.229 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.138 -0.170 7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.652 0.166 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.125 0.605 3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.643 0.600 4.394 1.00 0.00 H new ATOM 878 N GLU A 54 6.425 -6.208 6.651 1.00 0.00 N ATOM 879 CA GLU A 54 7.458 -7.225 6.266 1.00 0.00 C ATOM 880 C GLU A 54 6.755 -8.482 5.751 1.00 0.00 C ATOM 881 O GLU A 54 7.261 -9.185 4.893 1.00 0.00 O ATOM 882 CB GLU A 54 8.435 -7.562 7.427 1.00 0.00 C ATOM 883 CG GLU A 54 7.846 -8.407 8.562 1.00 0.00 C ATOM 884 CD GLU A 54 8.834 -8.642 9.705 1.00 0.00 C ATOM 885 OE1 GLU A 54 8.957 -7.764 10.574 1.00 0.00 O ATOM 886 OE2 GLU A 54 9.480 -9.703 9.749 1.00 0.00 O ATOM 0 H GLU A 54 6.002 -6.366 7.566 1.00 0.00 H new ATOM 0 HA GLU A 54 8.074 -6.797 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.295 -8.089 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.807 -6.628 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.957 -7.912 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.525 -9.369 8.163 1.00 0.00 H new ATOM 893 N VAL A 55 5.589 -8.747 6.340 1.00 0.00 N ATOM 894 CA VAL A 55 4.635 -9.699 5.755 1.00 0.00 C ATOM 895 C VAL A 55 4.227 -9.135 4.375 1.00 0.00 C ATOM 896 O VAL A 55 4.173 -9.855 3.388 1.00 0.00 O ATOM 897 CB VAL A 55 3.390 -9.951 6.675 1.00 0.00 C ATOM 898 CG1 VAL A 55 2.370 -10.892 5.996 1.00 0.00 C ATOM 899 CG2 VAL A 55 3.839 -10.529 8.039 1.00 0.00 C ATOM 0 H VAL A 55 5.281 -8.322 7.214 1.00 0.00 H new ATOM 0 HA VAL A 55 5.104 -10.677 5.649 1.00 0.00 H new ATOM 0 HB VAL A 55 2.897 -8.994 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.519 -11.046 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.026 -10.444 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.844 -11.851 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.965 -10.699 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.361 -11.473 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.508 -9.823 8.531 1.00 0.00 H new ATOM 909 N HIS A 56 3.996 -7.808 4.373 1.00 0.00 N ATOM 910 CA HIS A 56 3.911 -7.024 3.108 1.00 0.00 C ATOM 911 C HIS A 56 5.306 -6.552 2.580 1.00 0.00 C ATOM 912 O HIS A 56 5.427 -5.425 2.076 1.00 0.00 O ATOM 913 CB HIS A 56 2.965 -5.802 3.300 1.00 0.00 C ATOM 914 CG HIS A 56 1.499 -6.137 3.416 1.00 0.00 C ATOM 915 ND1 HIS A 56 0.520 -5.471 2.703 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.841 -7.034 4.188 1.00 0.00 C ATOM 917 CE1 HIS A 56 -0.663 -5.938 3.038 1.00 0.00 C ATOM 918 NE2 HIS A 56 -0.497 -6.886 3.933 1.00 0.00 N ATOM 0 H HIS A 56 3.865 -7.254 5.219 1.00 0.00 H new ATOM 0 HA HIS A 56 3.504 -7.693 2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.270 -5.264 4.197 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.101 -5.122 2.459 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.288 -7.736 4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.610 -5.600 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.245 -7.426 4.368 1.00 0.00 H new ATOM 927 N SER A 57 6.345 -7.416 2.649 1.00 0.00 N ATOM 928 CA SER A 57 7.654 -7.165 1.979 1.00 0.00 C ATOM 929 C SER A 57 8.203 -8.487 1.426 1.00 0.00 C ATOM 930 O SER A 57 8.445 -8.613 0.219 1.00 0.00 O ATOM 931 CB SER A 57 8.671 -6.504 2.936 1.00 0.00 C ATOM 932 OG SER A 57 9.887 -6.193 2.274 1.00 0.00 O ATOM 0 H SER A 57 6.307 -8.297 3.162 1.00 0.00 H new ATOM 0 HA SER A 57 7.493 -6.467 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.240 -5.594 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.872 -7.173 3.772 1.00 0.00 H new ATOM 0 HG SER A 57 10.507 -5.775 2.908 1.00 0.00 H new ATOM 938 N GLN A 58 8.406 -9.461 2.342 1.00 0.00 N ATOM 939 CA GLN A 58 8.670 -10.887 2.014 1.00 0.00 C ATOM 940 C GLN A 58 7.617 -11.385 1.002 1.00 0.00 C ATOM 941 O GLN A 58 7.926 -12.081 0.030 1.00 0.00 O ATOM 942 CB GLN A 58 8.588 -11.735 3.317 1.00 0.00 C ATOM 943 CG GLN A 58 9.555 -11.308 4.456 1.00 0.00 C ATOM 944 CD GLN A 58 9.118 -11.779 5.859 1.00 0.00 C ATOM 945 OE1 GLN A 58 8.465 -12.812 6.011 1.00 0.00 O ATOM 946 NE2 GLN A 58 9.464 -11.015 6.890 1.00 0.00 N ATOM 0 H GLN A 58 8.391 -9.279 3.346 1.00 0.00 H new ATOM 0 HA GLN A 58 9.663 -10.987 1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.567 -11.690 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.789 -12.776 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.548 -11.705 4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.640 -10.221 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.005 -10.164 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.188 -11.279 7.836 1.00 0.00 H new ATOM 955 N LYS A 59 6.365 -10.985 1.272 1.00 0.00 N ATOM 956 CA LYS A 59 5.222 -11.164 0.385 1.00 0.00 C ATOM 957 C LYS A 59 4.575 -9.772 0.197 1.00 0.00 C ATOM 958 O LYS A 59 3.533 -9.486 0.801 1.00 0.00 O ATOM 959 CB LYS A 59 4.245 -12.186 1.034 1.00 0.00 C ATOM 960 CG LYS A 59 3.044 -12.601 0.155 1.00 0.00 C ATOM 961 CD LYS A 59 2.059 -13.505 0.924 1.00 0.00 C ATOM 962 CE LYS A 59 1.465 -12.807 2.171 1.00 0.00 C ATOM 963 NZ LYS A 59 0.660 -13.736 2.993 1.00 0.00 N ATOM 0 H LYS A 59 6.120 -10.514 2.143 1.00 0.00 H new ATOM 0 HA LYS A 59 5.505 -11.559 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.806 -13.082 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.865 -11.761 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.523 -11.709 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.405 -13.126 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.249 -13.804 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.571 -14.417 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.273 -12.395 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.843 -11.969 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.280 -13.229 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.126 -14.110 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.259 -14.523 3.315 1.00 0.00 H new ATOM 977 N LEU A 60 5.253 -8.905 -0.612 1.00 0.00 N ATOM 978 CA LEU A 60 4.950 -7.438 -0.736 1.00 0.00 C ATOM 979 C LEU A 60 3.438 -7.190 -0.834 1.00 0.00 C ATOM 980 O LEU A 60 2.830 -6.552 0.032 1.00 0.00 O ATOM 981 CB LEU A 60 5.728 -6.813 -1.951 1.00 0.00 C ATOM 982 CG LEU A 60 5.813 -5.231 -2.058 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.933 -4.800 -3.029 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.477 -4.572 -2.497 1.00 0.00 C ATOM 0 H LEU A 60 6.030 -9.202 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 60 5.296 -6.938 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.747 -7.200 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.267 -7.184 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 60 6.038 -4.882 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.969 -3.712 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.891 -5.177 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.731 -5.206 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.605 -3.491 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.189 -4.952 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.698 -4.810 -1.772 1.00 0.00 H new ATOM 996 N SER A 61 2.864 -7.710 -1.899 1.00 0.00 N ATOM 997 CA SER A 61 1.420 -7.763 -2.134 1.00 0.00 C ATOM 998 C SER A 61 1.172 -8.976 -3.025 1.00 0.00 C ATOM 999 O SER A 61 2.105 -9.427 -3.672 1.00 0.00 O ATOM 1000 CB SER A 61 0.913 -6.467 -2.818 1.00 0.00 C ATOM 1001 OG SER A 61 1.092 -5.317 -1.999 1.00 0.00 O ATOM 0 H SER A 61 3.403 -8.125 -2.659 1.00 0.00 H new ATOM 0 HA SER A 61 0.879 -7.847 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.443 -6.325 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.144 -6.577 -3.060 1.00 0.00 H new ATOM 0 HG SER A 61 1.543 -5.574 -1.168 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.064 -9.496 -3.060 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.405 -10.702 -3.850 1.00 0.00 C ATOM 1009 C LYS A 62 0.074 -10.557 -5.317 1.00 0.00 C ATOM 1010 O LYS A 62 0.970 -11.289 -5.757 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.935 -10.960 -3.785 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.466 -11.214 -2.352 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.005 -11.343 -2.284 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.548 -12.533 -3.092 1.00 0.00 C ATOM 1015 NZ LYS A 62 -6.028 -12.603 -3.053 1.00 0.00 N ATOM 0 H LYS A 62 -0.853 -9.101 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 62 0.111 -11.560 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.457 -10.102 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.176 -11.820 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.014 -12.126 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.148 -10.397 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.309 -11.450 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.457 -10.423 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.216 -12.450 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.131 -13.459 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.352 -13.419 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.345 -12.709 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.427 -11.730 -3.453 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.548 -9.615 -6.043 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.200 -9.216 -7.418 1.00 0.00 C ATOM 1031 C GLU A 63 1.304 -8.961 -7.597 1.00 0.00 C ATOM 1032 O GLU A 63 1.898 -9.534 -8.490 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.989 -7.944 -7.830 1.00 0.00 C ATOM 1034 CG GLU A 63 -2.415 -8.200 -8.335 1.00 0.00 C ATOM 1035 CD GLU A 63 -3.336 -8.882 -7.301 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.823 -8.201 -6.380 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -3.571 -10.104 -7.397 1.00 0.00 O ATOM 0 H GLU A 63 -1.340 -9.088 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.474 -10.051 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.038 -7.272 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.431 -7.426 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.860 -7.250 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.366 -8.822 -9.229 1.00 0.00 H new ATOM 1044 N ALA A 64 1.895 -8.108 -6.734 1.00 0.00 N ATOM 1045 CA ALA A 64 3.293 -7.641 -6.891 1.00 0.00 C ATOM 1046 C ALA A 64 4.293 -8.825 -6.774 1.00 0.00 C ATOM 1047 O ALA A 64 5.152 -9.007 -7.625 1.00 0.00 O ATOM 1048 CB ALA A 64 3.613 -6.535 -5.857 1.00 0.00 C ATOM 0 H ALA A 64 1.423 -7.725 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 64 3.402 -7.216 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.643 -6.203 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.939 -5.692 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.483 -6.930 -4.850 1.00 0.00 H new ATOM 1054 N GLN A 65 4.201 -9.522 -5.636 1.00 0.00 N ATOM 1055 CA GLN A 65 4.944 -10.790 -5.366 1.00 0.00 C ATOM 1056 C GLN A 65 4.854 -11.773 -6.591 1.00 0.00 C ATOM 1057 O GLN A 65 5.862 -12.373 -7.003 1.00 0.00 O ATOM 1058 CB GLN A 65 4.354 -11.427 -4.059 1.00 0.00 C ATOM 1059 CG GLN A 65 5.275 -12.368 -3.253 1.00 0.00 C ATOM 1060 CD GLN A 65 5.436 -13.771 -3.825 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.539 -14.310 -4.473 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.578 -14.375 -3.563 1.00 0.00 N ATOM 0 H GLN A 65 3.607 -9.231 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 65 6.004 -10.582 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.040 -10.617 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.457 -11.984 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.261 -11.909 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.885 -12.450 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.297 -13.894 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.743 -15.323 -3.901 1.00 0.00 H new ATOM 1071 N LYS A 66 3.633 -11.930 -7.156 1.00 0.00 N ATOM 1072 CA LYS A 66 3.396 -12.652 -8.434 1.00 0.00 C ATOM 1073 C LYS A 66 4.186 -12.062 -9.625 1.00 0.00 C ATOM 1074 O LYS A 66 4.792 -12.815 -10.394 1.00 0.00 O ATOM 1075 CB LYS A 66 1.886 -12.702 -8.768 1.00 0.00 C ATOM 1076 CG LYS A 66 1.565 -13.449 -10.082 1.00 0.00 C ATOM 1077 CD LYS A 66 0.054 -13.607 -10.345 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.234 -14.442 -11.608 1.00 0.00 C ATOM 1079 NZ LYS A 66 0.269 -15.838 -11.495 1.00 0.00 N ATOM 0 H LYS A 66 2.780 -11.559 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 66 3.767 -13.665 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.357 -13.186 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.504 -11.683 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.017 -12.912 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.026 -14.436 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.415 -14.082 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.399 -12.621 -10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.308 -14.460 -11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.228 -13.961 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.121 -16.411 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.307 -15.839 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.028 -16.241 -10.583 1.00 0.00 H new ATOM 1093 N LEU A 67 4.124 -10.725 -9.786 1.00 0.00 N ATOM 1094 CA LEU A 67 4.872 -9.984 -10.827 1.00 0.00 C ATOM 1095 C LEU A 67 6.366 -10.352 -10.798 1.00 0.00 C ATOM 1096 O LEU A 67 6.986 -10.534 -11.841 1.00 0.00 O ATOM 1097 CB LEU A 67 4.678 -8.442 -10.683 1.00 0.00 C ATOM 1098 CG LEU A 67 3.216 -7.914 -10.877 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.114 -6.384 -10.647 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.675 -8.297 -12.266 1.00 0.00 C ATOM 0 H LEU A 67 3.551 -10.123 -9.195 1.00 0.00 H new ATOM 0 HA LEU A 67 4.466 -10.279 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.023 -8.143 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.322 -7.945 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 67 2.596 -8.395 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.083 -6.062 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.428 -6.147 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.759 -5.866 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.659 -7.920 -12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.310 -7.861 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.672 -9.382 -12.369 1.00 0.00 H new ATOM 1112 N MET A 68 6.927 -10.487 -9.588 1.00 0.00 N ATOM 1113 CA MET A 68 8.273 -11.016 -9.325 1.00 0.00 C ATOM 1114 C MET A 68 8.459 -12.455 -9.838 1.00 0.00 C ATOM 1115 O MET A 68 9.442 -12.729 -10.542 1.00 0.00 O ATOM 1116 CB MET A 68 8.590 -10.905 -7.809 1.00 0.00 C ATOM 1117 CG MET A 68 8.406 -9.484 -7.253 1.00 0.00 C ATOM 1118 SD MET A 68 8.576 -9.371 -5.461 1.00 0.00 S ATOM 1119 CE MET A 68 8.138 -7.647 -5.194 1.00 0.00 C ATOM 0 H MET A 68 6.437 -10.221 -8.734 1.00 0.00 H new ATOM 0 HA MET A 68 8.985 -10.409 -9.884 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.945 -11.590 -7.259 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.617 -11.226 -7.635 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.138 -8.825 -7.720 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.420 -9.118 -7.538 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.195 -7.418 -4.130 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.830 -7.007 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.123 -7.470 -5.549 1.00 0.00 H new ATOM 1129 N LYS A 69 7.543 -13.391 -9.502 1.00 0.00 N ATOM 1130 CA LYS A 69 7.652 -14.809 -9.966 1.00 0.00 C ATOM 1131 C LYS A 69 6.942 -15.062 -11.326 1.00 0.00 C ATOM 1132 O LYS A 69 6.493 -16.189 -11.603 1.00 0.00 O ATOM 1133 CB LYS A 69 7.101 -15.755 -8.856 1.00 0.00 C ATOM 1134 CG LYS A 69 5.603 -15.560 -8.527 1.00 0.00 C ATOM 1135 CD LYS A 69 5.140 -16.356 -7.287 1.00 0.00 C ATOM 1136 CE LYS A 69 3.647 -16.147 -6.978 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.243 -16.787 -5.704 1.00 0.00 N ATOM 0 H LYS A 69 6.727 -13.202 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 69 8.706 -15.022 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.260 -16.788 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.682 -15.603 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.410 -14.500 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.007 -15.863 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.329 -17.417 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.732 -16.054 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.434 -15.079 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.049 -16.555 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.210 -16.906 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.700 -17.718 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.535 -16.187 -4.906 1.00 0.00 H new ATOM 1151 N MET A 70 6.868 -14.027 -12.185 1.00 0.00 N ATOM 1152 CA MET A 70 6.370 -14.176 -13.567 1.00 0.00 C ATOM 1153 C MET A 70 7.442 -14.881 -14.426 1.00 0.00 C ATOM 1154 O MET A 70 8.637 -14.686 -14.183 1.00 0.00 O ATOM 1155 CB MET A 70 5.999 -12.795 -14.185 1.00 0.00 C ATOM 1156 CG MET A 70 4.623 -12.256 -13.774 1.00 0.00 C ATOM 1157 SD MET A 70 3.265 -13.291 -14.368 1.00 0.00 S ATOM 1158 CE MET A 70 1.860 -12.176 -14.248 1.00 0.00 C ATOM 0 H MET A 70 7.148 -13.076 -11.945 1.00 0.00 H new ATOM 0 HA MET A 70 5.464 -14.782 -13.548 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.759 -12.068 -13.898 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.032 -12.878 -15.271 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.574 -12.187 -12.687 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.502 -11.245 -14.163 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.959 -12.689 -14.584 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.733 -11.860 -13.212 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.035 -11.302 -14.875 1.00 0.00 H new ATOM 1168 N PRO A 71 7.039 -15.763 -15.396 1.00 0.00 N ATOM 1169 CA PRO A 71 7.988 -16.389 -16.337 1.00 0.00 C ATOM 1170 C PRO A 71 8.466 -15.414 -17.445 1.00 0.00 C ATOM 1171 O PRO A 71 9.670 -15.191 -17.597 1.00 0.00 O ATOM 1172 CB PRO A 71 7.182 -17.587 -16.906 1.00 0.00 C ATOM 1173 CG PRO A 71 5.748 -17.167 -16.814 1.00 0.00 C ATOM 1174 CD PRO A 71 5.650 -16.265 -15.599 1.00 0.00 C ATOM 0 HA PRO A 71 8.917 -16.694 -15.855 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.466 -17.800 -17.937 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.365 -18.495 -16.331 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.438 -16.640 -17.716 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.094 -18.033 -16.710 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.952 -15.445 -15.768 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.294 -16.812 -14.726 1.00 0.00 H new ATOM 1182 N PHE A 72 7.512 -14.846 -18.211 1.00 0.00 N ATOM 1183 CA PHE A 72 7.812 -14.025 -19.404 1.00 0.00 C ATOM 1184 C PHE A 72 7.649 -12.554 -18.982 1.00 0.00 C ATOM 1185 O PHE A 72 6.553 -12.175 -18.587 1.00 0.00 O ATOM 1186 CB PHE A 72 6.833 -14.378 -20.556 1.00 0.00 C ATOM 1187 CG PHE A 72 6.954 -15.813 -21.077 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.934 -16.156 -22.008 1.00 0.00 C ATOM 1189 CD2 PHE A 72 6.095 -16.816 -20.632 1.00 0.00 C ATOM 1190 CE1 PHE A 72 8.038 -17.447 -22.491 1.00 0.00 C ATOM 1191 CE2 PHE A 72 6.199 -18.106 -21.114 1.00 0.00 C ATOM 1192 CZ PHE A 72 7.176 -18.425 -22.037 1.00 0.00 C ATOM 0 H PHE A 72 6.514 -14.943 -18.021 1.00 0.00 H new ATOM 0 HA PHE A 72 8.822 -14.211 -19.768 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.812 -14.216 -20.210 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.003 -13.689 -21.384 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.623 -15.401 -22.357 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.337 -16.581 -19.900 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.793 -17.690 -23.223 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.515 -18.867 -20.769 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.265 -19.437 -22.403 1.00 0.00 H new ATOM 1202 N GLN A 73 8.702 -11.709 -19.045 1.00 0.00 N ATOM 1203 CA GLN A 73 8.658 -10.355 -18.438 1.00 0.00 C ATOM 1204 C GLN A 73 9.766 -9.459 -19.034 1.00 0.00 C ATOM 1205 O GLN A 73 10.656 -9.951 -19.739 1.00 0.00 O ATOM 1206 CB GLN A 73 8.779 -10.398 -16.879 1.00 0.00 C ATOM 1207 CG GLN A 73 10.178 -10.744 -16.307 1.00 0.00 C ATOM 1208 CD GLN A 73 10.589 -12.200 -16.535 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.185 -13.067 -15.631 1.00 0.00 O flip ATOM 1210 NE2 GLN A 73 11.242 -12.542 -17.520 1.00 0.00 N flip ATOM 0 H GLN A 73 9.584 -11.935 -19.504 1.00 0.00 H new ATOM 0 HA GLN A 73 7.683 -9.930 -18.677 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.480 -9.426 -16.486 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.064 -11.129 -16.501 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.920 -10.090 -16.764 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.186 -10.536 -15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.540 -11.844 -18.202 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.486 -13.523 -17.655 1.00 0.00 H new ATOM 1219 N ARG A 74 9.691 -8.157 -18.691 1.00 0.00 N ATOM 1220 CA ARG A 74 10.682 -7.130 -19.106 1.00 0.00 C ATOM 1221 C ARG A 74 10.308 -5.748 -18.570 1.00 0.00 C ATOM 1222 O ARG A 74 9.376 -5.607 -17.794 1.00 0.00 O ATOM 1223 CB ARG A 74 10.844 -7.074 -20.661 1.00 0.00 C ATOM 1224 CG ARG A 74 9.594 -6.596 -21.437 1.00 0.00 C ATOM 1225 CD ARG A 74 9.780 -6.694 -22.958 1.00 0.00 C ATOM 1226 NE ARG A 74 8.605 -6.209 -23.707 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.114 -6.774 -24.816 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.622 -7.900 -25.281 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.108 -6.208 -25.451 1.00 0.00 N ATOM 0 H ARG A 74 8.938 -7.781 -18.115 1.00 0.00 H new ATOM 0 HA ARG A 74 11.639 -7.425 -18.675 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.676 -6.411 -20.900 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.116 -8.067 -21.018 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.733 -7.195 -21.139 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.373 -5.564 -21.166 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.657 -6.116 -23.251 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.977 -7.731 -23.230 1.00 0.00 H new ATOM 0 HE ARG A 74 8.130 -5.379 -23.352 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.398 -8.349 -24.794 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.239 -8.321 -26.127 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.705 -5.341 -25.097 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.732 -6.637 -26.297 1.00 0.00 H new ATOM 1243 N ALA A 75 11.057 -4.733 -18.994 1.00 0.00 N ATOM 1244 CA ALA A 75 10.710 -3.331 -18.807 1.00 0.00 C ATOM 1245 C ALA A 75 10.559 -2.797 -20.219 1.00 0.00 C ATOM 1246 O ALA A 75 11.507 -2.921 -21.000 1.00 0.00 O ATOM 1247 CB ALA A 75 11.798 -2.588 -18.013 1.00 0.00 C ATOM 0 H ALA A 75 11.940 -4.867 -19.487 1.00 0.00 H new ATOM 0 HA ALA A 75 9.800 -3.194 -18.223 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.510 -1.544 -17.890 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.913 -3.051 -17.033 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.743 -2.642 -18.553 1.00 0.00 H new ATOM 1253 N ILE A 76 9.391 -2.245 -20.596 1.00 0.00 N ATOM 1254 CA ILE A 76 8.949 -2.115 -21.980 1.00 0.00 C ATOM 1255 C ILE A 76 9.776 -1.017 -22.674 1.00 0.00 C ATOM 1256 O ILE A 76 9.900 0.093 -22.147 1.00 0.00 O ATOM 1257 CB ILE A 76 7.414 -1.740 -22.037 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.547 -2.714 -21.152 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.904 -1.708 -23.498 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.536 -4.172 -21.599 1.00 0.00 C ATOM 0 H ILE A 76 8.720 -1.871 -19.925 1.00 0.00 H new ATOM 0 HA ILE A 76 9.094 -3.067 -22.491 1.00 0.00 H new ATOM 0 HB ILE A 76 7.305 -0.738 -21.621 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.914 -2.669 -20.127 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.520 -2.348 -21.139 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.846 -1.448 -23.508 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.466 -0.965 -24.063 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.041 -2.689 -23.953 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.911 -4.755 -20.923 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.137 -4.239 -22.611 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.552 -4.565 -21.583 1.00 0.00 H new ATOM 1272 N THR A 77 10.308 -1.347 -23.850 1.00 0.00 N ATOM 1273 CA THR A 77 11.116 -0.430 -24.664 1.00 0.00 C ATOM 1274 C THR A 77 10.217 0.626 -25.305 1.00 0.00 C ATOM 1275 O THR A 77 9.032 0.374 -25.510 1.00 0.00 O ATOM 1276 CB THR A 77 11.888 -1.200 -25.790 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.958 -1.923 -26.617 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.921 -2.177 -25.212 1.00 0.00 C ATOM 0 H THR A 77 10.191 -2.268 -24.272 1.00 0.00 H new ATOM 0 HA THR A 77 11.843 0.048 -24.007 1.00 0.00 H new ATOM 0 HB THR A 77 12.421 -0.459 -26.386 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.452 -2.475 -27.259 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.433 -2.689 -26.027 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.649 -1.626 -24.616 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.416 -2.910 -24.583 1.00 0.00 H new ATOM 1286 N LYS A 78 10.805 1.788 -25.625 1.00 0.00 N ATOM 1287 CA LYS A 78 10.129 2.878 -26.364 1.00 0.00 C ATOM 1288 C LYS A 78 9.601 2.371 -27.733 1.00 0.00 C ATOM 1289 O LYS A 78 8.625 2.897 -28.267 1.00 0.00 O ATOM 1290 CB LYS A 78 11.113 4.061 -26.559 1.00 0.00 C ATOM 1291 CG LYS A 78 10.504 5.324 -27.222 1.00 0.00 C ATOM 1292 CD LYS A 78 11.561 6.408 -27.541 1.00 0.00 C ATOM 1293 CE LYS A 78 12.600 5.932 -28.577 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.640 6.948 -28.836 1.00 0.00 N ATOM 0 H LYS A 78 11.771 2.005 -25.379 1.00 0.00 H new ATOM 0 HA LYS A 78 9.272 3.221 -25.784 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.518 4.340 -25.586 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.951 3.719 -27.167 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.998 5.036 -28.143 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.747 5.746 -26.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.060 7.300 -27.917 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.073 6.693 -26.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.071 5.016 -28.221 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.093 5.688 -29.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.315 6.583 -29.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.196 7.815 -29.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.143 7.163 -27.952 1.00 0.00 H new ATOM 1308 N LYS A 79 10.285 1.347 -28.276 1.00 0.00 N ATOM 1309 CA LYS A 79 9.912 0.580 -29.479 1.00 0.00 C ATOM 1310 C LYS A 79 8.502 -0.042 -29.303 1.00 0.00 C ATOM 1311 O LYS A 79 7.623 0.144 -30.147 1.00 0.00 O ATOM 1312 CB LYS A 79 11.019 -0.507 -29.733 1.00 0.00 C ATOM 1313 CG LYS A 79 10.949 -1.301 -31.074 1.00 0.00 C ATOM 1314 CD LYS A 79 9.915 -2.446 -31.066 1.00 0.00 C ATOM 1315 CE LYS A 79 9.828 -3.193 -32.407 1.00 0.00 C ATOM 1316 NZ LYS A 79 8.727 -4.188 -32.395 1.00 0.00 N ATOM 0 H LYS A 79 11.158 1.015 -27.866 1.00 0.00 H new ATOM 0 HA LYS A 79 9.857 1.231 -30.352 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.991 -0.017 -29.682 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.981 -1.225 -28.914 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.707 -0.611 -31.882 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.934 -1.714 -31.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.173 -3.154 -30.279 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.934 -2.039 -30.820 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.668 -2.479 -33.215 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.774 -3.695 -32.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.123 -5.145 -32.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.205 -4.117 -31.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.081 -4.000 -33.188 1.00 0.00 H new ATOM 1330 N GLU A 80 8.299 -0.768 -28.189 1.00 0.00 N ATOM 1331 CA GLU A 80 7.009 -1.413 -27.854 1.00 0.00 C ATOM 1332 C GLU A 80 6.062 -0.432 -27.134 1.00 0.00 C ATOM 1333 O GLU A 80 4.959 -0.809 -26.789 1.00 0.00 O ATOM 1334 CB GLU A 80 7.262 -2.687 -27.002 1.00 0.00 C ATOM 1335 CG GLU A 80 7.820 -3.896 -27.789 1.00 0.00 C ATOM 1336 CD GLU A 80 6.787 -4.508 -28.759 1.00 0.00 C ATOM 1337 OE1 GLU A 80 5.841 -5.173 -28.281 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.931 -4.357 -29.995 1.00 0.00 O ATOM 0 H GLU A 80 9.026 -0.927 -27.491 1.00 0.00 H new ATOM 0 HA GLU A 80 6.516 -1.708 -28.780 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.960 -2.439 -26.202 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.326 -2.981 -26.528 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.699 -3.582 -28.352 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.148 -4.661 -27.086 1.00 0.00 H new ATOM 1345 N GLN A 81 6.540 0.792 -26.815 1.00 0.00 N ATOM 1346 CA GLN A 81 5.654 1.932 -26.473 1.00 0.00 C ATOM 1347 C GLN A 81 5.104 2.629 -27.737 1.00 0.00 C ATOM 1348 O GLN A 81 4.059 3.285 -27.681 1.00 0.00 O ATOM 1349 CB GLN A 81 6.395 2.936 -25.554 1.00 0.00 C ATOM 1350 CG GLN A 81 6.835 2.332 -24.197 1.00 0.00 C ATOM 1351 CD GLN A 81 7.661 3.283 -23.328 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.488 4.503 -23.368 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.577 2.735 -22.542 1.00 0.00 N ATOM 0 H GLN A 81 7.534 1.017 -26.787 1.00 0.00 H new ATOM 0 HA GLN A 81 4.796 1.537 -25.929 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.275 3.312 -26.076 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.746 3.791 -25.367 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.947 2.028 -23.642 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.418 1.430 -24.385 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.698 1.722 -22.529 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.161 3.326 -21.950 1.00 0.00 H new ATOM 1362 N ALA A 82 5.800 2.482 -28.877 1.00 0.00 N ATOM 1363 CA ALA A 82 5.291 2.820 -30.219 1.00 0.00 C ATOM 1364 C ALA A 82 4.297 1.761 -30.676 1.00 0.00 C ATOM 1365 O ALA A 82 3.275 2.067 -31.301 1.00 0.00 O ATOM 1366 CB ALA A 82 6.452 2.964 -31.229 1.00 0.00 C ATOM 0 H ALA A 82 6.752 2.117 -28.893 1.00 0.00 H new ATOM 0 HA ALA A 82 4.779 3.781 -30.169 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.051 3.213 -32.211 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.124 3.756 -30.900 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.001 2.024 -31.289 1.00 0.00 H new ATOM 1372 N ASP A 83 4.617 0.509 -30.334 1.00 0.00 N ATOM 1373 CA ASP A 83 3.772 -0.649 -30.617 1.00 0.00 C ATOM 1374 C ASP A 83 2.930 -1.027 -29.388 1.00 0.00 C ATOM 1375 O ASP A 83 2.433 -2.140 -29.338 1.00 0.00 O ATOM 1376 CB ASP A 83 4.642 -1.862 -31.048 1.00 0.00 C ATOM 1377 CG ASP A 83 5.562 -1.589 -32.243 1.00 0.00 C ATOM 1378 OD1 ASP A 83 5.091 -1.045 -33.262 1.00 0.00 O ATOM 1379 OD2 ASP A 83 6.750 -1.955 -32.193 1.00 0.00 O ATOM 0 H ASP A 83 5.481 0.271 -29.847 1.00 0.00 H new ATOM 0 HA ASP A 83 3.100 -0.382 -31.432 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.251 -2.176 -30.200 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.985 -2.696 -31.294 1.00 0.00 H new ATOM 1384 N MET A 84 2.724 -0.075 -28.437 1.00 0.00 N ATOM 1385 CA MET A 84 2.010 -0.345 -27.158 1.00 0.00 C ATOM 1386 C MET A 84 0.594 -0.856 -27.389 1.00 0.00 C ATOM 1387 O MET A 84 0.112 -1.742 -26.663 1.00 0.00 O ATOM 1388 CB MET A 84 1.974 0.922 -26.268 1.00 0.00 C ATOM 1389 CG MET A 84 1.280 0.723 -24.914 1.00 0.00 C ATOM 1390 SD MET A 84 2.015 -0.606 -23.931 1.00 0.00 S ATOM 1391 CE MET A 84 3.609 0.082 -23.496 1.00 0.00 C ATOM 0 H MET A 84 3.044 0.889 -28.533 1.00 0.00 H new ATOM 0 HA MET A 84 2.568 -1.128 -26.644 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.996 1.258 -26.093 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.465 1.719 -26.811 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.326 1.654 -24.348 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.226 0.503 -25.081 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.001 -0.434 -22.619 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.299 -0.044 -24.330 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.499 1.143 -23.273 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.053 -0.291 -28.416 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.400 -0.671 -28.761 1.00 0.00 C ATOM 1403 C GLY A 85 -1.464 -2.117 -29.185 1.00 0.00 C ATOM 1404 O GLY A 85 -2.300 -2.869 -28.671 1.00 0.00 O ATOM 0 H GLY A 85 0.348 0.431 -29.015 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.057 -0.510 -27.906 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.765 -0.036 -29.568 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.541 -2.525 -30.095 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.439 -3.902 -30.595 1.00 0.00 C ATOM 1410 C LYS A 86 -0.038 -4.820 -29.428 1.00 0.00 C ATOM 1411 O LYS A 86 -0.709 -5.823 -29.178 1.00 0.00 O ATOM 1412 CB LYS A 86 0.614 -3.929 -31.762 1.00 0.00 C ATOM 1413 CG LYS A 86 1.004 -5.323 -32.347 1.00 0.00 C ATOM 1414 CD LYS A 86 2.145 -6.037 -31.575 1.00 0.00 C ATOM 1415 CE LYS A 86 3.461 -5.246 -31.599 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.523 -5.903 -30.797 1.00 0.00 N ATOM 0 H LYS A 86 0.153 -1.896 -30.499 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.390 -4.260 -30.989 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.228 -3.318 -32.578 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.524 -3.447 -31.405 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.123 -5.965 -32.347 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.307 -5.197 -33.387 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.837 -6.191 -30.541 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.310 -7.023 -32.009 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.800 -5.138 -32.629 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.286 -4.241 -31.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.327 -5.252 -30.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.147 -6.151 -29.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.841 -6.766 -31.282 1.00 0.00 H new ATOM 1430 N LEU A 87 1.093 -4.474 -28.760 1.00 0.00 N ATOM 1431 CA LEU A 87 1.569 -5.068 -27.507 1.00 0.00 C ATOM 1432 C LEU A 87 0.460 -5.459 -26.526 1.00 0.00 C ATOM 1433 O LEU A 87 0.322 -6.652 -26.222 1.00 0.00 O ATOM 1434 CB LEU A 87 2.593 -4.112 -26.828 1.00 0.00 C ATOM 1435 CG LEU A 87 3.142 -4.555 -25.434 1.00 0.00 C ATOM 1436 CD1 LEU A 87 3.916 -5.891 -25.515 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.014 -3.453 -24.805 1.00 0.00 C ATOM 0 H LEU A 87 1.716 -3.743 -29.103 1.00 0.00 H new ATOM 0 HA LEU A 87 2.050 -6.007 -27.780 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.439 -3.984 -27.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.124 -3.134 -26.715 1.00 0.00 H new ATOM 0 HG LEU A 87 2.279 -4.718 -24.788 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.280 -6.161 -24.524 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.253 -6.674 -25.884 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.761 -5.781 -26.194 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.382 -3.789 -23.836 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.859 -3.239 -25.460 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.419 -2.549 -24.673 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.379 -4.495 -26.086 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.234 -4.707 -24.897 1.00 0.00 C ATOM 1451 C LYS A 88 -2.374 -5.685 -25.268 1.00 0.00 C ATOM 1452 O LYS A 88 -2.702 -6.603 -24.501 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.849 -3.348 -24.417 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.968 -2.519 -23.451 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.715 -1.257 -22.927 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.121 -0.654 -21.638 1.00 0.00 C ATOM 1457 NZ LYS A 88 0.247 -0.121 -21.823 1.00 0.00 N ATOM 0 H LYS A 88 -0.482 -3.580 -26.526 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.630 -5.121 -24.090 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.068 -2.739 -25.294 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.800 -3.553 -23.927 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.669 -3.141 -22.607 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.055 -2.215 -23.962 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.707 -0.495 -23.707 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.758 -1.517 -22.745 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.772 0.146 -21.285 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.105 -1.418 -20.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.741 -0.109 -20.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.768 -0.725 -22.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.194 0.846 -22.201 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.938 -5.475 -26.482 1.00 0.00 N ATOM 1472 CA LYS A 89 -4.129 -6.197 -26.950 1.00 0.00 C ATOM 1473 C LYS A 89 -3.787 -7.660 -27.310 1.00 0.00 C ATOM 1474 O LYS A 89 -4.586 -8.556 -27.037 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.773 -5.468 -28.173 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.894 -5.425 -29.441 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.483 -4.620 -30.631 1.00 0.00 C ATOM 1478 CE LYS A 89 -5.695 -5.285 -31.311 1.00 0.00 C ATOM 1479 NZ LYS A 89 -6.952 -5.195 -30.519 1.00 0.00 N ATOM 0 H LYS A 89 -2.576 -4.801 -27.157 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.853 -6.210 -26.135 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.714 -5.961 -28.417 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.015 -4.446 -27.882 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.927 -4.997 -29.178 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.711 -6.448 -29.771 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.778 -3.633 -30.276 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.701 -4.470 -31.375 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.855 -4.819 -32.283 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.466 -6.335 -31.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.222 -6.143 -30.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.802 -4.572 -29.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.711 -4.807 -31.115 1.00 0.00 H new ATOM 1493 N SER A 90 -2.632 -7.869 -27.987 1.00 0.00 N ATOM 1494 CA SER A 90 -2.153 -9.182 -28.462 1.00 0.00 C ATOM 1495 C SER A 90 -2.125 -10.213 -27.310 1.00 0.00 C ATOM 1496 O SER A 90 -2.803 -11.251 -27.360 1.00 0.00 O ATOM 1497 CB SER A 90 -0.728 -9.013 -29.071 1.00 0.00 C ATOM 1498 OG SER A 90 -0.324 -10.163 -29.796 1.00 0.00 O ATOM 0 H SER A 90 -1.995 -7.108 -28.222 1.00 0.00 H new ATOM 0 HA SER A 90 -2.838 -9.555 -29.224 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.715 -8.145 -29.730 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.013 -8.817 -28.272 1.00 0.00 H new ATOM 0 HG SER A 90 0.573 -10.019 -30.164 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.286 -9.898 -26.302 1.00 0.00 N ATOM 1505 CA VAL A 91 -1.188 -10.652 -25.020 1.00 0.00 C ATOM 1506 C VAL A 91 -2.582 -10.913 -24.391 1.00 0.00 C ATOM 1507 O VAL A 91 -2.767 -11.897 -23.671 1.00 0.00 O ATOM 1508 CB VAL A 91 -0.328 -9.857 -23.962 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.045 -10.736 -22.741 1.00 0.00 C ATOM 1510 CG2 VAL A 91 0.927 -9.254 -24.601 1.00 0.00 C ATOM 0 H VAL A 91 -0.647 -9.105 -26.349 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.714 -11.603 -25.264 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.950 -9.039 -23.600 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.637 -10.150 -22.038 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.865 -11.082 -22.250 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.626 -11.596 -23.075 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.496 -8.713 -23.845 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.542 -10.052 -25.017 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.636 -8.567 -25.396 1.00 0.00 H new ATOM 1520 N ARG A 92 -3.517 -9.965 -24.665 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.934 -9.967 -24.230 1.00 0.00 C ATOM 1522 C ARG A 92 -5.050 -9.363 -22.827 1.00 0.00 C ATOM 1523 O ARG A 92 -5.967 -8.586 -22.555 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.601 -11.378 -24.355 1.00 0.00 C ATOM 1525 CG ARG A 92 -7.161 -11.398 -24.428 1.00 0.00 C ATOM 1526 CD ARG A 92 -7.850 -11.878 -23.133 1.00 0.00 C ATOM 1527 NE ARG A 92 -7.771 -10.889 -22.041 1.00 0.00 N ATOM 1528 CZ ARG A 92 -8.153 -11.094 -20.771 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.691 -12.247 -20.392 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -7.999 -10.130 -19.879 1.00 0.00 N ATOM 0 H ARG A 92 -3.290 -9.141 -25.222 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.503 -9.333 -24.910 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.210 -11.864 -25.249 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.290 -11.981 -23.502 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.515 -10.394 -24.664 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.467 -12.045 -25.250 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.897 -12.096 -23.344 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.389 -12.810 -22.806 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.393 -9.970 -22.271 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.821 -12.997 -21.071 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.975 -12.383 -19.422 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.592 -9.237 -20.158 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.287 -10.279 -18.912 1.00 0.00 H new ATOM 1544 N GLY A 93 -4.100 -9.716 -21.955 1.00 0.00 N ATOM 1545 CA GLY A 93 -4.007 -9.146 -20.621 1.00 0.00 C ATOM 1546 C GLY A 93 -2.585 -9.189 -20.094 1.00 0.00 C ATOM 1547 O GLY A 93 -2.240 -10.076 -19.298 1.00 0.00 O ATOM 0 H GLY A 93 -3.377 -10.406 -22.161 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.358 -8.114 -20.640 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.663 -9.693 -19.944 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.732 -8.251 -20.549 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.382 -8.019 -20.011 1.00 0.00 C ATOM 1553 C LEU A 94 -0.499 -7.177 -18.723 1.00 0.00 C ATOM 1554 O LEU A 94 -1.585 -6.661 -18.421 1.00 0.00 O ATOM 1555 CB LEU A 94 0.411 -7.273 -21.153 1.00 0.00 C ATOM 1556 CG LEU A 94 1.771 -6.572 -20.836 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.854 -7.562 -20.396 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.250 -5.741 -22.044 1.00 0.00 C ATOM 0 H LEU A 94 -1.969 -7.622 -21.316 1.00 0.00 H new ATOM 0 HA LEU A 94 0.141 -8.936 -19.740 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.598 -7.999 -21.944 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.254 -6.515 -21.567 1.00 0.00 H new ATOM 0 HG LEU A 94 1.594 -5.902 -19.994 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.778 -7.022 -20.188 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.527 -8.082 -19.495 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.028 -8.287 -21.191 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.198 -5.261 -21.802 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.383 -6.395 -22.906 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.507 -4.979 -22.279 1.00 0.00 H new ATOM 1570 N VAL A 95 0.599 -7.003 -17.963 1.00 0.00 N ATOM 1571 CA VAL A 95 0.666 -6.120 -16.793 1.00 0.00 C ATOM 1572 C VAL A 95 1.721 -5.056 -17.134 1.00 0.00 C ATOM 1573 O VAL A 95 2.795 -5.406 -17.608 1.00 0.00 O ATOM 1574 CB VAL A 95 1.048 -6.853 -15.453 1.00 0.00 C ATOM 1575 CG1 VAL A 95 1.016 -5.853 -14.263 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.113 -8.066 -15.201 1.00 0.00 C ATOM 0 H VAL A 95 1.479 -7.483 -18.152 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.322 -5.701 -16.605 1.00 0.00 H new ATOM 0 HB VAL A 95 2.064 -7.237 -15.543 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.282 -6.374 -13.343 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.729 -5.049 -14.444 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.014 -5.435 -14.166 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.396 -8.556 -14.270 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.919 -7.722 -15.131 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.204 -8.773 -16.026 1.00 0.00 H new ATOM 1586 N VAL A 96 1.385 -3.773 -16.934 1.00 0.00 N ATOM 1587 CA VAL A 96 2.255 -2.619 -17.275 1.00 0.00 C ATOM 1588 C VAL A 96 2.282 -1.687 -16.045 1.00 0.00 C ATOM 1589 O VAL A 96 1.232 -1.417 -15.455 1.00 0.00 O ATOM 1590 CB VAL A 96 1.765 -1.826 -18.561 1.00 0.00 C ATOM 1591 CG1 VAL A 96 2.775 -0.720 -18.977 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.495 -2.783 -19.751 1.00 0.00 C ATOM 0 H VAL A 96 0.492 -3.496 -16.526 1.00 0.00 H new ATOM 0 HA VAL A 96 3.250 -2.989 -17.521 1.00 0.00 H new ATOM 0 HB VAL A 96 0.827 -1.341 -18.291 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.403 -0.201 -19.860 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.892 -0.008 -18.160 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.740 -1.174 -19.203 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.161 -2.206 -20.613 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.411 -3.317 -20.004 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.722 -3.500 -19.473 1.00 0.00 H new ATOM 1602 N VAL A 97 3.479 -1.219 -15.645 1.00 0.00 N ATOM 1603 CA VAL A 97 3.719 -0.451 -14.401 1.00 0.00 C ATOM 1604 C VAL A 97 4.611 0.756 -14.764 1.00 0.00 C ATOM 1605 O VAL A 97 5.684 0.560 -15.343 1.00 0.00 O ATOM 1606 CB VAL A 97 4.451 -1.326 -13.297 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.608 -0.542 -11.971 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.740 -2.691 -13.053 1.00 0.00 C ATOM 0 H VAL A 97 4.329 -1.366 -16.189 1.00 0.00 H new ATOM 0 HA VAL A 97 2.761 -0.137 -13.987 1.00 0.00 H new ATOM 0 HB VAL A 97 5.446 -1.547 -13.684 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.113 -1.168 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.198 0.357 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.624 -0.262 -11.595 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.280 -3.251 -12.289 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.718 -2.514 -12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.724 -3.264 -13.980 1.00 0.00 H new ATOM 1618 N HIS A 98 4.181 1.989 -14.451 1.00 0.00 N ATOM 1619 CA HIS A 98 4.911 3.212 -14.836 1.00 0.00 C ATOM 1620 C HIS A 98 5.886 3.602 -13.673 1.00 0.00 C ATOM 1621 O HIS A 98 5.556 3.375 -12.503 1.00 0.00 O ATOM 1622 CB HIS A 98 3.877 4.328 -15.137 1.00 0.00 C ATOM 1623 CG HIS A 98 4.453 5.605 -15.698 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.929 6.602 -14.882 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.624 5.978 -16.994 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.369 7.545 -15.694 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.206 7.212 -16.977 1.00 0.00 N ATOM 0 H HIS A 98 3.324 2.168 -13.928 1.00 0.00 H new ATOM 0 HA HIS A 98 5.509 3.057 -15.734 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.142 3.939 -15.842 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.342 4.563 -14.217 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.351 5.407 -17.869 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.808 8.474 -15.361 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.467 7.773 -17.788 1.00 0.00 H new ATOM 1635 N PRO A 99 7.113 4.156 -13.960 1.00 0.00 N ATOM 1636 CA PRO A 99 8.107 4.492 -12.904 1.00 0.00 C ATOM 1637 C PRO A 99 7.727 5.717 -12.054 1.00 0.00 C ATOM 1638 O PRO A 99 7.953 5.719 -10.841 1.00 0.00 O ATOM 1639 CB PRO A 99 9.390 4.759 -13.719 1.00 0.00 C ATOM 1640 CG PRO A 99 8.905 5.251 -15.044 1.00 0.00 C ATOM 1641 CD PRO A 99 7.647 4.463 -15.320 1.00 0.00 C ATOM 0 HA PRO A 99 8.197 3.693 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.023 5.499 -13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.986 3.853 -13.827 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.702 6.321 -15.017 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.651 5.088 -15.822 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.934 5.041 -15.909 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.860 3.553 -15.881 1.00 0.00 H new ATOM 1649 N MET A 100 7.157 6.753 -12.700 1.00 0.00 N ATOM 1650 CA MET A 100 6.852 8.029 -12.022 1.00 0.00 C ATOM 1651 C MET A 100 5.478 7.989 -11.357 1.00 0.00 C ATOM 1652 O MET A 100 5.115 8.923 -10.637 1.00 0.00 O ATOM 1653 CB MET A 100 6.972 9.228 -12.990 1.00 0.00 C ATOM 1654 CG MET A 100 8.336 9.329 -13.680 1.00 0.00 C ATOM 1655 SD MET A 100 8.536 10.838 -14.652 1.00 0.00 S ATOM 1656 CE MET A 100 7.240 10.681 -15.882 1.00 0.00 C ATOM 0 H MET A 100 6.899 6.732 -13.687 1.00 0.00 H new ATOM 0 HA MET A 100 7.596 8.167 -11.237 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.195 9.149 -13.750 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.785 10.149 -12.438 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.121 9.285 -12.925 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.471 8.465 -14.331 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.356 11.461 -16.635 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.307 9.703 -16.359 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.267 10.784 -15.401 1.00 0.00 H new ATOM 1666 N THR A 101 4.731 6.892 -11.570 1.00 0.00 N ATOM 1667 CA THR A 101 3.532 6.584 -10.777 1.00 0.00 C ATOM 1668 C THR A 101 3.966 5.912 -9.479 1.00 0.00 C ATOM 1669 O THR A 101 5.054 5.316 -9.422 1.00 0.00 O ATOM 1670 CB THR A 101 2.529 5.641 -11.520 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.151 4.387 -11.834 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.977 6.270 -12.804 1.00 0.00 C ATOM 0 H THR A 101 4.940 6.201 -12.290 1.00 0.00 H new ATOM 0 HA THR A 101 3.014 7.525 -10.593 1.00 0.00 H new ATOM 0 HB THR A 101 1.693 5.478 -10.840 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.121 4.510 -11.897 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.286 5.575 -13.282 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.452 7.194 -12.560 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.800 6.489 -13.485 1.00 0.00 H new ATOM 1680 N ALA A 102 3.077 5.966 -8.482 1.00 0.00 N ATOM 1681 CA ALA A 102 3.337 5.488 -7.122 1.00 0.00 C ATOM 1682 C ALA A 102 3.882 4.039 -7.088 1.00 0.00 C ATOM 1683 O ALA A 102 4.902 3.816 -6.498 1.00 0.00 O ATOM 1684 CB ALA A 102 2.058 5.604 -6.275 1.00 0.00 C ATOM 0 H ALA A 102 2.140 6.350 -8.601 1.00 0.00 H new ATOM 0 HA ALA A 102 4.117 6.122 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.257 5.247 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.741 6.646 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.269 5.001 -6.724 1.00 0.00 H new ATOM 1690 N LEU A 103 3.127 3.087 -7.670 1.00 0.00 N ATOM 1691 CA LEU A 103 3.452 1.621 -7.632 1.00 0.00 C ATOM 1692 C LEU A 103 4.937 1.336 -8.054 1.00 0.00 C ATOM 1693 O LEU A 103 5.652 0.581 -7.383 1.00 0.00 O ATOM 1694 CB LEU A 103 2.491 0.806 -8.543 1.00 0.00 C ATOM 1695 CG LEU A 103 2.624 -0.756 -8.449 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.315 -1.273 -7.019 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.731 -1.460 -9.503 1.00 0.00 C ATOM 0 H LEU A 103 2.271 3.298 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 103 3.321 1.303 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.466 1.080 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.660 1.105 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 103 3.662 -1.006 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.418 -2.358 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.014 -0.826 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.296 -0.999 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.845 -2.540 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.688 -1.190 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.031 -1.146 -10.503 1.00 0.00 H new ATOM 1709 N GLY A 104 5.361 1.923 -9.196 1.00 0.00 N ATOM 1710 CA GLY A 104 6.773 1.881 -9.632 1.00 0.00 C ATOM 1711 C GLY A 104 7.754 2.405 -8.562 1.00 0.00 C ATOM 1712 O GLY A 104 8.735 1.762 -8.255 1.00 0.00 O ATOM 0 H GLY A 104 4.745 2.431 -9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.038 0.855 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.884 2.474 -10.540 1.00 0.00 H new ATOM 1716 N ARG A 105 7.381 3.533 -7.970 1.00 0.00 N ATOM 1717 CA ARG A 105 8.147 4.187 -6.863 1.00 0.00 C ATOM 1718 C ARG A 105 8.205 3.220 -5.628 1.00 0.00 C ATOM 1719 O ARG A 105 9.214 3.122 -4.927 1.00 0.00 O ATOM 1720 CB ARG A 105 7.494 5.549 -6.497 1.00 0.00 C ATOM 1721 CG ARG A 105 7.356 6.534 -7.689 1.00 0.00 C ATOM 1722 CD ARG A 105 8.642 7.308 -8.017 1.00 0.00 C ATOM 1723 NE ARG A 105 9.074 8.176 -6.903 1.00 0.00 N ATOM 1724 CZ ARG A 105 9.938 9.198 -6.998 1.00 0.00 C ATOM 1725 NH1 ARG A 105 10.495 9.529 -8.162 1.00 0.00 N ATOM 1726 NH2 ARG A 105 10.232 9.896 -5.913 1.00 0.00 N ATOM 0 H ARG A 105 6.535 4.040 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 105 9.168 4.389 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.505 5.363 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.087 6.024 -5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.045 5.977 -8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.562 7.247 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.438 6.602 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.480 7.916 -8.907 1.00 0.00 H new ATOM 0 HE ARG A 105 8.682 7.982 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.267 9.001 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.149 10.310 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.803 9.654 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 105 10.887 10.676 -5.970 1.00 0.00 H new ATOM 1740 N GLU A 106 7.087 2.491 -5.446 1.00 0.00 N ATOM 1741 CA GLU A 106 6.880 1.475 -4.377 1.00 0.00 C ATOM 1742 C GLU A 106 7.691 0.184 -4.561 1.00 0.00 C ATOM 1743 O GLU A 106 7.964 -0.512 -3.572 1.00 0.00 O ATOM 1744 CB GLU A 106 5.358 1.155 -4.216 1.00 0.00 C ATOM 1745 CG GLU A 106 4.654 1.902 -3.059 1.00 0.00 C ATOM 1746 CD GLU A 106 4.669 3.438 -3.228 1.00 0.00 C ATOM 1747 OE1 GLU A 106 5.699 4.079 -2.914 1.00 0.00 O ATOM 1748 OE2 GLU A 106 3.652 4.005 -3.680 1.00 0.00 O ATOM 0 H GLU A 106 6.274 2.590 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 106 7.262 1.927 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.850 1.399 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.242 0.082 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.621 1.561 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.139 1.642 -2.118 1.00 0.00 H new ATOM 1755 N MET A 107 8.081 -0.151 -5.797 1.00 0.00 N ATOM 1756 CA MET A 107 8.981 -1.305 -6.051 1.00 0.00 C ATOM 1757 C MET A 107 10.368 -0.801 -6.513 1.00 0.00 C ATOM 1758 O MET A 107 11.272 -1.600 -6.755 1.00 0.00 O ATOM 1759 CB MET A 107 8.346 -2.321 -7.059 1.00 0.00 C ATOM 1760 CG MET A 107 7.026 -2.977 -6.565 1.00 0.00 C ATOM 1761 SD MET A 107 6.572 -4.497 -7.448 1.00 0.00 S ATOM 1762 CE MET A 107 6.158 -3.921 -9.094 1.00 0.00 C ATOM 0 H MET A 107 7.795 0.351 -6.638 1.00 0.00 H new ATOM 0 HA MET A 107 9.119 -1.853 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.152 -1.807 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.071 -3.107 -7.269 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.121 -3.202 -5.503 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.215 -2.256 -6.666 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.575 -4.684 -9.610 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.573 -3.004 -9.022 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.074 -3.725 -9.652 1.00 0.00 H new ATOM 1772 N GLY A 108 10.513 0.539 -6.614 1.00 0.00 N ATOM 1773 CA GLY A 108 11.792 1.189 -6.943 1.00 0.00 C ATOM 1774 C GLY A 108 12.189 1.041 -8.411 1.00 0.00 C ATOM 1775 O GLY A 108 13.287 0.568 -8.727 1.00 0.00 O ATOM 0 H GLY A 108 9.746 1.195 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.726 2.249 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.578 0.765 -6.318 1.00 0.00 H new ATOM 1779 N LEU A 109 11.292 1.460 -9.312 1.00 0.00 N ATOM 1780 CA LEU A 109 11.451 1.358 -10.772 1.00 0.00 C ATOM 1781 C LEU A 109 11.653 2.774 -11.339 1.00 0.00 C ATOM 1782 O LEU A 109 10.885 3.681 -11.005 1.00 0.00 O ATOM 1783 CB LEU A 109 10.181 0.711 -11.407 1.00 0.00 C ATOM 1784 CG LEU A 109 9.681 -0.626 -10.759 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.356 -1.100 -11.396 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.751 -1.738 -10.834 1.00 0.00 C ATOM 0 H LEU A 109 10.409 1.892 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 109 12.312 0.732 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.369 1.437 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.384 0.524 -12.462 1.00 0.00 H new ATOM 0 HG LEU A 109 9.496 -0.417 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.037 -2.029 -10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.590 -0.338 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.505 -1.267 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.364 -2.647 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.998 -1.936 -11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.648 -1.417 -10.304 1.00 0.00 H new ATOM 1798 N GLU A 110 12.678 2.949 -12.187 1.00 0.00 N ATOM 1799 CA GLU A 110 12.974 4.241 -12.866 1.00 0.00 C ATOM 1800 C GLU A 110 12.677 4.147 -14.387 1.00 0.00 C ATOM 1801 O GLU A 110 12.878 5.101 -15.140 1.00 0.00 O ATOM 1802 CB GLU A 110 14.437 4.642 -12.595 1.00 0.00 C ATOM 1803 CG GLU A 110 15.478 3.622 -13.068 1.00 0.00 C ATOM 1804 CD GLU A 110 16.916 4.124 -12.861 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.427 4.046 -11.726 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.520 4.644 -13.821 1.00 0.00 O ATOM 0 H GLU A 110 13.332 2.204 -12.428 1.00 0.00 H new ATOM 0 HA GLU A 110 12.324 5.017 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.635 5.596 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.564 4.800 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.340 2.686 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.319 3.406 -14.124 1.00 0.00 H new ATOM 1813 N GLU A 111 12.125 2.986 -14.766 1.00 0.00 N ATOM 1814 CA GLU A 111 11.710 2.687 -16.163 1.00 0.00 C ATOM 1815 C GLU A 111 10.378 1.917 -16.157 1.00 0.00 C ATOM 1816 O GLU A 111 10.094 1.180 -15.194 1.00 0.00 O ATOM 1817 CB GLU A 111 12.809 1.879 -16.913 1.00 0.00 C ATOM 1818 CG GLU A 111 13.164 0.494 -16.316 1.00 0.00 C ATOM 1819 CD GLU A 111 13.903 0.564 -14.962 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.136 0.757 -14.963 1.00 0.00 O ATOM 1821 OE2 GLU A 111 13.255 0.440 -13.891 1.00 0.00 O ATOM 0 H GLU A 111 11.949 2.219 -14.118 1.00 0.00 H new ATOM 0 HA GLU A 111 11.573 3.629 -16.694 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.486 1.735 -17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.717 2.482 -16.945 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.247 -0.081 -16.188 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.784 -0.049 -17.029 1.00 0.00 H new ATOM 1828 N MET A 112 9.525 2.147 -17.195 1.00 0.00 N ATOM 1829 CA MET A 112 8.228 1.451 -17.335 1.00 0.00 C ATOM 1830 C MET A 112 8.459 -0.055 -17.490 1.00 0.00 C ATOM 1831 O MET A 112 9.131 -0.491 -18.410 1.00 0.00 O ATOM 1832 CB MET A 112 7.401 1.979 -18.547 1.00 0.00 C ATOM 1833 CG MET A 112 6.178 1.105 -18.912 1.00 0.00 C ATOM 1834 SD MET A 112 5.063 1.872 -20.104 1.00 0.00 S ATOM 1835 CE MET A 112 4.208 3.056 -19.061 1.00 0.00 C ATOM 0 H MET A 112 9.720 2.811 -17.944 1.00 0.00 H new ATOM 0 HA MET A 112 7.654 1.652 -16.431 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.058 2.989 -18.325 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.055 2.049 -19.416 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.530 0.156 -19.316 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.622 0.878 -18.003 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.166 4.021 -19.565 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.195 2.704 -18.866 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.743 3.163 -18.117 1.00 0.00 H new ATOM 1845 N THR A 113 7.904 -0.802 -16.550 1.00 0.00 N ATOM 1846 CA THR A 113 8.064 -2.252 -16.488 1.00 0.00 C ATOM 1847 C THR A 113 6.779 -2.968 -16.965 1.00 0.00 C ATOM 1848 O THR A 113 5.699 -2.394 -16.899 1.00 0.00 O ATOM 1849 CB THR A 113 8.458 -2.673 -15.033 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.498 -1.798 -14.546 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.976 -4.115 -14.966 1.00 0.00 C ATOM 0 H THR A 113 7.325 -0.420 -15.802 1.00 0.00 H new ATOM 0 HA THR A 113 8.865 -2.556 -17.161 1.00 0.00 H new ATOM 0 HB THR A 113 7.559 -2.600 -14.421 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.963 -2.228 -13.798 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.236 -4.361 -13.936 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.201 -4.797 -15.317 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.859 -4.214 -15.597 1.00 0.00 H new ATOM 1859 N GLY A 114 6.915 -4.206 -17.497 1.00 0.00 N ATOM 1860 CA GLY A 114 5.742 -5.079 -17.653 1.00 0.00 C ATOM 1861 C GLY A 114 6.027 -6.548 -17.417 1.00 0.00 C ATOM 1862 O GLY A 114 7.187 -6.949 -17.318 1.00 0.00 O ATOM 0 H GLY A 114 7.797 -4.607 -17.814 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.967 -4.755 -16.959 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.342 -4.955 -18.659 1.00 0.00 H new ATOM 1866 N PHE A 115 4.965 -7.390 -17.382 1.00 0.00 N ATOM 1867 CA PHE A 115 5.051 -8.778 -16.888 1.00 0.00 C ATOM 1868 C PHE A 115 3.874 -9.594 -17.478 1.00 0.00 C ATOM 1869 O PHE A 115 2.751 -9.059 -17.572 1.00 0.00 O ATOM 1870 CB PHE A 115 4.910 -8.854 -15.335 1.00 0.00 C ATOM 1871 CG PHE A 115 5.875 -8.021 -14.493 1.00 0.00 C ATOM 1872 CD1 PHE A 115 7.131 -8.507 -14.152 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.499 -6.761 -14.006 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.986 -7.765 -13.362 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.351 -6.023 -13.209 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.593 -6.529 -12.882 1.00 0.00 C ATOM 0 H PHE A 115 4.031 -7.124 -17.695 1.00 0.00 H new ATOM 0 HA PHE A 115 6.024 -9.169 -17.187 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.894 -8.555 -15.075 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.021 -9.897 -15.039 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.442 -9.477 -14.509 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.528 -6.362 -14.258 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.965 -8.151 -13.118 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.047 -5.054 -12.843 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.259 -5.959 -12.251 1.00 0.00 H new ATOM 1886 N SER A 116 4.128 -10.882 -17.830 1.00 0.00 N ATOM 1887 CA SER A 116 3.005 -11.842 -18.003 1.00 0.00 C ATOM 1888 C SER A 116 3.419 -13.319 -17.766 1.00 0.00 C ATOM 1889 O SER A 116 4.599 -13.669 -17.572 1.00 0.00 O ATOM 1890 CB SER A 116 2.431 -11.697 -19.451 1.00 0.00 C ATOM 1891 OG SER A 116 1.655 -10.525 -19.605 1.00 0.00 O ATOM 0 H SER A 116 5.058 -11.268 -17.994 1.00 0.00 H new ATOM 0 HA SER A 116 2.255 -11.597 -17.251 1.00 0.00 H new ATOM 0 HB2 SER A 116 3.254 -11.682 -20.166 1.00 0.00 H new ATOM 0 HB3 SER A 116 1.820 -12.568 -19.686 1.00 0.00 H new ATOM 0 HG SER A 116 1.818 -9.923 -18.849 1.00 0.00 H new ATOM 1897 N LYS A 117 2.382 -14.174 -17.786 1.00 0.00 N ATOM 1898 CA LYS A 117 2.508 -15.640 -17.830 1.00 0.00 C ATOM 1899 C LYS A 117 2.671 -16.120 -19.288 1.00 0.00 C ATOM 1900 O LYS A 117 3.048 -17.269 -19.532 1.00 0.00 O ATOM 1901 CB LYS A 117 1.249 -16.277 -17.192 1.00 0.00 C ATOM 1902 CG LYS A 117 1.112 -16.041 -15.666 1.00 0.00 C ATOM 1903 CD LYS A 117 2.062 -16.926 -14.804 1.00 0.00 C ATOM 1904 CE LYS A 117 1.626 -18.414 -14.695 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.736 -19.163 -15.975 1.00 0.00 N ATOM 0 H LYS A 117 1.412 -13.858 -17.772 1.00 0.00 H new ATOM 0 HA LYS A 117 3.392 -15.945 -17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.364 -15.879 -17.689 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.265 -17.350 -17.381 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.314 -14.992 -15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.081 -16.235 -15.369 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.065 -16.884 -15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.123 -16.503 -13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.238 -18.909 -13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.594 -18.457 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.001 -20.149 -15.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.821 -19.142 -16.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.463 -18.722 -16.574 1.00 0.00 H new ATOM 1919 N THR A 118 2.373 -15.215 -20.236 1.00 0.00 N ATOM 1920 CA THR A 118 2.418 -15.462 -21.681 1.00 0.00 C ATOM 1921 C THR A 118 3.495 -14.554 -22.308 1.00 0.00 C ATOM 1922 O THR A 118 3.804 -13.486 -21.761 1.00 0.00 O ATOM 1923 CB THR A 118 1.020 -15.164 -22.318 1.00 0.00 C ATOM 1924 OG1 THR A 118 0.609 -13.831 -21.985 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.066 -16.151 -21.841 1.00 0.00 C ATOM 0 H THR A 118 2.086 -14.263 -20.007 1.00 0.00 H new ATOM 0 HA THR A 118 2.667 -16.506 -21.870 1.00 0.00 H new ATOM 0 HB THR A 118 1.130 -15.277 -23.396 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.266 -13.648 -22.387 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.017 -15.901 -22.312 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.219 -17.166 -22.116 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.169 -16.083 -20.758 1.00 0.00 H new ATOM 1933 N THR A 119 4.076 -14.990 -23.439 1.00 0.00 N ATOM 1934 CA THR A 119 5.149 -14.241 -24.117 1.00 0.00 C ATOM 1935 C THR A 119 4.585 -13.006 -24.860 1.00 0.00 C ATOM 1936 O THR A 119 3.524 -13.069 -25.495 1.00 0.00 O ATOM 1937 CB THR A 119 5.975 -15.154 -25.095 1.00 0.00 C ATOM 1938 OG1 THR A 119 7.074 -14.416 -25.652 1.00 0.00 O ATOM 1939 CG2 THR A 119 5.134 -15.756 -26.238 1.00 0.00 C ATOM 0 H THR A 119 3.819 -15.861 -23.905 1.00 0.00 H new ATOM 0 HA THR A 119 5.832 -13.891 -23.343 1.00 0.00 H new ATOM 0 HB THR A 119 6.337 -15.988 -24.494 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.583 -14.994 -26.258 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.770 -16.374 -26.872 1.00 0.00 H new ATOM 0 HG22 THR A 119 4.336 -16.368 -25.819 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.700 -14.952 -26.833 1.00 0.00 H new ATOM 1947 N PHE A 120 5.293 -11.878 -24.725 1.00 0.00 N ATOM 1948 CA PHE A 120 4.977 -10.604 -25.409 1.00 0.00 C ATOM 1949 C PHE A 120 6.251 -9.934 -25.970 1.00 0.00 C ATOM 1950 O PHE A 120 7.359 -10.470 -25.761 1.00 0.00 O ATOM 1951 CB PHE A 120 4.245 -9.650 -24.436 1.00 0.00 C ATOM 1952 CG PHE A 120 4.952 -9.378 -23.103 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.931 -10.319 -22.073 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.632 -8.181 -22.880 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.558 -10.066 -20.872 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.258 -7.934 -21.678 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.226 -8.876 -20.676 1.00 0.00 C ATOM 1958 OXT PHE A 120 6.139 -8.872 -26.629 1.00 0.00 O ATOM 0 H PHE A 120 6.118 -11.817 -24.128 1.00 0.00 H new ATOM 0 HA PHE A 120 4.323 -10.824 -26.252 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.088 -8.698 -24.942 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.260 -10.065 -24.224 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.417 -11.258 -22.219 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.668 -7.436 -23.661 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.526 -10.802 -20.082 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.775 -6.999 -21.522 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.724 -8.684 -19.737 1.00 0.00 H new TER 1968 PHE A 120