USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=29 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 116 SER OG : rot 140:sc= -0.0494 USER MOD Set 1.2: A 118 THR OG1 : rot 160:sc= 0.796 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-3.8) USER MOD Set 2.2: A 100 MET CE :methyl -175:sc= 0 (180deg=-0.0393) USER MOD Set 2.3: A 112 MET CE :methyl 151:sc=-0.00598 (180deg=0) USER MOD Set 3.1: A 68 MET CE :methyl 154:sc= -0.844 (180deg=-1.44) USER MOD Set 3.2: A 107 MET CE :methyl 168:sc= -0.032 (180deg=-0.209) USER MOD Set 4.1: A 7 ASN : amide:sc= 0.287 K(o=0.6,f=-0.72) USER MOD Set 4.2: A 10 LYS NZ :NH3+ 142:sc= 0.31 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.046 (180deg=-0.063) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -106:sc= 1.05 (180deg=-0.0198) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.274 F(o=-0.96,f=-0.27) USER MOD Single : A 23 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.076 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+ 143:sc= 0.414 (180deg=-0.109) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.627 (180deg=0.498) USER MOD Single : A 44 THR OG1 : rot 72:sc= 0.293 USER MOD Single : A 56 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=0.0022) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0733 USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.73 (180deg=-3.27!) USER MOD Single : A 65 GLN : amide:sc= -0.0603 K(o=-0.06,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 167:sc= 0 (180deg=-0.00894) USER MOD Single : A 73 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.47) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= -0.707 (180deg=-2.83!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.857 K(o=0.86,f=-0.45) USER MOD Single : A 84 MET CE :methyl 161:sc= -2.67! (180deg=-3.22) USER MOD Single : A 86 LYS NZ :NH3+ -119:sc= 0.00439 (180deg=-0.00383) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 95:sc= 1.04 USER MOD Single : A 101 THR OG1 : rot -54:sc= 0.859 USER MOD Single : A 113 THR OG1 : rot -110:sc= -0.309 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.547 -1.522 -6.927 1.00 0.00 N ATOM 2 CA MET A 1 -15.888 -2.221 -5.663 1.00 0.00 C ATOM 3 C MET A 1 -15.391 -1.423 -4.438 1.00 0.00 C ATOM 4 O MET A 1 -16.069 -1.391 -3.411 1.00 0.00 O ATOM 5 CB MET A 1 -15.330 -3.671 -5.667 1.00 0.00 C ATOM 6 CG MET A 1 -13.814 -3.794 -5.856 1.00 0.00 C ATOM 7 SD MET A 1 -13.253 -5.512 -5.852 1.00 0.00 S ATOM 8 CE MET A 1 -11.488 -5.312 -6.101 1.00 0.00 C ATOM 0 H1 MET A 1 -15.936 -2.052 -7.733 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.953 -0.564 -6.914 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.513 -1.459 -7.021 1.00 0.00 H new ATOM 0 HA MET A 1 -16.974 -2.286 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.601 -4.149 -4.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.824 -4.230 -6.462 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.529 -3.324 -6.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.306 -3.248 -5.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.010 -6.291 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.310 -4.802 -7.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.070 -4.720 -5.286 1.00 0.00 H new ATOM 18 N LYS A 2 -14.191 -0.794 -4.570 1.00 0.00 N ATOM 19 CA LYS A 2 -13.577 0.147 -3.587 1.00 0.00 C ATOM 20 C LYS A 2 -12.996 -0.566 -2.332 1.00 0.00 C ATOM 21 O LYS A 2 -11.851 -0.294 -1.944 1.00 0.00 O ATOM 22 CB LYS A 2 -14.547 1.300 -3.181 1.00 0.00 C ATOM 23 CG LYS A 2 -15.149 2.099 -4.367 1.00 0.00 C ATOM 24 CD LYS A 2 -14.078 2.754 -5.274 1.00 0.00 C ATOM 25 CE LYS A 2 -14.693 3.529 -6.459 1.00 0.00 C ATOM 26 NZ LYS A 2 -13.659 4.196 -7.291 1.00 0.00 N ATOM 0 H LYS A 2 -13.603 -0.932 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.732 0.595 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.364 0.878 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.012 1.992 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.766 1.432 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.807 2.875 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.469 3.434 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.411 1.982 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.269 2.843 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.389 4.277 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.118 4.704 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.125 4.871 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.009 3.481 -7.676 1.00 0.00 H new ATOM 40 N GLU A 3 -13.820 -1.419 -1.676 1.00 0.00 N ATOM 41 CA GLU A 3 -13.429 -2.353 -0.583 1.00 0.00 C ATOM 42 C GLU A 3 -13.403 -1.702 0.820 1.00 0.00 C ATOM 43 O GLU A 3 -13.560 -2.423 1.813 1.00 0.00 O ATOM 44 CB GLU A 3 -12.093 -3.111 -0.885 1.00 0.00 C ATOM 45 CG GLU A 3 -12.120 -3.979 -2.168 1.00 0.00 C ATOM 46 CD GLU A 3 -13.162 -5.108 -2.110 1.00 0.00 C ATOM 47 OE1 GLU A 3 -14.328 -4.889 -2.508 1.00 0.00 O ATOM 48 OE2 GLU A 3 -12.818 -6.218 -1.656 1.00 0.00 O ATOM 0 H GLU A 3 -14.813 -1.480 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.228 -3.094 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.288 -2.381 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.853 -3.750 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.331 -3.341 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.132 -4.412 -2.328 1.00 0.00 H new ATOM 55 N VAL A 4 -13.167 -0.361 0.908 1.00 0.00 N ATOM 56 CA VAL A 4 -13.121 0.415 2.194 1.00 0.00 C ATOM 57 C VAL A 4 -11.831 0.097 3.039 1.00 0.00 C ATOM 58 O VAL A 4 -11.553 0.772 4.001 1.00 0.00 O ATOM 59 CB VAL A 4 -14.467 0.250 3.045 1.00 0.00 C ATOM 60 CG1 VAL A 4 -14.507 1.159 4.303 1.00 0.00 C ATOM 61 CG2 VAL A 4 -15.719 0.520 2.164 1.00 0.00 C ATOM 0 H VAL A 4 -13.002 0.220 0.086 1.00 0.00 H new ATOM 0 HA VAL A 4 -13.054 1.468 1.922 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.478 -0.784 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.444 1.001 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.671 0.912 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.434 2.203 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.620 0.401 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.676 1.536 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.740 -0.188 1.335 1.00 0.00 H new ATOM 71 N GLU A 5 -11.049 -0.932 2.635 1.00 0.00 N ATOM 72 CA GLU A 5 -9.756 -1.337 3.266 1.00 0.00 C ATOM 73 C GLU A 5 -8.817 -0.135 3.574 1.00 0.00 C ATOM 74 O GLU A 5 -8.191 -0.070 4.634 1.00 0.00 O ATOM 75 CB GLU A 5 -9.028 -2.340 2.329 1.00 0.00 C ATOM 76 CG GLU A 5 -7.799 -3.045 2.942 1.00 0.00 C ATOM 77 CD GLU A 5 -8.179 -3.987 4.096 1.00 0.00 C ATOM 78 OE1 GLU A 5 -8.771 -5.054 3.819 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.927 -3.663 5.281 1.00 0.00 O ATOM 0 H GLU A 5 -11.300 -1.522 1.842 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.996 -1.798 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.742 -3.101 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.711 -1.809 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.285 -3.613 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.097 -2.295 3.305 1.00 0.00 H new ATOM 86 N LYS A 6 -8.698 0.744 2.569 1.00 0.00 N ATOM 87 CA LYS A 6 -7.893 2.002 2.698 1.00 0.00 C ATOM 88 C LYS A 6 -8.241 2.801 4.006 1.00 0.00 C ATOM 89 O LYS A 6 -7.360 3.408 4.639 1.00 0.00 O ATOM 90 CB LYS A 6 -8.090 2.932 1.462 1.00 0.00 C ATOM 91 CG LYS A 6 -7.602 2.373 0.089 1.00 0.00 C ATOM 92 CD LYS A 6 -8.605 1.406 -0.585 1.00 0.00 C ATOM 93 CE LYS A 6 -8.187 1.016 -2.016 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.208 0.172 -2.689 1.00 0.00 N ATOM 0 H LYS A 6 -9.139 0.623 1.657 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.850 1.689 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.151 3.168 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.569 3.870 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.409 3.208 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.654 1.855 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.697 0.504 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.590 1.872 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.021 1.919 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.239 0.479 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.871 -0.811 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.098 0.209 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.370 0.526 -3.653 1.00 0.00 H new ATOM 108 N ASN A 7 -9.537 2.773 4.368 1.00 0.00 N ATOM 109 CA ASN A 7 -10.060 3.438 5.607 1.00 0.00 C ATOM 110 C ASN A 7 -9.395 2.854 6.879 1.00 0.00 C ATOM 111 O ASN A 7 -9.142 3.576 7.850 1.00 0.00 O ATOM 112 CB ASN A 7 -11.598 3.237 5.679 1.00 0.00 C ATOM 113 CG ASN A 7 -12.370 4.171 6.608 1.00 0.00 C ATOM 114 OD1 ASN A 7 -11.870 4.654 7.621 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.631 4.412 6.268 1.00 0.00 N ATOM 0 H ASN A 7 -10.257 2.297 3.825 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.822 4.501 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.003 3.347 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.793 2.211 5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.211 5.012 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.019 3.997 5.421 1.00 0.00 H new ATOM 122 N GLU A 8 -9.137 1.530 6.849 1.00 0.00 N ATOM 123 CA GLU A 8 -8.485 0.806 7.956 1.00 0.00 C ATOM 124 C GLU A 8 -7.008 1.211 8.134 1.00 0.00 C ATOM 125 O GLU A 8 -6.555 1.401 9.274 1.00 0.00 O ATOM 126 CB GLU A 8 -8.609 -0.733 7.755 1.00 0.00 C ATOM 127 CG GLU A 8 -9.988 -1.340 8.100 1.00 0.00 C ATOM 128 CD GLU A 8 -11.173 -0.755 7.303 1.00 0.00 C ATOM 129 OE1 GLU A 8 -11.417 -1.217 6.177 1.00 0.00 O ATOM 130 OE2 GLU A 8 -11.870 0.159 7.809 1.00 0.00 O ATOM 0 H GLU A 8 -9.375 0.934 6.056 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.007 1.087 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.379 -0.966 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.852 -1.224 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.949 -2.416 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.177 -1.194 9.164 1.00 0.00 H new ATOM 137 N ILE A 9 -6.235 1.328 7.029 1.00 0.00 N ATOM 138 CA ILE A 9 -4.827 1.787 7.082 1.00 0.00 C ATOM 139 C ILE A 9 -4.747 3.234 7.612 1.00 0.00 C ATOM 140 O ILE A 9 -3.858 3.565 8.402 1.00 0.00 O ATOM 141 CB ILE A 9 -4.127 1.675 5.667 1.00 0.00 C ATOM 142 CG1 ILE A 9 -4.195 0.200 5.121 1.00 0.00 C ATOM 143 CG2 ILE A 9 -2.655 2.186 5.706 1.00 0.00 C ATOM 144 CD1 ILE A 9 -3.511 -0.858 5.997 1.00 0.00 C ATOM 0 H ILE A 9 -6.564 1.110 6.088 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.292 1.133 7.770 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.677 2.320 4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.242 -0.076 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.741 0.176 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.211 2.092 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.641 3.232 6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.082 1.592 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.615 -1.838 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.453 -0.616 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.978 -0.872 6.982 1.00 0.00 H new ATOM 156 N LYS A 10 -5.708 4.066 7.183 1.00 0.00 N ATOM 157 CA LYS A 10 -5.866 5.455 7.666 1.00 0.00 C ATOM 158 C LYS A 10 -6.081 5.475 9.198 1.00 0.00 C ATOM 159 O LYS A 10 -5.534 6.316 9.900 1.00 0.00 O ATOM 160 CB LYS A 10 -7.081 6.096 6.950 1.00 0.00 C ATOM 161 CG LYS A 10 -7.397 7.561 7.358 1.00 0.00 C ATOM 162 CD LYS A 10 -8.842 7.989 6.996 1.00 0.00 C ATOM 163 CE LYS A 10 -9.902 7.169 7.760 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.289 7.580 7.427 1.00 0.00 N ATOM 0 H LYS A 10 -6.404 3.797 6.487 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.962 6.022 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.905 6.066 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.961 5.484 7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.248 7.674 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.691 8.230 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.973 9.047 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.996 7.870 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.775 6.112 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.741 7.282 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.900 6.739 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.643 8.230 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.297 8.059 6.504 1.00 0.00 H new ATOM 178 N ARG A 11 -6.946 4.556 9.650 1.00 0.00 N ATOM 179 CA ARG A 11 -7.269 4.351 11.074 1.00 0.00 C ATOM 180 C ARG A 11 -6.008 4.083 11.945 1.00 0.00 C ATOM 181 O ARG A 11 -5.739 4.840 12.885 1.00 0.00 O ATOM 182 CB ARG A 11 -8.297 3.203 11.214 1.00 0.00 C ATOM 183 CG ARG A 11 -8.720 2.891 12.668 1.00 0.00 C ATOM 184 CD ARG A 11 -9.827 1.831 12.740 1.00 0.00 C ATOM 185 NE ARG A 11 -11.054 2.291 12.056 1.00 0.00 N ATOM 186 CZ ARG A 11 -11.683 1.650 11.058 1.00 0.00 C ATOM 187 NH1 ARG A 11 -11.244 0.483 10.617 1.00 0.00 N ATOM 188 NH2 ARG A 11 -12.764 2.185 10.520 1.00 0.00 N ATOM 0 H ARG A 11 -7.450 3.923 9.029 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.705 5.276 11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.186 3.457 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.877 2.300 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.852 2.545 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.066 3.807 13.147 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.478 0.905 12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.051 1.606 13.783 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.458 3.173 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.417 0.058 11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.733 0.008 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.115 3.079 10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.247 1.704 9.761 1.00 0.00 H new ATOM 202 N LEU A 12 -5.242 3.014 11.628 1.00 0.00 N ATOM 203 CA LEU A 12 -4.034 2.637 12.424 1.00 0.00 C ATOM 204 C LEU A 12 -2.945 3.740 12.362 1.00 0.00 C ATOM 205 O LEU A 12 -2.238 3.988 13.347 1.00 0.00 O ATOM 206 CB LEU A 12 -3.503 1.232 11.987 1.00 0.00 C ATOM 207 CG LEU A 12 -3.167 1.021 10.465 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.700 1.366 10.124 1.00 0.00 C ATOM 209 CD2 LEU A 12 -3.518 -0.408 9.998 1.00 0.00 C ATOM 0 H LEU A 12 -5.430 2.398 10.837 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.321 2.557 13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.602 1.020 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.247 0.488 12.273 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.795 1.723 9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.525 1.202 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.506 2.411 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.032 0.729 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.272 -0.516 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.947 -1.131 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.583 -0.587 10.143 1.00 0.00 H new ATOM 221 N SER A 13 -2.795 4.344 11.173 1.00 0.00 N ATOM 222 CA SER A 13 -1.983 5.558 10.969 1.00 0.00 C ATOM 223 C SER A 13 -2.373 6.689 11.949 1.00 0.00 C ATOM 224 O SER A 13 -1.515 7.218 12.644 1.00 0.00 O ATOM 225 CB SER A 13 -2.119 6.032 9.513 1.00 0.00 C ATOM 226 OG SER A 13 -1.228 7.099 9.228 1.00 0.00 O ATOM 0 H SER A 13 -3.236 4.003 10.319 1.00 0.00 H new ATOM 0 HA SER A 13 -0.943 5.305 11.173 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.919 5.200 8.838 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.144 6.353 9.328 1.00 0.00 H new ATOM 0 HG SER A 13 -1.338 7.376 8.294 1.00 0.00 H new ATOM 232 N ASP A 14 -3.675 7.044 11.970 1.00 0.00 N ATOM 233 CA ASP A 14 -4.239 8.068 12.893 1.00 0.00 C ATOM 234 C ASP A 14 -3.943 7.718 14.369 1.00 0.00 C ATOM 235 O ASP A 14 -3.753 8.607 15.204 1.00 0.00 O ATOM 236 CB ASP A 14 -5.774 8.188 12.674 1.00 0.00 C ATOM 237 CG ASP A 14 -6.455 9.244 13.575 1.00 0.00 C ATOM 238 OD1 ASP A 14 -6.407 10.442 13.242 1.00 0.00 O ATOM 239 OD2 ASP A 14 -7.040 8.881 14.619 1.00 0.00 O ATOM 0 H ASP A 14 -4.371 6.632 11.349 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.763 9.023 12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.964 8.439 11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.234 7.217 12.857 1.00 0.00 H new ATOM 244 N ARG A 15 -3.911 6.405 14.639 1.00 0.00 N ATOM 245 CA ARG A 15 -3.602 5.887 15.983 1.00 0.00 C ATOM 246 C ARG A 15 -2.159 6.269 16.389 1.00 0.00 C ATOM 247 O ARG A 15 -1.953 6.963 17.397 1.00 0.00 O ATOM 248 CB ARG A 15 -3.826 4.356 16.093 1.00 0.00 C ATOM 249 CG ARG A 15 -3.678 3.817 17.538 1.00 0.00 C ATOM 250 CD ARG A 15 -4.659 4.486 18.523 1.00 0.00 C ATOM 251 NE ARG A 15 -4.278 4.262 19.930 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.087 5.233 20.839 1.00 0.00 C ATOM 253 NH1 ARG A 15 -4.286 6.512 20.524 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.706 4.921 22.062 1.00 0.00 N ATOM 0 H ARG A 15 -4.095 5.681 13.945 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.298 6.354 16.680 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.822 4.114 15.723 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.113 3.844 15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.845 2.740 17.539 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.656 3.981 17.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.696 5.557 18.325 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.663 4.096 18.354 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.150 3.297 20.236 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.587 6.765 19.583 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.137 7.239 21.224 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.557 3.945 22.316 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.560 5.656 22.754 1.00 0.00 H new ATOM 268 N LEU A 16 -1.175 5.843 15.571 1.00 0.00 N ATOM 269 CA LEU A 16 0.257 6.075 15.853 1.00 0.00 C ATOM 270 C LEU A 16 0.590 7.588 15.801 1.00 0.00 C ATOM 271 O LEU A 16 1.348 8.080 16.634 1.00 0.00 O ATOM 272 CB LEU A 16 1.121 5.245 14.840 1.00 0.00 C ATOM 273 CG LEU A 16 2.626 4.947 15.213 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.553 6.178 15.060 1.00 0.00 C ATOM 275 CD2 LEU A 16 2.736 4.338 16.630 1.00 0.00 C ATOM 0 H LEU A 16 -1.348 5.333 14.704 1.00 0.00 H new ATOM 0 HA LEU A 16 0.493 5.738 16.862 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.622 4.289 14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.112 5.771 13.886 1.00 0.00 H new ATOM 0 HG LEU A 16 2.979 4.213 14.489 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.572 5.902 15.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.534 6.521 14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.206 6.978 15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.783 4.142 16.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.327 5.037 17.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.175 3.404 16.669 1.00 0.00 H new ATOM 287 N ASP A 17 0.024 8.296 14.810 1.00 0.00 N ATOM 288 CA ASP A 17 0.186 9.760 14.640 1.00 0.00 C ATOM 289 C ASP A 17 -0.256 10.535 15.896 1.00 0.00 C ATOM 290 O ASP A 17 0.486 11.384 16.398 1.00 0.00 O ATOM 291 CB ASP A 17 -0.608 10.236 13.400 1.00 0.00 C ATOM 292 CG ASP A 17 -0.493 11.751 13.135 1.00 0.00 C ATOM 293 OD1 ASP A 17 0.590 12.202 12.709 1.00 0.00 O ATOM 294 OD2 ASP A 17 -1.486 12.490 13.335 1.00 0.00 O ATOM 0 H ASP A 17 -0.565 7.870 14.095 1.00 0.00 H new ATOM 0 HA ASP A 17 1.246 9.966 14.490 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.254 9.695 12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.659 9.978 13.531 1.00 0.00 H new ATOM 299 N ALA A 18 -1.491 10.276 16.357 1.00 0.00 N ATOM 300 CA ALA A 18 -2.005 10.784 17.640 1.00 0.00 C ATOM 301 C ALA A 18 -1.079 10.439 18.820 1.00 0.00 C ATOM 302 O ALA A 18 -0.916 11.262 19.709 1.00 0.00 O ATOM 303 CB ALA A 18 -3.415 10.258 17.896 1.00 0.00 C ATOM 0 H ALA A 18 -2.165 9.705 15.847 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.037 11.871 17.565 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.780 10.643 18.848 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.077 10.586 17.094 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.397 9.169 17.928 1.00 0.00 H new ATOM 309 N ILE A 19 -0.453 9.235 18.780 1.00 0.00 N ATOM 310 CA ILE A 19 0.446 8.792 19.870 1.00 0.00 C ATOM 311 C ILE A 19 1.756 9.607 19.874 1.00 0.00 C ATOM 312 O ILE A 19 2.138 10.117 20.927 1.00 0.00 O ATOM 313 CB ILE A 19 0.725 7.229 19.854 1.00 0.00 C ATOM 314 CG1 ILE A 19 -0.573 6.453 20.267 1.00 0.00 C ATOM 315 CG2 ILE A 19 1.920 6.825 20.773 1.00 0.00 C ATOM 316 CD1 ILE A 19 -0.419 4.946 20.386 1.00 0.00 C ATOM 0 H ILE A 19 -0.553 8.565 18.017 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.079 8.989 20.805 1.00 0.00 H new ATOM 0 HB ILE A 19 1.006 6.957 18.837 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.920 6.843 21.224 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.352 6.665 19.535 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.067 5.746 20.725 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.825 7.330 20.436 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.703 7.116 21.801 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.373 4.505 20.676 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.106 4.535 19.426 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.332 4.716 21.142 1.00 0.00 H new ATOM 328 N ARG A 20 2.458 9.745 18.727 1.00 0.00 N ATOM 329 CA ARG A 20 3.705 10.518 18.614 1.00 0.00 C ATOM 330 C ARG A 20 3.500 12.032 18.817 1.00 0.00 C ATOM 331 O ARG A 20 4.416 12.695 19.292 1.00 0.00 O ATOM 332 CB ARG A 20 4.396 10.258 17.247 1.00 0.00 C ATOM 333 CG ARG A 20 3.554 10.681 16.027 1.00 0.00 C ATOM 334 CD ARG A 20 4.325 10.658 14.702 1.00 0.00 C ATOM 335 NE ARG A 20 5.404 11.666 14.681 1.00 0.00 N ATOM 336 CZ ARG A 20 5.870 12.289 13.589 1.00 0.00 C ATOM 337 NH1 ARG A 20 5.361 12.041 12.396 1.00 0.00 N ATOM 338 NH2 ARG A 20 6.846 13.173 13.708 1.00 0.00 N ATOM 0 H ARG A 20 2.168 9.317 17.848 1.00 0.00 H new ATOM 0 HA ARG A 20 4.349 10.170 19.421 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.345 10.794 17.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.627 9.196 17.165 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.692 10.019 15.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.169 11.687 16.195 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.750 9.667 14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.637 10.844 13.877 1.00 0.00 H new ATOM 0 HE ARG A 20 5.832 11.909 15.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.602 11.367 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.727 12.523 11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.240 13.377 14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.205 13.651 12.881 1.00 0.00 H new ATOM 352 N HIS A 21 2.324 12.598 18.454 1.00 0.00 N ATOM 353 CA HIS A 21 1.999 14.022 18.726 1.00 0.00 C ATOM 354 C HIS A 21 1.729 14.242 20.216 1.00 0.00 C ATOM 355 O HIS A 21 2.091 15.262 20.794 1.00 0.00 O ATOM 356 CB HIS A 21 0.755 14.442 17.909 1.00 0.00 C ATOM 357 CG HIS A 21 0.529 15.931 17.877 1.00 0.00 C ATOM 358 ND1 HIS A 21 -0.667 16.521 18.208 1.00 0.00 N ATOM 359 CD2 HIS A 21 1.363 16.947 17.548 1.00 0.00 C ATOM 360 CE1 HIS A 21 -0.559 17.827 18.085 1.00 0.00 C ATOM 361 NE2 HIS A 21 0.663 18.115 17.691 1.00 0.00 N ATOM 0 H HIS A 21 1.583 12.090 17.971 1.00 0.00 H new ATOM 0 HA HIS A 21 2.854 14.631 18.432 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.861 14.077 16.887 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.126 13.958 18.330 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.391 16.853 17.231 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -1.344 18.544 18.276 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.028 19.052 17.521 1.00 0.00 H new ATOM 370 N GLN A 22 1.050 13.257 20.772 1.00 0.00 N ATOM 371 CA GLN A 22 0.839 13.139 22.216 1.00 0.00 C ATOM 372 C GLN A 22 2.200 13.122 22.944 1.00 0.00 C ATOM 373 O GLN A 22 2.357 13.779 23.964 1.00 0.00 O ATOM 374 CB GLN A 22 -0.034 11.895 22.494 1.00 0.00 C ATOM 375 CG GLN A 22 0.072 11.256 23.871 1.00 0.00 C ATOM 376 CD GLN A 22 -0.835 10.030 23.978 1.00 0.00 C ATOM 377 OE1 GLN A 22 -0.364 8.893 23.484 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 -1.975 10.120 24.434 1.00 0.00 N flip ATOM 0 H GLN A 22 0.621 12.504 20.234 1.00 0.00 H new ATOM 0 HA GLN A 22 0.299 14.001 22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.076 12.172 22.331 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.214 11.137 21.751 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.105 10.966 24.063 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.202 11.983 24.635 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.306 11.010 24.807 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.588 9.305 24.439 1.00 0.00 H new ATOM 387 N GLN A 23 3.201 12.441 22.352 1.00 0.00 N ATOM 388 CA GLN A 23 4.578 12.399 22.881 1.00 0.00 C ATOM 389 C GLN A 23 5.413 13.618 22.442 1.00 0.00 C ATOM 390 O GLN A 23 6.528 13.796 22.913 1.00 0.00 O ATOM 391 CB GLN A 23 5.265 11.102 22.419 1.00 0.00 C ATOM 392 CG GLN A 23 4.621 9.831 22.972 1.00 0.00 C ATOM 393 CD GLN A 23 5.294 8.566 22.467 1.00 0.00 C ATOM 394 OE1 GLN A 23 4.915 8.026 21.435 1.00 0.00 O ATOM 395 NE2 GLN A 23 6.280 8.073 23.199 1.00 0.00 N ATOM 0 H GLN A 23 3.077 11.905 21.493 1.00 0.00 H new ATOM 0 HA GLN A 23 4.514 12.426 23.969 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.249 11.062 21.330 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.312 11.129 22.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.664 9.851 24.061 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.567 9.812 22.695 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.569 8.550 24.053 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.751 7.216 22.909 1.00 0.00 H new ATOM 404 N ALA A 24 4.925 14.376 21.454 1.00 0.00 N ATOM 405 CA ALA A 24 5.477 15.712 21.145 1.00 0.00 C ATOM 406 C ALA A 24 5.203 16.685 22.299 1.00 0.00 C ATOM 407 O ALA A 24 6.098 17.407 22.738 1.00 0.00 O ATOM 408 CB ALA A 24 4.929 16.245 19.810 1.00 0.00 C ATOM 0 H ALA A 24 4.151 14.094 20.853 1.00 0.00 H new ATOM 0 HA ALA A 24 6.557 15.621 21.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.353 17.229 19.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.202 15.562 19.006 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.843 16.322 19.867 1.00 0.00 H new ATOM 414 N ASP A 25 3.934 16.727 22.732 1.00 0.00 N ATOM 415 CA ASP A 25 3.548 17.484 23.945 1.00 0.00 C ATOM 416 C ASP A 25 4.280 16.978 25.214 1.00 0.00 C ATOM 417 O ASP A 25 4.556 17.755 26.127 1.00 0.00 O ATOM 418 CB ASP A 25 2.016 17.403 24.143 1.00 0.00 C ATOM 419 CG ASP A 25 1.220 18.011 22.968 1.00 0.00 C ATOM 420 OD1 ASP A 25 1.233 19.252 22.813 1.00 0.00 O ATOM 421 OD2 ASP A 25 0.570 17.261 22.204 1.00 0.00 O ATOM 0 H ASP A 25 3.159 16.252 22.269 1.00 0.00 H new ATOM 0 HA ASP A 25 3.848 18.521 23.796 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.727 16.360 24.269 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.747 17.921 25.063 1.00 0.00 H new ATOM 426 N LEU A 26 4.622 15.680 25.222 1.00 0.00 N ATOM 427 CA LEU A 26 5.261 15.063 26.418 1.00 0.00 C ATOM 428 C LEU A 26 6.777 14.952 26.239 1.00 0.00 C ATOM 429 O LEU A 26 7.246 14.271 25.339 1.00 0.00 O ATOM 430 CB LEU A 26 4.655 13.673 26.716 1.00 0.00 C ATOM 431 CG LEU A 26 3.112 13.643 26.937 1.00 0.00 C ATOM 432 CD1 LEU A 26 2.629 12.239 27.308 1.00 0.00 C ATOM 433 CD2 LEU A 26 2.646 14.686 27.969 1.00 0.00 C ATOM 0 H LEU A 26 4.476 15.042 24.440 1.00 0.00 H new ATOM 0 HA LEU A 26 5.063 15.716 27.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.898 13.006 25.889 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.139 13.269 27.605 1.00 0.00 H new ATOM 0 HG LEU A 26 2.654 13.915 25.986 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.549 12.253 27.455 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.877 11.545 26.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.117 11.918 28.229 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.564 14.624 28.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.127 14.490 28.927 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.917 15.684 27.625 1.00 0.00 H new ATOM 445 N SER A 27 7.538 15.610 27.115 1.00 0.00 N ATOM 446 CA SER A 27 9.007 15.502 27.107 1.00 0.00 C ATOM 447 C SER A 27 9.432 14.287 27.934 1.00 0.00 C ATOM 448 O SER A 27 8.708 13.850 28.835 1.00 0.00 O ATOM 449 CB SER A 27 9.659 16.789 27.660 1.00 0.00 C ATOM 450 OG SER A 27 11.078 16.705 27.685 1.00 0.00 O ATOM 0 H SER A 27 7.167 16.224 27.840 1.00 0.00 H new ATOM 0 HA SER A 27 9.345 15.374 26.079 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.358 17.639 27.047 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.290 16.977 28.668 1.00 0.00 H new ATOM 0 HG SER A 27 11.449 17.540 28.040 1.00 0.00 H new ATOM 456 N LEU A 28 10.613 13.753 27.613 1.00 0.00 N ATOM 457 CA LEU A 28 11.239 12.661 28.380 1.00 0.00 C ATOM 458 C LEU A 28 11.673 13.141 29.788 1.00 0.00 C ATOM 459 O LEU A 28 11.883 12.327 30.685 1.00 0.00 O ATOM 460 CB LEU A 28 12.450 12.047 27.608 1.00 0.00 C ATOM 461 CG LEU A 28 13.765 12.901 27.498 1.00 0.00 C ATOM 462 CD1 LEU A 28 14.922 12.060 26.908 1.00 0.00 C ATOM 463 CD2 LEU A 28 13.559 14.191 26.669 1.00 0.00 C ATOM 0 H LEU A 28 11.167 14.062 26.814 1.00 0.00 H new ATOM 0 HA LEU A 28 10.489 11.880 28.506 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.705 11.101 28.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.118 11.814 26.596 1.00 0.00 H new ATOM 0 HG LEU A 28 14.030 13.204 28.511 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.821 12.673 26.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.114 11.203 27.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.647 11.711 25.913 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.496 14.747 26.622 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.242 13.928 25.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.794 14.808 27.140 1.00 0.00 H new ATOM 475 N VAL A 29 11.805 14.481 29.958 1.00 0.00 N ATOM 476 CA VAL A 29 12.178 15.111 31.246 1.00 0.00 C ATOM 477 C VAL A 29 10.948 15.233 32.169 1.00 0.00 C ATOM 478 O VAL A 29 11.007 14.869 33.344 1.00 0.00 O ATOM 479 CB VAL A 29 12.812 16.541 31.019 1.00 0.00 C ATOM 480 CG1 VAL A 29 13.237 17.214 32.356 1.00 0.00 C ATOM 481 CG2 VAL A 29 14.004 16.459 30.035 1.00 0.00 C ATOM 0 H VAL A 29 11.656 15.153 29.205 1.00 0.00 H new ATOM 0 HA VAL A 29 12.921 14.471 31.721 1.00 0.00 H new ATOM 0 HB VAL A 29 12.040 17.172 30.578 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.667 18.194 32.149 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.364 17.329 32.999 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.978 16.591 32.857 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.427 17.453 29.892 1.00 0.00 H new ATOM 0 HG22 VAL A 29 14.767 15.796 30.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.659 16.070 29.077 1.00 0.00 H new ATOM 491 N GLU A 30 9.830 15.720 31.604 1.00 0.00 N ATOM 492 CA GLU A 30 8.606 16.018 32.402 1.00 0.00 C ATOM 493 C GLU A 30 7.735 14.766 32.573 1.00 0.00 C ATOM 494 O GLU A 30 6.930 14.683 33.505 1.00 0.00 O ATOM 495 CB GLU A 30 7.783 17.165 31.754 1.00 0.00 C ATOM 496 CG GLU A 30 7.162 16.818 30.386 1.00 0.00 C ATOM 497 CD GLU A 30 6.483 18.013 29.702 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.370 18.383 30.114 1.00 0.00 O ATOM 499 OE2 GLU A 30 7.061 18.584 28.751 1.00 0.00 O ATOM 0 H GLU A 30 9.738 15.918 30.608 1.00 0.00 H new ATOM 0 HA GLU A 30 8.931 16.344 33.390 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.984 17.452 32.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.429 18.035 31.635 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.941 16.428 29.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.430 16.022 30.520 1.00 0.00 H new ATOM 506 N ALA A 31 7.910 13.799 31.667 1.00 0.00 N ATOM 507 CA ALA A 31 7.128 12.563 31.654 1.00 0.00 C ATOM 508 C ALA A 31 8.063 11.366 31.447 1.00 0.00 C ATOM 509 O ALA A 31 7.938 10.633 30.483 1.00 0.00 O ATOM 510 CB ALA A 31 6.022 12.655 30.573 1.00 0.00 C ATOM 0 H ALA A 31 8.602 13.854 30.919 1.00 0.00 H new ATOM 0 HA ALA A 31 6.627 12.419 32.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.442 11.732 30.567 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.365 13.495 30.796 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.480 12.802 29.595 1.00 0.00 H new ATOM 516 N ALA A 32 8.993 11.150 32.393 1.00 0.00 N ATOM 517 CA ALA A 32 9.935 10.001 32.374 1.00 0.00 C ATOM 518 C ALA A 32 9.221 8.737 32.907 1.00 0.00 C ATOM 519 O ALA A 32 9.716 8.027 33.791 1.00 0.00 O ATOM 520 CB ALA A 32 11.191 10.347 33.198 1.00 0.00 C ATOM 0 H ALA A 32 9.119 11.765 33.197 1.00 0.00 H new ATOM 0 HA ALA A 32 10.256 9.795 31.353 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.880 9.503 33.183 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.679 11.222 32.768 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.903 10.562 34.227 1.00 0.00 H new ATOM 526 N ASP A 33 8.052 8.470 32.307 1.00 0.00 N ATOM 527 CA ASP A 33 7.042 7.528 32.765 1.00 0.00 C ATOM 528 C ASP A 33 5.986 7.435 31.652 1.00 0.00 C ATOM 529 O ASP A 33 6.047 6.526 30.845 1.00 0.00 O ATOM 530 CB ASP A 33 6.408 7.941 34.129 1.00 0.00 C ATOM 531 CG ASP A 33 5.282 6.986 34.585 1.00 0.00 C ATOM 532 OD1 ASP A 33 5.578 5.962 35.230 1.00 0.00 O ATOM 533 OD2 ASP A 33 4.098 7.250 34.289 1.00 0.00 O ATOM 0 H ASP A 33 7.779 8.936 31.442 1.00 0.00 H new ATOM 0 HA ASP A 33 7.498 6.556 32.953 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.186 7.967 34.892 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.008 8.952 34.047 1.00 0.00 H new ATOM 538 N LYS A 34 5.051 8.412 31.617 1.00 0.00 N ATOM 539 CA LYS A 34 4.002 8.493 30.578 1.00 0.00 C ATOM 540 C LYS A 34 4.595 8.445 29.150 1.00 0.00 C ATOM 541 O LYS A 34 4.152 7.650 28.329 1.00 0.00 O ATOM 542 CB LYS A 34 3.151 9.769 30.783 1.00 0.00 C ATOM 543 CG LYS A 34 1.930 9.891 29.850 1.00 0.00 C ATOM 544 CD LYS A 34 0.878 8.781 30.077 1.00 0.00 C ATOM 545 CE LYS A 34 -0.237 8.807 29.019 1.00 0.00 C ATOM 546 NZ LYS A 34 -1.278 7.783 29.270 1.00 0.00 N ATOM 0 H LYS A 34 5.003 9.163 32.306 1.00 0.00 H new ATOM 0 HA LYS A 34 3.360 7.619 30.682 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.805 9.795 31.816 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.789 10.641 30.639 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.461 10.863 30.001 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.267 9.857 28.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.370 7.808 30.059 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.438 8.898 31.068 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.698 9.794 29.006 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.198 8.645 28.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.007 7.840 28.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.845 6.837 29.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.714 7.951 30.199 1.00 0.00 H new ATOM 560 N TYR A 35 5.646 9.261 28.915 1.00 0.00 N ATOM 561 CA TYR A 35 6.355 9.307 27.609 1.00 0.00 C ATOM 562 C TYR A 35 6.978 7.928 27.308 1.00 0.00 C ATOM 563 O TYR A 35 6.931 7.464 26.173 1.00 0.00 O ATOM 564 CB TYR A 35 7.448 10.408 27.601 1.00 0.00 C ATOM 565 CG TYR A 35 8.270 10.527 26.306 1.00 0.00 C ATOM 566 CD1 TYR A 35 7.798 11.248 25.218 1.00 0.00 C ATOM 567 CD2 TYR A 35 9.532 9.921 26.181 1.00 0.00 C ATOM 568 CE1 TYR A 35 8.535 11.359 24.060 1.00 0.00 C ATOM 569 CE2 TYR A 35 10.269 10.030 25.018 1.00 0.00 C ATOM 570 CZ TYR A 35 9.768 10.754 23.965 1.00 0.00 C ATOM 571 OH TYR A 35 10.492 10.874 22.798 1.00 0.00 O ATOM 0 H TYR A 35 6.026 9.900 29.613 1.00 0.00 H new ATOM 0 HA TYR A 35 5.631 9.553 26.832 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.971 11.368 27.795 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.133 10.219 28.428 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.834 11.731 25.281 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.934 9.359 27.011 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.145 11.922 23.225 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.233 9.549 24.938 1.00 0.00 H new ATOM 0 HH TYR A 35 11.341 10.392 22.889 1.00 0.00 H new ATOM 581 N ALA A 36 7.521 7.292 28.368 1.00 0.00 N ATOM 582 CA ALA A 36 8.215 5.992 28.286 1.00 0.00 C ATOM 583 C ALA A 36 7.258 4.844 27.915 1.00 0.00 C ATOM 584 O ALA A 36 7.599 4.001 27.079 1.00 0.00 O ATOM 585 CB ALA A 36 8.931 5.697 29.612 1.00 0.00 C ATOM 0 H ALA A 36 7.489 7.672 29.314 1.00 0.00 H new ATOM 0 HA ALA A 36 8.953 6.059 27.486 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.441 4.736 29.544 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.660 6.481 29.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.201 5.664 30.420 1.00 0.00 H new ATOM 591 N GLU A 37 6.047 4.821 28.499 1.00 0.00 N ATOM 592 CA GLU A 37 5.024 3.813 28.233 1.00 0.00 C ATOM 593 C GLU A 37 4.459 3.983 26.836 1.00 0.00 C ATOM 594 O GLU A 37 4.235 3.023 26.165 1.00 0.00 O ATOM 595 CB GLU A 37 3.894 3.880 29.294 1.00 0.00 C ATOM 596 CG GLU A 37 4.376 3.875 30.761 1.00 0.00 C ATOM 597 CD GLU A 37 5.415 2.781 31.081 1.00 0.00 C ATOM 598 OE1 GLU A 37 5.053 1.585 31.098 1.00 0.00 O ATOM 599 OE2 GLU A 37 6.604 3.112 31.318 1.00 0.00 O ATOM 0 H GLU A 37 5.753 5.520 29.182 1.00 0.00 H new ATOM 0 HA GLU A 37 5.490 2.830 28.297 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.308 4.783 29.123 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.225 3.033 29.144 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.807 4.849 30.993 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.514 3.744 31.415 1.00 0.00 H new ATOM 606 N LEU A 38 4.164 5.221 26.476 1.00 0.00 N ATOM 607 CA LEU A 38 3.776 5.579 25.100 1.00 0.00 C ATOM 608 C LEU A 38 4.827 5.145 24.036 1.00 0.00 C ATOM 609 O LEU A 38 4.461 4.815 22.915 1.00 0.00 O ATOM 610 CB LEU A 38 3.467 7.076 25.029 1.00 0.00 C ATOM 611 CG LEU A 38 2.271 7.534 25.916 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.107 9.056 25.871 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.962 6.802 25.536 1.00 0.00 C ATOM 0 H LEU A 38 4.183 6.012 27.119 1.00 0.00 H new ATOM 0 HA LEU A 38 2.874 5.020 24.850 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.356 7.632 25.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.257 7.341 23.993 1.00 0.00 H new ATOM 0 HG LEU A 38 2.497 7.258 26.946 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.265 9.350 26.498 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.017 9.531 26.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.922 9.372 24.844 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.152 7.149 26.177 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.716 7.012 24.495 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.094 5.728 25.668 1.00 0.00 H new ATOM 625 N GLU A 39 6.126 5.226 24.393 1.00 0.00 N ATOM 626 CA GLU A 39 7.239 4.608 23.607 1.00 0.00 C ATOM 627 C GLU A 39 7.084 3.065 23.489 1.00 0.00 C ATOM 628 O GLU A 39 7.458 2.479 22.480 1.00 0.00 O ATOM 629 CB GLU A 39 8.618 4.960 24.244 1.00 0.00 C ATOM 630 CG GLU A 39 9.076 6.426 24.065 1.00 0.00 C ATOM 631 CD GLU A 39 9.481 6.768 22.622 1.00 0.00 C ATOM 632 OE1 GLU A 39 8.598 7.050 21.783 1.00 0.00 O ATOM 633 OE2 GLU A 39 10.687 6.730 22.313 1.00 0.00 O ATOM 0 H GLU A 39 6.442 5.717 25.229 1.00 0.00 H new ATOM 0 HA GLU A 39 7.191 5.023 22.600 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.574 4.739 25.310 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.376 4.305 23.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.270 7.091 24.375 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.921 6.618 24.727 1.00 0.00 H new ATOM 640 N LYS A 40 6.584 2.458 24.566 1.00 0.00 N ATOM 641 CA LYS A 40 6.309 0.989 24.625 1.00 0.00 C ATOM 642 C LYS A 40 5.076 0.612 23.745 1.00 0.00 C ATOM 643 O LYS A 40 5.136 -0.323 22.943 1.00 0.00 O ATOM 644 CB LYS A 40 6.118 0.514 26.083 1.00 0.00 C ATOM 645 CG LYS A 40 7.320 0.810 27.005 1.00 0.00 C ATOM 646 CD LYS A 40 7.068 0.371 28.465 1.00 0.00 C ATOM 647 CE LYS A 40 8.233 0.725 29.407 1.00 0.00 C ATOM 648 NZ LYS A 40 7.906 0.439 30.828 1.00 0.00 N ATOM 0 H LYS A 40 6.353 2.953 25.428 1.00 0.00 H new ATOM 0 HA LYS A 40 7.179 0.472 24.219 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.230 0.993 26.496 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.930 -0.560 26.082 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.202 0.297 26.622 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.537 1.878 26.982 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.156 0.845 28.829 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.900 -0.706 28.491 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.118 0.159 29.118 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.480 1.781 29.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.753 0.081 31.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.583 1.312 31.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.152 -0.276 30.874 1.00 0.00 H new ATOM 662 N GLU A 41 3.958 1.330 23.982 1.00 0.00 N ATOM 663 CA GLU A 41 2.711 1.237 23.180 1.00 0.00 C ATOM 664 C GLU A 41 3.013 1.398 21.680 1.00 0.00 C ATOM 665 O GLU A 41 2.460 0.688 20.837 1.00 0.00 O ATOM 666 CB GLU A 41 1.694 2.332 23.620 1.00 0.00 C ATOM 667 CG GLU A 41 1.292 2.293 25.106 1.00 0.00 C ATOM 668 CD GLU A 41 0.734 0.935 25.554 1.00 0.00 C ATOM 669 OE1 GLU A 41 -0.450 0.650 25.276 1.00 0.00 O ATOM 670 OE2 GLU A 41 1.471 0.152 26.190 1.00 0.00 O ATOM 0 H GLU A 41 3.891 2.002 24.747 1.00 0.00 H new ATOM 0 HA GLU A 41 2.278 0.252 23.353 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.121 3.311 23.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.794 2.234 23.014 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.161 2.539 25.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.544 3.064 25.292 1.00 0.00 H new ATOM 677 N LYS A 42 3.881 2.378 21.400 1.00 0.00 N ATOM 678 CA LYS A 42 4.403 2.628 20.055 1.00 0.00 C ATOM 679 C LYS A 42 5.177 1.385 19.582 1.00 0.00 C ATOM 680 O LYS A 42 4.819 0.798 18.590 1.00 0.00 O ATOM 681 CB LYS A 42 5.316 3.879 20.024 1.00 0.00 C ATOM 682 CG LYS A 42 5.943 4.174 18.641 1.00 0.00 C ATOM 683 CD LYS A 42 6.959 5.330 18.675 1.00 0.00 C ATOM 684 CE LYS A 42 6.323 6.673 19.056 1.00 0.00 C ATOM 685 NZ LYS A 42 7.329 7.757 19.175 1.00 0.00 N ATOM 0 H LYS A 42 4.241 3.021 22.105 1.00 0.00 H new ATOM 0 HA LYS A 42 3.567 2.822 19.383 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.736 4.746 20.339 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.116 3.749 20.753 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.437 3.275 18.273 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.150 4.415 17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.748 5.092 19.388 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.430 5.422 17.696 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.582 6.948 18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.793 6.566 20.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.846 8.678 19.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.874 7.630 20.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.973 7.724 18.359 1.00 0.00 H new ATOM 699 N ALA A 43 6.206 1.002 20.362 1.00 0.00 N ATOM 700 CA ALA A 43 7.132 -0.128 20.072 1.00 0.00 C ATOM 701 C ALA A 43 6.394 -1.423 19.649 1.00 0.00 C ATOM 702 O ALA A 43 6.803 -2.092 18.688 1.00 0.00 O ATOM 703 CB ALA A 43 8.040 -0.409 21.285 1.00 0.00 C ATOM 0 H ALA A 43 6.429 1.478 21.236 1.00 0.00 H new ATOM 0 HA ALA A 43 7.741 0.183 19.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.709 -1.238 21.054 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.628 0.480 21.513 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.426 -0.668 22.147 1.00 0.00 H new ATOM 709 N THR A 44 5.276 -1.734 20.329 1.00 0.00 N ATOM 710 CA THR A 44 4.425 -2.905 20.098 1.00 0.00 C ATOM 711 C THR A 44 3.502 -2.683 18.899 1.00 0.00 C ATOM 712 O THR A 44 3.311 -3.599 18.108 1.00 0.00 O ATOM 713 CB THR A 44 3.584 -3.240 21.371 1.00 0.00 C ATOM 714 OG1 THR A 44 4.447 -3.287 22.511 1.00 0.00 O ATOM 715 CG2 THR A 44 2.842 -4.590 21.250 1.00 0.00 C ATOM 0 H THR A 44 4.929 -1.147 21.088 1.00 0.00 H new ATOM 0 HA THR A 44 5.076 -3.751 19.879 1.00 0.00 H new ATOM 0 HB THR A 44 2.835 -2.456 21.480 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.735 -2.379 22.741 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.273 -4.775 22.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.163 -4.557 20.398 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.566 -5.392 21.106 1.00 0.00 H new ATOM 723 N LEU A 45 2.885 -1.481 18.842 1.00 0.00 N ATOM 724 CA LEU A 45 2.095 -1.081 17.644 1.00 0.00 C ATOM 725 C LEU A 45 2.903 -1.328 16.365 1.00 0.00 C ATOM 726 O LEU A 45 2.401 -1.938 15.435 1.00 0.00 O ATOM 727 CB LEU A 45 1.609 0.405 17.677 1.00 0.00 C ATOM 728 CG LEU A 45 0.182 0.663 18.258 1.00 0.00 C ATOM 729 CD1 LEU A 45 -0.180 2.157 18.182 1.00 0.00 C ATOM 730 CD2 LEU A 45 -0.883 -0.197 17.536 1.00 0.00 C ATOM 0 H LEU A 45 2.913 -0.785 19.587 1.00 0.00 H new ATOM 0 HA LEU A 45 1.201 -1.704 17.655 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.324 0.984 18.261 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.638 0.795 16.660 1.00 0.00 H new ATOM 0 HG LEU A 45 0.194 0.368 19.307 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.178 2.311 18.592 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.542 2.736 18.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.161 2.484 17.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.865 0.006 17.963 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.891 0.050 16.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.644 -1.253 17.661 1.00 0.00 H new ATOM 742 N GLU A 46 4.151 -0.844 16.355 1.00 0.00 N ATOM 743 CA GLU A 46 5.111 -1.051 15.275 1.00 0.00 C ATOM 744 C GLU A 46 5.335 -2.559 15.035 1.00 0.00 C ATOM 745 O GLU A 46 4.867 -3.079 14.022 1.00 0.00 O ATOM 746 CB GLU A 46 6.436 -0.305 15.591 1.00 0.00 C ATOM 747 CG GLU A 46 6.267 1.217 15.840 1.00 0.00 C ATOM 748 CD GLU A 46 7.586 1.952 16.140 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.197 1.693 17.202 1.00 0.00 O ATOM 750 OE2 GLU A 46 8.019 2.793 15.316 1.00 0.00 O ATOM 0 H GLU A 46 4.526 -0.283 17.120 1.00 0.00 H new ATOM 0 HA GLU A 46 4.711 -0.634 14.350 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.893 -0.757 16.471 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.128 -0.451 14.762 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.802 1.669 14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.583 1.364 16.675 1.00 0.00 H new ATOM 757 N ALA A 47 6.086 -3.241 15.943 1.00 0.00 N ATOM 758 CA ALA A 47 6.297 -4.719 16.008 1.00 0.00 C ATOM 759 C ALA A 47 5.121 -5.554 15.420 1.00 0.00 C ATOM 760 O ALA A 47 5.346 -6.465 14.635 1.00 0.00 O ATOM 761 CB ALA A 47 6.560 -5.132 17.466 1.00 0.00 C ATOM 0 H ALA A 47 6.586 -2.754 16.687 1.00 0.00 H new ATOM 0 HA ALA A 47 7.161 -4.939 15.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.714 -6.210 17.517 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.449 -4.620 17.834 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.703 -4.859 18.082 1.00 0.00 H new ATOM 767 N GLU A 48 3.880 -5.207 15.796 1.00 0.00 N ATOM 768 CA GLU A 48 2.613 -5.761 15.277 1.00 0.00 C ATOM 769 C GLU A 48 2.427 -5.445 13.782 1.00 0.00 C ATOM 770 O GLU A 48 2.499 -6.325 12.946 1.00 0.00 O ATOM 771 CB GLU A 48 1.447 -5.137 16.106 1.00 0.00 C ATOM 772 CG GLU A 48 0.030 -5.572 15.700 1.00 0.00 C ATOM 773 CD GLU A 48 -0.321 -6.988 16.191 1.00 0.00 C ATOM 774 OE1 GLU A 48 0.018 -7.974 15.506 1.00 0.00 O ATOM 775 OE2 GLU A 48 -0.906 -7.129 17.287 1.00 0.00 O ATOM 0 H GLU A 48 3.722 -4.494 16.508 1.00 0.00 H new ATOM 0 HA GLU A 48 2.624 -6.847 15.375 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.597 -5.389 17.156 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.510 -4.052 16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.693 -4.863 16.103 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.060 -5.536 14.614 1.00 0.00 H new ATOM 782 N ILE A 49 2.237 -4.148 13.501 1.00 0.00 N ATOM 783 CA ILE A 49 1.973 -3.653 12.124 1.00 0.00 C ATOM 784 C ILE A 49 3.178 -3.886 11.170 1.00 0.00 C ATOM 785 O ILE A 49 3.054 -3.657 9.981 1.00 0.00 O ATOM 786 CB ILE A 49 1.532 -2.139 12.065 1.00 0.00 C ATOM 787 CG1 ILE A 49 2.745 -1.195 12.352 1.00 0.00 C ATOM 788 CG2 ILE A 49 0.342 -1.864 13.028 1.00 0.00 C ATOM 789 CD1 ILE A 49 2.438 0.287 12.318 1.00 0.00 C ATOM 0 H ILE A 49 2.260 -3.412 14.207 1.00 0.00 H new ATOM 0 HA ILE A 49 1.129 -4.250 11.779 1.00 0.00 H new ATOM 0 HB ILE A 49 1.183 -1.924 11.055 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.151 -1.442 13.333 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.527 -1.404 11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.059 -0.813 12.966 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.507 -2.485 12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.639 -2.101 14.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.346 0.852 12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.064 0.558 11.331 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.683 0.519 13.069 1.00 0.00 H new ATOM 801 N ALA A 50 4.308 -4.415 11.677 1.00 0.00 N ATOM 802 CA ALA A 50 5.539 -4.665 10.916 1.00 0.00 C ATOM 803 C ALA A 50 5.714 -6.187 10.741 1.00 0.00 C ATOM 804 O ALA A 50 6.347 -6.635 9.810 1.00 0.00 O ATOM 805 CB ALA A 50 6.742 -4.051 11.643 1.00 0.00 C ATOM 0 H ALA A 50 4.388 -4.687 12.657 1.00 0.00 H new ATOM 0 HA ALA A 50 5.472 -4.199 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.650 -4.242 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.596 -2.975 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.836 -4.498 12.632 1.00 0.00 H new ATOM 811 N ARG A 51 5.204 -6.937 11.731 1.00 0.00 N ATOM 812 CA ARG A 51 4.977 -8.406 11.661 1.00 0.00 C ATOM 813 C ARG A 51 3.965 -8.686 10.528 1.00 0.00 C ATOM 814 O ARG A 51 4.156 -9.554 9.658 1.00 0.00 O ATOM 815 CB ARG A 51 4.460 -8.967 13.017 1.00 0.00 C ATOM 816 CG ARG A 51 4.374 -10.507 13.087 1.00 0.00 C ATOM 817 CD ARG A 51 5.746 -11.176 12.922 1.00 0.00 C ATOM 818 NE ARG A 51 5.652 -12.646 12.917 1.00 0.00 N ATOM 819 CZ ARG A 51 6.626 -13.480 12.519 1.00 0.00 C ATOM 820 NH1 ARG A 51 7.790 -13.015 12.073 1.00 0.00 N ATOM 821 NH2 ARG A 51 6.422 -14.789 12.563 1.00 0.00 N ATOM 0 H ARG A 51 4.928 -6.537 12.628 1.00 0.00 H new ATOM 0 HA ARG A 51 5.921 -8.909 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.116 -8.617 13.814 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.471 -8.552 13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.942 -10.801 14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.701 -10.867 12.309 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.202 -10.840 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.403 -10.859 13.732 1.00 0.00 H new ATOM 0 HE ARG A 51 4.779 -13.063 13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.954 -12.009 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.518 -13.664 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.531 -15.155 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.156 -15.430 12.263 1.00 0.00 H new ATOM 835 N LEU A 52 2.900 -7.887 10.573 1.00 0.00 N ATOM 836 CA LEU A 52 1.886 -7.811 9.529 1.00 0.00 C ATOM 837 C LEU A 52 2.532 -7.367 8.209 1.00 0.00 C ATOM 838 O LEU A 52 2.434 -8.075 7.204 1.00 0.00 O ATOM 839 CB LEU A 52 0.705 -6.873 9.947 1.00 0.00 C ATOM 840 CG LEU A 52 -0.457 -7.543 10.760 1.00 0.00 C ATOM 841 CD1 LEU A 52 -1.112 -8.681 9.952 1.00 0.00 C ATOM 842 CD2 LEU A 52 0.018 -8.051 12.135 1.00 0.00 C ATOM 0 H LEU A 52 2.716 -7.260 11.357 1.00 0.00 H new ATOM 0 HA LEU A 52 1.457 -8.802 9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.111 -6.055 10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.282 -6.432 9.044 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.207 -6.773 10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.914 -9.129 10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.521 -8.280 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.365 -9.440 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.819 -8.507 12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.807 -8.791 11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.403 -7.215 12.719 1.00 0.00 H new ATOM 854 N ARG A 53 3.234 -6.214 8.196 1.00 0.00 N ATOM 855 CA ARG A 53 3.892 -5.701 6.988 1.00 0.00 C ATOM 856 C ARG A 53 5.198 -6.444 6.638 1.00 0.00 C ATOM 857 O ARG A 53 5.826 -6.080 5.657 1.00 0.00 O ATOM 858 CB ARG A 53 4.123 -4.164 7.068 1.00 0.00 C ATOM 859 CG ARG A 53 2.823 -3.317 6.949 1.00 0.00 C ATOM 860 CD ARG A 53 3.098 -1.799 6.983 1.00 0.00 C ATOM 861 NE ARG A 53 3.846 -1.348 5.789 1.00 0.00 N ATOM 862 CZ ARG A 53 4.580 -0.230 5.694 1.00 0.00 C ATOM 863 NH1 ARG A 53 4.787 0.542 6.744 1.00 0.00 N ATOM 864 NH2 ARG A 53 5.123 0.100 4.534 1.00 0.00 N ATOM 0 H ARG A 53 3.357 -5.622 9.017 1.00 0.00 H new ATOM 0 HA ARG A 53 3.200 -5.899 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.611 -3.930 8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.809 -3.869 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.313 -3.569 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.148 -3.578 7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.153 -1.260 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.664 -1.552 7.881 1.00 0.00 H new ATOM 0 HE ARG A 53 3.799 -1.943 4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.386 0.292 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.348 1.389 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.982 -0.495 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.682 0.949 4.456 1.00 0.00 H new ATOM 878 N GLU A 54 5.614 -7.487 7.405 1.00 0.00 N ATOM 879 CA GLU A 54 6.686 -8.400 6.938 1.00 0.00 C ATOM 880 C GLU A 54 6.020 -9.528 6.149 1.00 0.00 C ATOM 881 O GLU A 54 6.497 -9.871 5.078 1.00 0.00 O ATOM 882 CB GLU A 54 7.645 -8.928 8.053 1.00 0.00 C ATOM 883 CG GLU A 54 7.129 -10.061 8.956 1.00 0.00 C ATOM 884 CD GLU A 54 8.204 -10.592 9.916 1.00 0.00 C ATOM 885 OE1 GLU A 54 9.000 -11.463 9.512 1.00 0.00 O ATOM 886 OE2 GLU A 54 8.266 -10.136 11.076 1.00 0.00 O ATOM 0 H GLU A 54 5.234 -7.711 8.325 1.00 0.00 H new ATOM 0 HA GLU A 54 7.362 -7.829 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.562 -9.271 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.915 -8.086 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.278 -9.700 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.767 -10.880 8.334 1.00 0.00 H new ATOM 893 N VAL A 55 4.920 -10.131 6.692 1.00 0.00 N ATOM 894 CA VAL A 55 3.939 -10.830 5.802 1.00 0.00 C ATOM 895 C VAL A 55 3.602 -10.017 4.528 1.00 0.00 C ATOM 896 O VAL A 55 3.502 -10.575 3.441 1.00 0.00 O ATOM 897 CB VAL A 55 2.600 -11.197 6.555 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.638 -11.998 5.642 1.00 0.00 C ATOM 899 CG2 VAL A 55 2.875 -11.974 7.863 1.00 0.00 C ATOM 0 H VAL A 55 4.696 -10.150 7.687 1.00 0.00 H new ATOM 0 HA VAL A 55 4.437 -11.752 5.501 1.00 0.00 H new ATOM 0 HB VAL A 55 2.116 -10.256 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.727 -12.234 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.388 -11.402 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.121 -12.923 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.930 -12.209 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.404 -12.899 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.486 -11.363 8.528 1.00 0.00 H new ATOM 909 N HIS A 56 3.529 -8.683 4.672 1.00 0.00 N ATOM 910 CA HIS A 56 3.150 -7.812 3.530 1.00 0.00 C ATOM 911 C HIS A 56 4.413 -7.095 2.982 1.00 0.00 C ATOM 912 O HIS A 56 4.334 -5.980 2.469 1.00 0.00 O ATOM 913 CB HIS A 56 2.031 -6.810 3.931 1.00 0.00 C ATOM 914 CG HIS A 56 0.669 -7.437 4.118 1.00 0.00 C ATOM 915 ND1 HIS A 56 -0.434 -7.094 3.362 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.237 -8.394 4.979 1.00 0.00 C ATOM 917 CE1 HIS A 56 -1.471 -7.808 3.750 1.00 0.00 C ATOM 918 NE2 HIS A 56 -1.090 -8.604 4.726 1.00 0.00 N ATOM 0 H HIS A 56 3.721 -8.187 5.542 1.00 0.00 H new ATOM 0 HA HIS A 56 2.736 -8.428 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.319 -6.314 4.858 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.960 -6.038 3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.832 -8.897 5.727 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.467 -7.750 3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.688 -9.270 5.215 1.00 0.00 H new ATOM 927 N SER A 57 5.578 -7.780 3.087 1.00 0.00 N ATOM 928 CA SER A 57 6.860 -7.360 2.458 1.00 0.00 C ATOM 929 C SER A 57 7.452 -8.563 1.713 1.00 0.00 C ATOM 930 O SER A 57 7.789 -8.467 0.526 1.00 0.00 O ATOM 931 CB SER A 57 7.863 -6.828 3.507 1.00 0.00 C ATOM 932 OG SER A 57 9.103 -6.460 2.921 1.00 0.00 O ATOM 0 H SER A 57 5.658 -8.649 3.616 1.00 0.00 H new ATOM 0 HA SER A 57 6.664 -6.544 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.432 -5.965 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.033 -7.592 4.265 1.00 0.00 H new ATOM 0 HG SER A 57 9.708 -6.128 3.617 1.00 0.00 H new ATOM 938 N GLN A 58 7.578 -9.694 2.444 1.00 0.00 N ATOM 939 CA GLN A 58 7.892 -11.024 1.875 1.00 0.00 C ATOM 940 C GLN A 58 6.863 -11.351 0.777 1.00 0.00 C ATOM 941 O GLN A 58 7.205 -11.844 -0.299 1.00 0.00 O ATOM 942 CB GLN A 58 7.842 -12.106 2.991 1.00 0.00 C ATOM 943 CG GLN A 58 8.766 -11.832 4.206 1.00 0.00 C ATOM 944 CD GLN A 58 8.476 -12.738 5.409 1.00 0.00 C ATOM 945 OE1 GLN A 58 8.078 -13.888 5.255 1.00 0.00 O ATOM 946 NE2 GLN A 58 8.645 -12.216 6.613 1.00 0.00 N ATOM 0 H GLN A 58 7.463 -9.709 3.457 1.00 0.00 H new ATOM 0 HA GLN A 58 8.895 -11.013 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.815 -12.194 3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.113 -13.068 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.804 -11.967 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.655 -10.791 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.977 -11.257 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.443 -12.773 7.443 1.00 0.00 H new ATOM 955 N LYS A 59 5.596 -11.045 1.093 1.00 0.00 N ATOM 956 CA LYS A 59 4.493 -11.013 0.136 1.00 0.00 C ATOM 957 C LYS A 59 4.036 -9.551 0.052 1.00 0.00 C ATOM 958 O LYS A 59 3.014 -9.201 0.653 1.00 0.00 O ATOM 959 CB LYS A 59 3.330 -11.945 0.591 1.00 0.00 C ATOM 960 CG LYS A 59 3.751 -13.389 0.927 1.00 0.00 C ATOM 961 CD LYS A 59 2.620 -14.186 1.618 1.00 0.00 C ATOM 962 CE LYS A 59 3.042 -15.619 1.961 1.00 0.00 C ATOM 963 NZ LYS A 59 3.263 -16.442 0.749 1.00 0.00 N ATOM 0 H LYS A 59 5.309 -10.809 2.043 1.00 0.00 H new ATOM 0 HA LYS A 59 4.810 -11.378 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.855 -11.507 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.578 -11.975 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.046 -13.901 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.626 -13.368 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.320 -13.670 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.747 -14.213 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.957 -15.595 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.274 -16.084 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.480 -17.420 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.405 -16.432 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.059 -16.052 0.205 1.00 0.00 H new ATOM 977 N LEU A 60 4.853 -8.701 -0.640 1.00 0.00 N ATOM 978 CA LEU A 60 4.691 -7.204 -0.663 1.00 0.00 C ATOM 979 C LEU A 60 3.212 -6.808 -0.825 1.00 0.00 C ATOM 980 O LEU A 60 2.661 -6.018 -0.048 1.00 0.00 O ATOM 981 CB LEU A 60 5.599 -6.570 -1.775 1.00 0.00 C ATOM 982 CG LEU A 60 5.777 -4.991 -1.784 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.071 -4.572 -2.525 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.565 -4.249 -2.414 1.00 0.00 C ATOM 0 H LEU A 60 5.642 -9.028 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 60 5.021 -6.804 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.590 -7.017 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.196 -6.866 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 60 5.844 -4.698 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.162 -3.486 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.934 -5.014 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.029 -4.921 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.745 -3.174 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.436 -4.574 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.663 -4.478 -1.846 1.00 0.00 H new ATOM 996 N SER A 61 2.600 -7.397 -1.835 1.00 0.00 N ATOM 997 CA SER A 61 1.151 -7.434 -2.020 1.00 0.00 C ATOM 998 C SER A 61 0.836 -8.735 -2.757 1.00 0.00 C ATOM 999 O SER A 61 1.764 -9.473 -3.103 1.00 0.00 O ATOM 1000 CB SER A 61 0.662 -6.195 -2.808 1.00 0.00 C ATOM 1001 OG SER A 61 -0.750 -6.185 -2.946 1.00 0.00 O ATOM 0 H SER A 61 3.109 -7.880 -2.576 1.00 0.00 H new ATOM 0 HA SER A 61 0.631 -7.406 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.984 -5.288 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.124 -6.186 -3.795 1.00 0.00 H new ATOM 0 HG SER A 61 -1.024 -5.388 -3.447 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.451 -9.025 -2.983 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.854 -10.210 -3.756 1.00 0.00 C ATOM 1009 C LYS A 62 -0.285 -10.114 -5.188 1.00 0.00 C ATOM 1010 O LYS A 62 0.643 -10.867 -5.559 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.400 -10.360 -3.780 1.00 0.00 C ATOM 1012 CG LYS A 62 -3.037 -10.599 -2.396 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.585 -10.748 -2.430 1.00 0.00 C ATOM 1014 CE LYS A 62 -5.344 -9.440 -2.767 1.00 0.00 C ATOM 1015 NZ LYS A 62 -5.177 -8.999 -4.177 1.00 0.00 N ATOM 0 H LYS A 62 -1.229 -8.459 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.447 -11.099 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.834 -9.460 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.662 -11.190 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.605 -11.499 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.776 -9.769 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.849 -11.507 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.925 -11.112 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.405 -9.583 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.997 -8.648 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.091 -8.669 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.486 -8.223 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.837 -9.796 -4.752 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.850 -9.175 -5.977 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.462 -8.849 -7.352 1.00 0.00 C ATOM 1031 C GLU A 63 1.035 -8.612 -7.479 1.00 0.00 C ATOM 1032 O GLU A 63 1.651 -9.174 -8.356 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.200 -7.579 -7.845 1.00 0.00 C ATOM 1034 CG GLU A 63 -2.694 -7.757 -8.144 1.00 0.00 C ATOM 1035 CD GLU A 63 -3.553 -8.170 -6.927 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.529 -7.452 -5.900 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -4.235 -9.215 -6.978 1.00 0.00 O ATOM 0 H GLU A 63 -1.626 -8.600 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.739 -9.707 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.089 -6.800 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.707 -7.221 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.084 -6.822 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.807 -8.510 -8.923 1.00 0.00 H new ATOM 1044 N ALA A 64 1.600 -7.770 -6.600 1.00 0.00 N ATOM 1045 CA ALA A 64 3.014 -7.399 -6.669 1.00 0.00 C ATOM 1046 C ALA A 64 3.907 -8.654 -6.585 1.00 0.00 C ATOM 1047 O ALA A 64 4.709 -8.921 -7.485 1.00 0.00 O ATOM 1048 CB ALA A 64 3.363 -6.399 -5.557 1.00 0.00 C ATOM 0 H ALA A 64 1.092 -7.333 -5.831 1.00 0.00 H new ATOM 0 HA ALA A 64 3.200 -6.916 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.418 -6.134 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.756 -5.501 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.163 -6.851 -4.585 1.00 0.00 H new ATOM 1054 N GLN A 65 3.736 -9.394 -5.473 1.00 0.00 N ATOM 1055 CA GLN A 65 4.537 -10.613 -5.215 1.00 0.00 C ATOM 1056 C GLN A 65 4.483 -11.595 -6.423 1.00 0.00 C ATOM 1057 O GLN A 65 5.539 -12.142 -6.821 1.00 0.00 O ATOM 1058 CB GLN A 65 4.089 -11.309 -3.897 1.00 0.00 C ATOM 1059 CG GLN A 65 5.160 -12.199 -3.212 1.00 0.00 C ATOM 1060 CD GLN A 65 5.443 -13.541 -3.894 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.570 -14.161 -4.499 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.671 -13.989 -3.799 1.00 0.00 N ATOM 0 H GLN A 65 3.058 -9.175 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 65 5.576 -10.307 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.774 -10.541 -3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.214 -11.923 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.092 -11.637 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.844 -12.393 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.372 -13.451 -3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.925 -14.876 -4.234 1.00 0.00 H new ATOM 1071 N LYS A 66 3.297 -11.791 -7.075 1.00 0.00 N ATOM 1072 CA LYS A 66 3.179 -12.641 -8.276 1.00 0.00 C ATOM 1073 C LYS A 66 3.845 -11.991 -9.500 1.00 0.00 C ATOM 1074 O LYS A 66 4.449 -12.705 -10.308 1.00 0.00 O ATOM 1075 CB LYS A 66 1.719 -13.064 -8.580 1.00 0.00 C ATOM 1076 CG LYS A 66 0.842 -11.974 -9.183 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.531 -12.468 -9.647 1.00 0.00 C ATOM 1078 CE LYS A 66 -1.325 -11.322 -10.282 1.00 0.00 C ATOM 1079 NZ LYS A 66 -2.650 -11.764 -10.779 1.00 0.00 N ATOM 0 H LYS A 66 2.417 -11.367 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 66 3.721 -13.559 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.738 -13.913 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.257 -13.410 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.703 -11.184 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.363 -11.530 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.409 -13.277 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.083 -12.876 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.461 -10.527 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.752 -10.900 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.150 -10.955 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.522 -12.504 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.209 -12.143 -9.988 1.00 0.00 H new ATOM 1093 N LEU A 67 3.735 -10.638 -9.663 1.00 0.00 N ATOM 1094 CA LEU A 67 4.505 -9.881 -10.668 1.00 0.00 C ATOM 1095 C LEU A 67 6.012 -10.111 -10.532 1.00 0.00 C ATOM 1096 O LEU A 67 6.721 -10.066 -11.537 1.00 0.00 O ATOM 1097 CB LEU A 67 4.213 -8.343 -10.597 1.00 0.00 C ATOM 1098 CG LEU A 67 2.757 -7.867 -10.925 1.00 0.00 C ATOM 1099 CD1 LEU A 67 2.631 -6.320 -10.826 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.294 -8.372 -12.307 1.00 0.00 C ATOM 0 H LEU A 67 3.113 -10.057 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 67 4.177 -10.259 -11.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.461 -8.000 -9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.894 -7.839 -11.283 1.00 0.00 H new ATOM 0 HG LEU A 67 2.097 -8.304 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.609 -6.023 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.881 -5.999 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.315 -5.853 -11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.280 -8.023 -12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.963 -7.989 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.311 -9.462 -12.321 1.00 0.00 H new ATOM 1112 N MET A 68 6.517 -10.391 -9.309 1.00 0.00 N ATOM 1113 CA MET A 68 7.963 -10.546 -9.091 1.00 0.00 C ATOM 1114 C MET A 68 8.386 -11.962 -9.505 1.00 0.00 C ATOM 1115 O MET A 68 9.464 -12.154 -10.086 1.00 0.00 O ATOM 1116 CB MET A 68 8.299 -10.303 -7.600 1.00 0.00 C ATOM 1117 CG MET A 68 7.853 -8.935 -7.091 1.00 0.00 C ATOM 1118 SD MET A 68 8.056 -8.729 -5.314 1.00 0.00 S ATOM 1119 CE MET A 68 7.341 -7.103 -5.098 1.00 0.00 C ATOM 0 H MET A 68 5.948 -10.512 -8.471 1.00 0.00 H new ATOM 0 HA MET A 68 8.505 -9.817 -9.693 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.825 -11.078 -6.998 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.375 -10.402 -7.457 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.422 -8.161 -7.606 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.805 -8.784 -7.349 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.964 -7.004 -4.080 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.102 -6.344 -5.279 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.521 -6.970 -5.803 1.00 0.00 H new ATOM 1129 N LYS A 69 7.520 -12.960 -9.211 1.00 0.00 N ATOM 1130 CA LYS A 69 7.769 -14.371 -9.590 1.00 0.00 C ATOM 1131 C LYS A 69 7.128 -14.751 -10.959 1.00 0.00 C ATOM 1132 O LYS A 69 7.009 -15.948 -11.263 1.00 0.00 O ATOM 1133 CB LYS A 69 7.259 -15.316 -8.460 1.00 0.00 C ATOM 1134 CG LYS A 69 5.729 -15.288 -8.240 1.00 0.00 C ATOM 1135 CD LYS A 69 5.245 -16.318 -7.194 1.00 0.00 C ATOM 1136 CE LYS A 69 3.709 -16.367 -7.075 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.256 -17.422 -6.137 1.00 0.00 N ATOM 0 H LYS A 69 6.642 -12.814 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 69 8.845 -14.492 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.561 -16.337 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.752 -15.044 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.433 -14.289 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.228 -15.481 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.616 -17.306 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.673 -16.072 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.341 -15.399 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.275 -16.546 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.217 -17.420 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.584 -18.350 -6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.648 -17.238 -5.192 1.00 0.00 H new ATOM 1151 N MET A 70 6.743 -13.738 -11.787 1.00 0.00 N ATOM 1152 CA MET A 70 6.167 -13.964 -13.152 1.00 0.00 C ATOM 1153 C MET A 70 7.137 -14.772 -14.053 1.00 0.00 C ATOM 1154 O MET A 70 8.354 -14.697 -13.867 1.00 0.00 O ATOM 1155 CB MET A 70 5.811 -12.603 -13.849 1.00 0.00 C ATOM 1156 CG MET A 70 4.388 -12.083 -13.608 1.00 0.00 C ATOM 1157 SD MET A 70 3.118 -13.149 -14.334 1.00 0.00 S ATOM 1158 CE MET A 70 1.692 -12.056 -14.376 1.00 0.00 C ATOM 0 H MET A 70 6.820 -12.753 -11.534 1.00 0.00 H new ATOM 0 HA MET A 70 5.253 -14.544 -13.019 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.517 -11.846 -13.508 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.959 -12.716 -14.923 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.214 -11.998 -12.535 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.297 -11.081 -14.026 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.915 -12.496 -15.001 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.309 -11.918 -13.365 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.986 -11.090 -14.787 1.00 0.00 H new ATOM 1168 N PRO A 71 6.611 -15.585 -15.031 1.00 0.00 N ATOM 1169 CA PRO A 71 7.456 -16.265 -16.028 1.00 0.00 C ATOM 1170 C PRO A 71 8.008 -15.300 -17.108 1.00 0.00 C ATOM 1171 O PRO A 71 9.219 -15.054 -17.148 1.00 0.00 O ATOM 1172 CB PRO A 71 6.521 -17.351 -16.625 1.00 0.00 C ATOM 1173 CG PRO A 71 5.140 -16.803 -16.441 1.00 0.00 C ATOM 1174 CD PRO A 71 5.177 -15.965 -15.181 1.00 0.00 C ATOM 0 HA PRO A 71 8.357 -16.688 -15.583 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.740 -17.528 -17.678 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.641 -18.304 -16.110 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.844 -16.200 -17.300 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.411 -17.609 -16.350 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.540 -15.085 -15.270 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.823 -16.529 -14.318 1.00 0.00 H new ATOM 1182 N PHE A 72 7.127 -14.761 -17.982 1.00 0.00 N ATOM 1183 CA PHE A 72 7.551 -13.991 -19.173 1.00 0.00 C ATOM 1184 C PHE A 72 7.404 -12.504 -18.816 1.00 0.00 C ATOM 1185 O PHE A 72 6.293 -12.093 -18.503 1.00 0.00 O ATOM 1186 CB PHE A 72 6.661 -14.328 -20.396 1.00 0.00 C ATOM 1187 CG PHE A 72 6.598 -15.816 -20.747 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.621 -16.430 -21.470 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.520 -16.597 -20.346 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.547 -17.774 -21.792 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.447 -17.935 -20.671 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.465 -18.527 -21.388 1.00 0.00 C ATOM 0 H PHE A 72 6.115 -14.846 -17.884 1.00 0.00 H new ATOM 0 HA PHE A 72 8.579 -14.238 -19.439 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.650 -13.971 -20.202 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.033 -13.779 -21.261 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.478 -15.851 -21.781 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.725 -16.147 -19.769 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.340 -18.235 -22.362 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.592 -18.519 -20.364 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.415 -19.578 -21.633 1.00 0.00 H new ATOM 1202 N GLN A 73 8.486 -11.683 -18.826 1.00 0.00 N ATOM 1203 CA GLN A 73 8.411 -10.276 -18.344 1.00 0.00 C ATOM 1204 C GLN A 73 9.576 -9.422 -18.912 1.00 0.00 C ATOM 1205 O GLN A 73 10.514 -9.962 -19.509 1.00 0.00 O ATOM 1206 CB GLN A 73 8.393 -10.200 -16.782 1.00 0.00 C ATOM 1207 CG GLN A 73 9.717 -10.557 -16.066 1.00 0.00 C ATOM 1208 CD GLN A 73 10.129 -12.025 -16.207 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.853 -12.404 -17.125 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.657 -12.858 -15.309 1.00 0.00 N ATOM 0 H GLN A 73 9.409 -11.964 -19.157 1.00 0.00 H new ATOM 0 HA GLN A 73 7.471 -9.864 -18.712 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.108 -9.189 -16.491 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.614 -10.868 -16.415 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.513 -9.928 -16.463 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.620 -10.318 -15.007 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.058 -12.513 -14.559 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.889 -13.850 -15.362 1.00 0.00 H new ATOM 1219 N ARG A 74 9.495 -8.093 -18.655 1.00 0.00 N ATOM 1220 CA ARG A 74 10.543 -7.099 -19.050 1.00 0.00 C ATOM 1221 C ARG A 74 10.166 -5.684 -18.592 1.00 0.00 C ATOM 1222 O ARG A 74 9.208 -5.500 -17.864 1.00 0.00 O ATOM 1223 CB ARG A 74 10.797 -7.089 -20.597 1.00 0.00 C ATOM 1224 CG ARG A 74 9.587 -6.649 -21.456 1.00 0.00 C ATOM 1225 CD ARG A 74 9.904 -6.599 -22.960 1.00 0.00 C ATOM 1226 NE ARG A 74 8.688 -6.424 -23.791 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.570 -6.794 -25.081 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.571 -7.385 -25.712 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.444 -6.568 -25.732 1.00 0.00 N ATOM 0 H ARG A 74 8.703 -7.673 -18.168 1.00 0.00 H new ATOM 0 HA ARG A 74 11.462 -7.409 -18.552 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.634 -6.424 -20.808 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.099 -8.090 -20.907 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.759 -7.338 -21.288 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.254 -5.664 -21.128 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.595 -5.779 -23.155 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.411 -7.519 -23.252 1.00 0.00 H new ATOM 0 HE ARG A 74 7.877 -5.989 -23.351 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.447 -7.566 -25.222 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.467 -7.660 -26.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.663 -6.113 -25.258 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.355 -6.848 -26.709 1.00 0.00 H new ATOM 1243 N ALA A 75 10.966 -4.701 -19.014 1.00 0.00 N ATOM 1244 CA ALA A 75 10.640 -3.274 -18.952 1.00 0.00 C ATOM 1245 C ALA A 75 10.639 -2.796 -20.404 1.00 0.00 C ATOM 1246 O ALA A 75 11.632 -3.023 -21.112 1.00 0.00 O ATOM 1247 CB ALA A 75 11.665 -2.519 -18.094 1.00 0.00 C ATOM 0 H ALA A 75 11.884 -4.881 -19.420 1.00 0.00 H new ATOM 0 HA ALA A 75 9.674 -3.090 -18.482 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.404 -1.461 -18.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.662 -2.925 -17.082 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.658 -2.634 -18.528 1.00 0.00 H new ATOM 1253 N ILE A 76 9.568 -2.146 -20.886 1.00 0.00 N ATOM 1254 CA ILE A 76 9.184 -2.070 -22.283 1.00 0.00 C ATOM 1255 C ILE A 76 9.968 -0.932 -22.970 1.00 0.00 C ATOM 1256 O ILE A 76 10.011 0.176 -22.437 1.00 0.00 O ATOM 1257 CB ILE A 76 7.643 -1.732 -22.360 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.760 -2.743 -21.538 1.00 0.00 C ATOM 1259 CG2 ILE A 76 7.168 -1.634 -23.816 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.777 -4.180 -22.032 1.00 0.00 C ATOM 0 H ILE A 76 8.925 -1.641 -20.276 1.00 0.00 H new ATOM 0 HA ILE A 76 9.398 -3.018 -22.777 1.00 0.00 H new ATOM 0 HB ILE A 76 7.513 -0.755 -21.894 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.095 -2.730 -20.501 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.730 -2.387 -21.545 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.104 -1.400 -23.837 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.722 -0.847 -24.327 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.340 -2.585 -24.320 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.137 -4.791 -21.396 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.410 -4.216 -23.058 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.796 -4.565 -21.997 1.00 0.00 H new ATOM 1272 N THR A 77 10.612 -1.220 -24.107 1.00 0.00 N ATOM 1273 CA THR A 77 11.288 -0.210 -24.946 1.00 0.00 C ATOM 1274 C THR A 77 10.279 0.790 -25.565 1.00 0.00 C ATOM 1275 O THR A 77 9.120 0.439 -25.797 1.00 0.00 O ATOM 1276 CB THR A 77 12.107 -0.905 -26.085 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.239 -1.720 -26.890 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.240 -1.776 -25.521 1.00 0.00 C ATOM 0 H THR A 77 10.682 -2.167 -24.478 1.00 0.00 H new ATOM 0 HA THR A 77 11.965 0.348 -24.300 1.00 0.00 H new ATOM 0 HB THR A 77 12.551 -0.118 -26.695 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.760 -2.149 -27.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.785 -2.241 -26.343 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.921 -1.155 -24.939 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.819 -2.551 -24.880 1.00 0.00 H new ATOM 1286 N LYS A 78 10.741 2.046 -25.806 1.00 0.00 N ATOM 1287 CA LYS A 78 9.969 3.121 -26.521 1.00 0.00 C ATOM 1288 C LYS A 78 9.334 2.630 -27.861 1.00 0.00 C ATOM 1289 O LYS A 78 8.343 3.189 -28.339 1.00 0.00 O ATOM 1290 CB LYS A 78 10.879 4.350 -26.784 1.00 0.00 C ATOM 1291 CG LYS A 78 11.481 4.991 -25.513 1.00 0.00 C ATOM 1292 CD LYS A 78 12.461 6.169 -25.797 1.00 0.00 C ATOM 1293 CE LYS A 78 13.751 5.757 -26.557 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.540 5.548 -28.016 1.00 0.00 N ATOM 0 H LYS A 78 11.668 2.353 -25.510 1.00 0.00 H new ATOM 0 HA LYS A 78 9.145 3.403 -25.865 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.693 4.048 -27.443 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.301 5.105 -27.317 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.669 5.352 -24.882 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.008 4.223 -24.946 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.938 6.929 -26.377 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.742 6.629 -24.850 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.509 6.527 -26.414 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.143 4.839 -26.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.673 4.542 -28.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.574 5.837 -28.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.225 6.119 -28.551 1.00 0.00 H new ATOM 1308 N LYS A 79 9.952 1.580 -28.414 1.00 0.00 N ATOM 1309 CA LYS A 79 9.481 0.902 -29.630 1.00 0.00 C ATOM 1310 C LYS A 79 8.139 0.194 -29.385 1.00 0.00 C ATOM 1311 O LYS A 79 7.190 0.381 -30.152 1.00 0.00 O ATOM 1312 CB LYS A 79 10.542 -0.049 -30.225 1.00 0.00 C ATOM 1313 CG LYS A 79 11.678 0.706 -30.955 1.00 0.00 C ATOM 1314 CD LYS A 79 12.492 -0.203 -31.889 1.00 0.00 C ATOM 1315 CE LYS A 79 13.510 0.594 -32.722 1.00 0.00 C ATOM 1316 NZ LYS A 79 14.259 -0.268 -33.677 1.00 0.00 N ATOM 0 H LYS A 79 10.803 1.172 -28.026 1.00 0.00 H new ATOM 0 HA LYS A 79 9.313 1.672 -30.383 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.969 -0.656 -29.426 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.060 -0.734 -30.922 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.251 1.525 -31.534 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.345 1.152 -30.217 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.016 -0.955 -31.298 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.815 -0.737 -32.556 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.990 1.377 -33.274 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.215 1.089 -32.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.932 0.314 -34.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.777 -1.000 -33.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.591 -0.721 -34.333 1.00 0.00 H new ATOM 1330 N GLU A 80 8.030 -0.570 -28.285 1.00 0.00 N ATOM 1331 CA GLU A 80 6.775 -1.268 -27.928 1.00 0.00 C ATOM 1332 C GLU A 80 5.884 -0.320 -27.058 1.00 0.00 C ATOM 1333 O GLU A 80 4.728 -0.626 -26.768 1.00 0.00 O ATOM 1334 CB GLU A 80 7.098 -2.574 -27.163 1.00 0.00 C ATOM 1335 CG GLU A 80 7.971 -3.597 -27.925 1.00 0.00 C ATOM 1336 CD GLU A 80 7.216 -4.344 -29.036 1.00 0.00 C ATOM 1337 OE1 GLU A 80 7.154 -3.841 -30.174 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.683 -5.444 -28.770 1.00 0.00 O ATOM 0 H GLU A 80 8.793 -0.722 -27.626 1.00 0.00 H new ATOM 0 HA GLU A 80 6.229 -1.530 -28.834 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.604 -2.313 -26.233 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.159 -3.056 -26.891 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.825 -3.079 -28.362 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.368 -4.323 -27.216 1.00 0.00 H new ATOM 1345 N GLN A 81 6.469 0.851 -26.699 1.00 0.00 N ATOM 1346 CA GLN A 81 5.742 1.924 -25.988 1.00 0.00 C ATOM 1347 C GLN A 81 4.883 2.682 -26.992 1.00 0.00 C ATOM 1348 O GLN A 81 3.745 3.049 -26.684 1.00 0.00 O ATOM 1349 CB GLN A 81 6.646 2.917 -25.214 1.00 0.00 C ATOM 1350 CG GLN A 81 7.276 2.361 -23.918 1.00 0.00 C ATOM 1351 CD GLN A 81 8.119 3.397 -23.159 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.852 4.600 -23.211 1.00 0.00 O ATOM 1353 NE2 GLN A 81 9.138 2.943 -22.453 1.00 0.00 N ATOM 0 H GLN A 81 7.446 1.073 -26.893 1.00 0.00 H new ATOM 0 HA GLN A 81 5.135 1.434 -25.227 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.447 3.246 -25.876 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.057 3.799 -24.963 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.483 1.998 -23.264 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.902 1.504 -24.165 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.336 1.943 -22.428 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.728 3.593 -21.933 1.00 0.00 H new ATOM 1362 N ALA A 82 5.404 2.906 -28.210 1.00 0.00 N ATOM 1363 CA ALA A 82 4.634 3.539 -29.296 1.00 0.00 C ATOM 1364 C ALA A 82 3.536 2.584 -29.787 1.00 0.00 C ATOM 1365 O ALA A 82 2.459 3.013 -30.213 1.00 0.00 O ATOM 1366 CB ALA A 82 5.586 3.908 -30.452 1.00 0.00 C ATOM 0 H ALA A 82 6.359 2.657 -28.469 1.00 0.00 H new ATOM 0 HA ALA A 82 4.159 4.447 -28.924 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.018 4.376 -31.256 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.344 4.603 -30.091 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.070 3.006 -30.827 1.00 0.00 H new ATOM 1372 N ASP A 83 3.838 1.280 -29.710 1.00 0.00 N ATOM 1373 CA ASP A 83 2.935 0.210 -30.135 1.00 0.00 C ATOM 1374 C ASP A 83 2.218 -0.435 -28.945 1.00 0.00 C ATOM 1375 O ASP A 83 1.866 -1.601 -29.025 1.00 0.00 O ATOM 1376 CB ASP A 83 3.731 -0.855 -30.950 1.00 0.00 C ATOM 1377 CG ASP A 83 4.196 -0.320 -32.309 1.00 0.00 C ATOM 1378 OD1 ASP A 83 5.233 0.368 -32.371 1.00 0.00 O ATOM 1379 OD2 ASP A 83 3.498 -0.547 -33.320 1.00 0.00 O ATOM 0 H ASP A 83 4.728 0.939 -29.346 1.00 0.00 H new ATOM 0 HA ASP A 83 2.165 0.645 -30.771 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.598 -1.177 -30.373 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.105 -1.734 -31.103 1.00 0.00 H new ATOM 1384 N MET A 84 1.859 0.380 -27.917 1.00 0.00 N ATOM 1385 CA MET A 84 1.194 -0.131 -26.676 1.00 0.00 C ATOM 1386 C MET A 84 -0.120 -0.868 -26.982 1.00 0.00 C ATOM 1387 O MET A 84 -0.449 -1.886 -26.351 1.00 0.00 O ATOM 1388 CB MET A 84 0.942 1.016 -25.648 1.00 0.00 C ATOM 1389 CG MET A 84 2.078 1.193 -24.643 1.00 0.00 C ATOM 1390 SD MET A 84 2.392 -0.335 -23.735 1.00 0.00 S ATOM 1391 CE MET A 84 3.959 0.020 -22.967 1.00 0.00 C ATOM 0 H MET A 84 2.016 1.388 -27.918 1.00 0.00 H new ATOM 0 HA MET A 84 1.883 -0.849 -26.232 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.796 1.952 -26.188 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.018 0.812 -25.107 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.984 1.501 -25.165 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.827 1.990 -23.943 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.117 -0.661 -22.131 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.759 -0.108 -23.696 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.961 1.047 -22.603 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.788 -0.405 -28.036 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.102 -0.918 -28.375 1.00 0.00 C ATOM 1403 C GLY A 85 -2.007 -2.279 -29.028 1.00 0.00 C ATOM 1404 O GLY A 85 -2.850 -3.136 -28.776 1.00 0.00 O ATOM 0 H GLY A 85 -0.439 0.320 -28.663 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.712 -0.986 -27.474 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.604 -0.223 -29.048 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.939 -2.521 -29.826 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.698 -3.801 -30.518 1.00 0.00 C ATOM 1410 C LYS A 86 0.212 -4.664 -29.580 1.00 0.00 C ATOM 1411 O LYS A 86 0.281 -5.890 -29.689 1.00 0.00 O ATOM 1412 CB LYS A 86 -0.019 -3.469 -31.891 1.00 0.00 C ATOM 1413 CG LYS A 86 0.442 -4.662 -32.778 1.00 0.00 C ATOM 1414 CD LYS A 86 1.880 -5.157 -32.476 1.00 0.00 C ATOM 1415 CE LYS A 86 2.956 -4.082 -32.711 1.00 0.00 C ATOM 1416 NZ LYS A 86 3.049 -3.662 -34.128 1.00 0.00 N ATOM 0 H LYS A 86 -0.217 -1.824 -30.006 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.607 -4.366 -30.723 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.717 -2.868 -32.474 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.851 -2.843 -31.692 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.252 -5.491 -32.642 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.384 -4.366 -33.825 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.931 -5.492 -31.440 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.098 -6.022 -33.102 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.735 -3.212 -32.093 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.923 -4.466 -32.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.000 -3.874 -34.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.341 -4.177 -34.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.871 -2.640 -34.200 1.00 0.00 H new ATOM 1430 N LEU A 87 0.799 -3.935 -28.586 1.00 0.00 N ATOM 1431 CA LEU A 87 1.751 -4.565 -27.671 1.00 0.00 C ATOM 1432 C LEU A 87 0.934 -5.413 -26.709 1.00 0.00 C ATOM 1433 O LEU A 87 1.171 -6.600 -26.589 1.00 0.00 O ATOM 1434 CB LEU A 87 2.633 -3.577 -26.863 1.00 0.00 C ATOM 1435 CG LEU A 87 3.455 -4.223 -25.697 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.490 -5.249 -26.205 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.107 -3.155 -24.819 1.00 0.00 C ATOM 0 H LEU A 87 0.627 -2.944 -28.415 1.00 0.00 H new ATOM 0 HA LEU A 87 2.454 -5.144 -28.270 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.326 -3.088 -27.548 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.993 -2.798 -26.448 1.00 0.00 H new ATOM 0 HG LEU A 87 2.747 -4.775 -25.079 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.033 -5.668 -25.358 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.977 -6.049 -26.739 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.191 -4.756 -26.878 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.670 -3.636 -24.019 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.781 -2.549 -25.424 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.335 -2.518 -24.387 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.135 -4.819 -26.146 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.793 -5.339 -24.941 1.00 0.00 C ATOM 1451 C LYS A 88 -1.809 -6.431 -25.329 1.00 0.00 C ATOM 1452 O LYS A 88 -2.122 -7.316 -24.525 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.503 -4.146 -24.241 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.558 -3.214 -23.443 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.313 -2.025 -22.811 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.391 -1.053 -22.063 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.138 0.079 -21.469 1.00 0.00 N ATOM 0 H LYS A 88 -0.562 -3.969 -26.514 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.067 -5.788 -24.264 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.023 -3.556 -24.996 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.262 -4.538 -23.564 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.062 -3.786 -22.659 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.222 -2.837 -24.104 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.844 -1.483 -23.593 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.065 -2.406 -22.121 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.139 -1.590 -21.276 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.363 -0.668 -22.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.476 0.710 -20.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.623 0.608 -22.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.840 -0.285 -20.794 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.288 -6.359 -26.590 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.390 -7.209 -27.077 1.00 0.00 C ATOM 1473 C LYS A 89 -2.850 -8.570 -27.546 1.00 0.00 C ATOM 1474 O LYS A 89 -3.493 -9.593 -27.328 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.224 -6.484 -28.188 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.484 -6.093 -29.503 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.474 -7.195 -30.593 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.757 -6.737 -31.874 1.00 0.00 C ATOM 1479 NZ LYS A 89 -2.754 -7.777 -32.931 1.00 0.00 N ATOM 0 H LYS A 89 -1.923 -5.715 -27.292 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.075 -7.395 -26.250 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.063 -7.128 -28.453 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.643 -5.576 -27.755 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.951 -5.198 -29.914 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.454 -5.832 -29.260 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.983 -8.086 -30.202 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.499 -7.476 -30.833 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.242 -5.838 -32.255 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.729 -6.467 -31.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.259 -7.416 -33.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.268 -8.627 -32.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.734 -8.018 -33.184 1.00 0.00 H new ATOM 1493 N SER A 90 -1.665 -8.560 -28.195 1.00 0.00 N ATOM 1494 CA SER A 90 -0.998 -9.773 -28.692 1.00 0.00 C ATOM 1495 C SER A 90 -0.619 -10.707 -27.526 1.00 0.00 C ATOM 1496 O SER A 90 -0.860 -11.922 -27.578 1.00 0.00 O ATOM 1497 CB SER A 90 0.249 -9.367 -29.502 1.00 0.00 C ATOM 1498 OG SER A 90 -0.114 -8.525 -30.592 1.00 0.00 O ATOM 0 H SER A 90 -1.146 -7.703 -28.387 1.00 0.00 H new ATOM 0 HA SER A 90 -1.682 -10.322 -29.339 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.957 -8.849 -28.855 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.753 -10.258 -29.876 1.00 0.00 H new ATOM 0 HG SER A 90 -0.013 -7.587 -30.328 1.00 0.00 H new ATOM 1504 N VAL A 91 0.009 -10.105 -26.489 1.00 0.00 N ATOM 1505 CA VAL A 91 0.311 -10.801 -25.200 1.00 0.00 C ATOM 1506 C VAL A 91 -0.971 -11.419 -24.563 1.00 0.00 C ATOM 1507 O VAL A 91 -0.871 -12.283 -23.682 1.00 0.00 O ATOM 1508 CB VAL A 91 0.967 -9.831 -24.137 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.666 -10.617 -23.000 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.943 -8.841 -24.786 1.00 0.00 C ATOM 0 H VAL A 91 0.321 -9.134 -26.513 1.00 0.00 H new ATOM 0 HA VAL A 91 1.017 -11.592 -25.454 1.00 0.00 H new ATOM 0 HB VAL A 91 0.152 -9.255 -23.699 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.105 -9.916 -22.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.935 -11.243 -22.488 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.451 -11.245 -23.421 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.370 -8.195 -24.019 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.742 -9.391 -25.283 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.411 -8.233 -25.518 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.156 -10.918 -25.021 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.487 -11.375 -24.586 1.00 0.00 C ATOM 1522 C ARG A 92 -3.721 -10.818 -23.174 1.00 0.00 C ATOM 1523 O ARG A 92 -4.023 -11.534 -22.210 1.00 0.00 O ATOM 1524 CB ARG A 92 -3.596 -12.926 -24.705 1.00 0.00 C ATOM 1525 CG ARG A 92 -4.929 -13.576 -24.268 1.00 0.00 C ATOM 1526 CD ARG A 92 -4.774 -15.089 -24.032 1.00 0.00 C ATOM 1527 NE ARG A 92 -3.624 -15.377 -23.136 1.00 0.00 N ATOM 1528 CZ ARG A 92 -3.579 -16.332 -22.200 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -4.622 -17.121 -21.971 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -2.481 -16.483 -21.485 1.00 0.00 N ATOM 0 H ARG A 92 -2.200 -10.172 -25.715 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.284 -10.999 -25.227 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.412 -13.199 -25.744 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.795 -13.367 -24.113 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.284 -13.100 -23.354 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.686 -13.403 -25.033 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.689 -15.487 -23.593 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.631 -15.596 -24.986 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.794 -14.794 -23.244 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.478 -17.005 -22.513 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.567 -17.843 -21.253 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.678 -15.875 -21.649 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.435 -17.207 -20.769 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.551 -9.491 -23.087 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.625 -8.778 -21.825 1.00 0.00 C ATOM 1546 C GLY A 93 -2.320 -8.883 -21.048 1.00 0.00 C ATOM 1547 O GLY A 93 -2.159 -9.780 -20.209 1.00 0.00 O ATOM 0 H GLY A 93 -3.360 -8.893 -23.891 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.855 -7.729 -22.011 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.441 -9.182 -21.225 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.358 -8.011 -21.372 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.110 -7.820 -20.606 1.00 0.00 C ATOM 1553 C LEU A 94 -0.402 -7.006 -19.327 1.00 0.00 C ATOM 1554 O LEU A 94 -1.484 -6.421 -19.198 1.00 0.00 O ATOM 1555 CB LEU A 94 0.864 -7.075 -21.585 1.00 0.00 C ATOM 1556 CG LEU A 94 2.217 -6.509 -21.058 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.130 -7.617 -20.534 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.933 -5.688 -22.157 1.00 0.00 C ATOM 0 H LEU A 94 -1.422 -7.404 -22.189 1.00 0.00 H new ATOM 0 HA LEU A 94 0.334 -8.757 -20.269 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.095 -7.763 -22.398 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.312 -6.242 -22.020 1.00 0.00 H new ATOM 0 HG LEU A 94 1.990 -5.848 -20.222 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.063 -7.181 -20.176 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.635 -8.139 -19.715 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.344 -8.322 -21.337 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.875 -5.302 -21.767 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.131 -6.327 -23.018 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.298 -4.856 -22.461 1.00 0.00 H new ATOM 1570 N VAL A 95 0.553 -6.940 -18.386 1.00 0.00 N ATOM 1571 CA VAL A 95 0.473 -6.167 -17.140 1.00 0.00 C ATOM 1572 C VAL A 95 1.630 -5.161 -17.207 1.00 0.00 C ATOM 1573 O VAL A 95 2.764 -5.571 -17.373 1.00 0.00 O ATOM 1574 CB VAL A 95 0.603 -7.060 -15.848 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.470 -6.203 -14.566 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.435 -8.214 -15.855 1.00 0.00 C ATOM 0 H VAL A 95 1.435 -7.444 -18.477 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.503 -5.688 -17.061 1.00 0.00 H new ATOM 0 HB VAL A 95 1.597 -7.507 -15.853 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.563 -6.843 -13.689 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.256 -5.448 -14.550 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.504 -5.713 -14.555 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.320 -8.812 -14.951 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.442 -7.798 -15.889 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.273 -8.844 -16.730 1.00 0.00 H new ATOM 1586 N VAL A 96 1.335 -3.857 -17.086 1.00 0.00 N ATOM 1587 CA VAL A 96 2.304 -2.759 -17.343 1.00 0.00 C ATOM 1588 C VAL A 96 2.245 -1.769 -16.170 1.00 0.00 C ATOM 1589 O VAL A 96 1.153 -1.307 -15.819 1.00 0.00 O ATOM 1590 CB VAL A 96 2.015 -1.986 -18.697 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.051 -0.860 -18.960 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.969 -2.953 -19.902 1.00 0.00 C ATOM 0 H VAL A 96 0.413 -3.524 -16.805 1.00 0.00 H new ATOM 0 HA VAL A 96 3.294 -3.206 -17.437 1.00 0.00 H new ATOM 0 HB VAL A 96 1.035 -1.522 -18.583 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.813 -0.358 -19.898 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.019 -0.138 -18.144 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.050 -1.292 -19.023 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.769 -2.389 -20.813 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.927 -3.465 -19.995 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.179 -3.688 -19.749 1.00 0.00 H new ATOM 1602 N VAL A 97 3.407 -1.425 -15.571 1.00 0.00 N ATOM 1603 CA VAL A 97 3.504 -0.583 -14.357 1.00 0.00 C ATOM 1604 C VAL A 97 4.494 0.576 -14.645 1.00 0.00 C ATOM 1605 O VAL A 97 5.629 0.332 -15.069 1.00 0.00 O ATOM 1606 CB VAL A 97 3.995 -1.417 -13.106 1.00 0.00 C ATOM 1607 CG1 VAL A 97 3.978 -0.566 -11.811 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.166 -2.724 -12.920 1.00 0.00 C ATOM 0 H VAL A 97 4.316 -1.728 -15.922 1.00 0.00 H new ATOM 0 HA VAL A 97 2.515 -0.192 -14.117 1.00 0.00 H new ATOM 0 HB VAL A 97 5.027 -1.705 -13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.321 -1.172 -10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.638 0.293 -11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.963 -0.220 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.535 -3.268 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.116 -2.471 -12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.267 -3.348 -13.808 1.00 0.00 H new ATOM 1618 N HIS A 98 4.054 1.826 -14.421 1.00 0.00 N ATOM 1619 CA HIS A 98 4.802 3.045 -14.797 1.00 0.00 C ATOM 1620 C HIS A 98 5.824 3.404 -13.673 1.00 0.00 C ATOM 1621 O HIS A 98 5.517 3.205 -12.497 1.00 0.00 O ATOM 1622 CB HIS A 98 3.772 4.184 -15.020 1.00 0.00 C ATOM 1623 CG HIS A 98 4.345 5.490 -15.513 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.700 6.500 -14.647 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.593 5.898 -16.785 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.147 7.481 -15.408 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.103 7.163 -16.703 1.00 0.00 N ATOM 0 H HIS A 98 3.161 2.024 -13.970 1.00 0.00 H new ATOM 0 HA HIS A 98 5.371 2.891 -15.714 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.026 3.841 -15.737 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.250 4.368 -14.081 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.420 5.331 -17.688 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.505 8.427 -15.029 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.395 7.752 -17.483 1.00 0.00 H new ATOM 1635 N PRO A 99 7.057 3.925 -14.004 1.00 0.00 N ATOM 1636 CA PRO A 99 8.105 4.212 -12.988 1.00 0.00 C ATOM 1637 C PRO A 99 7.766 5.399 -12.051 1.00 0.00 C ATOM 1638 O PRO A 99 7.973 5.312 -10.838 1.00 0.00 O ATOM 1639 CB PRO A 99 9.356 4.515 -13.851 1.00 0.00 C ATOM 1640 CG PRO A 99 8.810 5.021 -15.147 1.00 0.00 C ATOM 1641 CD PRO A 99 7.543 4.236 -15.382 1.00 0.00 C ATOM 0 HA PRO A 99 8.231 3.378 -12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.996 5.258 -13.374 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.961 3.621 -13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.606 6.091 -15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.522 4.870 -15.959 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.811 4.817 -15.943 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.735 3.328 -15.953 1.00 0.00 H new ATOM 1649 N MET A 100 7.244 6.506 -12.631 1.00 0.00 N ATOM 1650 CA MET A 100 7.042 7.760 -11.865 1.00 0.00 C ATOM 1651 C MET A 100 5.792 7.702 -10.980 1.00 0.00 C ATOM 1652 O MET A 100 5.618 8.559 -10.112 1.00 0.00 O ATOM 1653 CB MET A 100 7.001 9.011 -12.779 1.00 0.00 C ATOM 1654 CG MET A 100 8.229 9.170 -13.686 1.00 0.00 C ATOM 1655 SD MET A 100 8.318 10.788 -14.491 1.00 0.00 S ATOM 1656 CE MET A 100 6.821 10.822 -15.478 1.00 0.00 C ATOM 0 H MET A 100 6.959 6.558 -13.609 1.00 0.00 H new ATOM 0 HA MET A 100 7.911 7.854 -11.214 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.108 8.963 -13.402 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.907 9.900 -12.155 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.132 9.016 -13.095 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.212 8.392 -14.450 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.807 11.726 -16.086 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.794 9.947 -16.128 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.952 10.813 -14.821 1.00 0.00 H new ATOM 1666 N THR A 101 4.918 6.711 -11.223 1.00 0.00 N ATOM 1667 CA THR A 101 3.803 6.414 -10.299 1.00 0.00 C ATOM 1668 C THR A 101 4.364 5.812 -9.001 1.00 0.00 C ATOM 1669 O THR A 101 5.407 5.157 -9.034 1.00 0.00 O ATOM 1670 CB THR A 101 2.756 5.426 -10.914 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.352 4.142 -11.159 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.145 5.967 -12.217 1.00 0.00 C ATOM 0 H THR A 101 4.958 6.105 -12.043 1.00 0.00 H new ATOM 0 HA THR A 101 3.288 7.354 -10.101 1.00 0.00 H new ATOM 0 HB THR A 101 1.954 5.322 -10.183 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.154 4.254 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.425 5.248 -12.607 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.642 6.913 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.935 6.124 -12.952 1.00 0.00 H new ATOM 1680 N ALA A 102 3.653 6.034 -7.880 1.00 0.00 N ATOM 1681 CA ALA A 102 4.060 5.578 -6.538 1.00 0.00 C ATOM 1682 C ALA A 102 4.413 4.075 -6.502 1.00 0.00 C ATOM 1683 O ALA A 102 5.410 3.685 -5.880 1.00 0.00 O ATOM 1684 CB ALA A 102 2.945 5.893 -5.526 1.00 0.00 C ATOM 0 H ALA A 102 2.768 6.542 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 102 4.968 6.118 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.247 5.555 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.766 6.968 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.030 5.379 -5.821 1.00 0.00 H new ATOM 1690 N LEU A 103 3.581 3.248 -7.188 1.00 0.00 N ATOM 1691 CA LEU A 103 3.755 1.775 -7.178 1.00 0.00 C ATOM 1692 C LEU A 103 5.109 1.442 -7.855 1.00 0.00 C ATOM 1693 O LEU A 103 5.911 0.656 -7.324 1.00 0.00 O ATOM 1694 CB LEU A 103 2.590 1.045 -7.913 1.00 0.00 C ATOM 1695 CG LEU A 103 2.575 -0.515 -7.770 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.422 -0.955 -6.288 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.473 -1.148 -8.655 1.00 0.00 C ATOM 0 H LEU A 103 2.793 3.573 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 103 3.745 1.425 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.645 1.436 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.639 1.295 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 103 3.540 -0.881 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.416 -2.043 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.256 -0.565 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.486 -0.565 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.487 -2.231 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.499 -0.762 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.656 -0.897 -9.700 1.00 0.00 H new ATOM 1709 N GLY A 104 5.376 2.125 -9.001 1.00 0.00 N ATOM 1710 CA GLY A 104 6.679 2.062 -9.652 1.00 0.00 C ATOM 1711 C GLY A 104 7.834 2.681 -8.891 1.00 0.00 C ATOM 1712 O GLY A 104 8.974 2.261 -9.090 1.00 0.00 O ATOM 0 H GLY A 104 4.698 2.719 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.916 1.016 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.603 2.555 -10.621 1.00 0.00 H new ATOM 1716 N ARG A 105 7.581 3.652 -7.983 1.00 0.00 N ATOM 1717 CA ARG A 105 8.663 4.302 -7.240 1.00 0.00 C ATOM 1718 C ARG A 105 9.057 3.391 -6.079 1.00 0.00 C ATOM 1719 O ARG A 105 10.225 3.339 -5.686 1.00 0.00 O ATOM 1720 CB ARG A 105 8.223 5.680 -6.670 1.00 0.00 C ATOM 1721 CG ARG A 105 7.898 6.757 -7.719 1.00 0.00 C ATOM 1722 CD ARG A 105 7.622 8.123 -7.061 1.00 0.00 C ATOM 1723 NE ARG A 105 7.369 9.195 -8.032 1.00 0.00 N ATOM 1724 CZ ARG A 105 6.973 10.439 -7.716 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.720 10.782 -6.457 1.00 0.00 N ATOM 1726 NH2 ARG A 105 6.815 11.334 -8.671 1.00 0.00 N ATOM 0 H ARG A 105 6.647 3.993 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 105 9.499 4.471 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.344 5.530 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.015 6.056 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.731 6.850 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.028 6.450 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.761 8.032 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.475 8.398 -6.440 1.00 0.00 H new ATOM 0 HE ARG A 105 7.504 8.979 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.826 10.095 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.420 11.732 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.993 11.080 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.514 12.281 -8.438 1.00 0.00 H new ATOM 1740 N GLU A 106 8.067 2.635 -5.560 1.00 0.00 N ATOM 1741 CA GLU A 106 8.211 1.871 -4.327 1.00 0.00 C ATOM 1742 C GLU A 106 8.839 0.513 -4.657 1.00 0.00 C ATOM 1743 O GLU A 106 9.748 0.065 -3.945 1.00 0.00 O ATOM 1744 CB GLU A 106 6.831 1.683 -3.637 1.00 0.00 C ATOM 1745 CG GLU A 106 6.864 0.900 -2.302 1.00 0.00 C ATOM 1746 CD GLU A 106 7.841 1.501 -1.270 1.00 0.00 C ATOM 1747 OE1 GLU A 106 7.523 2.554 -0.685 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.934 0.930 -1.042 1.00 0.00 O ATOM 0 H GLU A 106 7.148 2.545 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 106 8.857 2.412 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.398 2.666 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.165 1.165 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.861 0.880 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.146 -0.134 -2.501 1.00 0.00 H new ATOM 1755 N MET A 107 8.373 -0.121 -5.762 1.00 0.00 N ATOM 1756 CA MET A 107 8.894 -1.458 -6.157 1.00 0.00 C ATOM 1757 C MET A 107 10.316 -1.276 -6.766 1.00 0.00 C ATOM 1758 O MET A 107 11.020 -2.254 -7.013 1.00 0.00 O ATOM 1759 CB MET A 107 7.947 -2.146 -7.188 1.00 0.00 C ATOM 1760 CG MET A 107 6.595 -2.626 -6.619 1.00 0.00 C ATOM 1761 SD MET A 107 5.482 -3.306 -7.878 1.00 0.00 S ATOM 1762 CE MET A 107 6.412 -4.708 -8.509 1.00 0.00 C ATOM 0 H MET A 107 7.657 0.257 -6.382 1.00 0.00 H new ATOM 0 HA MET A 107 8.943 -2.100 -5.277 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.753 -1.447 -8.002 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.466 -3.002 -7.619 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.779 -3.386 -5.859 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.102 -1.791 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.762 -5.328 -9.126 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.248 -4.349 -9.110 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.792 -5.298 -7.675 1.00 0.00 H new ATOM 1772 N GLY A 108 10.704 0.004 -7.015 1.00 0.00 N ATOM 1773 CA GLY A 108 12.070 0.381 -7.393 1.00 0.00 C ATOM 1774 C GLY A 108 12.224 0.750 -8.863 1.00 0.00 C ATOM 1775 O GLY A 108 13.304 1.190 -9.274 1.00 0.00 O ATOM 0 H GLY A 108 10.066 0.798 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.386 1.226 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.741 -0.447 -7.164 1.00 0.00 H new ATOM 1779 N LEU A 109 11.146 0.589 -9.650 1.00 0.00 N ATOM 1780 CA LEU A 109 11.149 0.712 -11.122 1.00 0.00 C ATOM 1781 C LEU A 109 11.529 2.144 -11.581 1.00 0.00 C ATOM 1782 O LEU A 109 10.858 3.112 -11.219 1.00 0.00 O ATOM 1783 CB LEU A 109 9.741 0.326 -11.668 1.00 0.00 C ATOM 1784 CG LEU A 109 9.101 -0.977 -11.068 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.672 -1.207 -11.611 1.00 0.00 C ATOM 1786 CD2 LEU A 109 9.993 -2.221 -11.311 1.00 0.00 C ATOM 0 H LEU A 109 10.225 0.364 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 109 11.904 0.035 -11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.062 1.158 -11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.813 0.207 -12.749 1.00 0.00 H new ATOM 0 HG LEU A 109 9.030 -0.829 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.259 -2.117 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.041 -0.359 -11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.707 -1.308 -12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.515 -3.101 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.128 -2.368 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.965 -2.070 -10.841 1.00 0.00 H new ATOM 1798 N GLU A 110 12.624 2.250 -12.350 1.00 0.00 N ATOM 1799 CA GLU A 110 13.082 3.513 -12.989 1.00 0.00 C ATOM 1800 C GLU A 110 12.679 3.562 -14.477 1.00 0.00 C ATOM 1801 O GLU A 110 12.940 4.549 -15.166 1.00 0.00 O ATOM 1802 CB GLU A 110 14.619 3.645 -12.849 1.00 0.00 C ATOM 1803 CG GLU A 110 15.415 2.474 -13.464 1.00 0.00 C ATOM 1804 CD GLU A 110 16.933 2.643 -13.329 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.453 2.536 -12.203 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.615 2.898 -14.345 1.00 0.00 O ATOM 0 H GLU A 110 13.230 1.456 -12.554 1.00 0.00 H new ATOM 0 HA GLU A 110 12.599 4.348 -12.481 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.937 4.574 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.870 3.724 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.114 1.544 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.158 2.382 -14.519 1.00 0.00 H new ATOM 1813 N GLU A 111 11.996 2.498 -14.924 1.00 0.00 N ATOM 1814 CA GLU A 111 11.558 2.353 -16.325 1.00 0.00 C ATOM 1815 C GLU A 111 10.150 1.752 -16.361 1.00 0.00 C ATOM 1816 O GLU A 111 9.740 1.082 -15.401 1.00 0.00 O ATOM 1817 CB GLU A 111 12.575 1.461 -17.094 1.00 0.00 C ATOM 1818 CG GLU A 111 12.265 1.225 -18.590 1.00 0.00 C ATOM 1819 CD GLU A 111 12.059 2.522 -19.391 1.00 0.00 C ATOM 1820 OE1 GLU A 111 12.991 3.350 -19.451 1.00 0.00 O ATOM 1821 OE2 GLU A 111 10.957 2.730 -19.952 1.00 0.00 O ATOM 0 H GLU A 111 11.731 1.714 -14.328 1.00 0.00 H new ATOM 0 HA GLU A 111 11.523 3.328 -16.811 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.562 1.916 -17.014 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.629 0.493 -16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.082 0.659 -19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.369 0.611 -18.674 1.00 0.00 H new ATOM 1828 N MET A 112 9.390 2.037 -17.448 1.00 0.00 N ATOM 1829 CA MET A 112 8.085 1.414 -17.680 1.00 0.00 C ATOM 1830 C MET A 112 8.272 -0.094 -17.806 1.00 0.00 C ATOM 1831 O MET A 112 9.021 -0.562 -18.644 1.00 0.00 O ATOM 1832 CB MET A 112 7.381 1.976 -18.942 1.00 0.00 C ATOM 1833 CG MET A 112 6.137 1.167 -19.383 1.00 0.00 C ATOM 1834 SD MET A 112 4.944 2.115 -20.338 1.00 0.00 S ATOM 1835 CE MET A 112 4.121 3.045 -19.042 1.00 0.00 C ATOM 0 H MET A 112 9.669 2.698 -18.173 1.00 0.00 H new ATOM 0 HA MET A 112 7.441 1.645 -16.831 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.082 3.006 -18.750 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.096 2.000 -19.764 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.464 0.313 -19.976 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.643 0.769 -18.497 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.761 3.991 -19.446 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.278 2.469 -18.660 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.824 3.240 -18.232 1.00 0.00 H new ATOM 1845 N THR A 113 7.585 -0.799 -16.939 1.00 0.00 N ATOM 1846 CA THR A 113 7.735 -2.240 -16.773 1.00 0.00 C ATOM 1847 C THR A 113 6.527 -2.987 -17.351 1.00 0.00 C ATOM 1848 O THR A 113 5.437 -2.442 -17.383 1.00 0.00 O ATOM 1849 CB THR A 113 7.940 -2.583 -15.264 1.00 0.00 C ATOM 1850 OG1 THR A 113 8.927 -1.697 -14.703 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.415 -4.026 -15.056 1.00 0.00 C ATOM 0 H THR A 113 6.892 -0.388 -16.314 1.00 0.00 H new ATOM 0 HA THR A 113 8.616 -2.566 -17.325 1.00 0.00 H new ATOM 0 HB THR A 113 6.975 -2.464 -14.771 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.744 -2.200 -14.506 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.543 -4.217 -13.991 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.674 -4.715 -15.461 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.366 -4.173 -15.568 1.00 0.00 H new ATOM 1859 N GLY A 114 6.747 -4.215 -17.855 1.00 0.00 N ATOM 1860 CA GLY A 114 5.652 -5.154 -18.097 1.00 0.00 C ATOM 1861 C GLY A 114 5.902 -6.535 -17.514 1.00 0.00 C ATOM 1862 O GLY A 114 7.032 -6.876 -17.151 1.00 0.00 O ATOM 0 H GLY A 114 7.670 -4.573 -18.099 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.734 -4.748 -17.671 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.492 -5.245 -19.171 1.00 0.00 H new ATOM 1866 N PHE A 115 4.844 -7.373 -17.504 1.00 0.00 N ATOM 1867 CA PHE A 115 4.828 -8.693 -16.858 1.00 0.00 C ATOM 1868 C PHE A 115 3.684 -9.491 -17.505 1.00 0.00 C ATOM 1869 O PHE A 115 2.603 -8.912 -17.727 1.00 0.00 O ATOM 1870 CB PHE A 115 4.503 -8.615 -15.336 1.00 0.00 C ATOM 1871 CG PHE A 115 5.401 -7.743 -14.464 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.624 -8.209 -14.001 1.00 0.00 C ATOM 1873 CD2 PHE A 115 4.987 -6.467 -14.072 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.406 -7.435 -13.167 1.00 0.00 C ATOM 1875 CE2 PHE A 115 5.772 -5.690 -13.245 1.00 0.00 C ATOM 1876 CZ PHE A 115 6.981 -6.178 -12.785 1.00 0.00 C ATOM 0 H PHE A 115 3.960 -7.141 -17.956 1.00 0.00 H new ATOM 0 HA PHE A 115 5.814 -9.142 -16.980 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.480 -8.255 -15.229 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.528 -9.628 -14.935 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.968 -9.189 -14.297 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.040 -6.084 -14.421 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.353 -7.814 -12.812 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.443 -4.702 -12.958 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.592 -5.577 -12.128 1.00 0.00 H new ATOM 1886 N SER A 116 3.883 -10.789 -17.787 1.00 0.00 N ATOM 1887 CA SER A 116 2.720 -11.665 -18.049 1.00 0.00 C ATOM 1888 C SER A 116 3.036 -13.159 -17.808 1.00 0.00 C ATOM 1889 O SER A 116 4.185 -13.570 -17.543 1.00 0.00 O ATOM 1890 CB SER A 116 2.259 -11.460 -19.527 1.00 0.00 C ATOM 1891 OG SER A 116 1.018 -12.105 -19.800 1.00 0.00 O ATOM 0 H SER A 116 4.794 -11.244 -17.839 1.00 0.00 H new ATOM 0 HA SER A 116 1.929 -11.389 -17.351 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.164 -10.394 -19.731 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.023 -11.847 -20.201 1.00 0.00 H new ATOM 0 HG SER A 116 0.468 -11.528 -20.371 1.00 0.00 H new ATOM 1897 N LYS A 117 1.964 -13.955 -17.931 1.00 0.00 N ATOM 1898 CA LYS A 117 2.001 -15.421 -17.969 1.00 0.00 C ATOM 1899 C LYS A 117 2.149 -15.913 -19.416 1.00 0.00 C ATOM 1900 O LYS A 117 2.286 -17.116 -19.654 1.00 0.00 O ATOM 1901 CB LYS A 117 0.690 -15.977 -17.353 1.00 0.00 C ATOM 1902 CG LYS A 117 0.561 -15.802 -15.815 1.00 0.00 C ATOM 1903 CD LYS A 117 1.527 -16.716 -15.023 1.00 0.00 C ATOM 1904 CE LYS A 117 1.320 -18.215 -15.324 1.00 0.00 C ATOM 1905 NZ LYS A 117 2.266 -19.075 -14.567 1.00 0.00 N ATOM 0 H LYS A 117 1.018 -13.582 -18.009 1.00 0.00 H new ATOM 0 HA LYS A 117 2.857 -15.776 -17.395 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.156 -15.484 -17.832 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.617 -17.038 -17.590 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.757 -14.762 -15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.464 -16.018 -15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.555 -16.442 -15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.389 -16.543 -13.956 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.297 -18.496 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.447 -18.390 -16.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.091 -20.073 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.243 -18.826 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.128 -18.929 -13.547 1.00 0.00 H new ATOM 1919 N THR A 118 2.131 -14.967 -20.370 1.00 0.00 N ATOM 1920 CA THR A 118 2.140 -15.257 -21.807 1.00 0.00 C ATOM 1921 C THR A 118 3.333 -14.532 -22.460 1.00 0.00 C ATOM 1922 O THR A 118 3.762 -13.477 -21.976 1.00 0.00 O ATOM 1923 CB THR A 118 0.784 -14.809 -22.475 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.251 -14.678 -21.475 1.00 0.00 O ATOM 1925 CG2 THR A 118 0.306 -15.819 -23.530 1.00 0.00 C ATOM 0 H THR A 118 2.110 -13.969 -20.159 1.00 0.00 H new ATOM 0 HA THR A 118 2.244 -16.332 -21.957 1.00 0.00 H new ATOM 0 HB THR A 118 0.972 -13.850 -22.959 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.971 -14.110 -21.821 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.631 -15.473 -23.966 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.059 -15.911 -24.313 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.151 -16.790 -23.060 1.00 0.00 H new ATOM 1933 N THR A 119 3.845 -15.117 -23.553 1.00 0.00 N ATOM 1934 CA THR A 119 5.046 -14.634 -24.256 1.00 0.00 C ATOM 1935 C THR A 119 4.817 -13.263 -24.943 1.00 0.00 C ATOM 1936 O THR A 119 3.690 -12.943 -25.354 1.00 0.00 O ATOM 1937 CB THR A 119 5.527 -15.690 -25.311 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.734 -15.241 -25.955 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.453 -15.989 -26.381 1.00 0.00 C ATOM 0 H THR A 119 3.434 -15.947 -23.979 1.00 0.00 H new ATOM 0 HA THR A 119 5.821 -14.496 -23.502 1.00 0.00 H new ATOM 0 HB THR A 119 5.718 -16.614 -24.766 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.024 -15.910 -26.610 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.837 -16.726 -27.086 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.558 -16.381 -25.898 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.205 -15.071 -26.914 1.00 0.00 H new ATOM 1947 N PHE A 120 5.906 -12.466 -25.031 1.00 0.00 N ATOM 1948 CA PHE A 120 5.934 -11.162 -25.723 1.00 0.00 C ATOM 1949 C PHE A 120 7.395 -10.687 -25.936 1.00 0.00 C ATOM 1950 O PHE A 120 8.209 -10.802 -24.998 1.00 0.00 O ATOM 1951 CB PHE A 120 5.106 -10.088 -24.975 1.00 0.00 C ATOM 1952 CG PHE A 120 5.542 -9.735 -23.548 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.449 -10.666 -22.513 1.00 0.00 C ATOM 1954 CD2 PHE A 120 6.026 -8.465 -23.242 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.831 -10.339 -21.231 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.405 -8.142 -21.957 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.310 -9.076 -20.952 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.717 -10.188 -27.034 1.00 0.00 O ATOM 0 H PHE A 120 6.803 -12.717 -24.616 1.00 0.00 H new ATOM 0 HA PHE A 120 5.469 -11.302 -26.699 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.123 -9.174 -25.569 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.070 -10.425 -24.938 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.072 -11.657 -22.720 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.105 -7.723 -24.023 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.755 -11.073 -20.442 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.778 -7.152 -21.738 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.610 -8.821 -19.946 1.00 0.00 H new TER 1968 PHE A 120