USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 532 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 53 SER OG : rot 180:sc= 0.85 USER MOD Set 1.2: A 56 THR OG1 : rot 79:sc= 0.906 USER MOD Set 2.1: A 37 SER OG : rot -171:sc= 1.1 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.73 K(o=1.8,f=-0.31) USER MOD Set 3.1: A 14 CYS SG : rot -102:sc= 0.0809 USER MOD Set 3.2: A 15 ASN : amide:sc= 0.681 X(o=1.4,f=1.2) USER MOD Set 3.3: A 19 GLN : amide:sc= 0.631 K(o=1.4,f=0.82) USER MOD Set 4.1: A 13 THR OG1 : rot 58:sc= 0.748 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= -0.0965 USER MOD Set 4.3: A 17 CYS SG : rot 112:sc= 0.803 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.0866 K(o=0.17,f=-1.2) USER MOD Set 5.2: A 71 SER OG : rot 180:sc= 0.0809 USER MOD Single : A 1 LEU N :NH3+ -120:sc= -0.0073 (180deg=-0.903) USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.12 USER MOD Single : A 3 GLN : amide:sc= 0.721 K(o=0.72,f=-0.034) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 12 MET CE :methyl -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 20 SER OG : rot -22:sc= 0.454 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.151) USER MOD Single : A 33 SER OG : rot 153:sc= 0.146 USER MOD Single : A 41 SER OG : rot -12:sc= 0.679 USER MOD Single : A 42 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 41:sc= 0.166 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -174:sc= 0 (180deg=-0.0328) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.477 -24.794 2.507 1.00 0.00 N ATOM 2 CA LEU A 1 4.327 -24.296 1.727 1.00 0.00 C ATOM 3 C LEU A 1 4.418 -22.780 1.534 1.00 0.00 C ATOM 4 O LEU A 1 5.251 -22.120 2.152 1.00 0.00 O ATOM 5 CB LEU A 1 2.993 -24.690 2.392 1.00 0.00 C ATOM 6 CG LEU A 1 2.450 -26.087 2.035 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.969 -26.161 0.580 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.444 -27.217 2.321 1.00 0.00 C ATOM 0 H1 LEU A 1 6.008 -25.485 1.940 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.099 -23.998 2.755 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.135 -25.250 3.377 1.00 0.00 H new ATOM 0 HA LEU A 1 4.359 -24.765 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.118 -24.636 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.241 -23.949 2.121 1.00 0.00 H new ATOM 0 HG LEU A 1 1.595 -26.237 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.594 -27.163 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.171 -25.435 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.799 -25.937 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.997 -28.173 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.351 -27.060 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.692 -27.224 3.382 1.00 0.00 H new ATOM 22 N THR A 2 3.557 -22.231 0.668 1.00 0.00 N ATOM 23 CA THR A 2 3.440 -20.801 0.416 1.00 0.00 C ATOM 24 C THR A 2 1.957 -20.455 0.266 1.00 0.00 C ATOM 25 O THR A 2 1.264 -21.071 -0.541 1.00 0.00 O ATOM 26 CB THR A 2 4.240 -20.402 -0.837 1.00 0.00 C ATOM 27 OG1 THR A 2 3.852 -21.173 -1.954 1.00 0.00 O ATOM 28 CG2 THR A 2 5.749 -20.556 -0.627 1.00 0.00 C ATOM 0 H THR A 2 2.909 -22.789 0.112 1.00 0.00 H new ATOM 0 HA THR A 2 3.857 -20.240 1.252 1.00 0.00 H new ATOM 0 HB THR A 2 4.019 -19.351 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.906 -21.414 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.275 -20.264 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.068 -19.919 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.980 -21.595 -0.393 1.00 0.00 H new ATOM 36 N GLN A 3 1.476 -19.481 1.048 1.00 0.00 N ATOM 37 CA GLN A 3 0.103 -18.988 1.022 1.00 0.00 C ATOM 38 C GLN A 3 0.102 -17.477 1.255 1.00 0.00 C ATOM 39 O GLN A 3 1.107 -16.912 1.684 1.00 0.00 O ATOM 40 CB GLN A 3 -0.731 -19.685 2.111 1.00 0.00 C ATOM 41 CG GLN A 3 -1.082 -21.146 1.803 1.00 0.00 C ATOM 42 CD GLN A 3 -2.083 -21.273 0.656 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.289 -21.195 0.874 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.593 -21.473 -0.568 1.00 0.00 N ATOM 0 H GLN A 3 2.055 -19.002 1.737 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.338 -19.207 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.182 -19.647 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.655 -19.125 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.172 -21.690 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.495 -21.614 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.585 -21.532 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.226 -21.567 -1.362 1.00 0.00 H new ATOM 53 N GLU A 4 -1.041 -16.838 0.976 1.00 0.00 N ATOM 54 CA GLU A 4 -1.300 -15.432 1.261 1.00 0.00 C ATOM 55 C GLU A 4 -2.531 -15.325 2.160 1.00 0.00 C ATOM 56 O GLU A 4 -3.365 -16.231 2.165 1.00 0.00 O ATOM 57 CB GLU A 4 -1.500 -14.644 -0.039 1.00 0.00 C ATOM 58 CG GLU A 4 -0.274 -14.737 -0.954 1.00 0.00 C ATOM 59 CD GLU A 4 -0.349 -13.722 -2.091 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.252 -12.512 -1.787 1.00 0.00 O ATOM 61 OE2 GLU A 4 -0.504 -14.171 -3.247 1.00 0.00 O ATOM 0 H GLU A 4 -1.832 -17.305 0.532 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.441 -15.001 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.376 -15.025 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.700 -13.599 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.631 -14.566 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.202 -15.743 -1.367 1.00 0.00 H new ATOM 68 N THR A 5 -2.645 -14.232 2.926 1.00 0.00 N ATOM 69 CA THR A 5 -3.756 -14.025 3.845 1.00 0.00 C ATOM 70 C THR A 5 -4.033 -12.532 3.994 1.00 0.00 C ATOM 71 O THR A 5 -3.106 -11.744 4.177 1.00 0.00 O ATOM 72 CB THR A 5 -3.494 -14.716 5.196 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.605 -14.537 6.052 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.233 -14.223 5.914 1.00 0.00 C ATOM 0 H THR A 5 -1.966 -13.471 2.921 1.00 0.00 H new ATOM 0 HA THR A 5 -4.653 -14.488 3.434 1.00 0.00 H new ATOM 0 HB THR A 5 -3.338 -15.770 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.297 -14.211 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.119 -14.758 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.361 -14.405 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.321 -13.155 6.111 1.00 0.00 H new ATOM 82 N VAL A 6 -5.317 -12.162 3.914 1.00 0.00 N ATOM 83 CA VAL A 6 -5.792 -10.792 3.996 1.00 0.00 C ATOM 84 C VAL A 6 -6.300 -10.561 5.416 1.00 0.00 C ATOM 85 O VAL A 6 -7.423 -10.942 5.747 1.00 0.00 O ATOM 86 CB VAL A 6 -6.894 -10.550 2.947 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.293 -9.066 2.925 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.443 -10.982 1.544 1.00 0.00 C ATOM 0 H VAL A 6 -6.072 -12.836 3.786 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.990 -10.086 3.781 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.755 -11.156 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.072 -8.910 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.667 -8.775 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.423 -8.459 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.246 -10.796 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.561 -10.412 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.202 -12.045 1.551 1.00 0.00 H new ATOM 98 N ILE A 7 -5.465 -9.940 6.255 1.00 0.00 N ATOM 99 CA ILE A 7 -5.813 -9.583 7.620 1.00 0.00 C ATOM 100 C ILE A 7 -6.177 -8.103 7.599 1.00 0.00 C ATOM 101 O ILE A 7 -5.316 -7.275 7.325 1.00 0.00 O ATOM 102 CB ILE A 7 -4.636 -9.880 8.570 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.203 -11.352 8.425 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.049 -9.567 10.017 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.054 -11.746 9.356 1.00 0.00 C ATOM 0 H ILE A 7 -4.516 -9.670 5.994 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.654 -10.169 7.991 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.787 -9.248 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.059 -11.996 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.902 -11.534 7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.215 -9.778 10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.323 -8.515 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.902 -10.186 10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.802 -12.795 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.183 -11.128 9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.358 -11.597 10.392 1.00 0.00 H new ATOM 117 N ASN A 8 -7.440 -7.764 7.876 1.00 0.00 N ATOM 118 CA ASN A 8 -7.885 -6.381 7.969 1.00 0.00 C ATOM 119 C ASN A 8 -7.394 -5.792 9.288 1.00 0.00 C ATOM 120 O ASN A 8 -7.524 -6.429 10.332 1.00 0.00 O ATOM 121 CB ASN A 8 -9.409 -6.297 7.837 1.00 0.00 C ATOM 122 CG ASN A 8 -9.898 -6.747 6.458 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.146 -6.744 5.486 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.167 -7.146 6.369 1.00 0.00 N ATOM 0 H ASN A 8 -8.180 -8.447 8.041 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.464 -5.798 7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.873 -6.917 8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.731 -5.271 8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.541 -7.461 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.764 -7.136 7.196 1.00 0.00 H new ATOM 131 N ILE A 9 -6.812 -4.587 9.221 1.00 0.00 N ATOM 132 CA ILE A 9 -6.152 -3.915 10.331 1.00 0.00 C ATOM 133 C ILE A 9 -6.765 -2.523 10.464 1.00 0.00 C ATOM 134 O ILE A 9 -6.506 -1.656 9.630 1.00 0.00 O ATOM 135 CB ILE A 9 -4.630 -3.819 10.095 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.013 -5.170 9.701 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.971 -3.286 11.376 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.516 -5.074 9.385 1.00 0.00 C ATOM 0 H ILE A 9 -6.791 -4.041 8.360 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.298 -4.483 11.250 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.452 -3.140 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.163 -5.882 10.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.538 -5.563 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.894 -3.212 11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.374 -2.301 11.610 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.177 -3.967 12.202 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.137 -6.059 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.363 -4.385 8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.982 -4.709 10.262 1.00 0.00 H new ATOM 150 N ASP A 10 -7.561 -2.307 11.516 1.00 0.00 N ATOM 151 CA ASP A 10 -8.120 -1.000 11.831 1.00 0.00 C ATOM 152 C ASP A 10 -7.287 -0.352 12.940 1.00 0.00 C ATOM 153 O ASP A 10 -6.860 -1.027 13.878 1.00 0.00 O ATOM 154 CB ASP A 10 -9.597 -1.146 12.217 1.00 0.00 C ATOM 155 CG ASP A 10 -10.199 0.185 12.662 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.369 1.054 11.780 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.470 0.312 13.875 1.00 0.00 O ATOM 0 H ASP A 10 -7.833 -3.040 12.171 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.080 -0.347 10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.159 -1.533 11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.693 -1.876 13.021 1.00 0.00 H new ATOM 162 N GLY A 11 -7.056 0.963 12.810 1.00 0.00 N ATOM 163 CA GLY A 11 -6.317 1.781 13.764 1.00 0.00 C ATOM 164 C GLY A 11 -4.963 2.262 13.233 1.00 0.00 C ATOM 165 O GLY A 11 -4.199 2.850 13.996 1.00 0.00 O ATOM 0 H GLY A 11 -7.393 1.497 12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.922 2.647 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.158 1.207 14.677 1.00 0.00 H new ATOM 169 N MET A 12 -4.652 2.030 11.949 1.00 0.00 N ATOM 170 CA MET A 12 -3.387 2.442 11.354 1.00 0.00 C ATOM 171 C MET A 12 -3.428 3.936 11.024 1.00 0.00 C ATOM 172 O MET A 12 -4.086 4.339 10.067 1.00 0.00 O ATOM 173 CB MET A 12 -3.090 1.617 10.093 1.00 0.00 C ATOM 174 CG MET A 12 -3.027 0.115 10.385 1.00 0.00 C ATOM 175 SD MET A 12 -2.328 -0.894 9.051 1.00 0.00 S ATOM 176 CE MET A 12 -3.525 -0.595 7.729 1.00 0.00 C ATOM 0 H MET A 12 -5.276 1.551 11.300 1.00 0.00 H new ATOM 0 HA MET A 12 -2.586 2.264 12.072 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.861 1.808 9.346 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.142 1.942 9.663 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.435 -0.040 11.287 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.035 -0.241 10.600 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.260 -1.192 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.522 -0.874 8.071 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.516 0.462 7.462 1.00 0.00 H new ATOM 186 N THR A 13 -2.725 4.757 11.813 1.00 0.00 N ATOM 187 CA THR A 13 -2.690 6.203 11.633 1.00 0.00 C ATOM 188 C THR A 13 -1.737 6.598 10.498 1.00 0.00 C ATOM 189 O THR A 13 -0.550 6.846 10.716 1.00 0.00 O ATOM 190 CB THR A 13 -2.370 6.913 12.959 1.00 0.00 C ATOM 191 OG1 THR A 13 -1.229 6.357 13.575 1.00 0.00 O ATOM 192 CG2 THR A 13 -3.547 6.809 13.934 1.00 0.00 C ATOM 0 H THR A 13 -2.162 4.429 12.598 1.00 0.00 H new ATOM 0 HA THR A 13 -3.682 6.539 11.330 1.00 0.00 H new ATOM 0 HB THR A 13 -2.180 7.959 12.720 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.464 6.421 12.965 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.295 7.319 14.864 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.428 7.274 13.492 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.756 5.760 14.141 1.00 0.00 H new ATOM 200 N CYS A 14 -2.301 6.671 9.285 1.00 0.00 N ATOM 201 CA CYS A 14 -1.704 7.227 8.076 1.00 0.00 C ATOM 202 C CYS A 14 -0.548 6.392 7.518 1.00 0.00 C ATOM 203 O CYS A 14 -0.744 5.640 6.566 1.00 0.00 O ATOM 204 CB CYS A 14 -1.333 8.704 8.277 1.00 0.00 C ATOM 205 SG CYS A 14 -0.778 9.409 6.702 1.00 0.00 S ATOM 0 H CYS A 14 -3.244 6.320 9.118 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.469 7.181 7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.193 9.258 8.652 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.545 8.793 9.025 1.00 0.00 H new ATOM 0 HG CYS A 14 0.519 9.491 6.697 1.00 0.00 H new ATOM 211 N ASN A 15 0.652 6.548 8.087 1.00 0.00 N ATOM 212 CA ASN A 15 1.890 6.003 7.537 1.00 0.00 C ATOM 213 C ASN A 15 2.787 5.420 8.627 1.00 0.00 C ATOM 214 O ASN A 15 3.411 4.386 8.408 1.00 0.00 O ATOM 215 CB ASN A 15 2.617 7.086 6.726 1.00 0.00 C ATOM 216 CG ASN A 15 3.112 8.240 7.597 1.00 0.00 C ATOM 217 OD1 ASN A 15 2.338 9.125 7.956 1.00 0.00 O ATOM 218 ND2 ASN A 15 4.399 8.233 7.947 1.00 0.00 N ATOM 0 H ASN A 15 0.789 7.065 8.956 1.00 0.00 H new ATOM 0 HA ASN A 15 1.638 5.178 6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.464 6.638 6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.944 7.475 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.772 8.980 8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.010 7.481 7.629 1.00 0.00 H new ATOM 225 N SER A 16 2.853 6.073 9.794 1.00 0.00 N ATOM 226 CA SER A 16 3.672 5.654 10.925 1.00 0.00 C ATOM 227 C SER A 16 3.445 4.175 11.251 1.00 0.00 C ATOM 228 O SER A 16 4.384 3.382 11.297 1.00 0.00 O ATOM 229 CB SER A 16 3.345 6.547 12.130 1.00 0.00 C ATOM 230 OG SER A 16 1.969 6.489 12.459 1.00 0.00 O ATOM 0 H SER A 16 2.324 6.926 9.976 1.00 0.00 H new ATOM 0 HA SER A 16 4.726 5.764 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.939 6.234 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.624 7.577 11.908 1.00 0.00 H new ATOM 0 HG SER A 16 1.793 7.067 13.231 1.00 0.00 H new ATOM 236 N CYS A 17 2.175 3.826 11.465 1.00 0.00 N ATOM 237 CA CYS A 17 1.731 2.490 11.816 1.00 0.00 C ATOM 238 C CYS A 17 1.929 1.519 10.657 1.00 0.00 C ATOM 239 O CYS A 17 2.401 0.407 10.868 1.00 0.00 O ATOM 240 CB CYS A 17 0.269 2.555 12.251 1.00 0.00 C ATOM 241 SG CYS A 17 0.194 3.502 13.793 1.00 0.00 S ATOM 0 H CYS A 17 1.407 4.494 11.395 1.00 0.00 H new ATOM 0 HA CYS A 17 2.333 2.113 12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.338 3.030 11.481 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.131 1.552 12.399 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.420 4.628 13.581 1.00 0.00 H new ATOM 247 N VAL A 18 1.579 1.937 9.436 1.00 0.00 N ATOM 248 CA VAL A 18 1.728 1.137 8.225 1.00 0.00 C ATOM 249 C VAL A 18 3.173 0.638 8.100 1.00 0.00 C ATOM 250 O VAL A 18 3.408 -0.556 7.913 1.00 0.00 O ATOM 251 CB VAL A 18 1.299 1.971 7.004 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.469 1.206 5.688 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.168 2.403 7.127 1.00 0.00 C ATOM 0 H VAL A 18 1.177 2.858 9.263 1.00 0.00 H new ATOM 0 HA VAL A 18 1.084 0.259 8.276 1.00 0.00 H new ATOM 0 HB VAL A 18 1.951 2.845 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.153 1.837 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.516 0.933 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.859 0.303 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.449 2.991 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.803 1.520 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.296 3.006 8.026 1.00 0.00 H new ATOM 263 N GLN A 19 4.132 1.564 8.223 1.00 0.00 N ATOM 264 CA GLN A 19 5.559 1.295 8.149 1.00 0.00 C ATOM 265 C GLN A 19 6.005 0.343 9.261 1.00 0.00 C ATOM 266 O GLN A 19 6.689 -0.638 8.978 1.00 0.00 O ATOM 267 CB GLN A 19 6.333 2.616 8.222 1.00 0.00 C ATOM 268 CG GLN A 19 6.147 3.456 6.951 1.00 0.00 C ATOM 269 CD GLN A 19 6.692 4.869 7.139 1.00 0.00 C ATOM 270 OE1 GLN A 19 5.931 5.831 7.202 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.017 4.999 7.229 1.00 0.00 N ATOM 0 H GLN A 19 3.921 2.549 8.382 1.00 0.00 H new ATOM 0 HA GLN A 19 5.772 0.806 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.997 3.187 9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.393 2.409 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.657 2.975 6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.089 3.503 6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.615 4.175 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.431 5.922 7.355 1.00 0.00 H new ATOM 280 N SER A 20 5.636 0.628 10.518 1.00 0.00 N ATOM 281 CA SER A 20 6.069 -0.174 11.656 1.00 0.00 C ATOM 282 C SER A 20 5.558 -1.615 11.555 1.00 0.00 C ATOM 283 O SER A 20 6.330 -2.550 11.755 1.00 0.00 O ATOM 284 CB SER A 20 5.673 0.495 12.977 1.00 0.00 C ATOM 285 OG SER A 20 4.274 0.613 13.106 1.00 0.00 O ATOM 0 H SER A 20 5.035 1.414 10.766 1.00 0.00 H new ATOM 0 HA SER A 20 7.157 -0.230 11.637 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.067 -0.086 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.128 1.484 13.034 1.00 0.00 H new ATOM 0 HG SER A 20 3.859 0.575 12.219 1.00 0.00 H new ATOM 291 N ILE A 21 4.271 -1.792 11.231 1.00 0.00 N ATOM 292 CA ILE A 21 3.659 -3.100 11.029 1.00 0.00 C ATOM 293 C ILE A 21 4.410 -3.838 9.921 1.00 0.00 C ATOM 294 O ILE A 21 4.857 -4.961 10.135 1.00 0.00 O ATOM 295 CB ILE A 21 2.161 -2.954 10.698 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.389 -2.370 11.896 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.547 -4.313 10.318 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.045 -1.787 11.454 1.00 0.00 C ATOM 0 H ILE A 21 3.621 -1.016 11.101 1.00 0.00 H new ATOM 0 HA ILE A 21 3.729 -3.683 11.947 1.00 0.00 H new ATOM 0 HB ILE A 21 2.079 -2.274 9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.224 -3.149 12.641 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.986 -1.593 12.374 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.489 -4.183 10.089 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.061 -4.713 9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.655 -5.007 11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.478 -1.382 12.320 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.214 -0.992 10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.560 -2.571 10.999 1.00 0.00 H new ATOM 310 N GLU A 22 4.550 -3.203 8.749 1.00 0.00 N ATOM 311 CA GLU A 22 5.224 -3.775 7.591 1.00 0.00 C ATOM 312 C GLU A 22 6.599 -4.314 7.993 1.00 0.00 C ATOM 313 O GLU A 22 6.873 -5.499 7.814 1.00 0.00 O ATOM 314 CB GLU A 22 5.297 -2.713 6.478 1.00 0.00 C ATOM 315 CG GLU A 22 5.668 -3.273 5.098 1.00 0.00 C ATOM 316 CD GLU A 22 7.096 -3.812 5.024 1.00 0.00 C ATOM 317 OE1 GLU A 22 8.019 -3.023 5.324 1.00 0.00 O ATOM 318 OE2 GLU A 22 7.243 -5.002 4.672 1.00 0.00 O ATOM 0 H GLU A 22 4.190 -2.263 8.584 1.00 0.00 H new ATOM 0 HA GLU A 22 4.662 -4.624 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.332 -2.211 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.030 -1.957 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.973 -4.072 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.545 -2.489 4.351 1.00 0.00 H new ATOM 325 N GLY A 23 7.451 -3.444 8.550 1.00 0.00 N ATOM 326 CA GLY A 23 8.807 -3.778 8.950 1.00 0.00 C ATOM 327 C GLY A 23 8.849 -4.940 9.941 1.00 0.00 C ATOM 328 O GLY A 23 9.512 -5.942 9.683 1.00 0.00 O ATOM 0 H GLY A 23 7.204 -2.472 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.391 -4.035 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.277 -2.903 9.399 1.00 0.00 H new ATOM 332 N VAL A 24 8.151 -4.805 11.076 1.00 0.00 N ATOM 333 CA VAL A 24 8.193 -5.784 12.155 1.00 0.00 C ATOM 334 C VAL A 24 7.669 -7.143 11.686 1.00 0.00 C ATOM 335 O VAL A 24 8.365 -8.145 11.841 1.00 0.00 O ATOM 336 CB VAL A 24 7.441 -5.251 13.386 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.316 -6.330 14.468 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.194 -4.055 13.989 1.00 0.00 C ATOM 0 H VAL A 24 7.542 -4.010 11.266 1.00 0.00 H new ATOM 0 HA VAL A 24 9.230 -5.941 12.452 1.00 0.00 H new ATOM 0 HB VAL A 24 6.447 -4.950 13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.780 -5.924 15.326 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.769 -7.184 14.069 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.310 -6.650 14.779 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.653 -3.686 14.860 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.194 -4.368 14.289 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.271 -3.261 13.246 1.00 0.00 H new ATOM 348 N ILE A 25 6.458 -7.188 11.119 1.00 0.00 N ATOM 349 CA ILE A 25 5.836 -8.435 10.694 1.00 0.00 C ATOM 350 C ILE A 25 6.675 -9.124 9.612 1.00 0.00 C ATOM 351 O ILE A 25 6.784 -10.348 9.630 1.00 0.00 O ATOM 352 CB ILE A 25 4.371 -8.210 10.276 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.516 -7.592 11.403 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.731 -9.524 9.802 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.341 -8.477 12.642 1.00 0.00 C ATOM 0 H ILE A 25 5.888 -6.360 10.945 1.00 0.00 H new ATOM 0 HA ILE A 25 5.808 -9.119 11.542 1.00 0.00 H new ATOM 0 HB ILE A 25 4.394 -7.496 9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.971 -6.650 11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.530 -7.354 11.002 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.696 -9.341 9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.285 -9.911 8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.757 -10.254 10.611 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.726 -7.957 13.377 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.855 -9.410 12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.318 -8.694 13.075 1.00 0.00 H new ATOM 367 N SER A 26 7.297 -8.365 8.695 1.00 0.00 N ATOM 368 CA SER A 26 8.213 -8.930 7.707 1.00 0.00 C ATOM 369 C SER A 26 9.337 -9.758 8.349 1.00 0.00 C ATOM 370 O SER A 26 9.830 -10.692 7.719 1.00 0.00 O ATOM 371 CB SER A 26 8.804 -7.823 6.825 1.00 0.00 C ATOM 372 OG SER A 26 9.506 -8.389 5.738 1.00 0.00 O ATOM 0 H SER A 26 7.177 -7.355 8.623 1.00 0.00 H new ATOM 0 HA SER A 26 7.628 -9.610 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.007 -7.177 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.474 -7.197 7.414 1.00 0.00 H new ATOM 0 HG SER A 26 9.878 -7.674 5.181 1.00 0.00 H new ATOM 378 N LYS A 27 9.744 -9.425 9.583 1.00 0.00 N ATOM 379 CA LYS A 27 10.827 -10.099 10.291 1.00 0.00 C ATOM 380 C LYS A 27 10.342 -11.292 11.125 1.00 0.00 C ATOM 381 O LYS A 27 11.172 -12.105 11.532 1.00 0.00 O ATOM 382 CB LYS A 27 11.587 -9.094 11.171 1.00 0.00 C ATOM 383 CG LYS A 27 12.304 -8.037 10.321 1.00 0.00 C ATOM 384 CD LYS A 27 13.154 -7.082 11.169 1.00 0.00 C ATOM 385 CE LYS A 27 12.303 -6.169 12.059 1.00 0.00 C ATOM 386 NZ LYS A 27 13.141 -5.196 12.780 1.00 0.00 N ATOM 0 H LYS A 27 9.320 -8.668 10.119 1.00 0.00 H new ATOM 0 HA LYS A 27 11.502 -10.504 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.891 -8.605 11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.315 -9.624 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.941 -8.534 9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.566 -7.462 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.832 -7.663 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.771 -6.470 10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.571 -5.640 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.744 -6.772 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.538 -4.592 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.823 -5.702 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.655 -4.606 12.095 1.00 0.00 H new ATOM 400 N LYS A 28 9.032 -11.430 11.385 1.00 0.00 N ATOM 401 CA LYS A 28 8.509 -12.608 12.075 1.00 0.00 C ATOM 402 C LYS A 28 8.734 -13.866 11.223 1.00 0.00 C ATOM 403 O LYS A 28 8.640 -13.803 9.996 1.00 0.00 O ATOM 404 CB LYS A 28 7.025 -12.438 12.446 1.00 0.00 C ATOM 405 CG LYS A 28 6.812 -11.836 13.843 1.00 0.00 C ATOM 406 CD LYS A 28 7.473 -10.470 14.049 1.00 0.00 C ATOM 407 CE LYS A 28 7.158 -9.899 15.437 1.00 0.00 C ATOM 408 NZ LYS A 28 7.694 -10.740 16.519 1.00 0.00 N ATOM 0 H LYS A 28 8.324 -10.742 11.128 1.00 0.00 H new ATOM 0 HA LYS A 28 9.057 -12.724 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.544 -11.799 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.532 -13.409 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.742 -11.740 14.025 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.200 -12.530 14.588 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.552 -10.565 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.127 -9.777 13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.576 -8.895 15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.078 -9.805 15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.608 -10.237 17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.158 -11.630 16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.696 -10.949 16.333 1.00 0.00 H new ATOM 422 N PRO A 29 9.038 -15.012 11.857 1.00 0.00 N ATOM 423 CA PRO A 29 9.375 -16.241 11.159 1.00 0.00 C ATOM 424 C PRO A 29 8.180 -16.734 10.350 1.00 0.00 C ATOM 425 O PRO A 29 7.034 -16.610 10.783 1.00 0.00 O ATOM 426 CB PRO A 29 9.785 -17.240 12.246 1.00 0.00 C ATOM 427 CG PRO A 29 9.030 -16.744 13.477 1.00 0.00 C ATOM 428 CD PRO A 29 9.051 -15.228 13.294 1.00 0.00 C ATOM 0 HA PRO A 29 10.186 -16.101 10.444 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.502 -18.259 11.984 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.863 -17.240 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.013 -17.134 13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.520 -17.047 14.402 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.187 -14.763 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.939 -14.790 13.749 1.00 0.00 H new ATOM 436 N GLY A 30 8.458 -17.273 9.159 1.00 0.00 N ATOM 437 CA GLY A 30 7.437 -17.744 8.242 1.00 0.00 C ATOM 438 C GLY A 30 6.999 -16.666 7.256 1.00 0.00 C ATOM 439 O GLY A 30 6.617 -17.008 6.139 1.00 0.00 O ATOM 0 H GLY A 30 9.409 -17.392 8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.817 -18.604 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.572 -18.086 8.810 1.00 0.00 H new ATOM 443 N VAL A 31 7.043 -15.383 7.645 1.00 0.00 N ATOM 444 CA VAL A 31 6.633 -14.295 6.769 1.00 0.00 C ATOM 445 C VAL A 31 7.679 -14.091 5.676 1.00 0.00 C ATOM 446 O VAL A 31 8.873 -14.007 5.957 1.00 0.00 O ATOM 447 CB VAL A 31 6.387 -12.999 7.559 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.913 -11.879 6.621 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.308 -13.232 8.619 1.00 0.00 C ATOM 0 H VAL A 31 7.361 -15.081 8.566 1.00 0.00 H new ATOM 0 HA VAL A 31 5.686 -14.564 6.300 1.00 0.00 H new ATOM 0 HB VAL A 31 7.324 -12.707 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.744 -10.969 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.674 -11.692 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.984 -12.179 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.139 -12.310 9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.381 -13.538 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.634 -14.014 9.305 1.00 0.00 H new ATOM 459 N LYS A 32 7.204 -14.001 4.431 1.00 0.00 N ATOM 460 CA LYS A 32 7.984 -13.653 3.261 1.00 0.00 C ATOM 461 C LYS A 32 7.907 -12.127 3.135 1.00 0.00 C ATOM 462 O LYS A 32 8.546 -11.419 3.912 1.00 0.00 O ATOM 463 CB LYS A 32 7.406 -14.400 2.045 1.00 0.00 C ATOM 464 CG LYS A 32 7.551 -15.924 2.161 1.00 0.00 C ATOM 465 CD LYS A 32 6.578 -16.654 1.224 1.00 0.00 C ATOM 466 CE LYS A 32 6.764 -16.263 -0.247 1.00 0.00 C ATOM 467 NZ LYS A 32 5.839 -17.008 -1.115 1.00 0.00 N ATOM 0 H LYS A 32 6.224 -14.178 4.212 1.00 0.00 H new ATOM 0 HA LYS A 32 9.031 -13.946 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.351 -14.147 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.911 -14.059 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.574 -16.213 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.366 -16.231 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.717 -17.730 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.554 -16.434 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.596 -15.193 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.792 -16.460 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.762 -16.527 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.199 -17.973 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.901 -17.051 -0.667 1.00 0.00 H new ATOM 481 N SER A 33 7.120 -11.622 2.180 1.00 0.00 N ATOM 482 CA SER A 33 6.764 -10.217 2.052 1.00 0.00 C ATOM 483 C SER A 33 5.470 -9.923 2.816 1.00 0.00 C ATOM 484 O SER A 33 4.726 -10.832 3.186 1.00 0.00 O ATOM 485 CB SER A 33 6.612 -9.883 0.565 1.00 0.00 C ATOM 486 OG SER A 33 5.655 -10.743 -0.013 1.00 0.00 O ATOM 0 H SER A 33 6.703 -12.204 1.454 1.00 0.00 H new ATOM 0 HA SER A 33 7.548 -9.594 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.304 -8.844 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.570 -9.993 0.057 1.00 0.00 H new ATOM 0 HG SER A 33 5.238 -10.299 -0.781 1.00 0.00 H new ATOM 492 N ILE A 34 5.195 -8.631 3.024 1.00 0.00 N ATOM 493 CA ILE A 34 3.929 -8.131 3.535 1.00 0.00 C ATOM 494 C ILE A 34 3.679 -6.757 2.916 1.00 0.00 C ATOM 495 O ILE A 34 4.578 -5.919 2.886 1.00 0.00 O ATOM 496 CB ILE A 34 3.904 -8.107 5.076 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.568 -7.504 5.548 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.096 -7.356 5.683 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.386 -7.548 7.066 1.00 0.00 C ATOM 0 H ILE A 34 5.870 -7.890 2.834 1.00 0.00 H new ATOM 0 HA ILE A 34 3.118 -8.801 3.250 1.00 0.00 H new ATOM 0 HB ILE A 34 3.992 -9.134 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.506 -6.469 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.747 -8.043 5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.022 -7.374 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.024 -7.837 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.090 -6.323 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.425 -7.107 7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.417 -8.583 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.187 -6.985 7.545 1.00 0.00 H new ATOM 511 N ARG A 35 2.459 -6.549 2.408 1.00 0.00 N ATOM 512 CA ARG A 35 2.035 -5.310 1.777 1.00 0.00 C ATOM 513 C ARG A 35 0.912 -4.732 2.639 1.00 0.00 C ATOM 514 O ARG A 35 -0.203 -5.255 2.625 1.00 0.00 O ATOM 515 CB ARG A 35 1.551 -5.566 0.339 1.00 0.00 C ATOM 516 CG ARG A 35 2.612 -6.064 -0.660 1.00 0.00 C ATOM 517 CD ARG A 35 3.169 -7.475 -0.412 1.00 0.00 C ATOM 518 NE ARG A 35 2.127 -8.444 -0.037 1.00 0.00 N ATOM 519 CZ ARG A 35 1.376 -9.168 -0.883 1.00 0.00 C ATOM 520 NH1 ARG A 35 1.491 -9.030 -2.212 1.00 0.00 N ATOM 521 NH2 ARG A 35 0.500 -10.047 -0.383 1.00 0.00 N ATOM 0 H ARG A 35 1.727 -7.259 2.429 1.00 0.00 H new ATOM 0 HA ARG A 35 2.865 -4.607 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.745 -6.298 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.124 -4.641 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.180 -6.037 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.445 -5.361 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.675 -7.824 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.918 -7.431 0.378 1.00 0.00 H new ATOM 0 HE ARG A 35 1.959 -8.579 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.160 -8.364 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.910 -9.591 -2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.410 -10.159 0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.078 -10.605 -1.012 1.00 0.00 H new ATOM 535 N VAL A 36 1.212 -3.669 3.396 1.00 0.00 N ATOM 536 CA VAL A 36 0.262 -3.012 4.284 1.00 0.00 C ATOM 537 C VAL A 36 -0.310 -1.781 3.576 1.00 0.00 C ATOM 538 O VAL A 36 0.440 -0.875 3.218 1.00 0.00 O ATOM 539 CB VAL A 36 0.923 -2.658 5.628 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.142 -2.196 6.632 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.657 -3.859 6.236 1.00 0.00 C ATOM 0 H VAL A 36 2.137 -3.240 3.404 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.560 -3.689 4.515 1.00 0.00 H new ATOM 0 HB VAL A 36 1.642 -1.863 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.335 -1.948 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.653 -1.316 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.866 -2.996 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.110 -3.567 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.949 -4.670 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.435 -4.195 5.551 1.00 0.00 H new ATOM 551 N SER A 37 -1.633 -1.761 3.373 1.00 0.00 N ATOM 552 CA SER A 37 -2.356 -0.691 2.696 1.00 0.00 C ATOM 553 C SER A 37 -3.199 0.091 3.702 1.00 0.00 C ATOM 554 O SER A 37 -4.022 -0.491 4.407 1.00 0.00 O ATOM 555 CB SER A 37 -3.249 -1.289 1.605 1.00 0.00 C ATOM 556 OG SER A 37 -4.049 -0.284 1.014 1.00 0.00 O ATOM 0 H SER A 37 -2.244 -2.515 3.687 1.00 0.00 H new ATOM 0 HA SER A 37 -1.642 -0.007 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.633 -1.766 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.885 -2.064 2.032 1.00 0.00 H new ATOM 0 HG SER A 37 -4.709 -0.698 0.419 1.00 0.00 H new ATOM 562 N LEU A 38 -3.002 1.415 3.736 1.00 0.00 N ATOM 563 CA LEU A 38 -3.828 2.349 4.488 1.00 0.00 C ATOM 564 C LEU A 38 -5.223 2.395 3.863 1.00 0.00 C ATOM 565 O LEU A 38 -6.218 2.220 4.563 1.00 0.00 O ATOM 566 CB LEU A 38 -3.149 3.730 4.475 1.00 0.00 C ATOM 567 CG LEU A 38 -3.781 4.834 5.345 1.00 0.00 C ATOM 568 CD1 LEU A 38 -5.088 5.407 4.781 1.00 0.00 C ATOM 569 CD2 LEU A 38 -3.974 4.396 6.802 1.00 0.00 C ATOM 0 H LEU A 38 -2.244 1.870 3.227 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.935 2.031 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.114 3.601 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.124 4.085 3.445 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.051 5.643 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.467 6.177 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.901 5.841 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.826 4.610 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.422 5.211 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.629 3.526 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.008 4.140 7.236 1.00 0.00 H new ATOM 581 N ALA A 39 -5.275 2.628 2.543 1.00 0.00 N ATOM 582 CA ALA A 39 -6.496 2.785 1.763 1.00 0.00 C ATOM 583 C ALA A 39 -7.464 1.617 1.963 1.00 0.00 C ATOM 584 O ALA A 39 -8.654 1.838 2.173 1.00 0.00 O ATOM 585 CB ALA A 39 -6.135 2.939 0.284 1.00 0.00 C ATOM 0 H ALA A 39 -4.432 2.714 1.975 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.009 3.681 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.046 3.057 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.503 3.818 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.598 2.053 -0.054 1.00 0.00 H new ATOM 591 N ASN A 40 -6.951 0.381 1.909 1.00 0.00 N ATOM 592 CA ASN A 40 -7.749 -0.823 2.113 1.00 0.00 C ATOM 593 C ASN A 40 -7.794 -1.221 3.593 1.00 0.00 C ATOM 594 O ASN A 40 -8.544 -2.128 3.951 1.00 0.00 O ATOM 595 CB ASN A 40 -7.180 -1.968 1.268 1.00 0.00 C ATOM 596 CG ASN A 40 -7.111 -1.611 -0.215 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.028 -1.399 -0.753 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.267 -1.543 -0.878 1.00 0.00 N ATOM 0 H ASN A 40 -5.966 0.193 1.721 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.771 -0.614 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.182 -2.220 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.799 -2.856 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.273 -1.307 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.145 -1.727 -0.392 1.00 0.00 H new ATOM 605 N SER A 41 -7.005 -0.550 4.446 1.00 0.00 N ATOM 606 CA SER A 41 -6.938 -0.756 5.886 1.00 0.00 C ATOM 607 C SER A 41 -6.692 -2.226 6.214 1.00 0.00 C ATOM 608 O SER A 41 -7.452 -2.841 6.960 1.00 0.00 O ATOM 609 CB SER A 41 -8.195 -0.193 6.564 1.00 0.00 C ATOM 610 OG SER A 41 -8.409 1.143 6.157 1.00 0.00 O ATOM 0 H SER A 41 -6.371 0.183 4.128 1.00 0.00 H new ATOM 0 HA SER A 41 -6.087 -0.206 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.061 -0.803 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.084 -0.238 7.647 1.00 0.00 H new ATOM 0 HG SER A 41 -7.610 1.477 5.697 1.00 0.00 H new ATOM 616 N ASN A 42 -5.627 -2.790 5.633 1.00 0.00 N ATOM 617 CA ASN A 42 -5.317 -4.204 5.762 1.00 0.00 C ATOM 618 C ASN A 42 -3.835 -4.474 5.533 1.00 0.00 C ATOM 619 O ASN A 42 -3.097 -3.611 5.060 1.00 0.00 O ATOM 620 CB ASN A 42 -6.221 -5.041 4.837 1.00 0.00 C ATOM 621 CG ASN A 42 -5.988 -4.842 3.340 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.047 -4.177 2.915 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.862 -5.432 2.523 1.00 0.00 N ATOM 0 H ASN A 42 -4.960 -2.272 5.061 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.527 -4.512 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.077 -6.095 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.261 -4.803 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.760 -5.338 1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.633 -5.978 2.909 1.00 0.00 H new ATOM 630 N GLY A 43 -3.427 -5.697 5.876 1.00 0.00 N ATOM 631 CA GLY A 43 -2.119 -6.262 5.628 1.00 0.00 C ATOM 632 C GLY A 43 -2.319 -7.566 4.873 1.00 0.00 C ATOM 633 O GLY A 43 -2.924 -8.498 5.405 1.00 0.00 O ATOM 0 H GLY A 43 -4.043 -6.349 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.508 -5.572 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.594 -6.439 6.567 1.00 0.00 H new ATOM 637 N THR A 44 -1.802 -7.632 3.640 1.00 0.00 N ATOM 638 CA THR A 44 -1.826 -8.840 2.837 1.00 0.00 C ATOM 639 C THR A 44 -0.453 -9.479 2.995 1.00 0.00 C ATOM 640 O THR A 44 0.528 -9.023 2.404 1.00 0.00 O ATOM 641 CB THR A 44 -2.174 -8.532 1.376 1.00 0.00 C ATOM 642 OG1 THR A 44 -1.301 -7.568 0.837 1.00 0.00 O ATOM 643 CG2 THR A 44 -3.608 -8.019 1.273 1.00 0.00 C ATOM 0 H THR A 44 -1.355 -6.840 3.178 1.00 0.00 H new ATOM 0 HA THR A 44 -2.602 -9.529 3.169 1.00 0.00 H new ATOM 0 HB THR A 44 -2.070 -9.457 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.386 -7.751 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.843 -7.804 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.294 -8.777 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.712 -7.109 1.864 1.00 0.00 H new ATOM 651 N VAL A 45 -0.401 -10.522 3.826 1.00 0.00 N ATOM 652 CA VAL A 45 0.833 -11.135 4.278 1.00 0.00 C ATOM 653 C VAL A 45 1.071 -12.375 3.430 1.00 0.00 C ATOM 654 O VAL A 45 0.181 -13.218 3.331 1.00 0.00 O ATOM 655 CB VAL A 45 0.728 -11.521 5.768 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.131 -11.802 6.319 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.043 -10.444 6.620 1.00 0.00 C ATOM 0 H VAL A 45 -1.236 -10.967 4.207 1.00 0.00 H new ATOM 0 HA VAL A 45 1.663 -10.436 4.173 1.00 0.00 H new ATOM 0 HB VAL A 45 0.105 -12.413 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.060 -12.075 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.584 -12.622 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.748 -10.909 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.001 -10.774 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.611 -9.516 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.968 -10.276 6.250 1.00 0.00 H new ATOM 667 N GLU A 46 2.261 -12.484 2.830 1.00 0.00 N ATOM 668 CA GLU A 46 2.707 -13.696 2.163 1.00 0.00 C ATOM 669 C GLU A 46 3.519 -14.481 3.188 1.00 0.00 C ATOM 670 O GLU A 46 4.413 -13.911 3.809 1.00 0.00 O ATOM 671 CB GLU A 46 3.531 -13.349 0.917 1.00 0.00 C ATOM 672 CG GLU A 46 2.765 -12.365 0.023 1.00 0.00 C ATOM 673 CD GLU A 46 3.222 -12.415 -1.433 1.00 0.00 C ATOM 674 OE1 GLU A 46 3.089 -13.505 -2.033 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.687 -11.366 -1.928 1.00 0.00 O ATOM 0 H GLU A 46 2.941 -11.724 2.797 1.00 0.00 H new ATOM 0 HA GLU A 46 1.867 -14.296 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.485 -12.913 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.756 -14.257 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.699 -12.589 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.897 -11.353 0.407 1.00 0.00 H new ATOM 682 N TYR A 47 3.188 -15.759 3.406 1.00 0.00 N ATOM 683 CA TYR A 47 3.746 -16.537 4.504 1.00 0.00 C ATOM 684 C TYR A 47 3.822 -18.027 4.173 1.00 0.00 C ATOM 685 O TYR A 47 3.270 -18.474 3.168 1.00 0.00 O ATOM 686 CB TYR A 47 2.909 -16.303 5.772 1.00 0.00 C ATOM 687 CG TYR A 47 1.548 -16.978 5.755 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.531 -16.497 4.911 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.329 -18.149 6.508 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.681 -17.197 4.797 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.095 -18.817 6.432 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.902 -18.354 5.559 1.00 0.00 C ATOM 693 OH TYR A 47 -2.083 -19.026 5.446 1.00 0.00 O ATOM 0 H TYR A 47 2.528 -16.276 2.825 1.00 0.00 H new ATOM 0 HA TYR A 47 4.769 -16.201 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.469 -16.663 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.768 -15.231 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.683 -15.587 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.112 -18.534 7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.445 -16.844 4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.086 -19.687 7.046 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.074 -19.805 6.041 1.00 0.00 H new ATOM 703 N ASP A 48 4.497 -18.784 5.048 1.00 0.00 N ATOM 704 CA ASP A 48 4.587 -20.237 5.007 1.00 0.00 C ATOM 705 C ASP A 48 3.707 -20.829 6.119 1.00 0.00 C ATOM 706 O ASP A 48 4.049 -20.674 7.291 1.00 0.00 O ATOM 707 CB ASP A 48 6.055 -20.656 5.186 1.00 0.00 C ATOM 708 CG ASP A 48 6.278 -22.172 5.178 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.300 -22.921 4.964 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.446 -22.562 5.389 1.00 0.00 O ATOM 0 H ASP A 48 5.012 -18.380 5.830 1.00 0.00 H new ATOM 0 HA ASP A 48 4.233 -20.613 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.649 -20.208 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.425 -20.250 6.127 1.00 0.00 H new ATOM 715 N PRO A 49 2.603 -21.521 5.774 1.00 0.00 N ATOM 716 CA PRO A 49 1.757 -22.278 6.692 1.00 0.00 C ATOM 717 C PRO A 49 2.508 -23.115 7.729 1.00 0.00 C ATOM 718 O PRO A 49 2.082 -23.188 8.880 1.00 0.00 O ATOM 719 CB PRO A 49 0.886 -23.166 5.803 1.00 0.00 C ATOM 720 CG PRO A 49 0.707 -22.301 4.561 1.00 0.00 C ATOM 721 CD PRO A 49 2.072 -21.628 4.424 1.00 0.00 C ATOM 0 HA PRO A 49 1.183 -21.580 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.373 -24.114 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.068 -23.404 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.460 -22.898 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.094 -21.572 4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.735 -22.216 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.978 -20.645 3.963 1.00 0.00 H new ATOM 729 N LEU A 50 3.615 -23.752 7.327 1.00 0.00 N ATOM 730 CA LEU A 50 4.404 -24.614 8.198 1.00 0.00 C ATOM 731 C LEU A 50 4.990 -23.841 9.383 1.00 0.00 C ATOM 732 O LEU A 50 5.102 -24.393 10.476 1.00 0.00 O ATOM 733 CB LEU A 50 5.534 -25.279 7.400 1.00 0.00 C ATOM 734 CG LEU A 50 5.065 -26.110 6.193 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.297 -26.626 5.440 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.193 -27.298 6.620 1.00 0.00 C ATOM 0 H LEU A 50 3.986 -23.679 6.380 1.00 0.00 H new ATOM 0 HA LEU A 50 3.737 -25.379 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.216 -24.505 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.102 -25.925 8.070 1.00 0.00 H new ATOM 0 HG LEU A 50 4.459 -25.470 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.978 -27.217 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.894 -25.781 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.896 -27.247 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.883 -27.858 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.764 -27.950 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.311 -26.932 7.145 1.00 0.00 H new ATOM 748 N LEU A 51 5.379 -22.579 9.161 1.00 0.00 N ATOM 749 CA LEU A 51 6.114 -21.766 10.120 1.00 0.00 C ATOM 750 C LEU A 51 5.201 -20.791 10.872 1.00 0.00 C ATOM 751 O LEU A 51 5.470 -20.501 12.038 1.00 0.00 O ATOM 752 CB LEU A 51 7.237 -21.024 9.387 1.00 0.00 C ATOM 753 CG LEU A 51 8.302 -21.959 8.783 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.274 -21.143 7.925 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.100 -22.702 9.864 1.00 0.00 C ATOM 0 H LEU A 51 5.184 -22.090 8.288 1.00 0.00 H new ATOM 0 HA LEU A 51 6.544 -22.423 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.802 -20.420 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.721 -20.337 10.081 1.00 0.00 H new ATOM 0 HG LEU A 51 7.779 -22.699 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.027 -21.806 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.726 -20.652 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.762 -20.390 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.839 -23.349 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.607 -21.979 10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.422 -23.306 10.466 1.00 0.00 H new ATOM 767 N THR A 52 4.140 -20.283 10.233 1.00 0.00 N ATOM 768 CA THR A 52 3.199 -19.355 10.856 1.00 0.00 C ATOM 769 C THR A 52 1.808 -19.512 10.234 1.00 0.00 C ATOM 770 O THR A 52 1.662 -20.183 9.215 1.00 0.00 O ATOM 771 CB THR A 52 3.744 -17.919 10.768 1.00 0.00 C ATOM 772 OG1 THR A 52 2.984 -17.053 11.586 1.00 0.00 O ATOM 773 CG2 THR A 52 3.745 -17.378 9.335 1.00 0.00 C ATOM 0 H THR A 52 3.912 -20.508 9.264 1.00 0.00 H new ATOM 0 HA THR A 52 3.092 -19.588 11.915 1.00 0.00 H new ATOM 0 HB THR A 52 4.777 -17.957 11.115 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.343 -16.143 11.522 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.139 -16.362 9.330 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.370 -18.013 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.726 -17.374 8.947 1.00 0.00 H new ATOM 781 N SER A 53 0.792 -18.903 10.857 1.00 0.00 N ATOM 782 CA SER A 53 -0.609 -19.007 10.461 1.00 0.00 C ATOM 783 C SER A 53 -1.273 -17.625 10.504 1.00 0.00 C ATOM 784 O SER A 53 -0.770 -16.742 11.198 1.00 0.00 O ATOM 785 CB SER A 53 -1.324 -19.984 11.405 1.00 0.00 C ATOM 786 OG SER A 53 -1.435 -19.434 12.703 1.00 0.00 O ATOM 0 H SER A 53 0.931 -18.308 11.674 1.00 0.00 H new ATOM 0 HA SER A 53 -0.677 -19.382 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.316 -20.213 11.016 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.774 -20.924 11.449 1.00 0.00 H new ATOM 0 HG SER A 53 -1.895 -20.070 13.290 1.00 0.00 H new ATOM 792 N PRO A 54 -2.402 -17.417 9.800 1.00 0.00 N ATOM 793 CA PRO A 54 -3.176 -16.182 9.859 1.00 0.00 C ATOM 794 C PRO A 54 -3.473 -15.726 11.288 1.00 0.00 C ATOM 795 O PRO A 54 -3.409 -14.534 11.575 1.00 0.00 O ATOM 796 CB PRO A 54 -4.467 -16.463 9.083 1.00 0.00 C ATOM 797 CG PRO A 54 -4.030 -17.522 8.076 1.00 0.00 C ATOM 798 CD PRO A 54 -3.038 -18.354 8.886 1.00 0.00 C ATOM 0 HA PRO A 54 -2.608 -15.360 9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.260 -16.828 9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.846 -15.568 8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.871 -18.120 7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.565 -17.078 7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.546 -19.150 9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.303 -18.830 8.237 1.00 0.00 H new ATOM 806 N GLU A 55 -3.788 -16.673 12.180 1.00 0.00 N ATOM 807 CA GLU A 55 -4.087 -16.401 13.579 1.00 0.00 C ATOM 808 C GLU A 55 -2.851 -15.917 14.340 1.00 0.00 C ATOM 809 O GLU A 55 -2.961 -15.022 15.176 1.00 0.00 O ATOM 810 CB GLU A 55 -4.673 -17.653 14.239 1.00 0.00 C ATOM 811 CG GLU A 55 -6.008 -18.043 13.597 1.00 0.00 C ATOM 812 CD GLU A 55 -6.692 -19.145 14.397 1.00 0.00 C ATOM 813 OE1 GLU A 55 -6.402 -20.325 14.103 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.489 -18.787 15.291 1.00 0.00 O ATOM 0 H GLU A 55 -3.841 -17.663 11.940 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.823 -15.598 13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.968 -18.479 14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.817 -17.472 15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.659 -17.170 13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.840 -18.381 12.574 1.00 0.00 H new ATOM 821 N THR A 56 -1.677 -16.499 14.061 1.00 0.00 N ATOM 822 CA THR A 56 -0.423 -16.078 14.677 1.00 0.00 C ATOM 823 C THR A 56 -0.077 -14.653 14.238 1.00 0.00 C ATOM 824 O THR A 56 0.277 -13.816 15.065 1.00 0.00 O ATOM 825 CB THR A 56 0.702 -17.059 14.312 1.00 0.00 C ATOM 826 OG1 THR A 56 0.333 -18.374 14.671 1.00 0.00 O ATOM 827 CG2 THR A 56 2.012 -16.713 15.025 1.00 0.00 C ATOM 0 H THR A 56 -1.576 -17.272 13.403 1.00 0.00 H new ATOM 0 HA THR A 56 -0.536 -16.083 15.761 1.00 0.00 H new ATOM 0 HB THR A 56 0.857 -16.984 13.236 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.276 -18.739 13.996 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.782 -17.430 14.740 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.328 -15.709 14.740 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.861 -16.753 16.104 1.00 0.00 H new ATOM 835 N LEU A 57 -0.184 -14.385 12.931 1.00 0.00 N ATOM 836 CA LEU A 57 0.106 -13.090 12.332 1.00 0.00 C ATOM 837 C LEU A 57 -0.844 -12.021 12.876 1.00 0.00 C ATOM 838 O LEU A 57 -0.401 -10.945 13.272 1.00 0.00 O ATOM 839 CB LEU A 57 0.007 -13.208 10.805 1.00 0.00 C ATOM 840 CG LEU A 57 1.043 -14.181 10.215 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.667 -14.515 8.767 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.460 -13.608 10.274 1.00 0.00 C ATOM 0 H LEU A 57 -0.482 -15.084 12.250 1.00 0.00 H new ATOM 0 HA LEU A 57 1.119 -12.783 12.593 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.995 -13.543 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.145 -12.223 10.359 1.00 0.00 H new ATOM 0 HG LEU A 57 1.034 -15.090 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.401 -15.204 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.319 -14.979 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.651 -13.600 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.161 -14.326 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.501 -12.679 9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.729 -13.410 11.311 1.00 0.00 H new ATOM 854 N ARG A 58 -2.144 -12.333 12.919 1.00 0.00 N ATOM 855 CA ARG A 58 -3.166 -11.529 13.577 1.00 0.00 C ATOM 856 C ARG A 58 -2.742 -11.225 15.017 1.00 0.00 C ATOM 857 O ARG A 58 -2.821 -10.078 15.446 1.00 0.00 O ATOM 858 CB ARG A 58 -4.491 -12.298 13.530 1.00 0.00 C ATOM 859 CG ARG A 58 -5.641 -11.585 14.252 1.00 0.00 C ATOM 860 CD ARG A 58 -6.856 -12.508 14.357 1.00 0.00 C ATOM 861 NE ARG A 58 -6.556 -13.687 15.180 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.386 -14.721 15.389 1.00 0.00 C ATOM 863 NH1 ARG A 58 -8.623 -14.726 14.875 1.00 0.00 N ATOM 864 NH2 ARG A 58 -6.971 -15.762 16.123 1.00 0.00 N ATOM 0 H ARG A 58 -2.519 -13.176 12.484 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.293 -10.575 13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.771 -12.459 12.489 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.347 -13.282 13.977 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.320 -11.280 15.248 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.911 -10.677 13.712 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.694 -11.962 14.790 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.163 -12.825 13.360 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.641 -13.723 15.630 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.946 -13.937 14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.242 -15.519 15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.031 -15.765 16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.595 -16.552 16.287 1.00 0.00 H new ATOM 878 N GLY A 59 -2.284 -12.249 15.747 1.00 0.00 N ATOM 879 CA GLY A 59 -1.776 -12.126 17.105 1.00 0.00 C ATOM 880 C GLY A 59 -0.624 -11.125 17.206 1.00 0.00 C ATOM 881 O GLY A 59 -0.602 -10.310 18.125 1.00 0.00 O ATOM 0 H GLY A 59 -2.259 -13.206 15.395 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.585 -11.814 17.766 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.438 -13.102 17.454 1.00 0.00 H new ATOM 885 N ALA A 60 0.332 -11.179 16.271 1.00 0.00 N ATOM 886 CA ALA A 60 1.479 -10.280 16.242 1.00 0.00 C ATOM 887 C ALA A 60 1.047 -8.830 15.990 1.00 0.00 C ATOM 888 O ALA A 60 1.537 -7.918 16.650 1.00 0.00 O ATOM 889 CB ALA A 60 2.483 -10.759 15.191 1.00 0.00 C ATOM 0 H ALA A 60 0.326 -11.856 15.508 1.00 0.00 H new ATOM 0 HA ALA A 60 1.964 -10.298 17.218 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.339 -10.085 15.172 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.819 -11.765 15.441 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.007 -10.769 14.211 1.00 0.00 H new ATOM 895 N ILE A 61 0.124 -8.614 15.045 1.00 0.00 N ATOM 896 CA ILE A 61 -0.434 -7.298 14.741 1.00 0.00 C ATOM 897 C ILE A 61 -1.229 -6.772 15.948 1.00 0.00 C ATOM 898 O ILE A 61 -1.174 -5.583 16.263 1.00 0.00 O ATOM 899 CB ILE A 61 -1.288 -7.395 13.462 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.422 -7.785 12.247 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.980 -6.057 13.174 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.254 -8.377 11.104 1.00 0.00 C ATOM 0 H ILE A 61 -0.259 -9.360 14.465 1.00 0.00 H new ATOM 0 HA ILE A 61 0.363 -6.579 14.553 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.040 -8.167 13.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.112 -6.905 11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.331 -8.509 12.558 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.578 -6.145 12.267 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.626 -5.794 14.011 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.228 -5.280 13.038 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.598 -8.635 10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.767 -9.273 11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.989 -7.644 10.772 1.00 0.00 H new ATOM 914 N GLU A 62 -1.958 -7.656 16.636 1.00 0.00 N ATOM 915 CA GLU A 62 -2.697 -7.324 17.843 1.00 0.00 C ATOM 916 C GLU A 62 -1.737 -6.925 18.968 1.00 0.00 C ATOM 917 O GLU A 62 -2.009 -5.973 19.695 1.00 0.00 O ATOM 918 CB GLU A 62 -3.598 -8.505 18.226 1.00 0.00 C ATOM 919 CG GLU A 62 -4.561 -8.152 19.362 1.00 0.00 C ATOM 920 CD GLU A 62 -5.528 -9.303 19.621 1.00 0.00 C ATOM 921 OE1 GLU A 62 -5.151 -10.197 20.409 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.625 -9.273 19.022 1.00 0.00 O ATOM 0 H GLU A 62 -2.048 -8.634 16.361 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.338 -6.461 17.663 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.169 -8.822 17.353 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.979 -9.350 18.526 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.998 -7.932 20.269 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.119 -7.251 19.107 1.00 0.00 H new ATOM 929 N ASP A 63 -0.611 -7.640 19.098 1.00 0.00 N ATOM 930 CA ASP A 63 0.440 -7.337 20.061 1.00 0.00 C ATOM 931 C ASP A 63 1.066 -5.968 19.773 1.00 0.00 C ATOM 932 O ASP A 63 1.292 -5.197 20.704 1.00 0.00 O ATOM 933 CB ASP A 63 1.490 -8.455 20.052 1.00 0.00 C ATOM 934 CG ASP A 63 2.595 -8.194 21.072 1.00 0.00 C ATOM 935 OD1 ASP A 63 2.347 -8.480 22.264 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.666 -7.712 20.643 1.00 0.00 O ATOM 0 H ASP A 63 -0.408 -8.458 18.524 1.00 0.00 H new ATOM 0 HA ASP A 63 0.006 -7.286 21.059 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.009 -9.409 20.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.925 -8.539 19.056 1.00 0.00 H new ATOM 941 N MET A 64 1.329 -5.661 18.494 1.00 0.00 N ATOM 942 CA MET A 64 1.774 -4.338 18.064 1.00 0.00 C ATOM 943 C MET A 64 0.775 -3.261 18.507 1.00 0.00 C ATOM 944 O MET A 64 1.194 -2.189 18.939 1.00 0.00 O ATOM 945 CB MET A 64 1.990 -4.308 16.545 1.00 0.00 C ATOM 946 CG MET A 64 3.285 -5.008 16.120 1.00 0.00 C ATOM 947 SD MET A 64 4.810 -4.101 16.505 1.00 0.00 S ATOM 948 CE MET A 64 4.750 -2.799 15.244 1.00 0.00 C ATOM 0 H MET A 64 1.237 -6.330 17.730 1.00 0.00 H new ATOM 0 HA MET A 64 2.730 -4.122 18.541 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.144 -4.787 16.052 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.013 -3.273 16.205 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.328 -5.984 16.604 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.248 -5.187 15.045 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.672 -2.218 15.276 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.640 -3.252 14.259 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.901 -2.143 15.438 1.00 0.00 H new ATOM 958 N GLY A 65 -0.530 -3.556 18.421 1.00 0.00 N ATOM 959 CA GLY A 65 -1.587 -2.739 19.002 1.00 0.00 C ATOM 960 C GLY A 65 -2.542 -2.206 17.943 1.00 0.00 C ATOM 961 O GLY A 65 -2.713 -0.993 17.825 1.00 0.00 O ATOM 0 H GLY A 65 -0.879 -4.383 17.937 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.144 -3.330 19.729 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.143 -1.904 19.544 1.00 0.00 H new ATOM 965 N PHE A 66 -3.171 -3.112 17.184 1.00 0.00 N ATOM 966 CA PHE A 66 -4.179 -2.777 16.185 1.00 0.00 C ATOM 967 C PHE A 66 -5.305 -3.806 16.216 1.00 0.00 C ATOM 968 O PHE A 66 -5.092 -4.946 16.626 1.00 0.00 O ATOM 969 CB PHE A 66 -3.539 -2.719 14.794 1.00 0.00 C ATOM 970 CG PHE A 66 -2.386 -1.745 14.694 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.658 -0.368 14.610 1.00 0.00 C ATOM 972 CD2 PHE A 66 -1.063 -2.190 14.887 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.617 0.564 14.736 1.00 0.00 C ATOM 974 CE2 PHE A 66 -0.022 -1.254 15.012 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.300 0.122 14.951 1.00 0.00 C ATOM 0 H PHE A 66 -2.987 -4.113 17.252 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.598 -1.797 16.414 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.186 -3.715 14.525 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.301 -2.443 14.065 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.670 -0.027 14.448 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.850 -3.247 14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.827 1.621 14.668 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.993 -1.593 15.155 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.498 0.840 15.069 1.00 0.00 H new ATOM 985 N ASP A 67 -6.501 -3.406 15.771 1.00 0.00 N ATOM 986 CA ASP A 67 -7.642 -4.301 15.669 1.00 0.00 C ATOM 987 C ASP A 67 -7.462 -5.173 14.426 1.00 0.00 C ATOM 988 O ASP A 67 -7.825 -4.766 13.323 1.00 0.00 O ATOM 989 CB ASP A 67 -8.937 -3.482 15.634 1.00 0.00 C ATOM 990 CG ASP A 67 -10.159 -4.358 15.362 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.371 -5.302 16.154 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.860 -4.070 14.367 1.00 0.00 O ATOM 0 H ASP A 67 -6.698 -2.451 15.473 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.707 -4.958 16.536 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.065 -2.965 16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.861 -2.716 14.863 1.00 0.00 H new ATOM 997 N ALA A 68 -6.890 -6.366 14.628 1.00 0.00 N ATOM 998 CA ALA A 68 -6.547 -7.313 13.579 1.00 0.00 C ATOM 999 C ALA A 68 -7.624 -8.393 13.494 1.00 0.00 C ATOM 1000 O ALA A 68 -7.913 -9.053 14.492 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.185 -7.931 13.894 1.00 0.00 C ATOM 0 H ALA A 68 -6.648 -6.703 15.560 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.492 -6.805 12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.919 -8.643 13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.431 -7.145 13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.232 -8.446 14.853 1.00 0.00 H new ATOM 1007 N THR A 69 -8.215 -8.568 12.306 1.00 0.00 N ATOM 1008 CA THR A 69 -9.268 -9.542 12.045 1.00 0.00 C ATOM 1009 C THR A 69 -9.060 -10.144 10.656 1.00 0.00 C ATOM 1010 O THR A 69 -8.655 -9.432 9.739 1.00 0.00 O ATOM 1011 CB THR A 69 -10.643 -8.857 12.124 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.692 -7.757 11.238 1.00 0.00 O ATOM 1013 CG2 THR A 69 -10.972 -8.370 13.539 1.00 0.00 C ATOM 0 H THR A 69 -7.964 -8.020 11.483 1.00 0.00 H new ATOM 0 HA THR A 69 -9.229 -10.334 12.792 1.00 0.00 H new ATOM 0 HB THR A 69 -11.384 -9.605 11.842 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.572 -7.330 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.953 -7.894 13.541 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.979 -9.218 14.223 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.219 -7.651 13.861 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.352 -11.439 10.484 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.280 -12.082 9.177 1.00 0.00 C ATOM 1023 C LEU A 70 -10.397 -11.517 8.299 1.00 0.00 C ATOM 1024 O LEU A 70 -11.538 -11.415 8.750 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.422 -13.612 9.279 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.373 -14.368 10.118 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -6.962 -13.782 10.004 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -8.785 -14.501 11.588 1.00 0.00 C ATOM 0 H LEU A 70 -9.641 -12.060 11.240 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.302 -11.877 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.406 -13.832 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.403 -14.020 8.268 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.337 -15.368 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.276 -14.363 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.636 -13.818 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.969 -12.747 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.012 -15.041 12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.911 -13.509 12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.726 -15.048 11.654 1.00 0.00 H new ATOM 1040 N SER A 71 -10.077 -11.146 7.054 1.00 0.00 N ATOM 1041 CA SER A 71 -11.060 -10.611 6.120 1.00 0.00 C ATOM 1042 C SER A 71 -12.050 -11.695 5.691 1.00 0.00 C ATOM 1043 O SER A 71 -13.248 -11.433 5.600 1.00 0.00 O ATOM 1044 CB SER A 71 -10.349 -10.005 4.906 1.00 0.00 C ATOM 1045 OG SER A 71 -11.255 -9.239 4.141 1.00 0.00 O ATOM 0 H SER A 71 -9.133 -11.210 6.672 1.00 0.00 H new ATOM 0 HA SER A 71 -11.627 -9.825 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.521 -9.378 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.923 -10.798 4.292 1.00 0.00 H new ATOM 0 HG SER A 71 -10.789 -8.856 3.369 1.00 0.00 H new ATOM 1051 N ASP A 72 -11.543 -12.905 5.423 1.00 0.00 N ATOM 1052 CA ASP A 72 -12.327 -14.061 5.021 1.00 0.00 C ATOM 1053 C ASP A 72 -11.549 -15.326 5.385 1.00 0.00 C ATOM 1054 O ASP A 72 -12.213 -16.320 5.751 1.00 0.00 O ATOM 1055 CB ASP A 72 -12.608 -13.996 3.514 1.00 0.00 C ATOM 1056 CG ASP A 72 -13.451 -15.179 3.044 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -14.658 -15.181 3.371 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.877 -16.058 2.364 1.00 0.00 O ATOM 1059 OXT ASP A 72 -10.302 -15.274 5.292 1.00 0.00 O ATOM 0 H ASP A 72 -10.544 -13.104 5.484 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.286 -14.073 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.125 -13.065 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.664 -13.982 2.968 1.00 0.00 H new TER 1064 ASP A 72